FMO DATABASE

FMODB ID: 2JJ7R

Calculation Name: 3ZKV-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 3ZKV

Chain ID: A

ChEMBL ID:

UniProt ID: Q9VEC5

Base Structure: X-ray

Registration Date: 2023-06-21

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	892
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-23335636.181336
FMO2-HF: Nuclear repulsion	22967398.58588
FMO2-HF: Total energy	-368237.595456
FMO2-MP2: Total energy	-369276.756778

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:54:GLN)

Summations of interaction energy for fragment #1(A:54:GLN)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-15.485	-12.969	8.653	-5.083	-6.086	-0.017

Interaction energy analysis for fragmet #1(A:54:GLN)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.014 / 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	56	VAL	0	0.019	0.000	3.104	-4.055	-0.835	0.371	-1.645	-1.947	0.013
4	A	57	GLN	0	0.020	0.018	1.960	-6.773	-7.611	8.283	-3.426	-4.018	-0.030
5	A	58	PHE	0	0.008	-0.002	4.904	-0.881	-0.747	-0.001	-0.012	-0.121	0.000
6	A	59	PHE	0	0.058	0.029	7.426	-0.206	-0.206	0.000	0.000	0.000	0.000
7	A	60	GLY	0	0.036	0.038	7.925	-0.290	-0.290	0.000	0.000	0.000	0.000
8	A	61	ALA	0	0.009	-0.005	9.103	-0.299	-0.299	0.000	0.000	0.000	0.000
9	A	62	ILE	0	-0.022	-0.017	11.086	-0.210	-0.210	0.000	0.000	0.000	0.000
10	A	63	THR	0	-0.026	-0.020	12.387	-0.171	-0.171	0.000	0.000	0.000	0.000
11	A	64	LEU	0	-0.008	-0.004	13.530	-0.098	-0.098	0.000	0.000	0.000	0.000
12	A	65	HIS	0	-0.004	0.004	15.219	-0.078	-0.078	0.000	0.000	0.000	0.000
13	A	66	SER	0	-0.008	-0.014	17.045	-0.099	-0.099	0.000	0.000	0.000	0.000
14	A	67	LYS	1	0.802	0.896	18.130	-0.467	-0.467	0.000	0.000	0.000	0.000
15	A	68	LEU	0	-0.018	-0.002	19.399	-0.036	-0.036	0.000	0.000	0.000	0.000
16	A	69	MET	0	-0.014	-0.005	21.259	-0.039	-0.039	0.000	0.000	0.000	0.000
17	A	70	LYS	1	0.855	0.917	20.600	-0.302	-0.302	0.000	0.000	0.000	0.000
18	A	71	HIS	0	-0.010	-0.011	22.341	-0.003	-0.003	0.000	0.000	0.000	0.000
19	A	72	TRP	0	0.077	0.043	25.074	0.031	0.031	0.000	0.000	0.000	0.000
20	A	73	HIS	0	0.013	0.002	26.873	-0.001	-0.001	0.000	0.000	0.000	0.000
21	A	74	GLU	-1	-0.899	-0.922	23.722	0.374	0.374	0.000	0.000	0.000	0.000
22	A	75	VAL	0	-0.025	-0.021	23.734	0.016	0.016	0.000	0.000	0.000	0.000
23	A	76	PRO	0	-0.003	0.018	27.087	-0.018	-0.018	0.000	0.000	0.000	0.000
24	A	99	LYS	1	0.998	1.000	6.608	0.416	0.416	0.000	0.000	0.000	0.000
25	A	100	ILE	0	0.068	0.018	7.326	0.173	0.173	0.000	0.000	0.000	0.000
26	A	101	VAL	0	0.024	0.008	6.121	0.022	0.022	0.000	0.000	0.000	0.000
27	A	102	LEU	0	0.027	0.018	9.306	-0.005	-0.005	0.000	0.000	0.000	0.000
28	A	103	ASN	0	0.082	0.044	11.970	-0.015	-0.015	0.000	0.000	0.000	0.000
29	A	104	ARG	1	0.888	0.951	12.066	-0.284	-0.284	0.000	0.000	0.000	0.000
30	A	105	LEU	0	0.013	0.015	12.744	-0.012	-0.012	0.000	0.000	0.000	0.000
31	A	106	CYS	0	-0.014	0.003	14.541	-0.047	-0.047	0.000	0.000	0.000	0.000
32	A	107	ILE	0	0.014	0.004	16.611	-0.035	-0.035	0.000	0.000	0.000	0.000
33	A	108	SER	0	-0.035	-0.028	16.192	-0.013	-0.013	0.000	0.000	0.000	0.000
34	A	109	LEU	0	-0.021	-0.002	18.679	-0.017	-0.017	0.000	0.000	0.000	0.000
35	A	110	GLY	0	0.030	0.012	20.543	-0.029	-0.029	0.000	0.000	0.000	0.000
36	A	111	ALA	0	0.023	0.007	22.071	-0.023	-0.023	0.000	0.000	0.000	0.000
37	A	112	TYR	0	-0.030	-0.016	22.534	-0.012	-0.012	0.000	0.000	0.000	0.000
38	A	113	ILE	0	-0.034	-0.025	24.228	-0.018	-0.018	0.000	0.000	0.000	0.000
39	A	114	VAL	0	-0.063	-0.020	26.324	-0.022	-0.022	0.000	0.000	0.000	0.000
40	A	115	HIS	0	-0.007	-0.008	25.735	-0.025	-0.025	0.000	0.000	0.000	0.000
41	A	116	MET	0	-0.074	-0.003	28.621	-0.002	-0.002	0.000	0.000	0.000	0.000
42	A	117	LEU	0	0.015	-0.001	31.165	-0.012	-0.012	0.000	0.000	0.000	0.000
43	A	118	GLY	0	0.021	0.014	34.739	-0.012	-0.012	0.000	0.000	0.000	0.000
44	A	119	GLU	-1	-0.825	-0.922	31.814	0.189	0.189	0.000	0.000	0.000	0.000
45	A	120	TRP	0	0.084	-0.010	33.734	-0.010	-0.010	0.000	0.000	0.000	0.000
46	A	121	PRO	0	-0.057	0.000	35.203	-0.011	-0.011	0.000	0.000	0.000	0.000
47	A	122	GLY	0	0.004	0.003	35.390	-0.007	-0.007	0.000	0.000	0.000	0.000
48	A	123	ALA	0	0.032	0.014	30.075	0.001	0.001	0.000	0.000	0.000	0.000
49	A	124	ILE	0	-0.006	-0.010	29.531	0.009	0.009	0.000	0.000	0.000	0.000
50	A	125	GLU	-1	-0.827	-0.907	30.559	0.104	0.104	0.000	0.000	0.000	0.000
51	A	126	GLU	-1	-0.879	-0.934	31.010	0.198	0.198	0.000	0.000	0.000	0.000
52	A	127	VAL	0	-0.025	-0.011	25.429	0.010	0.010	0.000	0.000	0.000	0.000
53	A	128	ILE	0	0.028	0.001	27.276	0.007	0.007	0.000	0.000	0.000	0.000
54	A	129	ASN	0	-0.045	-0.029	28.833	-0.009	-0.009	0.000	0.000	0.000	0.000
55	A	130	THR	0	-0.059	-0.033	25.787	0.000	0.000	0.000	0.000	0.000	0.000
56	A	131	PHE	0	-0.046	-0.029	20.565	0.017	0.017	0.000	0.000	0.000	0.000
57	A	132	GLN	0	0.007	0.008	25.358	-0.006	-0.006	0.000	0.000	0.000	0.000
58	A	133	ASN	0	-0.020	-0.003	27.866	0.002	0.002	0.000	0.000	0.000	0.000
59	A	134	GLN	0	0.016	-0.016	24.232	0.011	0.011	0.000	0.000	0.000	0.000
60	A	135	ARG	1	0.904	0.958	25.728	-0.227	-0.227	0.000	0.000	0.000	0.000
61	A	136	MET	0	0.028	0.021	20.726	0.014	0.014	0.000	0.000	0.000	0.000
62	A	137	PRO	0	-0.122	-0.059	20.512	0.007	0.007	0.000	0.000	0.000	0.000
63	A	138	ASN	0	-0.003	0.013	21.640	-0.039	-0.039	0.000	0.000	0.000	0.000
64	A	139	VAL	0	-0.028	0.005	15.520	0.020	0.020	0.000	0.000	0.000	0.000
65	A	140	SER	0	0.067	0.008	17.273	-0.040	-0.040	0.000	0.000	0.000	0.000
66	A	141	ALA	0	0.044	0.030	19.338	0.021	0.021	0.000	0.000	0.000	0.000
67	A	142	ASP	-1	-0.834	-0.912	19.848	0.018	0.018	0.000	0.000	0.000	0.000
68	A	143	VAL	0	-0.010	-0.012	14.899	-0.002	-0.002	0.000	0.000	0.000	0.000
69	A	144	GLN	0	0.019	0.010	17.567	0.029	0.029	0.000	0.000	0.000	0.000
70	A	145	LEU	0	0.022	0.004	20.102	0.012	0.012	0.000	0.000	0.000	0.000
71	A	146	TRP	0	0.028	0.016	13.514	0.032	0.032	0.000	0.000	0.000	0.000
72	A	147	ILE	0	-0.020	-0.026	15.658	0.010	0.010	0.000	0.000	0.000	0.000
73	A	148	MET	0	-0.030	-0.006	18.771	-0.002	-0.002	0.000	0.000	0.000	0.000
74	A	149	LEU	0	0.015	0.003	21.590	-0.005	-0.005	0.000	0.000	0.000	0.000
75	A	150	GLU	-1	-0.839	-0.908	16.975	-0.011	-0.011	0.000	0.000	0.000	0.000
76	A	151	VAL	0	-0.046	-0.016	20.312	0.005	0.005	0.000	0.000	0.000	0.000
77	A	152	LEU	0	-0.013	-0.016	22.328	-0.009	-0.009	0.000	0.000	0.000	0.000
78	A	153	THR	0	0.018	-0.020	22.584	-0.025	-0.025	0.000	0.000	0.000	0.000
79	A	154	ALA	0	-0.031	-0.007	21.272	-0.014	-0.014	0.000	0.000	0.000	0.000
80	A	155	ILE	0	-0.024	-0.007	23.385	0.002	0.002	0.000	0.000	0.000	0.000
81	A	156	PRO	0	-0.011	0.004	26.395	0.002	0.002	0.000	0.000	0.000	0.000
82	A	157	GLU	-1	-0.754	-0.855	25.254	-0.005	-0.005	0.000	0.000	0.000	0.000
83	A	158	GLU	-1	-0.807	-0.910	22.049	0.225	0.225	0.000	0.000	0.000	0.000
84	A	159	ALA	0	0.049	0.023	26.057	0.002	0.002	0.000	0.000	0.000	0.000
85	A	160	GLN	0	-0.048	-0.017	29.267	-0.008	-0.008	0.000	0.000	0.000	0.000
86	A	161	VAL	0	-0.056	-0.040	25.300	-0.010	-0.010	0.000	0.000	0.000	0.000
87	A	162	ILE	0	-0.058	0.006	25.423	0.011	0.011	0.000	0.000	0.000	0.000
88	A	163	HIS	0	-0.025	-0.009	26.594	-0.023	-0.023	0.000	0.000	0.000	0.000
89	A	164	THR	0	-0.008	-0.009	29.811	0.014	0.014	0.000	0.000	0.000	0.000
90	A	165	SER	0	0.034	0.022	31.758	-0.005	-0.005	0.000	0.000	0.000	0.000
91	A	166	VAL	0	-0.011	0.009	34.547	-0.011	-0.011	0.000	0.000	0.000	0.000
92	A	167	LYS	1	0.977	0.984	36.374	-0.072	-0.072	0.000	0.000	0.000	0.000
93	A	168	ARG	1	0.946	0.954	30.948	-0.104	-0.104	0.000	0.000	0.000	0.000
94	A	169	VAL	0	-0.017	-0.016	36.796	0.000	0.000	0.000	0.000	0.000	0.000
95	A	170	VAL	0	-0.004	0.004	39.296	-0.004	-0.004	0.000	0.000	0.000	0.000
96	A	171	LEU	0	0.102	0.070	31.533	-0.001	-0.001	0.000	0.000	0.000	0.000
97	A	172	ARG	1	0.898	0.937	34.891	-0.042	-0.042	0.000	0.000	0.000	0.000
98	A	173	ALA	0	-0.013	-0.010	36.565	-0.003	-0.003	0.000	0.000	0.000	0.000
99	A	174	GLU	-1	-0.868	-0.935	36.659	0.114	0.114	0.000	0.000	0.000	0.000
100	A	175	ILE	0	-0.004	-0.005	31.486	0.001	0.001	0.000	0.000	0.000	0.000
101	A	176	ALA	0	0.014	0.007	35.352	-0.004	-0.004	0.000	0.000	0.000	0.000
102	A	177	LYS	1	0.786	0.925	38.259	-0.110	-0.110	0.000	0.000	0.000	0.000
103	A	178	ARG	1	0.812	0.882	34.294	-0.108	-0.108	0.000	0.000	0.000	0.000
104	A	179	VAL	0	0.040	0.035	34.609	0.000	0.000	0.000	0.000	0.000	0.000
105	A	180	GLN	0	0.017	0.011	35.481	-0.001	-0.001	0.000	0.000	0.000	0.000
106	A	181	LEU	0	0.019	0.022	34.168	-0.005	-0.005	0.000	0.000	0.000	0.000
107	A	182	VAL	0	-0.027	-0.009	30.166	0.001	0.001	0.000	0.000	0.000	0.000
108	A	183	ILE	0	0.050	0.016	32.418	-0.005	-0.005	0.000	0.000	0.000	0.000
109	A	184	HIS	0	0.056	0.025	34.519	-0.003	-0.003	0.000	0.000	0.000	0.000
110	A	185	THR	0	-0.110	-0.053	30.202	0.000	0.000	0.000	0.000	0.000	0.000
111	A	186	VAL	0	0.006	0.004	28.942	-0.002	-0.002	0.000	0.000	0.000	0.000
112	A	187	GLU	-1	-0.842	-0.875	30.967	-0.001	-0.001	0.000	0.000	0.000	0.000
113	A	188	ARG	1	0.910	0.937	34.200	-0.064	-0.064	0.000	0.000	0.000	0.000
114	A	189	TYR	0	0.007	0.001	25.069	0.001	0.001	0.000	0.000	0.000	0.000
115	A	190	LEU	0	0.033	0.013	28.994	-0.007	-0.007	0.000	0.000	0.000	0.000
116	A	191	LYS	1	0.928	0.972	31.544	-0.001	-0.001	0.000	0.000	0.000	0.000
117	A	192	LEU	0	-0.036	-0.015	30.970	-0.003	-0.003	0.000	0.000	0.000	0.000
118	A	193	GLN	0	0.048	0.021	25.566	0.012	0.012	0.000	0.000	0.000	0.000
119	A	194	MET	0	0.016	0.039	30.427	-0.015	-0.015	0.000	0.000	0.000	0.000
120	A	195	ASN	0	-0.086	-0.053	33.078	-0.009	-0.009	0.000	0.000	0.000	0.000
121	A	196	ARG	1	0.875	0.937	26.711	-0.013	-0.013	0.000	0.000	0.000	0.000
122	A	197	VAL	0	0.033	0.018	28.444	-0.006	-0.006	0.000	0.000	0.000	0.000
123	A	198	TRP	0	-0.008	-0.021	26.623	0.007	0.007	0.000	0.000	0.000	0.000
124	A	199	ASP	-1	-0.811	-0.883	22.054	-0.129	-0.129	0.000	0.000	0.000	0.000
125	A	200	ALA	0	0.082	0.014	19.124	0.005	0.005	0.000	0.000	0.000	0.000
126	A	201	GLU	-1	-0.919	-0.949	15.722	-0.203	-0.203	0.000	0.000	0.000	0.000
127	A	202	ALA	0	-0.050	-0.031	19.398	0.030	0.030	0.000	0.000	0.000	0.000
128	A	203	TYR	0	0.050	0.023	22.259	0.015	0.015	0.000	0.000	0.000	0.000
129	A	204	SER	0	-0.002	0.001	17.233	0.011	0.011	0.000	0.000	0.000	0.000
130	A	205	ASN	0	0.011	-0.012	20.244	0.028	0.028	0.000	0.000	0.000	0.000
131	A	206	MET	0	-0.033	-0.014	21.967	0.021	0.021	0.000	0.000	0.000	0.000
132	A	207	ASN	0	0.041	0.026	21.426	0.035	0.035	0.000	0.000	0.000	0.000
133	A	208	ARG	1	0.833	0.917	17.103	0.234	0.234	0.000	0.000	0.000	0.000
134	A	209	ALA	0	0.032	0.014	22.760	0.023	0.023	0.000	0.000	0.000	0.000
135	A	210	VAL	0	0.004	0.004	26.051	0.015	0.015	0.000	0.000	0.000	0.000
136	A	211	LYS	1	0.925	0.982	20.413	0.030	0.030	0.000	0.000	0.000	0.000
137	A	212	CYS	0	-0.075	-0.022	25.389	0.019	0.019	0.000	0.000	0.000	0.000
138	A	213	VAL	0	0.003	-0.008	26.834	0.011	0.011	0.000	0.000	0.000	0.000
139	A	214	GLY	0	0.072	0.042	29.675	0.003	0.003	0.000	0.000	0.000	0.000
140	A	215	THR	0	-0.079	-0.075	26.345	0.009	0.009	0.000	0.000	0.000	0.000
141	A	216	TRP	0	-0.064	-0.068	28.121	0.011	0.011	0.000	0.000	0.000	0.000
142	A	217	ILE	0	-0.026	0.002	31.442	0.007	0.007	0.000	0.000	0.000	0.000
143	A	218	LYS	1	0.807	0.899	28.677	0.015	0.015	0.000	0.000	0.000	0.000
144	A	219	ASN	0	-0.049	-0.012	29.080	-0.005	-0.005	0.000	0.000	0.000	0.000
145	A	220	ILE	0	-0.080	-0.051	33.347	0.009	0.009	0.000	0.000	0.000	0.000
146	A	221	GLY	0	0.015	0.029	35.904	-0.005	-0.005	0.000	0.000	0.000	0.000
147	A	222	TYR	0	0.009	-0.014	37.979	0.008	0.008	0.000	0.000	0.000	0.000
148	A	223	THR	0	-0.010	0.004	39.989	-0.004	-0.004	0.000	0.000	0.000	0.000
149	A	224	ILE	0	0.114	0.034	42.246	0.001	0.001	0.000	0.000	0.000	0.000
150	A	225	GLU	-1	-0.890	-0.959	43.474	0.001	0.001	0.000	0.000	0.000	0.000
151	A	226	GLY	0	-0.034	-0.007	42.195	-0.001	-0.001	0.000	0.000	0.000	0.000
152	A	227	CYS	0	-0.003	0.014	38.008	0.001	0.001	0.000	0.000	0.000	0.000
153	A	228	VAL	0	0.027	0.081	40.107	-0.007	-0.007	0.000	0.000	0.000	0.000
154	A	229	THR	0	-0.022	-0.051	40.064	-0.005	-0.005	0.000	0.000	0.000	0.000
155	A	230	ILE	0	0.013	0.006	33.464	-0.005	-0.005	0.000	0.000	0.000	0.000
156	A	231	THR	0	-0.014	-0.070	36.686	-0.007	-0.007	0.000	0.000	0.000	0.000
157	A	232	ALA	0	0.010	0.001	38.476	-0.007	-0.007	0.000	0.000	0.000	0.000
158	A	233	VAL	0	-0.040	-0.021	34.442	-0.004	-0.004	0.000	0.000	0.000	0.000
159	A	234	LEU	0	0.004	-0.006	32.194	-0.007	-0.007	0.000	0.000	0.000	0.000
160	A	235	LEU	0	0.030	0.017	34.922	-0.010	-0.010	0.000	0.000	0.000	0.000
161	A	236	GLU	-1	-0.939	-0.965	37.113	-0.049	-0.049	0.000	0.000	0.000	0.000
162	A	237	VAL	0	-0.066	-0.037	30.492	-0.006	-0.006	0.000	0.000	0.000	0.000
163	A	238	VAL	0	0.037	0.017	33.022	-0.012	-0.012	0.000	0.000	0.000	0.000
164	A	239	HIS	0	-0.005	0.005	34.276	-0.013	-0.013	0.000	0.000	0.000	0.000
165	A	240	LYS	1	0.824	0.918	32.995	0.074	0.074	0.000	0.000	0.000	0.000
166	A	241	CYS	0	-0.062	-0.045	30.270	-0.008	-0.008	0.000	0.000	0.000	0.000
167	A	242	TYR	0	0.035	0.022	32.064	-0.007	-0.007	0.000	0.000	0.000	0.000
168	A	243	TRP	0	-0.026	-0.038	34.742	-0.006	-0.006	0.000	0.000	0.000	0.000
169	A	244	PRO	0	-0.064	-0.033	33.278	0.001	0.001	0.000	0.000	0.000	0.000
170	A	245	CYS	0	-0.034	0.007	32.719	-0.005	-0.005	0.000	0.000	0.000	0.000
171	A	246	ILE	0	-0.026	-0.009	34.038	-0.005	-0.005	0.000	0.000	0.000	0.000
172	A	247	HIS	0	-0.139	0.002	37.645	0.005	0.005	0.000	0.000	0.000	0.000
173	A	248	ALA	0	-0.023	-0.075	39.217	0.007	0.007	0.000	0.000	0.000	0.000
174	A	249	GLY	0	-0.021	0.005	36.732	-0.006	-0.006	0.000	0.000	0.000	0.000
175	A	250	ASP	-1	-0.780	-0.898	36.749	-0.151	-0.151	0.000	0.000	0.000	0.000
176	A	251	GLY	0	0.067	0.034	36.013	0.012	0.012	0.000	0.000	0.000	0.000
177	A	252	CYS	0	-0.047	0.000	29.874	0.001	0.001	0.000	0.000	0.000	0.000
178	A	253	MET	0	-0.011	0.002	29.830	0.003	0.003	0.000	0.000	0.000	0.000
179	A	254	THR	0	-0.020	-0.012	25.656	-0.021	-0.021	0.000	0.000	0.000	0.000
180	A	255	ALA	0	0.015	0.016	23.916	-0.029	-0.029	0.000	0.000	0.000	0.000
181	A	256	ASP	-1	-0.869	-0.940	21.010	-0.399	-0.399	0.000	0.000	0.000	0.000
182	A	257	GLU	-1	-0.923	-0.958	23.642	-0.166	-0.166	0.000	0.000	0.000	0.000
183	A	258	ASN	0	0.034	-0.006	27.106	0.028	0.028	0.000	0.000	0.000	0.000
184	A	259	GLU	-1	-0.842	-0.918	21.138	-0.303	-0.303	0.000	0.000	0.000	0.000
185	A	260	LEU	0	-0.061	-0.031	25.550	0.025	0.025	0.000	0.000	0.000	0.000
186	A	261	ALA	0	0.043	0.016	26.902	0.023	0.023	0.000	0.000	0.000	0.000
187	A	262	GLU	-1	-0.802	-0.919	27.729	-0.157	-0.157	0.000	0.000	0.000	0.000
188	A	263	SER	0	-0.052	-0.021	25.621	0.024	0.024	0.000	0.000	0.000	0.000
189	A	264	CYS	0	-0.077	-0.041	28.341	0.024	0.024	0.000	0.000	0.000	0.000
190	A	265	LEU	0	0.066	0.027	31.457	0.015	0.015	0.000	0.000	0.000	0.000
191	A	266	LYS	1	0.886	0.964	29.487	0.098	0.098	0.000	0.000	0.000	0.000
192	A	267	THR	0	-0.050	-0.043	30.859	0.015	0.015	0.000	0.000	0.000	0.000
193	A	268	MET	0	0.017	0.015	32.680	0.011	0.011	0.000	0.000	0.000	0.000
194	A	269	VAL	0	0.021	0.012	35.143	0.007	0.007	0.000	0.000	0.000	0.000
195	A	270	ASN	0	-0.065	-0.043	31.451	-0.002	-0.002	0.000	0.000	0.000	0.000
196	A	271	ILE	0	0.009	-0.004	35.770	0.009	0.009	0.000	0.000	0.000	0.000
197	A	272	ILE	0	-0.050	-0.009	38.118	0.006	0.006	0.000	0.000	0.000	0.000
198	A	273	ILE	0	0.007	-0.006	37.194	0.003	0.003	0.000	0.000	0.000	0.000
199	A	274	GLN	0	-0.009	0.004	37.555	-0.001	-0.001	0.000	0.000	0.000	0.000
200	A	275	PRO	0	-0.023	-0.014	40.740	0.000	0.000	0.000	0.000	0.000	0.000
201	A	276	ASP	-1	-0.838	-0.927	43.588	-0.002	-0.002	0.000	0.000	0.000	0.000
202	A	277	CYS	0	-0.096	-0.053	46.246	0.001	0.001	0.000	0.000	0.000	0.000
203	A	278	HIS	0	-0.017	-0.009	48.691	-0.002	-0.002	0.000	0.000	0.000	0.000
204	A	279	ASN	0	0.073	0.034	48.733	0.000	0.000	0.000	0.000	0.000	0.000
205	A	280	TYR	0	-0.007	0.001	50.020	-0.001	-0.001	0.000	0.000	0.000	0.000
206	A	281	PRO	0	0.037	0.021	50.873	-0.002	-0.002	0.000	0.000	0.000	0.000
207	A	282	LYS	1	0.974	0.972	52.258	0.012	0.012	0.000	0.000	0.000	0.000
208	A	283	THR	0	0.046	0.019	46.607	-0.003	-0.003	0.000	0.000	0.000	0.000
209	A	284	ALA	0	0.064	0.042	47.118	-0.002	-0.002	0.000	0.000	0.000	0.000
210	A	285	PHE	0	-0.014	-0.004	47.835	-0.004	-0.004	0.000	0.000	0.000	0.000
211	A	286	VAL	0	-0.010	-0.005	46.946	-0.003	-0.003	0.000	0.000	0.000	0.000
212	A	287	LEU	0	0.012	0.001	42.738	-0.003	-0.003	0.000	0.000	0.000	0.000
213	A	288	ILE	0	0.025	0.017	44.727	-0.005	-0.005	0.000	0.000	0.000	0.000
214	A	289	LYS	1	0.894	0.951	46.524	0.030	0.030	0.000	0.000	0.000	0.000
215	A	290	MET	0	-0.046	-0.016	42.568	-0.001	-0.001	0.000	0.000	0.000	0.000
216	A	291	PHE	0	0.031	0.007	39.966	-0.004	-0.004	0.000	0.000	0.000	0.000
217	A	292	LEU	0	0.001	-0.001	43.382	-0.005	-0.005	0.000	0.000	0.000	0.000
218	A	293	ASP	-1	-0.872	-0.921	45.971	-0.048	-0.048	0.000	0.000	0.000	0.000
219	A	294	SER	0	-0.008	0.033	41.468	-0.003	-0.003	0.000	0.000	0.000	0.000
220	A	295	LEU	0	0.067	0.023	38.665	-0.005	-0.005	0.000	0.000	0.000	0.000
221	A	296	SER	0	-0.059	-0.060	42.239	-0.005	-0.005	0.000	0.000	0.000	0.000
222	A	297	GLU	-1	-0.869	-0.938	43.698	-0.074	-0.074	0.000	0.000	0.000	0.000
223	A	298	ILE	0	0.027	0.033	37.874	-0.003	-0.003	0.000	0.000	0.000	0.000
224	A	299	THR	0	0.014	0.002	41.728	-0.005	-0.005	0.000	0.000	0.000	0.000
225	A	300	LYS	1	0.784	0.874	43.185	0.072	0.072	0.000	0.000	0.000	0.000
226	A	301	THR	0	-0.112	-0.078	42.464	0.001	0.001	0.000	0.000	0.000	0.000
227	A	302	GLU	-1	-0.732	-0.860	38.212	-0.148	-0.148	0.000	0.000	0.000	0.000
228	A	303	TRP	0	-0.071	-0.018	42.197	-0.003	-0.003	0.000	0.000	0.000	0.000
229	A	304	LYS	1	0.886	0.936	44.676	0.090	0.090	0.000	0.000	0.000	0.000
230	A	305	ARG	1	0.758	0.865	40.012	0.140	0.140	0.000	0.000	0.000	0.000
231	A	306	GLU	-1	-0.852	-0.914	41.451	-0.134	-0.134	0.000	0.000	0.000	0.000
232	A	307	ASN	0	-0.071	-0.063	37.497	-0.004	-0.004	0.000	0.000	0.000	0.000
233	A	308	ASP	-1	-0.855	-0.931	33.775	-0.208	-0.208	0.000	0.000	0.000	0.000
234	A	309	ASN	0	-0.059	-0.030	33.106	-0.008	-0.008	0.000	0.000	0.000	0.000
235	A	310	GLU	-1	-0.692	-0.852	33.897	-0.143	-0.143	0.000	0.000	0.000	0.000
236	A	311	ASP	-1	-0.935	-0.960	29.523	-0.228	-0.228	0.000	0.000	0.000	0.000
237	A	312	ILE	0	0.064	0.036	32.453	0.015	0.015	0.000	0.000	0.000	0.000
238	A	313	ILE	0	-0.004	0.010	34.353	0.015	0.015	0.000	0.000	0.000	0.000
239	A	314	VAL	0	0.042	0.021	34.326	0.012	0.012	0.000	0.000	0.000	0.000
240	A	315	HIS	1	0.828	0.887	30.768	0.181	0.181	0.000	0.000	0.000	0.000
241	A	316	ILE	0	-0.007	0.014	35.645	0.012	0.012	0.000	0.000	0.000	0.000
242	A	317	TYR	0	0.012	-0.011	38.520	0.009	0.009	0.000	0.000	0.000	0.000
243	A	318	MET	0	0.015	0.006	35.872	0.008	0.008	0.000	0.000	0.000	0.000
244	A	319	LEU	0	-0.057	-0.019	37.999	0.009	0.009	0.000	0.000	0.000	0.000
245	A	320	PHE	0	-0.019	-0.015	39.545	0.008	0.008	0.000	0.000	0.000	0.000
246	A	321	VAL	0	0.048	0.053	42.154	0.008	0.008	0.000	0.000	0.000	0.000
247	A	322	SER	0	0.017	0.009	39.748	0.005	0.005	0.000	0.000	0.000	0.000
248	A	323	SER	0	-0.119	-0.083	42.050	0.007	0.007	0.000	0.000	0.000	0.000
249	A	324	VAL	0	-0.038	-0.033	43.783	0.006	0.006	0.000	0.000	0.000	0.000
250	A	325	GLU	-1	-0.901	-0.962	43.419	-0.062	-0.062	0.000	0.000	0.000	0.000
251	A	326	ARG	1	0.754	0.910	43.668	0.025	0.025	0.000	0.000	0.000	0.000
252	A	327	HIS	0	-0.093	-0.039	44.890	0.008	0.008	0.000	0.000	0.000	0.000
253	A	328	SER	0	0.099	0.051	49.024	0.000	0.000	0.000	0.000	0.000	0.000
254	A	329	THR	0	0.009	-0.001	51.657	0.001	0.001	0.000	0.000	0.000	0.000
255	A	330	LEU	0	-0.023	-0.015	50.710	0.001	0.001	0.000	0.000	0.000	0.000
256	A	331	LEU	0	0.024	0.023	51.609	0.000	0.000	0.000	0.000	0.000	0.000
257	A	332	LEU	0	0.093	0.038	54.242	0.000	0.000	0.000	0.000	0.000	0.000
258	A	333	SER	0	-0.035	-0.022	56.739	0.001	0.001	0.000	0.000	0.000	0.000
259	A	334	GLY	0	0.015	-0.012	57.098	0.001	0.001	0.000	0.000	0.000	0.000
260	A	335	ILE	0	-0.022	0.009	57.119	0.000	0.000	0.000	0.000	0.000	0.000
261	A	336	THR	0	-0.002	-0.002	59.970	0.001	0.001	0.000	0.000	0.000	0.000
262	A	337	SER	0	-0.047	-0.019	60.809	0.002	0.002	0.000	0.000	0.000	0.000
263	A	338	ALA	0	0.004	-0.007	62.852	-0.001	-0.001	0.000	0.000	0.000	0.000
264	A	339	ASP	-1	-0.954	-0.978	59.978	-0.021	-0.021	0.000	0.000	0.000	0.000
265	A	340	PRO	0	0.030	0.015	60.828	-0.002	-0.002	0.000	0.000	0.000	0.000
266	A	341	GLU	-1	-0.882	-0.951	55.861	-0.031	-0.031	0.000	0.000	0.000	0.000
267	A	342	LEU	0	-0.014	0.005	54.832	-0.002	-0.002	0.000	0.000	0.000	0.000
268	A	343	SER	0	0.050	0.028	56.159	-0.003	-0.003	0.000	0.000	0.000	0.000
269	A	344	ILE	0	-0.014	-0.013	55.252	-0.003	-0.003	0.000	0.000	0.000	0.000
270	A	345	LEU	0	-0.022	-0.006	49.969	-0.003	-0.003	0.000	0.000	0.000	0.000
271	A	346	VAL	0	0.037	0.023	52.457	-0.004	-0.004	0.000	0.000	0.000	0.000
272	A	347	HIS	1	0.874	0.932	53.537	0.038	0.038	0.000	0.000	0.000	0.000
273	A	348	ARG	1	0.882	0.936	49.679	0.049	0.049	0.000	0.000	0.000	0.000
274	A	349	ILE	0	0.053	0.032	48.083	-0.004	-0.004	0.000	0.000	0.000	0.000
275	A	350	VAL	0	0.025	0.014	49.447	-0.004	-0.004	0.000	0.000	0.000	0.000
276	A	351	GLN	0	0.006	-0.001	51.488	-0.006	-0.006	0.000	0.000	0.000	0.000
277	A	352	GLU	-1	-0.817	-0.884	46.122	-0.084	-0.084	0.000	0.000	0.000	0.000
278	A	353	ILE	0	0.036	0.024	46.573	-0.006	-0.006	0.000	0.000	0.000	0.000
279	A	354	LEU	0	-0.010	0.016	47.821	-0.004	-0.004	0.000	0.000	0.000	0.000
280	A	355	HIS	1	0.806	0.891	47.579	0.076	0.076	0.000	0.000	0.000	0.000
281	A	356	CYS	0	0.018	0.028	43.364	-0.006	-0.006	0.000	0.000	0.000	0.000
282	A	357	THR	0	-0.048	-0.046	44.946	-0.005	-0.005	0.000	0.000	0.000	0.000
283	A	358	ASP	-1	-0.856	-0.955	47.375	-0.090	-0.090	0.000	0.000	0.000	0.000
284	A	359	LYS	1	0.834	0.945	39.484	0.146	0.146	0.000	0.000	0.000	0.000
285	A	360	PRO	0	-0.046	-0.007	45.024	0.001	0.001	0.000	0.000	0.000	0.000
286	A	361	GLY	0	0.100	0.049	43.837	-0.005	-0.005	0.000	0.000	0.000	0.000
287	A	362	ILE	0	-0.077	-0.059	43.619	0.006	0.006	0.000	0.000	0.000	0.000
288	A	363	TYR	0	-0.023	0.044	38.230	-0.011	-0.011	0.000	0.000	0.000	0.000
289	A	364	PRO	0	0.020	-0.037	36.871	0.005	0.005	0.000	0.000	0.000	0.000
290	A	365	VAL	0	-0.043	-0.030	37.214	-0.007	-0.007	0.000	0.000	0.000	0.000
291	A	366	GLU	-1	-0.862	-0.930	37.608	-0.153	-0.153	0.000	0.000	0.000	0.000
292	A	367	GLU	-1	-0.713	-0.835	39.391	-0.124	-0.124	0.000	0.000	0.000	0.000
293	A	368	SER	0	-0.040	-0.044	36.364	-0.003	-0.003	0.000	0.000	0.000	0.000
294	A	369	CYS	0	-0.037	-0.027	38.450	0.003	0.003	0.000	0.000	0.000	0.000
295	A	370	SER	0	-0.041	-0.011	40.690	0.007	0.007	0.000	0.000	0.000	0.000
296	A	371	THR	0	-0.019	-0.005	38.964	0.006	0.006	0.000	0.000	0.000	0.000
297	A	372	MET	0	-0.015	0.002	37.019	0.005	0.005	0.000	0.000	0.000	0.000
298	A	373	ALA	0	0.005	0.003	42.067	0.006	0.006	0.000	0.000	0.000	0.000
299	A	374	LEU	0	0.011	0.004	45.282	0.006	0.006	0.000	0.000	0.000	0.000
300	A	375	ALA	0	0.054	0.029	44.759	0.005	0.005	0.000	0.000	0.000	0.000
301	A	376	PHE	0	0.050	0.020	46.553	0.006	0.006	0.000	0.000	0.000	0.000
302	A	377	TRP	0	0.025	-0.001	48.152	0.007	0.007	0.000	0.000	0.000	0.000
303	A	378	TYR	0	0.015	0.045	49.165	0.004	0.004	0.000	0.000	0.000	0.000
304	A	379	MET	0	0.037	0.014	46.964	0.004	0.004	0.000	0.000	0.000	0.000
305	A	380	LEU	0	-0.047	-0.007	51.380	0.004	0.004	0.000	0.000	0.000	0.000
306	A	381	GLN	0	0.036	-0.003	53.691	0.004	0.004	0.000	0.000	0.000	0.000
307	A	382	ASP	-1	-0.929	-0.962	54.214	-0.034	-0.034	0.000	0.000	0.000	0.000
308	A	383	GLU	-1	-0.866	-0.932	52.096	-0.033	-0.033	0.000	0.000	0.000	0.000
309	A	384	VAL	0	-0.070	-0.044	56.403	0.003	0.003	0.000	0.000	0.000	0.000
310	A	385	PHE	0	-0.026	-0.024	59.188	0.003	0.003	0.000	0.000	0.000	0.000
311	A	386	ALA	0	-0.056	-0.011	58.443	0.002	0.002	0.000	0.000	0.000	0.000
312	A	387	MET	0	-0.060	-0.021	59.833	0.002	0.002	0.000	0.000	0.000	0.000
313	A	388	SER	0	-0.086	-0.045	61.553	0.002	0.002	0.000	0.000	0.000	0.000
314	A	389	ASN	0	0.042	0.013	64.886	0.001	0.001	0.000	0.000	0.000	0.000
315	A	390	ASP	-1	-0.900	-0.947	68.163	-0.018	-0.018	0.000	0.000	0.000	0.000
316	A	391	GLU	-1	-0.896	-0.949	68.678	-0.015	-0.015	0.000	0.000	0.000	0.000
317	A	392	GLN	0	-0.034	-0.028	64.993	-0.002	-0.002	0.000	0.000	0.000	0.000
318	A	393	LYS	1	0.952	0.987	64.962	0.021	0.021	0.000	0.000	0.000	0.000
319	A	394	HIS	0	-0.027	-0.006	65.681	-0.002	-0.002	0.000	0.000	0.000	0.000
320	A	395	LYS	1	0.879	0.940	64.071	0.026	0.026	0.000	0.000	0.000	0.000
321	A	396	CYS	0	-0.065	-0.043	61.554	-0.002	-0.002	0.000	0.000	0.000	0.000
322	A	397	TRP	0	0.050	0.030	62.084	-0.002	-0.002	0.000	0.000	0.000	0.000
323	A	398	GLU	-1	-0.959	-0.985	64.484	-0.030	-0.030	0.000	0.000	0.000	0.000
324	A	399	TYR	0	-0.060	-0.024	56.498	-0.001	-0.001	0.000	0.000	0.000	0.000
325	A	400	ILE	0	0.031	-0.002	58.990	-0.002	-0.002	0.000	0.000	0.000	0.000
326	A	401	LYS	1	0.991	1.001	60.253	0.033	0.033	0.000	0.000	0.000	0.000
327	A	402	PRO	0	-0.003	-0.005	62.128	-0.002	-0.002	0.000	0.000	0.000	0.000
328	A	403	LEU	0	-0.029	0.002	55.085	-0.002	-0.002	0.000	0.000	0.000	0.000
329	A	404	TYR	0	0.021	-0.049	54.273	-0.003	-0.003	0.000	0.000	0.000	0.000
330	A	405	ALA	0	0.003	0.005	58.383	-0.002	-0.002	0.000	0.000	0.000	0.000
331	A	406	HIS	0	-0.051	-0.024	55.337	0.000	0.000	0.000	0.000	0.000	0.000
332	A	407	LEU	0	-0.005	0.004	51.840	-0.003	-0.003	0.000	0.000	0.000	0.000
333	A	408	THR	0	0.030	0.003	54.664	-0.004	-0.004	0.000	0.000	0.000	0.000
334	A	409	ARG	1	0.912	0.937	56.261	0.061	0.061	0.000	0.000	0.000	0.000
335	A	410	ILE	0	-0.057	-0.017	50.978	-0.003	-0.003	0.000	0.000	0.000	0.000
336	A	411	LEU	0	0.024	0.010	50.644	-0.005	-0.005	0.000	0.000	0.000	0.000
337	A	412	VAL	0	0.049	0.019	52.207	-0.004	-0.004	0.000	0.000	0.000	0.000
338	A	413	ARG	1	0.842	0.944	48.181	0.096	0.096	0.000	0.000	0.000	0.000
339	A	414	LYS	1	0.771	0.878	44.842	0.110	0.110	0.000	0.000	0.000	0.000
340	A	415	SER	0	-0.048	-0.018	48.334	-0.004	-0.004	0.000	0.000	0.000	0.000
341	A	416	GLU	-1	-0.912	-0.956	50.558	-0.096	-0.096	0.000	0.000	0.000	0.000
342	A	417	GLN	0	-0.004	0.002	47.948	-0.002	-0.002	0.000	0.000	0.000	0.000
343	A	418	PRO	0	0.019	0.000	44.476	0.003	0.003	0.000	0.000	0.000	0.000
344	A	419	ASP	-1	-0.813	-0.896	47.447	-0.125	-0.125	0.000	0.000	0.000	0.000
345	A	420	GLU	-1	-0.929	-0.979	47.833	-0.124	-0.124	0.000	0.000	0.000	0.000
346	A	421	LYS	1	0.811	0.906	47.267	0.119	0.119	0.000	0.000	0.000	0.000
347	A	422	SER	0	0.012	-0.012	44.407	-0.009	-0.009	0.000	0.000	0.000	0.000
348	A	423	LEU	0	-0.012	-0.007	42.859	-0.007	-0.007	0.000	0.000	0.000	0.000
349	A	424	ALA	0	-0.019	-0.005	42.275	-0.006	-0.006	0.000	0.000	0.000	0.000
350	A	425	LYS	1	0.859	0.930	38.666	0.159	0.159	0.000	0.000	0.000	0.000
351	A	426	TRP	0	-0.035	-0.003	37.575	-0.012	-0.012	0.000	0.000	0.000	0.000
352	A	427	SER	0	0.021	0.025	34.036	0.001	0.001	0.000	0.000	0.000	0.000
353	A	428	SER	0	-0.013	-0.030	36.743	0.009	0.009	0.000	0.000	0.000	0.000
354	A	429	ASP	-1	-0.900	-0.945	32.926	-0.218	-0.218	0.000	0.000	0.000	0.000
355	A	430	ASP	-1	-0.838	-0.923	35.440	-0.208	-0.208	0.000	0.000	0.000	0.000
356	A	431	LEU	0	-0.042	-0.028	37.801	0.013	0.013	0.000	0.000	0.000	0.000
357	A	432	GLU	-1	-0.939	-0.967	38.972	-0.125	-0.125	0.000	0.000	0.000	0.000
358	A	433	CYS	0	-0.028	-0.010	37.079	0.012	0.012	0.000	0.000	0.000	0.000
359	A	434	PHE	0	0.018	0.001	39.800	0.009	0.009	0.000	0.000	0.000	0.000
360	A	435	ARG	1	0.905	0.966	42.832	0.119	0.119	0.000	0.000	0.000	0.000
361	A	436	CYS	0	-0.005	-0.016	41.941	0.007	0.007	0.000	0.000	0.000	0.000
362	A	437	TYR	0	0.027	0.014	42.771	0.007	0.007	0.000	0.000	0.000	0.000
363	A	438	ARG	1	0.759	0.842	44.499	0.103	0.103	0.000	0.000	0.000	0.000
364	A	439	GLN	0	-0.047	-0.005	46.943	0.004	0.004	0.000	0.000	0.000	0.000
365	A	440	ASP	-1	-0.848	-0.919	44.240	-0.092	-0.092	0.000	0.000	0.000	0.000
366	A	441	ILE	0	-0.076	-0.037	47.821	0.006	0.006	0.000	0.000	0.000	0.000
367	A	442	SER	0	-0.024	-0.038	50.085	0.003	0.003	0.000	0.000	0.000	0.000
368	A	443	ASP	-1	-0.840	-0.909	49.633	-0.069	-0.069	0.000	0.000	0.000	0.000
369	A	444	THR	0	-0.060	-0.056	50.206	0.004	0.004	0.000	0.000	0.000	0.000
370	A	445	PHE	0	-0.005	-0.011	52.721	0.003	0.003	0.000	0.000	0.000	0.000
371	A	446	MET	0	0.007	0.023	55.530	0.004	0.004	0.000	0.000	0.000	0.000
372	A	447	TYR	0	0.033	0.020	50.953	0.004	0.004	0.000	0.000	0.000	0.000
373	A	448	CYS	0	-0.074	-0.041	55.564	0.002	0.002	0.000	0.000	0.000	0.000
374	A	449	TYR	0	-0.009	0.007	58.331	0.002	0.002	0.000	0.000	0.000	0.000
375	A	450	ASP	-1	-0.895	-0.939	59.137	-0.042	-0.042	0.000	0.000	0.000	0.000
376	A	451	VAL	0	-0.088	-0.039	58.862	0.003	0.003	0.000	0.000	0.000	0.000
377	A	452	LEU	0	-0.123	-0.071	60.786	0.002	0.002	0.000	0.000	0.000	0.000
378	A	453	ASN	0	-0.027	-0.004	63.990	0.001	0.001	0.000	0.000	0.000	0.000
379	A	454	ASP	-1	-0.819	-0.924	65.262	-0.041	-0.041	0.000	0.000	0.000	0.000
380	A	455	TYR	0	-0.052	-0.029	64.908	-0.001	-0.001	0.000	0.000	0.000	0.000
381	A	456	ILE	0	0.005	0.004	59.386	-0.001	-0.001	0.000	0.000	0.000	0.000
382	A	457	LEU	0	0.039	0.019	63.307	-0.002	-0.002	0.000	0.000	0.000	0.000
383	A	458	GLU	-1	-0.894	-0.936	65.625	-0.046	-0.046	0.000	0.000	0.000	0.000
384	A	459	ILE	0	-0.046	-0.024	60.998	-0.001	-0.001	0.000	0.000	0.000	0.000
385	A	460	LEU	0	0.026	0.013	59.071	-0.002	-0.002	0.000	0.000	0.000	0.000
386	A	461	ALA	0	-0.013	-0.016	62.557	-0.002	-0.002	0.000	0.000	0.000	0.000
387	A	462	ALA	0	0.021	0.012	64.898	-0.001	-0.001	0.000	0.000	0.000	0.000
388	A	463	MET	0	-0.025	0.002	57.306	-0.001	-0.001	0.000	0.000	0.000	0.000
389	A	464	LEU	0	-0.003	0.000	62.105	-0.002	-0.002	0.000	0.000	0.000	0.000
390	A	465	ASP	-1	-0.854	-0.926	63.452	-0.056	-0.056	0.000	0.000	0.000	0.000
391	A	466	GLU	-1	-0.916	-0.957	61.584	-0.066	-0.066	0.000	0.000	0.000	0.000
392	A	467	ALA	0	-0.049	-0.025	60.701	-0.002	-0.002	0.000	0.000	0.000	0.000
393	A	468	ILE	0	0.017	0.012	61.993	-0.002	-0.002	0.000	0.000	0.000	0.000
394	A	469	ALA	0	-0.014	-0.008	65.192	0.000	0.000	0.000	0.000	0.000	0.000
395	A	470	ASP	-1	-0.951	-0.997	59.883	-0.082	-0.082	0.000	0.000	0.000	0.000
396	A	471	LEU	0	0.021	0.035	61.860	-0.001	-0.001	0.000	0.000	0.000	0.000
397	A	472	GLN	0	-0.074	-0.044	63.351	0.000	0.000	0.000	0.000	0.000	0.000
398	A	473	ARG	1	0.859	0.937	63.591	0.065	0.065	0.000	0.000	0.000	0.000
399	A	474	HIS	0	-0.018	-0.008	60.232	-0.002	-0.002	0.000	0.000	0.000	0.000
400	A	475	PRO	0	0.004	0.010	61.643	-0.001	-0.001	0.000	0.000	0.000	0.000
401	A	476	THR	0	0.028	0.001	56.723	0.001	0.001	0.000	0.000	0.000	0.000
402	A	477	HIS	0	0.044	0.027	56.764	-0.003	-0.003	0.000	0.000	0.000	0.000
403	A	478	TRP	0	0.008	-0.008	51.508	0.004	0.004	0.000	0.000	0.000	0.000
404	A	479	THR	0	0.009	0.016	51.766	0.002	0.002	0.000	0.000	0.000	0.000
405	A	480	LYS	1	0.975	0.997	54.660	0.080	0.080	0.000	0.000	0.000	0.000
406	A	481	LEU	0	0.026	0.008	56.798	0.002	0.002	0.000	0.000	0.000	0.000
407	A	482	GLU	-1	-0.811	-0.892	53.329	-0.092	-0.092	0.000	0.000	0.000	0.000
408	A	483	ALA	0	0.060	0.035	53.911	0.001	0.001	0.000	0.000	0.000	0.000
409	A	484	CYS	0	-0.026	-0.003	55.354	0.002	0.002	0.000	0.000	0.000	0.000
410	A	485	ILE	0	-0.002	0.044	58.826	0.003	0.003	0.000	0.000	0.000	0.000
411	A	486	TYR	0	0.023	-0.004	51.288	0.001	0.001	0.000	0.000	0.000	0.000
412	A	487	SER	0	-0.080	-0.078	56.512	0.002	0.002	0.000	0.000	0.000	0.000
413	A	488	PHE	0	0.000	-0.037	57.337	0.003	0.003	0.000	0.000	0.000	0.000
414	A	489	GLN	0	-0.002	0.002	56.423	0.000	0.000	0.000	0.000	0.000	0.000
415	A	490	SER	0	-0.070	-0.007	55.251	0.000	0.000	0.000	0.000	0.000	0.000
416	A	491	VAL	0	-0.008	-0.003	57.271	0.001	0.001	0.000	0.000	0.000	0.000
417	A	492	ALA	0	0.001	0.009	60.423	0.003	0.003	0.000	0.000	0.000	0.000
418	A	493	GLU	-1	-0.967	-0.983	59.307	-0.055	-0.055	0.000	0.000	0.000	0.000
419	A	494	HIS	0	-0.034	-0.021	60.015	0.003	0.003	0.000	0.000	0.000	0.000
420	A	495	PHE	0	-0.027	-0.016	63.873	0.002	0.002	0.000	0.000	0.000	0.000
421	A	496	GLY	0	0.056	0.050	67.177	0.002	0.002	0.000	0.000	0.000	0.000
422	A	497	GLY	0	0.028	-0.019	69.078	-0.002	-0.002	0.000	0.000	0.000	0.000
423	A	498	GLU	-1	-0.821	-0.879	72.139	-0.038	-0.038	0.000	0.000	0.000	0.000
424	A	499	GLU	-1	-0.823	-0.917	72.800	-0.035	-0.035	0.000	0.000	0.000	0.000
425	A	500	LYN	0	0.003	0.020	67.219	-0.001	-0.001	0.000	0.000	0.000	0.000
426	A	501	ARG	1	0.730	0.849	72.031	0.036	0.036	0.000	0.000	0.000	0.000
427	A	502	GLN	0	-0.012	-0.015	68.295	-0.002	-0.002	0.000	0.000	0.000	0.000
428	A	503	ILE	0	0.086	0.041	66.266	-0.001	-0.001	0.000	0.000	0.000	0.000
429	A	504	PRO	0	0.009	0.012	69.348	-0.001	-0.001	0.000	0.000	0.000	0.000
430	A	505	ARG	1	0.848	0.921	66.509	0.053	0.053	0.000	0.000	0.000	0.000
431	A	506	LEU	0	0.054	0.034	63.805	-0.001	-0.001	0.000	0.000	0.000	0.000
432	A	507	MET	0	0.004	0.006	67.598	-0.002	-0.002	0.000	0.000	0.000	0.000
433	A	508	ARG	1	0.897	0.953	69.591	0.046	0.046	0.000	0.000	0.000	0.000
434	A	509	VAL	0	0.016	0.017	65.792	-0.001	-0.001	0.000	0.000	0.000	0.000
435	A	510	LEU	0	0.005	0.004	63.317	-0.002	-0.002	0.000	0.000	0.000	0.000
436	A	511	ALA	0	-0.052	0.019	66.841	-0.001	-0.001	0.000	0.000	0.000	0.000
437	A	512	GLU	-1	-0.998	-0.979	69.281	-0.057	-0.057	0.000	0.000	0.000	0.000
438	A	513	ILE	0	-0.019	-0.009	62.955	-0.001	-0.001	0.000	0.000	0.000	0.000
439	A	514	PRO	0	0.008	-0.003	64.704	0.000	0.000	0.000	0.000	0.000	0.000
440	A	515	TYR	0	-0.047	-0.078	62.291	-0.001	-0.001	0.000	0.000	0.000	0.000
441	A	516	GLU	-1	-0.855	-0.925	62.118	-0.072	-0.072	0.000	0.000	0.000	0.000
442	A	517	LYS	1	0.787	0.896	62.739	0.074	0.074	0.000	0.000	0.000	0.000
443	A	518	LEU	0	-0.031	-0.013	59.422	-0.002	-0.002	0.000	0.000	0.000	0.000
444	A	519	ASN	0	0.055	0.035	52.807	0.001	0.001	0.000	0.000	0.000	0.000
445	A	520	VAL	0	0.077	0.024	56.345	0.003	0.003	0.000	0.000	0.000	0.000
446	A	521	LYS	1	0.926	0.958	48.376	0.123	0.123	0.000	0.000	0.000	0.000
447	A	522	LEU	0	0.036	0.040	54.906	0.001	0.001	0.000	0.000	0.000	0.000
448	A	523	LEU	0	0.013	0.008	57.556	0.002	0.002	0.000	0.000	0.000	0.000
449	A	524	GLY	0	-0.018	-0.024	56.704	0.003	0.003	0.000	0.000	0.000	0.000
450	A	525	THR	0	0.013	0.006	54.618	0.002	0.002	0.000	0.000	0.000	0.000
451	A	526	ALA	0	0.023	0.019	57.130	0.003	0.003	0.000	0.000	0.000	0.000
452	A	527	LEU	0	-0.083	-0.028	59.990	0.003	0.003	0.000	0.000	0.000	0.000
453	A	528	GLU	-1	-0.926	-0.970	54.971	-0.079	-0.079	0.000	0.000	0.000	0.000
454	A	529	THR	0	0.013	0.010	59.166	0.002	0.002	0.000	0.000	0.000	0.000
455	A	530	MET	0	-0.029	-0.012	60.970	0.003	0.003	0.000	0.000	0.000	0.000
456	A	531	GLY	0	-0.041	-0.036	62.482	0.002	0.002	0.000	0.000	0.000	0.000
457	A	532	SER	0	0.015	0.002	59.996	0.001	0.001	0.000	0.000	0.000	0.000
458	A	533	TYR	-1	-0.869	-0.933	62.356	-0.053	-0.053	0.000	0.000	0.000	0.000
459	A	534	CYS	0	-0.052	-0.007	65.753	0.001	0.001	0.000	0.000	0.000	0.000
460	A	535	ASN	0	0.060	0.025	67.332	0.002	0.002	0.000	0.000	0.000	0.000
461	A	536	TRP	0	0.036	0.009	68.686	0.001	0.001	0.000	0.000	0.000	0.000
462	A	537	LEU	0	-0.046	-0.039	69.307	0.001	0.001	0.000	0.000	0.000	0.000
463	A	538	MET	0	-0.102	-0.047	71.734	0.002	0.002	0.000	0.000	0.000	0.000
464	A	539	GLU	-1	-0.938	-0.964	73.353	-0.033	-0.033	0.000	0.000	0.000	0.000
465	A	540	ASN	0	-0.102	-0.049	74.340	0.002	0.002	0.000	0.000	0.000	0.000
466	A	541	PRO	0	-0.007	-0.002	75.720	-0.001	-0.001	0.000	0.000	0.000	0.000
467	A	542	ALA	0	-0.026	-0.021	78.132	-0.001	-0.001	0.000	0.000	0.000	0.000
468	A	543	TYR	0	0.001	-0.010	73.304	0.000	0.000	0.000	0.000	0.000	0.000
469	A	544	ILE	0	0.087	0.047	73.310	-0.002	-0.002	0.000	0.000	0.000	0.000
470	A	545	PRO	0	0.000	-0.009	73.397	-0.002	-0.002	0.000	0.000	0.000	0.000
471	A	546	PRO	0	-0.018	-0.014	72.425	-0.001	-0.001	0.000	0.000	0.000	0.000
472	A	547	ALA	0	0.093	0.056	69.412	-0.002	-0.002	0.000	0.000	0.000	0.000
473	A	548	ILE	0	0.022	0.012	69.056	-0.002	-0.002	0.000	0.000	0.000	0.000
474	A	549	ASN	0	-0.029	-0.018	70.371	-0.001	-0.001	0.000	0.000	0.000	0.000
475	A	550	LEU	0	0.003	0.010	64.854	-0.002	-0.002	0.000	0.000	0.000	0.000
476	A	551	LEU	0	0.046	0.020	64.784	-0.003	-0.003	0.000	0.000	0.000	0.000
477	A	552	VAL	0	0.003	0.005	65.962	-0.002	-0.002	0.000	0.000	0.000	0.000
478	A	553	ARG	1	0.848	0.915	66.348	0.063	0.063	0.000	0.000	0.000	0.000
479	A	554	GLY	0	0.036	0.011	62.859	-0.003	-0.003	0.000	0.000	0.000	0.000
480	A	555	LEU	0	-0.040	-0.024	62.195	-0.003	-0.003	0.000	0.000	0.000	0.000
481	A	556	ASN	0	-0.052	-0.027	63.633	-0.002	-0.002	0.000	0.000	0.000	0.000
482	A	557	SER	0	0.007	0.022	60.412	-0.003	-0.003	0.000	0.000	0.000	0.000
483	A	558	SER	0	-0.023	-0.028	55.708	0.001	0.001	0.000	0.000	0.000	0.000
484	A	559	MET	0	-0.030	0.010	53.121	-0.003	-0.003	0.000	0.000	0.000	0.000
485	A	560	SER	0	0.033	-0.013	57.601	0.002	0.002	0.000	0.000	0.000	0.000
486	A	561	ALA	0	-0.067	-0.008	55.544	0.003	0.003	0.000	0.000	0.000	0.000
487	A	562	GLN	0	0.112	0.042	54.234	0.003	0.003	0.000	0.000	0.000	0.000
488	A	563	ALA	0	0.014	0.030	58.228	0.003	0.003	0.000	0.000	0.000	0.000
489	A	564	THR	0	-0.051	-0.060	60.814	0.003	0.003	0.000	0.000	0.000	0.000
490	A	565	LEU	0	-0.053	-0.035	56.063	0.003	0.003	0.000	0.000	0.000	0.000
491	A	566	GLY	0	0.092	0.053	60.497	0.002	0.002	0.000	0.000	0.000	0.000
492	A	567	LEU	0	-0.001	0.000	62.960	0.002	0.002	0.000	0.000	0.000	0.000
493	A	568	LYS	1	0.900	0.944	60.600	0.058	0.058	0.000	0.000	0.000	0.000
494	A	569	GLU	-1	-0.924	-0.973	61.629	-0.052	-0.052	0.000	0.000	0.000	0.000
495	A	570	LEU	0	0.041	0.029	64.899	0.001	0.001	0.000	0.000	0.000	0.000
496	A	571	CYS	0	-0.078	-0.036	67.882	0.002	0.002	0.000	0.000	0.000	0.000
497	A	572	ARG	1	0.846	0.915	61.566	0.052	0.052	0.000	0.000	0.000	0.000
498	A	573	ASP	-1	-0.833	-0.911	67.849	-0.044	-0.044	0.000	0.000	0.000	0.000
499	A	574	CYS	0	-0.021	-0.003	70.604	-0.001	-0.001	0.000	0.000	0.000	0.000
500	A	575	GLN	0	0.023	0.018	73.186	0.000	0.000	0.000	0.000	0.000	0.000
501	A	576	LEU	0	-0.006	-0.009	74.553	0.000	0.000	0.000	0.000	0.000	0.000
502	A	577	GLN	0	0.049	0.021	76.687	0.000	0.000	0.000	0.000	0.000	0.000
503	A	578	LEU	0	0.008	-0.001	72.689	0.000	0.000	0.000	0.000	0.000	0.000
504	A	579	LYS	1	0.951	0.975	77.007	0.031	0.031	0.000	0.000	0.000	0.000
505	A	580	PRO	0	-0.029	-0.019	79.968	0.000	0.000	0.000	0.000	0.000	0.000
506	A	581	TYR	0	-0.028	-0.005	77.104	0.000	0.000	0.000	0.000	0.000	0.000
507	A	582	ALA	0	0.071	0.041	77.179	-0.002	-0.002	0.000	0.000	0.000	0.000
508	A	583	ASP	-1	-0.719	-0.844	77.072	-0.040	-0.040	0.000	0.000	0.000	0.000
509	A	584	PRO	0	-0.042	-0.020	77.704	-0.001	-0.001	0.000	0.000	0.000	0.000
510	A	585	LEU	0	0.055	0.036	70.899	-0.002	-0.002	0.000	0.000	0.000	0.000
511	A	586	LEU	0	0.041	0.015	73.170	-0.002	-0.002	0.000	0.000	0.000	0.000
512	A	587	ASN	0	-0.017	-0.011	74.067	-0.001	-0.001	0.000	0.000	0.000	0.000
513	A	588	ALA	0	-0.004	0.010	71.791	-0.001	-0.001	0.000	0.000	0.000	0.000
514	A	589	CYS	0	-0.035	-0.017	69.507	-0.003	-0.003	0.000	0.000	0.000	0.000
515	A	590	HIS	0	0.052	0.027	69.504	-0.002	-0.002	0.000	0.000	0.000	0.000
516	A	591	ALA	0	-0.033	-0.010	71.106	-0.001	-0.001	0.000	0.000	0.000	0.000
517	A	592	SER	0	-0.047	-0.044	66.326	-0.002	-0.002	0.000	0.000	0.000	0.000
518	A	593	LEU	0	-0.054	-0.029	65.639	-0.002	-0.002	0.000	0.000	0.000	0.000
519	A	594	ASN	0	-0.040	-0.018	67.195	-0.002	-0.002	0.000	0.000	0.000	0.000
520	A	595	THR	0	-0.067	-0.009	64.644	-0.002	-0.002	0.000	0.000	0.000	0.000
521	A	596	GLY	0	0.021	0.003	63.869	-0.001	-0.001	0.000	0.000	0.000	0.000
522	A	597	ARG	1	0.802	0.911	58.814	0.077	0.077	0.000	0.000	0.000	0.000
523	A	598	MET	0	0.011	0.007	59.431	-0.003	-0.003	0.000	0.000	0.000	0.000
524	A	599	LYS	1	0.940	0.976	53.631	0.090	0.090	0.000	0.000	0.000	0.000
525	A	600	ASN	0	0.059	0.016	56.527	0.004	0.004	0.000	0.000	0.000	0.000
526	A	601	SER	0	0.037	0.004	54.053	0.003	0.003	0.000	0.000	0.000	0.000
527	A	602	ASP	-1	-0.761	-0.871	56.975	-0.079	-0.079	0.000	0.000	0.000	0.000
528	A	603	SER	0	0.047	0.023	59.431	0.003	0.003	0.000	0.000	0.000	0.000
529	A	604	VAL	0	-0.017	-0.001	59.336	0.003	0.003	0.000	0.000	0.000	0.000
530	A	605	ARG	1	0.883	0.945	56.240	0.076	0.076	0.000	0.000	0.000	0.000
531	A	606	LEU	0	0.040	0.015	62.002	0.002	0.002	0.000	0.000	0.000	0.000
532	A	607	MET	0	0.011	0.024	64.669	0.002	0.002	0.000	0.000	0.000	0.000
533	A	608	PHE	0	-0.008	0.002	64.326	0.002	0.002	0.000	0.000	0.000	0.000
534	A	609	SER	0	0.024	0.013	65.498	0.002	0.002	0.000	0.000	0.000	0.000
535	A	610	ILE	0	0.032	0.003	67.980	0.002	0.002	0.000	0.000	0.000	0.000
536	A	611	GLY	0	0.045	0.021	69.742	0.002	0.002	0.000	0.000	0.000	0.000
537	A	612	LYS	1	0.840	0.924	69.807	0.043	0.043	0.000	0.000	0.000	0.000
538	A	613	LEU	0	-0.001	-0.009	71.874	0.001	0.001	0.000	0.000	0.000	0.000
539	A	614	MET	0	-0.041	-0.023	74.012	0.001	0.001	0.000	0.000	0.000	0.000
540	A	615	SER	0	-0.027	-0.001	74.451	0.001	0.001	0.000	0.000	0.000	0.000
541	A	616	LEU	0	-0.040	0.012	75.996	0.001	0.001	0.000	0.000	0.000	0.000
542	A	617	LEU	0	-0.008	-0.007	78.448	0.000	0.000	0.000	0.000	0.000	0.000
543	A	618	ARG	1	0.801	0.880	81.418	0.031	0.031	0.000	0.000	0.000	0.000
544	A	619	PRO	0	0.011	0.007	84.154	-0.001	-0.001	0.000	0.000	0.000	0.000
545	A	620	GLU	-1	-0.800	-0.913	85.446	-0.030	-0.030	0.000	0.000	0.000	0.000
546	A	621	GLU	-1	-0.856	-0.910	83.408	-0.036	-0.036	0.000	0.000	0.000	0.000
547	A	622	ILE	0	0.003	0.001	78.577	-0.001	-0.001	0.000	0.000	0.000	0.000
548	A	623	PRO	0	-0.018	-0.019	80.165	-0.001	-0.001	0.000	0.000	0.000	0.000
549	A	624	LYS	1	0.796	0.893	80.801	0.037	0.037	0.000	0.000	0.000	0.000
550	A	625	TYR	0	0.001	-0.039	76.530	-0.002	-0.002	0.000	0.000	0.000	0.000
551	A	626	LEU	0	-0.035	-0.009	76.005	-0.001	-0.001	0.000	0.000	0.000	0.000
552	A	627	ASP	-1	-0.965	-0.987	76.306	-0.042	-0.042	0.000	0.000	0.000	0.000
553	A	628	ILE	0	0.025	0.021	75.066	-0.001	-0.001	0.000	0.000	0.000	0.000
554	A	629	ILE	0	-0.029	-0.026	71.839	-0.002	-0.002	0.000	0.000	0.000	0.000
555	A	630	VAL	0	-0.032	-0.016	71.409	-0.001	-0.001	0.000	0.000	0.000	0.000
556	A	631	SER	0	0.029	0.017	71.995	0.000	0.000	0.000	0.000	0.000	0.000
557	A	632	PRO	0	0.069	0.050	70.526	0.000	0.000	0.000	0.000	0.000	0.000
558	A	633	CYS	0	-0.017	-0.001	67.998	-0.002	-0.002	0.000	0.000	0.000	0.000
559	A	634	PHE	0	0.015	-0.010	68.768	0.000	0.000	0.000	0.000	0.000	0.000
560	A	635	GLU	-1	-0.908	-0.943	71.286	-0.046	-0.046	0.000	0.000	0.000	0.000
561	A	636	GLU	-1	-0.799	-0.877	64.697	-0.062	-0.062	0.000	0.000	0.000	0.000
562	A	637	LEU	0	-0.021	-0.013	65.185	-0.001	-0.001	0.000	0.000	0.000	0.000
563	A	638	GLN	0	-0.033	-0.024	68.012	0.000	0.000	0.000	0.000	0.000	0.000
564	A	639	ALA	0	0.008	0.013	68.778	0.001	0.001	0.000	0.000	0.000	0.000
565	A	640	ILE	0	-0.055	-0.022	63.090	-0.001	-0.001	0.000	0.000	0.000	0.000
566	A	641	CYS	0	-0.049	-0.026	66.603	0.001	0.001	0.000	0.000	0.000	0.000
567	A	642	GLN	0	-0.033	-0.016	68.625	0.000	0.000	0.000	0.000	0.000	0.000
568	A	643	ALA	0	-0.020	-0.001	66.631	0.000	0.000	0.000	0.000	0.000	0.000
569	A	644	ASP	-1	-0.922	-0.955	65.520	-0.049	-0.049	0.000	0.000	0.000	0.000
570	A	645	SER	0	-0.038	-0.034	62.224	-0.002	-0.002	0.000	0.000	0.000	0.000
571	A	646	LYS	1	0.967	0.982	59.437	0.053	0.053	0.000	0.000	0.000	0.000
572	A	647	THR	0	-0.020	0.002	57.569	-0.003	-0.003	0.000	0.000	0.000	0.000
573	A	648	PRO	0	0.051	0.002	53.223	0.001	0.001	0.000	0.000	0.000	0.000
574	A	649	ALA	0	0.029	0.010	55.398	0.000	0.000	0.000	0.000	0.000	0.000
575	A	650	ALA	0	0.055	0.033	57.210	0.001	0.001	0.000	0.000	0.000	0.000
576	A	651	ARG	1	0.925	0.991	53.250	0.073	0.073	0.000	0.000	0.000	0.000
577	A	652	ILE	0	-0.029	-0.021	52.812	0.002	0.002	0.000	0.000	0.000	0.000
578	A	653	ARG	1	0.933	0.974	56.913	0.070	0.070	0.000	0.000	0.000	0.000
579	A	654	THR	0	0.037	0.011	60.474	0.003	0.003	0.000	0.000	0.000	0.000
580	A	655	ILE	0	-0.008	-0.004	55.782	0.002	0.002	0.000	0.000	0.000	0.000
581	A	656	PHE	0	-0.038	-0.015	59.106	0.001	0.001	0.000	0.000	0.000	0.000
582	A	657	ARG	1	0.810	0.871	60.323	0.060	0.060	0.000	0.000	0.000	0.000
583	A	658	LEU	0	0.011	0.004	62.115	0.002	0.002	0.000	0.000	0.000	0.000
584	A	659	ASN	0	0.024	0.016	57.587	0.003	0.003	0.000	0.000	0.000	0.000
585	A	660	MET	0	0.007	0.031	61.880	0.001	0.001	0.000	0.000	0.000	0.000
586	A	661	ILE	0	-0.004	0.011	64.492	0.002	0.002	0.000	0.000	0.000	0.000
587	A	662	SER	0	-0.031	-0.020	63.168	0.002	0.002	0.000	0.000	0.000	0.000
588	A	663	THR	0	-0.049	-0.068	62.938	0.001	0.001	0.000	0.000	0.000	0.000
589	A	664	LEU	0	-0.003	0.011	65.071	0.001	0.001	0.000	0.000	0.000	0.000
590	A	665	PHE	0	-0.020	-0.034	68.530	0.002	0.002	0.000	0.000	0.000	0.000
591	A	666	SER	0	-0.038	-0.006	65.481	0.001	0.001	0.000	0.000	0.000	0.000
592	A	667	SER	0	-0.093	-0.059	67.715	0.001	0.001	0.000	0.000	0.000	0.000
593	A	668	LEU	0	-0.068	-0.029	69.812	0.001	0.001	0.000	0.000	0.000	0.000
594	A	669	ASN	0	0.009	0.003	73.216	0.002	0.002	0.000	0.000	0.000	0.000
595	A	670	THR	0	-0.011	-0.024	75.535	0.000	0.000	0.000	0.000	0.000	0.000
596	A	671	ASP	-1	-0.951	-0.961	78.955	-0.027	-0.027	0.000	0.000	0.000	0.000
597	A	672	VAL	0	-0.018	-0.010	77.667	-0.001	-0.001	0.000	0.000	0.000	0.000
598	A	673	ASP	-1	-0.862	-0.899	79.623	-0.029	-0.029	0.000	0.000	0.000	0.000
599	A	674	GLU	-1	-0.893	-0.953	81.536	-0.023	-0.023	0.000	0.000	0.000	0.000
600	A	675	GLN	0	-0.074	-0.057	84.138	0.000	0.000	0.000	0.000	0.000	0.000
601	A	676	ALA	0	0.001	-0.020	86.457	0.000	0.000	0.000	0.000	0.000	0.000
602	A	677	THR	0	0.014	0.003	88.618	0.000	0.000	0.000	0.000	0.000	0.000
603	A	678	ASP	-1	-0.975	-0.967	87.713	-0.027	-0.027	0.000	0.000	0.000	0.000
604	A	679	GLN	0	-0.037	-0.025	83.009	-0.001	-0.001	0.000	0.000	0.000	0.000
605	A	680	PRO	0	-0.016	-0.009	82.487	0.001	0.001	0.000	0.000	0.000	0.000
606	A	681	ILE	0	0.031	0.026	84.610	0.000	0.000	0.000	0.000	0.000	0.000
607	A	682	VAL	0	-0.045	-0.015	82.857	0.000	0.000	0.000	0.000	0.000	0.000
608	A	683	GLN	0	0.034	0.012	78.045	-0.002	-0.002	0.000	0.000	0.000	0.000
609	A	684	PRO	0	0.052	0.023	77.374	0.000	0.000	0.000	0.000	0.000	0.000
610	A	685	VAL	0	0.034	0.019	72.937	0.000	0.000	0.000	0.000	0.000	0.000
611	A	686	LEU	0	0.021	0.013	75.786	0.000	0.000	0.000	0.000	0.000	0.000
612	A	687	LEU	0	0.058	0.029	77.827	0.000	0.000	0.000	0.000	0.000	0.000
613	A	688	VAL	0	0.006	-0.001	73.962	0.000	0.000	0.000	0.000	0.000	0.000
614	A	689	MET	0	-0.033	0.014	72.628	-0.001	-0.001	0.000	0.000	0.000	0.000
615	A	690	GLN	0	-0.032	-0.029	75.493	0.000	0.000	0.000	0.000	0.000	0.000
616	A	691	ARG	1	0.876	0.950	76.854	0.039	0.039	0.000	0.000	0.000	0.000
617	A	692	THR	0	-0.046	-0.056	73.075	-0.001	-0.001	0.000	0.000	0.000	0.000
618	A	693	MET	0	0.035	0.028	73.326	-0.001	-0.001	0.000	0.000	0.000	0.000
619	A	694	PRO	0	0.008	-0.005	73.048	-0.001	-0.001	0.000	0.000	0.000	0.000
620	A	695	ILE	0	-0.031	-0.015	70.164	-0.001	-0.001	0.000	0.000	0.000	0.000
621	A	696	PHE	0	0.030	0.020	67.568	-0.002	-0.002	0.000	0.000	0.000	0.000
622	A	697	LYS	1	0.836	0.909	68.511	0.031	0.031	0.000	0.000	0.000	0.000
623	A	698	ARG	1	0.967	0.990	69.318	0.040	0.040	0.000	0.000	0.000	0.000
624	A	699	ILE	0	-0.007	-0.003	64.582	-0.001	-0.001	0.000	0.000	0.000	0.000
625	A	700	ALA	0	-0.020	-0.018	64.767	-0.002	-0.002	0.000	0.000	0.000	0.000
626	A	701	GLU	-1	-0.924	-0.967	64.725	-0.038	-0.038	0.000	0.000	0.000	0.000
627	A	702	MET	0	-0.034	0.024	63.571	-0.001	-0.001	0.000	0.000	0.000	0.000
628	A	703	TRP	0	-0.049	-0.056	58.425	-0.004	-0.004	0.000	0.000	0.000	0.000
629	A	704	VAL	0	0.055	0.046	60.682	0.000	0.000	0.000	0.000	0.000	0.000
630	A	705	GLU	-1	-0.875	-0.932	57.250	-0.046	-0.046	0.000	0.000	0.000	0.000
631	A	706	GLU	-1	-0.951	-0.985	55.657	-0.064	-0.064	0.000	0.000	0.000	0.000
632	A	707	ILE	0	0.037	0.010	52.176	0.002	0.002	0.000	0.000	0.000	0.000
633	A	708	ASP	-1	-0.835	-0.928	53.317	-0.067	-0.067	0.000	0.000	0.000	0.000
634	A	709	VAL	0	-0.006	-0.003	55.975	0.001	0.001	0.000	0.000	0.000	0.000
635	A	710	LEU	0	0.025	0.019	59.527	0.002	0.002	0.000	0.000	0.000	0.000
636	A	711	GLU	-1	-0.904	-0.953	55.992	-0.046	-0.046	0.000	0.000	0.000	0.000
637	A	712	ALA	0	0.021	0.009	59.091	0.001	0.001	0.000	0.000	0.000	0.000
638	A	713	ALA	0	0.012	0.003	60.534	0.001	0.001	0.000	0.000	0.000	0.000
639	A	714	CYS	0	-0.052	-0.025	61.970	0.002	0.002	0.000	0.000	0.000	0.000
640	A	715	SER	0	0.004	0.010	60.383	0.002	0.002	0.000	0.000	0.000	0.000
641	A	716	ALA	0	0.031	0.004	62.615	0.001	0.001	0.000	0.000	0.000	0.000
642	A	717	MET	0	-0.024	-0.009	65.810	0.002	0.002	0.000	0.000	0.000	0.000
643	A	718	LYS	1	0.895	0.953	60.459	0.042	0.042	0.000	0.000	0.000	0.000
644	A	719	HIS	0	0.021	0.011	61.313	0.003	0.003	0.000	0.000	0.000	0.000
645	A	720	ALA	0	0.009	0.011	66.454	0.001	0.001	0.000	0.000	0.000	0.000
646	A	721	ILE	0	-0.055	-0.029	69.170	0.001	0.001	0.000	0.000	0.000	0.000
647	A	722	THR	0	-0.093	-0.069	65.996	0.001	0.001	0.000	0.000	0.000	0.000
648	A	723	ASN	0	-0.029	0.011	69.023	0.002	0.002	0.000	0.000	0.000	0.000
649	A	724	LEU	0	0.047	0.022	71.110	0.001	0.001	0.000	0.000	0.000	0.000
650	A	725	ARG	1	0.952	0.966	72.529	0.028	0.028	0.000	0.000	0.000	0.000
651	A	726	SER	0	-0.013	-0.021	74.235	0.001	0.001	0.000	0.000	0.000	0.000
652	A	727	SER	0	0.019	0.014	77.754	0.001	0.001	0.000	0.000	0.000	0.000
653	A	728	PHE	0	0.020	0.008	73.095	0.000	0.000	0.000	0.000	0.000	0.000
654	A	729	GLN	0	-0.030	-0.030	77.146	0.000	0.000	0.000	0.000	0.000	0.000
655	A	730	PRO	0	0.021	0.019	79.469	0.000	0.000	0.000	0.000	0.000	0.000
656	A	731	MET	0	-0.013	0.012	75.310	0.000	0.000	0.000	0.000	0.000	0.000
657	A	732	LEU	0	0.043	0.029	75.327	-0.001	-0.001	0.000	0.000	0.000	0.000
658	A	733	GLN	0	0.069	0.027	75.703	0.000	0.000	0.000	0.000	0.000	0.000
659	A	734	ASP	-1	-0.795	-0.910	76.450	-0.029	-0.029	0.000	0.000	0.000	0.000
660	A	735	LEU	0	-0.005	0.002	69.746	-0.001	-0.001	0.000	0.000	0.000	0.000
661	A	736	CYS	0	-0.042	-0.020	71.950	0.000	0.000	0.000	0.000	0.000	0.000
662	A	737	LEU	0	-0.022	-0.010	73.075	0.000	0.000	0.000	0.000	0.000	0.000
663	A	738	PHE	0	-0.060	-0.025	66.727	0.000	0.000	0.000	0.000	0.000	0.000
664	A	739	ILE	0	0.031	0.009	67.765	-0.001	-0.001	0.000	0.000	0.000	0.000
665	A	740	VAL	0	0.023	0.005	68.469	0.000	0.000	0.000	0.000	0.000	0.000
666	A	741	ALA	0	-0.054	-0.031	70.060	0.000	0.000	0.000	0.000	0.000	0.000
667	A	742	SER	0	-0.015	0.018	64.664	-0.001	-0.001	0.000	0.000	0.000	0.000
668	A	743	PHE	0	-0.009	-0.017	64.442	-0.001	-0.001	0.000	0.000	0.000	0.000
669	A	744	GLN	0	-0.015	0.011	65.998	0.001	0.001	0.000	0.000	0.000	0.000
670	A	745	THR	0	-0.030	-0.032	64.785	-0.002	-0.002	0.000	0.000	0.000	0.000
671	A	746	ARG	1	0.809	0.905	56.748	0.042	0.042	0.000	0.000	0.000	0.000
672	A	747	CYS	0	-0.029	-0.009	60.553	0.002	0.002	0.000	0.000	0.000	0.000
673	A	748	CYS	0	0.039	0.019	58.301	-0.003	-0.003	0.000	0.000	0.000	0.000
674	A	749	ALA	0	0.105	0.053	56.092	0.002	0.002	0.000	0.000	0.000	0.000
675	A	750	PRO	0	0.060	0.030	57.599	0.002	0.002	0.000	0.000	0.000	0.000
676	A	751	THR	0	0.053	0.006	60.145	0.001	0.001	0.000	0.000	0.000	0.000
677	A	752	LEU	0	-0.024	0.023	59.285	0.002	0.002	0.000	0.000	0.000	0.000
678	A	753	GLU	-1	-0.809	-0.921	58.858	-0.035	-0.035	0.000	0.000	0.000	0.000
679	A	754	ILE	0	-0.025	0.011	62.048	0.001	0.001	0.000	0.000	0.000	0.000
680	A	755	SER	0	-0.005	-0.046	65.241	0.002	0.002	0.000	0.000	0.000	0.000
681	A	756	LYS	1	0.848	0.930	60.841	0.034	0.034	0.000	0.000	0.000	0.000
682	A	757	THR	0	-0.044	-0.049	64.760	0.001	0.001	0.000	0.000	0.000	0.000
683	A	758	ALA	0	0.033	0.025	66.835	0.001	0.001	0.000	0.000	0.000	0.000
684	A	759	ILE	0	0.036	0.001	68.662	0.001	0.001	0.000	0.000	0.000	0.000
685	A	760	VAL	0	-0.094	-0.062	66.480	0.001	0.001	0.000	0.000	0.000	0.000
686	A	761	MET	0	-0.050	-0.010	69.873	0.001	0.001	0.000	0.000	0.000	0.000
687	A	762	PHE	0	0.069	0.022	72.015	0.001	0.001	0.000	0.000	0.000	0.000
688	A	763	PHE	0	-0.043	-0.030	73.709	0.001	0.001	0.000	0.000	0.000	0.000
689	A	764	LYS	1	0.910	0.966	72.376	0.020	0.020	0.000	0.000	0.000	0.000
690	A	765	ASP	-1	-0.852	-0.930	77.503	-0.015	-0.015	0.000	0.000	0.000	0.000
691	A	766	GLU	-1	-0.855	-0.928	80.792	-0.020	-0.020	0.000	0.000	0.000	0.000
692	A	767	GLY	0	-0.009	-0.001	82.968	-0.001	-0.001	0.000	0.000	0.000	0.000
693	A	768	CYS	0	0.031	0.021	77.737	-0.001	-0.001	0.000	0.000	0.000	0.000
694	A	769	LYS	1	0.796	0.892	77.779	0.015	0.015	0.000	0.000	0.000	0.000
695	A	770	PRO	0	0.016	0.007	77.971	0.000	0.000	0.000	0.000	0.000	0.000
696	A	771	LEU	0	0.029	0.026	77.259	0.000	0.000	0.000	0.000	0.000	0.000
697	A	772	MET	0	-0.009	0.008	73.665	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	773	GLN	0	-0.044	-0.027	73.344	0.000	0.000	0.000	0.000	0.000	0.000
699	A	774	GLN	0	-0.004	0.005	74.332	0.000	0.000	0.000	0.000	0.000	0.000
700	A	775	LEU	0	0.026	0.014	69.979	0.000	0.000	0.000	0.000	0.000	0.000
701	A	776	LEU	0	0.011	0.007	69.360	-0.001	-0.001	0.000	0.000	0.000	0.000
702	A	777	ARG	1	0.896	0.937	69.708	0.014	0.014	0.000	0.000	0.000	0.000
703	A	778	GLU	-1	-0.905	-0.954	70.558	-0.019	-0.019	0.000	0.000	0.000	0.000
704	A	779	PHE	0	-0.028	-0.007	63.327	0.000	0.000	0.000	0.000	0.000	0.000
705	A	780	ILE	0	-0.021	0.000	65.702	0.000	0.000	0.000	0.000	0.000	0.000
706	A	781	GLN	0	-0.035	-0.018	65.896	-0.001	-0.001	0.000	0.000	0.000	0.000
707	A	782	HIS	0	0.093	0.034	65.555	0.000	0.000	0.000	0.000	0.000	0.000
708	A	783	SER	0	0.014	-0.002	61.963	-0.001	-0.001	0.000	0.000	0.000	0.000
709	A	784	PHE	0	-0.067	-0.033	61.846	0.001	0.001	0.000	0.000	0.000	0.000
710	A	785	LYS	1	0.889	0.950	62.979	0.021	0.021	0.000	0.000	0.000	0.000
711	A	786	LEU	0	0.007	0.004	57.705	0.000	0.000	0.000	0.000	0.000	0.000
712	A	787	PHE	0	-0.013	-0.010	57.556	0.000	0.000	0.000	0.000	0.000	0.000
713	A	788	GLU	-1	-0.905	-0.931	58.899	-0.010	-0.010	0.000	0.000	0.000	0.000
714	A	789	SER	0	-0.071	-0.024	56.501	0.000	0.000	0.000	0.000	0.000	0.000
715	A	790	THR	0	-0.024	-0.040	53.352	0.000	0.000	0.000	0.000	0.000	0.000
716	A	791	PRO	0	0.003	-0.020	53.359	-0.002	-0.002	0.000	0.000	0.000	0.000
717	A	792	GLU	-1	-0.831	-0.897	49.249	-0.010	-0.010	0.000	0.000	0.000	0.000
718	A	793	GLN	0	0.001	0.001	46.902	-0.004	-0.004	0.000	0.000	0.000	0.000
719	A	794	ASN	0	0.034	0.013	49.670	-0.001	-0.001	0.000	0.000	0.000	0.000
720	A	795	PHE	0	-0.033	-0.017	45.973	-0.002	-0.002	0.000	0.000	0.000	0.000
721	A	796	SER	0	-0.011	0.002	45.798	-0.002	-0.002	0.000	0.000	0.000	0.000
722	A	797	ASN	0	-0.033	-0.017	47.807	-0.001	-0.001	0.000	0.000	0.000	0.000
723	A	798	ILE	0	-0.027	-0.012	49.377	-0.002	-0.002	0.000	0.000	0.000	0.000
724	A	799	SER	0	0.011	0.010	47.630	0.001	0.001	0.000	0.000	0.000	0.000
725	A	800	ASP	-1	-0.788	-0.886	50.069	-0.041	-0.041	0.000	0.000	0.000	0.000
726	A	801	THR	0	-0.010	0.001	51.482	0.001	0.001	0.000	0.000	0.000	0.000
727	A	802	MET	0	-0.037	0.002	53.320	0.003	0.003	0.000	0.000	0.000	0.000
728	A	803	GLU	-1	-0.919	-0.962	50.765	-0.038	-0.038	0.000	0.000	0.000	0.000
729	A	804	THR	0	0.010	-0.002	53.775	0.001	0.001	0.000	0.000	0.000	0.000
730	A	805	PHE	0	0.014	0.013	56.273	0.002	0.002	0.000	0.000	0.000	0.000
731	A	806	PHE	0	0.056	0.018	56.030	0.001	0.001	0.000	0.000	0.000	0.000
732	A	807	GLY	0	0.040	0.075	57.328	0.002	0.002	0.000	0.000	0.000	0.000
733	A	808	CYS	0	-0.046	-0.020	58.023	0.001	0.001	0.000	0.000	0.000	0.000
734	A	809	LEU	0	0.027	0.001	61.273	0.001	0.001	0.000	0.000	0.000	0.000
735	A	810	THR	0	-0.068	-0.088	59.329	0.002	0.002	0.000	0.000	0.000	0.000
736	A	811	GLN	0	0.006	0.003	61.369	0.000	0.000	0.000	0.000	0.000	0.000
737	A	812	ILE	0	-0.003	0.009	63.041	0.000	0.000	0.000	0.000	0.000	0.000
738	A	813	ILE	0	-0.004	0.016	65.144	0.001	0.001	0.000	0.000	0.000	0.000
739	A	814	LYS	1	0.805	0.900	63.657	0.014	0.014	0.000	0.000	0.000	0.000
740	A	815	LYS	1	0.933	0.974	66.151	0.024	0.024	0.000	0.000	0.000	0.000
741	A	816	ILE	0	-0.052	-0.024	68.573	0.000	0.000	0.000	0.000	0.000	0.000
742	A	817	PRO	0	0.038	0.016	71.026	0.000	0.000	0.000	0.000	0.000	0.000
743	A	818	GLN	0	0.040	0.006	72.462	0.000	0.000	0.000	0.000	0.000	0.000
744	A	819	VAL	0	0.017	0.019	70.124	0.000	0.000	0.000	0.000	0.000	0.000
745	A	820	LEU	0	-0.017	-0.019	68.671	0.000	0.000	0.000	0.000	0.000	0.000
746	A	821	GLU	-1	-0.856	-0.902	72.648	-0.005	-0.005	0.000	0.000	0.000	0.000
747	A	822	ASP	-1	-0.768	-0.854	74.589	-0.011	-0.011	0.000	0.000	0.000	0.000
748	A	823	LYS	1	0.833	0.934	74.784	0.006	0.006	0.000	0.000	0.000	0.000
749	A	824	THR	0	-0.048	-0.035	75.780	0.001	0.001	0.000	0.000	0.000	0.000
750	A	825	LEU	0	-0.037	-0.017	70.121	0.000	0.000	0.000	0.000	0.000	0.000
751	A	826	ALA	0	0.002	0.007	68.972	0.001	0.001	0.000	0.000	0.000	0.000
752	A	827	TYR	0	-0.016	-0.068	67.762	-0.001	-0.001	0.000	0.000	0.000	0.000
753	A	828	ASP	-1	-0.823	-0.909	66.198	-0.002	-0.002	0.000	0.000	0.000	0.000
754	A	829	ARG	1	0.853	0.923	64.701	0.009	0.009	0.000	0.000	0.000	0.000
755	A	830	LEU	0	-0.007	0.008	62.513	0.000	0.000	0.000	0.000	0.000	0.000
756	A	831	VAL	0	0.041	0.021	61.524	-0.001	-0.001	0.000	0.000	0.000	0.000
757	A	832	PHE	0	-0.021	-0.001	59.138	0.000	0.000	0.000	0.000	0.000	0.000
758	A	833	TYR	0	0.019	-0.012	58.409	0.001	0.001	0.000	0.000	0.000	0.000
759	A	834	ALA	0	0.035	0.026	57.004	-0.001	-0.001	0.000	0.000	0.000	0.000
760	A	835	GLN	0	-0.052	-0.040	55.808	0.001	0.001	0.000	0.000	0.000	0.000
761	A	836	ARG	1	0.961	0.977	54.130	0.009	0.009	0.000	0.000	0.000	0.000
762	A	837	GLY	0	0.055	0.020	52.615	-0.001	-0.001	0.000	0.000	0.000	0.000
763	A	838	MET	0	-0.136	-0.068	51.441	-0.001	-0.001	0.000	0.000	0.000	0.000
764	A	839	THR	0	-0.035	-0.015	48.665	0.002	0.002	0.000	0.000	0.000	0.000
765	A	840	LEU	0	-0.033	0.000	47.601	0.001	0.001	0.000	0.000	0.000	0.000
766	A	841	PRO	0	0.005	0.010	42.852	0.002	0.002	0.000	0.000	0.000	0.000
767	A	842	GLU	-1	-0.839	-0.936	44.115	-0.033	-0.033	0.000	0.000	0.000	0.000
768	A	843	SER	0	-0.042	-0.044	44.203	0.002	0.002	0.000	0.000	0.000	0.000
769	A	844	GLY	0	0.066	0.035	46.121	0.003	0.003	0.000	0.000	0.000	0.000
770	A	845	ALA	0	0.058	0.028	49.228	0.002	0.002	0.000	0.000	0.000	0.000
771	A	846	ILE	0	0.000	0.021	46.152	0.003	0.003	0.000	0.000	0.000	0.000
772	A	847	ARG	1	0.811	0.896	49.860	0.018	0.018	0.000	0.000	0.000	0.000
773	A	848	ASN	0	0.005	-0.029	51.571	0.003	0.003	0.000	0.000	0.000	0.000
774	A	849	SER	0	0.024	0.019	53.905	0.002	0.002	0.000	0.000	0.000	0.000
775	A	850	ILE	0	-0.031	-0.009	51.141	0.002	0.002	0.000	0.000	0.000	0.000
776	A	851	GLN	0	-0.041	-0.020	55.178	0.004	0.004	0.000	0.000	0.000	0.000
777	A	852	PHE	0	0.053	0.025	57.214	0.001	0.001	0.000	0.000	0.000	0.000
778	A	853	LEU	0	0.036	0.009	57.329	0.001	0.001	0.000	0.000	0.000	0.000
779	A	854	THR	0	-0.053	-0.027	57.853	0.002	0.002	0.000	0.000	0.000	0.000
780	A	855	HIS	0	0.002	-0.027	60.509	0.001	0.001	0.000	0.000	0.000	0.000
781	A	856	PHE	0	0.030	0.029	63.060	0.000	0.000	0.000	0.000	0.000	0.000
782	A	857	VAL	0	0.069	0.033	62.541	0.001	0.001	0.000	0.000	0.000	0.000
783	A	858	MET	0	-0.122	-0.057	63.738	0.002	0.002	0.000	0.000	0.000	0.000
784	A	859	GLN	0	0.007	-0.010	66.489	0.000	0.000	0.000	0.000	0.000	0.000
785	A	860	SER	0	0.016	0.003	67.965	0.000	0.000	0.000	0.000	0.000	0.000
786	A	861	ARG	1	0.879	0.940	70.081	-0.003	-0.003	0.000	0.000	0.000	0.000
787	A	862	ASN	0	-0.036	-0.016	71.886	0.001	0.001	0.000	0.000	0.000	0.000
788	A	863	HIS	0	0.024	0.025	73.486	0.000	0.000	0.000	0.000	0.000	0.000
789	A	864	ALA	0	0.061	0.020	74.275	0.000	0.000	0.000	0.000	0.000	0.000
790	A	865	HIS	0	0.032	0.011	73.270	0.001	0.001	0.000	0.000	0.000	0.000
791	A	866	VAL	0	0.018	0.018	69.472	0.000	0.000	0.000	0.000	0.000	0.000
792	A	867	THR	0	0.012	0.013	70.503	0.001	0.001	0.000	0.000	0.000	0.000
793	A	868	GLU	-1	-0.903	-0.938	71.277	0.005	0.005	0.000	0.000	0.000	0.000
794	A	869	VAL	0	0.020	0.005	67.347	0.001	0.001	0.000	0.000	0.000	0.000
795	A	870	VAL	0	-0.048	-0.022	65.994	0.001	0.001	0.000	0.000	0.000	0.000
796	A	871	LEU	0	-0.037	-0.027	66.497	0.001	0.001	0.000	0.000	0.000	0.000
797	A	872	ALA	0	-0.002	0.012	67.855	0.001	0.001	0.000	0.000	0.000	0.000
798	A	873	THR	0	-0.037	-0.025	63.371	0.001	0.001	0.000	0.000	0.000	0.000
799	A	874	GLY	0	0.038	0.019	62.554	0.000	0.000	0.000	0.000	0.000	0.000
800	A	875	GLU	-1	-0.881	-0.953	60.764	0.019	0.019	0.000	0.000	0.000	0.000
801	A	876	GLN	0	0.024	-0.007	59.466	0.000	0.000	0.000	0.000	0.000	0.000
802	A	877	THR	0	0.020	0.019	57.834	0.000	0.000	0.000	0.000	0.000	0.000
803	A	878	LEU	0	-0.028	-0.025	56.712	0.000	0.000	0.000	0.000	0.000	0.000
804	A	879	TYR	0	0.025	0.017	52.828	0.002	0.002	0.000	0.000	0.000	0.000
805	A	880	THR	0	0.006	0.001	53.056	0.001	0.001	0.000	0.000	0.000	0.000
806	A	881	ALA	0	-0.016	-0.006	52.021	0.000	0.000	0.000	0.000	0.000	0.000
807	A	882	MET	0	-0.010	-0.021	50.961	0.001	0.001	0.000	0.000	0.000	0.000
808	A	883	MET	0	0.013	0.034	49.349	0.004	0.004	0.000	0.000	0.000	0.000
809	A	884	CYS	0	-0.061	-0.011	47.584	0.001	0.001	0.000	0.000	0.000	0.000
810	A	885	VAL	0	-0.025	-0.018	46.279	0.000	0.000	0.000	0.000	0.000	0.000
811	A	886	GLY	0	-0.026	-0.009	45.189	0.003	0.003	0.000	0.000	0.000	0.000
812	A	887	TYR	0	-0.004	-0.043	42.935	0.004	0.004	0.000	0.000	0.000	0.000
813	A	888	LEU	0	0.009	0.018	42.894	-0.002	-0.002	0.000	0.000	0.000	0.000
814	A	889	THR	0	0.021	0.039	44.137	-0.004	-0.004	0.000	0.000	0.000	0.000
815	A	890	PRO	0	0.043	0.016	39.891	0.006	0.006	0.000	0.000	0.000	0.000
816	A	891	ARG	1	0.975	0.979	38.189	-0.023	-0.023	0.000	0.000	0.000	0.000
817	A	892	SER	0	0.021	0.018	38.694	0.003	0.003	0.000	0.000	0.000	0.000
818	A	893	GLN	0	0.008	-0.009	40.663	-0.005	-0.005	0.000	0.000	0.000	0.000
819	A	894	VAL	0	0.042	0.029	43.381	0.000	0.000	0.000	0.000	0.000	0.000
820	A	895	ASP	-1	-0.905	-0.961	44.467	-0.002	-0.002	0.000	0.000	0.000	0.000
821	A	896	LYS	1	0.865	0.945	44.301	0.016	0.016	0.000	0.000	0.000	0.000
822	A	897	PHE	0	0.074	0.016	47.335	0.000	0.000	0.000	0.000	0.000	0.000
823	A	898	ALA	0	0.016	0.007	51.320	0.001	0.001	0.000	0.000	0.000	0.000
824	A	899	ASP	-1	-0.771	-0.859	53.131	-0.006	-0.006	0.000	0.000	0.000	0.000
825	A	900	ILE	0	0.064	0.028	55.072	0.000	0.000	0.000	0.000	0.000	0.000
826	A	901	LEU	0	0.012	0.018	53.470	0.001	0.001	0.000	0.000	0.000	0.000
827	A	902	LEU	0	0.041	0.021	56.142	0.001	0.001	0.000	0.000	0.000	0.000
828	A	903	ALA	0	-0.062	-0.018	59.333	0.000	0.000	0.000	0.000	0.000	0.000
829	A	904	MET	0	0.037	0.017	60.277	0.000	0.000	0.000	0.000	0.000	0.000
830	A	905	ASN	0	0.041	0.032	61.259	0.000	0.000	0.000	0.000	0.000	0.000
831	A	906	ARG	1	0.822	0.871	60.048	0.001	0.001	0.000	0.000	0.000	0.000
832	A	907	LYS	1	0.863	0.948	65.496	0.001	0.001	0.000	0.000	0.000	0.000
833	A	908	TYR	0	0.023	-0.002	66.204	0.000	0.000	0.000	0.000	0.000	0.000
834	A	909	ALA	0	0.006	0.012	65.115	0.001	0.001	0.000	0.000	0.000	0.000
835	A	910	ALA	0	0.011	0.013	65.337	0.001	0.001	0.000	0.000	0.000	0.000
836	A	911	GLU	-1	-0.839	-0.922	66.170	0.013	0.013	0.000	0.000	0.000	0.000
837	A	912	MET	0	-0.035	0.006	59.783	0.001	0.001	0.000	0.000	0.000	0.000
838	A	913	ALA	0	-0.030	-0.014	61.628	0.002	0.002	0.000	0.000	0.000	0.000
839	A	914	VAL	0	0.031	0.002	62.409	0.002	0.002	0.000	0.000	0.000	0.000
840	A	915	TRP	0	0.044	0.048	61.566	0.001	0.001	0.000	0.000	0.000	0.000
841	A	916	MET	0	-0.012	0.000	55.280	0.001	0.001	0.000	0.000	0.000	0.000
842	A	917	LYS	1	0.926	0.974	58.082	-0.030	-0.030	0.000	0.000	0.000	0.000
843	A	918	SER	0	0.025	0.007	59.377	0.003	0.003	0.000	0.000	0.000	0.000
844	A	919	LEU	0	-0.006	0.011	56.862	0.002	0.002	0.000	0.000	0.000	0.000
845	A	920	MET	0	-0.072	-0.015	52.280	0.001	0.001	0.000	0.000	0.000	0.000
846	A	921	SER	0	-0.107	-0.083	54.683	0.003	0.003	0.000	0.000	0.000	0.000
847	A	922	THR	0	-0.038	-0.023	56.792	0.002	0.002	0.000	0.000	0.000	0.000
848	A	923	PRO	0	-0.026	0.013	53.484	0.001	0.001	0.000	0.000	0.000	0.000
849	A	924	ASN	0	0.004	-0.010	52.229	0.000	0.000	0.000	0.000	0.000	0.000
850	A	925	PHE	0	0.003	-0.028	48.019	0.004	0.004	0.000	0.000	0.000	0.000
851	A	926	PRO	0	-0.016	0.016	49.184	-0.002	-0.002	0.000	0.000	0.000	0.000
852	A	927	THR	0	0.004	0.003	43.503	-0.001	-0.001	0.000	0.000	0.000	0.000
853	A	928	GLN	0	-0.013	-0.008	43.507	0.001	0.001	0.000	0.000	0.000	0.000
854	A	929	LEU	0	0.008	0.023	38.995	0.003	0.003	0.000	0.000	0.000	0.000
855	A	930	ILE	0	-0.043	-0.005	42.431	0.003	0.003	0.000	0.000	0.000	0.000
856	A	931	THR	0	0.029	0.013	44.712	0.001	0.001	0.000	0.000	0.000	0.000
857	A	932	ASP	-1	-0.776	-0.887	46.641	0.056	0.056	0.000	0.000	0.000	0.000
858	A	933	ALA	0	0.004	0.003	49.673	-0.004	-0.004	0.000	0.000	0.000	0.000
859	A	934	ASP	-1	-0.808	-0.916	45.581	0.065	0.065	0.000	0.000	0.000	0.000
860	A	935	LYS	1	0.929	0.970	48.886	-0.054	-0.054	0.000	0.000	0.000	0.000
861	A	936	THR	0	-0.015	0.007	50.166	-0.005	-0.005	0.000	0.000	0.000	0.000
862	A	937	ARG	1	0.849	0.924	46.615	-0.060	-0.060	0.000	0.000	0.000	0.000
863	A	938	TYR	0	-0.003	-0.018	45.732	-0.001	-0.001	0.000	0.000	0.000	0.000
864	A	939	THR	0	0.009	-0.021	51.676	-0.004	-0.004	0.000	0.000	0.000	0.000
865	A	940	ALA	0	-0.057	-0.032	54.609	-0.003	-0.003	0.000	0.000	0.000	0.000
866	A	941	LEU	0	-0.026	-0.016	51.611	-0.002	-0.002	0.000	0.000	0.000	0.000
867	A	942	ILE	0	-0.030	-0.019	51.866	-0.003	-0.003	0.000	0.000	0.000	0.000
868	A	943	ILE	0	-0.036	-0.022	55.764	-0.002	-0.002	0.000	0.000	0.000	0.000
869	A	944	LYS	1	0.864	0.937	57.165	-0.026	-0.026	0.000	0.000	0.000	0.000
870	A	945	GLU	-1	-0.882	-0.924	55.979	0.017	0.017	0.000	0.000	0.000	0.000
871	A	946	LYS	1	0.945	0.983	59.039	-0.010	-0.010	0.000	0.000	0.000	0.000
872	A	947	VAL	0	-0.028	-0.017	60.235	-0.002	-0.002	0.000	0.000	0.000	0.000
873	A	948	ASN	0	-0.031	-0.014	55.650	-0.004	-0.004	0.000	0.000	0.000	0.000
874	A	949	LYS	1	0.964	0.954	52.091	0.009	0.009	0.000	0.000	0.000	0.000
875	A	950	ARG	1	0.895	0.938	46.395	-0.009	-0.009	0.000	0.000	0.000	0.000
876	A	951	LEU	0	0.040	0.015	50.055	0.001	0.001	0.000	0.000	0.000	0.000
877	A	952	LEU	0	0.052	0.032	50.831	0.003	0.003	0.000	0.000	0.000	0.000
878	A	953	GLN	0	0.000	0.005	47.042	0.000	0.000	0.000	0.000	0.000	0.000
879	A	954	GLN	0	0.036	0.032	44.698	-0.003	-0.003	0.000	0.000	0.000	0.000
880	A	955	HIS	0	-0.005	-0.011	46.327	0.002	0.002	0.000	0.000	0.000	0.000
881	A	956	LEU	0	0.030	0.016	47.664	0.003	0.003	0.000	0.000	0.000	0.000
882	A	957	SER	0	-0.003	0.006	43.300	0.001	0.001	0.000	0.000	0.000	0.000
883	A	958	GLU	-1	-0.883	-0.941	42.806	0.044	0.044	0.000	0.000	0.000	0.000
884	A	959	MET	0	0.018	0.006	43.196	0.005	0.005	0.000	0.000	0.000	0.000
885	A	960	ALA	0	0.018	0.011	43.191	0.004	0.004	0.000	0.000	0.000	0.000
886	A	961	MET	0	-0.046	-0.024	36.946	0.000	0.000	0.000	0.000	0.000	0.000
887	A	962	LYS	1	0.937	0.984	39.671	-0.071	-0.071	0.000	0.000	0.000	0.000
888	A	963	THR	0	-0.064	-0.058	41.673	0.005	0.005	0.000	0.000	0.000	0.000
889	A	964	ARG	1	0.854	0.916	38.698	-0.023	-0.023	0.000	0.000	0.000	0.000
890	A	965	GLY	0	-0.005	0.014	38.058	0.004	0.004	0.000	0.000	0.000	0.000
891	A	966	LEU	0	-0.070	-0.030	34.612	0.006	0.006	0.000	0.000	0.000	0.000
892	A	967	THR	0	0.006	0.007	30.661	-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:54:GLN)