FMO DATABASE

FMODB ID: 167YZ

Calculation Name: 4WVM-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4WVM

Chain ID: A

ChEMBL ID:

UniProt ID: Q98989

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	625
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-12503509.894118
FMO2-HF: Nuclear repulsion	12253678.067773
FMO2-HF: Total energy	-249831.826344
FMO2-MP2: Total energy	-250564.986676

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

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

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

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

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.
-168.841	-157.615	8.658	-9.141	-10.743	0.079

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

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -1 / q_Mulliken : -0.864 / q_NPA : -0.955

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

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

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

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

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	6	VAL	0	0.001	0.008	3.457	-8.046	-5.223	0.051	-1.254	-1.621	0.003
4	A	7	MET	0	-0.026	0.010	4.618	-10.693	-10.665	0.000	-0.029	0.001	0.000
5	A	8	PRO	0	0.001	0.003	8.208	0.899	0.899	0.000	0.000	0.000	0.000
6	A	9	ALA	0	-0.041	-0.015	11.493	0.018	0.018	0.000	0.000	0.000	0.000
7	A	10	LEU	0	0.021	0.003	12.804	-1.716	-1.716	0.000	0.000	0.000	0.000
8	A	11	GLY	0	0.045	0.032	15.942	0.470	0.470	0.000	0.000	0.000	0.000
9	A	12	ARG	1	0.814	0.907	13.115	-22.363	-22.363	0.000	0.000	0.000	0.000
10	A	13	PRO	0	0.014	0.006	16.279	1.129	1.129	0.000	0.000	0.000	0.000
11	A	14	PHE	0	0.053	-0.005	11.640	0.603	0.603	0.000	0.000	0.000	0.000
12	A	15	THR	0	0.024	0.001	13.741	-0.982	-0.982	0.000	0.000	0.000	0.000
13	A	16	LEU	0	-0.005	-0.009	10.473	1.016	1.016	0.000	0.000	0.000	0.000
14	A	17	GLY	0	0.041	0.020	10.953	-2.013	-2.013	0.000	0.000	0.000	0.000
15	A	18	MET	0	-0.099	-0.015	12.439	-0.961	-0.961	0.000	0.000	0.000	0.000
16	A	19	LEU	0	0.066	0.036	11.170	2.794	2.794	0.000	0.000	0.000	0.000
17	A	20	TYR	0	-0.007	-0.030	8.643	-1.889	-1.889	0.000	0.000	0.000	0.000
18	A	21	ASP	-1	-0.786	-0.891	11.286	19.406	19.406	0.000	0.000	0.000	0.000
19	A	22	ALA	0	0.025	0.020	11.677	1.332	1.332	0.000	0.000	0.000	0.000
20	A	23	ARG	1	0.894	0.945	12.637	-15.497	-15.497	0.000	0.000	0.000	0.000
21	A	24	ARG	1	0.822	0.910	9.176	-28.151	-28.151	0.000	0.000	0.000	0.000
22	A	25	GLU	-1	-0.771	-0.854	14.345	17.174	17.174	0.000	0.000	0.000	0.000
23	A	26	LYS	1	0.814	0.888	14.127	-17.150	-17.150	0.000	0.000	0.000	0.000
24	A	27	LEU	0	-0.006	0.003	14.833	-1.320	-1.320	0.000	0.000	0.000	0.000
25	A	28	ILE	0	0.016	0.003	16.040	0.661	0.661	0.000	0.000	0.000	0.000
26	A	44	SER	0	0.011	0.005	13.095	-0.417	-0.417	0.000	0.000	0.000	0.000
27	A	45	SER	0	-0.019	-0.020	13.765	1.581	1.581	0.000	0.000	0.000	0.000
28	A	46	ASN	0	0.017	0.011	13.275	-0.443	-0.443	0.000	0.000	0.000	0.000
29	A	47	ALA	0	-0.008	-0.009	15.855	0.851	0.851	0.000	0.000	0.000	0.000
30	A	48	GLN	0	-0.023	-0.012	13.695	1.048	1.048	0.000	0.000	0.000	0.000
31	A	49	ARG	1	0.926	0.963	18.240	-14.201	-14.201	0.000	0.000	0.000	0.000
32	A	50	SER	0	0.009	0.008	19.860	-0.321	-0.321	0.000	0.000	0.000	0.000
33	A	51	SER	0	-0.011	-0.025	21.724	0.009	0.009	0.000	0.000	0.000	0.000
34	A	52	GLU	-1	-0.795	-0.843	19.624	15.848	15.848	0.000	0.000	0.000	0.000
35	A	53	PHE	0	0.020	0.003	24.096	0.157	0.157	0.000	0.000	0.000	0.000
36	A	54	LYS	1	0.877	0.937	20.281	-15.238	-15.238	0.000	0.000	0.000	0.000
37	A	55	ILE	0	0.036	0.025	24.974	-0.159	-0.159	0.000	0.000	0.000	0.000
38	A	56	VAL	0	-0.035	-0.018	24.758	0.297	0.297	0.000	0.000	0.000	0.000
39	A	57	ALA	0	0.059	0.036	27.534	-0.257	-0.257	0.000	0.000	0.000	0.000
40	A	58	SER	0	0.055	0.025	28.368	-0.299	-0.299	0.000	0.000	0.000	0.000
41	A	59	ASP	-1	-0.735	-0.844	27.691	11.783	11.783	0.000	0.000	0.000	0.000
42	A	60	SER	0	0.004	0.002	27.293	0.206	0.206	0.000	0.000	0.000	0.000
43	A	61	THR	0	0.067	0.020	23.879	0.318	0.318	0.000	0.000	0.000	0.000
44	A	62	GLU	-1	-0.776	-0.848	21.974	13.934	13.934	0.000	0.000	0.000	0.000
45	A	63	SER	0	0.001	0.015	21.899	0.581	0.581	0.000	0.000	0.000	0.000
46	A	64	LYS	1	0.782	0.882	22.749	-11.660	-11.660	0.000	0.000	0.000	0.000
47	A	65	SER	0	-0.012	-0.019	18.342	0.720	0.720	0.000	0.000	0.000	0.000
48	A	66	SER	0	-0.010	-0.010	17.937	1.166	1.166	0.000	0.000	0.000	0.000
49	A	67	ALA	0	-0.046	-0.005	19.709	0.164	0.164	0.000	0.000	0.000	0.000
50	A	68	MET	0	-0.036	-0.013	17.364	-0.333	-0.333	0.000	0.000	0.000	0.000
51	A	69	ASP	-1	-0.843	-0.896	12.911	23.867	23.867	0.000	0.000	0.000	0.000
52	A	70	ILE	0	-0.037	-0.019	12.945	2.000	2.000	0.000	0.000	0.000	0.000
53	A	71	GLU	-1	-0.794	-0.890	10.588	22.547	22.547	0.000	0.000	0.000	0.000
54	A	72	ALA	0	0.008	-0.001	13.426	-0.960	-0.960	0.000	0.000	0.000	0.000
55	A	73	SER	0	-0.015	-0.021	12.159	-1.102	-1.102	0.000	0.000	0.000	0.000
56	A	74	LEU	0	-0.017	0.010	12.102	-0.621	-0.621	0.000	0.000	0.000	0.000
57	A	75	GLY	0	0.052	0.026	14.618	-1.104	-1.104	0.000	0.000	0.000	0.000
58	A	76	VAL	0	-0.005	-0.015	17.953	-0.939	-0.939	0.000	0.000	0.000	0.000
59	A	77	SER	0	0.003	-0.012	16.164	-0.793	-0.793	0.000	0.000	0.000	0.000
60	A	78	PHE	0	-0.024	-0.009	18.605	-0.636	-0.636	0.000	0.000	0.000	0.000
61	A	79	LEU	0	-0.018	-0.009	20.228	-0.747	-0.747	0.000	0.000	0.000	0.000
62	A	80	GLY	0	-0.005	-0.005	22.208	-0.691	-0.691	0.000	0.000	0.000	0.000
63	A	81	GLY	0	0.004	0.011	22.567	-0.517	-0.517	0.000	0.000	0.000	0.000
64	A	82	LEU	0	-0.083	-0.039	19.081	-0.146	-0.146	0.000	0.000	0.000	0.000
65	A	83	VAL	0	-0.042	-0.017	15.802	0.840	0.840	0.000	0.000	0.000	0.000
66	A	84	GLU	-1	-0.786	-0.885	18.931	13.847	13.847	0.000	0.000	0.000	0.000
67	A	85	VAL	0	-0.036	-0.033	18.578	1.137	1.137	0.000	0.000	0.000	0.000
68	A	86	GLY	0	0.024	0.019	20.363	-0.791	-0.791	0.000	0.000	0.000	0.000
69	A	87	GLY	0	0.017	0.004	21.178	0.456	0.456	0.000	0.000	0.000	0.000
70	A	88	SER	0	-0.040	-0.042	20.185	-0.300	-0.300	0.000	0.000	0.000	0.000
71	A	89	ALA	0	-0.002	-0.010	18.966	-0.326	-0.326	0.000	0.000	0.000	0.000
72	A	90	LYS	1	0.865	0.932	21.049	-13.540	-13.540	0.000	0.000	0.000	0.000
73	A	91	TYR	0	-0.026	-0.032	23.171	-0.449	-0.449	0.000	0.000	0.000	0.000
74	A	92	LEU	0	-0.022	-0.016	19.225	-0.322	-0.322	0.000	0.000	0.000	0.000
75	A	93	ASN	0	0.000	-0.008	23.933	0.009	0.009	0.000	0.000	0.000	0.000
76	A	94	ASN	0	0.003	0.017	26.889	-0.645	-0.645	0.000	0.000	0.000	0.000
77	A	95	THR	0	-0.011	-0.002	28.664	0.135	0.135	0.000	0.000	0.000	0.000
78	A	96	LYS	1	0.830	0.915	30.885	-9.161	-9.161	0.000	0.000	0.000	0.000
79	A	97	LYS	1	0.927	0.975	34.160	-7.774	-7.774	0.000	0.000	0.000	0.000
80	A	98	TYR	0	-0.029	-0.037	36.936	-0.059	-0.059	0.000	0.000	0.000	0.000
81	A	99	GLN	0	-0.022	-0.040	37.026	0.493	0.493	0.000	0.000	0.000	0.000
82	A	100	ASN	0	0.001	-0.006	39.044	0.186	0.186	0.000	0.000	0.000	0.000
83	A	101	GLN	0	0.014	0.041	36.968	-0.091	-0.091	0.000	0.000	0.000	0.000
84	A	102	SER	0	-0.027	-0.049	37.250	0.343	0.343	0.000	0.000	0.000	0.000
85	A	103	ARG	1	0.689	0.794	30.836	-10.067	-10.067	0.000	0.000	0.000	0.000
86	A	104	VAL	0	-0.003	0.015	31.585	0.206	0.206	0.000	0.000	0.000	0.000
87	A	105	THR	0	-0.008	-0.012	26.799	-0.237	-0.237	0.000	0.000	0.000	0.000
88	A	106	LEU	0	0.019	0.026	28.171	0.288	0.288	0.000	0.000	0.000	0.000
89	A	107	LYS	1	0.808	0.909	18.524	-16.866	-16.866	0.000	0.000	0.000	0.000
90	A	108	TYR	0	0.034	0.008	24.985	-0.071	-0.071	0.000	0.000	0.000	0.000
91	A	109	LYS	1	0.842	0.882	16.933	-17.407	-17.407	0.000	0.000	0.000	0.000
92	A	110	ALA	0	0.068	0.052	20.974	-0.259	-0.259	0.000	0.000	0.000	0.000
93	A	111	THR	0	-0.035	-0.017	15.159	0.816	0.816	0.000	0.000	0.000	0.000
94	A	112	THR	0	-0.008	-0.036	17.416	-1.108	-1.108	0.000	0.000	0.000	0.000
95	A	113	VAL	0	0.012	-0.015	16.207	-0.737	-0.737	0.000	0.000	0.000	0.000
96	A	114	TYR	0	0.005	0.034	6.268	-0.758	-0.758	0.000	0.000	0.000	0.000
97	A	115	LYS	1	0.922	0.954	12.030	-20.958	-20.958	0.000	0.000	0.000	0.000
98	A	116	GLN	0	-0.003	-0.008	9.289	5.186	5.186	0.000	0.000	0.000	0.000
99	A	117	PHE	0	0.017	0.023	9.715	-0.922	-0.922	0.000	0.000	0.000	0.000
100	A	138	THR	0	-0.063	-0.038	9.441	-1.033	-1.033	0.000	0.000	0.000	0.000
101	A	139	HIS	0	0.015	-0.006	4.787	-0.948	-0.877	-0.001	-0.004	-0.066	0.000
102	A	140	VAL	0	0.040	0.021	6.771	-3.937	-3.937	0.000	0.000	0.000	0.000
103	A	141	VAL	0	-0.055	-0.016	6.558	6.332	6.332	0.000	0.000	0.000	0.000
104	A	142	THR	0	0.036	0.025	4.597	-4.097	-4.046	-0.001	-0.009	-0.040	0.000
105	A	143	SER	0	0.010	-0.007	6.030	-3.155	-3.155	0.000	0.000	0.000	0.000
106	A	144	ILE	0	-0.006	-0.002	7.245	2.973	2.973	0.000	0.000	0.000	0.000
107	A	145	LEU	0	-0.033	0.011	9.872	-1.951	-1.951	0.000	0.000	0.000	0.000
108	A	146	TYR	0	0.026	-0.014	11.979	-0.229	-0.229	0.000	0.000	0.000	0.000
109	A	147	GLY	0	0.012	0.003	15.467	-0.421	-0.421	0.000	0.000	0.000	0.000
110	A	148	ALA	0	0.015	0.034	18.038	-0.050	-0.050	0.000	0.000	0.000	0.000
111	A	149	ASN	0	-0.045	-0.055	18.980	0.130	0.130	0.000	0.000	0.000	0.000
112	A	150	ALA	0	0.012	-0.002	21.457	-0.215	-0.215	0.000	0.000	0.000	0.000
113	A	151	PHE	0	-0.019	-0.018	20.731	0.216	0.216	0.000	0.000	0.000	0.000
114	A	152	PHE	0	0.056	0.020	26.441	-0.260	-0.260	0.000	0.000	0.000	0.000
115	A	153	VAL	0	-0.044	-0.021	28.577	-0.045	-0.045	0.000	0.000	0.000	0.000
116	A	154	SER	0	0.016	0.008	30.924	-0.307	-0.307	0.000	0.000	0.000	0.000
117	A	155	ASP	-1	-0.830	-0.886	34.423	9.515	9.515	0.000	0.000	0.000	0.000
118	A	156	SER	0	0.021	-0.018	36.948	-0.217	-0.217	0.000	0.000	0.000	0.000
119	A	157	ASP	-1	-0.828	-0.925	40.284	7.191	7.191	0.000	0.000	0.000	0.000
120	A	158	LYS	1	0.785	0.864	42.969	-7.013	-7.013	0.000	0.000	0.000	0.000
121	A	159	VAL	0	-0.016	0.016	44.169	-0.015	-0.015	0.000	0.000	0.000	0.000
122	A	160	GLU	-1	-0.722	-0.795	41.157	8.091	8.091	0.000	0.000	0.000	0.000
123	A	161	ASP	-1	-0.815	-0.919	45.619	6.597	6.597	0.000	0.000	0.000	0.000
124	A	162	THR	0	-0.039	-0.031	47.506	-0.024	-0.024	0.000	0.000	0.000	0.000
125	A	163	ASN	0	-0.104	-0.044	45.596	-0.098	-0.098	0.000	0.000	0.000	0.000
126	A	164	LEU	0	-0.026	-0.016	46.912	0.097	0.097	0.000	0.000	0.000	0.000
127	A	165	GLN	0	-0.018	-0.007	46.165	0.084	0.084	0.000	0.000	0.000	0.000
128	A	166	ASP	-1	-0.794	-0.902	39.665	8.253	8.253	0.000	0.000	0.000	0.000
129	A	167	ILE	0	0.057	0.038	40.674	0.065	0.065	0.000	0.000	0.000	0.000
130	A	168	GLN	0	-0.023	-0.027	33.538	-0.004	-0.004	0.000	0.000	0.000	0.000
131	A	169	GLY	0	-0.017	-0.025	37.101	0.227	0.227	0.000	0.000	0.000	0.000
132	A	170	LYS	1	0.832	0.893	38.481	-7.123	-7.123	0.000	0.000	0.000	0.000
133	A	171	MET	0	-0.022	0.014	36.285	0.000	0.000	0.000	0.000	0.000	0.000
134	A	172	GLU	-1	-0.858	-0.915	33.440	9.787	9.787	0.000	0.000	0.000	0.000
135	A	173	ALA	0	0.028	0.023	35.302	0.154	0.154	0.000	0.000	0.000	0.000
136	A	174	ALA	0	0.013	0.018	37.779	-0.063	-0.063	0.000	0.000	0.000	0.000
137	A	175	ILE	0	-0.011	-0.017	32.428	0.096	0.096	0.000	0.000	0.000	0.000
138	A	176	LYS	1	0.802	0.866	32.079	-9.486	-9.486	0.000	0.000	0.000	0.000
139	A	177	LYS	1	0.848	0.911	33.989	-8.074	-8.074	0.000	0.000	0.000	0.000
140	A	178	ILE	0	-0.010	0.012	33.105	-0.056	-0.056	0.000	0.000	0.000	0.000
141	A	179	PRO	0	-0.071	-0.040	30.322	-0.038	-0.038	0.000	0.000	0.000	0.000
142	A	180	THR	0	-0.062	-0.018	32.441	0.117	0.117	0.000	0.000	0.000	0.000
143	A	181	ILE	0	-0.018	0.001	35.388	-0.293	-0.293	0.000	0.000	0.000	0.000
144	A	182	SER	0	0.027	0.010	37.307	0.184	0.184	0.000	0.000	0.000	0.000
145	A	183	ILE	0	-0.061	-0.029	39.400	-0.371	-0.371	0.000	0.000	0.000	0.000
146	A	191	LEU	0	-0.022	-0.008	41.459	0.099	0.099	0.000	0.000	0.000	0.000
147	A	192	THR	0	-0.043	-0.046	44.548	-0.193	-0.193	0.000	0.000	0.000	0.000
148	A	193	ASP	-1	-0.867	-0.938	47.087	6.491	6.491	0.000	0.000	0.000	0.000
149	A	194	GLU	-1	-0.868	-0.915	47.527	6.916	6.916	0.000	0.000	0.000	0.000
150	A	195	GLU	-1	-0.780	-0.857	42.402	7.746	7.746	0.000	0.000	0.000	0.000
151	A	196	LYS	1	0.896	0.934	44.106	-6.920	-6.920	0.000	0.000	0.000	0.000
152	A	197	SER	0	-0.045	-0.034	45.878	0.000	0.000	0.000	0.000	0.000	0.000
153	A	198	LEU	0	0.046	0.022	40.913	0.034	0.034	0.000	0.000	0.000	0.000
154	A	199	ALA	0	-0.016	-0.014	41.567	0.107	0.107	0.000	0.000	0.000	0.000
155	A	200	SER	0	-0.076	-0.040	42.468	0.073	0.073	0.000	0.000	0.000	0.000
156	A	201	ASN	0	-0.075	-0.042	44.315	-0.158	-0.158	0.000	0.000	0.000	0.000
157	A	202	LEU	0	-0.038	-0.001	38.088	0.107	0.107	0.000	0.000	0.000	0.000
158	A	203	SER	0	-0.008	0.009	38.565	-0.022	-0.022	0.000	0.000	0.000	0.000
159	A	204	CYS	0	-0.035	-0.023	34.300	0.354	0.354	0.000	0.000	0.000	0.000
160	A	205	LYS	1	0.907	0.945	30.831	-10.455	-10.455	0.000	0.000	0.000	0.000
161	A	206	PHE	0	0.057	0.027	27.749	0.371	0.371	0.000	0.000	0.000	0.000
162	A	207	HIS	0	-0.003	0.005	26.070	-0.316	-0.316	0.000	0.000	0.000	0.000
163	A	208	GLY	0	0.041	0.010	24.067	0.206	0.206	0.000	0.000	0.000	0.000
164	A	209	ASP	-1	-0.807	-0.855	20.265	15.821	15.821	0.000	0.000	0.000	0.000
165	A	210	PHE	0	0.016	0.008	23.135	0.219	0.219	0.000	0.000	0.000	0.000
166	A	211	LEU	0	-0.032	-0.013	26.532	-0.158	-0.158	0.000	0.000	0.000	0.000
167	A	212	LEU	0	-0.017	-0.007	29.725	0.114	0.114	0.000	0.000	0.000	0.000
168	A	213	GLU	-1	-0.880	-0.939	32.914	9.210	9.210	0.000	0.000	0.000	0.000
169	A	214	SER	0	-0.026	-0.014	35.921	-0.292	-0.292	0.000	0.000	0.000	0.000
170	A	215	LEU	0	-0.003	-0.010	32.455	0.370	0.370	0.000	0.000	0.000	0.000
171	A	216	PRO	0	-0.054	-0.017	33.592	-0.232	-0.232	0.000	0.000	0.000	0.000
172	A	217	THR	0	0.016	0.004	35.903	0.157	0.157	0.000	0.000	0.000	0.000
173	A	218	THR	0	-0.016	-0.019	38.503	-0.066	-0.066	0.000	0.000	0.000	0.000
174	A	219	PHE	0	0.064	0.022	38.125	0.230	0.230	0.000	0.000	0.000	0.000
175	A	220	GLU	-1	-0.806	-0.916	38.281	7.513	7.513	0.000	0.000	0.000	0.000
176	A	221	ASP	-1	-0.783	-0.862	38.411	8.103	8.103	0.000	0.000	0.000	0.000
177	A	222	ALA	0	0.037	0.026	34.138	0.243	0.243	0.000	0.000	0.000	0.000
178	A	223	VAL	0	0.002	0.014	34.449	0.262	0.262	0.000	0.000	0.000	0.000
179	A	224	LYS	1	0.842	0.915	35.860	-7.691	-7.691	0.000	0.000	0.000	0.000
180	A	225	THR	0	0.013	-0.005	31.860	0.090	0.090	0.000	0.000	0.000	0.000
181	A	226	TYR	0	0.002	-0.009	28.475	0.490	0.490	0.000	0.000	0.000	0.000
182	A	227	GLN	0	-0.043	-0.021	31.645	0.173	0.173	0.000	0.000	0.000	0.000
183	A	228	THR	0	0.000	0.013	33.292	-0.009	-0.009	0.000	0.000	0.000	0.000
184	A	229	LEU	0	-0.016	-0.011	27.627	0.198	0.198	0.000	0.000	0.000	0.000
185	A	230	PRO	0	-0.048	-0.012	27.349	0.400	0.400	0.000	0.000	0.000	0.000
186	A	231	THR	0	-0.091	-0.037	28.436	0.240	0.240	0.000	0.000	0.000	0.000
187	A	239	ASN	0	0.006	0.001	23.339	0.113	0.113	0.000	0.000	0.000	0.000
188	A	240	SER	0	-0.020	-0.016	19.847	0.043	0.043	0.000	0.000	0.000	0.000
189	A	241	VAL	0	0.025	0.017	17.917	0.058	0.058	0.000	0.000	0.000	0.000
190	A	242	PRO	0	-0.045	-0.019	12.884	0.532	0.532	0.000	0.000	0.000	0.000
191	A	243	MET	0	0.010	0.015	13.692	-1.260	-1.260	0.000	0.000	0.000	0.000
192	A	244	LYS	1	0.825	0.897	8.571	-29.739	-29.739	0.000	0.000	0.000	0.000
193	A	245	VAL	0	0.027	0.018	7.537	-1.110	-1.110	0.000	0.000	0.000	0.000
194	A	246	TRP	0	0.015	0.004	2.281	-20.409	-15.018	2.771	-3.801	-4.361	0.054
195	A	247	LEU	0	-0.012	-0.012	2.102	-22.618	-21.668	3.642	-2.036	-2.556	0.032
196	A	248	ALA	0	0.044	0.037	2.498	4.301	5.824	2.168	-1.886	-1.805	-0.011
197	A	249	PRO	0	0.005	0.003	3.566	-8.608	-8.219	0.028	-0.122	-0.295	0.001
198	A	265	ASN	0	0.068	0.040	16.489	1.227	1.227	0.000	0.000	0.000	0.000
199	A	266	VAL	0	0.054	0.012	17.431	-0.367	-0.367	0.000	0.000	0.000	0.000
200	A	267	SER	0	0.000	-0.009	19.027	-0.299	-0.299	0.000	0.000	0.000	0.000
201	A	268	LYS	1	0.832	0.923	21.713	-12.096	-12.096	0.000	0.000	0.000	0.000
202	A	269	VAL	0	0.018	0.028	18.192	-0.362	-0.362	0.000	0.000	0.000	0.000
203	A	270	ARG	1	0.922	0.926	21.557	-13.184	-13.184	0.000	0.000	0.000	0.000
204	A	271	ARG	1	0.926	0.986	24.478	-11.084	-11.084	0.000	0.000	0.000	0.000
205	A	272	ILE	0	0.028	0.022	24.123	-0.441	-0.441	0.000	0.000	0.000	0.000
206	A	273	HIS	0	-0.016	-0.022	20.856	-0.021	-0.021	0.000	0.000	0.000	0.000
207	A	274	THR	0	0.017	-0.004	26.167	-0.382	-0.382	0.000	0.000	0.000	0.000
208	A	275	THR	0	-0.030	-0.024	29.393	-0.476	-0.476	0.000	0.000	0.000	0.000
209	A	276	LEU	0	0.042	0.011	26.479	-0.319	-0.319	0.000	0.000	0.000	0.000
210	A	277	GLU	-1	-0.863	-0.906	29.260	10.492	10.492	0.000	0.000	0.000	0.000
211	A	278	GLU	-1	-0.819	-0.893	30.984	8.621	8.621	0.000	0.000	0.000	0.000
212	A	279	LEU	0	-0.003	0.007	32.470	-0.271	-0.271	0.000	0.000	0.000	0.000
213	A	280	HIS	0	0.007	-0.027	30.179	-0.225	-0.225	0.000	0.000	0.000	0.000
214	A	281	LYS	1	0.799	0.893	32.778	-9.816	-9.816	0.000	0.000	0.000	0.000
215	A	282	LEU	0	0.017	0.016	36.542	-0.194	-0.194	0.000	0.000	0.000	0.000
216	A	283	LYS	1	0.881	0.948	33.219	-9.729	-9.729	0.000	0.000	0.000	0.000
217	A	284	ARG	1	0.892	0.949	32.135	-9.672	-9.672	0.000	0.000	0.000	0.000
218	A	285	ARG	1	0.736	0.832	38.749	-7.272	-7.272	0.000	0.000	0.000	0.000
219	A	286	ALA	0	0.037	0.016	41.589	-0.202	-0.202	0.000	0.000	0.000	0.000
220	A	287	ASN	0	-0.064	-0.043	38.584	0.057	0.057	0.000	0.000	0.000	0.000
221	A	288	GLU	-1	-0.793	-0.906	41.873	7.585	7.585	0.000	0.000	0.000	0.000
222	A	289	ALA	0	-0.013	0.002	44.253	-0.180	-0.180	0.000	0.000	0.000	0.000
223	A	290	MET	0	-0.024	0.003	45.198	-0.221	-0.221	0.000	0.000	0.000	0.000
224	A	291	ASP	-1	-0.808	-0.856	45.578	6.966	6.966	0.000	0.000	0.000	0.000
225	A	292	VAL	0	-0.009	0.007	47.484	-0.155	-0.155	0.000	0.000	0.000	0.000
226	A	293	LYS	1	0.930	0.934	51.097	-5.659	-5.659	0.000	0.000	0.000	0.000
227	A	294	LEU	0	-0.040	-0.012	53.979	-0.079	-0.079	0.000	0.000	0.000	0.000
228	A	295	VAL	0	0.047	0.033	50.240	-0.089	-0.089	0.000	0.000	0.000	0.000
229	A	296	GLN	0	-0.023	-0.025	49.341	-0.081	-0.081	0.000	0.000	0.000	0.000
230	A	297	ARG	1	0.769	0.879	53.763	-5.588	-5.588	0.000	0.000	0.000	0.000
231	A	298	ILE	0	-0.004	0.002	56.285	-0.137	-0.137	0.000	0.000	0.000	0.000
232	A	299	PRO	0	0.088	0.054	55.078	0.105	0.105	0.000	0.000	0.000	0.000
233	A	300	LEU	0	0.004	0.001	54.660	0.084	0.084	0.000	0.000	0.000	0.000
234	A	301	ILE	0	-0.037	-0.017	52.883	0.041	0.041	0.000	0.000	0.000	0.000
235	A	302	HIS	0	0.000	-0.012	49.132	0.206	0.206	0.000	0.000	0.000	0.000
236	A	303	ASP	-1	-0.859	-0.942	49.906	6.321	6.321	0.000	0.000	0.000	0.000
237	A	304	LYS	1	0.772	0.890	49.852	-5.809	-5.809	0.000	0.000	0.000	0.000
238	A	305	ILE	0	0.030	0.002	46.211	0.137	0.137	0.000	0.000	0.000	0.000
239	A	306	SER	0	-0.057	-0.026	45.796	0.277	0.277	0.000	0.000	0.000	0.000
240	A	307	ASN	0	0.049	0.016	44.968	0.274	0.274	0.000	0.000	0.000	0.000
241	A	308	PHE	0	0.015	0.014	41.888	0.162	0.162	0.000	0.000	0.000	0.000
242	A	309	GLN	0	-0.012	-0.016	41.488	0.319	0.319	0.000	0.000	0.000	0.000
243	A	310	GLN	0	-0.053	-0.015	40.317	0.145	0.145	0.000	0.000	0.000	0.000
244	A	311	ILE	0	0.080	0.042	40.280	0.246	0.246	0.000	0.000	0.000	0.000
245	A	312	PHE	0	-0.027	-0.012	37.207	0.234	0.234	0.000	0.000	0.000	0.000
246	A	313	GLN	0	0.009	0.000	33.056	0.363	0.363	0.000	0.000	0.000	0.000
247	A	314	ASP	-1	-0.794	-0.904	35.621	8.512	8.512	0.000	0.000	0.000	0.000
248	A	315	TYR	0	0.023	0.013	36.093	0.316	0.316	0.000	0.000	0.000	0.000
249	A	316	MET	0	-0.061	-0.027	32.682	0.317	0.317	0.000	0.000	0.000	0.000
250	A	317	LEU	0	0.002	0.016	31.371	0.427	0.427	0.000	0.000	0.000	0.000
251	A	318	THR	0	-0.060	-0.037	31.313	0.296	0.296	0.000	0.000	0.000	0.000
252	A	319	VAL	0	-0.027	-0.009	29.974	0.251	0.251	0.000	0.000	0.000	0.000
253	A	320	GLN	0	-0.008	-0.014	26.259	-0.006	-0.006	0.000	0.000	0.000	0.000
254	A	321	LYS	1	0.935	0.967	26.667	-9.821	-9.821	0.000	0.000	0.000	0.000
255	A	322	LYS	1	0.895	0.942	27.634	-9.150	-9.150	0.000	0.000	0.000	0.000
256	A	323	ILE	0	-0.003	-0.003	23.051	0.298	0.298	0.000	0.000	0.000	0.000
257	A	324	ALA	0	-0.011	-0.012	22.811	0.550	0.550	0.000	0.000	0.000	0.000
258	A	325	GLU	-1	-0.845	-0.892	23.088	10.977	10.977	0.000	0.000	0.000	0.000
259	A	326	LYS	1	0.842	0.909	24.403	-11.022	-11.022	0.000	0.000	0.000	0.000
260	A	327	LEU	0	0.001	0.007	18.149	0.326	0.326	0.000	0.000	0.000	0.000
261	A	328	PRO	0	-0.042	-0.036	18.226	0.773	0.773	0.000	0.000	0.000	0.000
262	A	329	LEU	0	-0.003	0.012	18.732	0.388	0.388	0.000	0.000	0.000	0.000
263	A	330	VAL	0	-0.031	-0.008	18.843	-0.007	-0.007	0.000	0.000	0.000	0.000
264	A	331	ARG	1	0.837	0.914	13.113	-18.240	-18.240	0.000	0.000	0.000	0.000
265	A	332	ALA	0	0.017	0.010	13.863	-0.528	-0.528	0.000	0.000	0.000	0.000
266	A	333	GLY	0	-0.018	-0.012	14.741	0.497	0.497	0.000	0.000	0.000	0.000
267	A	334	THR	0	-0.034	-0.011	17.493	-0.354	-0.354	0.000	0.000	0.000	0.000
268	A	335	GLU	-1	-0.728	-0.828	20.800	11.030	11.030	0.000	0.000	0.000	0.000
269	A	336	SER	0	-0.030	-0.036	22.629	0.265	0.265	0.000	0.000	0.000	0.000
270	A	337	GLU	-1	-0.798	-0.896	21.532	13.619	13.619	0.000	0.000	0.000	0.000
271	A	338	GLN	0	0.009	-0.031	23.744	0.189	0.189	0.000	0.000	0.000	0.000
272	A	339	SER	0	-0.039	-0.031	25.831	-0.251	-0.251	0.000	0.000	0.000	0.000
273	A	340	LEU	0	0.035	0.001	22.297	-0.156	-0.156	0.000	0.000	0.000	0.000
274	A	341	GLN	0	-0.071	-0.031	26.627	0.251	0.251	0.000	0.000	0.000	0.000
275	A	342	LYS	1	0.924	0.949	29.113	-9.086	-9.086	0.000	0.000	0.000	0.000
276	A	343	ILE	0	-0.032	-0.004	27.320	-0.294	-0.294	0.000	0.000	0.000	0.000
277	A	344	ILE	0	-0.036	-0.012	28.178	-0.205	-0.205	0.000	0.000	0.000	0.000
278	A	345	ASP	-1	-0.817	-0.907	32.440	9.134	9.134	0.000	0.000	0.000	0.000
279	A	346	ASP	-1	-0.795	-0.889	34.757	8.562	8.562	0.000	0.000	0.000	0.000
280	A	347	ARG	1	0.825	0.912	34.623	-9.228	-9.228	0.000	0.000	0.000	0.000
281	A	348	ALA	0	-0.011	0.003	36.801	-0.229	-0.229	0.000	0.000	0.000	0.000
282	A	349	GLN	0	0.013	0.009	38.628	-0.256	-0.256	0.000	0.000	0.000	0.000
283	A	350	SER	0	-0.040	-0.007	39.733	-0.199	-0.199	0.000	0.000	0.000	0.000
284	A	351	PRO	0	0.047	0.017	41.761	-0.015	-0.015	0.000	0.000	0.000	0.000
285	A	352	PHE	0	0.044	0.028	39.227	-0.064	-0.064	0.000	0.000	0.000	0.000
286	A	353	SER	0	-0.036	-0.030	39.313	0.162	0.162	0.000	0.000	0.000	0.000
287	A	354	ASN	0	-0.053	-0.043	38.233	-0.238	-0.238	0.000	0.000	0.000	0.000
288	A	355	GLU	-1	-0.800	-0.891	40.296	6.809	6.809	0.000	0.000	0.000	0.000
289	A	356	LYS	1	0.878	0.957	43.297	-7.511	-7.511	0.000	0.000	0.000	0.000
290	A	357	VAL	0	0.009	0.008	40.835	-0.110	-0.110	0.000	0.000	0.000	0.000
291	A	358	SER	0	-0.054	-0.037	43.210	-0.029	-0.029	0.000	0.000	0.000	0.000
292	A	359	LYS	1	0.880	0.939	44.620	-6.753	-6.753	0.000	0.000	0.000	0.000
293	A	360	TRP	0	-0.001	-0.016	46.650	-0.094	-0.094	0.000	0.000	0.000	0.000
294	A	361	LEU	0	-0.009	-0.008	42.755	-0.101	-0.101	0.000	0.000	0.000	0.000
295	A	362	ASP	-1	-0.773	-0.875	47.287	6.787	6.787	0.000	0.000	0.000	0.000
296	A	363	ALA	0	-0.009	0.002	49.566	-0.155	-0.155	0.000	0.000	0.000	0.000
297	A	364	VAL	0	-0.001	0.003	48.808	-0.149	-0.149	0.000	0.000	0.000	0.000
298	A	365	GLU	-1	-0.809	-0.883	46.662	6.857	6.857	0.000	0.000	0.000	0.000
299	A	366	ARG	1	0.881	0.940	51.404	-5.677	-5.677	0.000	0.000	0.000	0.000
300	A	367	GLU	-1	-0.763	-0.883	54.578	5.730	5.730	0.000	0.000	0.000	0.000
301	A	368	ILE	0	-0.006	-0.003	50.875	-0.127	-0.127	0.000	0.000	0.000	0.000
302	A	369	ALA	0	-0.018	-0.006	55.089	-0.085	-0.085	0.000	0.000	0.000	0.000
303	A	370	VAL	0	0.016	0.024	56.588	-0.101	-0.101	0.000	0.000	0.000	0.000
304	A	371	LEU	0	0.014	0.007	56.852	-0.104	-0.104	0.000	0.000	0.000	0.000
305	A	372	LYS	1	0.937	0.958	53.162	-6.112	-6.112	0.000	0.000	0.000	0.000
306	A	373	SER	0	-0.054	-0.034	59.247	-0.058	-0.058	0.000	0.000	0.000	0.000
307	A	374	CYS	0	-0.048	-0.008	61.971	-0.110	-0.110	0.000	0.000	0.000	0.000
308	A	375	ALA	0	-0.001	-0.008	61.145	-0.066	-0.066	0.000	0.000	0.000	0.000
309	A	376	GLY	0	-0.012	-0.012	62.523	-0.032	-0.032	0.000	0.000	0.000	0.000
310	A	377	MET	0	-0.040	-0.010	63.301	-0.033	-0.033	0.000	0.000	0.000	0.000
311	A	378	VAL	0	0.049	0.023	65.996	-0.077	-0.077	0.000	0.000	0.000	0.000
312	A	379	GLU	-1	-0.806	-0.850	60.727	5.413	5.413	0.000	0.000	0.000	0.000
313	A	380	GLY	0	-0.007	-0.002	65.325	-0.021	-0.021	0.000	0.000	0.000	0.000
314	A	381	THR	0	-0.025	-0.023	67.192	-0.086	-0.086	0.000	0.000	0.000	0.000
315	A	382	GLN	0	-0.015	-0.016	69.223	0.059	0.059	0.000	0.000	0.000	0.000
316	A	383	ALA	0	-0.025	-0.001	69.264	-0.012	-0.012	0.000	0.000	0.000	0.000
317	A	384	LYS	1	0.810	0.890	66.063	-4.829	-4.829	0.000	0.000	0.000	0.000
318	A	385	PHE	0	0.015	-0.010	61.287	-0.014	-0.014	0.000	0.000	0.000	0.000
319	A	386	VAL	0	-0.012	-0.005	64.262	-0.017	-0.017	0.000	0.000	0.000	0.000
320	A	387	SER	0	-0.003	-0.012	59.594	0.037	0.037	0.000	0.000	0.000	0.000
321	A	388	ASN	0	-0.041	-0.037	61.033	-0.026	-0.026	0.000	0.000	0.000	0.000
322	A	389	GLN	0	-0.007	-0.016	63.516	-0.016	-0.016	0.000	0.000	0.000	0.000
323	A	390	THR	0	0.041	0.025	65.516	-0.050	-0.050	0.000	0.000	0.000	0.000
324	A	391	GLU	-1	-0.813	-0.884	62.163	5.206	5.206	0.000	0.000	0.000	0.000
325	A	392	LEU	0	0.022	0.014	66.816	-0.056	-0.056	0.000	0.000	0.000	0.000
326	A	393	ASP	-1	-0.792	-0.889	69.281	4.516	4.516	0.000	0.000	0.000	0.000
327	A	394	ARG	1	0.929	0.960	67.574	-4.837	-4.837	0.000	0.000	0.000	0.000
328	A	395	GLU	-1	-0.833	-0.913	68.243	4.754	4.754	0.000	0.000	0.000	0.000
329	A	396	VAL	0	-0.032	-0.018	72.393	-0.063	-0.063	0.000	0.000	0.000	0.000
330	A	397	LEU	0	-0.010	0.004	74.270	-0.079	-0.079	0.000	0.000	0.000	0.000
331	A	398	VAL	0	-0.029	0.008	74.571	-0.059	-0.059	0.000	0.000	0.000	0.000
332	A	399	GLY	0	0.043	0.020	77.418	-0.031	-0.031	0.000	0.000	0.000	0.000
333	A	400	LYS	1	0.924	0.948	79.533	-4.065	-4.065	0.000	0.000	0.000	0.000
334	A	401	VAL	0	0.032	0.024	76.128	-0.045	-0.045	0.000	0.000	0.000	0.000
335	A	402	LYS	1	0.843	0.925	79.494	-3.867	-3.867	0.000	0.000	0.000	0.000
336	A	403	HIS	0	0.026	0.031	80.754	-0.004	-0.004	0.000	0.000	0.000	0.000
337	A	404	ALA	0	0.039	0.027	75.247	0.029	0.029	0.000	0.000	0.000	0.000
338	A	405	VAL	0	0.000	0.017	75.272	-0.009	-0.009	0.000	0.000	0.000	0.000
339	A	406	CYS	0	-0.045	-0.015	69.372	0.062	0.062	0.000	0.000	0.000	0.000
340	A	407	PHE	0	0.034	0.034	65.866	-0.013	-0.013	0.000	0.000	0.000	0.000
341	A	408	ILE	0	-0.007	-0.020	66.200	0.071	0.071	0.000	0.000	0.000	0.000
342	A	409	PHE	0	0.034	0.010	62.430	-0.025	-0.025	0.000	0.000	0.000	0.000
343	A	410	THR	0	-0.020	-0.042	64.286	0.027	0.027	0.000	0.000	0.000	0.000
344	A	411	SER	0	-0.004	-0.007	62.576	-0.043	-0.043	0.000	0.000	0.000	0.000
345	A	412	VAL	0	-0.010	0.015	57.018	0.066	0.066	0.000	0.000	0.000	0.000
346	A	413	GLU	-1	-0.804	-0.876	56.803	5.708	5.708	0.000	0.000	0.000	0.000
347	A	414	ARG	1	0.831	0.897	56.578	-5.120	-5.120	0.000	0.000	0.000	0.000
348	A	415	ASN	0	-0.029	-0.014	54.845	0.173	0.173	0.000	0.000	0.000	0.000
349	A	416	ASP	-1	-0.787	-0.886	51.710	6.234	6.234	0.000	0.000	0.000	0.000
350	A	417	PRO	0	0.047	0.021	52.572	0.095	0.095	0.000	0.000	0.000	0.000
351	A	418	TYR	0	-0.003	-0.013	44.758	0.083	0.083	0.000	0.000	0.000	0.000
352	A	419	LEU	0	-0.020	-0.016	46.832	0.146	0.146	0.000	0.000	0.000	0.000
353	A	420	LYS	1	0.835	0.912	48.030	-6.194	-6.194	0.000	0.000	0.000	0.000
354	A	421	VAL	0	0.027	0.010	47.579	0.085	0.085	0.000	0.000	0.000	0.000
355	A	422	LEU	0	-0.056	-0.035	43.615	0.132	0.132	0.000	0.000	0.000	0.000
356	A	423	SER	0	-0.046	-0.036	44.047	0.214	0.214	0.000	0.000	0.000	0.000
357	A	424	ASP	-1	-0.809	-0.893	45.117	6.535	6.535	0.000	0.000	0.000	0.000
358	A	425	TYR	0	-0.063	-0.042	39.432	0.048	0.048	0.000	0.000	0.000	0.000
359	A	426	TRP	0	-0.064	-0.032	37.751	0.160	0.160	0.000	0.000	0.000	0.000
360	A	427	GLU	-1	-0.917	-0.931	41.395	7.045	7.045	0.000	0.000	0.000	0.000
361	A	428	SER	0	-0.072	-0.024	41.662	-0.066	-0.066	0.000	0.000	0.000	0.000
362	A	440	SER	0	-0.073	-0.062	54.117	0.064	0.064	0.000	0.000	0.000	0.000
363	A	441	THR	0	-0.052	-0.052	52.144	0.050	0.050	0.000	0.000	0.000	0.000
364	A	442	GLU	-1	-0.885	-0.933	54.843	5.904	5.904	0.000	0.000	0.000	0.000
365	A	443	ASP	-1	-0.875	-0.910	58.008	5.397	5.397	0.000	0.000	0.000	0.000
366	A	444	LYS	1	0.795	0.889	54.951	-5.943	-5.943	0.000	0.000	0.000	0.000
367	A	445	TRP	0	0.041	-0.011	58.639	-0.069	-0.069	0.000	0.000	0.000	0.000
368	A	446	CYS	0	-0.057	-0.006	56.412	-0.070	-0.070	0.000	0.000	0.000	0.000
369	A	447	PHE	0	0.076	0.020	53.975	0.016	0.016	0.000	0.000	0.000	0.000
370	A	448	SER	0	0.026	0.032	60.195	-0.068	-0.068	0.000	0.000	0.000	0.000
371	A	449	THR	0	0.026	-0.009	63.966	0.002	0.002	0.000	0.000	0.000	0.000
372	A	450	GLU	-1	-0.878	-0.916	65.977	4.567	4.567	0.000	0.000	0.000	0.000
373	A	451	VAL	0	0.048	0.026	65.389	-0.039	-0.039	0.000	0.000	0.000	0.000
374	A	452	VAL	0	0.000	-0.004	62.554	-0.020	-0.020	0.000	0.000	0.000	0.000
375	A	453	LEU	0	-0.010	0.010	65.744	-0.017	-0.017	0.000	0.000	0.000	0.000
376	A	454	LYS	1	0.880	0.927	69.033	-4.488	-4.488	0.000	0.000	0.000	0.000
377	A	455	MET	0	-0.027	0.004	62.694	-0.025	-0.025	0.000	0.000	0.000	0.000
378	A	456	GLN	0	0.013	-0.005	64.412	0.026	0.026	0.000	0.000	0.000	0.000
379	A	457	GLN	0	0.022	0.005	68.540	-0.033	-0.033	0.000	0.000	0.000	0.000
380	A	458	ARG	1	0.815	0.903	71.142	-4.465	-4.465	0.000	0.000	0.000	0.000
381	A	459	ALA	0	0.029	0.012	68.097	-0.029	-0.029	0.000	0.000	0.000	0.000
382	A	460	GLN	0	-0.054	-0.038	70.109	0.014	0.014	0.000	0.000	0.000	0.000
383	A	461	THR	0	0.004	-0.001	72.575	-0.054	-0.054	0.000	0.000	0.000	0.000
384	A	462	PHE	0	-0.018	-0.011	70.484	-0.061	-0.061	0.000	0.000	0.000	0.000
385	A	463	CYS	0	-0.003	-0.005	70.633	-0.003	-0.003	0.000	0.000	0.000	0.000
386	A	464	ASP	-1	-0.833	-0.896	73.222	4.270	4.270	0.000	0.000	0.000	0.000
387	A	465	HIS	0	-0.066	-0.054	76.817	-0.106	-0.106	0.000	0.000	0.000	0.000
388	A	466	VAL	0	-0.017	-0.012	72.219	-0.034	-0.034	0.000	0.000	0.000	0.000
389	A	467	ASN	0	-0.046	-0.030	73.767	-0.005	-0.005	0.000	0.000	0.000	0.000
390	A	468	ASP	-1	-0.802	-0.860	77.266	3.901	3.901	0.000	0.000	0.000	0.000
391	A	469	PHE	0	-0.062	-0.039	79.610	-0.069	-0.069	0.000	0.000	0.000	0.000
392	A	470	GLU	-1	-0.766	-0.841	76.553	4.201	4.201	0.000	0.000	0.000	0.000
393	A	471	LYS	1	0.782	0.860	78.459	-4.120	-4.120	0.000	0.000	0.000	0.000
394	A	472	SER	0	-0.040	-0.032	81.018	-0.052	-0.052	0.000	0.000	0.000	0.000
395	A	473	ARG	1	0.806	0.887	80.500	-3.761	-3.761	0.000	0.000	0.000	0.000
396	A	474	ASN	0	-0.114	-0.066	80.794	-0.018	-0.018	0.000	0.000	0.000	0.000
397	A	475	VAL	0	-0.031	-0.014	78.487	-0.019	-0.019	0.000	0.000	0.000	0.000
398	A	476	GLY	0	0.005	0.016	75.726	0.029	0.029	0.000	0.000	0.000	0.000
399	A	477	PHE	0	0.010	-0.002	72.651	-0.017	-0.017	0.000	0.000	0.000	0.000
400	A	478	PHE	0	-0.009	-0.006	69.240	0.033	0.033	0.000	0.000	0.000	0.000
401	A	479	ILE	0	0.020	0.009	64.409	-0.019	-0.019	0.000	0.000	0.000	0.000
402	A	480	THR	0	-0.002	-0.027	63.825	0.049	0.049	0.000	0.000	0.000	0.000
403	A	481	ALA	0	-0.007	-0.007	60.839	-0.005	-0.005	0.000	0.000	0.000	0.000
404	A	482	LEU	0	-0.041	-0.020	62.447	0.044	0.044	0.000	0.000	0.000	0.000
405	A	483	GLU	-1	-0.853	-0.902	60.659	5.261	5.261	0.000	0.000	0.000	0.000
406	A	484	ASN	0	0.000	-0.027	63.751	-0.055	-0.055	0.000	0.000	0.000	0.000
407	A	485	GLY	0	0.043	0.014	67.021	-0.022	-0.022	0.000	0.000	0.000	0.000
408	A	486	LYS	1	0.865	0.944	67.806	-4.494	-4.494	0.000	0.000	0.000	0.000
409	A	487	PHE	0	0.002	0.002	69.407	-0.060	-0.060	0.000	0.000	0.000	0.000
410	A	488	GLN	0	0.032	0.034	66.720	0.045	0.045	0.000	0.000	0.000	0.000
411	A	489	GLY	0	0.057	0.016	64.087	-0.042	-0.042	0.000	0.000	0.000	0.000
412	A	490	ALA	0	-0.036	-0.025	64.730	0.075	0.075	0.000	0.000	0.000	0.000
413	A	491	SER	0	-0.017	-0.019	67.393	-0.084	-0.084	0.000	0.000	0.000	0.000
414	A	492	ILE	0	-0.022	0.002	70.410	0.043	0.043	0.000	0.000	0.000	0.000
415	A	493	TYR	0	-0.015	0.015	68.683	-0.079	-0.079	0.000	0.000	0.000	0.000
416	A	494	TYR	0	-0.031	-0.035	73.929	-0.031	-0.031	0.000	0.000	0.000	0.000
417	A	495	TYR	0	-0.002	-0.010	72.723	-0.014	-0.014	0.000	0.000	0.000	0.000
418	A	496	LYS	1	0.881	0.940	78.352	-3.839	-3.839	0.000	0.000	0.000	0.000
419	A	497	GLU	-1	-0.840	-0.913	81.876	3.784	3.784	0.000	0.000	0.000	0.000
420	A	498	GLY	0	0.029	0.033	78.346	-0.021	-0.021	0.000	0.000	0.000	0.000
421	A	499	SER	0	-0.014	-0.004	78.203	0.045	0.045	0.000	0.000	0.000	0.000
422	A	500	LEU	0	-0.054	-0.020	74.832	-0.018	-0.018	0.000	0.000	0.000	0.000
423	A	501	ALA	0	-0.021	-0.013	78.209	-0.045	-0.045	0.000	0.000	0.000	0.000
424	A	502	THR	0	-0.011	-0.015	78.256	-0.017	-0.017	0.000	0.000	0.000	0.000
425	A	503	GLN	0	0.033	0.022	71.836	0.034	0.034	0.000	0.000	0.000	0.000
426	A	504	ASP	-1	-0.786	-0.870	73.986	4.358	4.358	0.000	0.000	0.000	0.000
427	A	505	PHE	0	-0.011	-0.005	76.411	-0.067	-0.067	0.000	0.000	0.000	0.000
428	A	506	THR	0	0.001	0.005	76.847	0.067	0.067	0.000	0.000	0.000	0.000
429	A	507	PHE	0	0.032	0.010	79.110	-0.002	-0.002	0.000	0.000	0.000	0.000
430	A	508	PRO	0	0.001	0.025	82.051	-0.020	-0.020	0.000	0.000	0.000	0.000
431	A	509	ARG	1	0.941	0.972	84.518	-3.734	-3.734	0.000	0.000	0.000	0.000
432	A	510	MET	0	-0.027	0.034	87.051	-0.025	-0.025	0.000	0.000	0.000	0.000
433	A	511	PRO	0	-0.022	0.011	90.801	-0.013	-0.013	0.000	0.000	0.000	0.000
434	A	512	PHE	0	0.031	0.014	94.284	0.021	0.021	0.000	0.000	0.000	0.000
435	A	513	VAL	0	0.041	0.012	95.511	-0.004	-0.004	0.000	0.000	0.000	0.000
436	A	514	GLN	0	0.044	0.015	97.487	0.034	0.034	0.000	0.000	0.000	0.000
437	A	515	GLY	0	-0.018	-0.003	98.801	-0.026	-0.026	0.000	0.000	0.000	0.000
438	A	516	TYR	0	-0.048	-0.051	91.194	0.016	0.016	0.000	0.000	0.000	0.000
439	A	517	LYS	1	0.758	0.875	95.891	-3.334	-3.334	0.000	0.000	0.000	0.000
440	A	518	LYS	1	0.923	0.944	89.989	-3.613	-3.613	0.000	0.000	0.000	0.000
441	A	519	ARG	1	0.805	0.864	90.510	-3.563	-3.563	0.000	0.000	0.000	0.000
442	A	520	SER	0	0.023	-0.027	87.471	0.001	0.001	0.000	0.000	0.000	0.000
443	A	521	ASP	-1	-0.836	-0.902	87.781	3.718	3.718	0.000	0.000	0.000	0.000
444	A	522	LEU	0	0.038	0.020	88.687	0.026	0.026	0.000	0.000	0.000	0.000
445	A	523	LEU	0	-0.032	-0.020	86.470	0.022	0.022	0.000	0.000	0.000	0.000
446	A	524	TRP	0	-0.013	-0.003	79.952	0.052	0.052	0.000	0.000	0.000	0.000
447	A	525	TYR	0	0.027	-0.011	84.443	0.042	0.042	0.000	0.000	0.000	0.000
448	A	526	ALA	0	-0.023	0.009	86.196	-0.030	-0.030	0.000	0.000	0.000	0.000
449	A	527	CYS	0	0.010	0.007	84.998	0.049	0.049	0.000	0.000	0.000	0.000
450	A	528	ASP	-1	-0.872	-0.921	83.558	3.857	3.857	0.000	0.000	0.000	0.000
451	A	529	LEU	0	-0.023	-0.020	86.525	-0.012	-0.012	0.000	0.000	0.000	0.000
452	A	530	THR	0	-0.025	-0.019	88.097	0.020	0.020	0.000	0.000	0.000	0.000
453	A	531	PHE	0	-0.045	-0.024	90.253	-0.021	-0.021	0.000	0.000	0.000	0.000
454	A	532	ASP	-1	-0.715	-0.836	92.477	3.549	3.549	0.000	0.000	0.000	0.000
455	A	533	ARG	1	0.779	0.834	90.961	-3.637	-3.637	0.000	0.000	0.000	0.000
456	A	534	ASN	0	-0.093	-0.051	91.107	-0.036	-0.036	0.000	0.000	0.000	0.000
457	A	535	THR	0	0.050	0.011	95.269	-0.049	-0.049	0.000	0.000	0.000	0.000
458	A	536	ILE	0	-0.051	-0.004	96.975	-0.048	-0.048	0.000	0.000	0.000	0.000
459	A	537	ASN	0	0.017	0.010	99.283	-0.014	-0.014	0.000	0.000	0.000	0.000
460	A	538	ASN	0	-0.017	-0.019	102.587	0.009	0.009	0.000	0.000	0.000	0.000
461	A	539	TRP	0	0.005	0.004	103.766	-0.015	-0.015	0.000	0.000	0.000	0.000
462	A	540	ILE	0	-0.012	0.007	100.917	-0.020	-0.020	0.000	0.000	0.000	0.000
463	A	541	SER	0	0.003	-0.004	100.394	0.032	0.032	0.000	0.000	0.000	0.000
464	A	542	LEU	0	-0.013	-0.014	95.021	-0.006	-0.006	0.000	0.000	0.000	0.000
465	A	543	SER	0	-0.046	-0.035	92.810	-0.015	-0.015	0.000	0.000	0.000	0.000
466	A	544	ASP	-1	-0.816	-0.864	90.627	3.633	3.633	0.000	0.000	0.000	0.000
467	A	545	ASN	0	-0.001	-0.003	88.056	0.000	0.000	0.000	0.000	0.000	0.000
468	A	546	ASP	-1	-0.795	-0.879	89.439	3.597	3.597	0.000	0.000	0.000	0.000
469	A	547	THR	0	0.060	0.029	89.334	-0.011	-0.011	0.000	0.000	0.000	0.000
470	A	548	PHE	0	-0.091	-0.070	92.418	-0.027	-0.027	0.000	0.000	0.000	0.000
471	A	549	ALA	0	0.059	0.040	95.958	0.012	0.012	0.000	0.000	0.000	0.000
472	A	550	ALA	0	0.006	-0.006	99.160	-0.019	-0.019	0.000	0.000	0.000	0.000
473	A	551	SER	0	0.002	0.011	102.725	0.005	0.005	0.000	0.000	0.000	0.000
474	A	552	GLU	-1	-0.776	-0.845	103.987	3.141	3.141	0.000	0.000	0.000	0.000
475	A	553	HIS	0	0.025	0.010	107.348	0.000	0.000	0.000	0.000	0.000	0.000
476	A	554	GLY	0	-0.020	-0.015	109.844	-0.037	-0.037	0.000	0.000	0.000	0.000
477	A	555	LYS	1	0.784	0.872	105.107	-3.089	-3.089	0.000	0.000	0.000	0.000
478	A	556	ARG	1	0.897	0.964	106.130	-2.980	-2.980	0.000	0.000	0.000	0.000
479	A	557	GLN	0	0.027	0.029	101.047	0.009	0.009	0.000	0.000	0.000	0.000
480	A	558	ASN	0	-0.031	-0.020	100.888	-0.034	-0.034	0.000	0.000	0.000	0.000
481	A	559	TYR	0	-0.015	-0.028	97.958	0.048	0.048	0.000	0.000	0.000	0.000
482	A	560	PRO	0	0.031	0.011	94.732	-0.034	-0.034	0.000	0.000	0.000	0.000
483	A	561	LYS	1	0.979	0.988	97.920	-3.200	-3.200	0.000	0.000	0.000	0.000
484	A	562	HIS	0	0.062	0.052	93.498	-0.015	-0.015	0.000	0.000	0.000	0.000
485	A	563	PRO	0	0.008	-0.006	97.524	-0.040	-0.040	0.000	0.000	0.000	0.000
486	A	564	GLU	-1	-0.815	-0.893	94.642	3.428	3.428	0.000	0.000	0.000	0.000
487	A	565	ARG	1	0.796	0.889	96.632	-3.332	-3.332	0.000	0.000	0.000	0.000
488	A	566	PHE	0	0.013	0.023	100.517	-0.035	-0.035	0.000	0.000	0.000	0.000
489	A	567	VAL	0	-0.026	0.016	103.794	0.003	0.003	0.000	0.000	0.000	0.000
490	A	568	SER	0	-0.019	-0.018	106.467	-0.005	-0.005	0.000	0.000	0.000	0.000
491	A	569	PHE	0	0.032	0.019	107.453	-0.035	-0.035	0.000	0.000	0.000	0.000
492	A	570	ASN	0	-0.017	-0.001	106.230	0.039	0.039	0.000	0.000	0.000	0.000
493	A	571	GLN	0	-0.021	-0.016	103.565	-0.023	-0.023	0.000	0.000	0.000	0.000
494	A	572	VAL	0	-0.011	-0.011	97.433	0.015	0.015	0.000	0.000	0.000	0.000
495	A	573	LEU	0	0.047	0.019	96.097	-0.023	-0.023	0.000	0.000	0.000	0.000
496	A	574	CYS	0	-0.046	-0.008	92.056	0.002	0.002	0.000	0.000	0.000	0.000
497	A	575	ASN	0	-0.002	-0.020	88.848	-0.012	-0.012	0.000	0.000	0.000	0.000
498	A	576	GLU	-1	-0.831	-0.919	87.096	3.724	3.724	0.000	0.000	0.000	0.000
499	A	577	GLY	0	0.028	0.010	89.046	-0.045	-0.045	0.000	0.000	0.000	0.000
500	A	578	LEU	0	-0.047	-0.020	88.731	0.045	0.045	0.000	0.000	0.000	0.000
501	A	579	MET	0	-0.010	-0.006	87.614	-0.027	-0.027	0.000	0.000	0.000	0.000
502	A	580	GLY	0	0.027	0.007	87.909	0.019	0.019	0.000	0.000	0.000	0.000
503	A	581	LYS	1	0.890	0.965	88.188	-3.687	-3.687	0.000	0.000	0.000	0.000
504	A	582	HIS	0	0.054	0.024	86.437	0.035	0.035	0.000	0.000	0.000	0.000
505	A	583	TYR	0	-0.056	-0.061	89.530	-0.069	-0.069	0.000	0.000	0.000	0.000
506	A	584	TRP	0	0.036	0.018	90.116	0.048	0.048	0.000	0.000	0.000	0.000
507	A	585	GLU	-1	-0.751	-0.819	92.137	3.524	3.524	0.000	0.000	0.000	0.000
508	A	586	VAL	0	0.017	0.020	94.006	0.031	0.031	0.000	0.000	0.000	0.000
509	A	587	GLU	-1	-0.821	-0.885	96.750	3.322	3.322	0.000	0.000	0.000	0.000
510	A	588	TRP	0	-0.062	-0.030	98.975	0.007	0.007	0.000	0.000	0.000	0.000
511	A	589	ASN	0	0.009	-0.015	102.324	-0.036	-0.036	0.000	0.000	0.000	0.000
512	A	590	GLY	0	-0.002	0.014	105.698	0.008	0.008	0.000	0.000	0.000	0.000
513	A	591	TYR	0	-0.014	-0.021	109.071	-0.025	-0.025	0.000	0.000	0.000	0.000
514	A	592	ILE	0	-0.011	-0.004	104.641	0.014	0.014	0.000	0.000	0.000	0.000
515	A	593	ASP	-1	-0.862	-0.914	105.209	3.078	3.078	0.000	0.000	0.000	0.000
516	A	594	VAL	0	0.036	0.020	99.484	0.029	0.029	0.000	0.000	0.000	0.000
517	A	595	GLY	0	0.004	-0.002	100.505	-0.026	-0.026	0.000	0.000	0.000	0.000
518	A	596	ILE	0	-0.020	0.009	96.825	0.042	0.042	0.000	0.000	0.000	0.000
519	A	597	ALA	0	0.008	-0.002	98.309	-0.050	-0.050	0.000	0.000	0.000	0.000
520	A	598	TYR	0	0.022	0.026	97.380	0.047	0.047	0.000	0.000	0.000	0.000
521	A	599	ILE	0	0.056	0.037	93.178	-0.024	-0.024	0.000	0.000	0.000	0.000
522	A	600	SER	0	-0.071	-0.057	96.954	-0.031	-0.031	0.000	0.000	0.000	0.000
523	A	601	ILE	0	-0.047	-0.010	99.760	-0.045	-0.045	0.000	0.000	0.000	0.000
524	A	602	PRO	0	0.034	0.005	101.958	0.020	0.020	0.000	0.000	0.000	0.000
525	A	603	ARG	1	0.770	0.872	97.035	-3.346	-3.346	0.000	0.000	0.000	0.000
526	A	604	LYS	1	0.777	0.873	102.229	-3.203	-3.203	0.000	0.000	0.000	0.000
527	A	605	GLU	-1	-0.845	-0.938	107.017	2.987	2.987	0.000	0.000	0.000	0.000
528	A	606	ILE	0	-0.012	-0.004	109.929	0.017	0.017	0.000	0.000	0.000	0.000
529	A	607	ASP	-1	-0.808	-0.889	110.642	2.953	2.953	0.000	0.000	0.000	0.000
530	A	608	PHE	0	-0.003	-0.032	111.978	0.013	0.013	0.000	0.000	0.000	0.000
531	A	609	ALA	0	-0.022	-0.015	109.002	0.012	0.012	0.000	0.000	0.000	0.000
532	A	610	SER	0	-0.021	-0.031	105.756	0.033	0.033	0.000	0.000	0.000	0.000
533	A	611	ALA	0	0.012	0.027	106.660	0.025	0.025	0.000	0.000	0.000	0.000
534	A	612	PHE	0	-0.005	-0.016	101.932	-0.001	-0.001	0.000	0.000	0.000	0.000
535	A	613	GLY	0	0.023	0.017	106.968	-0.023	-0.023	0.000	0.000	0.000	0.000
536	A	614	TYR	0	-0.100	-0.073	108.730	-0.027	-0.027	0.000	0.000	0.000	0.000
537	A	615	ASN	0	0.049	0.032	105.812	0.001	0.001	0.000	0.000	0.000	0.000
538	A	616	THR	0	-0.041	-0.033	106.164	-0.017	-0.017	0.000	0.000	0.000	0.000
539	A	617	TYR	0	0.017	0.013	102.263	0.013	0.013	0.000	0.000	0.000	0.000
540	A	618	SER	0	0.074	0.028	101.978	0.038	0.038	0.000	0.000	0.000	0.000
541	A	619	TRP	0	-0.051	-0.019	100.621	-0.028	-0.028	0.000	0.000	0.000	0.000
542	A	620	VAL	0	-0.001	0.008	102.774	0.036	0.036	0.000	0.000	0.000	0.000
543	A	621	LEU	0	0.025	0.020	104.119	-0.040	-0.040	0.000	0.000	0.000	0.000
544	A	622	SER	0	-0.014	-0.039	105.558	0.011	0.011	0.000	0.000	0.000	0.000
545	A	623	TYR	0	0.004	-0.003	107.817	-0.026	-0.026	0.000	0.000	0.000	0.000
546	A	624	ASN	0	-0.019	-0.028	109.552	-0.012	-0.012	0.000	0.000	0.000	0.000
547	A	625	PRO	0	0.037	0.006	111.669	-0.030	-0.030	0.000	0.000	0.000	0.000
548	A	626	LYS	1	0.854	0.927	114.413	-2.812	-2.812	0.000	0.000	0.000	0.000
549	A	627	ILE	0	-0.012	0.005	115.715	-0.026	-0.026	0.000	0.000	0.000	0.000
550	A	628	GLY	0	0.008	0.012	114.097	-0.007	-0.007	0.000	0.000	0.000	0.000
551	A	629	TYR	0	0.011	-0.001	107.695	0.014	0.014	0.000	0.000	0.000	0.000
552	A	630	ILE	0	0.010	0.022	110.735	-0.020	-0.020	0.000	0.000	0.000	0.000
553	A	631	GLU	-1	-0.840	-0.903	107.368	3.097	3.097	0.000	0.000	0.000	0.000
554	A	632	ARG	1	0.854	0.919	108.038	-3.013	-3.013	0.000	0.000	0.000	0.000
555	A	633	HIS	0	0.002	-0.020	105.709	0.025	0.025	0.000	0.000	0.000	0.000
556	A	634	LYS	1	0.878	0.954	108.728	-3.022	-3.022	0.000	0.000	0.000	0.000
557	A	635	LYS	1	0.875	0.945	110.596	-2.898	-2.898	0.000	0.000	0.000	0.000
558	A	636	ARG	1	0.853	0.946	110.275	-2.974	-2.974	0.000	0.000	0.000	0.000
559	A	637	GLU	-1	-0.793	-0.892	112.361	2.918	2.918	0.000	0.000	0.000	0.000
560	A	638	TYR	0	-0.003	0.001	111.234	-0.026	-0.026	0.000	0.000	0.000	0.000
561	A	639	ASN	0	0.014	0.004	112.345	0.029	0.029	0.000	0.000	0.000	0.000
562	A	640	VAL	0	0.021	0.018	107.987	0.002	0.002	0.000	0.000	0.000	0.000
563	A	641	ARG	1	0.943	0.961	111.431	-2.837	-2.837	0.000	0.000	0.000	0.000
564	A	642	ALA	0	0.036	0.021	108.622	0.021	0.021	0.000	0.000	0.000	0.000
565	A	643	PRO	0	-0.003	-0.008	107.316	-0.024	-0.024	0.000	0.000	0.000	0.000
566	A	644	ASN	0	-0.018	-0.006	107.030	0.009	0.009	0.000	0.000	0.000	0.000
567	A	645	PRO	0	0.014	-0.004	108.592	0.026	0.026	0.000	0.000	0.000	0.000
568	A	646	GLY	0	0.029	0.026	109.166	-0.009	-0.009	0.000	0.000	0.000	0.000
569	A	647	PHE	0	-0.034	-0.016	102.831	0.027	0.027	0.000	0.000	0.000	0.000
570	A	648	LYS	1	0.941	0.957	101.071	-3.221	-3.221	0.000	0.000	0.000	0.000
571	A	649	ARG	1	0.844	0.916	94.414	-3.411	-3.411	0.000	0.000	0.000	0.000
572	A	650	LEU	0	0.016	0.020	99.358	-0.017	-0.017	0.000	0.000	0.000	0.000
573	A	651	GLY	0	0.035	0.012	96.350	0.040	0.040	0.000	0.000	0.000	0.000
574	A	652	LEU	0	-0.031	-0.008	95.783	-0.047	-0.047	0.000	0.000	0.000	0.000
575	A	653	PHE	0	-0.012	-0.008	90.701	0.046	0.046	0.000	0.000	0.000	0.000
576	A	654	LEU	0	0.021	0.012	93.133	-0.050	-0.050	0.000	0.000	0.000	0.000
577	A	655	ASP	-1	-0.843	-0.955	92.554	3.610	3.610	0.000	0.000	0.000	0.000
578	A	656	TRP	0	-0.022	-0.021	90.836	-0.033	-0.033	0.000	0.000	0.000	0.000
579	A	657	ARG	1	0.778	0.868	84.234	-3.837	-3.837	0.000	0.000	0.000	0.000
580	A	658	TYR	0	-0.017	0.000	92.277	-0.043	-0.043	0.000	0.000	0.000	0.000
581	A	659	GLY	0	0.029	0.023	95.498	0.003	0.003	0.000	0.000	0.000	0.000
582	A	660	SER	0	-0.054	-0.043	97.288	-0.063	-0.063	0.000	0.000	0.000	0.000
583	A	661	ILE	0	0.020	0.021	97.403	0.041	0.041	0.000	0.000	0.000	0.000
584	A	662	SER	0	-0.016	-0.027	98.283	-0.036	-0.036	0.000	0.000	0.000	0.000
585	A	663	PHE	0	0.021	0.015	98.919	0.034	0.034	0.000	0.000	0.000	0.000
586	A	664	TYR	0	-0.014	-0.041	96.870	-0.017	-0.017	0.000	0.000	0.000	0.000
587	A	665	ALA	0	0.030	0.030	100.302	0.014	0.014	0.000	0.000	0.000	0.000
588	A	666	VAL	0	-0.018	-0.017	95.506	0.018	0.018	0.000	0.000	0.000	0.000
589	A	667	SER	0	-0.014	-0.010	98.570	-0.024	-0.024	0.000	0.000	0.000	0.000
590	A	668	SER	0	-0.016	-0.026	94.501	0.015	0.015	0.000	0.000	0.000	0.000
591	A	669	ASP	-1	-0.851	-0.911	92.390	3.528	3.528	0.000	0.000	0.000	0.000
592	A	670	GLU	-1	-0.782	-0.872	93.894	3.348	3.348	0.000	0.000	0.000	0.000
593	A	671	VAL	0	-0.054	-0.028	95.748	-0.004	-0.004	0.000	0.000	0.000	0.000
594	A	672	HIS	0	-0.001	-0.005	98.340	-0.023	-0.023	0.000	0.000	0.000	0.000
595	A	673	HIS	0	0.026	0.038	101.497	0.001	0.001	0.000	0.000	0.000	0.000
596	A	674	LEU	0	-0.063	-0.018	102.647	-0.034	-0.034	0.000	0.000	0.000	0.000
597	A	675	HIS	0	-0.062	-0.058	104.365	-0.049	-0.049	0.000	0.000	0.000	0.000
598	A	676	THR	0	0.021	0.000	101.569	0.058	0.058	0.000	0.000	0.000	0.000
599	A	677	PHE	0	-0.022	0.016	103.265	-0.027	-0.027	0.000	0.000	0.000	0.000
600	A	678	LYS	1	0.926	0.946	100.817	-3.201	-3.201	0.000	0.000	0.000	0.000
601	A	679	THR	0	-0.052	-0.030	101.699	-0.046	-0.046	0.000	0.000	0.000	0.000
602	A	680	LYS	1	0.886	0.948	96.657	-3.357	-3.357	0.000	0.000	0.000	0.000
603	A	681	PHE	0	0.040	0.023	96.473	-0.015	-0.015	0.000	0.000	0.000	0.000
604	A	682	THR	0	-0.012	-0.014	96.612	0.029	0.029	0.000	0.000	0.000	0.000
605	A	683	GLU	-1	-0.764	-0.845	94.211	3.409	3.409	0.000	0.000	0.000	0.000
606	A	684	PRO	0	0.031	0.003	90.490	-0.015	-0.015	0.000	0.000	0.000	0.000
607	A	685	VAL	0	-0.042	-0.017	92.680	-0.044	-0.044	0.000	0.000	0.000	0.000
608	A	686	TYR	0	0.045	0.035	90.845	0.036	0.036	0.000	0.000	0.000	0.000
609	A	687	PRO	0	-0.002	-0.004	92.957	-0.052	-0.052	0.000	0.000	0.000	0.000
610	A	688	ALA	0	-0.024	-0.003	96.033	0.009	0.009	0.000	0.000	0.000	0.000
611	A	689	PHE	0	0.031	-0.013	95.923	-0.014	-0.014	0.000	0.000	0.000	0.000
612	A	690	SER	0	0.011	0.023	101.704	-0.001	-0.001	0.000	0.000	0.000	0.000
613	A	691	ILE	0	-0.048	-0.032	101.628	0.000	0.000	0.000	0.000	0.000	0.000
614	A	692	GLY	0	0.061	0.043	106.274	-0.013	-0.013	0.000	0.000	0.000	0.000
615	A	693	PRO	0	0.006	0.004	110.123	0.012	0.012	0.000	0.000	0.000	0.000
616	A	694	ALA	0	0.054	0.007	112.854	-0.019	-0.019	0.000	0.000	0.000	0.000
617	A	695	GLY	0	0.034	0.025	113.701	0.023	0.023	0.000	0.000	0.000	0.000
618	A	696	ASN	0	-0.107	-0.046	113.840	-0.021	-0.021	0.000	0.000	0.000	0.000
619	A	697	HIS	0	0.047	0.024	109.174	0.005	0.005	0.000	0.000	0.000	0.000
620	A	698	GLY	0	0.080	0.032	106.774	-0.018	-0.018	0.000	0.000	0.000	0.000
621	A	699	THR	0	-0.039	-0.021	102.221	0.009	0.009	0.000	0.000	0.000	0.000
622	A	700	LEU	0	-0.008	0.006	98.331	-0.009	-0.009	0.000	0.000	0.000	0.000
623	A	701	ARG	1	0.955	0.982	93.606	-3.440	-3.440	0.000	0.000	0.000	0.000
624	A	702	LEU	0	0.034	0.030	92.526	-0.010	-0.010	0.000	0.000	0.000	0.000
625	A	703	LEU	0	-0.057	-0.034	89.718	0.079	0.079	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

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