FMO DATABASE

FMODB ID: 14RLZ

Calculation Name: 2CVS-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2CVS

Chain ID: A

ChEMBL ID:

UniProt ID: P21524

Base Structure: X-ray

Registration Date: 2023-06-20

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

DOI:

Apendix: None

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	656
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-16389249.809803
FMO2-HF: Nuclear repulsion	16124722.83081
FMO2-HF: Total energy	-264526.978994
FMO2-MP2: Total energy	-265292.047542

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:76:THR)

Summations of interaction energy for fragment #1(A:76:THR)

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.
-3.186	1.346	2.142	-2.616	-4.058	0.003

Interaction energy analysis for fragmet #1(A:76:THR)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.065 / q_NPA : 0.008

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	78	ALA	0	0.016	-0.004	3.224	-3.421	-0.596	0.012	-1.385	-1.451	0.005
4	A	79	ALA	0	0.046	0.023	3.869	0.017	0.354	0.001	-0.068	-0.270	0.000
5	A	80	ARG	1	0.972	0.999	5.502	1.376	1.376	0.000	0.000	0.000	0.000
6	A	81	ILE	0	0.031	0.018	7.588	0.251	0.251	0.000	0.000	0.000	0.000
7	A	82	ALA	0	-0.010	0.006	8.207	0.116	0.116	0.000	0.000	0.000	0.000
8	A	83	ILE	0	0.033	0.023	8.102	0.120	0.120	0.000	0.000	0.000	0.000
9	A	84	SER	0	0.016	-0.014	11.010	0.127	0.127	0.000	0.000	0.000	0.000
10	A	85	ASN	0	-0.044	-0.032	12.899	0.057	0.057	0.000	0.000	0.000	0.000
11	A	86	LEU	0	0.007	0.007	13.362	0.039	0.039	0.000	0.000	0.000	0.000
12	A	87	HIS	0	-0.063	-0.015	14.643	0.031	0.031	0.000	0.000	0.000	0.000
13	A	88	LYS	1	0.898	0.946	16.602	0.180	0.180	0.000	0.000	0.000	0.000
14	A	89	GLN	0	-0.078	-0.019	18.254	0.015	0.015	0.000	0.000	0.000	0.000
15	A	90	THR	0	0.023	0.016	18.974	0.010	0.010	0.000	0.000	0.000	0.000
16	A	91	THR	0	0.018	0.010	22.096	-0.003	-0.003	0.000	0.000	0.000	0.000
17	A	92	LYN	0	0.043	0.021	20.381	-0.007	-0.007	0.000	0.000	0.000	0.000
18	A	93	GLN	0	-0.009	-0.008	24.027	0.000	0.000	0.000	0.000	0.000	0.000
19	A	94	PHE	0	0.109	0.052	25.348	0.000	0.000	0.000	0.000	0.000	0.000
20	A	95	SER	0	0.015	-0.001	26.776	0.002	0.002	0.000	0.000	0.000	0.000
21	A	96	LYS	1	0.892	0.947	29.115	0.043	0.043	0.000	0.000	0.000	0.000
22	A	97	VAL	0	0.082	0.045	24.730	0.002	0.002	0.000	0.000	0.000	0.000
23	A	98	VAL	0	-0.001	0.007	27.996	0.002	0.002	0.000	0.000	0.000	0.000
24	A	99	GLU	-1	-0.837	-0.877	30.360	-0.030	-0.030	0.000	0.000	0.000	0.000
25	A	100	ASP	-1	-0.881	-0.946	29.602	-0.049	-0.049	0.000	0.000	0.000	0.000
26	A	101	LEU	0	-0.051	-0.039	26.379	0.002	0.002	0.000	0.000	0.000	0.000
27	A	102	TYR	0	-0.135	-0.088	30.784	0.003	0.003	0.000	0.000	0.000	0.000
28	A	103	ARG	1	0.844	0.900	34.156	0.031	0.031	0.000	0.000	0.000	0.000
29	A	104	TYR	0	-0.047	-0.010	31.195	0.002	0.002	0.000	0.000	0.000	0.000
30	A	105	VAL	0	0.013	0.010	34.006	0.003	0.003	0.000	0.000	0.000	0.000
31	A	106	ASN	0	0.022	0.021	34.872	-0.003	-0.003	0.000	0.000	0.000	0.000
32	A	107	ALA	0	0.060	0.012	35.181	0.002	0.002	0.000	0.000	0.000	0.000
33	A	108	ALA	0	-0.027	-0.011	36.089	0.002	0.002	0.000	0.000	0.000	0.000
34	A	109	THR	0	-0.093	-0.050	37.872	0.002	0.002	0.000	0.000	0.000	0.000
35	A	110	GLY	0	0.025	0.018	39.805	0.001	0.001	0.000	0.000	0.000	0.000
36	A	111	LYS	1	0.915	0.969	39.553	0.021	0.021	0.000	0.000	0.000	0.000
37	A	112	PRO	0	0.043	0.011	38.520	-0.002	-0.002	0.000	0.000	0.000	0.000
38	A	113	ALA	0	-0.071	-0.037	34.156	0.001	0.001	0.000	0.000	0.000	0.000
39	A	114	PRO	0	0.052	0.047	33.886	-0.003	-0.003	0.000	0.000	0.000	0.000
40	A	115	MET	0	0.002	-0.012	27.873	-0.001	-0.001	0.000	0.000	0.000	0.000
41	A	116	ILE	0	-0.029	-0.018	29.323	-0.001	-0.001	0.000	0.000	0.000	0.000
42	A	117	SER	0	-0.007	-0.010	32.945	0.002	0.002	0.000	0.000	0.000	0.000
43	A	118	ASP	-1	-0.822	-0.896	36.108	-0.023	-0.023	0.000	0.000	0.000	0.000
44	A	119	ASP	-1	-0.922	-0.970	37.855	-0.019	-0.019	0.000	0.000	0.000	0.000
45	A	120	VAL	0	0.019	0.003	31.835	0.000	0.000	0.000	0.000	0.000	0.000
46	A	121	TYR	0	-0.004	-0.027	34.521	-0.001	-0.001	0.000	0.000	0.000	0.000
47	A	122	ASN	0	0.000	-0.006	35.725	-0.001	-0.001	0.000	0.000	0.000	0.000
48	A	123	ILE	0	-0.023	0.012	34.813	0.000	0.000	0.000	0.000	0.000	0.000
49	A	124	VAL	0	0.033	0.007	31.340	0.000	0.000	0.000	0.000	0.000	0.000
50	A	125	MET	0	-0.078	-0.038	33.883	-0.001	-0.001	0.000	0.000	0.000	0.000
51	A	126	GLU	-1	-0.877	-0.925	36.787	-0.019	-0.019	0.000	0.000	0.000	0.000
52	A	127	ASN	0	-0.044	-0.025	34.680	0.002	0.002	0.000	0.000	0.000	0.000
53	A	128	LYS	1	0.944	0.981	33.033	0.029	0.029	0.000	0.000	0.000	0.000
54	A	129	ASP	-1	-0.918	-0.950	31.936	-0.033	-0.033	0.000	0.000	0.000	0.000
55	A	130	LYS	1	0.960	1.005	31.469	0.018	0.018	0.000	0.000	0.000	0.000
56	A	131	LEU	0	0.014	0.016	29.682	-0.002	-0.002	0.000	0.000	0.000	0.000
57	A	132	ASN	0	-0.022	-0.028	27.674	-0.007	-0.007	0.000	0.000	0.000	0.000
58	A	133	SER	0	-0.069	-0.066	26.544	-0.005	-0.005	0.000	0.000	0.000	0.000
59	A	134	ALA	0	0.010	0.020	26.824	0.000	0.000	0.000	0.000	0.000	0.000
60	A	135	ILE	0	-0.065	-0.024	21.570	-0.001	-0.001	0.000	0.000	0.000	0.000
61	A	136	VAL	0	0.037	0.027	18.649	-0.005	-0.005	0.000	0.000	0.000	0.000
62	A	137	TYR	0	0.035	-0.016	18.317	-0.011	-0.011	0.000	0.000	0.000	0.000
63	A	138	ASP	-1	-0.888	-0.933	15.251	-0.168	-0.168	0.000	0.000	0.000	0.000
64	A	139	ARG	1	0.899	0.928	13.613	0.008	0.008	0.000	0.000	0.000	0.000
65	A	140	ASP	-1	-0.758	-0.876	13.417	-0.160	-0.160	0.000	0.000	0.000	0.000
66	A	141	PHE	0	-0.069	-0.041	8.844	-0.086	-0.086	0.000	0.000	0.000	0.000
67	A	142	GLN	0	-0.045	0.007	8.453	-0.013	-0.013	0.000	0.000	0.000	0.000
68	A	143	TYR	0	-0.006	0.014	9.405	0.135	0.135	0.000	0.000	0.000	0.000
69	A	144	SER	0	0.031	0.013	6.100	-0.217	-0.217	0.000	0.000	0.000	0.000
70	A	145	TYR	0	0.059	0.005	2.310	-2.136	-0.760	2.130	-1.159	-2.347	-0.002
71	A	146	PHE	0	-0.025	-0.008	4.892	-0.241	-0.247	-0.001	-0.004	0.010	0.000
72	A	147	GLY	0	0.098	0.078	8.174	-0.009	-0.009	0.000	0.000	0.000	0.000
73	A	148	PHE	0	0.080	0.032	8.999	-0.023	-0.023	0.000	0.000	0.000	0.000
74	A	149	LYS	1	0.952	0.972	9.393	0.216	0.216	0.000	0.000	0.000	0.000
75	A	150	THR	0	-0.034	-0.023	11.289	0.027	0.027	0.000	0.000	0.000	0.000
76	A	151	LEU	0	0.029	0.009	13.782	0.012	0.012	0.000	0.000	0.000	0.000
77	A	152	GLU	-1	-0.930	-0.973	13.326	-0.166	-0.166	0.000	0.000	0.000	0.000
78	A	153	ARG	1	0.853	0.938	15.150	0.096	0.096	0.000	0.000	0.000	0.000
79	A	154	SER	0	-0.025	-0.038	16.989	0.006	0.006	0.000	0.000	0.000	0.000
80	A	155	TYR	0	-0.025	-0.029	18.140	0.009	0.009	0.000	0.000	0.000	0.000
81	A	156	LEU	0	-0.038	0.004	16.209	0.005	0.005	0.000	0.000	0.000	0.000
82	A	157	LEU	0	0.042	0.027	20.405	-0.001	-0.001	0.000	0.000	0.000	0.000
83	A	158	ARG	1	0.841	0.908	18.400	0.093	0.093	0.000	0.000	0.000	0.000
84	A	159	ILE	0	0.053	0.048	24.465	0.006	0.006	0.000	0.000	0.000	0.000
85	A	160	ASN	0	0.045	0.011	26.676	0.006	0.006	0.000	0.000	0.000	0.000
86	A	161	GLY	0	-0.026	0.003	25.216	0.001	0.001	0.000	0.000	0.000	0.000
87	A	162	GLN	0	-0.012	-0.015	21.817	-0.005	-0.005	0.000	0.000	0.000	0.000
88	A	163	VAL	0	0.004	0.004	17.967	0.008	0.008	0.000	0.000	0.000	0.000
89	A	164	ALA	0	0.006	0.006	21.085	-0.002	-0.002	0.000	0.000	0.000	0.000
90	A	165	GLU	-1	-0.768	-0.861	21.791	-0.068	-0.068	0.000	0.000	0.000	0.000
91	A	166	ARG	1	0.913	0.957	18.212	0.119	0.119	0.000	0.000	0.000	0.000
92	A	167	PRO	0	0.019	-0.009	14.437	0.018	0.018	0.000	0.000	0.000	0.000
93	A	168	GLN	0	0.006	0.016	16.217	0.038	0.038	0.000	0.000	0.000	0.000
94	A	169	HIS	0	0.014	0.011	19.656	0.009	0.009	0.000	0.000	0.000	0.000
95	A	170	LEU	0	0.023	0.039	19.904	0.009	0.009	0.000	0.000	0.000	0.000
96	A	171	ILE	0	-0.001	-0.008	18.221	0.009	0.009	0.000	0.000	0.000	0.000
97	A	172	MET	0	-0.001	0.030	22.248	0.009	0.009	0.000	0.000	0.000	0.000
98	A	173	ARG	1	0.785	0.862	23.971	0.057	0.057	0.000	0.000	0.000	0.000
99	A	174	VAL	0	-0.018	-0.004	23.992	0.005	0.005	0.000	0.000	0.000	0.000
100	A	175	ALA	0	0.006	0.005	26.020	0.005	0.005	0.000	0.000	0.000	0.000
101	A	176	LEU	0	-0.011	-0.015	27.656	0.003	0.003	0.000	0.000	0.000	0.000
102	A	177	GLY	0	-0.037	-0.016	29.784	0.002	0.002	0.000	0.000	0.000	0.000
103	A	178	ILE	0	-0.044	-0.020	27.957	0.002	0.002	0.000	0.000	0.000	0.000
104	A	179	HIS	0	-0.007	-0.015	30.063	0.001	0.001	0.000	0.000	0.000	0.000
105	A	180	GLY	0	-0.004	0.010	33.523	0.001	0.001	0.000	0.000	0.000	0.000
106	A	181	ARG	1	0.881	0.893	35.376	0.017	0.017	0.000	0.000	0.000	0.000
107	A	182	ASP	-1	-0.857	-0.908	35.730	-0.012	-0.012	0.000	0.000	0.000	0.000
108	A	183	ILE	0	0.021	-0.014	33.181	-0.001	-0.001	0.000	0.000	0.000	0.000
109	A	184	GLU	-1	-0.875	-0.929	32.477	-0.017	-0.017	0.000	0.000	0.000	0.000
110	A	185	ALA	0	0.032	0.026	31.706	-0.001	-0.001	0.000	0.000	0.000	0.000
111	A	186	ALA	0	-0.024	-0.022	30.133	0.000	0.000	0.000	0.000	0.000	0.000
112	A	187	LEU	0	0.002	-0.012	28.163	-0.003	-0.003	0.000	0.000	0.000	0.000
113	A	188	GLU	-1	-0.917	-0.946	26.943	-0.007	-0.007	0.000	0.000	0.000	0.000
114	A	189	THR	0	0.009	0.003	25.986	0.002	0.002	0.000	0.000	0.000	0.000
115	A	190	TYR	0	0.029	-0.031	20.151	0.001	0.001	0.000	0.000	0.000	0.000
116	A	191	ASN	0	-0.004	0.059	22.321	-0.009	-0.009	0.000	0.000	0.000	0.000
117	A	192	LEU	0	0.012	0.013	21.382	0.002	0.002	0.000	0.000	0.000	0.000
118	A	193	MET	0	-0.027	-0.003	20.781	0.006	0.006	0.000	0.000	0.000	0.000
119	A	194	SER	0	-0.085	-0.105	18.179	0.004	0.004	0.000	0.000	0.000	0.000
120	A	195	LEU	0	-0.077	-0.037	16.691	-0.012	-0.012	0.000	0.000	0.000	0.000
121	A	196	LYS	1	0.791	0.894	10.956	-0.147	-0.147	0.000	0.000	0.000	0.000
122	A	197	TYR	0	0.049	0.029	17.254	0.015	0.015	0.000	0.000	0.000	0.000
123	A	198	PHE	0	-0.019	-0.016	20.445	0.005	0.005	0.000	0.000	0.000	0.000
124	A	199	THR	0	0.001	0.003	19.645	-0.008	-0.008	0.000	0.000	0.000	0.000
125	A	200	HIS	0	0.091	0.033	21.864	0.003	0.003	0.000	0.000	0.000	0.000
126	A	201	ALA	0	0.038	0.024	23.143	-0.001	-0.001	0.000	0.000	0.000	0.000
127	A	202	SER	0	0.048	0.028	22.190	-0.005	-0.005	0.000	0.000	0.000	0.000
128	A	203	PRO	0	0.054	0.036	23.899	-0.004	-0.004	0.000	0.000	0.000	0.000
129	A	204	THR	0	-0.020	-0.029	26.651	-0.001	-0.001	0.000	0.000	0.000	0.000
130	A	205	LEU	0	-0.034	-0.021	20.419	-0.003	-0.003	0.000	0.000	0.000	0.000
131	A	206	PHE	0	-0.030	-0.009	22.027	-0.005	-0.005	0.000	0.000	0.000	0.000
132	A	207	ASN	0	-0.018	-0.014	25.569	-0.005	-0.005	0.000	0.000	0.000	0.000
133	A	208	ALA	0	0.035	0.031	27.846	0.001	0.001	0.000	0.000	0.000	0.000
134	A	209	GLY	0	0.047	0.009	28.960	-0.004	-0.004	0.000	0.000	0.000	0.000
135	A	210	THR	0	-0.076	-0.035	29.514	-0.001	-0.001	0.000	0.000	0.000	0.000
136	A	211	PRO	0	0.013	-0.009	32.516	0.002	0.002	0.000	0.000	0.000	0.000
137	A	212	LYS	1	0.901	0.961	34.787	0.024	0.024	0.000	0.000	0.000	0.000
138	A	213	PRO	0	0.026	0.039	32.987	-0.001	-0.001	0.000	0.000	0.000	0.000
139	A	214	GLN	0	0.076	0.044	32.868	0.002	0.002	0.000	0.000	0.000	0.000
140	A	215	MET	0	-0.031	-0.016	30.458	-0.002	-0.002	0.000	0.000	0.000	0.000
141	A	216	SER	0	0.023	0.034	30.227	0.001	0.001	0.000	0.000	0.000	0.000
142	A	217	SER	0	-0.040	-0.028	28.861	-0.002	-0.002	0.000	0.000	0.000	0.000
143	A	218	CYS	0	-0.114	0.010	30.757	0.001	0.001	0.000	0.000	0.000	0.000
144	A	219	PHE	0	0.044	0.019	33.466	0.000	0.000	0.000	0.000	0.000	0.000
145	A	220	LEU	0	-0.060	-0.043	37.038	0.000	0.000	0.000	0.000	0.000	0.000
146	A	221	VAL	0	0.035	0.011	39.874	0.000	0.000	0.000	0.000	0.000	0.000
147	A	222	ALA	0	0.030	0.014	42.774	0.000	0.000	0.000	0.000	0.000	0.000
148	A	223	MET	0	-0.006	0.000	46.327	-0.001	-0.001	0.000	0.000	0.000	0.000
149	A	224	LYS	1	0.802	0.890	48.222	0.008	0.008	0.000	0.000	0.000	0.000
150	A	225	GLU	-1	-0.828	-0.905	51.134	-0.005	-0.005	0.000	0.000	0.000	0.000
151	A	226	ASP	-1	-0.892	-0.937	53.487	-0.005	-0.005	0.000	0.000	0.000	0.000
152	A	227	SER	0	-0.034	-0.050	54.940	0.000	0.000	0.000	0.000	0.000	0.000
153	A	228	ILE	0	0.001	-0.003	54.704	0.000	0.000	0.000	0.000	0.000	0.000
154	A	229	GLU	-1	-0.891	-0.945	54.131	-0.007	-0.007	0.000	0.000	0.000	0.000
155	A	230	GLY	0	0.094	0.066	53.245	0.000	0.000	0.000	0.000	0.000	0.000
156	A	231	ILE	0	-0.012	-0.008	49.583	0.000	0.000	0.000	0.000	0.000	0.000
157	A	232	TYR	0	-0.013	-0.023	49.154	0.000	0.000	0.000	0.000	0.000	0.000
158	A	233	ASP	-1	-0.876	-0.921	49.444	-0.009	-0.009	0.000	0.000	0.000	0.000
159	A	234	THR	0	-0.027	-0.034	45.585	0.000	0.000	0.000	0.000	0.000	0.000
160	A	235	LEU	0	-0.039	-0.017	44.333	-0.001	-0.001	0.000	0.000	0.000	0.000
161	A	236	LYS	1	0.911	0.957	44.539	0.009	0.009	0.000	0.000	0.000	0.000
162	A	237	GLU	-1	-0.808	-0.908	43.354	-0.010	-0.010	0.000	0.000	0.000	0.000
163	A	238	CYS	0	-0.037	-0.017	40.752	0.000	0.000	0.000	0.000	0.000	0.000
164	A	239	ALA	0	0.014	0.028	39.876	-0.001	-0.001	0.000	0.000	0.000	0.000
165	A	240	LEU	0	-0.049	-0.041	40.001	-0.001	-0.001	0.000	0.000	0.000	0.000
166	A	241	ILE	0	-0.021	-0.012	36.924	-0.001	-0.001	0.000	0.000	0.000	0.000
167	A	242	SER	0	0.020	-0.011	35.877	0.000	0.000	0.000	0.000	0.000	0.000
168	A	243	LYS	1	0.940	0.997	35.243	0.016	0.016	0.000	0.000	0.000	0.000
169	A	244	THR	0	-0.152	-0.064	33.580	-0.002	-0.002	0.000	0.000	0.000	0.000
170	A	245	ALA	0	0.031	0.027	30.507	-0.001	-0.001	0.000	0.000	0.000	0.000
171	A	246	GLY	0	-0.018	-0.007	30.916	0.001	0.001	0.000	0.000	0.000	0.000
172	A	247	GLY	0	-0.039	-0.021	31.787	0.000	0.000	0.000	0.000	0.000	0.000
173	A	248	ILE	0	0.068	0.026	33.032	0.001	0.001	0.000	0.000	0.000	0.000
174	A	249	GLY	0	-0.017	0.009	36.644	0.000	0.000	0.000	0.000	0.000	0.000
175	A	250	LEU	0	-0.009	-0.001	38.329	0.000	0.000	0.000	0.000	0.000	0.000
176	A	251	HIS	0	0.002	0.010	41.835	0.000	0.000	0.000	0.000	0.000	0.000
177	A	252	ILE	0	0.026	0.004	44.619	0.000	0.000	0.000	0.000	0.000	0.000
178	A	253	HIS	0	-0.024	-0.019	45.709	0.000	0.000	0.000	0.000	0.000	0.000
179	A	254	ASN	0	-0.023	-0.020	49.856	0.000	0.000	0.000	0.000	0.000	0.000
180	A	255	ILE	0	-0.009	0.013	50.058	0.000	0.000	0.000	0.000	0.000	0.000
181	A	256	ARG	1	0.924	0.960	52.699	0.005	0.005	0.000	0.000	0.000	0.000
182	A	257	SER	0	0.011	0.012	54.092	0.000	0.000	0.000	0.000	0.000	0.000
183	A	258	THR	0	-0.054	-0.045	53.783	0.000	0.000	0.000	0.000	0.000	0.000
184	A	259	GLY	0	-0.034	-0.017	56.273	0.000	0.000	0.000	0.000	0.000	0.000
185	A	260	SER	0	-0.072	-0.019	58.705	0.000	0.000	0.000	0.000	0.000	0.000
186	A	261	TYR	0	0.017	0.001	60.970	0.000	0.000	0.000	0.000	0.000	0.000
187	A	262	ILE	0	-0.007	-0.014	59.516	0.000	0.000	0.000	0.000	0.000	0.000
188	A	263	ALA	0	0.024	0.006	63.260	0.000	0.000	0.000	0.000	0.000	0.000
189	A	264	GLY	0	-0.019	-0.015	64.058	0.000	0.000	0.000	0.000	0.000	0.000
190	A	265	THR	0	-0.016	-0.009	64.056	0.000	0.000	0.000	0.000	0.000	0.000
191	A	266	ASN	0	0.024	0.025	65.325	0.000	0.000	0.000	0.000	0.000	0.000
192	A	267	GLY	0	-0.037	-0.020	64.156	0.000	0.000	0.000	0.000	0.000	0.000
193	A	268	THR	0	0.004	0.001	59.975	0.000	0.000	0.000	0.000	0.000	0.000
194	A	269	SER	0	0.041	0.052	55.952	0.000	0.000	0.000	0.000	0.000	0.000
195	A	270	ASN	0	0.029	-0.005	54.701	0.000	0.000	0.000	0.000	0.000	0.000
196	A	271	GLY	0	0.010	0.018	53.188	0.000	0.000	0.000	0.000	0.000	0.000
197	A	272	LEU	0	0.010	0.005	47.805	0.000	0.000	0.000	0.000	0.000	0.000
198	A	273	ILE	0	0.023	0.041	46.528	0.000	0.000	0.000	0.000	0.000	0.000
199	A	274	PRO	0	0.008	-0.007	47.163	-0.001	-0.001	0.000	0.000	0.000	0.000
200	A	275	MET	0	0.061	0.037	46.915	0.000	0.000	0.000	0.000	0.000	0.000
201	A	276	ILE	0	0.010	0.000	42.690	-0.001	-0.001	0.000	0.000	0.000	0.000
202	A	277	ARG	1	0.940	0.960	43.717	0.009	0.009	0.000	0.000	0.000	0.000
203	A	278	VAL	0	-0.021	0.003	44.331	-0.001	-0.001	0.000	0.000	0.000	0.000
204	A	279	PHE	0	0.045	0.008	42.103	-0.001	-0.001	0.000	0.000	0.000	0.000
205	A	280	ASN	0	-0.005	-0.006	38.512	-0.001	-0.001	0.000	0.000	0.000	0.000
206	A	281	ASN	0	-0.084	-0.047	39.729	-0.001	-0.001	0.000	0.000	0.000	0.000
207	A	282	THR	0	0.007	-0.008	41.145	-0.001	-0.001	0.000	0.000	0.000	0.000
208	A	283	ALA	0	0.037	0.034	36.788	-0.001	-0.001	0.000	0.000	0.000	0.000
209	A	284	ARG	1	0.914	0.948	36.406	0.015	0.015	0.000	0.000	0.000	0.000
210	A	285	TYR	0	-0.090	-0.031	37.035	-0.001	-0.001	0.000	0.000	0.000	0.000
211	A	286	VAL	0	-0.039	-0.003	37.379	-0.001	-0.001	0.000	0.000	0.000	0.000
212	A	287	ASP	-1	-0.901	-0.949	32.474	-0.022	-0.022	0.000	0.000	0.000	0.000
213	A	295	GLY	0	0.033	0.011	30.288	0.000	0.000	0.000	0.000	0.000	0.000
214	A	296	ALA	0	-0.034	0.002	30.616	0.001	0.001	0.000	0.000	0.000	0.000
215	A	297	PHE	0	0.046	-0.001	32.420	0.001	0.001	0.000	0.000	0.000	0.000
216	A	298	ALA	0	-0.037	0.003	35.166	0.000	0.000	0.000	0.000	0.000	0.000
217	A	299	LEU	0	-0.017	-0.008	36.858	0.000	0.000	0.000	0.000	0.000	0.000
218	A	300	TYR	0	0.017	-0.028	36.420	0.001	0.001	0.000	0.000	0.000	0.000
219	A	301	LEU	0	-0.008	-0.014	42.411	0.000	0.000	0.000	0.000	0.000	0.000
220	A	302	GLU	-1	-0.769	-0.873	45.135	-0.001	-0.001	0.000	0.000	0.000	0.000
221	A	303	PRO	0	0.015	-0.002	46.383	0.000	0.000	0.000	0.000	0.000	0.000
222	A	304	TRP	0	-0.001	0.014	48.448	0.000	0.000	0.000	0.000	0.000	0.000
223	A	305	HIS	0	0.012	0.004	50.183	0.000	0.000	0.000	0.000	0.000	0.000
224	A	306	ALA	0	-0.004	-0.022	51.750	0.000	0.000	0.000	0.000	0.000	0.000
225	A	307	ASP	-1	-0.774	-0.883	50.401	-0.005	-0.005	0.000	0.000	0.000	0.000
226	A	308	ILE	0	-0.063	-0.024	45.950	0.000	0.000	0.000	0.000	0.000	0.000
227	A	309	PHE	0	-0.018	-0.025	46.965	0.000	0.000	0.000	0.000	0.000	0.000
228	A	310	ASP	-1	-0.869	-0.928	46.714	-0.006	-0.006	0.000	0.000	0.000	0.000
229	A	311	PHE	0	-0.074	-0.030	42.249	-0.001	-0.001	0.000	0.000	0.000	0.000
230	A	312	ILE	0	-0.029	-0.028	42.293	0.000	0.000	0.000	0.000	0.000	0.000
231	A	313	ASP	-1	-0.834	-0.912	41.293	-0.006	-0.006	0.000	0.000	0.000	0.000
232	A	314	ILE	0	-0.069	-0.020	39.526	-0.001	-0.001	0.000	0.000	0.000	0.000
233	A	315	ARG	1	0.916	0.945	31.968	0.012	0.012	0.000	0.000	0.000	0.000
234	A	316	LYS	1	0.882	0.952	37.404	0.005	0.005	0.000	0.000	0.000	0.000
235	A	317	ASN	0	-0.036	-0.024	38.108	-0.001	-0.001	0.000	0.000	0.000	0.000
236	A	318	HIS	0	0.035	0.011	39.969	0.000	0.000	0.000	0.000	0.000	0.000
237	A	319	GLY	0	-0.068	-0.015	43.461	0.000	0.000	0.000	0.000	0.000	0.000
238	A	320	LYS	1	0.956	0.980	46.350	0.007	0.007	0.000	0.000	0.000	0.000
239	A	321	GLU	-1	-0.853	-0.933	46.173	-0.009	-0.009	0.000	0.000	0.000	0.000
240	A	322	GLU	-1	-1.008	-1.002	46.233	-0.008	-0.008	0.000	0.000	0.000	0.000
241	A	323	ILE	0	-0.045	-0.037	46.747	0.000	0.000	0.000	0.000	0.000	0.000
242	A	324	ARG	1	0.950	0.978	41.460	0.009	0.009	0.000	0.000	0.000	0.000
243	A	325	ALA	0	-0.011	-0.022	39.770	0.000	0.000	0.000	0.000	0.000	0.000
244	A	326	ARG	1	0.909	0.966	33.637	0.018	0.018	0.000	0.000	0.000	0.000
245	A	327	ASP	-1	-0.921	-0.964	32.564	-0.020	-0.020	0.000	0.000	0.000	0.000
246	A	328	LEU	0	0.005	0.016	34.637	0.000	0.000	0.000	0.000	0.000	0.000
247	A	329	PHE	0	-0.011	-0.023	30.494	0.000	0.000	0.000	0.000	0.000	0.000
248	A	330	PRO	0	0.032	0.041	35.993	0.000	0.000	0.000	0.000	0.000	0.000
249	A	331	ALA	0	0.020	-0.001	37.788	0.000	0.000	0.000	0.000	0.000	0.000
250	A	332	LEU	0	-0.010	-0.017	39.311	0.000	0.000	0.000	0.000	0.000	0.000
251	A	333	TRP	0	-0.008	-0.006	40.766	0.001	0.001	0.000	0.000	0.000	0.000
252	A	334	ILE	0	-0.004	-0.024	42.775	0.000	0.000	0.000	0.000	0.000	0.000
253	A	335	PRO	0	0.030	0.026	45.363	0.000	0.000	0.000	0.000	0.000	0.000
254	A	336	ASP	-1	-0.754	-0.900	47.249	0.002	0.002	0.000	0.000	0.000	0.000
255	A	337	LEU	0	-0.004	-0.001	49.094	0.000	0.000	0.000	0.000	0.000	0.000
256	A	338	PHE	0	-0.040	-0.007	46.211	0.000	0.000	0.000	0.000	0.000	0.000
257	A	339	MET	0	-0.011	0.003	43.590	0.000	0.000	0.000	0.000	0.000	0.000
258	A	340	LYS	1	0.925	0.961	48.288	-0.001	-0.001	0.000	0.000	0.000	0.000
259	A	341	ARG	1	0.824	0.892	51.583	0.000	0.000	0.000	0.000	0.000	0.000
260	A	342	VAL	0	-0.019	-0.011	47.531	0.000	0.000	0.000	0.000	0.000	0.000
261	A	343	GLU	-1	-0.841	-0.894	49.324	0.003	0.003	0.000	0.000	0.000	0.000
262	A	344	GLU	-1	-0.980	-0.993	50.932	0.001	0.001	0.000	0.000	0.000	0.000
263	A	345	ASN	0	-0.085	-0.044	53.361	0.000	0.000	0.000	0.000	0.000	0.000
264	A	346	GLY	0	0.066	0.049	54.732	0.000	0.000	0.000	0.000	0.000	0.000
265	A	347	THR	0	-0.050	-0.034	56.112	0.000	0.000	0.000	0.000	0.000	0.000
266	A	348	TRP	0	0.018	-0.011	51.094	0.000	0.000	0.000	0.000	0.000	0.000
267	A	349	THR	0	0.017	-0.013	55.582	0.000	0.000	0.000	0.000	0.000	0.000
268	A	350	LEU	0	-0.024	0.007	52.640	0.000	0.000	0.000	0.000	0.000	0.000
269	A	351	PHE	0	0.051	0.005	55.373	0.000	0.000	0.000	0.000	0.000	0.000
270	A	352	SER	0	0.017	0.043	55.462	0.000	0.000	0.000	0.000	0.000	0.000
271	A	353	PRO	0	0.074	0.018	54.279	0.000	0.000	0.000	0.000	0.000	0.000
272	A	354	THR	0	-0.059	-0.046	56.909	0.000	0.000	0.000	0.000	0.000	0.000
273	A	355	SER	0	-0.002	-0.005	60.092	0.000	0.000	0.000	0.000	0.000	0.000
274	A	356	ALA	0	-0.037	-0.007	58.366	0.000	0.000	0.000	0.000	0.000	0.000
275	A	357	PRO	0	0.049	0.034	58.174	0.000	0.000	0.000	0.000	0.000	0.000
276	A	358	GLY	0	0.066	0.030	57.076	0.000	0.000	0.000	0.000	0.000	0.000
277	A	359	LEU	0	0.011	0.026	54.092	0.000	0.000	0.000	0.000	0.000	0.000
278	A	360	SER	0	-0.037	-0.026	50.193	0.000	0.000	0.000	0.000	0.000	0.000
279	A	361	ASP	-1	-0.929	-0.977	51.078	-0.002	-0.002	0.000	0.000	0.000	0.000
280	A	362	CYS	0	0.012	0.039	53.334	0.000	0.000	0.000	0.000	0.000	0.000
281	A	363	TYR	0	-0.011	-0.046	50.067	0.000	0.000	0.000	0.000	0.000	0.000
282	A	364	GLY	0	0.006	-0.002	51.396	0.000	0.000	0.000	0.000	0.000	0.000
283	A	365	ASP	-1	-0.866	-0.940	52.854	0.001	0.001	0.000	0.000	0.000	0.000
284	A	366	GLU	-1	-0.955	-0.971	56.461	-0.001	-0.001	0.000	0.000	0.000	0.000
285	A	367	PHE	0	-0.025	-0.021	53.249	0.000	0.000	0.000	0.000	0.000	0.000
286	A	368	GLU	-1	-0.887	-0.951	53.897	0.001	0.001	0.000	0.000	0.000	0.000
287	A	369	ALA	0	-0.006	0.002	57.190	0.000	0.000	0.000	0.000	0.000	0.000
288	A	370	LEU	0	-0.033	-0.020	58.126	0.000	0.000	0.000	0.000	0.000	0.000
289	A	371	TYR	0	-0.018	-0.017	54.993	0.000	0.000	0.000	0.000	0.000	0.000
290	A	372	THR	0	0.019	0.004	58.650	0.000	0.000	0.000	0.000	0.000	0.000
291	A	373	ARG	1	0.856	0.937	61.206	0.001	0.001	0.000	0.000	0.000	0.000
292	A	374	TYR	0	-0.030	-0.049	59.476	0.000	0.000	0.000	0.000	0.000	0.000
293	A	375	GLU	-1	-0.773	-0.869	58.968	-0.001	-0.001	0.000	0.000	0.000	0.000
294	A	376	LYS	1	0.906	0.945	62.395	0.000	0.000	0.000	0.000	0.000	0.000
295	A	377	GLU	-1	-0.856	-0.917	65.776	-0.002	-0.002	0.000	0.000	0.000	0.000
296	A	378	GLY	0	0.006	0.010	65.265	0.000	0.000	0.000	0.000	0.000	0.000
297	A	379	ARG	1	0.806	0.917	62.771	0.002	0.002	0.000	0.000	0.000	0.000
298	A	380	GLY	0	0.021	0.010	60.373	0.000	0.000	0.000	0.000	0.000	0.000
299	A	381	LYS	1	0.929	0.977	57.334	0.003	0.003	0.000	0.000	0.000	0.000
300	A	382	THR	0	-0.016	-0.008	58.352	0.000	0.000	0.000	0.000	0.000	0.000
301	A	383	ILE	0	-0.049	-0.024	54.056	0.000	0.000	0.000	0.000	0.000	0.000
302	A	384	LYS	1	0.966	0.982	55.213	0.001	0.001	0.000	0.000	0.000	0.000
303	A	385	ALA	0	0.055	0.019	52.000	0.000	0.000	0.000	0.000	0.000	0.000
304	A	386	GLN	0	0.007	-0.014	49.759	0.000	0.000	0.000	0.000	0.000	0.000
305	A	387	LYS	1	0.896	0.977	49.691	0.003	0.003	0.000	0.000	0.000	0.000
306	A	388	LEU	0	0.034	0.009	47.305	0.000	0.000	0.000	0.000	0.000	0.000
307	A	389	TRP	0	0.019	0.016	42.139	0.000	0.000	0.000	0.000	0.000	0.000
308	A	390	TYR	0	-0.034	-0.024	44.993	0.000	0.000	0.000	0.000	0.000	0.000
309	A	391	SER	0	0.037	0.007	44.637	0.000	0.000	0.000	0.000	0.000	0.000
310	A	392	ILE	0	0.015	0.008	41.283	0.000	0.000	0.000	0.000	0.000	0.000
311	A	393	LEU	0	-0.047	-0.023	40.492	0.000	0.000	0.000	0.000	0.000	0.000
312	A	394	GLU	-1	-0.899	-0.948	39.700	-0.004	-0.004	0.000	0.000	0.000	0.000
313	A	395	ALA	0	0.038	0.032	39.532	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	396	GLN	0	-0.012	0.005	36.456	0.000	0.000	0.000	0.000	0.000	0.000
315	A	397	THR	0	-0.053	-0.032	35.196	0.000	0.000	0.000	0.000	0.000	0.000
316	A	398	GLU	-1	-0.935	-0.972	35.006	-0.008	-0.008	0.000	0.000	0.000	0.000
317	A	399	THR	0	-0.062	-0.028	34.279	-0.001	-0.001	0.000	0.000	0.000	0.000
318	A	400	GLY	0	-0.014	0.003	32.155	-0.001	-0.001	0.000	0.000	0.000	0.000
319	A	401	THR	0	-0.129	-0.041	33.172	0.001	0.001	0.000	0.000	0.000	0.000
320	A	402	PRO	0	0.056	-0.001	35.911	0.000	0.000	0.000	0.000	0.000	0.000
321	A	403	PHE	0	0.016	-0.003	32.241	0.001	0.001	0.000	0.000	0.000	0.000
322	A	404	VAL	0	-0.029	-0.017	36.437	0.000	0.000	0.000	0.000	0.000	0.000
323	A	405	VAL	0	0.008	0.003	37.147	0.001	0.001	0.000	0.000	0.000	0.000
324	A	406	TYR	0	0.005	-0.020	39.545	0.000	0.000	0.000	0.000	0.000	0.000
325	A	407	LYS	1	0.880	0.955	42.633	0.001	0.001	0.000	0.000	0.000	0.000
326	A	408	ASP	-1	-0.725	-0.864	45.194	0.001	0.001	0.000	0.000	0.000	0.000
327	A	409	ALA	0	-0.045	-0.002	42.546	0.000	0.000	0.000	0.000	0.000	0.000
328	A	410	CYS	0	-0.027	-0.019	41.024	0.001	0.001	0.000	0.000	0.000	0.000
329	A	411	ASN	0	-0.006	0.009	43.054	0.000	0.000	0.000	0.000	0.000	0.000
330	A	412	ARG	1	0.954	0.972	46.490	-0.003	-0.003	0.000	0.000	0.000	0.000
331	A	413	LYS	1	0.838	0.962	41.907	-0.006	-0.006	0.000	0.000	0.000	0.000
332	A	414	SER	0	0.069	0.042	42.830	0.001	0.001	0.000	0.000	0.000	0.000
333	A	415	ASN	0	0.056	0.011	43.320	0.000	0.000	0.000	0.000	0.000	0.000
334	A	416	GLN	0	0.078	0.023	42.376	-0.001	-0.001	0.000	0.000	0.000	0.000
335	A	417	LYS	1	0.839	0.921	46.010	-0.002	-0.002	0.000	0.000	0.000	0.000
336	A	418	ASN	0	-0.029	-0.008	48.817	0.000	0.000	0.000	0.000	0.000	0.000
337	A	419	LEU	0	-0.070	-0.025	46.401	0.000	0.000	0.000	0.000	0.000	0.000
338	A	420	GLY	0	0.057	0.039	50.420	0.000	0.000	0.000	0.000	0.000	0.000
339	A	421	VAL	0	-0.054	-0.019	49.013	0.000	0.000	0.000	0.000	0.000	0.000
340	A	422	ILE	0	-0.003	-0.009	43.106	0.000	0.000	0.000	0.000	0.000	0.000
341	A	423	LYS	1	0.885	0.939	45.815	0.003	0.003	0.000	0.000	0.000	0.000
342	A	424	SER	0	-0.003	0.008	40.907	0.000	0.000	0.000	0.000	0.000	0.000
343	A	425	SER	0	0.005	0.011	36.693	0.000	0.000	0.000	0.000	0.000	0.000
344	A	426	ASN	0	0.007	-0.025	31.957	0.000	0.000	0.000	0.000	0.000	0.000
345	A	427	LEU	0	-0.010	-0.006	30.404	0.001	0.001	0.000	0.000	0.000	0.000
346	A	428	CYS	0	-0.072	-0.047	28.718	-0.001	-0.001	0.000	0.000	0.000	0.000
347	A	429	CYS	0	-0.010	0.020	30.981	0.002	0.002	0.000	0.000	0.000	0.000
348	A	430	GLU	-1	-0.744	-0.871	30.693	0.002	0.002	0.000	0.000	0.000	0.000
349	A	431	ILE	0	-0.041	-0.021	32.640	0.001	0.001	0.000	0.000	0.000	0.000
350	A	432	VAL	0	-0.009	-0.002	35.687	-0.001	-0.001	0.000	0.000	0.000	0.000
351	A	433	GLH	0	-0.044	-0.059	37.519	0.001	0.001	0.000	0.000	0.000	0.000
352	A	434	TYR	0	0.001	-0.003	41.267	0.000	0.000	0.000	0.000	0.000	0.000
353	A	435	SER	0	-0.006	0.008	43.548	0.000	0.000	0.000	0.000	0.000	0.000
354	A	436	ALA	0	-0.017	-0.016	45.559	0.000	0.000	0.000	0.000	0.000	0.000
355	A	437	PRO	0	0.016	0.005	48.080	0.000	0.000	0.000	0.000	0.000	0.000
356	A	438	ASP	-1	-0.874	-0.942	49.424	-0.006	-0.006	0.000	0.000	0.000	0.000
357	A	439	GLU	-1	-0.907	-0.929	46.232	-0.004	-0.004	0.000	0.000	0.000	0.000
358	A	440	THR	0	-0.044	-0.037	40.899	0.001	0.001	0.000	0.000	0.000	0.000
359	A	441	ALA	0	0.015	0.007	40.363	0.000	0.000	0.000	0.000	0.000	0.000
360	A	442	VAL	0	0.034	0.031	35.970	-0.001	-0.001	0.000	0.000	0.000	0.000
361	A	444	ASN	0	0.021	-0.002	32.684	-0.003	-0.003	0.000	0.000	0.000	0.000
362	A	445	LEU	0	0.001	-0.002	27.969	0.001	0.001	0.000	0.000	0.000	0.000
363	A	446	ALA	0	0.007	0.002	25.901	-0.003	-0.003	0.000	0.000	0.000	0.000
364	A	447	SER	0	-0.043	-0.012	22.128	0.002	0.002	0.000	0.000	0.000	0.000
365	A	448	VAL	0	0.017	0.007	22.971	-0.001	-0.001	0.000	0.000	0.000	0.000
366	A	449	ALA	0	0.010	-0.004	17.856	0.004	0.004	0.000	0.000	0.000	0.000
367	A	450	LEU	0	-0.021	0.001	19.853	0.001	0.001	0.000	0.000	0.000	0.000
368	A	451	PRO	0	0.065	0.043	16.308	-0.007	-0.007	0.000	0.000	0.000	0.000
369	A	452	ALA	0	-0.018	0.001	18.010	0.004	0.004	0.000	0.000	0.000	0.000
370	A	453	PHE	0	-0.023	-0.020	18.876	-0.013	-0.013	0.000	0.000	0.000	0.000
371	A	454	ILE	0	-0.027	0.008	18.473	-0.008	-0.008	0.000	0.000	0.000	0.000
372	A	455	GLU	-1	-0.855	-0.926	20.697	0.036	0.036	0.000	0.000	0.000	0.000
373	A	456	THR	0	-0.097	-0.039	20.463	0.002	0.002	0.000	0.000	0.000	0.000
374	A	457	SER	0	-0.035	-0.018	22.949	-0.003	-0.003	0.000	0.000	0.000	0.000
375	A	458	GLU	-1	-0.893	-0.929	26.368	0.027	0.027	0.000	0.000	0.000	0.000
376	A	459	ASP	-1	-0.953	-0.976	27.691	0.024	0.024	0.000	0.000	0.000	0.000
377	A	460	GLY	0	0.010	0.011	26.713	-0.001	-0.001	0.000	0.000	0.000	0.000
378	A	461	LYS	1	0.905	0.953	17.720	-0.071	-0.071	0.000	0.000	0.000	0.000
379	A	462	THR	0	-0.005	-0.019	23.883	-0.002	-0.002	0.000	0.000	0.000	0.000
380	A	463	SER	0	0.007	0.009	21.000	0.002	0.002	0.000	0.000	0.000	0.000
381	A	464	THR	0	0.047	0.024	23.274	-0.001	-0.001	0.000	0.000	0.000	0.000
382	A	465	TYR	0	-0.025	-0.056	22.150	0.003	0.003	0.000	0.000	0.000	0.000
383	A	466	ASN	0	0.012	-0.010	25.086	-0.008	-0.008	0.000	0.000	0.000	0.000
384	A	467	PHE	0	0.042	-0.015	27.022	-0.001	-0.001	0.000	0.000	0.000	0.000
385	A	468	LYS	1	0.948	0.978	29.453	-0.019	-0.019	0.000	0.000	0.000	0.000
386	A	469	LYS	1	1.011	1.003	25.365	-0.018	-0.018	0.000	0.000	0.000	0.000
387	A	470	LEU	0	-0.026	0.010	25.198	-0.001	-0.001	0.000	0.000	0.000	0.000
388	A	471	HIS	0	0.018	0.031	27.413	-0.003	-0.003	0.000	0.000	0.000	0.000
389	A	472	GLU	-1	-0.934	-0.974	29.100	0.008	0.008	0.000	0.000	0.000	0.000
390	A	473	ILE	0	0.023	0.017	24.433	-0.003	-0.003	0.000	0.000	0.000	0.000
391	A	474	ALA	0	0.014	0.010	27.726	-0.003	-0.003	0.000	0.000	0.000	0.000
392	A	475	LYS	1	0.824	0.933	29.652	-0.007	-0.007	0.000	0.000	0.000	0.000
393	A	476	VAL	0	0.007	0.006	28.335	-0.002	-0.002	0.000	0.000	0.000	0.000
394	A	477	VAL	0	-0.020	-0.018	26.383	-0.003	-0.003	0.000	0.000	0.000	0.000
395	A	478	THR	0	-0.002	-0.029	29.459	-0.002	-0.002	0.000	0.000	0.000	0.000
396	A	479	ARG	1	0.910	0.969	32.982	-0.001	-0.001	0.000	0.000	0.000	0.000
397	A	480	ASN	0	-0.016	-0.016	27.954	-0.001	-0.001	0.000	0.000	0.000	0.000
398	A	481	LEU	0	0.000	-0.002	29.567	-0.002	-0.002	0.000	0.000	0.000	0.000
399	A	482	ASN	0	0.010	0.001	32.932	-0.001	-0.001	0.000	0.000	0.000	0.000
400	A	483	ARG	1	0.931	0.969	34.170	0.011	0.011	0.000	0.000	0.000	0.000
401	A	484	VAL	0	-0.022	-0.020	31.028	-0.001	-0.001	0.000	0.000	0.000	0.000
402	A	485	ILE	0	-0.027	-0.005	34.364	-0.001	-0.001	0.000	0.000	0.000	0.000
403	A	486	ASP	-1	-0.819	-0.884	37.552	-0.009	-0.009	0.000	0.000	0.000	0.000
404	A	487	ARG	1	0.755	0.894	34.821	0.018	0.018	0.000	0.000	0.000	0.000
405	A	488	ASN	0	0.027	0.035	34.860	-0.003	-0.003	0.000	0.000	0.000	0.000
406	A	489	TYR	0	-0.021	-0.020	36.184	0.000	0.000	0.000	0.000	0.000	0.000
407	A	490	TYR	0	-0.024	-0.053	37.271	0.000	0.000	0.000	0.000	0.000	0.000
408	A	491	PRO	0	-0.043	-0.009	37.520	0.000	0.000	0.000	0.000	0.000	0.000
409	A	492	VAL	0	-0.003	0.004	40.211	0.000	0.000	0.000	0.000	0.000	0.000
410	A	493	GLU	-1	-0.797	-0.890	43.303	-0.009	-0.009	0.000	0.000	0.000	0.000
411	A	494	GLU	-1	-0.769	-0.885	45.010	-0.009	-0.009	0.000	0.000	0.000	0.000
412	A	495	ALA	0	-0.002	-0.002	40.277	0.001	0.001	0.000	0.000	0.000	0.000
413	A	496	ARG	1	0.830	0.910	42.174	0.009	0.009	0.000	0.000	0.000	0.000
414	A	497	LYS	1	0.932	0.975	43.573	0.006	0.006	0.000	0.000	0.000	0.000
415	A	498	SER	0	0.021	0.019	43.042	0.000	0.000	0.000	0.000	0.000	0.000
416	A	499	ASN	0	0.021	-0.021	37.402	0.001	0.001	0.000	0.000	0.000	0.000
417	A	500	MET	0	-0.090	-0.037	41.868	0.000	0.000	0.000	0.000	0.000	0.000
418	A	501	ARG	1	0.925	0.994	44.279	0.004	0.004	0.000	0.000	0.000	0.000
419	A	502	HIS	0	0.003	-0.054	43.714	0.001	0.001	0.000	0.000	0.000	0.000
420	A	503	ARG	1	0.814	0.913	39.565	0.007	0.007	0.000	0.000	0.000	0.000
421	A	504	PRO	0	-0.018	0.022	38.441	0.001	0.001	0.000	0.000	0.000	0.000
422	A	505	ILE	0	-0.037	-0.006	33.569	-0.001	-0.001	0.000	0.000	0.000	0.000
423	A	506	ALA	0	-0.014	-0.018	31.745	0.001	0.001	0.000	0.000	0.000	0.000
424	A	507	LEU	0	-0.003	0.004	29.063	0.000	0.000	0.000	0.000	0.000	0.000
425	A	508	GLY	0	0.023	-0.019	26.926	0.000	0.000	0.000	0.000	0.000	0.000
426	A	509	VAL	0	-0.046	-0.022	23.752	0.000	0.000	0.000	0.000	0.000	0.000
427	A	510	GLN	0	0.019	0.006	17.314	0.013	0.013	0.000	0.000	0.000	0.000
428	A	511	GLY	0	0.074	0.041	17.788	0.003	0.003	0.000	0.000	0.000	0.000
429	A	512	LEU	0	-0.008	0.025	18.412	0.003	0.003	0.000	0.000	0.000	0.000
430	A	513	ALA	0	0.008	0.002	18.312	0.002	0.002	0.000	0.000	0.000	0.000
431	A	514	ASP	-1	-0.803	-0.878	14.095	0.204	0.204	0.000	0.000	0.000	0.000
432	A	515	THR	0	0.017	-0.015	17.001	0.002	0.002	0.000	0.000	0.000	0.000
433	A	516	PHE	0	-0.026	-0.004	19.710	-0.005	-0.005	0.000	0.000	0.000	0.000
434	A	517	MET	0	0.016	0.027	15.125	-0.003	-0.003	0.000	0.000	0.000	0.000
435	A	518	LEU	0	-0.025	-0.019	14.481	0.003	0.003	0.000	0.000	0.000	0.000
436	A	519	LEU	0	-0.043	-0.012	17.691	-0.006	-0.006	0.000	0.000	0.000	0.000
437	A	520	ARG	1	0.798	0.897	16.438	-0.090	-0.090	0.000	0.000	0.000	0.000
438	A	521	LEU	0	0.014	0.005	21.401	-0.009	-0.009	0.000	0.000	0.000	0.000
439	A	522	PRO	0	0.055	0.021	23.075	0.004	0.004	0.000	0.000	0.000	0.000
440	A	523	PHE	0	-0.006	-0.007	22.637	-0.003	-0.003	0.000	0.000	0.000	0.000
441	A	524	ASP	-1	-0.901	-0.961	25.146	0.024	0.024	0.000	0.000	0.000	0.000
442	A	525	SER	0	-0.012	0.014	27.133	-0.003	-0.003	0.000	0.000	0.000	0.000
443	A	526	GLU	-1	-0.869	-0.949	29.338	0.021	0.021	0.000	0.000	0.000	0.000
444	A	527	GLU	-1	-0.875	-0.948	28.350	0.029	0.029	0.000	0.000	0.000	0.000
445	A	528	ALA	0	-0.006	0.001	26.201	0.001	0.001	0.000	0.000	0.000	0.000
446	A	529	ARG	1	0.894	0.954	27.864	-0.018	-0.018	0.000	0.000	0.000	0.000
447	A	530	LEU	0	-0.020	-0.004	31.074	-0.001	-0.001	0.000	0.000	0.000	0.000
448	A	531	LEU	0	0.036	0.017	24.558	-0.001	-0.001	0.000	0.000	0.000	0.000
449	A	532	ASN	0	-0.015	-0.013	28.304	0.002	0.002	0.000	0.000	0.000	0.000
450	A	533	ILE	0	-0.001	-0.004	29.242	-0.001	-0.001	0.000	0.000	0.000	0.000
451	A	534	GLN	0	0.023	0.018	30.795	0.001	0.001	0.000	0.000	0.000	0.000
452	A	535	ILE	0	0.017	0.012	24.934	-0.002	-0.002	0.000	0.000	0.000	0.000
453	A	536	PHE	0	0.008	-0.026	27.361	-0.002	-0.002	0.000	0.000	0.000	0.000
454	A	537	GLU	-1	-0.756	-0.860	31.274	0.013	0.013	0.000	0.000	0.000	0.000
455	A	538	THR	0	-0.029	-0.018	30.162	-0.002	-0.002	0.000	0.000	0.000	0.000
456	A	539	ILE	0	0.024	0.011	27.127	-0.002	-0.002	0.000	0.000	0.000	0.000
457	A	540	TYR	0	0.038	0.018	31.467	-0.002	-0.002	0.000	0.000	0.000	0.000
458	A	541	HIS	1	0.824	0.901	34.894	-0.012	-0.012	0.000	0.000	0.000	0.000
459	A	542	ALA	0	-0.005	0.006	32.609	-0.001	-0.001	0.000	0.000	0.000	0.000
460	A	543	SER	0	-0.022	-0.011	33.381	-0.002	-0.002	0.000	0.000	0.000	0.000
461	A	544	MET	0	0.025	0.008	35.098	-0.002	-0.002	0.000	0.000	0.000	0.000
462	A	545	GLU	-1	-0.847	-0.924	37.714	0.006	0.006	0.000	0.000	0.000	0.000
463	A	546	ALA	0	-0.032	-0.027	35.540	-0.001	-0.001	0.000	0.000	0.000	0.000
464	A	547	SER	0	-0.010	-0.014	37.633	-0.001	-0.001	0.000	0.000	0.000	0.000
465	A	548	CYS	0	-0.022	-0.003	39.576	-0.001	-0.001	0.000	0.000	0.000	0.000
466	A	549	GLU	-1	-0.794	-0.912	38.838	0.002	0.002	0.000	0.000	0.000	0.000
467	A	550	LEU	0	-0.053	-0.045	37.526	-0.001	-0.001	0.000	0.000	0.000	0.000
468	A	551	ALA	0	-0.006	0.028	41.949	-0.001	-0.001	0.000	0.000	0.000	0.000
469	A	552	GLN	0	-0.076	-0.027	45.079	0.000	0.000	0.000	0.000	0.000	0.000
470	A	553	LYS	1	0.868	0.937	40.640	0.002	0.002	0.000	0.000	0.000	0.000
471	A	554	ASP	-1	-0.924	-0.959	43.090	-0.006	-0.006	0.000	0.000	0.000	0.000
472	A	555	GLY	0	0.004	0.018	46.363	0.000	0.000	0.000	0.000	0.000	0.000
473	A	556	PRO	0	-0.013	-0.018	46.434	0.000	0.000	0.000	0.000	0.000	0.000
474	A	557	TYR	0	-0.014	0.020	44.471	0.000	0.000	0.000	0.000	0.000	0.000
475	A	558	GLU	-1	-0.884	-0.963	46.571	-0.004	-0.004	0.000	0.000	0.000	0.000
476	A	559	THR	0	-0.046	-0.023	47.111	0.000	0.000	0.000	0.000	0.000	0.000
477	A	560	PHE	0	-0.010	0.014	47.024	0.000	0.000	0.000	0.000	0.000	0.000
478	A	561	GLN	0	0.021	0.023	49.208	0.001	0.001	0.000	0.000	0.000	0.000
479	A	562	GLY	0	0.026	0.015	52.875	0.000	0.000	0.000	0.000	0.000	0.000
480	A	563	SER	0	-0.022	-0.012	47.916	0.000	0.000	0.000	0.000	0.000	0.000
481	A	564	PRO	0	-0.010	0.012	46.944	0.000	0.000	0.000	0.000	0.000	0.000
482	A	565	ALA	0	0.075	0.023	45.158	0.000	0.000	0.000	0.000	0.000	0.000
483	A	566	SER	0	-0.106	-0.069	47.165	0.000	0.000	0.000	0.000	0.000	0.000
484	A	567	GLN	0	-0.001	-0.002	50.442	0.000	0.000	0.000	0.000	0.000	0.000
485	A	568	GLY	0	-0.009	-0.012	48.853	0.000	0.000	0.000	0.000	0.000	0.000
486	A	569	ILE	0	-0.073	-0.030	47.264	0.001	0.001	0.000	0.000	0.000	0.000
487	A	570	LEU	0	0.003	-0.005	42.658	0.000	0.000	0.000	0.000	0.000	0.000
488	A	571	GLN	0	0.032	0.005	38.942	0.000	0.000	0.000	0.000	0.000	0.000
489	A	572	PHE	0	0.075	0.015	39.805	0.000	0.000	0.000	0.000	0.000	0.000
490	A	573	ASP	-1	-0.811	-0.890	42.215	0.006	0.006	0.000	0.000	0.000	0.000
491	A	574	MET	0	-0.076	-0.021	44.616	0.000	0.000	0.000	0.000	0.000	0.000
492	A	575	TRP	0	-0.099	-0.065	39.062	0.000	0.000	0.000	0.000	0.000	0.000
493	A	576	ASP	-1	-0.931	-0.952	44.464	0.005	0.005	0.000	0.000	0.000	0.000
494	A	577	GLN	0	-0.042	-0.023	41.505	0.001	0.001	0.000	0.000	0.000	0.000
495	A	578	LYS	1	0.917	0.959	44.663	-0.007	-0.007	0.000	0.000	0.000	0.000
496	A	579	PRO	0	-0.006	0.006	40.849	0.001	0.001	0.000	0.000	0.000	0.000
497	A	580	TYR	0	-0.009	-0.023	36.256	0.000	0.000	0.000	0.000	0.000	0.000
498	A	581	GLY	0	0.006	0.013	39.484	0.000	0.000	0.000	0.000	0.000	0.000
499	A	582	MET	0	-0.052	-0.007	32.629	0.000	0.000	0.000	0.000	0.000	0.000
500	A	583	TRP	0	-0.060	-0.027	32.678	-0.001	-0.001	0.000	0.000	0.000	0.000
501	A	584	ASP	-1	-0.820	-0.870	38.816	0.006	0.006	0.000	0.000	0.000	0.000
502	A	585	TRP	0	0.008	-0.047	37.636	-0.001	-0.001	0.000	0.000	0.000	0.000
503	A	586	ASP	-1	-0.908	-0.939	43.391	0.005	0.005	0.000	0.000	0.000	0.000
504	A	587	THR	0	-0.065	-0.072	44.709	-0.001	-0.001	0.000	0.000	0.000	0.000
505	A	588	LEU	0	0.018	0.025	40.232	-0.001	-0.001	0.000	0.000	0.000	0.000
506	A	589	ARG	1	0.854	0.937	44.361	-0.006	-0.006	0.000	0.000	0.000	0.000
507	A	590	LYS	1	0.955	0.975	46.753	-0.004	-0.004	0.000	0.000	0.000	0.000
508	A	591	ASP	-1	-0.912	-0.969	45.849	0.002	0.002	0.000	0.000	0.000	0.000
509	A	592	ILE	0	-0.011	-0.003	42.893	-0.001	-0.001	0.000	0.000	0.000	0.000
510	A	593	MET	0	-0.049	-0.004	47.040	0.000	0.000	0.000	0.000	0.000	0.000
511	A	594	LYS	1	0.847	0.941	50.589	-0.001	-0.001	0.000	0.000	0.000	0.000
512	A	595	HIS	0	0.000	-0.033	47.770	-0.001	-0.001	0.000	0.000	0.000	0.000
513	A	596	GLY	0	0.037	0.028	47.813	-0.001	-0.001	0.000	0.000	0.000	0.000
514	A	597	VAL	0	0.000	-0.027	42.335	0.000	0.000	0.000	0.000	0.000	0.000
515	A	598	ARG	1	0.926	0.971	40.963	0.004	0.004	0.000	0.000	0.000	0.000
516	A	599	ASN	0	-0.040	-0.031	38.563	0.000	0.000	0.000	0.000	0.000	0.000
517	A	600	SER	0	-0.017	-0.003	41.005	0.001	0.001	0.000	0.000	0.000	0.000
518	A	601	LEU	0	-0.037	-0.017	38.420	0.001	0.001	0.000	0.000	0.000	0.000
519	A	602	THR	0	0.004	-0.038	35.292	0.000	0.000	0.000	0.000	0.000	0.000
520	A	603	MET	0	-0.022	0.010	31.340	0.001	0.001	0.000	0.000	0.000	0.000
521	A	604	ALA	0	0.009	-0.015	31.461	-0.001	-0.001	0.000	0.000	0.000	0.000
522	A	605	PRO	0	-0.001	0.006	27.741	0.000	0.000	0.000	0.000	0.000	0.000
523	A	606	MET	0	0.032	0.051	24.944	-0.001	-0.001	0.000	0.000	0.000	0.000
524	A	607	PRO	0	-0.005	-0.033	24.805	0.004	0.004	0.000	0.000	0.000	0.000
525	A	608	THR	0	0.001	-0.011	20.770	0.004	0.004	0.000	0.000	0.000	0.000
526	A	609	ALA	0	0.034	0.028	19.743	0.005	0.005	0.000	0.000	0.000	0.000
527	A	610	SER	0	0.034	0.021	17.926	0.007	0.007	0.000	0.000	0.000	0.000
528	A	611	THR	0	0.000	-0.020	17.098	0.000	0.000	0.000	0.000	0.000	0.000
529	A	612	SER	0	0.017	0.014	16.779	0.005	0.005	0.000	0.000	0.000	0.000
530	A	613	GLN	0	0.050	0.034	12.244	0.031	0.031	0.000	0.000	0.000	0.000
531	A	614	ILE	0	-0.092	-0.046	12.290	0.024	0.024	0.000	0.000	0.000	0.000
532	A	615	LEU	0	-0.017	-0.020	12.769	-0.006	-0.006	0.000	0.000	0.000	0.000
533	A	616	GLY	0	-0.085	-0.029	10.352	0.053	0.053	0.000	0.000	0.000	0.000
534	A	617	TYR	0	-0.004	-0.011	11.233	0.056	0.056	0.000	0.000	0.000	0.000
535	A	618	ASN	0	0.045	0.022	14.065	-0.018	-0.018	0.000	0.000	0.000	0.000
536	A	619	GLU	-1	-0.915	-0.954	16.091	0.039	0.039	0.000	0.000	0.000	0.000
537	A	620	CYS	0	0.001	0.010	18.977	-0.001	-0.001	0.000	0.000	0.000	0.000
538	A	621	PHE	0	-0.005	-0.031	21.856	0.007	0.007	0.000	0.000	0.000	0.000
539	A	622	GLU	-1	-0.894	-0.953	21.622	0.017	0.017	0.000	0.000	0.000	0.000
540	A	623	PRO	0	-0.019	-0.020	21.148	0.009	0.009	0.000	0.000	0.000	0.000
541	A	624	VAL	0	0.035	0.031	15.731	-0.003	-0.003	0.000	0.000	0.000	0.000
542	A	625	THR	0	-0.014	-0.019	18.173	-0.012	-0.012	0.000	0.000	0.000	0.000
543	A	626	SER	0	0.027	0.017	15.871	-0.009	-0.009	0.000	0.000	0.000	0.000
544	A	627	ASN	0	0.013	0.016	13.735	0.035	0.035	0.000	0.000	0.000	0.000
545	A	628	MET	0	-0.027	-0.011	11.316	-0.024	-0.024	0.000	0.000	0.000	0.000
546	A	629	TYR	0	-0.013	0.001	10.342	0.016	0.016	0.000	0.000	0.000	0.000
547	A	630	SER	0	-0.034	-0.032	10.858	-0.052	-0.052	0.000	0.000	0.000	0.000
548	A	638	PHE	0	-0.006	-0.023	7.541	-0.064	-0.064	0.000	0.000	0.000	0.000
549	A	639	GLN	0	0.040	0.025	7.274	0.019	0.019	0.000	0.000	0.000	0.000
550	A	640	VAL	0	-0.011	0.013	4.949	-0.101	-0.101	0.000	0.000	0.000	0.000
551	A	641	VAL	0	0.079	0.035	7.104	0.116	0.116	0.000	0.000	0.000	0.000
552	A	642	ASN	0	-0.034	-0.021	7.843	0.131	0.131	0.000	0.000	0.000	0.000
553	A	643	PRO	0	0.024	-0.022	7.183	-0.036	-0.036	0.000	0.000	0.000	0.000
554	A	644	TYR	0	-0.035	-0.055	8.660	0.005	0.005	0.000	0.000	0.000	0.000
555	A	645	LEU	0	0.032	0.030	11.928	-0.032	-0.032	0.000	0.000	0.000	0.000
556	A	646	LEU	0	-0.001	-0.011	5.953	-0.027	-0.027	0.000	0.000	0.000	0.000
557	A	647	ARG	1	0.895	0.964	9.462	-0.145	-0.145	0.000	0.000	0.000	0.000
558	A	648	ASP	-1	-0.751	-0.866	10.466	0.081	0.081	0.000	0.000	0.000	0.000
559	A	649	LEU	0	-0.034	-0.018	12.614	-0.012	-0.012	0.000	0.000	0.000	0.000
560	A	650	VAL	0	-0.030	-0.024	9.729	-0.004	-0.004	0.000	0.000	0.000	0.000
561	A	651	ASP	-1	-0.920	-0.951	12.991	0.090	0.090	0.000	0.000	0.000	0.000
562	A	652	LEU	0	-0.041	-0.017	15.362	-0.003	-0.003	0.000	0.000	0.000	0.000
563	A	653	GLY	0	-0.047	-0.021	15.942	-0.003	-0.003	0.000	0.000	0.000	0.000
564	A	654	ILE	0	-0.014	-0.004	16.914	-0.001	-0.001	0.000	0.000	0.000	0.000
565	A	655	TRP	0	-0.022	-0.019	9.527	-0.017	-0.017	0.000	0.000	0.000	0.000
566	A	656	ASP	-1	-0.846	-0.927	14.133	0.013	0.013	0.000	0.000	0.000	0.000
567	A	657	GLU	-1	-0.910	-0.976	13.638	-0.062	-0.062	0.000	0.000	0.000	0.000
568	A	658	GLY	0	0.008	0.015	15.683	-0.007	-0.007	0.000	0.000	0.000	0.000
569	A	659	MET	0	-0.041	-0.015	15.829	-0.001	-0.001	0.000	0.000	0.000	0.000
570	A	660	LYS	1	0.859	0.933	8.955	0.250	0.250	0.000	0.000	0.000	0.000
571	A	661	GLN	0	0.030	0.015	14.256	-0.012	-0.012	0.000	0.000	0.000	0.000
572	A	662	TYR	0	0.010	-0.018	16.984	-0.004	-0.004	0.000	0.000	0.000	0.000
573	A	663	LEU	0	0.018	0.013	12.623	0.003	0.003	0.000	0.000	0.000	0.000
574	A	664	ILE	0	-0.061	-0.032	14.182	-0.001	-0.001	0.000	0.000	0.000	0.000
575	A	665	THR	0	-0.088	-0.028	16.654	0.009	0.009	0.000	0.000	0.000	0.000
576	A	666	GLN	0	0.030	0.027	19.713	0.002	0.002	0.000	0.000	0.000	0.000
577	A	667	ASN	0	-0.063	-0.045	19.024	0.004	0.004	0.000	0.000	0.000	0.000
578	A	668	GLY	0	0.034	0.043	16.312	0.005	0.005	0.000	0.000	0.000	0.000
579	A	669	SER	0	-0.051	-0.020	16.980	0.012	0.012	0.000	0.000	0.000	0.000
580	A	670	ILE	0	0.026	0.001	17.056	-0.006	-0.006	0.000	0.000	0.000	0.000
581	A	671	GLN	0	-0.060	-0.054	20.028	0.002	0.002	0.000	0.000	0.000	0.000
582	A	672	GLY	0	-0.021	-0.015	23.533	-0.003	-0.003	0.000	0.000	0.000	0.000
583	A	673	LEU	0	0.054	0.028	19.081	-0.002	-0.002	0.000	0.000	0.000	0.000
584	A	674	PRO	0	-0.033	-0.012	23.308	0.003	0.003	0.000	0.000	0.000	0.000
585	A	675	ASN	0	0.020	0.009	22.015	0.002	0.002	0.000	0.000	0.000	0.000
586	A	676	VAL	0	0.022	0.021	19.203	0.002	0.002	0.000	0.000	0.000	0.000
587	A	677	PRO	0	0.047	0.020	20.269	-0.001	-0.001	0.000	0.000	0.000	0.000
588	A	678	GLN	0	0.005	-0.003	22.710	0.000	0.000	0.000	0.000	0.000	0.000
589	A	679	GLU	-1	-0.867	-0.936	21.473	0.051	0.051	0.000	0.000	0.000	0.000
590	A	680	LEU	0	0.016	0.001	17.010	0.003	0.003	0.000	0.000	0.000	0.000
591	A	681	LYS	1	0.798	0.897	20.504	-0.012	-0.012	0.000	0.000	0.000	0.000
592	A	682	ASP	-1	-0.838	-0.904	22.524	0.024	0.024	0.000	0.000	0.000	0.000
593	A	683	LEU	0	-0.038	0.005	18.459	0.000	0.000	0.000	0.000	0.000	0.000
594	A	684	TYR	0	-0.068	-0.049	15.305	0.011	0.011	0.000	0.000	0.000	0.000
595	A	685	LYS	1	0.865	0.932	19.166	-0.030	-0.030	0.000	0.000	0.000	0.000
596	A	686	THR	0	0.038	0.019	19.954	0.007	0.007	0.000	0.000	0.000	0.000
597	A	687	VAL	0	0.033	0.021	21.357	-0.002	-0.002	0.000	0.000	0.000	0.000
598	A	688	TRP	0	-0.060	-0.037	22.023	-0.001	-0.001	0.000	0.000	0.000	0.000
599	A	689	GLU	-1	-0.931	-0.981	22.971	0.007	0.007	0.000	0.000	0.000	0.000
600	A	690	ILE	0	0.034	0.040	23.781	0.001	0.001	0.000	0.000	0.000	0.000
601	A	691	SER	0	-0.034	-0.022	27.471	-0.003	-0.003	0.000	0.000	0.000	0.000
602	A	692	GLN	0	0.069	0.019	28.030	0.000	0.000	0.000	0.000	0.000	0.000
603	A	693	LYS	1	0.969	0.989	31.975	-0.009	-0.009	0.000	0.000	0.000	0.000
604	A	694	THR	0	0.012	0.008	30.546	-0.001	-0.001	0.000	0.000	0.000	0.000
605	A	695	ILE	0	0.066	0.031	26.892	0.001	0.001	0.000	0.000	0.000	0.000
606	A	696	ILE	0	0.010	0.008	30.602	0.000	0.000	0.000	0.000	0.000	0.000
607	A	697	ASN	0	0.014	0.045	33.942	-0.001	-0.001	0.000	0.000	0.000	0.000
608	A	698	MET	0	0.061	0.050	27.241	-0.001	-0.001	0.000	0.000	0.000	0.000
609	A	699	ALA	0	0.002	-0.010	31.524	0.001	0.001	0.000	0.000	0.000	0.000
610	A	700	ALA	0	-0.015	-0.015	32.576	-0.001	-0.001	0.000	0.000	0.000	0.000
611	A	701	ASP	-1	-0.904	-0.954	33.877	0.016	0.016	0.000	0.000	0.000	0.000
612	A	702	ARG	1	0.836	0.923	27.999	-0.026	-0.026	0.000	0.000	0.000	0.000
613	A	703	SER	0	-0.043	-0.047	33.569	-0.001	-0.001	0.000	0.000	0.000	0.000
614	A	704	VAL	0	-0.056	0.005	35.821	-0.001	-0.001	0.000	0.000	0.000	0.000
615	A	705	TYR	0	0.042	0.006	34.578	-0.001	-0.001	0.000	0.000	0.000	0.000
616	A	706	ILE	0	-0.057	-0.024	31.803	0.000	0.000	0.000	0.000	0.000	0.000
617	A	707	ASP	-1	-0.773	-0.862	35.559	0.004	0.004	0.000	0.000	0.000	0.000
618	A	708	GLN	0	-0.019	0.017	35.323	-0.002	-0.002	0.000	0.000	0.000	0.000
619	A	709	SER	0	-0.024	-0.033	35.396	0.001	0.001	0.000	0.000	0.000	0.000
620	A	710	HIS	0	-0.011	-0.023	29.503	0.003	0.003	0.000	0.000	0.000	0.000
621	A	711	SER	0	0.039	0.023	28.093	0.000	0.000	0.000	0.000	0.000	0.000
622	A	712	LEU	0	0.025	0.014	28.478	0.002	0.002	0.000	0.000	0.000	0.000
623	A	713	ASN	0	0.013	0.013	25.118	-0.005	-0.005	0.000	0.000	0.000	0.000
624	A	714	LEU	0	-0.017	-0.003	28.868	0.002	0.002	0.000	0.000	0.000	0.000
625	A	715	PHE	0	0.004	-0.004	23.797	-0.002	-0.002	0.000	0.000	0.000	0.000
626	A	716	LEU	0	-0.033	-0.027	28.667	0.001	0.001	0.000	0.000	0.000	0.000
627	A	717	ARG	1	0.991	0.988	28.358	-0.003	-0.003	0.000	0.000	0.000	0.000
628	A	718	ALA	0	0.026	0.023	30.505	-0.001	-0.001	0.000	0.000	0.000	0.000
629	A	719	PRO	0	-0.029	-0.005	32.929	0.001	0.001	0.000	0.000	0.000	0.000
630	A	720	THR	0	0.050	0.022	35.600	0.000	0.000	0.000	0.000	0.000	0.000
631	A	721	MET	0	0.105	0.049	39.330	0.001	0.001	0.000	0.000	0.000	0.000
632	A	722	GLY	0	0.016	0.032	41.767	0.000	0.000	0.000	0.000	0.000	0.000
633	A	723	LYS	1	0.887	0.926	34.984	-0.005	-0.005	0.000	0.000	0.000	0.000
634	A	724	LEU	0	0.048	0.012	36.349	0.001	0.001	0.000	0.000	0.000	0.000
635	A	725	THR	0	0.022	-0.002	38.600	0.000	0.000	0.000	0.000	0.000	0.000
636	A	726	SER	0	-0.012	-0.004	40.448	0.001	0.001	0.000	0.000	0.000	0.000
637	A	727	MET	0	-0.014	0.001	35.384	0.001	0.001	0.000	0.000	0.000	0.000
638	A	728	HIS	0	0.037	0.009	37.447	0.001	0.001	0.000	0.000	0.000	0.000
639	A	729	PHE	0	-0.005	0.001	39.743	0.000	0.000	0.000	0.000	0.000	0.000
640	A	730	TYR	0	-0.084	-0.063	37.143	0.000	0.000	0.000	0.000	0.000	0.000
641	A	731	GLY	0	0.043	0.001	38.275	0.001	0.001	0.000	0.000	0.000	0.000
642	A	732	TRP	0	-0.070	-0.052	38.943	0.000	0.000	0.000	0.000	0.000	0.000
643	A	733	LYS	1	0.844	0.888	42.197	-0.004	-0.004	0.000	0.000	0.000	0.000
644	A	734	LYS	1	0.872	0.954	38.636	-0.010	-0.010	0.000	0.000	0.000	0.000
645	A	735	GLY	0	0.008	0.020	41.461	0.000	0.000	0.000	0.000	0.000	0.000
646	A	736	LEU	0	-0.047	-0.036	35.604	0.000	0.000	0.000	0.000	0.000	0.000
647	A	737	LYS	1	0.896	0.960	38.078	-0.006	-0.006	0.000	0.000	0.000	0.000
648	A	738	THR	0	0.000	0.010	33.449	-0.001	-0.001	0.000	0.000	0.000	0.000
649	A	739	GLY	0	-0.020	-0.002	35.430	0.001	0.001	0.000	0.000	0.000	0.000
650	A	740	MET	0	-0.039	-0.015	33.265	0.000	0.000	0.000	0.000	0.000	0.000
651	A	741	TYR	0	0.032	0.031	27.506	-0.001	-0.001	0.000	0.000	0.000	0.000
652	A	742	TYR	0	-0.018	-0.012	28.601	-0.002	-0.002	0.000	0.000	0.000	0.000
653	A	743	LEU	0	-0.005	0.005	30.734	0.002	0.002	0.000	0.000	0.000	0.000
654	A	744	ARG	1	0.895	0.955	24.499	0.004	0.004	0.000	0.000	0.000	0.000
655	A	745	THR	0	0.038	0.005	28.405	0.002	0.002	0.000	0.000	0.000	0.000
656	A	746	GLN	0	-0.004	0.003	27.253	-0.001	-0.001	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:76:THR)