FMO DATABASE

FMODB ID: G59Z1

Calculation Name: 4I2Z-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4I2Z

Chain ID: A

ChEMBL ID:

UniProt ID: Q18688

Base Structure: X-ray

Registration Date: 2023-09-24

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	899
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-24301079.313859
FMO2-HF: Nuclear repulsion	23944341.128822
FMO2-HF: Total energy	-356738.185037
FMO2-MP2: Total energy	-357768.227665

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:5:VAL)

Summations of interaction energy for fragment #1(A:5:VAL)

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.
-5.277	-3.38	0.739	-0.44	-2.196	-0.001

Interaction energy analysis for fragmet #1(A:5:VAL)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.015 / q_NPA : -0.016

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	7	THR	0	-0.060	-0.021	2.901	-0.231	1.622	0.728	-0.469	-2.112	-0.001
4	A	8	ALA	0	0.109	0.034	3.682	0.345	0.389	0.011	0.029	-0.084	0.000
5	A	9	GLU	-1	-0.930	-0.985	6.835	-0.728	-0.728	0.000	0.000	0.000	0.000
6	A	10	GLU	-1	-0.898	-0.945	5.371	-3.226	-3.226	0.000	0.000	0.000	0.000
7	A	11	ILE	0	0.034	0.060	7.311	0.202	0.202	0.000	0.000	0.000	0.000
8	A	12	ARG	1	0.901	0.933	9.157	0.956	0.956	0.000	0.000	0.000	0.000
9	A	13	ASP	-1	-0.950	-0.961	12.163	-0.807	-0.807	0.000	0.000	0.000	0.000
10	A	14	GLU	-1	-0.923	-0.962	10.382	-1.372	-1.372	0.000	0.000	0.000	0.000
11	A	15	GLY	0	0.038	0.016	13.567	0.107	0.107	0.000	0.000	0.000	0.000
12	A	16	ASN	0	-0.083	-0.046	15.713	0.049	0.049	0.000	0.000	0.000	0.000
13	A	17	ALA	0	-0.018	-0.010	17.238	0.072	0.072	0.000	0.000	0.000	0.000
14	A	18	ALA	0	0.101	0.053	17.741	0.051	0.051	0.000	0.000	0.000	0.000
15	A	19	VAL	0	-0.105	-0.055	19.598	0.058	0.058	0.000	0.000	0.000	0.000
16	A	20	LYS	1	0.862	0.927	20.408	0.459	0.459	0.000	0.000	0.000	0.000
17	A	21	ASP	-1	-0.883	-0.919	21.475	-0.397	-0.397	0.000	0.000	0.000	0.000
18	A	22	GLN	0	-0.127	-0.074	23.985	0.032	0.032	0.000	0.000	0.000	0.000
19	A	23	ASP	-1	-0.887	-0.927	22.441	-0.270	-0.270	0.000	0.000	0.000	0.000
20	A	24	TYR	0	0.018	-0.039	22.013	-0.025	-0.025	0.000	0.000	0.000	0.000
21	A	25	ILE	0	0.024	0.019	21.944	-0.009	-0.009	0.000	0.000	0.000	0.000
22	A	26	LYS	1	1.031	1.016	18.009	0.459	0.459	0.000	0.000	0.000	0.000
23	A	27	ALA	0	0.018	0.028	17.473	-0.044	-0.044	0.000	0.000	0.000	0.000
24	A	28	ASP	-1	-0.821	-0.893	17.457	-0.300	-0.300	0.000	0.000	0.000	0.000
25	A	29	GLU	-1	-0.908	-0.963	16.395	-0.323	-0.323	0.000	0.000	0.000	0.000
26	A	30	LEU	0	0.011	0.016	12.901	-0.012	-0.012	0.000	0.000	0.000	0.000
27	A	31	TYR	0	0.014	-0.030	12.896	-0.058	-0.058	0.000	0.000	0.000	0.000
28	A	32	THR	0	-0.038	-0.025	14.081	0.005	0.005	0.000	0.000	0.000	0.000
29	A	33	GLU	-1	-0.970	-0.993	9.545	-0.793	-0.793	0.000	0.000	0.000	0.000
30	A	34	ALA	0	0.001	-0.021	9.576	-0.052	-0.052	0.000	0.000	0.000	0.000
31	A	35	LEU	0	-0.059	-0.051	9.938	-0.018	-0.018	0.000	0.000	0.000	0.000
32	A	36	GLN	0	-0.073	-0.029	10.627	0.029	0.029	0.000	0.000	0.000	0.000
33	A	37	LEU	0	-0.017	0.001	5.379	0.111	0.111	0.000	0.000	0.000	0.000
34	A	38	THR	0	-0.102	-0.048	8.079	0.099	0.099	0.000	0.000	0.000	0.000
35	A	39	THR	0	-0.034	-0.031	10.125	0.088	0.088	0.000	0.000	0.000	0.000
36	A	40	ASP	-1	-1.063	-1.046	13.333	-0.080	-0.080	0.000	0.000	0.000	0.000
37	A	41	GLU	-1	-0.812	-0.911	11.199	-0.191	-0.191	0.000	0.000	0.000	0.000
38	A	42	ASP	-1	-0.771	-0.838	10.321	-0.517	-0.517	0.000	0.000	0.000	0.000
39	A	43	LYS	1	0.855	0.904	13.643	0.119	0.119	0.000	0.000	0.000	0.000
40	A	44	ALA	0	0.042	0.016	16.885	-0.013	-0.013	0.000	0.000	0.000	0.000
41	A	45	LEU	0	0.031	0.019	10.331	0.026	0.026	0.000	0.000	0.000	0.000
42	A	46	ARG	1	1.016	1.009	14.765	0.193	0.193	0.000	0.000	0.000	0.000
43	A	47	PRO	0	-0.027	-0.005	16.149	-0.007	-0.007	0.000	0.000	0.000	0.000
44	A	48	VAL	0	-0.052	-0.013	16.118	0.020	0.020	0.000	0.000	0.000	0.000
45	A	49	LEU	0	0.107	0.050	12.428	0.013	0.013	0.000	0.000	0.000	0.000
46	A	50	TYR	0	-0.106	-0.047	17.003	0.006	0.006	0.000	0.000	0.000	0.000
47	A	51	ARG	1	0.839	0.913	20.015	0.284	0.284	0.000	0.000	0.000	0.000
48	A	52	ASN	0	-0.077	-0.043	18.396	-0.010	-0.010	0.000	0.000	0.000	0.000
49	A	53	ARG	1	0.890	0.942	18.014	0.302	0.302	0.000	0.000	0.000	0.000
50	A	54	ALA	0	0.032	0.014	20.389	0.020	0.020	0.000	0.000	0.000	0.000
51	A	55	MET	0	-0.071	-0.047	23.583	0.020	0.020	0.000	0.000	0.000	0.000
52	A	56	ALA	0	0.031	0.023	21.695	0.012	0.012	0.000	0.000	0.000	0.000
53	A	57	ARG	1	0.810	0.903	22.046	0.247	0.247	0.000	0.000	0.000	0.000
54	A	58	LEU	0	-0.043	-0.019	25.442	0.015	0.015	0.000	0.000	0.000	0.000
55	A	59	LYS	1	0.897	0.949	26.749	0.206	0.206	0.000	0.000	0.000	0.000
56	A	60	ARG	1	0.814	0.930	23.224	0.225	0.225	0.000	0.000	0.000	0.000
57	A	61	ASP	-1	-0.900	-0.959	28.490	-0.133	-0.133	0.000	0.000	0.000	0.000
58	A	62	ASP	-1	-0.807	-0.871	25.971	-0.151	-0.151	0.000	0.000	0.000	0.000
59	A	63	PHE	0	0.066	0.004	28.339	-0.011	-0.011	0.000	0.000	0.000	0.000
60	A	64	GLU	-1	-0.819	-0.924	30.071	-0.093	-0.093	0.000	0.000	0.000	0.000
61	A	65	GLY	0	-0.021	-0.013	26.365	0.002	0.002	0.000	0.000	0.000	0.000
62	A	66	ALA	0	-0.018	-0.010	25.940	-0.009	-0.009	0.000	0.000	0.000	0.000
63	A	67	GLN	0	0.012	-0.014	26.879	-0.005	-0.005	0.000	0.000	0.000	0.000
64	A	68	SER	0	-0.010	-0.013	24.692	0.005	0.005	0.000	0.000	0.000	0.000
65	A	69	ASP	-1	-0.752	-0.889	21.830	-0.233	-0.233	0.000	0.000	0.000	0.000
66	A	70	CYS	0	-0.052	-0.004	24.032	-0.009	-0.009	0.000	0.000	0.000	0.000
67	A	71	THR	0	-0.083	-0.044	26.337	0.003	0.003	0.000	0.000	0.000	0.000
68	A	72	LYS	1	0.965	0.995	21.843	0.162	0.162	0.000	0.000	0.000	0.000
69	A	73	ALA	0	-0.012	-0.002	22.962	-0.005	-0.005	0.000	0.000	0.000	0.000
70	A	74	LEU	0	-0.094	-0.051	23.963	0.004	0.004	0.000	0.000	0.000	0.000
71	A	75	GLU	-1	-0.966	-0.959	24.846	-0.103	-0.103	0.000	0.000	0.000	0.000
72	A	76	PHE	0	-0.081	-0.024	21.099	0.005	0.005	0.000	0.000	0.000	0.000
73	A	77	ASP	-1	-0.855	-0.936	24.886	-0.151	-0.151	0.000	0.000	0.000	0.000
74	A	78	GLY	0	-0.006	-0.007	27.034	-0.005	-0.005	0.000	0.000	0.000	0.000
75	A	79	ALA	0	0.014	0.004	29.748	0.004	0.004	0.000	0.000	0.000	0.000
76	A	80	ASP	-1	-0.778	-0.903	24.497	-0.229	-0.229	0.000	0.000	0.000	0.000
77	A	81	VAL	0	0.056	0.031	27.940	-0.002	-0.002	0.000	0.000	0.000	0.000
78	A	82	LYS	1	0.896	0.941	25.347	0.236	0.236	0.000	0.000	0.000	0.000
79	A	83	ALA	0	-0.012	0.014	26.409	0.000	0.000	0.000	0.000	0.000	0.000
80	A	84	LEU	0	0.028	0.001	27.744	0.006	0.006	0.000	0.000	0.000	0.000
81	A	85	PHE	0	0.021	0.024	30.808	0.006	0.006	0.000	0.000	0.000	0.000
82	A	86	ARG	1	0.914	0.977	24.216	0.251	0.251	0.000	0.000	0.000	0.000
83	A	87	ARG	1	0.887	0.929	30.055	0.125	0.125	0.000	0.000	0.000	0.000
84	A	88	SER	0	-0.045	-0.049	31.229	0.010	0.010	0.000	0.000	0.000	0.000
85	A	89	LEU	0	0.030	0.006	32.801	0.006	0.006	0.000	0.000	0.000	0.000
86	A	90	ALA	0	-0.022	0.003	30.999	0.003	0.003	0.000	0.000	0.000	0.000
87	A	91	ARG	1	0.894	0.943	33.079	0.109	0.109	0.000	0.000	0.000	0.000
88	A	92	GLU	-1	-0.922	-0.979	35.928	-0.094	-0.094	0.000	0.000	0.000	0.000
89	A	93	GLN	0	-0.004	0.013	34.896	0.009	0.009	0.000	0.000	0.000	0.000
90	A	94	LEU	0	-0.065	-0.003	33.459	0.005	0.005	0.000	0.000	0.000	0.000
91	A	95	GLY	0	0.032	0.016	37.633	0.006	0.006	0.000	0.000	0.000	0.000
92	A	96	ASN	0	-0.070	-0.040	38.637	0.005	0.005	0.000	0.000	0.000	0.000
93	A	97	VAL	0	0.094	0.015	40.112	-0.002	-0.002	0.000	0.000	0.000	0.000
94	A	98	GLY	0	0.007	0.002	42.000	0.000	0.000	0.000	0.000	0.000	0.000
95	A	99	PRO	0	-0.058	-0.028	38.639	-0.002	-0.002	0.000	0.000	0.000	0.000
96	A	100	ALA	0	0.053	0.042	37.665	-0.005	-0.005	0.000	0.000	0.000	0.000
97	A	101	PHE	0	0.044	0.015	38.315	-0.006	-0.006	0.000	0.000	0.000	0.000
98	A	102	GLN	0	-0.094	-0.068	40.117	-0.004	-0.004	0.000	0.000	0.000	0.000
99	A	103	ASP	-1	-0.757	-0.869	34.599	-0.110	-0.110	0.000	0.000	0.000	0.000
100	A	104	ALA	0	0.033	0.003	36.267	-0.006	-0.006	0.000	0.000	0.000	0.000
101	A	105	LYS	1	0.910	0.966	37.635	0.080	0.080	0.000	0.000	0.000	0.000
102	A	106	GLU	-1	-0.968	-1.013	36.249	-0.100	-0.100	0.000	0.000	0.000	0.000
103	A	107	ALA	0	0.069	0.061	34.794	-0.003	-0.003	0.000	0.000	0.000	0.000
104	A	108	LEU	0	0.055	0.037	35.888	-0.004	-0.004	0.000	0.000	0.000	0.000
105	A	109	ARG	1	0.871	0.935	38.033	0.095	0.095	0.000	0.000	0.000	0.000
106	A	110	LEU	0	-0.046	-0.022	33.479	0.003	0.003	0.000	0.000	0.000	0.000
107	A	111	SER	0	-0.084	-0.037	34.276	-0.008	-0.008	0.000	0.000	0.000	0.000
108	A	112	PRO	0	-0.035	-0.022	36.411	0.000	0.000	0.000	0.000	0.000	0.000
109	A	113	ASN	0	-0.015	-0.002	39.071	0.005	0.005	0.000	0.000	0.000	0.000
110	A	114	ASP	-1	-0.818	-0.928	34.189	-0.160	-0.160	0.000	0.000	0.000	0.000
111	A	115	LYS	1	0.940	0.957	37.632	0.126	0.126	0.000	0.000	0.000	0.000
112	A	116	GLY	0	0.057	0.054	35.745	0.004	0.004	0.000	0.000	0.000	0.000
113	A	117	ILE	0	0.009	0.006	34.550	0.005	0.005	0.000	0.000	0.000	0.000
114	A	118	VAL	0	0.001	-0.011	37.375	0.006	0.006	0.000	0.000	0.000	0.000
115	A	119	GLU	-1	-0.953	-0.964	39.429	-0.113	-0.113	0.000	0.000	0.000	0.000
116	A	120	VAL	0	-0.036	-0.005	36.603	0.003	0.003	0.000	0.000	0.000	0.000
117	A	121	LEU	0	-0.015	-0.008	39.923	0.006	0.006	0.000	0.000	0.000	0.000
118	A	122	GLN	0	-0.004	-0.001	42.313	0.007	0.007	0.000	0.000	0.000	0.000
119	A	123	ARG	1	0.952	0.972	37.763	0.115	0.115	0.000	0.000	0.000	0.000
120	A	124	LEU	0	-0.010	-0.025	39.117	0.004	0.004	0.000	0.000	0.000	0.000
121	A	125	VAL	0	0.014	0.014	43.538	0.004	0.004	0.000	0.000	0.000	0.000
122	A	126	LYS	1	0.891	0.961	46.976	0.067	0.067	0.000	0.000	0.000	0.000
123	A	127	ALA	0	0.063	0.042	45.071	0.002	0.002	0.000	0.000	0.000	0.000
124	A	128	ASN	0	-0.013	-0.042	44.893	0.002	0.002	0.000	0.000	0.000	0.000
125	A	129	ASN	0	-0.027	-0.007	47.993	0.003	0.003	0.000	0.000	0.000	0.000
126	A	130	ASP	-1	-0.876	-0.936	50.625	-0.054	-0.054	0.000	0.000	0.000	0.000
127	A	131	LYS	1	0.888	0.943	46.400	0.064	0.064	0.000	0.000	0.000	0.000
128	A	132	ILE	0	0.003	0.012	49.742	0.001	0.001	0.000	0.000	0.000	0.000
129	A	133	LYS	1	0.950	0.961	52.237	0.047	0.047	0.000	0.000	0.000	0.000
130	A	134	GLN	0	0.047	0.049	49.288	0.002	0.002	0.000	0.000	0.000	0.000
131	A	135	THR	0	-0.021	-0.011	48.657	0.001	0.001	0.000	0.000	0.000	0.000
132	A	136	THR	0	-0.032	-0.029	51.209	0.002	0.002	0.000	0.000	0.000	0.000
133	A	137	SER	0	0.072	0.039	54.352	0.002	0.002	0.000	0.000	0.000	0.000
134	A	138	LEU	0	-0.012	0.010	48.489	0.001	0.001	0.000	0.000	0.000	0.000
135	A	139	ALA	0	-0.019	-0.009	53.045	0.001	0.001	0.000	0.000	0.000	0.000
136	A	140	ASN	0	0.017	0.001	53.818	0.001	0.001	0.000	0.000	0.000	0.000
137	A	141	LYS	1	1.006	1.016	52.547	0.047	0.047	0.000	0.000	0.000	0.000
138	A	142	VAL	0	-0.017	-0.029	51.251	0.001	0.001	0.000	0.000	0.000	0.000
139	A	143	THR	0	0.024	0.015	54.172	0.002	0.002	0.000	0.000	0.000	0.000
140	A	144	ASP	-1	-0.898	-0.945	56.984	-0.028	-0.028	0.000	0.000	0.000	0.000
141	A	145	MET	0	-0.062	-0.033	53.614	0.001	0.001	0.000	0.000	0.000	0.000
142	A	146	GLU	-1	-0.968	-0.985	54.196	-0.028	-0.028	0.000	0.000	0.000	0.000
143	A	147	LYS	1	0.880	0.938	56.490	0.027	0.027	0.000	0.000	0.000	0.000
144	A	148	LEU	0	-0.021	-0.005	60.173	0.001	0.001	0.000	0.000	0.000	0.000
145	A	149	ALA	0	0.008	0.007	56.052	0.001	0.001	0.000	0.000	0.000	0.000
146	A	150	PHE	0	0.051	0.015	51.986	0.001	0.001	0.000	0.000	0.000	0.000
147	A	151	ARG	1	0.922	0.978	57.407	0.023	0.023	0.000	0.000	0.000	0.000
148	A	152	GLY	0	-0.007	-0.026	60.425	0.001	0.001	0.000	0.000	0.000	0.000
149	A	153	GLU	-1	-0.959	-0.949	62.809	-0.021	-0.021	0.000	0.000	0.000	0.000
150	A	154	ALA	0	0.012	0.000	63.307	-0.001	-0.001	0.000	0.000	0.000	0.000
151	A	155	LYS	1	0.894	0.946	65.193	0.016	0.016	0.000	0.000	0.000	0.000
152	A	156	ASP	-1	-0.825	-0.932	66.661	-0.020	-0.020	0.000	0.000	0.000	0.000
153	A	157	THR	0	-0.014	0.000	62.247	-0.001	-0.001	0.000	0.000	0.000	0.000
154	A	158	GLU	-1	-0.897	-0.948	61.818	-0.024	-0.024	0.000	0.000	0.000	0.000
155	A	159	GLN	0	-0.004	0.007	61.201	-0.002	-0.002	0.000	0.000	0.000	0.000
156	A	160	LYS	1	0.891	0.960	58.793	0.017	0.017	0.000	0.000	0.000	0.000
157	A	161	MET	0	-0.013	-0.004	54.886	-0.001	-0.001	0.000	0.000	0.000	0.000
158	A	162	THR	0	0.028	-0.003	56.560	-0.002	-0.002	0.000	0.000	0.000	0.000
159	A	163	ALA	0	-0.041	0.023	56.653	-0.002	-0.002	0.000	0.000	0.000	0.000
160	A	164	LEU	0	0.029	-0.002	52.802	-0.002	-0.002	0.000	0.000	0.000	0.000
161	A	165	ASN	0	-0.004	-0.004	52.484	-0.004	-0.004	0.000	0.000	0.000	0.000
162	A	166	ASN	0	0.012	0.006	52.090	-0.003	-0.003	0.000	0.000	0.000	0.000
163	A	167	LEU	0	-0.004	-0.008	51.389	-0.003	-0.003	0.000	0.000	0.000	0.000
164	A	168	LEU	0	-0.029	-0.004	46.510	-0.002	-0.002	0.000	0.000	0.000	0.000
165	A	169	VAL	0	-0.027	-0.022	47.639	-0.003	-0.003	0.000	0.000	0.000	0.000
166	A	170	LEU	0	-0.026	0.003	48.033	-0.003	-0.003	0.000	0.000	0.000	0.000
167	A	171	CYS	0	-0.096	-0.030	45.442	-0.003	-0.003	0.000	0.000	0.000	0.000
168	A	172	ARG	1	0.967	0.979	42.925	0.047	0.047	0.000	0.000	0.000	0.000
169	A	173	GLU	-1	-1.019	-0.978	43.262	-0.058	-0.058	0.000	0.000	0.000	0.000
170	A	174	SER	0	0.026	0.016	43.054	-0.004	-0.004	0.000	0.000	0.000	0.000
171	A	175	GLU	-1	-0.856	-0.934	37.135	-0.085	-0.085	0.000	0.000	0.000	0.000
172	A	176	SER	0	-0.050	-0.030	41.219	0.002	0.002	0.000	0.000	0.000	0.000
173	A	177	GLY	0	0.003	-0.021	44.237	0.004	0.004	0.000	0.000	0.000	0.000
174	A	178	ALA	0	0.104	0.056	42.035	0.004	0.004	0.000	0.000	0.000	0.000
175	A	179	THR	0	-0.093	-0.068	42.376	0.003	0.003	0.000	0.000	0.000	0.000
176	A	180	GLY	0	-0.042	-0.008	43.999	0.003	0.003	0.000	0.000	0.000	0.000
177	A	181	VAL	0	0.051	0.024	47.085	0.003	0.003	0.000	0.000	0.000	0.000
178	A	182	TRP	0	-0.013	-0.011	42.505	0.002	0.002	0.000	0.000	0.000	0.000
179	A	183	ASN	0	0.018	0.012	46.176	0.002	0.002	0.000	0.000	0.000	0.000
180	A	184	GLN	0	-0.067	-0.053	45.694	0.004	0.004	0.000	0.000	0.000	0.000
181	A	185	GLY	0	0.028	0.021	45.940	0.001	0.001	0.000	0.000	0.000	0.000
182	A	186	ALA	0	-0.053	-0.028	46.538	0.003	0.003	0.000	0.000	0.000	0.000
183	A	187	LEU	0	0.023	0.036	45.932	0.001	0.001	0.000	0.000	0.000	0.000
184	A	188	VAL	0	0.019	0.001	45.072	0.001	0.001	0.000	0.000	0.000	0.000
185	A	189	PRO	0	-0.004	0.006	47.996	0.002	0.002	0.000	0.000	0.000	0.000
186	A	190	PHE	0	0.019	-0.003	51.210	0.002	0.002	0.000	0.000	0.000	0.000
187	A	191	VAL	0	0.056	0.045	47.976	0.001	0.001	0.000	0.000	0.000	0.000
188	A	192	LEU	0	-0.016	-0.020	47.371	0.002	0.002	0.000	0.000	0.000	0.000
189	A	193	ASN	0	-0.126	-0.067	50.913	0.003	0.003	0.000	0.000	0.000	0.000
190	A	194	LEU	0	0.047	0.028	53.272	0.001	0.001	0.000	0.000	0.000	0.000
191	A	195	ILE	0	-0.047	-0.012	48.050	0.001	0.001	0.000	0.000	0.000	0.000
192	A	196	ASN	0	-0.023	-0.024	52.407	0.003	0.003	0.000	0.000	0.000	0.000
193	A	197	ASP	-1	-0.796	-0.835	54.682	-0.009	-0.009	0.000	0.000	0.000	0.000
194	A	198	ALA	0	-0.039	-0.040	57.515	0.000	0.000	0.000	0.000	0.000	0.000
195	A	199	SER	0	-0.102	-0.079	59.072	0.000	0.000	0.000	0.000	0.000	0.000
196	A	200	GLU	-1	-0.844	-0.917	57.287	-0.017	-0.017	0.000	0.000	0.000	0.000
197	A	201	ASN	0	0.052	0.019	57.003	-0.001	-0.001	0.000	0.000	0.000	0.000
198	A	202	GLU	-1	-0.780	-0.912	51.911	-0.015	-0.015	0.000	0.000	0.000	0.000
199	A	203	GLU	-1	-0.854	-0.942	53.081	-0.025	-0.025	0.000	0.000	0.000	0.000
200	A	204	VAL	0	0.003	0.028	53.333	-0.002	-0.002	0.000	0.000	0.000	0.000
201	A	205	THR	0	-0.040	-0.012	50.708	-0.001	-0.001	0.000	0.000	0.000	0.000
202	A	206	VAL	0	0.023	0.008	48.128	-0.002	-0.002	0.000	0.000	0.000	0.000
203	A	207	THR	0	-0.045	-0.059	48.495	-0.003	-0.003	0.000	0.000	0.000	0.000
204	A	208	ALA	0	0.027	0.002	48.964	-0.002	-0.002	0.000	0.000	0.000	0.000
205	A	209	ILE	0	-0.020	-0.012	44.878	-0.001	-0.001	0.000	0.000	0.000	0.000
206	A	210	ARG	1	0.948	0.964	44.585	0.029	0.029	0.000	0.000	0.000	0.000
207	A	211	ILE	0	0.006	0.007	44.633	-0.004	-0.004	0.000	0.000	0.000	0.000
208	A	212	LEU	0	-0.003	-0.019	43.734	-0.003	-0.003	0.000	0.000	0.000	0.000
209	A	213	ASP	-1	-0.887	-0.896	40.272	-0.048	-0.048	0.000	0.000	0.000	0.000
210	A	214	GLU	-1	-0.845	-0.941	40.311	-0.067	-0.067	0.000	0.000	0.000	0.000
211	A	215	THR	0	-0.057	-0.045	40.061	-0.003	-0.003	0.000	0.000	0.000	0.000
212	A	216	ILE	0	-0.035	-0.031	38.288	-0.002	-0.002	0.000	0.000	0.000	0.000
213	A	217	LYS	1	0.917	0.972	35.547	0.069	0.069	0.000	0.000	0.000	0.000
214	A	218	ASN	0	-0.003	0.009	34.240	0.001	0.001	0.000	0.000	0.000	0.000
215	A	219	SER	0	0.076	0.034	30.757	0.007	0.007	0.000	0.000	0.000	0.000
216	A	220	VAL	0	-0.017	-0.006	33.024	0.007	0.007	0.000	0.000	0.000	0.000
217	A	221	ARG	1	0.842	0.920	35.220	0.067	0.067	0.000	0.000	0.000	0.000
218	A	222	CYS	0	-0.025	0.004	35.008	0.008	0.008	0.000	0.000	0.000	0.000
219	A	223	MET	0	0.022	0.023	31.250	0.007	0.007	0.000	0.000	0.000	0.000
220	A	224	LYS	1	0.902	0.962	35.742	0.037	0.037	0.000	0.000	0.000	0.000
221	A	225	PHE	0	0.005	-0.012	39.130	0.004	0.004	0.000	0.000	0.000	0.000
222	A	226	LEU	0	0.005	-0.003	34.885	0.004	0.004	0.000	0.000	0.000	0.000
223	A	227	ALA	0	0.000	-0.010	37.683	0.005	0.005	0.000	0.000	0.000	0.000
224	A	228	MET	0	-0.073	-0.024	39.621	0.001	0.001	0.000	0.000	0.000	0.000
225	A	229	HIS	0	-0.031	-0.016	42.662	0.002	0.002	0.000	0.000	0.000	0.000
226	A	230	ASP	-1	-0.849	-0.938	44.156	0.005	0.005	0.000	0.000	0.000	0.000
227	A	231	PRO	0	-0.056	-0.007	43.570	-0.001	-0.001	0.000	0.000	0.000	0.000
228	A	232	ASP	-1	-0.897	-0.965	42.124	0.014	0.014	0.000	0.000	0.000	0.000
229	A	233	GLY	0	0.036	0.006	38.400	0.000	0.000	0.000	0.000	0.000	0.000
230	A	234	PRO	0	-0.019	-0.011	38.010	-0.001	-0.001	0.000	0.000	0.000	0.000
231	A	235	LYS	1	0.977	0.994	39.089	-0.012	-0.012	0.000	0.000	0.000	0.000
232	A	236	SER	0	-0.009	-0.006	40.557	-0.001	-0.001	0.000	0.000	0.000	0.000
233	A	237	VAL	0	-0.011	-0.006	36.170	-0.003	-0.003	0.000	0.000	0.000	0.000
234	A	238	ARG	1	0.917	0.981	39.301	-0.017	-0.017	0.000	0.000	0.000	0.000
235	A	239	PHE	0	-0.041	-0.020	41.784	-0.001	-0.001	0.000	0.000	0.000	0.000
236	A	240	VAL	0	0.020	0.015	39.639	-0.001	-0.001	0.000	0.000	0.000	0.000
237	A	241	CYS	0	0.019	0.017	38.332	-0.001	-0.001	0.000	0.000	0.000	0.000
238	A	242	ARG	1	0.882	0.927	40.756	-0.014	-0.014	0.000	0.000	0.000	0.000
239	A	243	LEU	0	0.001	0.008	44.119	0.000	0.000	0.000	0.000	0.000	0.000
240	A	244	MET	0	-0.020	-0.004	39.883	0.000	0.000	0.000	0.000	0.000	0.000
241	A	245	CYS	0	-0.069	-0.053	45.413	0.002	0.002	0.000	0.000	0.000	0.000
242	A	246	LYS	1	0.808	0.915	48.081	0.006	0.006	0.000	0.000	0.000	0.000
243	A	247	LYS	1	0.888	0.960	50.083	0.011	0.011	0.000	0.000	0.000	0.000
244	A	248	SER	0	0.008	-0.006	49.999	0.000	0.000	0.000	0.000	0.000	0.000
245	A	249	THR	0	-0.023	0.000	50.825	0.001	0.001	0.000	0.000	0.000	0.000
246	A	250	LYS	1	0.965	0.982	44.197	0.010	0.010	0.000	0.000	0.000	0.000
247	A	251	ASP	-1	-0.845	-0.925	47.448	-0.020	-0.020	0.000	0.000	0.000	0.000
248	A	252	PHE	0	-0.026	-0.001	47.275	-0.002	-0.002	0.000	0.000	0.000	0.000
249	A	253	VAL	0	0.004	0.024	44.118	-0.001	-0.001	0.000	0.000	0.000	0.000
250	A	254	ASP	-1	-0.840	-0.928	42.967	-0.017	-0.017	0.000	0.000	0.000	0.000
251	A	255	ALA	0	-0.079	-0.047	42.440	-0.002	-0.002	0.000	0.000	0.000	0.000
252	A	256	THR	0	-0.021	-0.037	43.211	-0.002	-0.002	0.000	0.000	0.000	0.000
253	A	257	GLY	0	0.019	0.012	40.276	0.000	0.000	0.000	0.000	0.000	0.000
254	A	258	ILE	0	-0.014	-0.008	37.999	-0.001	-0.001	0.000	0.000	0.000	0.000
255	A	259	LEU	0	-0.007	0.015	37.588	-0.003	-0.003	0.000	0.000	0.000	0.000
256	A	260	VAL	0	0.032	0.000	35.620	-0.002	-0.002	0.000	0.000	0.000	0.000
257	A	261	GLN	0	0.006	0.011	32.106	-0.003	-0.003	0.000	0.000	0.000	0.000
258	A	262	ARG	1	0.841	0.910	33.117	0.050	0.050	0.000	0.000	0.000	0.000
259	A	263	VAL	0	0.034	0.014	33.280	-0.005	-0.005	0.000	0.000	0.000	0.000
260	A	264	PHE	0	-0.004	-0.002	29.741	0.000	0.000	0.000	0.000	0.000	0.000
261	A	265	ASN	0	-0.001	-0.012	29.223	0.001	0.001	0.000	0.000	0.000	0.000
262	A	266	ALA	0	-0.012	-0.012	28.860	-0.008	-0.008	0.000	0.000	0.000	0.000
263	A	267	MET	0	-0.053	-0.003	29.201	-0.001	-0.001	0.000	0.000	0.000	0.000
264	A	268	ALA	0	-0.001	-0.017	24.238	0.004	0.004	0.000	0.000	0.000	0.000
265	A	269	LYS	1	0.841	0.914	24.220	0.145	0.145	0.000	0.000	0.000	0.000
266	A	270	MET	0	0.017	0.027	24.756	-0.011	-0.011	0.000	0.000	0.000	0.000
267	A	271	ASP	-1	-0.881	-0.957	26.346	-0.078	-0.078	0.000	0.000	0.000	0.000
268	A	272	ARG	1	0.959	0.990	27.145	0.044	0.044	0.000	0.000	0.000	0.000
269	A	273	GLN	0	-0.117	-0.058	28.518	-0.002	-0.002	0.000	0.000	0.000	0.000
270	A	274	LYS	1	0.938	0.965	28.855	0.116	0.116	0.000	0.000	0.000	0.000
271	A	275	GLU	-1	-0.933	-0.952	24.938	-0.166	-0.166	0.000	0.000	0.000	0.000
272	A	276	MET	0	-0.088	-0.023	24.104	-0.018	-0.018	0.000	0.000	0.000	0.000
273	A	277	LYS	1	1.014	0.992	16.215	0.214	0.214	0.000	0.000	0.000	0.000
274	A	278	PRO	0	0.012	0.004	20.378	-0.007	-0.007	0.000	0.000	0.000	0.000
275	A	279	ASP	-1	-0.837	-0.879	19.911	-0.214	-0.214	0.000	0.000	0.000	0.000
276	A	280	PRO	0	0.022	-0.013	16.119	0.030	0.030	0.000	0.000	0.000	0.000
277	A	281	GLU	-1	-0.783	-0.885	17.821	-0.169	-0.169	0.000	0.000	0.000	0.000
278	A	282	VAL	0	-0.071	-0.011	20.100	0.022	0.022	0.000	0.000	0.000	0.000
279	A	283	ALA	0	0.040	-0.006	21.968	0.017	0.017	0.000	0.000	0.000	0.000
280	A	284	GLU	-1	-0.963	-0.981	19.167	0.052	0.052	0.000	0.000	0.000	0.000
281	A	285	ALA	0	0.023	0.018	22.144	0.015	0.015	0.000	0.000	0.000	0.000
282	A	286	ASN	0	-0.080	-0.024	24.821	0.008	0.008	0.000	0.000	0.000	0.000
283	A	287	LYS	1	0.982	0.982	23.312	-0.044	-0.044	0.000	0.000	0.000	0.000
284	A	288	ILE	0	-0.072	-0.043	26.930	0.005	0.005	0.000	0.000	0.000	0.000
285	A	289	TRP	0	0.018	-0.008	30.169	0.004	0.004	0.000	0.000	0.000	0.000
286	A	290	ILE	0	0.093	0.052	26.473	0.001	0.001	0.000	0.000	0.000	0.000
287	A	291	ILE	0	-0.022	-0.021	27.882	0.005	0.005	0.000	0.000	0.000	0.000
288	A	292	ARG	1	0.915	0.972	30.442	-0.010	-0.010	0.000	0.000	0.000	0.000
289	A	293	VAL	0	0.041	0.033	32.591	0.001	0.001	0.000	0.000	0.000	0.000
290	A	294	LEU	0	0.020	0.016	27.783	0.001	0.001	0.000	0.000	0.000	0.000
291	A	295	LEU	0	-0.012	-0.012	32.462	0.002	0.002	0.000	0.000	0.000	0.000
292	A	296	GLU	-1	-0.868	-0.955	34.766	0.019	0.019	0.000	0.000	0.000	0.000
293	A	297	LEU	0	0.013	-0.017	34.429	-0.002	-0.002	0.000	0.000	0.000	0.000
294	A	298	GLN	0	-0.012	-0.001	33.411	0.003	0.003	0.000	0.000	0.000	0.000
295	A	299	GLU	-1	-0.952	-0.968	36.277	0.030	0.030	0.000	0.000	0.000	0.000
296	A	300	MET	0	-0.089	-0.050	39.473	-0.001	-0.001	0.000	0.000	0.000	0.000
297	A	301	LEU	0	0.041	0.015	35.649	-0.002	-0.002	0.000	0.000	0.000	0.000
298	A	302	GLN	0	-0.030	-0.007	40.143	0.000	0.000	0.000	0.000	0.000	0.000
299	A	303	ASP	-1	-0.813	-0.888	42.948	0.019	0.019	0.000	0.000	0.000	0.000
300	A	304	PRO	0	0.069	0.019	45.340	-0.003	-0.003	0.000	0.000	0.000	0.000
301	A	305	LYS	1	0.857	0.919	48.596	-0.016	-0.016	0.000	0.000	0.000	0.000
302	A	306	VAL	0	-0.056	-0.015	43.754	-0.003	-0.003	0.000	0.000	0.000	0.000
303	A	307	GLY	0	0.019	0.002	47.109	0.001	0.001	0.000	0.000	0.000	0.000
304	A	308	ALA	0	0.076	0.020	46.220	0.001	0.001	0.000	0.000	0.000	0.000
305	A	309	VAL	0	0.041	0.038	45.089	0.000	0.000	0.000	0.000	0.000	0.000
306	A	310	GLN	0	0.035	0.026	43.579	-0.001	-0.001	0.000	0.000	0.000	0.000
307	A	311	ARG	1	0.782	0.904	41.870	-0.019	-0.019	0.000	0.000	0.000	0.000
308	A	312	GLU	-1	-0.774	-0.915	40.562	0.005	0.005	0.000	0.000	0.000	0.000
309	A	313	THR	0	0.016	0.013	39.203	-0.002	-0.002	0.000	0.000	0.000	0.000
310	A	314	CYS	0	-0.067	-0.051	37.769	-0.002	-0.002	0.000	0.000	0.000	0.000
311	A	315	ILE	0	-0.015	0.018	35.656	0.003	0.003	0.000	0.000	0.000	0.000
312	A	316	ASP	-1	-0.810	-0.891	34.338	-0.004	-0.004	0.000	0.000	0.000	0.000
313	A	317	LEU	0	-0.073	-0.053	33.475	-0.004	-0.004	0.000	0.000	0.000	0.000
314	A	318	PHE	0	-0.020	-0.007	30.492	-0.002	-0.002	0.000	0.000	0.000	0.000
315	A	319	LEU	0	-0.008	-0.004	29.416	0.001	0.001	0.000	0.000	0.000	0.000
316	A	320	LYS	1	0.890	0.963	29.538	0.021	0.021	0.000	0.000	0.000	0.000
317	A	321	ASN	0	0.011	-0.022	27.594	-0.007	-0.007	0.000	0.000	0.000	0.000
318	A	322	LEU	0	-0.007	0.016	25.848	0.000	0.000	0.000	0.000	0.000	0.000
319	A	323	MET	0	0.017	0.005	24.334	0.009	0.009	0.000	0.000	0.000	0.000
320	A	324	HIS	0	0.070	0.079	17.468	0.014	0.014	0.000	0.000	0.000	0.000
321	A	325	MET	0	-0.152	-0.072	17.620	-0.024	-0.024	0.000	0.000	0.000	0.000
322	A	326	ASP	-1	-0.914	-0.960	20.647	-0.065	-0.065	0.000	0.000	0.000	0.000
323	A	327	GLY	0	-0.038	-0.021	22.578	0.001	0.001	0.000	0.000	0.000	0.000
324	A	328	GLY	0	-0.003	-0.002	23.838	-0.003	-0.003	0.000	0.000	0.000	0.000
325	A	329	ILE	0	-0.035	-0.034	22.660	-0.010	-0.010	0.000	0.000	0.000	0.000
326	A	330	PRO	0	0.008	0.028	18.691	0.000	0.000	0.000	0.000	0.000	0.000
327	A	331	ARG	1	0.964	0.925	12.149	-0.133	-0.133	0.000	0.000	0.000	0.000
328	A	332	GLY	0	-0.004	0.007	18.091	0.006	0.006	0.000	0.000	0.000	0.000
329	A	333	TRP	0	-0.017	-0.004	19.640	0.018	0.018	0.000	0.000	0.000	0.000
330	A	334	SER	0	0.039	0.009	22.243	0.016	0.016	0.000	0.000	0.000	0.000
331	A	335	TRP	0	0.009	-0.010	15.404	0.023	0.023	0.000	0.000	0.000	0.000
332	A	336	LYS	1	0.951	0.993	23.105	-0.076	-0.076	0.000	0.000	0.000	0.000
333	A	337	PHE	0	-0.014	0.025	25.363	-0.005	-0.005	0.000	0.000	0.000	0.000
334	A	338	VAL	0	0.011	-0.012	25.468	-0.004	-0.004	0.000	0.000	0.000	0.000
335	A	339	GLU	-1	-0.980	-0.987	22.735	0.206	0.206	0.000	0.000	0.000	0.000
336	A	340	GLU	-1	-0.917	-0.961	27.594	0.093	0.093	0.000	0.000	0.000	0.000
337	A	341	ARG	1	0.918	0.929	30.769	-0.078	-0.078	0.000	0.000	0.000	0.000
338	A	342	GLY	0	0.051	0.026	31.227	-0.006	-0.006	0.000	0.000	0.000	0.000
339	A	343	LEU	0	0.009	0.008	29.405	-0.006	-0.006	0.000	0.000	0.000	0.000
340	A	344	LEU	0	0.031	0.006	32.206	-0.004	-0.004	0.000	0.000	0.000	0.000
341	A	345	ALA	0	0.003	0.016	35.413	-0.004	-0.004	0.000	0.000	0.000	0.000
342	A	346	LEU	0	-0.004	-0.006	32.140	-0.005	-0.005	0.000	0.000	0.000	0.000
343	A	347	LEU	0	-0.012	-0.018	34.094	-0.003	-0.003	0.000	0.000	0.000	0.000
344	A	348	ASP	-1	-0.917	-0.957	37.052	0.042	0.042	0.000	0.000	0.000	0.000
345	A	349	VAL	0	-0.003	-0.008	39.228	-0.003	-0.003	0.000	0.000	0.000	0.000
346	A	350	ALA	0	-0.011	-0.009	38.188	-0.003	-0.003	0.000	0.000	0.000	0.000
347	A	351	SER	0	-0.072	-0.037	40.265	-0.001	-0.001	0.000	0.000	0.000	0.000
348	A	352	GLN	0	-0.001	0.018	43.307	-0.003	-0.003	0.000	0.000	0.000	0.000
349	A	353	ILE	0	-0.017	0.005	45.657	-0.001	-0.001	0.000	0.000	0.000	0.000
350	A	354	PRO	0	-0.011	-0.008	48.171	0.000	0.000	0.000	0.000	0.000	0.000
351	A	355	GLU	-1	-0.863	-0.955	51.013	0.018	0.018	0.000	0.000	0.000	0.000
352	A	356	LEU	0	-0.048	-0.010	50.630	0.001	0.001	0.000	0.000	0.000	0.000
353	A	357	CYS	0	-0.057	-0.035	48.608	0.001	0.001	0.000	0.000	0.000	0.000
354	A	358	GLU	-1	-0.928	-0.964	46.727	0.038	0.038	0.000	0.000	0.000	0.000
355	A	359	TYR	0	-0.010	-0.016	42.790	-0.002	-0.002	0.000	0.000	0.000	0.000
356	A	360	PRO	0	-0.064	-0.010	47.558	0.000	0.000	0.000	0.000	0.000	0.000
357	A	361	VAL	0	0.046	0.018	45.199	0.000	0.000	0.000	0.000	0.000	0.000
358	A	362	SER	0	-0.072	-0.052	46.723	-0.001	-0.001	0.000	0.000	0.000	0.000
359	A	363	ALA	0	0.023	-0.001	46.821	0.001	0.001	0.000	0.000	0.000	0.000
360	A	364	GLU	-1	-0.856	-0.933	43.663	-0.003	-0.003	0.000	0.000	0.000	0.000
361	A	365	THR	0	-0.046	-0.013	42.461	0.001	0.001	0.000	0.000	0.000	0.000
362	A	366	ARG	1	0.985	1.014	41.057	-0.024	-0.024	0.000	0.000	0.000	0.000
363	A	367	GLN	0	0.045	0.019	39.545	0.005	0.005	0.000	0.000	0.000	0.000
364	A	368	HIS	1	0.814	0.849	37.668	0.003	0.003	0.000	0.000	0.000	0.000
365	A	369	VAL	0	0.026	0.017	36.419	0.001	0.001	0.000	0.000	0.000	0.000
366	A	370	ALA	0	-0.018	0.003	35.390	0.005	0.005	0.000	0.000	0.000	0.000
367	A	371	ILE	0	0.022	0.021	33.270	0.005	0.005	0.000	0.000	0.000	0.000
368	A	372	CYS	0	-0.035	0.001	31.511	0.003	0.003	0.000	0.000	0.000	0.000
369	A	373	LEU	0	0.031	0.008	30.509	0.007	0.007	0.000	0.000	0.000	0.000
370	A	374	GLN	0	-0.054	-0.022	29.623	0.004	0.004	0.000	0.000	0.000	0.000
371	A	375	ARG	0	0.067	0.056	26.104	0.009	0.009	0.000	0.000	0.000	0.000
372	A	376	LEU	0	0.000	-0.007	25.852	0.005	0.005	0.000	0.000	0.000	0.000
373	A	377	GLU	-1	-0.951	-0.986	25.359	0.108	0.108	0.000	0.000	0.000	0.000
374	A	378	GLU	-1	-0.895	-0.955	23.973	0.034	0.034	0.000	0.000	0.000	0.000
375	A	379	ASP	-1	-0.856	-0.918	21.130	0.052	0.052	0.000	0.000	0.000	0.000
376	A	380	MET	0	-0.031	-0.014	21.294	0.024	0.024	0.000	0.000	0.000	0.000
377	A	381	VAL	0	-0.073	-0.046	16.029	0.041	0.041	0.000	0.000	0.000	0.000
378	A	382	PHE	0	0.011	0.015	11.986	0.034	0.034	0.000	0.000	0.000	0.000
379	A	383	ASP	-1	-0.837	-0.921	17.019	0.339	0.339	0.000	0.000	0.000	0.000
380	A	384	THR	0	-0.089	-0.055	17.426	-0.040	-0.040	0.000	0.000	0.000	0.000
381	A	385	LYS	1	1.004	0.995	19.178	-0.316	-0.316	0.000	0.000	0.000	0.000
382	A	386	ARG	1	0.985	1.005	20.534	-0.191	-0.191	0.000	0.000	0.000	0.000
383	A	387	THR	0	-0.027	0.006	23.130	-0.018	-0.018	0.000	0.000	0.000	0.000
384	A	388	ILE	0	0.008	-0.002	23.320	-0.020	-0.020	0.000	0.000	0.000	0.000
385	A	389	PHE	0	0.015	0.014	25.657	-0.016	-0.016	0.000	0.000	0.000	0.000
386	A	390	LYS	1	0.893	0.913	27.361	-0.146	-0.146	0.000	0.000	0.000	0.000
387	A	391	GLU	-1	-0.945	-0.974	28.200	0.178	0.178	0.000	0.000	0.000	0.000
388	A	392	LYS	1	0.918	0.965	29.514	-0.139	-0.139	0.000	0.000	0.000	0.000
389	A	393	VAL	0	-0.005	0.025	31.397	-0.008	-0.008	0.000	0.000	0.000	0.000
390	A	394	ASP	-1	-0.811	-0.911	33.129	0.110	0.110	0.000	0.000	0.000	0.000
391	A	395	MET	0	-0.057	-0.026	34.508	-0.005	-0.005	0.000	0.000	0.000	0.000
392	A	396	PHE	0	-0.034	-0.027	36.063	-0.005	-0.005	0.000	0.000	0.000	0.000
393	A	397	PHE	0	0.050	0.011	37.553	-0.007	-0.007	0.000	0.000	0.000	0.000
394	A	398	ASN	0	-0.009	-0.002	38.338	-0.007	-0.007	0.000	0.000	0.000	0.000
395	A	399	ALA	0	-0.016	-0.022	40.822	-0.005	-0.005	0.000	0.000	0.000	0.000
396	A	400	LEU	0	-0.065	-0.003	41.792	-0.005	-0.005	0.000	0.000	0.000	0.000
397	A	401	ILE	0	0.135	0.048	43.502	-0.003	-0.003	0.000	0.000	0.000	0.000
398	A	402	SER	0	-0.013	0.009	44.962	-0.002	-0.002	0.000	0.000	0.000	0.000
399	A	403	ARG	1	0.816	0.896	45.630	-0.056	-0.056	0.000	0.000	0.000	0.000
400	A	404	CYS	0	-0.085	-0.002	48.355	-0.002	-0.002	0.000	0.000	0.000	0.000
401	A	405	THR	0	-0.057	-0.092	50.692	0.000	0.000	0.000	0.000	0.000	0.000
402	A	406	ASN	0	-0.022	-0.028	54.149	-0.002	-0.002	0.000	0.000	0.000	0.000
403	A	407	ASP	-1	-0.753	-0.817	56.867	0.037	0.037	0.000	0.000	0.000	0.000
404	A	408	ASP	-1	-0.891	-0.972	57.089	0.029	0.029	0.000	0.000	0.000	0.000
405	A	409	GLU	-1	-0.958	-0.972	54.156	0.038	0.038	0.000	0.000	0.000	0.000
406	A	410	GLY	0	0.086	0.037	53.221	0.001	0.001	0.000	0.000	0.000	0.000
407	A	411	HIS	0	0.006	-0.002	52.756	0.002	0.002	0.000	0.000	0.000	0.000
408	A	412	LYS	1	1.001	1.005	52.106	-0.031	-0.031	0.000	0.000	0.000	0.000
409	A	413	TYR	0	-0.022	-0.019	47.461	0.002	0.002	0.000	0.000	0.000	0.000
410	A	414	ARG	1	0.876	0.938	48.006	-0.038	-0.038	0.000	0.000	0.000	0.000
411	A	415	ILE	0	0.042	0.017	48.562	0.000	0.000	0.000	0.000	0.000	0.000
412	A	416	LYS	1	0.885	0.946	45.400	-0.043	-0.043	0.000	0.000	0.000	0.000
413	A	417	LEU	0	-0.027	-0.018	42.597	0.000	0.000	0.000	0.000	0.000	0.000
414	A	418	SER	0	0.058	0.045	44.020	0.002	0.002	0.000	0.000	0.000	0.000
415	A	419	CYS	0	-0.010	-0.034	44.120	0.000	0.000	0.000	0.000	0.000	0.000
416	A	420	PHE	0	0.009	-0.007	36.802	0.000	0.000	0.000	0.000	0.000	0.000
417	A	421	LEU	0	-0.059	-0.028	39.556	0.003	0.003	0.000	0.000	0.000	0.000
418	A	422	ILE	0	0.017	0.047	40.297	-0.001	-0.001	0.000	0.000	0.000	0.000
419	A	423	THR	0	-0.032	-0.024	37.834	-0.004	-0.004	0.000	0.000	0.000	0.000
420	A	424	MET	0	-0.020	0.004	32.769	-0.003	-0.003	0.000	0.000	0.000	0.000
421	A	425	LEU	0	-0.036	-0.007	35.647	0.004	0.004	0.000	0.000	0.000	0.000
422	A	426	GLN	0	-0.066	-0.038	37.397	-0.003	-0.003	0.000	0.000	0.000	0.000
423	A	427	GLY	0	0.032	0.024	34.411	-0.005	-0.005	0.000	0.000	0.000	0.000
424	A	428	PRO	0	-0.003	0.021	30.615	-0.002	-0.002	0.000	0.000	0.000	0.000
425	A	429	VAL	0	0.021	0.004	31.880	0.009	0.009	0.000	0.000	0.000	0.000
426	A	430	ASP	-1	-0.932	-0.941	30.297	0.078	0.078	0.000	0.000	0.000	0.000
427	A	431	ILE	0	-0.066	-0.049	28.640	0.006	0.006	0.000	0.000	0.000	0.000
428	A	432	GLY	0	0.048	0.025	32.429	0.001	0.001	0.000	0.000	0.000	0.000
429	A	433	ILE	0	0.082	0.019	35.213	0.001	0.001	0.000	0.000	0.000	0.000
430	A	434	ASN	0	-0.119	-0.072	33.503	0.003	0.003	0.000	0.000	0.000	0.000
431	A	435	LEU	0	-0.056	-0.014	35.542	0.004	0.004	0.000	0.000	0.000	0.000
432	A	436	ILE	0	0.026	0.013	37.935	-0.002	-0.002	0.000	0.000	0.000	0.000
433	A	437	THR	0	-0.088	-0.024	38.543	-0.002	-0.002	0.000	0.000	0.000	0.000
434	A	438	ASN	0	0.029	0.012	40.418	0.002	0.002	0.000	0.000	0.000	0.000
435	A	439	ASP	-1	-0.846	-0.916	42.168	0.056	0.056	0.000	0.000	0.000	0.000
436	A	440	GLN	0	-0.079	-0.057	43.931	-0.004	-0.004	0.000	0.000	0.000	0.000
437	A	441	LEU	0	0.033	-0.008	43.771	-0.002	-0.002	0.000	0.000	0.000	0.000
438	A	442	THR	0	0.004	-0.002	46.397	-0.004	-0.004	0.000	0.000	0.000	0.000
439	A	443	PRO	0	-0.035	0.008	48.658	-0.003	-0.003	0.000	0.000	0.000	0.000
440	A	444	ILE	0	0.068	0.032	48.864	-0.002	-0.002	0.000	0.000	0.000	0.000
441	A	445	MET	0	-0.013	0.001	48.883	-0.003	-0.003	0.000	0.000	0.000	0.000
442	A	446	LEU	0	-0.007	-0.021	50.936	-0.003	-0.003	0.000	0.000	0.000	0.000
443	A	447	GLU	-1	-0.952	-0.977	54.269	0.037	0.037	0.000	0.000	0.000	0.000
444	A	448	MET	0	-0.060	-0.036	50.549	-0.001	-0.001	0.000	0.000	0.000	0.000
445	A	449	ALA	0	-0.039	-0.005	54.261	-0.002	-0.002	0.000	0.000	0.000	0.000
446	A	450	ALA	0	-0.029	-0.025	55.926	-0.002	-0.002	0.000	0.000	0.000	0.000
447	A	451	SER	0	-0.007	0.009	58.485	-0.002	-0.002	0.000	0.000	0.000	0.000
448	A	452	GLN	0	0.004	0.001	60.193	-0.002	-0.002	0.000	0.000	0.000	0.000
449	A	453	ASP	-1	-0.867	-0.922	57.311	0.024	0.024	0.000	0.000	0.000	0.000
450	A	454	HIS	0	0.056	0.001	58.448	0.001	0.001	0.000	0.000	0.000	0.000
451	A	455	LEU	0	-0.018	0.011	53.333	0.000	0.000	0.000	0.000	0.000	0.000
452	A	456	MET	0	-0.070	-0.036	53.519	0.001	0.001	0.000	0.000	0.000	0.000
453	A	457	GLN	0	-0.013	0.006	54.277	0.000	0.000	0.000	0.000	0.000	0.000
454	A	458	GLY	0	0.087	0.041	54.681	0.000	0.000	0.000	0.000	0.000	0.000
455	A	459	ILE	0	-0.066	-0.053	49.288	0.000	0.000	0.000	0.000	0.000	0.000
456	A	460	ALA	0	0.020	0.026	49.853	0.003	0.003	0.000	0.000	0.000	0.000
457	A	461	ALA	0	0.020	0.014	50.099	0.001	0.001	0.000	0.000	0.000	0.000
458	A	462	GLU	-1	-0.835	-0.904	47.468	0.021	0.021	0.000	0.000	0.000	0.000
459	A	463	LEU	0	-0.001	0.008	44.257	0.000	0.000	0.000	0.000	0.000	0.000
460	A	464	ILE	0	0.004	0.010	45.571	0.003	0.003	0.000	0.000	0.000	0.000
461	A	465	VAL	0	0.077	0.046	46.318	0.000	0.000	0.000	0.000	0.000	0.000
462	A	466	ALA	0	-0.048	-0.035	43.114	-0.002	-0.002	0.000	0.000	0.000	0.000
463	A	467	THR	0	-0.059	-0.051	42.333	0.004	0.004	0.000	0.000	0.000	0.000
464	A	468	VAL	0	-0.079	-0.033	42.970	0.001	0.001	0.000	0.000	0.000	0.000
465	A	469	SER	0	-0.100	-0.030	39.587	0.001	0.001	0.000	0.000	0.000	0.000
466	A	470	LYS	1	0.986	0.979	33.801	-0.040	-0.040	0.000	0.000	0.000	0.000
467	A	471	HIS	0	0.014	0.013	36.150	-0.006	-0.006	0.000	0.000	0.000	0.000
468	A	472	GLU	-1	-0.855	-0.969	39.829	0.043	0.043	0.000	0.000	0.000	0.000
469	A	473	ARG	1	0.905	0.956	32.831	-0.084	-0.084	0.000	0.000	0.000	0.000
470	A	474	ALA	0	0.084	0.026	40.013	0.003	0.003	0.000	0.000	0.000	0.000
471	A	475	ILE	0	-0.055	0.008	41.812	-0.002	-0.002	0.000	0.000	0.000	0.000
472	A	476	ASN	0	0.038	0.008	44.300	-0.005	-0.005	0.000	0.000	0.000	0.000
473	A	477	MET	0	0.040	0.025	45.020	-0.004	-0.004	0.000	0.000	0.000	0.000
474	A	478	LEU	0	0.026	0.036	44.321	-0.003	-0.003	0.000	0.000	0.000	0.000
475	A	479	LYS	1	0.929	0.977	48.179	-0.038	-0.038	0.000	0.000	0.000	0.000
476	A	480	VAL	0	0.007	0.000	50.479	-0.003	-0.003	0.000	0.000	0.000	0.000
477	A	481	GLY	0	0.046	0.020	50.351	-0.002	-0.002	0.000	0.000	0.000	0.000
478	A	482	ILE	0	-0.013	-0.017	49.173	-0.002	-0.002	0.000	0.000	0.000	0.000
479	A	483	PRO	0	-0.077	-0.068	52.354	-0.002	-0.002	0.000	0.000	0.000	0.000
480	A	484	VAL	0	0.050	0.035	53.902	-0.002	-0.002	0.000	0.000	0.000	0.000
481	A	485	LEU	0	0.000	0.005	51.361	-0.001	-0.001	0.000	0.000	0.000	0.000
482	A	486	ARG	1	0.879	0.949	54.595	-0.022	-0.022	0.000	0.000	0.000	0.000
483	A	487	ALA	0	-0.003	0.026	58.282	-0.001	-0.001	0.000	0.000	0.000	0.000
484	A	488	LEU	0	0.020	0.001	55.439	-0.001	-0.001	0.000	0.000	0.000	0.000
485	A	489	TYR	0	-0.036	-0.017	58.217	-0.002	-0.002	0.000	0.000	0.000	0.000
486	A	490	ASP	-1	-0.952	-0.981	59.879	0.014	0.014	0.000	0.000	0.000	0.000
487	A	491	SER	0	-0.021	-0.014	61.506	-0.001	-0.001	0.000	0.000	0.000	0.000
488	A	492	GLU	-1	-0.936	-0.968	63.505	0.011	0.011	0.000	0.000	0.000	0.000
489	A	493	ASP	-1	-0.849	-0.913	61.435	0.013	0.013	0.000	0.000	0.000	0.000
490	A	494	PRO	0	0.004	0.006	61.233	0.000	0.000	0.000	0.000	0.000	0.000
491	A	495	THR	0	-0.086	-0.060	57.471	0.000	0.000	0.000	0.000	0.000	0.000
492	A	496	VAL	0	0.042	0.020	56.625	0.001	0.001	0.000	0.000	0.000	0.000
493	A	497	LYS	1	0.894	0.977	57.604	-0.011	-0.011	0.000	0.000	0.000	0.000
494	A	498	VAL	0	-0.002	-0.021	55.041	0.000	0.000	0.000	0.000	0.000	0.000
495	A	499	ARG	1	0.871	0.958	51.578	-0.017	-0.017	0.000	0.000	0.000	0.000
496	A	500	ALA	0	0.025	0.007	52.640	0.001	0.001	0.000	0.000	0.000	0.000
497	A	501	LEU	0	-0.042	-0.029	54.497	0.000	0.000	0.000	0.000	0.000	0.000
498	A	502	VAL	0	0.070	0.022	49.079	-0.001	-0.001	0.000	0.000	0.000	0.000
499	A	503	GLY	0	0.034	-0.012	48.970	0.002	0.002	0.000	0.000	0.000	0.000
500	A	504	LEU	0	-0.082	-0.049	49.994	0.000	0.000	0.000	0.000	0.000	0.000
501	A	505	CYS	0	-0.063	-0.043	51.769	-0.002	-0.002	0.000	0.000	0.000	0.000
502	A	506	LYS	1	0.799	0.995	43.065	-0.022	-0.022	0.000	0.000	0.000	0.000
503	A	507	ILE	0	0.001	0.003	47.821	0.002	0.002	0.000	0.000	0.000	0.000
504	A	525	VAL	0	0.016	0.004	56.967	0.000	0.000	0.000	0.000	0.000	0.000
505	A	526	ILE	0	0.084	0.029	57.444	-0.001	-0.001	0.000	0.000	0.000	0.000
506	A	527	SER	0	-0.030	-0.022	60.067	-0.001	-0.001	0.000	0.000	0.000	0.000
507	A	528	LEU	0	0.091	0.051	55.212	0.000	0.000	0.000	0.000	0.000	0.000
508	A	529	ALA	0	0.087	0.029	57.666	0.000	0.000	0.000	0.000	0.000	0.000
509	A	530	LYS	1	0.892	0.947	58.647	-0.002	-0.002	0.000	0.000	0.000	0.000
510	A	531	THR	0	-0.014	0.007	60.129	0.000	0.000	0.000	0.000	0.000	0.000
511	A	532	CYS	0	-0.012	-0.011	56.201	0.000	0.000	0.000	0.000	0.000	0.000
512	A	533	LYS	1	0.890	0.954	58.419	0.003	0.003	0.000	0.000	0.000	0.000
513	A	534	LYS	1	0.939	0.963	60.848	-0.004	-0.004	0.000	0.000	0.000	0.000
514	A	535	PHE	0	0.008	0.010	59.211	0.000	0.000	0.000	0.000	0.000	0.000
515	A	536	LEU	0	-0.016	-0.015	55.599	0.000	0.000	0.000	0.000	0.000	0.000
516	A	537	LEU	0	0.014	0.011	59.804	-0.001	-0.001	0.000	0.000	0.000	0.000
517	A	538	GLU	-1	-0.951	-0.949	63.135	0.000	0.000	0.000	0.000	0.000	0.000
518	A	539	THR	0	-0.059	-0.109	62.083	0.001	0.001	0.000	0.000	0.000	0.000
519	A	540	GLU	-1	-0.915	-0.970	62.790	-0.001	-0.001	0.000	0.000	0.000	0.000
520	A	541	LYS	1	0.876	0.975	64.880	0.001	0.001	0.000	0.000	0.000	0.000
521	A	542	TYR	0	0.037	0.026	61.079	0.001	0.001	0.000	0.000	0.000	0.000
522	A	543	SER	0	0.086	0.038	58.998	-0.001	-0.001	0.000	0.000	0.000	0.000
523	A	544	VAL	0	0.005	-0.024	55.127	0.000	0.000	0.000	0.000	0.000	0.000
524	A	545	ASP	-1	-0.850	-0.943	51.824	0.010	0.010	0.000	0.000	0.000	0.000
525	A	546	ILE	0	0.021	0.038	53.856	0.001	0.001	0.000	0.000	0.000	0.000
526	A	547	ARG	1	0.867	0.947	55.256	0.001	0.001	0.000	0.000	0.000	0.000
527	A	548	ARG	1	0.950	1.006	46.034	-0.011	-0.011	0.000	0.000	0.000	0.000
528	A	549	TYR	0	-0.004	-0.043	49.172	-0.002	-0.002	0.000	0.000	0.000	0.000
529	A	550	ALA	0	-0.048	0.002	52.198	0.000	0.000	0.000	0.000	0.000	0.000
530	A	551	CYS	0	-0.006	0.044	50.885	-0.001	-0.001	0.000	0.000	0.000	0.000
531	A	552	GLU	-1	-0.811	-0.870	46.664	0.012	0.012	0.000	0.000	0.000	0.000
532	A	553	GLY	0	-0.008	-0.005	49.376	0.000	0.000	0.000	0.000	0.000	0.000
533	A	554	LEU	0	0.005	-0.022	51.427	0.000	0.000	0.000	0.000	0.000	0.000
534	A	555	SER	0	-0.026	-0.028	47.128	-0.002	-0.002	0.000	0.000	0.000	0.000
535	A	556	TYR	0	-0.087	-0.094	44.700	0.000	0.000	0.000	0.000	0.000	0.000
536	A	557	LEU	0	-0.017	-0.003	48.706	0.000	0.000	0.000	0.000	0.000	0.000
537	A	558	SER	0	-0.012	-0.004	50.414	-0.001	-0.001	0.000	0.000	0.000	0.000
538	A	559	LEU	0	0.015	0.006	45.794	-0.001	-0.001	0.000	0.000	0.000	0.000
539	A	560	ASP	-1	-0.860	-0.897	49.267	-0.004	-0.004	0.000	0.000	0.000	0.000
540	A	561	ALA	0	0.029	-0.004	52.400	-0.001	-0.001	0.000	0.000	0.000	0.000
541	A	562	ASP	-1	-0.860	-0.941	54.377	-0.005	-0.005	0.000	0.000	0.000	0.000
542	A	563	VAL	0	-0.076	-0.046	53.844	0.000	0.000	0.000	0.000	0.000	0.000
543	A	564	LYS	1	0.763	0.857	48.836	0.013	0.013	0.000	0.000	0.000	0.000
544	A	565	GLU	-1	-0.833	-0.945	55.206	-0.013	-0.013	0.000	0.000	0.000	0.000
545	A	566	TRP	0	-0.043	-0.007	58.543	0.001	0.001	0.000	0.000	0.000	0.000
546	A	567	ILE	0	-0.030	-0.028	54.748	0.000	0.000	0.000	0.000	0.000	0.000
547	A	568	VAL	0	-0.052	-0.009	56.436	0.000	0.000	0.000	0.000	0.000	0.000
548	A	569	ASP	-1	-0.894	-0.939	59.140	-0.010	-0.010	0.000	0.000	0.000	0.000
549	A	570	ASP	-1	-0.908	-0.937	62.077	-0.005	-0.005	0.000	0.000	0.000	0.000
550	A	571	SER	0	0.075	0.029	62.033	0.000	0.000	0.000	0.000	0.000	0.000
551	A	572	LEU	0	-0.003	-0.007	62.113	0.000	0.000	0.000	0.000	0.000	0.000
552	A	573	LEU	0	0.011	0.001	57.944	0.000	0.000	0.000	0.000	0.000	0.000
553	A	574	LEU	0	0.059	0.029	56.630	0.000	0.000	0.000	0.000	0.000	0.000
554	A	575	LYS	1	0.913	0.965	58.311	0.010	0.010	0.000	0.000	0.000	0.000
555	A	576	ALA	0	-0.041	-0.025	60.091	0.000	0.000	0.000	0.000	0.000	0.000
556	A	577	LEU	0	0.003	-0.006	53.496	0.001	0.001	0.000	0.000	0.000	0.000
557	A	578	VAL	0	0.005	0.024	54.599	-0.001	-0.001	0.000	0.000	0.000	0.000
558	A	579	LEU	0	-0.069	-0.039	55.497	0.000	0.000	0.000	0.000	0.000	0.000
559	A	580	LEU	0	-0.001	0.000	52.603	0.001	0.001	0.000	0.000	0.000	0.000
560	A	581	ALA	0	0.115	0.062	51.218	0.001	0.001	0.000	0.000	0.000	0.000
561	A	582	LYS	1	0.899	0.963	52.222	0.015	0.015	0.000	0.000	0.000	0.000
562	A	583	LYS	1	0.824	0.891	53.527	0.005	0.005	0.000	0.000	0.000	0.000
563	A	584	ALA	0	0.022	0.014	51.029	0.001	0.001	0.000	0.000	0.000	0.000
564	A	585	GLY	0	0.060	0.035	48.596	0.001	0.001	0.000	0.000	0.000	0.000
565	A	586	ALA	0	0.029	-0.021	43.213	0.001	0.001	0.000	0.000	0.000	0.000
566	A	587	LEU	0	-0.025	-0.001	44.340	0.002	0.002	0.000	0.000	0.000	0.000
567	A	588	CYS	0	-0.082	-0.025	46.677	0.003	0.003	0.000	0.000	0.000	0.000
568	A	589	VAL	0	0.061	0.048	42.151	-0.002	-0.002	0.000	0.000	0.000	0.000
569	A	590	TYR	0	0.020	0.004	37.786	-0.002	-0.002	0.000	0.000	0.000	0.000
570	A	591	THR	0	-0.025	-0.045	42.699	-0.001	-0.001	0.000	0.000	0.000	0.000
571	A	592	LEU	0	0.076	0.033	46.236	-0.001	-0.001	0.000	0.000	0.000	0.000
572	A	593	ALA	0	-0.020	-0.003	43.621	-0.002	-0.002	0.000	0.000	0.000	0.000
573	A	594	THR	0	0.032	-0.010	43.659	-0.002	-0.002	0.000	0.000	0.000	0.000
574	A	595	ILE	0	0.006	0.025	45.565	0.000	0.000	0.000	0.000	0.000	0.000
575	A	596	TYR	0	0.038	0.009	48.244	0.000	0.000	0.000	0.000	0.000	0.000
576	A	597	ALA	0	-0.024	0.006	44.249	-0.002	-0.002	0.000	0.000	0.000	0.000
577	A	598	ASN	0	-0.040	-0.045	45.251	0.000	0.000	0.000	0.000	0.000	0.000
578	A	599	LEU	0	-0.040	-0.016	47.889	0.000	0.000	0.000	0.000	0.000	0.000
579	A	600	SER	0	0.023	0.026	49.052	0.000	0.000	0.000	0.000	0.000	0.000
580	A	601	ASN	0	-0.082	-0.029	47.351	-0.002	-0.002	0.000	0.000	0.000	0.000
581	A	602	ALA	0	0.099	0.056	43.953	-0.002	-0.002	0.000	0.000	0.000	0.000
582	A	603	PHE	0	-0.097	-0.049	39.997	-0.003	-0.003	0.000	0.000	0.000	0.000
583	A	604	GLU	-1	-0.888	-0.949	37.141	-0.050	-0.050	0.000	0.000	0.000	0.000
584	A	605	LYN	0	0.022	-0.002	38.944	0.003	0.003	0.000	0.000	0.000	0.000
585	A	606	PRO	0	-0.022	-0.006	35.812	-0.004	-0.004	0.000	0.000	0.000	0.000
586	A	607	LYS	1	0.971	0.999	37.769	0.031	0.031	0.000	0.000	0.000	0.000
587	A	618	PHE	0	0.033	0.020	49.159	0.000	0.000	0.000	0.000	0.000	0.000
588	A	619	ALA	0	0.000	-0.022	49.369	-0.001	-0.001	0.000	0.000	0.000	0.000
589	A	620	LYS	1	0.931	0.953	50.718	0.002	0.002	0.000	0.000	0.000	0.000
590	A	621	HIS	0	0.018	-0.007	49.342	-0.002	-0.002	0.000	0.000	0.000	0.000
591	A	622	HIS	0	0.078	0.064	50.896	0.000	0.000	0.000	0.000	0.000	0.000
592	A	623	VAL	0	-0.004	-0.011	53.027	0.000	0.000	0.000	0.000	0.000	0.000
593	A	624	PRO	0	-0.046	-0.010	50.574	0.000	0.000	0.000	0.000	0.000	0.000
594	A	625	GLU	-1	-0.933	-0.967	50.457	-0.020	-0.020	0.000	0.000	0.000	0.000
595	A	626	THR	0	0.020	0.013	51.822	-0.001	-0.001	0.000	0.000	0.000	0.000
596	A	627	HIS	1	0.882	0.932	53.392	0.006	0.006	0.000	0.000	0.000	0.000
597	A	628	PRO	0	0.069	0.018	56.108	-0.001	-0.001	0.000	0.000	0.000	0.000
598	A	629	LYS	1	0.889	0.936	56.191	0.008	0.008	0.000	0.000	0.000	0.000
599	A	630	ASP	-1	-0.932	-0.940	50.369	-0.015	-0.015	0.000	0.000	0.000	0.000
600	A	631	THR	0	-0.044	-0.014	51.672	-0.001	-0.001	0.000	0.000	0.000	0.000
601	A	632	GLU	-1	-0.850	-0.978	53.827	-0.022	-0.022	0.000	0.000	0.000	0.000
602	A	633	GLU	-1	-0.924	-0.919	55.021	-0.019	-0.019	0.000	0.000	0.000	0.000
603	A	634	TYR	0	0.062	0.054	56.865	0.001	0.001	0.000	0.000	0.000	0.000
604	A	635	VAL	0	-0.050	-0.015	51.283	0.001	0.001	0.000	0.000	0.000	0.000
605	A	636	GLU	-1	-0.796	-0.894	54.329	-0.027	-0.027	0.000	0.000	0.000	0.000
606	A	637	LYS	1	0.902	0.955	56.393	0.014	0.014	0.000	0.000	0.000	0.000
607	A	638	ARG	1	0.829	0.900	52.213	0.017	0.017	0.000	0.000	0.000	0.000
608	A	639	VAL	0	0.019	0.020	51.916	0.000	0.000	0.000	0.000	0.000	0.000
609	A	640	ARG	1	0.843	0.909	54.671	0.025	0.025	0.000	0.000	0.000	0.000
610	A	641	ALA	0	0.025	0.018	57.896	0.000	0.000	0.000	0.000	0.000	0.000
611	A	642	LEU	0	-0.066	-0.049	52.540	0.001	0.001	0.000	0.000	0.000	0.000
612	A	643	VAL	0	0.011	0.001	53.904	0.000	0.000	0.000	0.000	0.000	0.000
613	A	644	GLU	-1	-0.960	-0.966	56.274	-0.022	-0.022	0.000	0.000	0.000	0.000
614	A	645	GLU	-1	-0.932	-0.960	58.530	-0.012	-0.012	0.000	0.000	0.000	0.000
615	A	646	GLY	0	-0.020	-0.026	56.735	0.001	0.001	0.000	0.000	0.000	0.000
616	A	647	ALA	0	0.053	0.057	52.998	-0.002	-0.002	0.000	0.000	0.000	0.000
617	A	648	VAL	0	0.054	0.004	50.057	0.000	0.000	0.000	0.000	0.000	0.000
618	A	649	PRO	0	-0.032	-0.016	50.746	0.000	0.000	0.000	0.000	0.000	0.000
619	A	650	ALA	0	-0.030	-0.012	51.782	0.001	0.001	0.000	0.000	0.000	0.000
620	A	651	CYS	0	-0.018	-0.006	47.007	0.001	0.001	0.000	0.000	0.000	0.000
621	A	652	VAL	0	-0.003	-0.010	46.730	0.000	0.000	0.000	0.000	0.000	0.000
622	A	653	ALA	0	-0.057	-0.011	47.427	0.000	0.000	0.000	0.000	0.000	0.000
623	A	654	VAL	0	-0.040	-0.008	45.877	0.001	0.001	0.000	0.000	0.000	0.000
624	A	655	SER	0	-0.002	-0.008	43.336	0.000	0.000	0.000	0.000	0.000	0.000
625	A	656	LYS	1	0.847	0.936	41.931	0.020	0.020	0.000	0.000	0.000	0.000
626	A	657	THR	0	0.086	0.046	39.166	0.003	0.003	0.000	0.000	0.000	0.000
627	A	658	GLU	-1	-0.926	-0.955	34.748	-0.015	-0.015	0.000	0.000	0.000	0.000
628	A	659	SER	0	-0.027	-0.035	34.786	0.001	0.001	0.000	0.000	0.000	0.000
629	A	660	LYS	1	0.962	0.931	29.487	0.006	0.006	0.000	0.000	0.000	0.000
630	A	661	ASN	0	0.007	-0.009	32.994	0.001	0.001	0.000	0.000	0.000	0.000
631	A	662	ALA	0	0.033	0.019	36.121	-0.001	-0.001	0.000	0.000	0.000	0.000
632	A	663	LEU	0	0.006	-0.001	36.320	-0.001	-0.001	0.000	0.000	0.000	0.000
633	A	664	GLU	-1	-0.843	-0.906	34.599	-0.043	-0.043	0.000	0.000	0.000	0.000
634	A	665	LEU	0	-0.007	0.003	38.098	-0.001	-0.001	0.000	0.000	0.000	0.000
635	A	666	ILE	0	0.036	0.018	41.501	0.000	0.000	0.000	0.000	0.000	0.000
636	A	667	ALA	0	-0.027	0.001	39.791	-0.001	-0.001	0.000	0.000	0.000	0.000
637	A	668	ARG	1	0.849	0.913	36.338	0.037	0.037	0.000	0.000	0.000	0.000
638	A	669	SER	0	-0.013	-0.016	42.779	0.001	0.001	0.000	0.000	0.000	0.000
639	A	670	LEU	0	0.006	-0.002	45.041	0.001	0.001	0.000	0.000	0.000	0.000
640	A	671	LEU	0	-0.076	-0.038	41.685	-0.001	-0.001	0.000	0.000	0.000	0.000
641	A	672	ALA	0	-0.004	-0.011	45.417	0.000	0.000	0.000	0.000	0.000	0.000
642	A	673	PHE	0	-0.016	-0.007	47.814	0.003	0.003	0.000	0.000	0.000	0.000
643	A	674	ALA	0	-0.031	-0.020	49.109	0.001	0.001	0.000	0.000	0.000	0.000
644	A	675	GLU	-1	-0.910	-0.967	48.186	-0.045	-0.045	0.000	0.000	0.000	0.000
645	A	676	TYR	0	0.014	0.008	51.687	0.001	0.001	0.000	0.000	0.000	0.000
646	A	677	GLU	-1	-0.933	-1.010	54.904	-0.039	-0.039	0.000	0.000	0.000	0.000
647	A	678	ASP	-1	-0.872	-0.933	56.674	-0.029	-0.029	0.000	0.000	0.000	0.000
648	A	679	LEU	0	0.042	0.027	54.594	0.001	0.001	0.000	0.000	0.000	0.000
649	A	680	ARG	1	0.851	0.937	50.856	0.043	0.043	0.000	0.000	0.000	0.000
650	A	681	GLY	0	-0.009	-0.001	54.341	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	682	ARG	1	0.844	0.919	56.575	0.024	0.024	0.000	0.000	0.000	0.000
652	A	683	ILE	0	0.017	0.025	50.771	0.000	0.000	0.000	0.000	0.000	0.000
653	A	684	ILE	0	-0.050	-0.001	51.841	-0.001	-0.001	0.000	0.000	0.000	0.000
654	A	685	ALA	0	-0.020	-0.013	52.925	-0.001	-0.001	0.000	0.000	0.000	0.000
655	A	686	GLU	-1	-0.868	-0.935	53.712	-0.023	-0.023	0.000	0.000	0.000	0.000
656	A	687	GLY	0	-0.020	-0.013	50.859	0.001	0.001	0.000	0.000	0.000	0.000
657	A	688	GLY	0	0.069	0.038	48.698	-0.001	-0.001	0.000	0.000	0.000	0.000
658	A	689	THR	0	0.058	0.026	46.789	-0.001	-0.001	0.000	0.000	0.000	0.000
659	A	690	VAL	0	-0.015	-0.009	45.308	-0.003	-0.003	0.000	0.000	0.000	0.000
660	A	691	LEU	0	0.019	0.011	43.644	-0.002	-0.002	0.000	0.000	0.000	0.000
661	A	692	CYS	0	-0.004	-0.012	42.470	-0.001	-0.001	0.000	0.000	0.000	0.000
662	A	693	LEU	0	0.034	0.026	40.522	-0.004	-0.004	0.000	0.000	0.000	0.000
663	A	694	ARG	1	0.791	0.900	39.523	0.033	0.033	0.000	0.000	0.000	0.000
664	A	695	LEU	0	-0.034	-0.018	38.121	-0.003	-0.003	0.000	0.000	0.000	0.000
665	A	696	THR	0	0.012	0.025	35.410	-0.002	-0.002	0.000	0.000	0.000	0.000
666	A	697	LYS	1	0.868	0.939	34.128	0.065	0.065	0.000	0.000	0.000	0.000
667	A	698	GLU	-1	-0.891	-0.967	33.296	-0.045	-0.045	0.000	0.000	0.000	0.000
668	A	699	ALA	0	0.005	0.010	33.733	0.002	0.002	0.000	0.000	0.000	0.000
669	A	700	SER	0	0.019	0.006	30.791	-0.003	-0.003	0.000	0.000	0.000	0.000
670	A	701	GLY	0	0.043	0.029	29.769	0.003	0.003	0.000	0.000	0.000	0.000
671	A	702	GLU	-1	-0.882	-0.956	30.654	-0.080	-0.080	0.000	0.000	0.000	0.000
672	A	703	GLY	0	0.020	0.006	33.482	0.002	0.002	0.000	0.000	0.000	0.000
673	A	704	LYS	1	0.866	0.948	29.804	0.090	0.090	0.000	0.000	0.000	0.000
674	A	705	ILE	0	0.010	0.007	31.792	0.001	0.001	0.000	0.000	0.000	0.000
675	A	706	LYS	1	0.895	0.951	35.727	0.057	0.057	0.000	0.000	0.000	0.000
676	A	707	ALA	0	0.012	0.008	38.467	0.003	0.003	0.000	0.000	0.000	0.000
677	A	708	GLY	0	0.069	0.027	38.669	0.002	0.002	0.000	0.000	0.000	0.000
678	A	709	HIS	0	0.008	0.016	39.957	0.004	0.004	0.000	0.000	0.000	0.000
679	A	710	ALA	0	0.051	0.020	41.871	0.002	0.002	0.000	0.000	0.000	0.000
680	A	711	ILE	0	-0.028	-0.014	41.123	0.003	0.003	0.000	0.000	0.000	0.000
681	A	712	ALA	0	-0.039	-0.016	43.029	0.002	0.002	0.000	0.000	0.000	0.000
682	A	713	LYS	1	0.924	0.991	44.955	0.050	0.050	0.000	0.000	0.000	0.000
683	A	714	LEU	0	-0.048	-0.020	47.416	0.004	0.004	0.000	0.000	0.000	0.000
684	A	715	GLY	0	-0.032	-0.026	48.379	0.002	0.002	0.000	0.000	0.000	0.000
685	A	716	ALA	0	0.089	0.033	49.087	-0.002	-0.002	0.000	0.000	0.000	0.000
686	A	717	LYS	1	0.932	0.990	51.547	0.045	0.045	0.000	0.000	0.000	0.000
687	A	718	ALA	0	-0.008	-0.013	53.639	0.003	0.003	0.000	0.000	0.000	0.000
688	A	719	ASP	-1	-0.846	-0.915	54.129	-0.046	-0.046	0.000	0.000	0.000	0.000
689	A	720	PRO	0	0.041	0.039	52.047	0.001	0.001	0.000	0.000	0.000	0.000
690	A	721	MET	0	0.005	-0.013	52.690	-0.001	-0.001	0.000	0.000	0.000	0.000
691	A	722	ILE	0	-0.079	-0.034	55.275	0.001	0.001	0.000	0.000	0.000	0.000
692	A	723	SER	0	0.000	-0.035	51.520	0.000	0.000	0.000	0.000	0.000	0.000
693	A	724	PHE	0	-0.044	-0.028	46.426	0.000	0.000	0.000	0.000	0.000	0.000
694	A	725	PRO	0	0.078	0.044	50.296	-0.002	-0.002	0.000	0.000	0.000	0.000
695	A	726	GLY	0	0.101	0.036	50.274	-0.002	-0.002	0.000	0.000	0.000	0.000
696	A	727	GLN	0	-0.071	-0.025	44.632	0.001	0.001	0.000	0.000	0.000	0.000
697	A	728	ARG	1	0.826	0.920	45.145	0.048	0.048	0.000	0.000	0.000	0.000
698	A	729	ALA	0	0.043	0.000	45.332	-0.003	-0.003	0.000	0.000	0.000	0.000
699	A	730	TYR	0	-0.016	-0.004	42.832	-0.004	-0.004	0.000	0.000	0.000	0.000
700	A	731	GLU	-1	-0.861	-0.954	40.299	-0.068	-0.068	0.000	0.000	0.000	0.000
701	A	732	VAL	0	-0.056	-0.011	40.165	-0.003	-0.003	0.000	0.000	0.000	0.000
702	A	733	VAL	0	0.056	0.004	39.342	0.001	0.001	0.000	0.000	0.000	0.000
703	A	734	LYS	1	0.942	0.974	32.053	0.133	0.133	0.000	0.000	0.000	0.000
704	A	735	PRO	0	0.067	0.036	35.998	-0.004	-0.004	0.000	0.000	0.000	0.000
705	A	736	LEU	0	0.016	0.020	36.905	-0.005	-0.005	0.000	0.000	0.000	0.000
706	A	737	CYS	0	-0.109	-0.058	36.993	0.002	0.002	0.000	0.000	0.000	0.000
707	A	738	ASP	-1	-0.885	-0.960	31.706	-0.146	-0.146	0.000	0.000	0.000	0.000
708	A	739	LEU	0	-0.124	-0.035	33.607	-0.003	-0.003	0.000	0.000	0.000	0.000
709	A	740	LEU	0	0.011	0.015	36.166	0.003	0.003	0.000	0.000	0.000	0.000
710	A	741	HIS	0	0.024	0.029	28.079	0.005	0.005	0.000	0.000	0.000	0.000
711	A	742	PRO	0	-0.110	-0.050	31.488	-0.002	-0.002	0.000	0.000	0.000	0.000
712	A	743	ASP	-1	-0.788	-0.919	33.415	-0.102	-0.102	0.000	0.000	0.000	0.000
713	A	744	VAL	0	-0.104	-0.027	31.664	0.002	0.002	0.000	0.000	0.000	0.000
714	A	745	GLU	-1	-0.875	-0.955	35.119	-0.074	-0.074	0.000	0.000	0.000	0.000
715	A	746	GLY	0	-0.026	0.017	37.318	-0.001	-0.001	0.000	0.000	0.000	0.000
716	A	747	LYS	1	0.831	0.904	33.742	0.099	0.099	0.000	0.000	0.000	0.000
717	A	748	ALA	0	0.054	0.022	40.120	0.004	0.004	0.000	0.000	0.000	0.000
718	A	749	ASN	0	0.016	0.030	38.801	-0.002	-0.002	0.000	0.000	0.000	0.000
719	A	750	TYR	0	0.052	0.001	42.099	0.000	0.000	0.000	0.000	0.000	0.000
720	A	751	ASP	-1	-0.884	-0.946	45.277	-0.055	-0.055	0.000	0.000	0.000	0.000
721	A	752	SER	0	-0.077	-0.043	41.138	0.001	0.001	0.000	0.000	0.000	0.000
722	A	753	LEU	0	0.053	0.025	42.787	0.000	0.000	0.000	0.000	0.000	0.000
723	A	754	LEU	0	0.010	0.029	45.919	0.001	0.001	0.000	0.000	0.000	0.000
724	A	755	THR	0	-0.026	-0.030	45.731	0.003	0.003	0.000	0.000	0.000	0.000
725	A	756	LEU	0	0.023	0.003	41.738	0.001	0.001	0.000	0.000	0.000	0.000
726	A	757	THR	0	-0.028	-0.030	46.296	-0.002	-0.002	0.000	0.000	0.000	0.000
727	A	758	ASN	0	-0.035	-0.019	49.384	0.001	0.001	0.000	0.000	0.000	0.000
728	A	759	LEU	0	-0.066	-0.021	45.319	0.002	0.002	0.000	0.000	0.000	0.000
729	A	760	ALA	0	-0.035	-0.036	47.554	0.001	0.001	0.000	0.000	0.000	0.000
730	A	761	SER	0	-0.005	0.022	49.166	0.001	0.001	0.000	0.000	0.000	0.000
731	A	762	VAL	0	0.012	0.008	52.966	0.000	0.000	0.000	0.000	0.000	0.000
732	A	763	SER	0	0.000	-0.018	50.681	-0.002	-0.002	0.000	0.000	0.000	0.000
733	A	764	ASP	-1	-0.782	-0.911	49.626	-0.068	-0.068	0.000	0.000	0.000	0.000
734	A	765	SER	0	-0.049	-0.020	46.562	-0.005	-0.005	0.000	0.000	0.000	0.000
735	A	766	ILE	0	-0.033	-0.009	45.354	-0.004	-0.004	0.000	0.000	0.000	0.000
736	A	767	ARG	1	0.974	0.986	44.747	0.061	0.061	0.000	0.000	0.000	0.000
737	A	768	GLY	0	-0.018	0.009	44.287	-0.005	-0.005	0.000	0.000	0.000	0.000
738	A	769	ARG	1	0.888	0.937	38.586	0.085	0.085	0.000	0.000	0.000	0.000
739	A	770	ILE	0	0.029	0.013	40.084	-0.006	-0.006	0.000	0.000	0.000	0.000
740	A	771	LEU	0	0.016	0.031	39.780	-0.006	-0.006	0.000	0.000	0.000	0.000
741	A	772	LYS	1	0.951	0.955	34.437	0.126	0.126	0.000	0.000	0.000	0.000
742	A	773	GLU	-1	-0.920	-0.968	34.948	-0.132	-0.132	0.000	0.000	0.000	0.000
743	A	774	LYS	1	0.915	0.971	29.131	0.199	0.199	0.000	0.000	0.000	0.000
744	A	775	ALA	0	0.061	0.016	35.212	-0.005	-0.005	0.000	0.000	0.000	0.000
745	A	776	ILE	0	0.036	-0.034	37.582	0.001	0.001	0.000	0.000	0.000	0.000
746	A	777	PRO	0	-0.039	-0.013	35.348	0.002	0.002	0.000	0.000	0.000	0.000
747	A	778	LYS	1	0.969	0.986	32.398	0.156	0.156	0.000	0.000	0.000	0.000
748	A	779	ILE	0	-0.051	0.051	37.662	0.004	0.004	0.000	0.000	0.000	0.000
749	A	780	GLU	-1	-0.838	-0.922	40.727	-0.110	-0.110	0.000	0.000	0.000	0.000
750	A	781	GLU	-1	-0.863	-0.948	36.241	-0.133	-0.133	0.000	0.000	0.000	0.000
751	A	782	PHE	0	-0.115	-0.048	39.660	0.005	0.005	0.000	0.000	0.000	0.000
752	A	783	TRP	0	0.019	-0.005	43.596	0.004	0.004	0.000	0.000	0.000	0.000
753	A	784	PHE	0	-0.015	0.000	41.085	0.004	0.004	0.000	0.000	0.000	0.000
754	A	785	MET	0	-0.040	-0.007	41.434	0.002	0.002	0.000	0.000	0.000	0.000
755	A	786	THR	0	0.036	0.001	45.552	0.001	0.001	0.000	0.000	0.000	0.000
756	A	787	ASP	-1	-0.938	-0.961	48.318	-0.057	-0.057	0.000	0.000	0.000	0.000
757	A	788	HIS	1	0.902	0.929	43.797	0.073	0.073	0.000	0.000	0.000	0.000
758	A	789	GLU	-1	-0.870	-0.928	48.586	-0.052	-0.052	0.000	0.000	0.000	0.000
759	A	790	HIS	0	0.025	0.030	50.008	-0.001	-0.001	0.000	0.000	0.000	0.000
760	A	791	LEU	0	-0.095	-0.060	43.821	0.000	0.000	0.000	0.000	0.000	0.000
761	A	792	ARG	1	0.983	0.981	46.391	0.069	0.069	0.000	0.000	0.000	0.000
762	A	793	ALA	0	0.014	0.011	48.722	-0.001	-0.001	0.000	0.000	0.000	0.000
763	A	794	ALA	0	0.040	0.026	47.703	0.001	0.001	0.000	0.000	0.000	0.000
764	A	795	ALA	0	0.023	-0.004	45.666	0.000	0.000	0.000	0.000	0.000	0.000
765	A	796	ALA	0	0.002	0.025	47.360	-0.001	-0.001	0.000	0.000	0.000	0.000
766	A	797	GLU	-1	-0.938	-0.986	50.799	-0.057	-0.057	0.000	0.000	0.000	0.000
767	A	798	LEU	0	-0.052	0.005	44.735	0.001	0.001	0.000	0.000	0.000	0.000
768	A	799	LEU	0	0.005	-0.021	45.030	-0.001	-0.001	0.000	0.000	0.000	0.000
769	A	800	LEU	0	-0.016	0.017	48.818	0.000	0.000	0.000	0.000	0.000	0.000
770	A	801	ASN	0	-0.012	-0.041	51.498	0.002	0.002	0.000	0.000	0.000	0.000
771	A	802	LEU	0	-0.066	-0.025	44.207	-0.001	-0.001	0.000	0.000	0.000	0.000
772	A	803	LEU	0	-0.008	0.009	47.630	-0.003	-0.003	0.000	0.000	0.000	0.000
773	A	804	PHE	0	-0.052	0.009	49.934	0.002	0.002	0.000	0.000	0.000	0.000
774	A	805	PHE	0	-0.082	-0.078	51.402	0.003	0.003	0.000	0.000	0.000	0.000
775	A	806	GLU	-1	-0.870	-0.937	49.532	-0.075	-0.075	0.000	0.000	0.000	0.000
776	A	807	LYS	1	0.896	0.982	44.600	0.075	0.075	0.000	0.000	0.000	0.000
777	A	808	PHE	0	0.028	-0.021	42.730	-0.004	-0.004	0.000	0.000	0.000	0.000
778	A	809	TYR	0	0.007	0.008	46.084	0.000	0.000	0.000	0.000	0.000	0.000
779	A	810	GLU	-1	-0.911	-0.965	48.203	-0.080	-0.080	0.000	0.000	0.000	0.000
780	A	811	GLU	-1	-0.975	-0.983	42.107	-0.117	-0.117	0.000	0.000	0.000	0.000
781	A	812	THR	0	-0.064	-0.048	45.253	-0.002	-0.002	0.000	0.000	0.000	0.000
782	A	813	VAL	0	0.002	0.010	47.601	0.002	0.002	0.000	0.000	0.000	0.000
783	A	814	ALA	0	-0.017	-0.012	48.122	0.001	0.001	0.000	0.000	0.000	0.000
784	A	815	PRO	0	-0.064	-0.021	43.259	0.000	0.000	0.000	0.000	0.000	0.000
785	A	816	GLY	0	0.049	0.025	45.185	-0.001	-0.001	0.000	0.000	0.000	0.000
786	A	817	THR	0	-0.031	-0.008	42.352	-0.003	-0.003	0.000	0.000	0.000	0.000
787	A	818	ASP	-1	-0.868	-0.946	44.950	-0.092	-0.092	0.000	0.000	0.000	0.000
788	A	819	ARG	1	0.872	0.925	42.229	0.110	0.110	0.000	0.000	0.000	0.000
789	A	820	LEU	0	0.037	0.018	47.942	0.003	0.003	0.000	0.000	0.000	0.000
790	A	821	LYS	1	0.921	0.975	49.437	0.085	0.085	0.000	0.000	0.000	0.000
791	A	822	LEU	0	0.047	0.017	47.951	0.003	0.003	0.000	0.000	0.000	0.000
792	A	823	TRP	0	0.015	0.016	48.282	0.001	0.001	0.000	0.000	0.000	0.000
793	A	824	VAL	0	-0.041	-0.006	53.798	0.003	0.003	0.000	0.000	0.000	0.000
794	A	825	LEU	0	-0.030	-0.033	52.452	0.002	0.002	0.000	0.000	0.000	0.000
795	A	826	TYR	0	0.020	0.017	49.009	0.001	0.001	0.000	0.000	0.000	0.000
796	A	827	SER	0	-0.063	-0.022	55.635	0.002	0.002	0.000	0.000	0.000	0.000
797	A	828	ALA	0	-0.021	-0.046	58.505	0.002	0.002	0.000	0.000	0.000	0.000
798	A	829	GLU	-1	-1.014	-0.996	53.876	-0.063	-0.063	0.000	0.000	0.000	0.000
799	A	830	VAL	0	-0.029	-0.006	57.391	0.000	0.000	0.000	0.000	0.000	0.000
800	A	831	GLU	-1	-0.909	-0.961	56.920	-0.053	-0.053	0.000	0.000	0.000	0.000
801	A	832	GLU	-1	-0.905	-0.946	54.827	-0.057	-0.057	0.000	0.000	0.000	0.000
802	A	833	GLU	-1	-0.865	-0.965	58.470	-0.042	-0.042	0.000	0.000	0.000	0.000
803	A	834	ARG	1	1.022	1.022	56.143	0.046	0.046	0.000	0.000	0.000	0.000
804	A	835	LEU	0	0.013	0.018	51.522	-0.002	-0.002	0.000	0.000	0.000	0.000
805	A	836	SER	0	0.051	0.050	55.314	-0.002	-0.002	0.000	0.000	0.000	0.000
806	A	837	ARG	1	0.788	0.833	58.050	0.043	0.043	0.000	0.000	0.000	0.000
807	A	838	ALA	0	-0.001	0.030	54.503	0.000	0.000	0.000	0.000	0.000	0.000
808	A	839	SER	0	-0.016	-0.015	53.088	-0.001	-0.001	0.000	0.000	0.000	0.000
809	A	840	ALA	0	0.070	0.038	55.372	0.000	0.000	0.000	0.000	0.000	0.000
810	A	841	ALA	0	-0.044	-0.025	58.569	0.001	0.001	0.000	0.000	0.000	0.000
811	A	842	GLY	0	-0.028	-0.012	55.721	0.000	0.000	0.000	0.000	0.000	0.000
812	A	843	PHE	0	-0.040	0.017	56.123	-0.002	-0.002	0.000	0.000	0.000	0.000
813	A	844	ALA	0	-0.003	-0.009	58.663	0.000	0.000	0.000	0.000	0.000	0.000
814	A	845	ILE	0	-0.035	-0.019	57.119	0.000	0.000	0.000	0.000	0.000	0.000
815	A	846	LEU	0	-0.001	0.009	53.030	-0.001	-0.001	0.000	0.000	0.000	0.000
816	A	847	THR	0	-0.001	-0.031	56.929	-0.001	-0.001	0.000	0.000	0.000	0.000
817	A	848	GLU	-1	-1.063	-1.001	58.355	-0.057	-0.057	0.000	0.000	0.000	0.000
818	A	849	ASP	-1	-0.785	-0.900	55.450	-0.068	-0.068	0.000	0.000	0.000	0.000
819	A	850	GLU	-1	-0.942	-0.978	58.258	-0.055	-0.055	0.000	0.000	0.000	0.000
820	A	851	ASN	0	-0.066	-0.062	54.147	-0.002	-0.002	0.000	0.000	0.000	0.000
821	A	852	ALA	0	0.058	0.048	54.845	-0.002	-0.002	0.000	0.000	0.000	0.000
822	A	853	CYS	0	-0.068	-0.014	55.907	0.000	0.000	0.000	0.000	0.000	0.000
823	A	854	ALA	0	-0.052	-0.037	55.930	0.001	0.001	0.000	0.000	0.000	0.000
824	A	855	ARG	1	0.937	0.981	51.667	0.076	0.076	0.000	0.000	0.000	0.000
825	A	856	ILE	0	0.042	0.064	54.293	-0.001	-0.001	0.000	0.000	0.000	0.000
826	A	857	MET	0	-0.045	-0.022	56.538	0.000	0.000	0.000	0.000	0.000	0.000
827	A	858	ASP	-1	-0.954	-0.987	55.681	-0.069	-0.069	0.000	0.000	0.000	0.000
828	A	859	GLU	-1	-0.886	-0.933	50.864	-0.082	-0.082	0.000	0.000	0.000	0.000
829	A	860	ILE	0	-0.098	-0.016	54.868	-0.001	-0.001	0.000	0.000	0.000	0.000
830	A	861	LYS	1	0.950	0.954	52.787	0.076	0.076	0.000	0.000	0.000	0.000
831	A	862	SER	0	0.010	-0.032	58.263	0.000	0.000	0.000	0.000	0.000	0.000
832	A	863	TRP	0	0.040	0.045	60.141	0.002	0.002	0.000	0.000	0.000	0.000
833	A	864	PRO	0	-0.053	-0.015	61.324	0.001	0.001	0.000	0.000	0.000	0.000
834	A	865	GLU	-1	-0.954	-0.984	61.753	-0.050	-0.050	0.000	0.000	0.000	0.000
835	A	866	VAL	0	0.136	0.075	58.893	0.001	0.001	0.000	0.000	0.000	0.000
836	A	867	PHE	0	-0.009	-0.024	61.690	0.001	0.001	0.000	0.000	0.000	0.000
837	A	868	LYS	1	0.865	0.929	64.334	0.047	0.047	0.000	0.000	0.000	0.000
838	A	869	ASP	-1	-0.846	-0.922	62.973	-0.047	-0.047	0.000	0.000	0.000	0.000
839	A	870	ILE	0	-0.032	0.000	61.460	0.002	0.002	0.000	0.000	0.000	0.000
840	A	871	ALA	0	-0.041	0.004	64.664	0.001	0.001	0.000	0.000	0.000	0.000
841	A	872	MET	0	-0.082	-0.048	68.065	0.002	0.002	0.000	0.000	0.000	0.000
842	A	873	HIS	0	0.050	0.048	63.499	0.001	0.001	0.000	0.000	0.000	0.000
843	A	874	GLU	-1	-0.938	-0.988	66.002	-0.040	-0.040	0.000	0.000	0.000	0.000
844	A	875	ASP	-1	-0.688	-0.755	63.145	-0.044	-0.044	0.000	0.000	0.000	0.000
845	A	876	ALA	0	0.091	0.029	66.286	-0.001	-0.001	0.000	0.000	0.000	0.000
846	A	877	GLU	-1	-0.890	-0.937	64.603	-0.042	-0.042	0.000	0.000	0.000	0.000
847	A	878	THR	0	-0.095	-0.128	62.006	-0.002	-0.002	0.000	0.000	0.000	0.000
848	A	879	GLN	0	0.021	0.035	64.208	0.000	0.000	0.000	0.000	0.000	0.000
849	A	880	ARG	1	0.782	0.883	66.826	0.041	0.041	0.000	0.000	0.000	0.000
850	A	881	ARG	1	0.850	0.905	60.584	0.048	0.048	0.000	0.000	0.000	0.000
851	A	882	GLY	0	0.095	0.041	62.900	-0.001	-0.001	0.000	0.000	0.000	0.000
852	A	883	LEU	0	-0.020	-0.043	63.947	-0.001	-0.001	0.000	0.000	0.000	0.000
853	A	884	MET	0	0.017	0.018	65.245	-0.001	-0.001	0.000	0.000	0.000	0.000
854	A	885	GLY	0	0.012	0.002	62.503	-0.001	-0.001	0.000	0.000	0.000	0.000
855	A	886	ILE	0	0.036	0.019	62.946	-0.001	-0.001	0.000	0.000	0.000	0.000
856	A	887	ALA	0	-0.060	-0.031	64.914	0.000	0.000	0.000	0.000	0.000	0.000
857	A	888	ASN	0	-0.053	-0.041	64.131	0.002	0.002	0.000	0.000	0.000	0.000
858	A	889	ILE	0	0.032	-0.005	61.110	-0.001	-0.001	0.000	0.000	0.000	0.000
859	A	890	MET	0	-0.064	-0.007	63.905	-0.001	-0.001	0.000	0.000	0.000	0.000
860	A	891	HIS	0	-0.064	-0.024	66.829	0.002	0.002	0.000	0.000	0.000	0.000
861	A	892	SER	0	0.005	0.006	63.918	0.001	0.001	0.000	0.000	0.000	0.000
862	A	893	SER	0	0.053	0.042	62.910	-0.001	-0.001	0.000	0.000	0.000	0.000
863	A	894	ASN	0	0.058	-0.005	65.703	0.001	0.001	0.000	0.000	0.000	0.000
864	A	895	LYS	1	0.879	0.953	61.723	0.058	0.058	0.000	0.000	0.000	0.000
865	A	896	LEU	0	0.088	0.032	61.971	0.000	0.000	0.000	0.000	0.000	0.000
866	A	897	CYS	0	-0.016	-0.011	66.095	0.001	0.001	0.000	0.000	0.000	0.000
867	A	898	SER	0	-0.091	-0.051	69.430	0.002	0.002	0.000	0.000	0.000	0.000
868	A	899	GLU	-1	-0.910	-0.926	65.614	-0.048	-0.048	0.000	0.000	0.000	0.000
869	A	900	ILE	0	-0.022	-0.018	68.957	0.000	0.000	0.000	0.000	0.000	0.000
870	A	901	VAL	0	0.006	-0.013	69.214	0.001	0.001	0.000	0.000	0.000	0.000
871	A	902	SER	0	-0.065	-0.020	70.124	-0.001	-0.001	0.000	0.000	0.000	0.000
872	A	903	SER	0	0.044	-0.005	68.766	0.001	0.001	0.000	0.000	0.000	0.000
873	A	904	GLU	-1	-0.942	-0.983	71.153	-0.036	-0.036	0.000	0.000	0.000	0.000
874	A	905	VAL	0	-0.005	-0.004	74.298	0.001	0.001	0.000	0.000	0.000	0.000
875	A	906	PHE	0	0.077	0.047	69.030	0.001	0.001	0.000	0.000	0.000	0.000
876	A	907	ARG	1	0.898	0.891	72.932	0.039	0.039	0.000	0.000	0.000	0.000
877	A	908	VAL	0	0.003	0.022	75.118	0.001	0.001	0.000	0.000	0.000	0.000
878	A	909	LEU	0	0.025	0.012	75.909	0.001	0.001	0.000	0.000	0.000	0.000
879	A	910	VAL	0	-0.165	-0.054	73.982	0.001	0.001	0.000	0.000	0.000	0.000
880	A	911	ALA	0	0.110	0.024	76.989	0.000	0.000	0.000	0.000	0.000	0.000
881	A	912	VAL	0	-0.044	-0.021	80.196	0.001	0.001	0.000	0.000	0.000	0.000
882	A	913	THR	0	0.034	0.005	81.718	0.001	0.001	0.000	0.000	0.000	0.000
883	A	914	LYS	1	0.923	0.978	76.709	0.032	0.032	0.000	0.000	0.000	0.000
884	A	915	LEU	0	0.015	0.044	77.822	0.000	0.000	0.000	0.000	0.000	0.000
885	A	916	GLY	0	0.014	-0.016	75.008	0.000	0.000	0.000	0.000	0.000	0.000
886	A	917	THR	0	0.053	0.015	72.717	0.000	0.000	0.000	0.000	0.000	0.000
887	A	918	ILE	0	-0.025	0.009	70.244	0.000	0.000	0.000	0.000	0.000	0.000
888	A	919	ASN	0	0.008	-0.036	72.517	0.000	0.000	0.000	0.000	0.000	0.000
889	A	920	GLN	0	-0.044	-0.012	73.004	0.001	0.001	0.000	0.000	0.000	0.000
890	A	921	GLU	-1	-0.829	-0.912	68.692	-0.041	-0.041	0.000	0.000	0.000	0.000
891	A	922	ARG	1	0.697	0.902	70.776	0.038	0.038	0.000	0.000	0.000	0.000
892	A	923	ALA	0	-0.052	-0.039	73.349	0.000	0.000	0.000	0.000	0.000	0.000
893	A	924	GLY	0	0.064	0.029	72.300	0.000	0.000	0.000	0.000	0.000	0.000
894	A	925	SER	0	0.080	0.032	70.689	-0.001	-0.001	0.000	0.000	0.000	0.000
895	A	926	THR	0	-0.137	-0.072	72.130	0.000	0.000	0.000	0.000	0.000	0.000
896	A	927	GLU	-1	-0.762	-0.851	74.480	-0.034	-0.034	0.000	0.000	0.000	0.000
897	A	928	GLN	0	-0.007	0.012	68.697	0.000	0.000	0.000	0.000	0.000	0.000
898	A	929	ALA	0	0.002	-0.004	73.170	-0.001	-0.001	0.000	0.000	0.000	0.000
899	A	930	LYS	1	0.738	0.858	75.872	0.034	0.034	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:5:VAL)