FMO DATABASE

FMODB ID: 8934Y

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	OptHSide
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	899
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-24300858.041323
FMO2-HF: Nuclear repulsion	23944108.155468
FMO2-HF: Total energy	-356749.885856
FMO2-MP2: Total energy	-357778.701598

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.
-5.482	-2.553	0.036	-1.291	-1.673	0

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 : -0.032 / q_NPA : -0.025

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

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

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

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

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].
3	A	7	THR	0	-0.051	-0.020	3.433	-0.486	2.351	0.037	-1.268	-1.606
4	A	8	ALA	0	0.093	0.030	4.277	0.190	0.273	0.000	-0.020	-0.063
5	A	9	GLU	-1	-0.851	-0.930	7.785	-0.631	-0.631	0.000	0.000	0.000
6	A	10	GLU	-1	-0.872	-0.933	4.923	-3.584	-3.575	-0.001	-0.003	-0.004
7	A	11	ILE	0	0.033	0.041	7.957	0.174	0.174	0.000	0.000	0.000
8	A	12	ARG	1	0.736	0.844	9.676	0.933	0.933	0.000	0.000	0.000
9	A	13	ASP	-1	-0.874	-0.922	12.555	-0.684	-0.684	0.000	0.000	0.000
10	A	14	GLU	-1	-0.896	-0.955	10.814	-1.330	-1.330	0.000	0.000	0.000
11	A	15	GLY	0	0.032	0.015	13.839	0.098	0.098	0.000	0.000	0.000
12	A	16	ASN	0	-0.075	-0.046	16.246	0.047	0.047	0.000	0.000	0.000
13	A	17	ALA	0	-0.035	-0.013	17.443	0.070	0.070	0.000	0.000	0.000
14	A	18	ALA	0	0.088	0.047	18.272	0.050	0.050	0.000	0.000	0.000
15	A	19	VAL	0	-0.078	-0.044	19.991	0.057	0.057	0.000	0.000	0.000
16	A	20	LYS	1	0.886	0.942	20.858	0.434	0.434	0.000	0.000	0.000
17	A	21	ASP	-1	-0.859	-0.917	20.925	-0.412	-0.412	0.000	0.000	0.000
18	A	22	GLN	0	-0.082	-0.052	24.234	0.032	0.032	0.000	0.000	0.000
19	A	23	ASP	-1	-0.869	-0.922	22.741	-0.272	-0.272	0.000	0.000	0.000
20	A	24	TYR	0	0.025	-0.032	22.271	-0.022	-0.022	0.000	0.000	0.000
21	A	25	ILE	0	0.032	0.021	21.880	-0.007	-0.007	0.000	0.000	0.000
22	A	26	LYS	1	0.960	0.995	17.998	0.429	0.429	0.000	0.000	0.000
23	A	27	ALA	0	0.029	0.028	17.683	-0.042	-0.042	0.000	0.000	0.000
24	A	28	ASP	-1	-0.791	-0.875	18.267	-0.274	-0.274	0.000	0.000	0.000
25	A	29	GLU	-1	-0.816	-0.897	16.548	-0.293	-0.293	0.000	0.000	0.000
26	A	30	LEU	0	0.030	0.017	12.976	-0.003	-0.003	0.000	0.000	0.000
27	A	31	TYR	0	-0.001	-0.030	13.670	-0.044	-0.044	0.000	0.000	0.000
28	A	32	THR	0	-0.015	0.001	14.902	0.013	0.013	0.000	0.000	0.000
29	A	33	GLU	-1	-0.954	-0.979	9.705	-0.609	-0.609	0.000	0.000	0.000
30	A	34	ALA	0	-0.030	-0.024	10.410	-0.038	-0.038	0.000	0.000	0.000
31	A	35	LEU	0	-0.074	-0.059	10.774	-0.001	-0.001	0.000	0.000	0.000
32	A	36	GLN	0	-0.070	-0.031	10.946	0.038	0.038	0.000	0.000	0.000
33	A	37	LEU	0	-0.016	0.002	5.684	0.108	0.108	0.000	0.000	0.000
34	A	38	THR	0	-0.064	-0.021	8.420	0.105	0.105	0.000	0.000	0.000
35	A	39	THR	0	0.010	-0.023	10.860	0.066	0.066	0.000	0.000	0.000
36	A	40	ASP	-1	-0.958	-1.006	13.801	-0.064	-0.064	0.000	0.000	0.000
37	A	41	GLU	-1	-0.820	-0.896	12.046	-0.105	-0.105	0.000	0.000	0.000
38	A	42	ASP	-1	-0.777	-0.849	11.196	-0.436	-0.436	0.000	0.000	0.000
39	A	43	LYS	1	0.755	0.860	14.349	0.066	0.066	0.000	0.000	0.000
40	A	44	ALA	0	0.043	0.027	17.859	-0.012	-0.012	0.000	0.000	0.000
41	A	45	LEU	0	0.018	0.009	10.967	0.017	0.017	0.000	0.000	0.000
42	A	46	ARG	1	0.910	0.960	14.269	0.188	0.188	0.000	0.000	0.000
43	A	47	PRO	0	0.000	0.006	17.188	-0.011	-0.011	0.000	0.000	0.000
44	A	48	VAL	0	-0.030	-0.007	16.979	0.016	0.016	0.000	0.000	0.000
45	A	49	LEU	0	0.082	0.035	13.260	0.004	0.004	0.000	0.000	0.000
46	A	50	TYR	0	-0.058	-0.028	17.949	0.008	0.008	0.000	0.000	0.000
47	A	51	ARG	1	0.835	0.886	21.065	0.257	0.257	0.000	0.000	0.000
48	A	52	ASN	0	-0.065	-0.019	19.096	-0.019	-0.019	0.000	0.000	0.000
49	A	53	ARG	1	0.868	0.904	19.022	0.257	0.257	0.000	0.000	0.000
50	A	54	ALA	0	0.005	0.007	21.340	0.017	0.017	0.000	0.000	0.000
51	A	55	MET	0	-0.063	-0.055	24.408	0.019	0.019	0.000	0.000	0.000
52	A	56	ALA	0	0.025	0.024	22.548	0.011	0.011	0.000	0.000	0.000
53	A	57	ARG	1	0.776	0.878	21.962	0.227	0.227	0.000	0.000	0.000
54	A	58	LEU	0	-0.052	-0.026	26.221	0.014	0.014	0.000	0.000	0.000
55	A	59	LYS	1	0.909	0.957	27.527	0.198	0.198	0.000	0.000	0.000
56	A	60	ARG	1	0.804	0.914	22.834	0.215	0.215	0.000	0.000	0.000
57	A	61	ASP	-1	-0.902	-0.959	28.946	-0.124	-0.124	0.000	0.000	0.000
58	A	62	ASP	-1	-0.762	-0.861	26.598	-0.133	-0.133	0.000	0.000	0.000
59	A	63	PHE	0	0.046	0.002	29.018	-0.009	-0.009	0.000	0.000	0.000
60	A	64	GLU	-1	-0.776	-0.874	30.573	-0.082	-0.082	0.000	0.000	0.000
61	A	65	GLY	0	-0.007	0.001	26.928	0.003	0.003	0.000	0.000	0.000
62	A	66	ALA	0	0.000	-0.005	26.651	-0.007	-0.007	0.000	0.000	0.000
63	A	67	GLN	0	0.025	-0.003	27.767	-0.001	-0.001	0.000	0.000	0.000
64	A	68	SER	0	-0.012	-0.003	25.478	0.006	0.006	0.000	0.000	0.000
65	A	69	ASP	-1	-0.764	-0.886	22.118	-0.212	-0.212	0.000	0.000	0.000
66	A	70	CYS	0	-0.038	-0.017	24.955	-0.007	-0.007	0.000	0.000	0.000
67	A	71	THR	0	-0.014	-0.014	27.404	0.002	0.002	0.000	0.000	0.000
68	A	72	LYS	1	0.873	0.961	21.300	0.153	0.153	0.000	0.000	0.000
69	A	73	ALA	0	-0.032	-0.010	24.034	-0.003	-0.003	0.000	0.000	0.000
70	A	74	LEU	0	-0.082	-0.048	25.010	0.003	0.003	0.000	0.000	0.000
71	A	75	GLU	-1	-0.981	-0.976	25.927	-0.084	-0.084	0.000	0.000	0.000
72	A	76	PHE	0	-0.071	-0.025	22.261	0.004	0.004	0.000	0.000	0.000
73	A	77	ASP	-1	-0.841	-0.926	25.890	-0.138	-0.138	0.000	0.000	0.000
74	A	78	GLY	0	-0.003	-0.006	27.937	-0.005	-0.005	0.000	0.000	0.000
75	A	79	ALA	0	-0.026	-0.018	30.599	0.004	0.004	0.000	0.000	0.000
76	A	80	ASP	-1	-0.735	-0.862	25.342	-0.211	-0.211	0.000	0.000	0.000
77	A	81	VAL	0	0.030	0.018	28.768	-0.002	-0.002	0.000	0.000	0.000
78	A	82	LYS	1	0.882	0.941	26.410	0.188	0.188	0.000	0.000	0.000
79	A	83	ALA	0	0.011	0.018	27.108	0.000	0.000	0.000	0.000	0.000
80	A	84	LEU	0	0.023	0.008	28.663	0.005	0.005	0.000	0.000	0.000
81	A	85	PHE	0	-0.006	0.007	31.457	0.005	0.005	0.000	0.000	0.000
82	A	86	ARG	1	0.926	0.971	24.982	0.232	0.232	0.000	0.000	0.000
83	A	87	ARG	1	0.856	0.886	31.200	0.111	0.111	0.000	0.000	0.000
84	A	88	SER	0	-0.062	-0.033	32.243	0.010	0.010	0.000	0.000	0.000
85	A	89	LEU	0	0.041	0.013	33.763	0.005	0.005	0.000	0.000	0.000
86	A	90	ALA	0	-0.017	0.004	31.895	0.003	0.003	0.000	0.000	0.000
87	A	91	ARG	1	0.880	0.925	34.005	0.097	0.097	0.000	0.000	0.000
88	A	92	GLU	-1	-0.869	-0.925	36.808	-0.093	-0.093	0.000	0.000	0.000
89	A	93	GLN	0	-0.022	0.000	36.208	0.008	0.008	0.000	0.000	0.000
90	A	94	LEU	0	-0.062	-0.009	33.926	0.004	0.004	0.000	0.000	0.000
91	A	95	GLY	0	0.033	0.017	38.335	0.005	0.005	0.000	0.000	0.000
92	A	96	ASN	0	-0.074	-0.040	39.349	0.004	0.004	0.000	0.000	0.000
93	A	97	VAL	0	0.080	0.004	40.987	-0.002	-0.002	0.000	0.000	0.000
94	A	98	GLY	0	0.002	0.004	42.933	0.000	0.000	0.000	0.000	0.000
95	A	99	PRO	0	-0.037	-0.013	39.382	-0.001	-0.001	0.000	0.000	0.000
96	A	100	ALA	0	0.053	0.043	38.697	-0.004	-0.004	0.000	0.000	0.000
97	A	101	PHE	0	0.044	0.015	39.301	-0.005	-0.005	0.000	0.000	0.000
98	A	102	GLN	0	-0.049	-0.046	41.064	-0.004	-0.004	0.000	0.000	0.000
99	A	103	ASP	-1	-0.751	-0.821	35.730	-0.099	-0.099	0.000	0.000	0.000
100	A	104	ALA	0	0.040	0.008	37.182	-0.005	-0.005	0.000	0.000	0.000
101	A	105	LYS	1	0.834	0.929	38.527	0.075	0.075	0.000	0.000	0.000
102	A	106	GLU	-1	-0.832	-0.920	37.888	-0.083	-0.083	0.000	0.000	0.000
103	A	107	ALA	0	0.038	0.040	35.508	-0.002	-0.002	0.000	0.000	0.000
104	A	108	LEU	0	0.075	0.043	36.695	-0.004	-0.004	0.000	0.000	0.000
105	A	109	ARG	1	0.818	0.903	38.388	0.087	0.087	0.000	0.000	0.000
106	A	110	LEU	0	-0.035	-0.029	34.263	0.004	0.004	0.000	0.000	0.000
107	A	111	SER	0	-0.080	-0.037	34.883	-0.008	-0.008	0.000	0.000	0.000
108	A	112	PRO	0	-0.029	-0.018	37.020	0.000	0.000	0.000	0.000	0.000
109	A	113	ASN	0	-0.022	-0.003	39.640	0.005	0.005	0.000	0.000	0.000
110	A	114	ASP	-1	-0.809	-0.927	34.674	-0.150	-0.150	0.000	0.000	0.000
111	A	115	LYS	1	0.939	0.956	38.180	0.118	0.118	0.000	0.000	0.000
112	A	116	GLY	0	0.046	0.048	36.369	0.004	0.004	0.000	0.000	0.000
113	A	117	ILE	0	0.003	-0.006	35.135	0.005	0.005	0.000	0.000	0.000
114	A	118	VAL	0	-0.017	-0.012	38.094	0.006	0.006	0.000	0.000	0.000
115	A	119	GLU	-1	-0.906	-0.936	40.072	-0.108	-0.108	0.000	0.000	0.000
116	A	120	VAL	0	0.006	0.010	37.281	0.003	0.003	0.000	0.000	0.000
117	A	121	LEU	0	-0.020	-0.004	40.717	0.006	0.006	0.000	0.000	0.000
118	A	122	GLN	0	-0.018	-0.009	43.137	0.006	0.006	0.000	0.000	0.000
119	A	123	ARG	1	0.858	0.896	38.840	0.107	0.107	0.000	0.000	0.000
120	A	124	LEU	0	-0.009	-0.031	39.857	0.005	0.005	0.000	0.000	0.000
121	A	125	VAL	0	-0.011	0.007	44.451	0.004	0.004	0.000	0.000	0.000
122	A	126	LYS	1	0.852	0.928	47.873	0.062	0.062	0.000	0.000	0.000
123	A	127	ALA	0	0.061	0.037	45.985	0.002	0.002	0.000	0.000	0.000
124	A	128	ASN	0	0.016	-0.023	45.726	0.004	0.004	0.000	0.000	0.000
125	A	129	ASN	0	-0.032	-0.002	48.997	0.003	0.003	0.000	0.000	0.000
126	A	130	ASP	-1	-0.852	-0.924	51.596	-0.051	-0.051	0.000	0.000	0.000
127	A	131	LYS	1	0.909	0.958	46.799	0.060	0.060	0.000	0.000	0.000
128	A	132	ILE	0	0.011	0.019	50.640	0.001	0.001	0.000	0.000	0.000
129	A	133	LYS	1	0.946	0.962	53.067	0.047	0.047	0.000	0.000	0.000
130	A	134	GLN	0	0.041	0.034	50.645	0.001	0.001	0.000	0.000	0.000
131	A	135	THR	0	-0.028	-0.012	49.179	0.001	0.001	0.000	0.000	0.000
132	A	136	THR	0	-0.033	-0.031	51.898	0.001	0.001	0.000	0.000	0.000
133	A	137	SER	0	0.033	0.028	54.931	0.002	0.002	0.000	0.000	0.000
134	A	138	LEU	0	-0.017	0.003	49.062	0.001	0.001	0.000	0.000	0.000
135	A	139	ALA	0	-0.004	-0.001	53.513	0.001	0.001	0.000	0.000	0.000
136	A	140	ASN	0	-0.030	-0.015	54.306	0.002	0.002	0.000	0.000	0.000
137	A	141	LYS	1	0.935	0.982	52.047	0.045	0.045	0.000	0.000	0.000
138	A	142	VAL	0	-0.017	-0.034	51.414	0.001	0.001	0.000	0.000	0.000
139	A	143	THR	0	-0.005	-0.004	54.521	0.002	0.002	0.000	0.000	0.000
140	A	144	ASP	-1	-0.842	-0.912	57.292	-0.026	-0.026	0.000	0.000	0.000
141	A	145	MET	0	-0.049	-0.025	54.186	0.001	0.001	0.000	0.000	0.000
142	A	146	GLU	-1	-0.907	-0.951	54.582	-0.023	-0.023	0.000	0.000	0.000
143	A	147	LYS	1	0.887	0.951	56.652	0.023	0.023	0.000	0.000	0.000
144	A	148	LEU	0	-0.027	-0.016	60.316	0.001	0.001	0.000	0.000	0.000
145	A	149	ALA	0	0.004	0.005	56.041	0.001	0.001	0.000	0.000	0.000
146	A	150	PHE	0	0.046	0.005	51.804	0.001	0.001	0.000	0.000	0.000
147	A	151	ARG	1	0.845	0.928	57.680	0.021	0.021	0.000	0.000	0.000
148	A	152	GLY	0	0.001	-0.020	60.437	0.001	0.001	0.000	0.000	0.000
149	A	153	GLU	-1	-0.926	-0.939	62.831	-0.018	-0.018	0.000	0.000	0.000
150	A	154	ALA	0	0.006	0.001	63.216	-0.001	-0.001	0.000	0.000	0.000
151	A	155	LYS	1	0.881	0.934	65.206	0.014	0.014	0.000	0.000	0.000
152	A	156	ASP	-1	-0.828	-0.920	66.582	-0.017	-0.017	0.000	0.000	0.000
153	A	157	THR	0	-0.018	-0.006	62.130	-0.001	-0.001	0.000	0.000	0.000
154	A	158	GLU	-1	-0.879	-0.938	61.810	-0.023	-0.023	0.000	0.000	0.000
155	A	159	GLN	0	-0.013	-0.009	61.210	-0.002	-0.002	0.000	0.000	0.000
156	A	160	LYS	1	0.827	0.904	58.576	0.015	0.015	0.000	0.000	0.000
157	A	161	MET	0	0.008	-0.001	54.981	-0.001	-0.001	0.000	0.000	0.000
158	A	162	THR	0	0.020	0.007	56.562	-0.002	-0.002	0.000	0.000	0.000
159	A	163	ALA	0	-0.018	0.027	56.664	-0.002	-0.002	0.000	0.000	0.000
160	A	164	LEU	0	0.023	-0.002	53.244	-0.002	-0.002	0.000	0.000	0.000
161	A	165	ASN	0	-0.002	-0.007	52.496	-0.003	-0.003	0.000	0.000	0.000
162	A	166	ASN	0	0.000	-0.002	52.100	-0.003	-0.003	0.000	0.000	0.000
163	A	167	LEU	0	-0.024	-0.016	51.511	-0.003	-0.003	0.000	0.000	0.000
164	A	168	LEU	0	-0.008	0.008	46.295	-0.002	-0.002	0.000	0.000	0.000
165	A	169	VAL	0	-0.019	-0.022	47.650	-0.003	-0.003	0.000	0.000	0.000
166	A	170	LEU	0	-0.052	-0.019	48.109	-0.003	-0.003	0.000	0.000	0.000
167	A	171	CYS	0	-0.030	-0.005	44.341	-0.002	-0.002	0.000	0.000	0.000
168	A	172	ARG	1	0.873	0.928	42.872	0.044	0.044	0.000	0.000	0.000
169	A	173	GLU	-1	-0.937	-0.940	43.465	-0.053	-0.053	0.000	0.000	0.000
170	A	174	SER	0	0.021	0.008	43.535	-0.003	-0.003	0.000	0.000	0.000
171	A	175	GLU	-1	-0.844	-0.932	37.610	-0.075	-0.075	0.000	0.000	0.000
172	A	176	SER	0	-0.050	-0.031	41.751	0.002	0.002	0.000	0.000	0.000
173	A	177	GLY	0	0.014	-0.001	44.790	0.003	0.003	0.000	0.000	0.000
174	A	178	ALA	0	0.080	0.040	42.370	0.004	0.004	0.000	0.000	0.000
175	A	179	THR	0	-0.079	-0.050	42.556	0.003	0.003	0.000	0.000	0.000
176	A	180	GLY	0	-0.018	0.000	44.389	0.003	0.003	0.000	0.000	0.000
177	A	181	VAL	0	0.047	0.018	47.483	0.003	0.003	0.000	0.000	0.000
178	A	182	TRP	0	-0.010	-0.015	42.296	0.002	0.002	0.000	0.000	0.000
179	A	183	ASN	0	0.007	0.008	46.378	0.002	0.002	0.000	0.000	0.000
180	A	184	GLN	0	-0.056	-0.047	45.917	0.003	0.003	0.000	0.000	0.000
181	A	185	GLY	0	0.019	0.022	46.012	0.002	0.002	0.000	0.000	0.000
182	A	186	ALA	0	-0.054	-0.026	46.627	0.003	0.003	0.000	0.000	0.000
183	A	187	LEU	0	0.012	0.021	46.210	0.001	0.001	0.000	0.000	0.000
184	A	188	VAL	0	0.024	0.002	44.889	0.001	0.001	0.000	0.000	0.000
185	A	189	PRO	0	0.015	0.019	47.901	0.002	0.002	0.000	0.000	0.000
186	A	190	PHE	0	0.002	0.008	51.129	0.002	0.002	0.000	0.000	0.000
187	A	191	VAL	0	0.074	0.048	48.032	0.001	0.001	0.000	0.000	0.000
188	A	192	LEU	0	-0.016	-0.014	47.103	0.002	0.002	0.000	0.000	0.000
189	A	193	ASN	0	-0.122	-0.077	50.929	0.003	0.003	0.000	0.000	0.000
190	A	194	LEU	0	0.029	0.022	53.338	0.001	0.001	0.000	0.000	0.000
191	A	195	ILE	0	-0.040	-0.015	48.084	0.001	0.001	0.000	0.000	0.000
192	A	196	ASN	0	-0.035	-0.030	52.420	0.003	0.003	0.000	0.000	0.000
193	A	197	ASP	-1	-0.813	-0.857	54.696	-0.007	-0.007	0.000	0.000	0.000
194	A	198	ALA	0	-0.023	-0.026	57.526	-0.001	-0.001	0.000	0.000	0.000
195	A	199	SER	0	-0.089	-0.066	59.084	0.000	0.000	0.000	0.000	0.000
196	A	200	GLU	-1	-0.787	-0.858	56.768	-0.015	-0.015	0.000	0.000	0.000
197	A	201	ASN	0	0.054	0.015	57.460	-0.001	-0.001	0.000	0.000	0.000
198	A	202	GLU	-1	-0.772	-0.879	51.780	-0.013	-0.013	0.000	0.000	0.000
199	A	203	GLU	-1	-0.887	-0.946	53.089	-0.023	-0.023	0.000	0.000	0.000
200	A	204	VAL	0	0.033	0.018	53.341	-0.002	-0.002	0.000	0.000	0.000
201	A	205	THR	0	-0.049	-0.014	50.833	-0.001	-0.001	0.000	0.000	0.000
202	A	206	VAL	0	0.017	0.006	48.234	-0.002	-0.002	0.000	0.000	0.000
203	A	207	THR	0	-0.031	-0.024	48.504	-0.003	-0.003	0.000	0.000	0.000
204	A	208	ALA	0	0.016	-0.006	48.974	-0.002	-0.002	0.000	0.000	0.000
205	A	209	ILE	0	-0.022	-0.012	45.042	-0.001	-0.001	0.000	0.000	0.000
206	A	210	ARG	1	0.886	0.925	44.594	0.025	0.025	0.000	0.000	0.000
207	A	211	ILE	0	-0.015	0.003	44.644	-0.004	-0.004	0.000	0.000	0.000
208	A	212	LEU	0	-0.013	-0.018	43.884	-0.002	-0.002	0.000	0.000	0.000
209	A	213	ASP	-1	-0.820	-0.886	39.863	-0.043	-0.043	0.000	0.000	0.000
210	A	214	GLU	-1	-0.781	-0.864	40.344	-0.061	-0.061	0.000	0.000	0.000
211	A	215	THR	0	-0.053	-0.039	40.133	-0.003	-0.003	0.000	0.000	0.000
212	A	216	ILE	0	-0.036	-0.017	38.599	-0.002	-0.002	0.000	0.000	0.000
213	A	217	LYS	1	0.872	0.928	35.634	0.062	0.062	0.000	0.000	0.000
214	A	218	ASN	0	-0.041	-0.011	34.373	0.000	0.000	0.000	0.000	0.000
215	A	219	SER	0	0.044	-0.005	31.090	0.006	0.006	0.000	0.000	0.000
216	A	220	VAL	0	-0.027	-0.010	33.149	0.007	0.007	0.000	0.000	0.000
217	A	221	ARG	1	0.819	0.904	35.400	0.062	0.062	0.000	0.000	0.000
218	A	222	CYS	0	-0.016	0.008	35.045	0.007	0.007	0.000	0.000	0.000
219	A	223	MET	0	0.029	0.024	31.502	0.006	0.006	0.000	0.000	0.000
220	A	224	LYS	1	0.903	0.961	35.653	0.031	0.031	0.000	0.000	0.000
221	A	225	PHE	0	0.017	-0.013	39.079	0.004	0.004	0.000	0.000	0.000
222	A	226	LEU	0	0.004	0.002	34.817	0.004	0.004	0.000	0.000	0.000
223	A	227	ALA	0	-0.008	-0.005	37.616	0.004	0.004	0.000	0.000	0.000
224	A	228	MET	0	-0.056	-0.016	39.589	0.000	0.000	0.000	0.000	0.000
225	A	229	HIS	0	-0.028	-0.007	42.492	0.001	0.001	0.000	0.000	0.000
226	A	230	ASP	-1	-0.766	-0.881	44.069	0.010	0.010	0.000	0.000	0.000
227	A	231	PRO	0	-0.040	-0.007	43.569	-0.001	-0.001	0.000	0.000	0.000
228	A	232	ASP	-1	-0.870	-0.941	41.916	0.018	0.018	0.000	0.000	0.000
229	A	233	GLY	0	0.032	0.007	38.428	0.000	0.000	0.000	0.000	0.000
230	A	234	PRO	0	-0.034	-0.022	38.131	-0.001	-0.001	0.000	0.000	0.000
231	A	235	LYS	1	0.859	0.909	39.155	-0.013	-0.013	0.000	0.000	0.000
232	A	236	SER	0	-0.031	-0.020	40.578	-0.002	-0.002	0.000	0.000	0.000
233	A	237	VAL	0	-0.016	-0.014	36.179	-0.003	-0.003	0.000	0.000	0.000
234	A	238	ARG	1	0.825	0.916	39.332	-0.022	-0.022	0.000	0.000	0.000
235	A	239	PHE	0	-0.019	-0.009	41.841	-0.001	-0.001	0.000	0.000	0.000
236	A	240	VAL	0	0.010	0.009	39.647	-0.001	-0.001	0.000	0.000	0.000
237	A	241	CYS	0	-0.007	0.007	38.382	-0.001	-0.001	0.000	0.000	0.000
238	A	242	ARG	1	0.780	0.851	40.769	-0.018	-0.018	0.000	0.000	0.000
239	A	243	LEU	0	0.017	0.017	44.031	0.000	0.000	0.000	0.000	0.000
240	A	244	MET	0	-0.026	-0.003	39.764	0.000	0.000	0.000	0.000	0.000
241	A	245	CYS	0	-0.040	-0.011	45.411	0.002	0.002	0.000	0.000	0.000
242	A	246	LYS	1	0.827	0.920	48.092	0.002	0.002	0.000	0.000	0.000
243	A	247	LYS	1	0.875	0.942	50.094	0.009	0.009	0.000	0.000	0.000
244	A	248	SER	0	0.007	-0.005	50.008	0.000	0.000	0.000	0.000	0.000
245	A	249	THR	0	-0.055	-0.035	50.830	0.001	0.001	0.000	0.000	0.000
246	A	250	LYS	1	0.880	0.922	43.776	0.009	0.009	0.000	0.000	0.000
247	A	251	ASP	-1	-0.800	-0.907	47.453	-0.021	-0.021	0.000	0.000	0.000
248	A	252	PHE	0	0.016	0.015	47.281	-0.002	-0.002	0.000	0.000	0.000
249	A	253	VAL	0	0.001	0.017	44.140	-0.001	-0.001	0.000	0.000	0.000
250	A	254	ASP	-1	-0.798	-0.887	42.978	-0.014	-0.014	0.000	0.000	0.000
251	A	255	ALA	0	-0.055	-0.032	42.447	-0.002	-0.002	0.000	0.000	0.000
252	A	256	THR	0	-0.005	-0.022	43.221	-0.002	-0.002	0.000	0.000	0.000
253	A	257	GLY	0	0.010	0.007	40.285	0.000	0.000	0.000	0.000	0.000
254	A	258	ILE	0	-0.020	-0.009	37.994	-0.001	-0.001	0.000	0.000	0.000
255	A	259	LEU	0	0.002	0.023	37.598	-0.003	-0.003	0.000	0.000	0.000
256	A	260	VAL	0	0.020	0.001	35.682	-0.001	-0.001	0.000	0.000	0.000
257	A	261	GLN	0	-0.041	-0.017	31.874	-0.005	-0.005	0.000	0.000	0.000
258	A	262	ARG	1	0.831	0.901	33.129	0.046	0.046	0.000	0.000	0.000
259	A	263	VAL	0	0.018	-0.005	33.294	-0.004	-0.004	0.000	0.000	0.000
260	A	264	PHE	0	0.005	0.004	29.517	0.001	0.001	0.000	0.000	0.000
261	A	265	ASN	0	-0.006	-0.011	29.214	0.001	0.001	0.000	0.000	0.000
262	A	266	ALA	0	-0.011	-0.010	28.876	-0.007	-0.007	0.000	0.000	0.000
263	A	267	MET	0	-0.062	-0.016	29.223	0.000	0.000	0.000	0.000	0.000
264	A	268	ALA	0	-0.026	-0.026	24.394	0.005	0.005	0.000	0.000	0.000
265	A	269	LYS	1	0.842	0.918	24.547	0.119	0.119	0.000	0.000	0.000
266	A	270	MET	0	0.013	0.031	24.771	-0.009	-0.009	0.000	0.000	0.000
267	A	271	ASP	-1	-0.862	-0.962	26.351	-0.070	-0.070	0.000	0.000	0.000
268	A	272	ARG	1	0.862	0.916	26.821	0.039	0.039	0.000	0.000	0.000
269	A	273	GLN	0	-0.101	-0.047	28.522	-0.002	-0.002	0.000	0.000	0.000
270	A	274	LYS	1	0.924	0.960	28.936	0.104	0.104	0.000	0.000	0.000
271	A	275	GLU	-1	-0.931	-0.949	24.831	-0.158	-0.158	0.000	0.000	0.000
272	A	276	MET	0	-0.093	-0.026	24.116	-0.018	-0.018	0.000	0.000	0.000
273	A	277	LYS	1	0.896	0.917	15.966	0.273	0.273	0.000	0.000	0.000
274	A	278	PRO	0	0.016	0.007	20.371	-0.005	-0.005	0.000	0.000	0.000
275	A	279	ASP	-1	-0.836	-0.900	19.869	-0.204	-0.204	0.000	0.000	0.000
276	A	280	PRO	0	0.009	-0.009	15.978	0.027	0.027	0.000	0.000	0.000
277	A	281	GLU	-1	-0.733	-0.844	18.233	-0.143	-0.143	0.000	0.000	0.000
278	A	282	VAL	0	-0.029	-0.006	20.091	0.018	0.018	0.000	0.000	0.000
279	A	283	ALA	0	0.044	0.015	21.917	0.015	0.015	0.000	0.000	0.000
280	A	284	GLU	-1	-0.867	-0.912	19.634	0.070	0.070	0.000	0.000	0.000
281	A	285	ALA	0	0.021	0.010	22.140	0.014	0.014	0.000	0.000	0.000
282	A	286	ASN	0	-0.076	-0.024	24.784	0.007	0.007	0.000	0.000	0.000
283	A	287	LYS	1	0.884	0.919	22.389	-0.060	-0.060	0.000	0.000	0.000
284	A	288	ILE	0	-0.054	-0.034	26.966	0.004	0.004	0.000	0.000	0.000
285	A	289	TRP	0	0.032	-0.005	30.225	0.003	0.003	0.000	0.000	0.000
286	A	290	ILE	0	0.090	0.056	26.461	0.001	0.001	0.000	0.000	0.000
287	A	291	ILE	0	-0.014	-0.013	27.666	0.004	0.004	0.000	0.000	0.000
288	A	292	ARG	1	0.885	0.964	30.538	-0.016	-0.016	0.000	0.000	0.000
289	A	293	VAL	0	0.045	0.031	32.666	0.001	0.001	0.000	0.000	0.000
290	A	294	LEU	0	0.019	0.017	27.729	0.001	0.001	0.000	0.000	0.000
291	A	295	LEU	0	-0.006	-0.011	32.475	0.002	0.002	0.000	0.000	0.000
292	A	296	GLU	-1	-0.776	-0.889	34.781	0.021	0.021	0.000	0.000	0.000
293	A	297	LEU	0	0.016	-0.005	34.207	-0.002	-0.002	0.000	0.000	0.000
294	A	298	GLN	0	-0.026	-0.009	33.227	0.004	0.004	0.000	0.000	0.000
295	A	299	GLU	-1	-0.862	-0.915	36.287	0.030	0.030	0.000	0.000	0.000
296	A	300	MET	0	-0.039	-0.023	39.484	-0.001	-0.001	0.000	0.000	0.000
297	A	301	LEU	0	-0.017	-0.012	35.500	-0.002	-0.002	0.000	0.000	0.000
298	A	302	GLN	0	-0.025	-0.009	40.150	0.001	0.001	0.000	0.000	0.000
299	A	303	ASP	-1	-0.820	-0.887	42.955	0.021	0.021	0.000	0.000	0.000
300	A	304	PRO	0	0.050	0.021	45.349	-0.003	-0.003	0.000	0.000	0.000
301	A	305	LYS	1	0.858	0.927	48.571	-0.018	-0.018	0.000	0.000	0.000
302	A	306	VAL	0	-0.035	-0.008	43.720	-0.003	-0.003	0.000	0.000	0.000
303	A	307	GLY	0	0.029	0.012	47.118	0.001	0.001	0.000	0.000	0.000
304	A	308	ALA	0	0.073	0.024	46.225	0.001	0.001	0.000	0.000	0.000
305	A	309	VAL	0	0.041	0.038	45.092	0.000	0.000	0.000	0.000	0.000
306	A	310	GLN	0	0.012	-0.014	43.557	0.001	0.001	0.000	0.000	0.000
307	A	311	ARG	1	0.792	0.901	41.876	-0.020	-0.020	0.000	0.000	0.000
308	A	312	GLU	-1	-0.746	-0.853	40.566	0.007	0.007	0.000	0.000	0.000
309	A	313	THR	0	0.010	0.003	39.272	-0.001	-0.001	0.000	0.000	0.000
310	A	314	CYS	0	-0.068	-0.057	37.774	-0.002	-0.002	0.000	0.000	0.000
311	A	315	ILE	0	0.003	0.013	35.434	0.003	0.003	0.000	0.000	0.000
312	A	316	ASP	-1	-0.820	-0.891	34.341	-0.002	-0.002	0.000	0.000	0.000
313	A	317	LEU	0	-0.063	-0.048	33.479	-0.004	-0.004	0.000	0.000	0.000
314	A	318	PHE	0	-0.016	-0.008	30.570	-0.001	-0.001	0.000	0.000	0.000
315	A	319	LEU	0	-0.001	-0.010	29.420	0.001	0.001	0.000	0.000	0.000
316	A	320	LYS	1	0.835	0.921	29.530	0.013	0.013	0.000	0.000	0.000
317	A	321	ASN	0	0.026	-0.001	27.596	-0.006	-0.006	0.000	0.000	0.000
318	A	322	LEU	0	-0.007	0.012	25.866	0.001	0.001	0.000	0.000	0.000
319	A	323	MET	0	0.009	0.005	24.315	0.010	0.010	0.000	0.000	0.000
320	A	324	HIS	0	0.067	0.063	16.817	0.020	0.020	0.000	0.000	0.000
321	A	325	MET	0	-0.117	-0.056	17.267	-0.023	-0.023	0.000	0.000	0.000
322	A	326	ASP	-1	-0.838	-0.901	20.602	-0.060	-0.060	0.000	0.000	0.000
323	A	327	GLY	0	0.007	0.013	22.575	0.001	0.001	0.000	0.000	0.000
324	A	328	GLY	0	-0.005	-0.001	23.829	-0.002	-0.002	0.000	0.000	0.000
325	A	329	ILE	0	-0.011	-0.018	22.668	-0.008	-0.008	0.000	0.000	0.000
326	A	330	PRO	0	0.025	0.023	18.662	0.001	0.001	0.000	0.000	0.000
327	A	331	ARG	1	0.923	0.937	12.326	-0.121	-0.121	0.000	0.000	0.000
328	A	332	GLY	0	0.020	0.011	18.105	0.009	0.009	0.000	0.000	0.000
329	A	333	TRP	0	-0.008	-0.005	19.652	0.016	0.016	0.000	0.000	0.000
330	A	334	SER	0	0.018	-0.022	22.238	0.016	0.016	0.000	0.000	0.000
331	A	335	TRP	0	-0.016	-0.026	15.327	0.022	0.022	0.000	0.000	0.000
332	A	336	LYS	1	0.862	0.923	23.112	-0.091	-0.091	0.000	0.000	0.000
333	A	337	PHE	0	0.001	0.014	25.289	-0.005	-0.005	0.000	0.000	0.000
334	A	338	VAL	0	0.023	-0.001	25.423	-0.004	-0.004	0.000	0.000	0.000
335	A	339	GLU	-1	-0.892	-0.938	22.803	0.219	0.219	0.000	0.000	0.000
336	A	340	GLU	-1	-0.835	-0.898	27.316	0.098	0.098	0.000	0.000	0.000
337	A	341	ARG	1	0.925	0.936	30.494	-0.080	-0.080	0.000	0.000	0.000
338	A	342	GLY	0	0.060	0.044	31.248	-0.006	-0.006	0.000	0.000	0.000
339	A	343	LEU	0	0.002	0.003	29.528	-0.006	-0.006	0.000	0.000	0.000
340	A	344	LEU	0	0.024	0.003	32.209	-0.005	-0.005	0.000	0.000	0.000
341	A	345	ALA	0	0.006	0.020	35.416	-0.004	-0.004	0.000	0.000	0.000
342	A	346	LEU	0	0.002	0.000	32.379	-0.005	-0.005	0.000	0.000	0.000
343	A	347	LEU	0	0.000	-0.013	34.221	-0.003	-0.003	0.000	0.000	0.000
344	A	348	ASP	-1	-0.830	-0.875	37.051	0.042	0.042	0.000	0.000	0.000
345	A	349	VAL	0	0.001	-0.005	39.216	-0.003	-0.003	0.000	0.000	0.000
346	A	350	ALA	0	-0.005	-0.003	38.142	-0.003	-0.003	0.000	0.000	0.000
347	A	351	SER	0	-0.062	-0.025	40.262	-0.001	-0.001	0.000	0.000	0.000
348	A	352	GLN	0	-0.020	-0.020	43.304	-0.002	-0.002	0.000	0.000	0.000
349	A	353	ILE	0	-0.002	0.010	45.655	-0.001	-0.001	0.000	0.000	0.000
350	A	354	PRO	0	-0.001	-0.009	48.168	0.000	0.000	0.000	0.000	0.000
351	A	355	GLU	-1	-0.887	-0.956	51.012	0.018	0.018	0.000	0.000	0.000
352	A	356	LEU	0	-0.030	-0.001	50.920	0.000	0.000	0.000	0.000	0.000
353	A	357	CYS	0	-0.059	-0.032	48.379	0.001	0.001	0.000	0.000	0.000
354	A	358	GLU	-1	-0.850	-0.907	46.812	0.038	0.038	0.000	0.000	0.000
355	A	359	TYR	0	-0.068	-0.080	42.780	-0.001	-0.001	0.000	0.000	0.000
356	A	360	PRO	0	-0.055	-0.015	47.561	0.000	0.000	0.000	0.000	0.000
357	A	361	VAL	0	0.054	0.035	45.035	0.000	0.000	0.000	0.000	0.000
358	A	362	SER	0	-0.070	-0.058	46.717	-0.001	-0.001	0.000	0.000	0.000
359	A	363	ALA	0	0.028	-0.004	46.819	0.001	0.001	0.000	0.000	0.000
360	A	364	GLU	-1	-0.846	-0.922	43.485	-0.002	-0.002	0.000	0.000	0.000
361	A	365	THR	0	-0.082	-0.061	42.407	0.001	0.001	0.000	0.000	0.000
362	A	366	ARG	1	0.953	0.999	41.404	-0.023	-0.023	0.000	0.000	0.000
363	A	367	GLN	0	0.048	0.012	39.541	0.005	0.005	0.000	0.000	0.000
364	A	368	HIS	1	0.781	0.835	37.659	0.002	0.002	0.000	0.000	0.000
365	A	369	VAL	0	0.036	0.021	36.418	0.001	0.001	0.000	0.000	0.000
366	A	370	ALA	0	-0.026	0.000	35.386	0.005	0.005	0.000	0.000	0.000
367	A	371	ILE	0	0.020	0.010	33.244	0.005	0.005	0.000	0.000	0.000
368	A	372	CYS	0	-0.036	0.010	31.506	0.003	0.003	0.000	0.000	0.000
369	A	373	LEU	0	0.035	0.009	30.507	0.007	0.007	0.000	0.000	0.000
370	A	374	GLN	0	-0.095	-0.044	29.707	0.002	0.002	0.000	0.000	0.000
371	A	375	ARG	0	0.099	0.063	26.254	0.009	0.009	0.000	0.000	0.000
372	A	376	LEU	0	-0.014	-0.013	25.848	0.006	0.006	0.000	0.000	0.000
373	A	377	GLU	-1	-0.863	-0.918	25.356	0.116	0.116	0.000	0.000	0.000
374	A	378	GLU	-1	-0.868	-0.943	23.958	0.030	0.030	0.000	0.000	0.000
375	A	379	ASP	-1	-0.819	-0.875	21.250	0.054	0.054	0.000	0.000	0.000
376	A	380	MET	0	-0.032	-0.020	21.293	0.024	0.024	0.000	0.000	0.000
377	A	381	VAL	0	-0.087	-0.055	16.511	0.038	0.038	0.000	0.000	0.000
378	A	382	PHE	0	0.014	0.021	12.001	0.033	0.033	0.000	0.000	0.000
379	A	383	ASP	-1	-0.827	-0.909	17.012	0.348	0.348	0.000	0.000	0.000
380	A	384	THR	0	-0.063	-0.046	17.047	-0.035	-0.035	0.000	0.000	0.000
381	A	385	LYS	1	0.897	0.932	19.157	-0.283	-0.283	0.000	0.000	0.000
382	A	386	ARG	1	0.868	0.927	20.860	-0.166	-0.166	0.000	0.000	0.000
383	A	387	THR	0	-0.043	-0.012	22.638	-0.018	-0.018	0.000	0.000	0.000
384	A	388	ILE	0	0.026	0.014	22.792	-0.021	-0.021	0.000	0.000	0.000
385	A	389	PHE	0	0.009	0.008	25.610	-0.017	-0.017	0.000	0.000	0.000
386	A	390	LYS	1	0.847	0.887	27.358	-0.138	-0.138	0.000	0.000	0.000
387	A	391	GLU	-1	-0.927	-0.966	27.273	0.178	0.178	0.000	0.000	0.000
388	A	392	LYS	1	0.893	0.964	28.455	-0.145	-0.145	0.000	0.000	0.000
389	A	393	VAL	0	-0.015	-0.002	31.322	-0.009	-0.009	0.000	0.000	0.000
390	A	394	ASP	-1	-0.785	-0.873	33.057	0.110	0.110	0.000	0.000	0.000
391	A	395	MET	0	-0.061	-0.031	34.247	-0.006	-0.006	0.000	0.000	0.000
392	A	396	PHE	0	-0.028	-0.024	35.912	-0.005	-0.005	0.000	0.000	0.000
393	A	397	PHE	0	0.039	0.009	37.485	-0.007	-0.007	0.000	0.000	0.000
394	A	398	ASN	0	-0.023	-0.010	37.766	-0.006	-0.006	0.000	0.000	0.000
395	A	399	ALA	0	0.021	-0.006	40.526	-0.005	-0.005	0.000	0.000	0.000
396	A	400	LEU	0	-0.022	0.004	41.910	-0.004	-0.004	0.000	0.000	0.000
397	A	401	ILE	0	0.094	0.044	43.391	-0.003	-0.003	0.000	0.000	0.000
398	A	402	SER	0	0.005	0.014	44.736	-0.002	-0.002	0.000	0.000	0.000
399	A	403	ARG	1	0.773	0.881	44.911	-0.057	-0.057	0.000	0.000	0.000
400	A	404	CYS	0	-0.047	0.016	47.831	-0.003	-0.003	0.000	0.000	0.000
401	A	405	THR	0	-0.047	-0.049	50.633	0.000	0.000	0.000	0.000	0.000
402	A	406	ASN	0	0.011	-0.012	54.006	-0.001	-0.001	0.000	0.000	0.000
403	A	407	ASP	-1	-0.786	-0.867	56.803	0.036	0.036	0.000	0.000	0.000
404	A	408	ASP	-1	-0.880	-0.953	57.086	0.029	0.029	0.000	0.000	0.000
405	A	409	GLU	-1	-0.889	-0.926	54.136	0.037	0.037	0.000	0.000	0.000
406	A	410	GLY	0	0.041	0.008	53.186	0.001	0.001	0.000	0.000	0.000
407	A	411	HIS	0	-0.007	-0.016	52.752	0.002	0.002	0.000	0.000	0.000
408	A	412	LYS	1	0.926	0.955	52.000	-0.033	-0.033	0.000	0.000	0.000
409	A	413	TYR	0	-0.043	-0.026	47.502	0.001	0.001	0.000	0.000	0.000
410	A	414	ARG	1	0.785	0.873	48.002	-0.037	-0.037	0.000	0.000	0.000
411	A	415	ILE	0	0.019	0.003	48.555	0.000	0.000	0.000	0.000	0.000
412	A	416	LYS	1	0.785	0.878	44.542	-0.043	-0.043	0.000	0.000	0.000
413	A	417	LEU	0	-0.040	-0.016	43.044	0.000	0.000	0.000	0.000	0.000
414	A	418	SER	0	0.041	0.040	44.013	0.002	0.002	0.000	0.000	0.000
415	A	419	CYS	0	0.016	0.025	44.112	-0.001	-0.001	0.000	0.000	0.000
416	A	420	PHE	0	0.007	-0.004	36.826	0.000	0.000	0.000	0.000	0.000
417	A	421	LEU	0	-0.051	-0.031	39.401	0.003	0.003	0.000	0.000	0.000
418	A	422	ILE	0	0.004	-0.001	40.287	-0.001	-0.001	0.000	0.000	0.000
419	A	423	THR	0	-0.032	-0.024	37.957	-0.003	-0.003	0.000	0.000	0.000
420	A	424	MET	0	-0.009	0.007	32.681	-0.003	-0.003	0.000	0.000	0.000
421	A	425	LEU	0	-0.028	0.005	35.631	0.004	0.004	0.000	0.000	0.000
422	A	426	GLN	0	-0.072	-0.041	37.384	-0.003	-0.003	0.000	0.000	0.000
423	A	427	GLY	0	0.032	0.025	34.406	-0.005	-0.005	0.000	0.000	0.000
424	A	428	PRO	0	0.003	0.021	30.451	-0.003	-0.003	0.000	0.000	0.000
425	A	429	VAL	0	0.014	0.001	31.869	0.009	0.009	0.000	0.000	0.000
426	A	430	ASP	-1	-0.920	-0.938	30.355	0.074	0.074	0.000	0.000	0.000
427	A	431	ILE	0	-0.045	-0.037	28.283	0.006	0.006	0.000	0.000	0.000
428	A	432	GLY	0	0.046	0.022	32.417	0.001	0.001	0.000	0.000	0.000
429	A	433	ILE	0	0.078	0.016	35.273	0.001	0.001	0.000	0.000	0.000
430	A	434	ASN	0	-0.098	-0.057	33.458	0.002	0.002	0.000	0.000	0.000
431	A	435	LEU	0	-0.052	-0.020	35.527	0.005	0.005	0.000	0.000	0.000
432	A	436	ILE	0	0.029	0.018	37.922	-0.001	-0.001	0.000	0.000	0.000
433	A	437	THR	0	-0.072	-0.011	38.391	-0.002	-0.002	0.000	0.000	0.000
434	A	438	ASN	0	0.011	-0.001	40.293	0.003	0.003	0.000	0.000	0.000
435	A	439	ASP	-1	-0.824	-0.893	42.155	0.054	0.054	0.000	0.000	0.000
436	A	440	GLN	0	-0.068	-0.050	43.354	-0.003	-0.003	0.000	0.000	0.000
437	A	441	LEU	0	0.016	-0.014	43.630	-0.002	-0.002	0.000	0.000	0.000
438	A	442	THR	0	0.034	0.008	46.385	-0.004	-0.004	0.000	0.000	0.000
439	A	443	PRO	0	-0.033	0.000	48.737	-0.003	-0.003	0.000	0.000	0.000
440	A	444	ILE	0	0.059	0.038	49.009	-0.002	-0.002	0.000	0.000	0.000
441	A	445	MET	0	-0.023	0.000	48.875	-0.003	-0.003	0.000	0.000	0.000
442	A	446	LEU	0	0.003	-0.018	50.924	-0.003	-0.003	0.000	0.000	0.000
443	A	447	GLU	-1	-0.865	-0.919	54.256	0.037	0.037	0.000	0.000	0.000
444	A	448	MET	0	-0.028	-0.020	50.626	-0.001	-0.001	0.000	0.000	0.000
445	A	449	ALA	0	-0.034	-0.008	54.196	-0.002	-0.002	0.000	0.000	0.000
446	A	450	ALA	0	-0.048	-0.030	55.915	-0.002	-0.002	0.000	0.000	0.000
447	A	451	SER	0	-0.012	0.006	58.489	-0.002	-0.002	0.000	0.000	0.000
448	A	452	GLN	0	-0.002	0.000	60.184	-0.002	-0.002	0.000	0.000	0.000
449	A	453	ASP	-1	-0.814	-0.900	57.162	0.024	0.024	0.000	0.000	0.000
450	A	454	HIS	0	0.036	-0.006	58.440	0.001	0.001	0.000	0.000	0.000
451	A	455	LEU	0	-0.015	0.012	53.428	0.000	0.000	0.000	0.000	0.000
452	A	456	MET	0	-0.064	-0.033	53.800	0.000	0.000	0.000	0.000	0.000
453	A	457	GLN	0	-0.028	-0.005	54.247	0.000	0.000	0.000	0.000	0.000
454	A	458	GLY	0	0.103	0.041	54.670	0.000	0.000	0.000	0.000	0.000
455	A	459	ILE	0	-0.075	-0.042	49.592	0.000	0.000	0.000	0.000	0.000
456	A	460	ALA	0	0.019	0.018	49.844	0.002	0.002	0.000	0.000	0.000
457	A	461	ALA	0	0.019	0.013	50.086	0.001	0.001	0.000	0.000	0.000
458	A	462	GLU	-1	-0.785	-0.899	47.281	0.021	0.021	0.000	0.000	0.000
459	A	463	LEU	0	-0.007	0.002	44.333	0.000	0.000	0.000	0.000	0.000
460	A	464	ILE	0	0.010	0.005	45.558	0.002	0.002	0.000	0.000	0.000
461	A	465	VAL	0	0.049	0.026	46.302	0.000	0.000	0.000	0.000	0.000
462	A	466	ALA	0	-0.049	-0.035	43.098	-0.002	-0.002	0.000	0.000	0.000
463	A	467	THR	0	-0.056	-0.048	42.312	0.004	0.004	0.000	0.000	0.000
464	A	468	VAL	0	-0.080	-0.036	42.952	0.001	0.001	0.000	0.000	0.000
465	A	469	SER	0	-0.079	-0.018	39.377	0.001	0.001	0.000	0.000	0.000
466	A	470	LYS	1	0.973	0.980	33.923	-0.038	-0.038	0.000	0.000	0.000
467	A	471	HIS	0	0.007	0.009	35.935	-0.006	-0.006	0.000	0.000	0.000
468	A	472	GLU	-1	-0.856	-0.943	39.880	0.040	0.040	0.000	0.000	0.000
469	A	473	ARG	1	0.887	0.950	33.227	-0.081	-0.081	0.000	0.000	0.000
470	A	474	ALA	0	0.080	0.021	39.943	0.003	0.003	0.000	0.000	0.000
471	A	475	ILE	0	-0.058	-0.008	41.792	-0.002	-0.002	0.000	0.000	0.000
472	A	476	ASN	0	-0.004	-0.024	44.325	-0.004	-0.004	0.000	0.000	0.000
473	A	477	MET	0	0.049	0.034	44.532	-0.004	-0.004	0.000	0.000	0.000
474	A	478	LEU	0	0.031	0.025	44.574	-0.003	-0.003	0.000	0.000	0.000
475	A	479	LYS	1	0.892	0.956	48.161	-0.035	-0.035	0.000	0.000	0.000
476	A	480	VAL	0	-0.001	-0.002	50.463	-0.003	-0.003	0.000	0.000	0.000
477	A	481	GLY	0	0.065	0.032	50.336	-0.002	-0.002	0.000	0.000	0.000
478	A	482	ILE	0	0.000	-0.013	48.740	-0.002	-0.002	0.000	0.000	0.000
479	A	483	PRO	0	-0.085	-0.053	52.336	-0.002	-0.002	0.000	0.000	0.000
480	A	484	VAL	0	0.042	0.026	53.995	-0.002	-0.002	0.000	0.000	0.000
481	A	485	LEU	0	0.009	0.021	51.316	-0.001	-0.001	0.000	0.000	0.000
482	A	486	ARG	1	0.901	0.940	54.873	-0.021	-0.021	0.000	0.000	0.000
483	A	487	ALA	0	-0.012	0.018	58.265	-0.001	-0.001	0.000	0.000	0.000
484	A	488	LEU	0	0.034	0.008	55.331	-0.001	-0.001	0.000	0.000	0.000
485	A	489	TYR	0	-0.015	0.003	57.769	-0.002	-0.002	0.000	0.000	0.000
486	A	490	ASP	-1	-0.912	-0.954	59.864	0.013	0.013	0.000	0.000	0.000
487	A	491	SER	0	-0.004	-0.006	61.495	-0.001	-0.001	0.000	0.000	0.000
488	A	492	GLU	-1	-0.906	-0.956	63.492	0.011	0.011	0.000	0.000	0.000
489	A	493	ASP	-1	-0.817	-0.887	60.919	0.013	0.013	0.000	0.000	0.000
490	A	494	PRO	0	0.021	0.007	61.254	0.000	0.000	0.000	0.000	0.000
491	A	495	THR	0	-0.104	-0.074	57.291	0.000	0.000	0.000	0.000	0.000
492	A	496	VAL	0	0.027	0.005	56.615	0.001	0.001	0.000	0.000	0.000
493	A	497	LYS	1	0.785	0.914	57.592	-0.011	-0.011	0.000	0.000	0.000
494	A	498	VAL	0	-0.029	-0.024	55.493	0.000	0.000	0.000	0.000	0.000
495	A	499	ARG	1	0.817	0.903	51.125	-0.017	-0.017	0.000	0.000	0.000
496	A	500	ALA	0	0.040	0.011	52.627	0.001	0.001	0.000	0.000	0.000
497	A	501	LEU	0	-0.056	-0.038	54.482	0.000	0.000	0.000	0.000	0.000
498	A	502	VAL	0	0.056	0.016	49.130	-0.001	-0.001	0.000	0.000	0.000
499	A	503	GLY	0	0.053	0.015	48.971	0.002	0.002	0.000	0.000	0.000
500	A	504	LEU	0	-0.099	-0.047	49.977	0.000	0.000	0.000	0.000	0.000
501	A	505	CYS	0	-0.030	-0.021	51.832	-0.002	-0.002	0.000	0.000	0.000
502	A	506	LYS	1	0.784	0.954	43.231	-0.019	-0.019	0.000	0.000	0.000
503	A	507	ILE	0	0.006	0.007	47.801	0.002	0.002	0.000	0.000	0.000
504	A	525	VAL	0	0.034	0.004	56.867	0.000	0.000	0.000	0.000	0.000
505	A	526	ILE	0	0.076	0.032	57.478	-0.001	-0.001	0.000	0.000	0.000
506	A	527	SER	0	-0.015	-0.010	60.101	-0.001	-0.001	0.000	0.000	0.000
507	A	528	LEU	0	0.044	0.028	55.231	0.000	0.000	0.000	0.000	0.000
508	A	529	ALA	0	0.091	0.036	57.591	0.000	0.000	0.000	0.000	0.000
509	A	530	LYS	1	0.904	0.949	58.629	-0.001	-0.001	0.000	0.000	0.000
510	A	531	THR	0	-0.037	-0.009	60.166	0.000	0.000	0.000	0.000	0.000
511	A	532	CYS	0	-0.009	-0.007	56.316	0.000	0.000	0.000	0.000	0.000
512	A	533	LYS	1	0.890	0.949	58.404	0.003	0.003	0.000	0.000	0.000
513	A	534	LYS	1	0.929	0.960	60.833	-0.004	-0.004	0.000	0.000	0.000
514	A	535	PHE	0	0.004	0.007	59.246	0.000	0.000	0.000	0.000	0.000
515	A	536	LEU	0	0.006	-0.009	55.598	0.000	0.000	0.000	0.000	0.000
516	A	537	LEU	0	-0.008	0.005	59.792	-0.001	-0.001	0.000	0.000	0.000
517	A	538	GLU	-1	-0.873	-0.877	63.123	0.000	0.000	0.000	0.000	0.000
518	A	539	THR	0	-0.008	-0.057	62.053	0.001	0.001	0.000	0.000	0.000
519	A	540	GLU	-1	-0.976	-0.985	62.782	-0.001	-0.001	0.000	0.000	0.000
520	A	541	LYS	1	0.814	0.893	64.873	0.000	0.000	0.000	0.000	0.000
521	A	542	TYR	0	0.043	0.031	61.087	0.001	0.001	0.000	0.000	0.000
522	A	543	SER	0	0.081	0.037	58.925	-0.001	-0.001	0.000	0.000	0.000
523	A	544	VAL	0	0.039	0.006	55.167	0.000	0.000	0.000	0.000	0.000
524	A	545	ASP	-1	-0.781	-0.888	51.678	0.011	0.011	0.000	0.000	0.000
525	A	546	ILE	0	0.030	0.030	53.847	0.001	0.001	0.000	0.000	0.000
526	A	547	ARG	1	0.867	0.920	55.245	0.000	0.000	0.000	0.000	0.000
527	A	548	ARG	1	0.879	0.958	46.680	-0.011	-0.011	0.000	0.000	0.000
528	A	549	TYR	0	0.014	-0.010	48.630	-0.002	-0.002	0.000	0.000	0.000
529	A	550	ALA	0	-0.025	0.001	52.186	0.000	0.000	0.000	0.000	0.000
530	A	551	CYS	0	-0.046	-0.006	50.839	-0.001	-0.001	0.000	0.000	0.000
531	A	552	GLU	-1	-0.825	-0.900	46.416	0.011	0.011	0.000	0.000	0.000
532	A	553	GLY	0	-0.001	0.002	49.360	0.000	0.000	0.000	0.000	0.000
533	A	554	LEU	0	0.014	-0.017	51.410	0.000	0.000	0.000	0.000	0.000
534	A	555	SER	0	-0.003	-0.010	47.020	-0.002	-0.002	0.000	0.000	0.000
535	A	556	TYR	0	-0.066	-0.063	44.177	-0.001	-0.001	0.000	0.000	0.000
536	A	557	LEU	0	-0.028	-0.006	48.688	0.000	0.000	0.000	0.000	0.000
537	A	558	SER	0	-0.006	0.002	50.210	-0.001	-0.001	0.000	0.000	0.000
538	A	559	LEU	0	0.034	0.014	45.616	-0.001	-0.001	0.000	0.000	0.000
539	A	560	ASP	-1	-0.876	-0.938	49.295	-0.005	-0.005	0.000	0.000	0.000
540	A	561	ALA	0	0.026	0.012	52.428	-0.001	-0.001	0.000	0.000	0.000
541	A	562	ASP	-1	-0.840	-0.911	54.402	-0.007	-0.007	0.000	0.000	0.000
542	A	563	VAL	0	-0.041	-0.025	53.986	0.000	0.000	0.000	0.000	0.000
543	A	564	LYS	1	0.828	0.913	49.371	0.012	0.012	0.000	0.000	0.000
544	A	565	GLU	-1	-0.799	-0.917	55.232	-0.014	-0.014	0.000	0.000	0.000
545	A	566	TRP	0	-0.095	-0.036	58.567	0.001	0.001	0.000	0.000	0.000
546	A	567	ILE	0	-0.022	-0.026	54.770	0.000	0.000	0.000	0.000	0.000
547	A	568	VAL	0	-0.026	0.002	56.199	0.000	0.000	0.000	0.000	0.000
548	A	569	ASP	-1	-0.827	-0.888	59.123	-0.011	-0.011	0.000	0.000	0.000
549	A	570	ASP	-1	-0.909	-0.930	62.064	-0.005	-0.005	0.000	0.000	0.000
550	A	571	SER	0	0.064	0.022	62.018	0.000	0.000	0.000	0.000	0.000
551	A	572	LEU	0	0.017	0.009	62.099	0.000	0.000	0.000	0.000	0.000
552	A	573	LEU	0	0.010	-0.004	58.128	0.000	0.000	0.000	0.000	0.000
553	A	574	LEU	0	0.042	0.020	56.592	0.000	0.000	0.000	0.000	0.000
554	A	575	LYS	1	0.772	0.860	58.299	0.011	0.011	0.000	0.000	0.000
555	A	576	ALA	0	-0.043	-0.024	60.080	0.000	0.000	0.000	0.000	0.000
556	A	577	LEU	0	-0.008	-0.010	53.702	0.001	0.001	0.000	0.000	0.000
557	A	578	VAL	0	0.009	0.021	54.588	-0.001	-0.001	0.000	0.000	0.000
558	A	579	LEU	0	-0.073	-0.035	55.489	0.000	0.000	0.000	0.000	0.000
559	A	580	LEU	0	-0.012	-0.002	52.659	0.001	0.001	0.000	0.000	0.000
560	A	581	ALA	0	0.120	0.066	51.384	0.001	0.001	0.000	0.000	0.000
561	A	582	LYS	1	0.906	0.961	52.216	0.014	0.014	0.000	0.000	0.000
562	A	583	LYS	1	0.821	0.894	53.520	0.004	0.004	0.000	0.000	0.000
563	A	584	ALA	0	0.023	0.012	51.065	0.001	0.001	0.000	0.000	0.000
564	A	585	GLY	0	0.055	0.036	48.592	0.001	0.001	0.000	0.000	0.000
565	A	586	ALA	0	0.015	-0.016	43.179	0.001	0.001	0.000	0.000	0.000
566	A	587	LEU	0	-0.031	0.005	44.333	0.002	0.002	0.000	0.000	0.000
567	A	588	CYS	0	-0.066	-0.022	46.668	0.002	0.002	0.000	0.000	0.000
568	A	589	VAL	0	0.059	0.044	42.609	-0.002	-0.002	0.000	0.000	0.000
569	A	590	TYR	0	0.032	0.004	37.863	-0.002	-0.002	0.000	0.000	0.000
570	A	591	THR	0	-0.003	0.012	42.687	-0.001	-0.001	0.000	0.000	0.000
571	A	592	LEU	0	0.073	0.031	46.223	-0.001	-0.001	0.000	0.000	0.000
572	A	593	ALA	0	-0.002	0.001	43.555	-0.002	-0.002	0.000	0.000	0.000
573	A	594	THR	0	0.025	-0.007	43.670	-0.002	-0.002	0.000	0.000	0.000
574	A	595	ILE	0	-0.028	0.005	45.549	0.000	0.000	0.000	0.000	0.000
575	A	596	TYR	0	0.061	0.017	48.243	0.000	0.000	0.000	0.000	0.000
576	A	597	ALA	0	-0.008	0.017	44.202	-0.002	-0.002	0.000	0.000	0.000
577	A	598	ASN	0	-0.029	-0.050	45.538	-0.003	-0.003	0.000	0.000	0.000
578	A	599	LEU	0	-0.066	-0.023	47.907	0.000	0.000	0.000	0.000	0.000
579	A	600	SER	0	-0.006	-0.004	48.846	0.000	0.000	0.000	0.000	0.000
580	A	601	ASN	0	-0.068	-0.033	47.370	-0.001	-0.001	0.000	0.000	0.000
581	A	602	ALA	0	0.074	0.044	44.163	-0.002	-0.002	0.000	0.000	0.000
582	A	603	PHE	0	-0.032	-0.005	39.455	-0.003	-0.003	0.000	0.000	0.000
583	A	604	GLU	-1	-0.789	-0.880	37.445	-0.050	-0.050	0.000	0.000	0.000
584	A	605	LYN	0	0.016	-0.003	39.036	0.003	0.003	0.000	0.000	0.000
585	A	606	PRO	0	-0.023	-0.009	35.725	-0.004	-0.004	0.000	0.000	0.000
586	A	607	LYS	1	0.916	0.974	37.782	0.031	0.031	0.000	0.000	0.000
587	A	618	PHE	0	0.026	0.015	49.175	0.000	0.000	0.000	0.000	0.000
588	A	619	ALA	0	0.012	-0.012	49.343	-0.001	-0.001	0.000	0.000	0.000
589	A	620	LYS	1	0.929	0.945	50.740	0.004	0.004	0.000	0.000	0.000
590	A	621	HIS	0	0.017	-0.004	48.699	-0.002	-0.002	0.000	0.000	0.000
591	A	622	HIS	0	0.063	0.060	50.913	0.000	0.000	0.000	0.000	0.000
592	A	623	VAL	0	-0.005	-0.009	53.042	0.000	0.000	0.000	0.000	0.000
593	A	624	PRO	0	-0.020	-0.009	50.682	0.000	0.000	0.000	0.000	0.000
594	A	625	GLU	-1	-0.903	-0.942	48.715	-0.023	-0.023	0.000	0.000	0.000
595	A	626	THR	0	0.021	0.002	51.840	-0.001	-0.001	0.000	0.000	0.000
596	A	627	HIS	1	0.863	0.931	53.530	0.007	0.007	0.000	0.000	0.000
597	A	628	PRO	0	0.062	0.021	56.128	-0.001	-0.001	0.000	0.000	0.000
598	A	629	LYS	1	0.886	0.932	56.208	0.009	0.009	0.000	0.000	0.000
599	A	630	ASP	-1	-0.872	-0.919	51.273	-0.014	-0.014	0.000	0.000	0.000
600	A	631	THR	0	-0.093	-0.036	51.690	-0.001	-0.001	0.000	0.000	0.000
601	A	632	GLU	-1	-0.859	-0.973	53.843	-0.023	-0.023	0.000	0.000	0.000
602	A	633	GLU	-1	-0.918	-0.929	55.035	-0.019	-0.019	0.000	0.000	0.000
603	A	634	TYR	0	0.055	0.046	56.836	0.001	0.001	0.000	0.000	0.000
604	A	635	VAL	0	-0.047	-0.024	51.186	0.001	0.001	0.000	0.000	0.000
605	A	636	GLU	-1	-0.802	-0.879	54.346	-0.026	-0.026	0.000	0.000	0.000
606	A	637	LYS	1	0.809	0.890	56.408	0.013	0.013	0.000	0.000	0.000
607	A	638	ARG	1	0.815	0.905	51.831	0.019	0.019	0.000	0.000	0.000
608	A	639	VAL	0	0.008	0.013	51.902	0.000	0.000	0.000	0.000	0.000
609	A	640	ARG	1	0.779	0.828	54.655	0.026	0.026	0.000	0.000	0.000
610	A	641	ALA	0	0.003	0.006	57.880	0.000	0.000	0.000	0.000	0.000
611	A	642	LEU	0	-0.058	-0.045	52.538	0.001	0.001	0.000	0.000	0.000
612	A	643	VAL	0	0.011	0.000	53.804	0.000	0.000	0.000	0.000	0.000
613	A	644	GLU	-1	-0.911	-0.929	56.261	-0.021	-0.021	0.000	0.000	0.000
614	A	645	GLU	-1	-0.823	-0.886	58.501	-0.012	-0.012	0.000	0.000	0.000
615	A	646	GLY	0	-0.003	-0.014	56.725	0.001	0.001	0.000	0.000	0.000
616	A	647	ALA	0	0.052	0.052	52.832	-0.002	-0.002	0.000	0.000	0.000
617	A	648	VAL	0	0.065	0.022	49.922	0.000	0.000	0.000	0.000	0.000
618	A	649	PRO	0	-0.034	-0.024	50.738	0.000	0.000	0.000	0.000	0.000
619	A	650	ALA	0	-0.024	-0.006	51.773	0.001	0.001	0.000	0.000	0.000
620	A	651	CYS	0	0.008	0.000	47.068	0.001	0.001	0.000	0.000	0.000
621	A	652	VAL	0	-0.011	-0.007	46.722	0.000	0.000	0.000	0.000	0.000
622	A	653	ALA	0	-0.034	0.001	47.422	0.000	0.000	0.000	0.000	0.000
623	A	654	VAL	0	-0.037	-0.012	46.065	0.002	0.002	0.000	0.000	0.000
624	A	655	SER	0	0.000	0.001	43.197	0.000	0.000	0.000	0.000	0.000
625	A	656	LYS	1	0.890	0.951	41.925	0.017	0.017	0.000	0.000	0.000
626	A	657	THR	0	0.058	0.029	39.502	0.003	0.003	0.000	0.000	0.000
627	A	658	GLU	-1	-0.834	-0.889	34.627	-0.017	-0.017	0.000	0.000	0.000
628	A	659	SER	0	-0.067	-0.060	34.780	0.002	0.002	0.000	0.000	0.000
629	A	660	LYS	1	0.923	0.924	29.429	0.003	0.003	0.000	0.000	0.000
630	A	661	ASN	0	-0.025	-0.025	33.062	0.001	0.001	0.000	0.000	0.000
631	A	662	ALA	0	0.010	0.008	36.108	-0.001	-0.001	0.000	0.000	0.000
632	A	663	LEU	0	0.000	0.004	36.310	-0.001	-0.001	0.000	0.000	0.000
633	A	664	GLU	-1	-0.816	-0.903	34.865	-0.039	-0.039	0.000	0.000	0.000
634	A	665	LEU	0	-0.010	0.005	38.084	-0.001	-0.001	0.000	0.000	0.000
635	A	666	ILE	0	0.022	0.024	41.487	0.000	0.000	0.000	0.000	0.000
636	A	667	ALA	0	-0.007	0.005	39.790	-0.001	-0.001	0.000	0.000	0.000
637	A	668	ARG	1	0.755	0.858	36.653	0.039	0.039	0.000	0.000	0.000
638	A	669	SER	0	-0.021	-0.035	42.764	0.001	0.001	0.000	0.000	0.000
639	A	670	LEU	0	-0.009	-0.008	44.864	0.001	0.001	0.000	0.000	0.000
640	A	671	LEU	0	-0.090	-0.044	41.561	-0.001	-0.001	0.000	0.000	0.000
641	A	672	ALA	0	-0.002	-0.007	45.403	0.000	0.000	0.000	0.000	0.000
642	A	673	PHE	0	-0.006	-0.007	47.819	0.003	0.003	0.000	0.000	0.000
643	A	674	ALA	0	-0.037	-0.019	48.907	0.001	0.001	0.000	0.000	0.000
644	A	675	GLU	-1	-0.871	-0.933	48.190	-0.044	-0.044	0.000	0.000	0.000
645	A	676	TYR	0	0.032	0.011	51.696	0.001	0.001	0.000	0.000	0.000
646	A	677	GLU	-1	-0.812	-0.895	54.837	-0.039	-0.039	0.000	0.000	0.000
647	A	678	ASP	-1	-0.847	-0.878	56.660	-0.028	-0.028	0.000	0.000	0.000
648	A	679	LEU	0	0.064	0.037	54.757	0.001	0.001	0.000	0.000	0.000
649	A	680	ARG	1	0.835	0.879	51.004	0.043	0.043	0.000	0.000	0.000
650	A	681	GLY	0	-0.025	-0.007	54.329	-0.001	-0.001	0.000	0.000	0.000
651	A	682	ARG	1	0.782	0.857	56.551	0.023	0.023	0.000	0.000	0.000
652	A	683	ILE	0	0.028	0.028	51.221	0.000	0.000	0.000	0.000	0.000
653	A	684	ILE	0	-0.048	0.001	51.672	-0.001	-0.001	0.000	0.000	0.000
654	A	685	ALA	0	-0.020	-0.017	52.918	-0.001	-0.001	0.000	0.000	0.000
655	A	686	GLU	-1	-0.871	-0.913	53.865	-0.023	-0.023	0.000	0.000	0.000
656	A	687	GLY	0	-0.015	-0.012	50.853	0.001	0.001	0.000	0.000	0.000
657	A	688	GLY	0	0.055	0.033	48.692	-0.001	-0.001	0.000	0.000	0.000
658	A	689	THR	0	0.041	0.013	46.757	-0.001	-0.001	0.000	0.000	0.000
659	A	690	VAL	0	-0.018	-0.012	45.303	-0.003	-0.003	0.000	0.000	0.000
660	A	691	LEU	0	0.014	0.017	43.620	-0.002	-0.002	0.000	0.000	0.000
661	A	692	CYS	0	0.004	0.010	42.444	-0.001	-0.001	0.000	0.000	0.000
662	A	693	LEU	0	0.051	0.025	40.411	-0.004	-0.004	0.000	0.000	0.000
663	A	694	ARG	1	0.729	0.816	39.518	0.031	0.031	0.000	0.000	0.000
664	A	695	LEU	0	-0.042	-0.029	38.116	-0.003	-0.003	0.000	0.000	0.000
665	A	696	THR	0	-0.001	0.019	35.454	-0.003	-0.003	0.000	0.000	0.000
666	A	697	LYS	1	0.842	0.913	34.114	0.061	0.061	0.000	0.000	0.000
667	A	698	GLU	-1	-0.841	-0.904	33.292	-0.043	-0.043	0.000	0.000	0.000
668	A	699	ALA	0	0.007	0.012	33.727	0.002	0.002	0.000	0.000	0.000
669	A	700	SER	0	0.028	0.009	30.845	-0.003	-0.003	0.000	0.000	0.000
670	A	701	GLY	0	0.040	0.025	29.756	0.003	0.003	0.000	0.000	0.000
671	A	702	GLU	-1	-0.804	-0.910	30.640	-0.079	-0.079	0.000	0.000	0.000
672	A	703	GLY	0	-0.001	0.000	33.466	0.002	0.002	0.000	0.000	0.000
673	A	704	LYS	1	0.844	0.930	29.896	0.085	0.085	0.000	0.000	0.000
674	A	705	ILE	0	0.016	0.007	31.872	0.001	0.001	0.000	0.000	0.000
675	A	706	LYS	1	0.812	0.886	35.713	0.058	0.058	0.000	0.000	0.000
676	A	707	ALA	0	0.015	0.007	38.455	0.003	0.003	0.000	0.000	0.000
677	A	708	GLY	0	0.066	0.031	38.658	0.002	0.002	0.000	0.000	0.000
678	A	709	HIS	0	0.030	0.032	39.938	0.005	0.005	0.000	0.000	0.000
679	A	710	ALA	0	0.055	0.024	41.858	0.002	0.002	0.000	0.000	0.000
680	A	711	ILE	0	-0.031	-0.014	41.499	0.003	0.003	0.000	0.000	0.000
681	A	712	ALA	0	-0.037	-0.015	42.996	0.002	0.002	0.000	0.000	0.000
682	A	713	LYS	1	0.866	0.936	44.943	0.049	0.049	0.000	0.000	0.000
683	A	714	LEU	0	-0.047	-0.018	47.405	0.004	0.004	0.000	0.000	0.000
684	A	715	GLY	0	-0.032	-0.028	48.368	0.002	0.002	0.000	0.000	0.000
685	A	716	ALA	0	0.084	0.035	49.077	-0.002	-0.002	0.000	0.000	0.000
686	A	717	LYS	1	0.830	0.934	51.536	0.043	0.043	0.000	0.000	0.000
687	A	718	ALA	0	-0.014	-0.020	53.623	0.003	0.003	0.000	0.000	0.000
688	A	719	ASP	-1	-0.804	-0.904	54.120	-0.044	-0.044	0.000	0.000	0.000
689	A	720	PRO	0	0.031	0.049	52.003	0.001	0.001	0.000	0.000	0.000
690	A	721	MET	0	-0.005	-0.008	52.686	-0.001	-0.001	0.000	0.000	0.000
691	A	722	ILE	0	-0.098	-0.051	55.282	0.001	0.001	0.000	0.000	0.000
692	A	723	SER	0	0.007	-0.044	51.434	0.000	0.000	0.000	0.000	0.000
693	A	724	PHE	0	-0.036	-0.018	47.139	0.000	0.000	0.000	0.000	0.000
694	A	725	PRO	0	0.085	0.051	50.292	-0.002	-0.002	0.000	0.000	0.000
695	A	726	GLY	0	0.104	0.038	50.273	-0.002	-0.002	0.000	0.000	0.000
696	A	727	GLN	0	-0.078	-0.030	45.123	0.000	0.000	0.000	0.000	0.000
697	A	728	ARG	1	0.816	0.895	44.626	0.047	0.047	0.000	0.000	0.000
698	A	729	ALA	0	0.035	0.004	45.330	-0.003	-0.003	0.000	0.000	0.000
699	A	730	TYR	0	-0.017	-0.002	42.805	-0.003	-0.003	0.000	0.000	0.000
700	A	731	GLU	-1	-0.794	-0.887	40.302	-0.064	-0.064	0.000	0.000	0.000
701	A	732	VAL	0	-0.064	-0.022	40.161	-0.003	-0.003	0.000	0.000	0.000
702	A	733	VAL	0	0.051	0.021	39.635	0.000	0.000	0.000	0.000	0.000
703	A	734	LYS	1	0.856	0.920	32.078	0.131	0.131	0.000	0.000	0.000
704	A	735	PRO	0	0.055	0.018	35.992	-0.004	-0.004	0.000	0.000	0.000
705	A	736	LEU	0	0.033	0.034	36.896	-0.005	-0.005	0.000	0.000	0.000
706	A	737	CYS	0	-0.133	-0.059	37.063	0.002	0.002	0.000	0.000	0.000
707	A	738	ASP	-1	-0.849	-0.929	32.264	-0.140	-0.140	0.000	0.000	0.000
708	A	739	LEU	0	-0.091	-0.047	33.605	-0.004	-0.004	0.000	0.000	0.000
709	A	740	LEU	0	-0.009	0.012	36.164	0.002	0.002	0.000	0.000	0.000
710	A	741	HIS	0	0.044	0.028	28.037	0.003	0.003	0.000	0.000	0.000
711	A	742	PRO	0	-0.048	-0.014	31.374	-0.002	-0.002	0.000	0.000	0.000
712	A	743	ASP	-1	-0.738	-0.881	33.409	-0.106	-0.106	0.000	0.000	0.000
713	A	744	VAL	0	-0.110	-0.033	31.610	0.003	0.003	0.000	0.000	0.000
714	A	745	GLU	-1	-0.783	-0.885	35.107	-0.076	-0.076	0.000	0.000	0.000
715	A	746	GLY	0	-0.090	-0.042	37.314	-0.002	-0.002	0.000	0.000	0.000
716	A	747	LYS	1	0.773	0.869	34.291	0.100	0.100	0.000	0.000	0.000
717	A	748	ALA	0	0.067	0.038	40.120	0.003	0.003	0.000	0.000	0.000
718	A	749	ASN	0	0.050	0.029	38.385	0.001	0.001	0.000	0.000	0.000
719	A	750	TYR	0	0.053	0.013	42.095	0.000	0.000	0.000	0.000	0.000
720	A	751	ASP	-1	-0.875	-0.951	45.333	-0.055	-0.055	0.000	0.000	0.000
721	A	752	SER	0	-0.019	-0.023	41.737	0.001	0.001	0.000	0.000	0.000
722	A	753	LEU	0	0.005	0.003	42.671	0.000	0.000	0.000	0.000	0.000
723	A	754	LEU	0	0.024	0.042	45.912	0.001	0.001	0.000	0.000	0.000
724	A	755	THR	0	-0.026	-0.022	45.647	0.003	0.003	0.000	0.000	0.000
725	A	756	LEU	0	0.025	0.009	42.294	0.001	0.001	0.000	0.000	0.000
726	A	757	THR	0	-0.030	-0.029	46.288	-0.001	-0.001	0.000	0.000	0.000
727	A	758	ASN	0	-0.028	-0.014	49.376	0.001	0.001	0.000	0.000	0.000
728	A	759	LEU	0	-0.060	-0.012	45.357	0.002	0.002	0.000	0.000	0.000
729	A	760	ALA	0	-0.024	-0.026	47.481	0.001	0.001	0.000	0.000	0.000
730	A	761	SER	0	-0.001	0.019	49.161	0.001	0.001	0.000	0.000	0.000
731	A	762	VAL	0	0.007	0.015	52.961	0.001	0.001	0.000	0.000	0.000
732	A	763	SER	0	-0.013	-0.025	51.104	-0.002	-0.002	0.000	0.000	0.000
733	A	764	ASP	-1	-0.719	-0.868	49.838	-0.067	-0.067	0.000	0.000	0.000
734	A	765	SER	0	-0.056	-0.031	46.687	-0.005	-0.005	0.000	0.000	0.000
735	A	766	ILE	0	-0.014	-0.007	45.375	-0.004	-0.004	0.000	0.000	0.000
736	A	767	ARG	1	0.916	0.948	44.746	0.060	0.060	0.000	0.000	0.000
737	A	768	GLY	0	-0.007	0.009	44.385	-0.005	-0.005	0.000	0.000	0.000
738	A	769	ARG	1	0.887	0.939	39.002	0.079	0.079	0.000	0.000	0.000
739	A	770	ILE	0	0.023	0.005	40.083	-0.006	-0.006	0.000	0.000	0.000
740	A	771	LEU	0	0.006	0.029	40.225	-0.006	-0.006	0.000	0.000	0.000
741	A	772	LYS	1	0.944	0.955	34.808	0.120	0.120	0.000	0.000	0.000
742	A	773	GLU	-1	-0.902	-0.948	34.681	-0.131	-0.131	0.000	0.000	0.000
743	A	774	LYS	1	0.855	0.933	29.065	0.200	0.200	0.000	0.000	0.000
744	A	775	ALA	0	0.052	0.017	35.206	-0.005	-0.005	0.000	0.000	0.000
745	A	776	ILE	0	0.038	0.004	37.576	0.000	0.000	0.000	0.000	0.000
746	A	777	PRO	0	-0.033	-0.014	35.577	0.002	0.002	0.000	0.000	0.000
747	A	778	LYS	1	0.813	0.894	33.240	0.135	0.135	0.000	0.000	0.000
748	A	779	ILE	0	-0.039	0.003	37.644	0.005	0.005	0.000	0.000	0.000
749	A	780	GLU	-1	-0.795	-0.882	40.577	-0.105	-0.105	0.000	0.000	0.000
750	A	781	GLU	-1	-0.802	-0.903	36.436	-0.133	-0.133	0.000	0.000	0.000
751	A	782	PHE	0	-0.096	-0.052	39.283	0.004	0.004	0.000	0.000	0.000
752	A	783	TRP	0	0.040	0.001	43.580	0.005	0.005	0.000	0.000	0.000
753	A	784	PHE	0	-0.038	-0.009	40.977	0.004	0.004	0.000	0.000	0.000
754	A	785	MET	0	-0.039	0.016	41.674	0.001	0.001	0.000	0.000	0.000
755	A	786	THR	0	0.023	-0.006	45.588	0.001	0.001	0.000	0.000	0.000
756	A	787	ASP	-1	-0.923	-0.947	48.274	-0.057	-0.057	0.000	0.000	0.000
757	A	788	HIS	1	0.842	0.864	43.195	0.073	0.073	0.000	0.000	0.000
758	A	789	GLU	-1	-0.843	-0.907	48.572	-0.051	-0.051	0.000	0.000	0.000
759	A	790	HIS	0	-0.021	0.005	50.116	0.000	0.000	0.000	0.000	0.000
760	A	791	LEU	0	-0.082	-0.054	43.906	0.000	0.000	0.000	0.000	0.000
761	A	792	ARG	1	0.985	1.003	46.378	0.066	0.066	0.000	0.000	0.000
762	A	793	ALA	0	0.027	0.014	48.707	-0.001	-0.001	0.000	0.000	0.000
763	A	794	ALA	0	-0.004	0.001	47.817	0.001	0.001	0.000	0.000	0.000
764	A	795	ALA	0	0.038	0.006	45.661	0.000	0.000	0.000	0.000	0.000
765	A	796	ALA	0	0.015	0.029	47.345	-0.001	-0.001	0.000	0.000	0.000
766	A	797	GLU	-1	-0.854	-0.932	50.783	-0.054	-0.054	0.000	0.000	0.000
767	A	798	LEU	0	-0.049	-0.002	44.851	0.001	0.001	0.000	0.000	0.000
768	A	799	LEU	0	0.008	-0.016	44.987	-0.001	-0.001	0.000	0.000	0.000
769	A	800	LEU	0	-0.026	0.014	48.801	0.000	0.000	0.000	0.000	0.000
770	A	801	ASN	0	-0.024	-0.049	51.409	0.003	0.003	0.000	0.000	0.000
771	A	802	LEU	0	-0.047	-0.030	44.136	-0.001	-0.001	0.000	0.000	0.000
772	A	803	LEU	0	0.002	0.023	47.702	-0.003	-0.003	0.000	0.000	0.000
773	A	804	PHE	0	-0.071	-0.014	50.176	0.002	0.002	0.000	0.000	0.000
774	A	805	PHE	0	-0.058	-0.066	51.718	0.003	0.003	0.000	0.000	0.000
775	A	806	GLU	-1	-0.857	-0.916	50.089	-0.071	-0.071	0.000	0.000	0.000
776	A	807	LYS	1	0.804	0.936	45.191	0.070	0.070	0.000	0.000	0.000
777	A	808	PHE	0	0.012	-0.031	42.861	-0.005	-0.005	0.000	0.000	0.000
778	A	809	TYR	0	0.022	0.020	46.528	-0.001	-0.001	0.000	0.000	0.000
779	A	810	GLU	-1	-0.847	-0.944	48.522	-0.078	-0.078	0.000	0.000	0.000
780	A	811	GLU	-1	-0.983	-0.985	42.432	-0.113	-0.113	0.000	0.000	0.000
781	A	812	THR	0	-0.082	-0.054	45.543	-0.002	-0.002	0.000	0.000	0.000
782	A	813	VAL	0	0.005	0.010	47.882	0.002	0.002	0.000	0.000	0.000
783	A	814	ALA	0	-0.020	-0.015	48.472	0.001	0.001	0.000	0.000	0.000
784	A	815	PRO	0	-0.039	-0.011	43.387	0.000	0.000	0.000	0.000	0.000
785	A	816	GLY	0	0.045	0.023	45.410	-0.001	-0.001	0.000	0.000	0.000
786	A	817	THR	0	-0.038	-0.009	42.369	-0.003	-0.003	0.000	0.000	0.000
787	A	818	ASP	-1	-0.843	-0.913	45.077	-0.091	-0.091	0.000	0.000	0.000
788	A	819	ARG	1	0.851	0.900	41.950	0.109	0.109	0.000	0.000	0.000
789	A	820	LEU	0	0.032	0.016	47.994	0.002	0.002	0.000	0.000	0.000
790	A	821	LYS	1	0.848	0.918	48.998	0.086	0.086	0.000	0.000	0.000
791	A	822	LEU	0	0.054	0.031	47.699	0.003	0.003	0.000	0.000	0.000
792	A	823	TRP	0	0.009	0.009	48.168	0.001	0.001	0.000	0.000	0.000
793	A	824	VAL	0	-0.058	-0.008	53.774	0.003	0.003	0.000	0.000	0.000
794	A	825	LEU	0	-0.010	-0.031	52.912	0.002	0.002	0.000	0.000	0.000
795	A	826	TYR	0	0.017	0.017	48.730	0.001	0.001	0.000	0.000	0.000
796	A	827	SER	0	-0.055	-0.014	55.612	0.002	0.002	0.000	0.000	0.000
797	A	828	ALA	0	-0.026	-0.048	58.481	0.002	0.002	0.000	0.000	0.000
798	A	829	GLU	-1	-0.967	-0.980	53.370	-0.064	-0.064	0.000	0.000	0.000
799	A	830	VAL	0	-0.037	-0.016	57.369	-0.001	-0.001	0.000	0.000	0.000
800	A	831	GLU	-1	-0.940	-0.973	57.344	-0.052	-0.052	0.000	0.000	0.000
801	A	832	GLU	-1	-0.859	-0.936	54.518	-0.055	-0.055	0.000	0.000	0.000
802	A	833	GLU	-1	-0.826	-0.946	58.299	-0.041	-0.041	0.000	0.000	0.000
803	A	834	ARG	1	0.910	0.959	55.976	0.046	0.046	0.000	0.000	0.000
804	A	835	LEU	0	-0.008	0.006	51.456	-0.001	-0.001	0.000	0.000	0.000
805	A	836	SER	0	0.011	0.034	55.296	-0.002	-0.002	0.000	0.000	0.000
806	A	837	ARG	1	0.762	0.829	58.031	0.042	0.042	0.000	0.000	0.000
807	A	838	ALA	0	0.010	0.028	54.523	0.000	0.000	0.000	0.000	0.000
808	A	839	SER	0	-0.023	-0.036	53.811	-0.001	-0.001	0.000	0.000	0.000
809	A	840	ALA	0	0.048	0.031	55.352	0.000	0.000	0.000	0.000	0.000
810	A	841	ALA	0	-0.039	-0.021	58.624	0.001	0.001	0.000	0.000	0.000
811	A	842	GLY	0	-0.036	-0.016	55.700	0.000	0.000	0.000	0.000	0.000
812	A	843	PHE	0	-0.016	0.001	56.190	-0.002	-0.002	0.000	0.000	0.000
813	A	844	ALA	0	-0.016	-0.012	58.677	0.000	0.000	0.000	0.000	0.000
814	A	845	ILE	0	-0.040	-0.025	57.637	0.000	0.000	0.000	0.000	0.000
815	A	846	LEU	0	0.026	0.023	52.970	-0.001	-0.001	0.000	0.000	0.000
816	A	847	THR	0	-0.018	-0.026	57.248	-0.001	-0.001	0.000	0.000	0.000
817	A	848	GLU	-1	-1.063	-0.997	58.829	-0.054	-0.054	0.000	0.000	0.000
818	A	849	ASP	-1	-0.811	-0.924	55.803	-0.065	-0.065	0.000	0.000	0.000
819	A	850	GLU	-1	-0.873	-0.922	58.601	-0.052	-0.052	0.000	0.000	0.000
820	A	851	ASN	0	-0.057	-0.043	54.492	-0.002	-0.002	0.000	0.000	0.000
821	A	852	ALA	0	0.085	0.056	55.082	-0.002	-0.002	0.000	0.000	0.000
822	A	853	CYS	0	-0.059	-0.024	56.141	-0.001	-0.001	0.000	0.000	0.000
823	A	854	ALA	0	-0.044	-0.034	56.267	0.001	0.001	0.000	0.000	0.000
824	A	855	ARG	1	0.918	0.964	51.436	0.073	0.073	0.000	0.000	0.000
825	A	856	ILE	0	0.050	0.054	54.427	-0.001	-0.001	0.000	0.000	0.000
826	A	857	MET	0	-0.005	0.012	56.674	-0.001	-0.001	0.000	0.000	0.000
827	A	858	ASP	-1	-1.019	-1.022	55.837	-0.066	-0.066	0.000	0.000	0.000
828	A	859	GLU	-1	-0.767	-0.897	51.820	-0.079	-0.079	0.000	0.000	0.000
829	A	860	ILE	0	-0.069	-0.009	55.053	-0.001	-0.001	0.000	0.000	0.000
830	A	861	LYS	1	0.798	0.878	52.906	0.076	0.076	0.000	0.000	0.000
831	A	862	SER	0	0.003	-0.017	58.304	0.000	0.000	0.000	0.000	0.000
832	A	863	TRP	0	0.057	0.041	60.274	0.002	0.002	0.000	0.000	0.000
833	A	864	PRO	0	-0.039	-0.012	61.356	0.001	0.001	0.000	0.000	0.000
834	A	865	GLU	-1	-0.917	-0.945	61.616	-0.050	-0.050	0.000	0.000	0.000
835	A	866	VAL	0	0.120	0.064	58.796	0.001	0.001	0.000	0.000	0.000
836	A	867	PHE	0	0.001	-0.026	61.543	0.001	0.001	0.000	0.000	0.000
837	A	868	LYS	1	0.869	0.932	64.305	0.045	0.045	0.000	0.000	0.000
838	A	869	ASP	-1	-0.890	-0.937	62.830	-0.046	-0.046	0.000	0.000	0.000
839	A	870	ILE	0	-0.033	-0.002	61.470	0.001	0.001	0.000	0.000	0.000
840	A	871	ALA	0	-0.042	-0.003	64.639	0.001	0.001	0.000	0.000	0.000
841	A	872	MET	0	-0.102	-0.056	68.039	0.002	0.002	0.000	0.000	0.000
842	A	873	HIS	0	0.097	0.077	64.032	0.001	0.001	0.000	0.000	0.000
843	A	874	GLU	-1	-0.939	-0.979	66.224	-0.039	-0.039	0.000	0.000	0.000
844	A	875	ASP	-1	-0.696	-0.798	63.155	-0.042	-0.042	0.000	0.000	0.000
845	A	876	ALA	0	0.077	0.028	66.267	-0.001	-0.001	0.000	0.000	0.000
846	A	877	GLU	-1	-0.802	-0.872	64.492	-0.042	-0.042	0.000	0.000	0.000
847	A	878	THR	0	-0.027	-0.048	61.984	-0.002	-0.002	0.000	0.000	0.000
848	A	879	GLN	0	-0.019	-0.002	64.188	0.000	0.000	0.000	0.000	0.000
849	A	880	ARG	1	0.764	0.862	66.792	0.040	0.040	0.000	0.000	0.000
850	A	881	ARG	1	0.833	0.885	60.766	0.046	0.046	0.000	0.000	0.000
851	A	882	GLY	0	0.081	0.044	62.885	-0.001	-0.001	0.000	0.000	0.000
852	A	883	LEU	0	-0.045	-0.034	63.924	-0.001	-0.001	0.000	0.000	0.000
853	A	884	MET	0	0.002	0.007	65.448	-0.001	-0.001	0.000	0.000	0.000
854	A	885	GLY	0	0.029	0.024	62.558	-0.001	-0.001	0.000	0.000	0.000
855	A	886	ILE	0	0.027	0.022	63.159	-0.001	-0.001	0.000	0.000	0.000
856	A	887	ALA	0	-0.053	-0.066	65.037	0.000	0.000	0.000	0.000	0.000
857	A	888	ASN	0	-0.059	-0.052	64.576	0.002	0.002	0.000	0.000	0.000
858	A	889	ILE	0	0.047	0.021	60.811	-0.001	-0.001	0.000	0.000	0.000
859	A	890	MET	0	-0.063	-0.012	64.110	-0.001	-0.001	0.000	0.000	0.000
860	A	891	HIS	0	-0.060	-0.032	67.045	0.002	0.002	0.000	0.000	0.000
861	A	892	SER	0	-0.040	-0.036	64.367	0.001	0.001	0.000	0.000	0.000
862	A	893	SER	0	0.056	0.043	63.369	-0.001	-0.001	0.000	0.000	0.000
863	A	894	ASN	0	0.067	0.006	65.920	0.000	0.000	0.000	0.000	0.000
864	A	895	LYS	1	0.884	0.967	60.920	0.057	0.057	0.000	0.000	0.000
865	A	896	LEU	0	0.049	0.015	61.779	0.000	0.000	0.000	0.000	0.000
866	A	897	CYS	0	-0.031	-0.010	66.208	0.001	0.001	0.000	0.000	0.000
867	A	898	SER	0	-0.079	-0.056	69.547	0.002	0.002	0.000	0.000	0.000
868	A	899	GLU	-1	-0.941	-0.945	65.716	-0.047	-0.047	0.000	0.000	0.000
869	A	900	ILE	0	-0.013	-0.013	69.103	0.000	0.000	0.000	0.000	0.000
870	A	901	VAL	0	0.009	-0.010	69.427	0.001	0.001	0.000	0.000	0.000
871	A	902	SER	0	-0.063	-0.028	70.193	-0.001	-0.001	0.000	0.000	0.000
872	A	903	SER	0	0.055	0.004	68.919	0.001	0.001	0.000	0.000	0.000
873	A	904	GLU	-1	-0.935	-0.979	71.159	-0.035	-0.035	0.000	0.000	0.000
874	A	905	VAL	0	-0.011	-0.003	74.476	0.001	0.001	0.000	0.000	0.000
875	A	906	PHE	0	0.057	0.038	69.154	0.001	0.001	0.000	0.000	0.000
876	A	907	ARG	1	0.899	0.914	73.018	0.039	0.039	0.000	0.000	0.000
877	A	908	VAL	0	0.004	0.017	75.092	0.001	0.001	0.000	0.000	0.000
878	A	909	LEU	0	0.021	0.009	76.053	0.001	0.001	0.000	0.000	0.000
879	A	910	VAL	0	-0.183	-0.067	74.003	0.001	0.001	0.000	0.000	0.000
880	A	911	ALA	0	0.143	0.040	76.965	0.000	0.000	0.000	0.000	0.000
881	A	912	VAL	0	-0.054	-0.022	80.173	0.001	0.001	0.000	0.000	0.000
882	A	913	THR	0	0.033	0.005	81.678	0.001	0.001	0.000	0.000	0.000
883	A	914	LYS	1	0.920	0.969	76.736	0.032	0.032	0.000	0.000	0.000
884	A	915	LEU	0	0.011	0.043	77.804	0.000	0.000	0.000	0.000	0.000
885	A	916	GLY	0	0.009	-0.011	75.007	0.000	0.000	0.000	0.000	0.000
886	A	917	THR	0	0.047	0.012	72.679	0.000	0.000	0.000	0.000	0.000
887	A	918	ILE	0	-0.021	0.006	70.230	0.000	0.000	0.000	0.000	0.000
888	A	919	ASN	0	0.017	-0.029	72.497	0.000	0.000	0.000	0.000	0.000
889	A	920	GLN	0	-0.057	-0.017	72.188	0.001	0.001	0.000	0.000	0.000
890	A	921	GLU	-1	-0.840	-0.924	68.702	-0.039	-0.039	0.000	0.000	0.000
891	A	922	ARG	1	0.739	0.911	70.658	0.037	0.037	0.000	0.000	0.000
892	A	923	ALA	0	-0.050	-0.038	73.325	0.000	0.000	0.000	0.000	0.000
893	A	924	GLY	0	0.047	0.019	72.531	0.000	0.000	0.000	0.000	0.000
894	A	925	SER	0	-0.025	0.016	70.136	-0.001	-0.001	0.000	0.000	0.000
895	A	926	THR	0	-0.044	-0.020	72.333	0.000	0.000	0.000	0.000	0.000
896	A	927	GLU	-1	-0.743	-0.838	74.952	-0.033	-0.033	0.000	0.000	0.000
897	A	928	GLN	0	0.010	0.021	68.859	0.000	0.000	0.000	0.000	0.000
898	A	929	ALA	0	0.006	-0.004	73.374	-0.001	-0.001	0.000	0.000	0.000
899	A	930	LYS	1	0.726	0.848	76.070	0.033	0.033	0.000	0.000	0.000

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