FMO DATABASE

FMODB ID: Q1VLY

Calculation Name: 1WDD-AESW-Xray434

Preferred Name:

Target Type:

Ligand Name: 2-carboxyarabinitol-1,5-diphosphate

ligand 3-letter code: CAP

PDB ID: 1WDD

Chain ID: AESW

ChEMBL ID:

UniProt ID: P0C512

Base Structure: X-ray

Registration Date: 2023-09-26

Reference: M. Fujii, S. Tanaka, Interspecies Comparison of Interaction Energies between Photosynthetic Protein RuBisCO and 2CABP Ligand, Int. J. Mol. Sci. 2022, 23(19), 11347.

DOI: 10.3390/ijms231911347

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptH
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Manual calculation

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Manual
Number of fragment	1176
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-42155646.187293
FMO2-HF: Nuclear repulsion	41685844.688696
FMO2-HF: Total energy	-469801.498597
FMO2-MP2: Total energy	-471162.439368

3D Structure

Snapshot

Ligand structure

CAP

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.
-1074.573	-1084.463	186.630	-90.383	-86.352	-0.691

Interactive mode: IFIE and PIEDA for fragment #1175(A:1001:CAP)

Summations of interaction energy for fragment #1175(A:1001:CAP)

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.
-1074.573	-1084.463	186.63	-90.383	-86.352	0.691

Interaction energy analysis for fragmet #1175(A:1001:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.254 / q_NPA : -3.610

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].
162	A	172	CYS	0	-0.054	-0.014	5.180	4.195	4.339	-0.001	-0.004	-0.138	0.000
163	A	173	THR	0	0.121	0.037	2.039	-19.342	-17.429	7.645	-4.755	-4.804	-0.020
164	A	174	ILE	0	-0.010	-0.008	4.041	9.090	9.346	-0.001	-0.059	-0.195	0.000
165	A	175	LYS	1	0.835	0.909	2.087	-231.349	-229.302	9.320	-4.684	-6.683	0.069
167	A	177	LYS	1	0.747	0.882	4.320	-164.076	-163.672	-0.001	-0.129	-0.274	0.000
191	A	201	KCX	-1	-0.518	-0.800	1.589	183.751	173.290	29.847	-11.413	-7.973	-0.101
193	A	203	ASP	0	0.202	0.046	4.359	6.240	6.390	-0.001	-0.038	-0.111	0.000
194	A	204	GLU	0	0.174	-0.015	4.082	-17.056	-16.701	-0.001	-0.082	-0.271	0.000
285	A	294	HIS	0	0.615	0.512	1.955	-7.052	-7.631	7.177	-2.618	-3.980	0.013
286	A	295	ARG	1	0.752	0.838	1.817	-275.459	-274.467	22.512	-13.811	-9.693	0.191
287	A	296	ALA	0	0.036	0.027	5.165	-0.078	0.001	-0.001	-0.008	-0.069	0.000
289	A	298	HIS	1	0.824	0.889	3.412	-174.178	-172.412	0.049	-0.875	-0.939	0.008
318	A	327	HIS	0	0.150	0.163	1.719	-56.658	-58.515	18.158	-8.660	-7.642	0.092
319	A	328	ALA	0	-0.007	-0.012	4.773	-7.422	-7.252	-0.001	-0.019	-0.149	0.000
320	A	329	GLY	0	0.048	0.022	3.638	-12.661	-11.726	0.024	-0.473	-0.486	0.003
321	A	330	THR	0	0.044	0.028	4.623	-18.847	-18.662	-0.001	-0.022	-0.161	0.000
325	A	334	LYS	1	0.792	0.885	1.939	-267.665	-266.811	8.606	-4.773	-4.687	0.065
326	A	335	LEU	0	-0.005	0.013	2.692	-21.440	-17.998	1.499	-1.977	-2.965	0.021
327	A	336	GLU	-1	-0.827	-0.920	5.552	83.723	83.778	-0.001	-0.001	-0.052	0.000
368	A	377	VAL	0	-0.004	-0.010	5.200	-3.943	-3.889	-0.001	-0.004	-0.049	0.000
369	A	378	ALA	0	0.026	0.025	4.820	18.588	18.757	-0.001	-0.006	-0.162	0.000
370	A	379	SER	0	-0.006	-0.036	1.909	-31.110	-28.387	9.147	-5.791	-6.079	0.036
371	A	380	GLY	0	0.091	0.039	2.109	9.464	11.694	7.991	-4.904	-5.317	0.021
372	A	381	GLY	0	-0.031	-0.028	1.841	-44.791	-49.513	9.970	-1.499	-3.749	0.058
373	A	382	ILE	0	-0.070	-0.018	3.915	-29.076	-28.361	0.018	-0.337	-0.396	0.003
392	A	401	GLN	0	-0.005	-0.008	3.856	-23.939	-23.674	-0.001	-0.027	-0.237	0.000
393	A	402	PHE	0	0.028	0.004	3.679	17.675	18.479	0.020	-0.300	-0.525	0.001
394	A	403	GLY	0	0.082	0.043	1.903	-37.455	-38.123	9.499	-5.039	-3.793	0.064
395	A	404	GLY	0	0.028	-0.013	1.729	-54.609	-62.703	16.548	-4.361	-4.093	0.064
396	A	405	GLY	0	-0.032	-0.023	3.615	-31.186	-30.460	0.036	-0.308	-0.453	0.006
637	E	60	GLU	-1	-0.778	-0.875	5.441	183.974	184.005	-0.001	-0.020	-0.010	0.000
642	E	65	THR	0	-0.020	-0.046	1.601	-12.949	-23.268	24.558	-9.951	-4.288	0.074
643	E	66	TRP	0	0.015	0.009	2.435	-48.154	-45.539	2.570	-2.096	-3.089	0.028
700	E	123	ASN	0	0.102	0.022	2.679	6.199	8.826	1.450	-1.334	-2.743	-0.005
701	E	124	VAL	0	0.033	0.012	4.998	3.917	4.021	-0.001	-0.005	-0.097	0.000
1	A	11	VAL	0	0.019	-0.009	52.197	-0.177	-0.177	0.000	0.000	0.000	0.000
2	A	12	GLY	0	-0.036	-0.009	52.502	0.241	0.241	0.000	0.000	0.000	0.000
3	A	13	PHE	0	0.002	0.015	47.609	0.244	0.244	0.000	0.000	0.000	0.000
4	A	14	LYS	1	0.932	0.960	50.273	-22.507	-22.507	0.000	0.000	0.000	0.000
5	A	15	ALA	0	0.026	0.022	48.727	0.414	0.414	0.000	0.000	0.000	0.000
6	A	16	GLY	0	0.051	0.014	47.475	-0.405	-0.405	0.000	0.000	0.000	0.000
7	A	17	VAL	0	0.006	0.006	42.336	0.272	0.272	0.000	0.000	0.000	0.000
8	A	18	LYS	1	0.908	0.964	43.320	-27.161	-27.161	0.000	0.000	0.000	0.000
9	A	19	ASP	-1	-0.877	-0.935	40.967	28.384	28.384	0.000	0.000	0.000	0.000
10	A	20	TYR	0	-0.031	-0.049	35.589	-0.338	-0.338	0.000	0.000	0.000	0.000
11	A	21	LYS	1	0.930	0.942	38.380	-28.591	-28.591	0.000	0.000	0.000	0.000
12	A	22	LEU	0	-0.066	-0.026	39.245	-0.359	-0.359	0.000	0.000	0.000	0.000
13	A	23	THR	0	-0.053	-0.021	39.578	-0.683	-0.683	0.000	0.000	0.000	0.000
14	A	24	TYR	0	-0.016	-0.025	35.219	-0.323	-0.323	0.000	0.000	0.000	0.000
15	A	25	TYR	0	0.019	0.023	35.541	1.163	1.163	0.000	0.000	0.000	0.000
16	A	26	THR	0	-0.057	-0.046	36.791	-0.606	-0.606	0.000	0.000	0.000	0.000
17	A	27	PRO	0	-0.005	0.005	37.360	0.462	0.462	0.000	0.000	0.000	0.000
18	A	28	GLU	-1	-0.887	-0.938	38.430	28.714	28.714	0.000	0.000	0.000	0.000
19	A	29	TYR	0	-0.128	-0.092	34.029	-0.540	-0.540	0.000	0.000	0.000	0.000
20	A	30	GLU	-1	-0.921	-0.945	37.052	29.426	29.426	0.000	0.000	0.000	0.000
21	A	31	THR	0	-0.056	-0.040	31.629	0.266	0.266	0.000	0.000	0.000	0.000
22	A	32	LYS	1	0.941	0.971	33.944	-31.582	-31.582	0.000	0.000	0.000	0.000
23	A	33	ASP	-1	-0.903	-0.958	32.120	34.404	34.404	0.000	0.000	0.000	0.000
24	A	34	THR	0	-0.001	-0.008	31.076	0.661	0.661	0.000	0.000	0.000	0.000
25	A	35	ASP	-1	-0.824	-0.883	30.542	34.979	34.979	0.000	0.000	0.000	0.000
26	A	36	ILE	0	0.011	0.010	24.255	0.882	0.882	0.000	0.000	0.000	0.000
27	A	37	LEU	0	-0.047	-0.007	25.804	-1.044	-1.044	0.000	0.000	0.000	0.000
28	A	38	ALA	0	0.026	0.016	23.388	2.123	2.123	0.000	0.000	0.000	0.000
29	A	39	ALA	0	0.000	0.010	22.419	-1.947	-1.947	0.000	0.000	0.000	0.000
30	A	40	PHE	0	0.004	-0.009	22.090	2.720	2.720	0.000	0.000	0.000	0.000
31	A	41	ARG	1	0.842	0.927	19.627	-53.715	-53.715	0.000	0.000	0.000	0.000
32	A	42	VAL	0	0.024	-0.004	23.491	1.099	1.099	0.000	0.000	0.000	0.000
33	A	43	THR	0	0.010	0.011	25.132	-0.547	-0.547	0.000	0.000	0.000	0.000
34	A	44	PRO	0	0.015	0.012	27.672	0.402	0.402	0.000	0.000	0.000	0.000
35	A	45	GLN	0	-0.013	0.001	31.025	-0.183	-0.183	0.000	0.000	0.000	0.000
36	A	46	PRO	0	0.032	0.011	33.029	-0.448	-0.448	0.000	0.000	0.000	0.000
37	A	47	GLY	0	-0.006	-0.002	35.930	-0.385	-0.385	0.000	0.000	0.000	0.000
38	A	48	VAL	0	-0.041	-0.012	34.515	-0.707	-0.707	0.000	0.000	0.000	0.000
39	A	49	PRO	0	-0.011	-0.001	35.705	0.514	0.514	0.000	0.000	0.000	0.000
40	A	50	PRO	0	0.085	0.041	33.166	0.523	0.523	0.000	0.000	0.000	0.000
41	A	51	GLU	-1	-0.872	-0.955	33.696	31.855	31.855	0.000	0.000	0.000	0.000
42	A	52	GLU	-1	-0.784	-0.891	35.827	30.523	30.523	0.000	0.000	0.000	0.000
43	A	53	ALA	0	-0.004	0.005	31.160	0.393	0.393	0.000	0.000	0.000	0.000
44	A	54	GLY	0	0.004	-0.003	30.652	0.877	0.877	0.000	0.000	0.000	0.000
45	A	55	ALA	0	-0.013	-0.003	31.626	0.442	0.442	0.000	0.000	0.000	0.000
46	A	56	ALA	0	0.004	0.002	32.554	-0.077	-0.077	0.000	0.000	0.000	0.000
47	A	57	VAL	0	-0.021	-0.010	26.719	0.369	0.369	0.000	0.000	0.000	0.000
48	A	58	ALA	0	0.025	0.019	29.374	0.484	0.484	0.000	0.000	0.000	0.000
49	A	59	ALA	0	-0.017	0.000	31.064	-0.105	-0.105	0.000	0.000	0.000	0.000
50	A	60	GLU	-1	-0.762	-0.877	30.975	33.700	33.700	0.000	0.000	0.000	0.000
51	A	61	SER	0	0.037	0.055	26.997	0.779	0.779	0.000	0.000	0.000	0.000
52	A	62	SER	0	-0.054	-0.053	28.834	0.048	0.048	0.000	0.000	0.000	0.000
53	A	63	THR	0	-0.005	-0.013	31.532	-0.089	-0.089	0.000	0.000	0.000	0.000
54	A	64	GLY	0	0.001	0.012	34.688	-0.887	-0.887	0.000	0.000	0.000	0.000
55	A	65	THR	0	-0.029	-0.055	35.048	0.836	0.836	0.000	0.000	0.000	0.000
56	A	66	TRP	0	0.030	0.016	37.119	-0.601	-0.601	0.000	0.000	0.000	0.000
57	A	67	THR	0	-0.016	-0.004	38.811	-0.757	-0.757	0.000	0.000	0.000	0.000
58	A	68	THR	0	-0.052	-0.019	41.983	0.414	0.414	0.000	0.000	0.000	0.000
59	A	69	VAL	0	0.031	0.011	41.532	-0.431	-0.431	0.000	0.000	0.000	0.000
60	A	70	TRP	0	-0.015	-0.023	44.571	-0.099	-0.099	0.000	0.000	0.000	0.000
61	A	71	THR	0	-0.040	-0.045	42.746	-0.377	-0.377	0.000	0.000	0.000	0.000
62	A	72	ASP	-1	-0.808	-0.913	41.518	28.494	28.494	0.000	0.000	0.000	0.000
63	A	73	GLY	0	-0.046	-0.021	43.803	0.001	0.001	0.000	0.000	0.000	0.000
64	A	74	LEU	0	-0.115	-0.051	45.276	-0.450	-0.450	0.000	0.000	0.000	0.000
65	A	75	THR	0	-0.053	-0.036	41.008	-0.057	-0.057	0.000	0.000	0.000	0.000
66	A	76	SER	0	-0.001	0.006	42.419	-0.219	-0.219	0.000	0.000	0.000	0.000
67	A	77	LEU	0	0.055	0.017	38.995	0.662	0.662	0.000	0.000	0.000	0.000
68	A	78	ASP	-1	-0.907	-0.943	39.398	27.693	27.693	0.000	0.000	0.000	0.000
69	A	79	ARG	1	0.892	0.956	38.892	-28.293	-28.293	0.000	0.000	0.000	0.000
70	A	80	TYR	0	-0.035	-0.031	35.987	0.350	0.350	0.000	0.000	0.000	0.000
71	A	81	LYS	1	0.871	0.950	34.804	-28.448	-28.448	0.000	0.000	0.000	0.000
72	A	82	GLY	0	0.056	0.019	31.863	0.216	0.216	0.000	0.000	0.000	0.000
73	A	83	ARG	1	0.777	0.889	32.471	-32.442	-32.442	0.000	0.000	0.000	0.000
74	A	84	CYS	0	-0.007	0.012	31.284	0.747	0.747	0.000	0.000	0.000	0.000
75	A	85	TYR	0	0.047	0.008	29.571	-0.466	-0.466	0.000	0.000	0.000	0.000
76	A	86	HIS	0	0.038	0.020	31.009	-1.150	-1.150	0.000	0.000	0.000	0.000
77	A	87	ILE	0	0.013	0.011	31.270	1.233	1.233	0.000	0.000	0.000	0.000
78	A	88	GLU	-1	-0.871	-0.923	27.773	39.051	39.051	0.000	0.000	0.000	0.000
79	A	89	PRO	0	0.041	0.010	29.578	1.210	1.210	0.000	0.000	0.000	0.000
80	A	90	VAL	0	-0.042	-0.011	24.666	0.666	0.666	0.000	0.000	0.000	0.000
81	A	91	VAL	0	0.001	-0.013	26.838	-0.870	-0.870	0.000	0.000	0.000	0.000
82	A	92	GLY	0	-0.025	-0.019	26.822	1.354	1.354	0.000	0.000	0.000	0.000
83	A	93	GLU	-1	-0.959	-0.969	24.901	44.375	44.375	0.000	0.000	0.000	0.000
84	A	94	ASP	-1	-0.946	-0.964	28.908	35.364	35.364	0.000	0.000	0.000	0.000
85	A	95	ASN	0	-0.051	-0.039	30.158	-1.581	-1.581	0.000	0.000	0.000	0.000
86	A	96	GLN	0	0.042	0.014	23.277	1.726	1.726	0.000	0.000	0.000	0.000
87	A	97	TYR	0	0.024	0.005	27.606	-1.032	-1.032	0.000	0.000	0.000	0.000
88	A	98	ILE	0	-0.030	-0.006	23.464	1.862	1.862	0.000	0.000	0.000	0.000
89	A	99	ALA	0	-0.010	-0.005	26.786	-1.703	-1.703	0.000	0.000	0.000	0.000
90	A	100	TYR	0	-0.054	-0.035	26.075	2.164	2.164	0.000	0.000	0.000	0.000
91	A	101	VAL	0	-0.008	-0.003	27.579	-1.635	-1.635	0.000	0.000	0.000	0.000
92	A	102	ALA	0	0.006	0.010	28.093	1.239	1.239	0.000	0.000	0.000	0.000
93	A	103	TYR	0	-0.057	-0.053	26.090	-0.716	-0.716	0.000	0.000	0.000	0.000
94	A	104	PRO	0	0.027	0.016	30.210	0.612	0.612	0.000	0.000	0.000	0.000
95	A	105	LEU	0	0.063	0.029	29.449	0.545	0.545	0.000	0.000	0.000	0.000
96	A	106	ASP	-1	-0.918	-0.966	30.902	32.502	32.502	0.000	0.000	0.000	0.000
97	A	107	LEU	0	-0.086	-0.047	30.112	-0.373	-0.373	0.000	0.000	0.000	0.000
98	A	108	PHE	0	-0.022	-0.011	25.508	0.776	0.776	0.000	0.000	0.000	0.000
99	A	109	GLU	-1	-0.799	-0.889	27.039	38.217	38.217	0.000	0.000	0.000	0.000
100	A	110	GLU	-1	-0.765	-0.869	26.426	37.704	37.704	0.000	0.000	0.000	0.000
101	A	111	GLY	0	0.010	0.007	24.337	-0.159	-0.159	0.000	0.000	0.000	0.000
102	A	112	SER	0	0.002	0.009	22.796	2.280	2.280	0.000	0.000	0.000	0.000
103	A	113	VAL	0	0.051	0.020	16.671	-0.805	-0.805	0.000	0.000	0.000	0.000
104	A	114	THR	0	-0.010	0.006	20.105	1.025	1.025	0.000	0.000	0.000	0.000
105	A	115	ASN	0	-0.004	-0.001	20.930	-0.803	-0.803	0.000	0.000	0.000	0.000
106	A	116	MET	0	-0.009	0.007	19.311	-1.076	-1.076	0.000	0.000	0.000	0.000
107	A	117	PHE	0	0.005	-0.019	14.767	-0.105	-0.105	0.000	0.000	0.000	0.000
108	A	118	THR	0	-0.003	0.017	20.713	0.377	0.377	0.000	0.000	0.000	0.000
109	A	119	SER	0	0.033	0.016	23.541	-1.515	-1.515	0.000	0.000	0.000	0.000
110	A	120	ILE	0	-0.067	-0.014	22.275	-0.521	-0.521	0.000	0.000	0.000	0.000
111	A	121	VAL	0	-0.011	-0.030	18.613	-0.200	-0.200	0.000	0.000	0.000	0.000
112	A	122	GLY	0	0.019	0.030	22.004	0.869	0.869	0.000	0.000	0.000	0.000
113	A	123	ASN	0	0.093	0.018	23.990	1.467	1.467	0.000	0.000	0.000	0.000
114	A	124	VAL	0	0.034	0.021	24.718	-0.152	-0.152	0.000	0.000	0.000	0.000
115	A	125	PHE	0	0.013	0.006	19.940	-0.771	-0.771	0.000	0.000	0.000	0.000
116	A	126	GLY	0	0.043	0.023	24.264	0.574	0.574	0.000	0.000	0.000	0.000
117	A	127	PHE	0	-0.033	-0.009	26.636	-1.308	-1.308	0.000	0.000	0.000	0.000
118	A	128	LYS	1	0.817	0.912	29.716	-32.318	-32.318	0.000	0.000	0.000	0.000
119	A	129	ALA	0	0.007	0.008	32.113	0.058	0.058	0.000	0.000	0.000	0.000
120	A	130	LEU	0	-0.006	0.006	27.232	-0.259	-0.259	0.000	0.000	0.000	0.000
121	A	131	ARG	1	0.941	0.965	27.797	-39.367	-39.367	0.000	0.000	0.000	0.000
122	A	132	ALA	0	-0.009	-0.011	22.876	1.367	1.367	0.000	0.000	0.000	0.000
123	A	133	LEU	0	-0.011	0.003	22.667	-1.760	-1.760	0.000	0.000	0.000	0.000
124	A	134	ARG	1	0.810	0.909	13.347	-66.507	-66.507	0.000	0.000	0.000	0.000
125	A	135	LEU	0	-0.029	0.007	18.338	-1.923	-1.923	0.000	0.000	0.000	0.000
126	A	136	GLU	-1	-0.782	-0.893	17.396	63.468	63.468	0.000	0.000	0.000	0.000
127	A	137	ASP	-1	-0.802	-0.917	17.562	58.173	58.173	0.000	0.000	0.000	0.000
128	A	138	LEU	0	0.023	0.002	18.916	-2.139	-2.139	0.000	0.000	0.000	0.000
129	A	139	ARG	1	0.849	0.944	20.884	-38.508	-38.508	0.000	0.000	0.000	0.000
130	A	140	ILE	0	0.012	-0.012	20.244	-1.699	-1.699	0.000	0.000	0.000	0.000
131	A	141	PRO	0	0.010	0.024	23.498	0.360	0.360	0.000	0.000	0.000	0.000
132	A	142	PRO	0	0.124	0.045	26.379	0.508	0.508	0.000	0.000	0.000	0.000
133	A	143	THR	0	-0.015	-0.016	27.721	0.312	0.312	0.000	0.000	0.000	0.000
134	A	144	TYR	0	-0.001	-0.008	23.243	0.164	0.164	0.000	0.000	0.000	0.000
135	A	145	SER	0	0.043	0.015	23.027	0.023	0.023	0.000	0.000	0.000	0.000
136	A	146	LYS	1	0.969	0.985	24.490	-38.795	-38.795	0.000	0.000	0.000	0.000
137	A	147	THR	0	-0.103	-0.053	26.375	-0.479	-0.479	0.000	0.000	0.000	0.000
138	A	148	PHE	0	0.002	0.000	21.150	0.368	0.368	0.000	0.000	0.000	0.000
139	A	149	GLN	0	-0.043	-0.028	20.716	-2.164	-2.164	0.000	0.000	0.000	0.000
140	A	150	GLY	0	0.052	0.032	19.223	-0.483	-0.483	0.000	0.000	0.000	0.000
141	A	151	PRO	0	-0.053	-0.020	16.644	0.306	0.306	0.000	0.000	0.000	0.000
142	A	152	PRO	0	-0.048	-0.009	17.299	-3.207	-3.207	0.000	0.000	0.000	0.000
143	A	153	HIS	0	-0.068	-0.035	19.061	-5.570	-5.570	0.000	0.000	0.000	0.000
144	A	154	GLY	0	0.043	0.008	18.031	-2.209	-2.209	0.000	0.000	0.000	0.000
145	A	155	ILE	0	-0.042	-0.017	16.087	-1.028	-1.028	0.000	0.000	0.000	0.000
146	A	156	GLN	0	-0.043	-0.014	18.393	0.388	0.388	0.000	0.000	0.000	0.000
147	A	157	VAL	0	0.077	0.039	22.030	-0.551	-0.551	0.000	0.000	0.000	0.000
148	A	158	GLU	-1	-0.776	-0.867	15.364	73.522	73.522	0.000	0.000	0.000	0.000
149	A	159	ARG	1	0.802	0.883	17.491	-63.101	-63.101	0.000	0.000	0.000	0.000
150	A	160	ASP	-1	-0.810	-0.895	20.933	45.771	45.771	0.000	0.000	0.000	0.000
151	A	161	LYS	1	0.815	0.925	21.517	-50.445	-50.445	0.000	0.000	0.000	0.000
152	A	162	LEU	0	-0.022	-0.017	17.077	-1.147	-1.147	0.000	0.000	0.000	0.000
153	A	163	ASN	0	-0.007	0.009	21.595	-0.448	-0.448	0.000	0.000	0.000	0.000
154	A	164	LYS	1	0.728	0.859	17.937	-62.022	-62.022	0.000	0.000	0.000	0.000
155	A	165	TYR	0	-0.009	-0.037	21.274	1.106	1.106	0.000	0.000	0.000	0.000
156	A	166	GLY	0	0.027	0.018	22.088	-0.395	-0.395	0.000	0.000	0.000	0.000
157	A	167	ARG	1	0.769	0.877	15.658	-66.618	-66.618	0.000	0.000	0.000	0.000
158	A	168	PRO	0	-0.013	0.014	13.708	-0.439	-0.439	0.000	0.000	0.000	0.000
159	A	169	LEU	0	-0.020	-0.002	13.368	-2.304	-2.304	0.000	0.000	0.000	0.000
160	A	170	LEU	0	-0.007	-0.002	10.358	5.775	5.775	0.000	0.000	0.000	0.000
161	A	171	GLY	0	0.042	0.000	8.768	-6.115	-6.115	0.000	0.000	0.000	0.000
166	A	176	PRO	0	0.052	0.028	6.895	-9.001	-9.001	0.000	0.000	0.000	0.000
168	A	178	LEU	0	-0.023	-0.003	7.410	-5.801	-5.801	0.000	0.000	0.000	0.000
169	A	179	GLY	0	0.048	0.015	10.880	-0.087	-0.087	0.000	0.000	0.000	0.000
170	A	180	LEU	0	-0.049	0.002	10.930	-5.762	-5.762	0.000	0.000	0.000	0.000
171	A	181	SER	0	0.061	0.026	14.350	-0.073	-0.073	0.000	0.000	0.000	0.000
172	A	182	ALA	0	0.089	0.025	15.829	2.595	2.595	0.000	0.000	0.000	0.000
173	A	183	LYS	1	0.933	0.983	16.851	-46.865	-46.865	0.000	0.000	0.000	0.000
174	A	184	ASN	0	0.014	-0.009	15.581	-1.512	-1.512	0.000	0.000	0.000	0.000
175	A	185	TYR	0	0.075	0.038	8.013	2.169	2.169	0.000	0.000	0.000	0.000
176	A	186	GLY	0	0.060	0.034	13.379	2.486	2.486	0.000	0.000	0.000	0.000
177	A	187	ARG	1	0.903	0.950	15.944	-56.255	-56.255	0.000	0.000	0.000	0.000
178	A	188	ALA	0	-0.010	-0.011	11.352	-0.345	-0.345	0.000	0.000	0.000	0.000
179	A	189	CYS	0	0.009	0.012	12.116	0.605	0.605	0.000	0.000	0.000	0.000
180	A	190	TYR	0	-0.030	-0.050	13.056	0.046	0.046	0.000	0.000	0.000	0.000
181	A	191	GLU	-1	-0.891	-0.953	14.723	58.083	58.083	0.000	0.000	0.000	0.000
182	A	192	CYS	0	-0.052	-0.022	9.389	-0.657	-0.657	0.000	0.000	0.000	0.000
183	A	193	LEU	0	0.021	0.010	12.779	-1.101	-1.101	0.000	0.000	0.000	0.000
184	A	194	ARG	1	0.762	0.868	14.852	-56.953	-56.953	0.000	0.000	0.000	0.000
185	A	195	GLY	0	-0.025	-0.005	15.662	-2.770	-2.770	0.000	0.000	0.000	0.000
186	A	196	GLY	0	0.019	0.009	15.940	-0.522	-0.522	0.000	0.000	0.000	0.000
187	A	197	LEU	0	-0.022	0.001	9.115	0.622	0.622	0.000	0.000	0.000	0.000
188	A	198	ASP	-1	-0.741	-0.823	13.019	67.391	67.391	0.000	0.000	0.000	0.000
189	A	199	PHE	0	0.012	-0.007	10.514	-3.617	-3.617	0.000	0.000	0.000	0.000
190	A	200	THR	0	-0.015	-0.026	8.583	2.810	2.810	0.000	0.000	0.000	0.000
192	A	202	ASP	-1	-0.682	-0.826	6.858	86.738	86.738	0.000	0.000	0.000	0.000
196	A	205	ASN	0	0.003	-0.007	5.696	-4.418	-4.418	0.000	0.000	0.000	0.000
197	A	206	VAL	0	-0.055	-0.004	8.384	-9.270	-9.270	0.000	0.000	0.000	0.000
198	A	207	ASN	0	-0.032	-0.001	10.266	-2.415	-2.415	0.000	0.000	0.000	0.000
199	A	208	SER	0	0.020	-0.003	13.116	-1.991	-1.991	0.000	0.000	0.000	0.000
200	A	209	GLN	0	0.025	0.004	12.371	-1.155	-1.155	0.000	0.000	0.000	0.000
201	A	210	PRO	0	-0.001	-0.003	17.536	-1.056	-1.056	0.000	0.000	0.000	0.000
202	A	211	PHE	0	-0.035	-0.002	12.815	-1.478	-1.478	0.000	0.000	0.000	0.000
203	A	212	MET	0	-0.046	-0.009	12.068	-0.694	-0.694	0.000	0.000	0.000	0.000
204	A	213	ARG	1	0.819	0.918	16.710	-50.764	-50.764	0.000	0.000	0.000	0.000
205	A	214	TRP	0	0.044	0.008	16.669	0.312	0.312	0.000	0.000	0.000	0.000
206	A	215	ARG	1	0.960	0.995	17.672	-44.384	-44.384	0.000	0.000	0.000	0.000
207	A	216	ASP	-1	-0.875	-0.939	19.921	48.977	48.977	0.000	0.000	0.000	0.000
208	A	217	ARG	1	0.805	0.867	12.298	-75.607	-75.607	0.000	0.000	0.000	0.000
209	A	218	PHE	0	0.006	-0.006	14.760	0.772	0.772	0.000	0.000	0.000	0.000
210	A	219	VAL	0	0.012	0.017	17.956	-0.522	-0.522	0.000	0.000	0.000	0.000
211	A	220	PHE	0	0.000	-0.017	18.218	-0.838	-0.838	0.000	0.000	0.000	0.000
212	A	221	CYS	0	-0.011	-0.006	12.997	0.280	0.280	0.000	0.000	0.000	0.000
213	A	222	ALA	0	0.034	0.032	16.542	0.461	0.461	0.000	0.000	0.000	0.000
214	A	223	GLU	-1	-0.980	-0.989	19.287	46.790	46.790	0.000	0.000	0.000	0.000
215	A	224	ALA	0	-0.028	-0.022	16.645	-1.096	-1.096	0.000	0.000	0.000	0.000
216	A	225	ILE	0	0.037	0.024	15.607	-0.008	-0.008	0.000	0.000	0.000	0.000
217	A	226	TYR	0	-0.072	-0.060	18.135	-0.895	-0.895	0.000	0.000	0.000	0.000
218	A	227	LYS	1	0.928	0.988	21.194	-48.734	-48.734	0.000	0.000	0.000	0.000
219	A	228	SER	0	0.024	-0.005	18.269	-0.918	-0.918	0.000	0.000	0.000	0.000
220	A	229	GLN	0	0.032	0.034	20.374	1.009	1.009	0.000	0.000	0.000	0.000
221	A	230	ALA	0	-0.061	-0.023	21.816	-1.586	-1.586	0.000	0.000	0.000	0.000
222	A	231	GLU	-1	-0.879	-0.934	22.642	47.519	47.519	0.000	0.000	0.000	0.000
223	A	232	THR	0	-0.015	-0.021	19.593	-0.921	-0.921	0.000	0.000	0.000	0.000
224	A	233	GLY	0	-0.046	-0.013	23.005	-1.032	-1.032	0.000	0.000	0.000	0.000
225	A	234	GLU	-1	-0.726	-0.842	19.498	56.298	56.298	0.000	0.000	0.000	0.000
226	A	235	ILE	0	-0.020	-0.014	19.582	0.417	0.417	0.000	0.000	0.000	0.000
227	A	236	LYS	1	0.841	0.935	16.384	-61.619	-61.619	0.000	0.000	0.000	0.000
228	A	237	GLY	0	0.008	-0.005	15.205	-2.826	-2.826	0.000	0.000	0.000	0.000
229	A	238	HIS	0	-0.016	-0.006	9.653	3.327	3.327	0.000	0.000	0.000	0.000
230	A	239	TYR	0	-0.029	-0.039	7.102	-8.266	-8.266	0.000	0.000	0.000	0.000
231	A	240	LEU	0	-0.027	0.002	10.251	3.568	3.568	0.000	0.000	0.000	0.000
232	A	241	ASN	0	0.000	-0.019	8.463	-5.040	-5.040	0.000	0.000	0.000	0.000
233	A	242	ALA	0	-0.012	-0.004	11.422	-3.886	-3.886	0.000	0.000	0.000	0.000
234	A	243	THR	0	-0.007	0.000	10.172	-4.994	-4.994	0.000	0.000	0.000	0.000
235	A	244	ALA	0	0.009	0.005	13.271	-0.796	-0.796	0.000	0.000	0.000	0.000
236	A	245	GLY	0	0.029	0.011	16.363	0.798	0.798	0.000	0.000	0.000	0.000
237	A	246	THR	0	0.034	0.026	18.990	-0.579	-0.579	0.000	0.000	0.000	0.000
238	E	247	CYS	0	0.028	-0.009	20.393	1.108	1.108	0.000	0.000	0.000	0.000
239	A	248	GLU	-1	-0.820	-0.898	21.832	44.578	44.578	0.000	0.000	0.000	0.000
240	A	249	GLU	-1	-0.847	-0.925	19.942	49.236	49.236	0.000	0.000	0.000	0.000
241	A	250	MET	0	-0.016	0.008	16.504	1.457	1.457	0.000	0.000	0.000	0.000
242	A	251	ILE	0	0.029	0.015	18.716	0.851	0.851	0.000	0.000	0.000	0.000
243	A	252	LYS	1	0.873	0.947	21.365	-45.979	-45.979	0.000	0.000	0.000	0.000
244	A	253	ARG	1	0.724	0.840	15.826	-59.736	-59.736	0.000	0.000	0.000	0.000
245	A	254	ALA	0	0.048	0.021	18.305	0.462	0.462	0.000	0.000	0.000	0.000
246	A	255	VAL	0	-0.004	0.003	19.177	-0.890	-0.890	0.000	0.000	0.000	0.000
247	A	256	PHE	0	-0.049	-0.019	20.836	-0.858	-0.858	0.000	0.000	0.000	0.000
248	A	257	ALA	0	0.022	0.014	17.756	-0.488	-0.488	0.000	0.000	0.000	0.000
249	A	258	ARG	1	0.902	0.938	19.835	-43.468	-43.468	0.000	0.000	0.000	0.000
250	A	259	GLU	-1	-0.999	-1.005	22.611	40.514	40.514	0.000	0.000	0.000	0.000
251	A	260	LEU	0	-0.040	-0.010	20.499	-1.000	-1.000	0.000	0.000	0.000	0.000
252	A	261	GLY	0	0.033	0.028	23.347	-0.067	-0.067	0.000	0.000	0.000	0.000
253	A	262	VAL	0	-0.063	-0.029	17.589	0.142	0.142	0.000	0.000	0.000	0.000
254	A	263	PRO	0	0.020	-0.008	16.995	-0.432	-0.432	0.000	0.000	0.000	0.000
255	A	264	ILE	0	-0.048	-0.004	12.291	0.083	0.083	0.000	0.000	0.000	0.000
256	A	265	VAL	0	0.029	0.026	13.226	0.103	0.103	0.000	0.000	0.000	0.000
257	A	266	MET	0	-0.048	-0.003	5.316	1.983	1.983	0.000	0.000	0.000	0.000
258	A	267	HIS	0	-0.023	-0.031	10.011	-6.551	-6.551	0.000	0.000	0.000	0.000
259	A	268	ASP	-1	-0.755	-0.884	7.669	112.259	112.259	0.000	0.000	0.000	0.000
260	A	269	TYR	0	-0.054	-0.044	7.467	-3.053	-3.053	0.000	0.000	0.000	0.000
261	A	270	LEU	0	-0.042	-0.009	7.937	-5.914	-5.914	0.000	0.000	0.000	0.000
262	A	271	THR	0	-0.039	-0.025	10.091	-4.141	-4.141	0.000	0.000	0.000	0.000
263	A	272	GLY	0	0.036	0.027	12.454	-4.552	-4.552	0.000	0.000	0.000	0.000
264	A	273	GLY	0	-0.010	-0.012	13.883	-5.021	-5.021	0.000	0.000	0.000	0.000
265	A	274	PHE	0	0.075	0.013	13.344	0.682	0.682	0.000	0.000	0.000	0.000
266	A	275	THR	0	-0.006	0.025	16.832	-0.710	-0.710	0.000	0.000	0.000	0.000
267	A	276	ALA	0	0.028	-0.008	17.534	-1.384	-1.384	0.000	0.000	0.000	0.000
268	A	277	ASN	0	0.026	0.005	13.934	2.811	2.811	0.000	0.000	0.000	0.000
269	A	278	THR	0	0.008	0.013	16.540	0.389	0.389	0.000	0.000	0.000	0.000
270	A	279	SER	0	-0.012	-0.023	19.333	-1.195	-1.195	0.000	0.000	0.000	0.000
271	A	280	LEU	0	-0.017	-0.004	15.006	-1.522	-1.522	0.000	0.000	0.000	0.000
272	A	281	ALA	0	0.036	0.019	17.525	-0.344	-0.344	0.000	0.000	0.000	0.000
273	A	282	HIS	0	-0.013	-0.009	19.130	-2.124	-2.124	0.000	0.000	0.000	0.000
274	A	283	TYR	0	0.052	0.028	20.565	-1.194	-1.194	0.000	0.000	0.000	0.000
275	A	284	CYS	0	-0.045	-0.028	17.842	-0.260	-0.260	0.000	0.000	0.000	0.000
276	A	285	ARG	1	0.845	0.926	20.460	-48.747	-48.747	0.000	0.000	0.000	0.000
277	A	286	ASP	-1	-0.931	-0.970	23.052	41.311	41.311	0.000	0.000	0.000	0.000
278	A	287	ASN	0	-0.114	-0.059	23.022	-2.841	-2.841	0.000	0.000	0.000	0.000
279	A	288	GLY	0	-0.012	0.010	23.108	0.072	0.072	0.000	0.000	0.000	0.000
280	A	289	LEU	0	-0.046	-0.016	17.936	0.730	0.730	0.000	0.000	0.000	0.000
281	A	290	LEU	0	-0.022	-0.008	15.590	-0.060	-0.060	0.000	0.000	0.000	0.000
282	A	291	LEU	0	-0.004	-0.014	13.128	1.136	1.136	0.000	0.000	0.000	0.000
283	A	292	HIS	0	0.018	0.007	5.325	-7.909	-7.909	0.000	0.000	0.000	0.000
284	A	293	ILE	0	0.008	0.006	8.262	-0.405	-0.405	0.000	0.000	0.000	0.000
288	A	297	MET	0	0.009	-0.017	6.084	-13.796	-13.796	0.000	0.000	0.000	0.000
290	A	299	ALA	0	0.004	0.016	6.608	-7.883	-7.883	0.000	0.000	0.000	0.000
291	A	300	VAL	0	-0.026	0.002	8.400	-7.988	-7.988	0.000	0.000	0.000	0.000
292	A	301	ILE	0	-0.018	-0.014	10.848	-6.972	-6.972	0.000	0.000	0.000	0.000
293	A	302	ASP	-1	-0.795	-0.888	8.303	107.914	107.914	0.000	0.000	0.000	0.000
294	A	303	ARG	1	0.811	0.912	9.277	-94.971	-94.971	0.000	0.000	0.000	0.000
295	A	304	GLN	0	-0.033	-0.033	11.251	-4.095	-4.095	0.000	0.000	0.000	0.000
296	A	305	LYS	1	0.927	0.970	14.979	-55.452	-55.452	0.000	0.000	0.000	0.000
297	A	306	ASN	0	-0.022	-0.024	17.212	0.284	0.284	0.000	0.000	0.000	0.000
298	A	307	HIS	0	-0.013	-0.021	18.296	-3.761	-3.761	0.000	0.000	0.000	0.000
299	A	308	GLY	0	0.046	0.038	16.036	2.984	2.984	0.000	0.000	0.000	0.000
300	A	309	MET	0	-0.039	-0.022	14.200	-3.370	-3.370	0.000	0.000	0.000	0.000
301	A	310	HIS	0	0.033	0.038	12.043	5.150	5.150	0.000	0.000	0.000	0.000
302	A	311	PHE	0	0.072	0.030	6.927	1.817	1.817	0.000	0.000	0.000	0.000
303	A	312	ARG	1	0.901	0.931	10.560	-64.607	-64.607	0.000	0.000	0.000	0.000
304	A	313	VAL	0	-0.021	-0.001	13.049	-2.551	-2.551	0.000	0.000	0.000	0.000
305	A	314	LEU	0	-0.008	-0.004	9.691	-1.790	-1.790	0.000	0.000	0.000	0.000
306	A	315	ALA	0	0.016	0.021	10.347	0.707	0.707	0.000	0.000	0.000	0.000
307	A	316	LYS	1	0.838	0.910	11.441	-58.142	-58.142	0.000	0.000	0.000	0.000
308	A	317	ALA	0	0.010	0.009	14.037	-2.342	-2.342	0.000	0.000	0.000	0.000
309	A	318	LEU	0	0.005	0.007	10.373	-2.364	-2.364	0.000	0.000	0.000	0.000
310	A	319	ARG	1	0.765	0.885	13.294	-60.679	-60.679	0.000	0.000	0.000	0.000
311	A	320	MET	0	-0.030	-0.017	15.520	-2.664	-2.664	0.000	0.000	0.000	0.000
312	A	321	SER	0	-0.051	-0.031	15.600	-0.867	-0.867	0.000	0.000	0.000	0.000
313	A	322	GLY	0	0.040	0.011	15.957	-2.428	-2.428	0.000	0.000	0.000	0.000
314	A	323	GLY	0	0.047	-0.001	13.224	2.472	2.472	0.000	0.000	0.000	0.000
315	A	324	ASP	-1	-0.731	-0.856	14.263	61.907	61.907	0.000	0.000	0.000	0.000
316	A	325	HIS	1	0.746	0.848	9.637	-89.886	-89.886	0.000	0.000	0.000	0.000
317	A	326	ILE	0	0.029	0.011	6.677	-1.665	-1.665	0.000	0.000	0.000	0.000
322	A	331	VAL	0	0.016	0.040	7.115	-11.995	-11.995	0.000	0.000	0.000	0.000
323	A	332	VAL	0	-0.049	-0.049	9.233	-4.764	-4.764	0.000	0.000	0.000	0.000
324	A	333	GLY	0	0.007	0.013	7.129	-4.949	-4.949	0.000	0.000	0.000	0.000
328	A	337	GLY	0	0.019	-0.002	5.952	12.432	12.432	0.000	0.000	0.000	0.000
329	A	338	GLU	-1	-0.808	-0.899	7.974	67.098	67.098	0.000	0.000	0.000	0.000
330	A	339	ARG	1	0.947	0.980	11.745	-63.377	-63.377	0.000	0.000	0.000	0.000
331	A	340	GLU	-1	-0.855	-0.933	13.329	61.258	61.258	0.000	0.000	0.000	0.000
332	A	341	MET	0	-0.041	-0.015	12.894	-1.287	-1.287	0.000	0.000	0.000	0.000
333	A	342	THR	0	-0.052	-0.036	9.256	4.496	4.496	0.000	0.000	0.000	0.000
334	A	343	LEU	0	-0.020	-0.010	11.340	0.435	0.435	0.000	0.000	0.000	0.000
335	A	344	GLY	0	0.048	0.038	14.396	-2.167	-2.167	0.000	0.000	0.000	0.000
336	A	345	PHE	0	-0.030	-0.031	8.175	-1.652	-1.652	0.000	0.000	0.000	0.000
337	A	346	VAL	0	-0.009	-0.009	10.721	2.006	2.006	0.000	0.000	0.000	0.000
338	A	347	ASP	-1	-0.856	-0.917	13.053	60.483	60.483	0.000	0.000	0.000	0.000
339	A	348	LEU	0	-0.084	-0.041	15.193	-2.089	-2.089	0.000	0.000	0.000	0.000
340	A	349	LEU	0	-0.052	-0.024	10.119	-1.059	-1.059	0.000	0.000	0.000	0.000
341	A	350	ARG	1	0.823	0.903	14.119	-72.609	-72.609	0.000	0.000	0.000	0.000
342	A	351	ASP	-1	-0.852	-0.913	16.807	54.421	54.421	0.000	0.000	0.000	0.000
343	A	352	ASP	-1	-0.881	-0.944	20.201	45.580	45.580	0.000	0.000	0.000	0.000
344	A	353	PHE	0	0.008	0.001	23.318	-1.066	-1.066	0.000	0.000	0.000	0.000
345	A	354	ILE	0	-0.013	0.014	19.533	0.601	0.601	0.000	0.000	0.000	0.000
346	A	355	GLU	-1	-0.934	-0.973	22.877	40.424	40.424	0.000	0.000	0.000	0.000
347	A	356	LYS	1	0.920	0.954	23.543	-38.973	-38.973	0.000	0.000	0.000	0.000
348	A	357	ASP	-1	-0.824	-0.920	21.909	48.502	48.502	0.000	0.000	0.000	0.000
349	A	358	ARG	1	0.844	0.921	21.541	-43.530	-43.530	0.000	0.000	0.000	0.000
350	A	359	ALA	0	-0.004	0.019	21.448	1.156	1.156	0.000	0.000	0.000	0.000
351	A	360	ARG	1	0.966	0.981	17.612	-56.052	-56.052	0.000	0.000	0.000	0.000
352	A	361	GLY	0	-0.042	-0.026	17.169	3.076	3.076	0.000	0.000	0.000	0.000
353	A	362	ILE	0	-0.030	0.008	17.223	1.205	1.205	0.000	0.000	0.000	0.000
354	A	363	PHE	0	-0.023	-0.041	19.403	-2.673	-2.673	0.000	0.000	0.000	0.000
355	A	364	PHE	0	-0.053	-0.034	22.448	-2.703	-2.703	0.000	0.000	0.000	0.000
356	A	365	THR	0	0.044	0.029	23.069	1.847	1.847	0.000	0.000	0.000	0.000
357	A	366	GLN	0	-0.041	-0.017	20.148	-0.247	-0.247	0.000	0.000	0.000	0.000
358	A	367	ASP	-1	-0.836	-0.920	23.368	42.061	42.061	0.000	0.000	0.000	0.000
359	A	368	TRP	0	-0.058	-0.055	17.706	-0.247	-0.247	0.000	0.000	0.000	0.000
360	A	369	VAL	0	-0.029	-0.009	23.625	-0.100	-0.100	0.000	0.000	0.000	0.000
361	A	370	SER	0	-0.047	-0.034	25.543	-1.436	-1.436	0.000	0.000	0.000	0.000
362	A	371	MET	0	-0.063	0.010	20.202	1.074	1.074	0.000	0.000	0.000	0.000
363	A	372	PRO	0	0.011	0.009	20.074	0.970	0.970	0.000	0.000	0.000	0.000
364	A	373	GLY	0	0.065	0.038	17.920	1.230	1.230	0.000	0.000	0.000	0.000
365	A	374	VAL	0	-0.025	-0.017	11.782	-0.309	-0.309	0.000	0.000	0.000	0.000
366	A	375	ILE	0	-0.021	-0.004	11.346	0.201	0.201	0.000	0.000	0.000	0.000
367	A	376	PRO	0	-0.025	0.001	9.042	6.052	6.052	0.000	0.000	0.000	0.000
374	A	383	HIS	0	0.016	-0.029	5.939	6.222	6.222	0.000	0.000	0.000	0.000
375	A	384	VAL	0	0.063	0.025	8.592	-4.120	-4.120	0.000	0.000	0.000	0.000
376	A	385	TRP	0	-0.077	-0.034	11.854	-5.878	-5.878	0.000	0.000	0.000	0.000
377	A	386	HIS	0	0.009	0.016	8.968	-0.220	-0.220	0.000	0.000	0.000	0.000
378	A	387	MET	0	-0.017	0.013	10.777	1.273	1.273	0.000	0.000	0.000	0.000
379	A	388	PRO	0	0.020	0.016	13.404	-1.107	-1.107	0.000	0.000	0.000	0.000
380	A	389	ALA	0	0.024	0.015	14.680	-1.522	-1.522	0.000	0.000	0.000	0.000
381	A	390	LEU	0	0.012	0.012	9.487	0.741	0.741	0.000	0.000	0.000	0.000
382	A	391	THR	0	-0.023	-0.027	13.136	-0.412	-0.412	0.000	0.000	0.000	0.000
383	A	392	GLU	-1	-0.977	-0.998	15.903	60.936	60.936	0.000	0.000	0.000	0.000
384	A	393	ILE	0	-0.038	-0.002	12.157	-1.369	-1.369	0.000	0.000	0.000	0.000
385	A	394	PHE	0	-0.021	-0.014	8.569	-0.168	-0.168	0.000	0.000	0.000	0.000
386	A	395	GLY	0	0.054	0.043	13.710	-2.728	-2.728	0.000	0.000	0.000	0.000
387	A	396	ASP	-1	-0.789	-0.916	15.286	63.953	63.953	0.000	0.000	0.000	0.000
388	A	397	ASP	-1	-0.855	-0.912	15.718	63.335	63.335	0.000	0.000	0.000	0.000
389	A	398	SER	0	0.007	-0.007	10.819	4.053	4.053	0.000	0.000	0.000	0.000
390	A	399	VAL	0	0.020	0.014	9.139	-4.960	-4.960	0.000	0.000	0.000	0.000
391	A	400	LEU	0	-0.007	0.000	8.551	10.241	10.241	0.000	0.000	0.000	0.000
397	A	406	THR	0	-0.027	-0.011	6.012	-19.869	-19.869	0.000	0.000	0.000	0.000
398	A	407	LEU	0	-0.029	-0.037	6.280	-13.267	-13.267	0.000	0.000	0.000	0.000
399	A	408	GLY	0	0.041	0.024	7.284	-6.909	-6.909	0.000	0.000	0.000	0.000
400	A	409	HIS	0	-0.057	-0.016	8.512	-6.318	-6.318	0.000	0.000	0.000	0.000
401	A	410	PRO	0	0.002	-0.013	11.513	-2.288	-2.288	0.000	0.000	0.000	0.000
402	A	411	TRP	0	-0.051	-0.053	14.683	-3.988	-3.988	0.000	0.000	0.000	0.000
403	A	412	GLY	0	0.033	0.030	13.481	-2.962	-2.962	0.000	0.000	0.000	0.000
404	A	413	ASN	0	0.044	0.011	11.096	3.283	3.283	0.000	0.000	0.000	0.000
405	A	414	ALA	0	0.054	0.055	12.690	2.229	2.229	0.000	0.000	0.000	0.000
406	A	415	PRO	0	0.003	-0.020	15.408	-0.074	-0.074	0.000	0.000	0.000	0.000
407	A	416	GLY	0	0.010	-0.002	11.576	0.177	0.177	0.000	0.000	0.000	0.000
408	A	417	ALA	0	-0.037	-0.002	11.325	3.281	3.281	0.000	0.000	0.000	0.000
409	A	418	ALA	0	0.042	0.034	12.287	-0.201	-0.201	0.000	0.000	0.000	0.000
410	A	419	ALA	0	-0.041	-0.016	13.118	-1.586	-1.586	0.000	0.000	0.000	0.000
411	A	420	ASN	0	-0.011	-0.014	8.478	-1.271	-1.271	0.000	0.000	0.000	0.000
412	A	421	ARG	1	0.745	0.850	12.191	-62.652	-62.652	0.000	0.000	0.000	0.000
413	A	422	VAL	0	0.016	0.007	14.892	-2.373	-2.373	0.000	0.000	0.000	0.000
414	A	423	ALA	0	-0.026	-0.014	13.950	-2.098	-2.098	0.000	0.000	0.000	0.000
415	A	424	LEU	0	0.027	0.002	13.695	-1.686	-1.686	0.000	0.000	0.000	0.000
416	A	425	GLU	-1	-0.736	-0.872	15.722	53.468	53.468	0.000	0.000	0.000	0.000
417	A	426	ALA	0	0.034	0.026	19.053	-2.592	-2.592	0.000	0.000	0.000	0.000
418	A	427	CYS	0	-0.090	-0.034	17.398	-1.334	-1.334	0.000	0.000	0.000	0.000
419	A	428	VAL	0	0.000	-0.001	18.588	-1.663	-1.663	0.000	0.000	0.000	0.000
420	A	429	GLN	0	0.044	0.019	21.108	-0.998	-0.998	0.000	0.000	0.000	0.000
421	A	430	ALA	0	0.026	0.005	23.084	-1.859	-1.859	0.000	0.000	0.000	0.000
422	A	431	ARG	1	0.849	0.912	19.751	-58.105	-58.105	0.000	0.000	0.000	0.000
423	A	432	ASN	0	-0.044	-0.026	24.467	-0.301	-0.301	0.000	0.000	0.000	0.000
424	A	433	GLU	-1	-0.950	-0.985	26.796	40.132	40.132	0.000	0.000	0.000	0.000
425	A	434	GLY	0	-0.079	-0.034	28.072	-1.638	-1.638	0.000	0.000	0.000	0.000
426	A	435	ARG	1	0.806	0.892	25.651	-42.971	-42.971	0.000	0.000	0.000	0.000
427	A	436	ASP	-1	-0.788	-0.909	24.732	50.964	50.964	0.000	0.000	0.000	0.000
428	A	437	LEU	0	-0.003	-0.017	19.423	0.777	0.777	0.000	0.000	0.000	0.000
429	A	438	ALA	0	-0.027	-0.004	20.927	1.727	1.727	0.000	0.000	0.000	0.000
430	A	439	ARG	1	0.840	0.918	21.932	-48.945	-48.945	0.000	0.000	0.000	0.000
431	A	440	GLU	-1	-0.784	-0.864	24.209	44.147	44.147	0.000	0.000	0.000	0.000
432	A	441	GLY	0	0.045	0.021	19.962	0.166	0.166	0.000	0.000	0.000	0.000
433	A	442	ASN	0	0.007	-0.012	19.099	2.637	2.637	0.000	0.000	0.000	0.000
434	A	443	GLU	-1	-0.960	-0.993	20.872	44.366	44.366	0.000	0.000	0.000	0.000
435	A	444	ILE	0	0.064	0.051	20.549	-0.830	-0.830	0.000	0.000	0.000	0.000
436	A	445	ILE	0	0.038	0.029	16.299	-0.545	-0.545	0.000	0.000	0.000	0.000
437	A	446	ARG	1	1.028	1.013	19.592	-52.238	-52.238	0.000	0.000	0.000	0.000
438	A	447	SER	0	-0.121	-0.063	22.248	-1.866	-1.866	0.000	0.000	0.000	0.000
439	A	448	ALA	0	0.126	0.066	20.161	-1.455	-1.455	0.000	0.000	0.000	0.000
440	A	449	CYS	0	-0.065	-0.032	20.027	0.457	0.457	0.000	0.000	0.000	0.000
441	A	450	LYS	1	0.764	0.867	21.834	-46.872	-46.872	0.000	0.000	0.000	0.000
442	A	451	TRP	0	-0.018	0.005	22.612	-2.312	-2.312	0.000	0.000	0.000	0.000
443	A	452	SER	0	0.017	0.028	19.356	0.946	0.946	0.000	0.000	0.000	0.000
444	A	453	PRO	0	0.051	0.017	20.633	1.550	1.550	0.000	0.000	0.000	0.000
445	A	454	GLU	-1	-0.878	-0.949	16.754	54.893	54.893	0.000	0.000	0.000	0.000
446	A	455	LEU	0	0.041	0.009	15.356	4.013	4.013	0.000	0.000	0.000	0.000
447	A	456	ALA	0	0.016	0.006	16.949	1.672	1.672	0.000	0.000	0.000	0.000
448	A	457	ALA	0	-0.022	-0.012	17.103	0.544	0.544	0.000	0.000	0.000	0.000
449	A	458	ALA	0	-0.003	0.001	12.648	1.807	1.807	0.000	0.000	0.000	0.000
450	A	459	CYS	0	-0.065	-0.036	14.146	2.925	2.925	0.000	0.000	0.000	0.000
451	A	460	GLU	-1	-0.844	-0.910	16.272	54.121	54.121	0.000	0.000	0.000	0.000
452	A	461	ILE	0	-0.053	-0.024	12.224	-0.894	-0.894	0.000	0.000	0.000	0.000
453	A	462	TRP	0	-0.009	-0.025	8.480	1.878	1.878	0.000	0.000	0.000	0.000
454	A	463	LYS	1	0.831	0.932	13.268	-53.493	-53.493	0.000	0.000	0.000	0.000
455	A	464	ALA	0	-0.018	-0.011	15.925	-1.019	-1.019	0.000	0.000	0.000	0.000
456	A	465	ILE	0	-0.029	0.001	9.650	0.196	0.196	0.000	0.000	0.000	0.000
457	A	466	LYS	1	0.951	0.987	12.223	-77.636	-77.636	0.000	0.000	0.000	0.000
458	A	467	PHE	0	-0.012	-0.001	7.170	0.404	0.404	0.000	0.000	0.000	0.000
459	A	468	GLU	-1	-0.944	-0.990	11.875	69.295	69.295	0.000	0.000	0.000	0.000
460	A	469	PHE	0	0.045	0.013	12.454	-1.894	-1.894	0.000	0.000	0.000	0.000
461	A	470	GLU	-1	-0.972	-0.984	14.155	59.186	59.186	0.000	0.000	0.000	0.000
462	A	471	PRO	0	-0.056	-0.020	12.134	1.691	1.691	0.000	0.000	0.000	0.000
463	A	472	VAL	0	-0.016	-0.019	12.642	-5.272	-5.272	0.000	0.000	0.000	0.000
464	A	473	ASP	-1	-0.836	-0.900	12.579	65.932	65.932	0.000	0.000	0.000	0.000
465	A	474	LYS	1	0.933	0.961	14.111	-57.745	-57.745	0.000	0.000	0.000	0.000
466	A	475	LEU	0	0.001	0.000	16.734	-3.077	-3.077	0.000	0.000	0.000	0.000
467	S	1	MME	1	0.822	0.911	19.506	-48.494	-48.494	0.000	0.000	0.000	0.000
468	S	2	GLN	0	0.064	0.033	21.117	-2.048	-2.048	0.000	0.000	0.000	0.000
469	S	3	VAL	0	0.032	0.021	20.544	2.475	2.475	0.000	0.000	0.000	0.000
470	S	4	TRP	0	0.027	0.018	19.146	-1.113	-1.113	0.000	0.000	0.000	0.000
471	S	5	PRO	0	0.065	0.024	21.277	-0.496	-0.496	0.000	0.000	0.000	0.000
472	S	6	ILE	0	0.021	0.006	23.248	1.698	1.698	0.000	0.000	0.000	0.000
473	S	7	GLU	-1	-0.933	-0.963	25.119	37.157	37.157	0.000	0.000	0.000	0.000
474	S	8	GLY	0	-0.014	-0.008	28.075	0.097	0.097	0.000	0.000	0.000	0.000
475	S	9	ILE	0	-0.042	-0.020	23.851	-0.152	-0.152	0.000	0.000	0.000	0.000
476	S	10	LYS	1	0.906	0.968	24.591	-39.953	-39.953	0.000	0.000	0.000	0.000
477	S	11	LYS	1	0.788	0.894	21.478	-49.426	-49.426	0.000	0.000	0.000	0.000
478	S	12	PHE	0	-0.015	-0.028	24.321	-1.118	-1.118	0.000	0.000	0.000	0.000
479	S	13	GLU	-1	-0.760	-0.861	20.447	57.211	57.211	0.000	0.000	0.000	0.000
480	S	14	THR	0	-0.038	-0.021	21.232	1.045	1.045	0.000	0.000	0.000	0.000
481	S	15	LEU	0	0.019	0.012	21.705	-2.276	-2.276	0.000	0.000	0.000	0.000
482	S	16	SER	0	-0.040	-0.013	22.801	-1.242	-1.242	0.000	0.000	0.000	0.000
483	S	17	TYR	0	-0.013	-0.029	18.692	-0.329	-0.329	0.000	0.000	0.000	0.000
484	S	18	LEU	0	-0.030	-0.001	21.454	0.767	0.767	0.000	0.000	0.000	0.000
485	S	19	PRO	0	-0.036	-0.023	23.954	-0.954	-0.954	0.000	0.000	0.000	0.000
486	S	20	PRO	0	-0.025	-0.017	27.455	0.120	0.120	0.000	0.000	0.000	0.000
487	S	21	LEU	0	0.023	0.022	27.476	-0.335	-0.335	0.000	0.000	0.000	0.000
488	S	22	THR	0	-0.013	-0.003	31.097	-1.567	-1.567	0.000	0.000	0.000	0.000
489	S	23	VAL	0	0.014	-0.012	34.375	0.356	0.356	0.000	0.000	0.000	0.000
490	S	24	GLU	-1	-0.851	-0.911	33.494	36.583	36.583	0.000	0.000	0.000	0.000
491	S	25	ASP	-1	-0.722	-0.843	30.678	39.249	39.249	0.000	0.000	0.000	0.000
492	S	26	LEU	0	-0.053	-0.041	31.794	0.852	0.852	0.000	0.000	0.000	0.000
493	S	27	LEU	0	-0.006	-0.016	33.440	0.164	0.164	0.000	0.000	0.000	0.000
494	S	28	LYS	1	0.885	0.937	31.902	-36.049	-36.049	0.000	0.000	0.000	0.000
495	S	29	GLN	0	0.024	0.028	27.027	1.684	1.684	0.000	0.000	0.000	0.000
496	S	30	ILE	0	-0.017	-0.006	30.869	0.316	0.316	0.000	0.000	0.000	0.000
497	S	31	GLU	-1	-0.933	-0.989	34.026	33.998	33.998	0.000	0.000	0.000	0.000
498	S	32	TYR	0	-0.048	-0.007	24.497	-0.181	-0.181	0.000	0.000	0.000	0.000
499	S	33	LEU	0	-0.016	0.007	30.402	0.338	0.338	0.000	0.000	0.000	0.000
500	S	34	LEU	0	0.015	-0.001	31.392	-0.230	-0.230	0.000	0.000	0.000	0.000
501	S	35	ARG	1	0.861	0.936	30.481	-39.509	-39.509	0.000	0.000	0.000	0.000
502	S	36	SER	0	-0.046	-0.021	28.712	0.166	0.166	0.000	0.000	0.000	0.000
503	S	37	LYS	1	0.863	0.938	30.579	-34.361	-34.361	0.000	0.000	0.000	0.000
504	S	38	TRP	0	0.042	0.032	25.491	-0.011	-0.011	0.000	0.000	0.000	0.000
505	S	39	VAL	0	-0.017	-0.018	32.032	-1.200	-1.200	0.000	0.000	0.000	0.000
506	S	40	PRO	0	0.008	0.017	33.567	0.937	0.937	0.000	0.000	0.000	0.000
507	S	41	CYS	0	-0.015	-0.006	34.678	-1.412	-1.412	0.000	0.000	0.000	0.000
508	S	42	LEU	0	0.030	0.042	35.088	0.963	0.963	0.000	0.000	0.000	0.000
509	S	43	GLU	-1	-0.843	-0.913	32.659	37.684	37.684	0.000	0.000	0.000	0.000
510	S	44	PHE	0	-0.032	-0.025	35.829	0.309	0.309	0.000	0.000	0.000	0.000
511	S	45	SER	0	0.034	-0.006	34.749	-0.594	-0.594	0.000	0.000	0.000	0.000
512	S	46	LYS	1	0.915	0.962	36.708	-28.387	-28.387	0.000	0.000	0.000	0.000
513	S	47	VAL	0	-0.024	0.005	33.284	-0.082	-0.082	0.000	0.000	0.000	0.000
514	S	48	GLY	0	0.015	0.012	31.778	0.326	0.326	0.000	0.000	0.000	0.000
515	S	49	PHE	0	-0.018	-0.007	27.278	0.796	0.796	0.000	0.000	0.000	0.000
516	S	50	VAL	0	0.039	0.030	25.141	-1.081	-1.081	0.000	0.000	0.000	0.000
517	S	51	TYR	0	-0.048	-0.025	28.486	0.333	0.333	0.000	0.000	0.000	0.000
518	S	52	ARG	1	0.757	0.881	23.919	-45.833	-45.833	0.000	0.000	0.000	0.000
519	S	53	GLU	-1	-0.960	-0.977	29.997	32.558	32.558	0.000	0.000	0.000	0.000
520	S	54	ASN	0	-0.036	-0.026	33.524	-1.380	-1.380	0.000	0.000	0.000	0.000
521	S	55	HIS	0	0.033	0.036	30.207	0.761	0.761	0.000	0.000	0.000	0.000
522	S	56	ARG	1	0.925	0.961	27.336	-38.933	-38.933	0.000	0.000	0.000	0.000
523	S	57	SER	0	-0.024	-0.020	26.191	1.382	1.382	0.000	0.000	0.000	0.000
524	S	58	PRO	0	0.047	0.021	21.205	-0.024	-0.024	0.000	0.000	0.000	0.000
525	S	59	GLY	0	0.029	0.030	22.411	-0.688	-0.688	0.000	0.000	0.000	0.000
526	S	60	TYR	0	-0.091	-0.048	23.314	-0.911	-0.911	0.000	0.000	0.000	0.000
527	S	61	TYR	0	0.039	-0.010	21.377	1.059	1.059	0.000	0.000	0.000	0.000
528	S	62	ASP	-1	-0.741	-0.842	27.802	36.258	36.258	0.000	0.000	0.000	0.000
529	S	63	GLY	0	0.057	0.008	29.726	1.065	1.065	0.000	0.000	0.000	0.000
530	S	64	ARG	1	0.824	0.923	25.043	-44.709	-44.709	0.000	0.000	0.000	0.000
531	S	65	TYR	0	0.006	0.002	29.614	0.225	0.225	0.000	0.000	0.000	0.000
532	S	66	TRP	0	-0.016	-0.002	31.068	-0.425	-0.425	0.000	0.000	0.000	0.000
533	S	67	THR	0	-0.024	-0.015	34.941	-0.370	-0.370	0.000	0.000	0.000	0.000
534	S	68	MET	0	0.025	0.023	36.976	0.132	0.132	0.000	0.000	0.000	0.000
535	S	69	TRP	0	-0.036	-0.026	39.171	-0.953	-0.953	0.000	0.000	0.000	0.000
536	S	70	LYS	1	0.776	0.879	41.241	-27.254	-27.254	0.000	0.000	0.000	0.000
537	S	71	LEU	0	0.019	0.000	41.026	0.132	0.132	0.000	0.000	0.000	0.000
538	S	72	PRO	0	0.019	0.004	36.736	0.080	0.080	0.000	0.000	0.000	0.000
539	S	73	MET	0	-0.029	-0.005	38.472	-0.668	-0.668	0.000	0.000	0.000	0.000
540	S	74	PHE	0	0.027	-0.008	36.996	0.439	0.439	0.000	0.000	0.000	0.000
541	S	75	GLY	0	0.010	0.003	39.693	-0.737	-0.737	0.000	0.000	0.000	0.000
542	S	76	CYS	0	-0.072	-0.006	39.296	-0.650	-0.650	0.000	0.000	0.000	0.000
543	S	77	THR	0	0.020	0.003	39.460	0.569	0.569	0.000	0.000	0.000	0.000
544	S	78	ASP	-1	-0.869	-0.957	41.026	29.026	29.026	0.000	0.000	0.000	0.000
545	S	79	ALA	0	0.075	0.027	38.044	-0.009	-0.009	0.000	0.000	0.000	0.000
546	S	80	THR	0	0.015	-0.004	39.687	0.279	0.279	0.000	0.000	0.000	0.000
547	S	81	GLN	0	0.001	0.006	42.511	-0.461	-0.461	0.000	0.000	0.000	0.000
548	S	82	VAL	0	-0.002	-0.009	36.900	-0.198	-0.198	0.000	0.000	0.000	0.000
549	S	83	LEU	0	0.009	0.016	37.797	0.069	0.069	0.000	0.000	0.000	0.000
550	S	84	LYS	1	0.960	0.984	40.655	-26.320	-26.320	0.000	0.000	0.000	0.000
551	S	85	GLU	-1	-0.762	-0.871	41.655	27.754	27.754	0.000	0.000	0.000	0.000
552	S	86	LEU	0	0.001	0.003	36.953	0.018	0.018	0.000	0.000	0.000	0.000
553	S	87	GLU	-1	-0.935	-0.976	40.501	29.155	29.155	0.000	0.000	0.000	0.000
554	S	88	GLU	-1	-0.975	-0.994	43.373	26.016	26.016	0.000	0.000	0.000	0.000
555	S	89	ALA	0	0.004	0.001	40.849	-0.378	-0.378	0.000	0.000	0.000	0.000
556	S	90	LYS	1	0.882	0.946	39.499	-30.578	-30.578	0.000	0.000	0.000	0.000
557	S	91	LYS	1	0.906	0.962	42.448	-25.747	-25.747	0.000	0.000	0.000	0.000
558	S	92	ALA	0	-0.045	-0.022	45.400	-0.508	-0.508	0.000	0.000	0.000	0.000
559	S	93	TYR	0	-0.034	-0.016	42.172	-0.403	-0.403	0.000	0.000	0.000	0.000
560	S	94	PRO	0	0.037	0.032	41.798	0.840	0.840	0.000	0.000	0.000	0.000
561	S	95	ASP	-1	-0.849	-0.928	41.198	28.992	28.992	0.000	0.000	0.000	0.000
562	S	96	ALA	0	-0.033	-0.018	38.632	0.403	0.403	0.000	0.000	0.000	0.000
563	S	97	PHE	0	0.018	0.005	32.614	0.104	0.104	0.000	0.000	0.000	0.000
564	S	98	VAL	0	-0.006	-0.015	35.077	-0.476	-0.476	0.000	0.000	0.000	0.000
565	S	99	ARG	1	0.811	0.912	29.538	-39.607	-39.607	0.000	0.000	0.000	0.000
566	S	100	ILE	0	0.017	0.008	31.886	-1.296	-1.296	0.000	0.000	0.000	0.000
567	S	101	ILE	0	-0.011	-0.002	30.039	1.492	1.492	0.000	0.000	0.000	0.000
568	S	102	GLY	0	0.056	0.005	29.660	-1.551	-1.551	0.000	0.000	0.000	0.000
569	S	103	PHE	0	-0.069	-0.024	28.822	1.539	1.539	0.000	0.000	0.000	0.000
570	S	104	ASP	-1	-0.795	-0.880	27.291	41.047	41.047	0.000	0.000	0.000	0.000
571	S	105	ASN	0	-0.029	-0.048	29.115	1.005	1.005	0.000	0.000	0.000	0.000
572	S	106	VAL	0	-0.013	0.008	28.386	-0.501	-0.501	0.000	0.000	0.000	0.000
573	S	107	ARG	1	0.906	0.945	20.405	-52.583	-52.583	0.000	0.000	0.000	0.000
574	S	108	GLN	0	-0.043	-0.003	26.135	0.930	0.930	0.000	0.000	0.000	0.000
575	S	109	VAL	0	0.025	0.005	22.990	1.102	1.102	0.000	0.000	0.000	0.000
576	S	110	GLN	0	0.023	0.003	26.093	-0.176	-0.176	0.000	0.000	0.000	0.000
577	S	111	LEU	0	-0.028	-0.024	23.286	2.282	2.282	0.000	0.000	0.000	0.000
578	S	112	ILE	0	0.007	0.001	24.563	1.411	1.411	0.000	0.000	0.000	0.000
579	S	113	SER	0	-0.005	-0.011	26.195	-1.722	-1.722	0.000	0.000	0.000	0.000
580	S	114	PHE	0	0.029	0.024	26.070	1.472	1.472	0.000	0.000	0.000	0.000
581	S	115	ILE	0	0.004	-0.002	28.092	-1.601	-1.601	0.000	0.000	0.000	0.000
582	S	116	ALA	0	0.016	0.005	30.303	0.237	0.237	0.000	0.000	0.000	0.000
583	S	117	TYR	0	-0.084	-0.063	33.389	-1.067	-1.067	0.000	0.000	0.000	0.000
584	S	118	LYS	0	0.024	0.020	29.820	0.667	0.667	0.000	0.000	0.000	0.000
585	S	119	PRO	0	0.017	0.029	35.073	-0.575	-0.575	0.000	0.000	0.000	0.000
586	S	120	PRO	0	-0.016	-0.015	37.204	0.612	0.612	0.000	0.000	0.000	0.000
587	S	121	GLY	0	0.011	0.003	37.584	-0.405	-0.405	0.000	0.000	0.000	0.000
588	S	122	CYS	0	-0.072	-0.022	31.597	0.449	0.449	0.000	0.000	0.000	0.000
589	E	12	GLY	0	0.017	-0.005	20.181	-0.579	-0.579	0.000	0.000	0.000	0.000
590	E	13	PHE	0	-0.037	-0.002	11.537	0.330	0.330	0.000	0.000	0.000	0.000
591	E	14	LYS	1	0.952	0.973	15.471	-62.200	-62.200	0.000	0.000	0.000	0.000
592	E	15	ALA	0	0.037	0.026	12.384	2.594	2.594	0.000	0.000	0.000	0.000
593	E	16	GLY	0	0.034	0.003	11.252	-4.982	-4.982	0.000	0.000	0.000	0.000
594	E	17	VAL	0	0.004	0.001	9.326	3.108	3.108	0.000	0.000	0.000	0.000
595	E	18	LYS	1	0.897	0.963	11.519	-76.930	-76.930	0.000	0.000	0.000	0.000
596	E	19	ASP	-1	-0.869	-0.929	12.314	72.706	72.706	0.000	0.000	0.000	0.000
597	E	20	TYR	0	-0.047	-0.056	6.578	-4.209	-4.209	0.000	0.000	0.000	0.000
598	E	21	LYS	1	0.942	0.947	13.242	-60.852	-60.852	0.000	0.000	0.000	0.000
599	E	22	LEU	0	-0.060	-0.025	16.147	-3.427	-3.427	0.000	0.000	0.000	0.000
600	E	23	THR	0	-0.047	-0.018	13.754	-3.644	-3.644	0.000	0.000	0.000	0.000
601	E	24	TYR	0	-0.029	-0.034	11.022	-0.444	-0.444	0.000	0.000	0.000	0.000
602	E	25	TYR	0	0.011	0.021	16.039	0.001	0.001	0.000	0.000	0.000	0.000
603	E	26	THR	0	-0.056	-0.044	19.327	-0.070	-0.070	0.000	0.000	0.000	0.000
604	E	27	PRO	0	-0.008	0.005	22.051	-0.624	-0.624	0.000	0.000	0.000	0.000
605	E	28	GLU	-1	-0.877	-0.941	24.397	47.534	47.534	0.000	0.000	0.000	0.000
606	E	29	TYR	0	-0.116	-0.087	23.707	-0.630	-0.630	0.000	0.000	0.000	0.000
607	E	30	GLU	-1	-0.929	-0.947	25.881	38.480	38.480	0.000	0.000	0.000	0.000
608	E	31	THR	0	-0.048	-0.036	24.891	0.666	0.666	0.000	0.000	0.000	0.000
609	E	32	LYS	1	0.942	0.969	24.751	-47.806	-47.806	0.000	0.000	0.000	0.000
610	E	33	ASP	-1	-0.878	-0.942	26.725	40.200	40.200	0.000	0.000	0.000	0.000
611	E	34	THR	0	-0.053	-0.038	24.929	-0.343	-0.343	0.000	0.000	0.000	0.000
612	E	35	ASP	-1	-0.815	-0.876	22.430	53.009	53.009	0.000	0.000	0.000	0.000
613	E	36	ILE	0	0.009	0.009	18.400	-2.113	-2.113	0.000	0.000	0.000	0.000
614	E	37	LEU	0	-0.055	-0.009	20.235	2.034	2.034	0.000	0.000	0.000	0.000
615	E	38	ALA	0	0.033	0.019	17.536	-0.293	-0.293	0.000	0.000	0.000	0.000
616	E	39	ALA	0	-0.002	0.012	19.474	-0.272	-0.272	0.000	0.000	0.000	0.000
617	E	40	PHE	0	0.018	-0.007	13.571	0.314	0.314	0.000	0.000	0.000	0.000
618	E	41	ARG	1	0.832	0.921	18.707	-51.654	-51.654	0.000	0.000	0.000	0.000
619	E	42	VAL	0	0.018	-0.004	16.453	3.041	3.041	0.000	0.000	0.000	0.000
620	E	43	THR	0	0.016	0.008	17.475	-4.548	-4.548	0.000	0.000	0.000	0.000
621	E	44	PRO	0	0.007	0.010	17.021	4.240	4.240	0.000	0.000	0.000	0.000
622	E	45	GLN	0	-0.007	0.000	13.975	-6.882	-6.882	0.000	0.000	0.000	0.000
623	E	46	PRO	0	0.028	0.008	17.844	-1.099	-1.099	0.000	0.000	0.000	0.000
624	E	47	GLY	0	0.001	0.002	20.468	1.419	1.419	0.000	0.000	0.000	0.000
625	E	48	VAL	0	-0.043	-0.008	16.136	1.074	1.074	0.000	0.000	0.000	0.000
626	E	49	PRO	0	-0.013	-0.005	18.502	-1.402	-1.402	0.000	0.000	0.000	0.000
627	E	50	PRO	0	0.085	0.035	19.264	3.578	3.578	0.000	0.000	0.000	0.000
628	E	51	GLU	-1	-0.880	-0.954	19.666	54.891	54.891	0.000	0.000	0.000	0.000
629	E	52	GLU	-1	-0.781	-0.890	13.814	79.804	79.804	0.000	0.000	0.000	0.000
630	E	53	ALA	0	0.003	0.005	15.121	5.284	5.284	0.000	0.000	0.000	0.000
631	E	54	GLY	0	0.012	0.000	14.842	3.843	3.843	0.000	0.000	0.000	0.000
632	E	55	ALA	0	-0.020	-0.005	15.404	2.047	2.047	0.000	0.000	0.000	0.000
633	E	56	ALA	0	0.000	0.005	11.051	3.891	3.891	0.000	0.000	0.000	0.000
634	E	57	VAL	0	-0.020	-0.006	10.787	8.159	8.159	0.000	0.000	0.000	0.000
635	E	58	ALA	0	0.016	0.012	11.683	2.801	2.801	0.000	0.000	0.000	0.000
636	E	59	ALA	0	-0.001	0.008	10.038	1.432	1.432	0.000	0.000	0.000	0.000
638	E	61	SER	0	0.033	0.043	7.349	7.147	7.147	0.000	0.000	0.000	0.000
639	E	62	SER	0	-0.061	-0.062	9.853	-7.590	-7.590	0.000	0.000	0.000	0.000
640	E	63	THR	0	-0.002	-0.011	9.882	2.134	2.134	0.000	0.000	0.000	0.000
641	E	64	GLY	0	0.002	0.017	7.985	1.780	1.780	0.000	0.000	0.000	0.000
644	E	67	THR	0	-0.014	0.001	5.269	-20.678	-20.678	0.000	0.000	0.000	0.000
645	E	68	THR	0	-0.045	-0.021	6.756	5.353	5.353	0.000	0.000	0.000	0.000
646	E	69	VAL	0	0.023	0.010	5.620	1.098	1.098	0.000	0.000	0.000	0.000
647	E	70	TRP	0	-0.017	-0.023	8.859	-7.691	-7.691	0.000	0.000	0.000	0.000
648	E	71	THR	0	-0.045	-0.047	9.276	-5.124	-5.124	0.000	0.000	0.000	0.000
649	E	72	ASP	-1	-0.821	-0.922	10.176	89.763	89.763	0.000	0.000	0.000	0.000
650	E	73	GLY	0	-0.049	-0.027	12.497	-3.955	-3.955	0.000	0.000	0.000	0.000
651	E	74	LEU	0	-0.103	-0.038	14.207	-3.803	-3.803	0.000	0.000	0.000	0.000
652	E	75	THR	0	-0.064	-0.042	14.107	-3.598	-3.598	0.000	0.000	0.000	0.000
653	E	76	SER	0	0.014	0.008	16.953	-1.132	-1.132	0.000	0.000	0.000	0.000
654	E	77	LEU	0	0.073	0.019	11.866	-0.440	-0.440	0.000	0.000	0.000	0.000
655	E	78	ASP	-1	-0.910	-0.939	15.934	54.800	54.800	0.000	0.000	0.000	0.000
656	E	79	ARG	1	0.892	0.957	19.291	-52.769	-52.769	0.000	0.000	0.000	0.000
657	E	80	TYR	0	-0.025	-0.036	15.121	-0.836	-0.836	0.000	0.000	0.000	0.000
658	E	81	LYS	1	0.881	0.968	14.484	-59.717	-59.717	0.000	0.000	0.000	0.000
659	E	82	GLY	0	0.059	0.022	14.481	-4.897	-4.897	0.000	0.000	0.000	0.000
660	E	83	ARG	1	0.770	0.886	15.877	-56.816	-56.816	0.000	0.000	0.000	0.000
661	E	84	CYS	0	-0.009	0.009	17.855	-2.371	-2.371	0.000	0.000	0.000	0.000
662	E	85	TYR	0	0.052	0.017	19.505	-0.284	-0.284	0.000	0.000	0.000	0.000
663	E	86	HIS	0	0.006	-0.007	22.760	-1.880	-1.880	0.000	0.000	0.000	0.000
664	E	87	ILE	0	0.008	0.008	20.782	2.523	2.523	0.000	0.000	0.000	0.000
665	E	88	GLU	-1	-0.887	-0.927	24.255	41.833	41.833	0.000	0.000	0.000	0.000
666	E	89	PRO	0	0.032	0.006	25.812	1.611	1.611	0.000	0.000	0.000	0.000
667	E	90	VAL	0	-0.051	-0.019	25.180	-1.123	-1.123	0.000	0.000	0.000	0.000
668	E	91	VAL	0	0.002	-0.013	28.102	-0.254	-0.254	0.000	0.000	0.000	0.000
669	E	92	GLY	0	-0.022	-0.016	31.128	-0.072	-0.072	0.000	0.000	0.000	0.000
670	E	93	GLU	-1	-0.954	-0.959	26.028	44.848	44.848	0.000	0.000	0.000	0.000
671	E	94	ASP	-1	-0.894	-0.934	26.825	40.982	40.982	0.000	0.000	0.000	0.000
672	E	95	ASN	0	-0.123	-0.087	21.057	1.223	1.223	0.000	0.000	0.000	0.000
673	E	96	GLN	0	0.084	0.042	21.878	1.741	1.741	0.000	0.000	0.000	0.000
674	E	97	TYR	0	0.015	0.002	21.876	-2.746	-2.746	0.000	0.000	0.000	0.000
675	E	98	ILE	0	-0.040	-0.005	22.097	1.955	1.955	0.000	0.000	0.000	0.000
676	E	99	ALA	0	-0.003	-0.004	18.833	-1.266	-1.266	0.000	0.000	0.000	0.000
677	E	100	TYR	0	-0.048	-0.028	20.066	1.082	1.082	0.000	0.000	0.000	0.000
678	E	101	VAL	0	-0.010	-0.002	15.830	0.443	0.443	0.000	0.000	0.000	0.000
679	E	102	ALA	0	0.006	0.013	19.168	-1.446	-1.446	0.000	0.000	0.000	0.000
680	E	103	TYR	0	-0.047	-0.045	13.240	2.061	2.061	0.000	0.000	0.000	0.000
681	E	104	PRO	0	0.028	0.016	17.083	-2.728	-2.728	0.000	0.000	0.000	0.000
682	E	105	LEU	0	0.061	0.021	18.533	2.120	2.120	0.000	0.000	0.000	0.000
683	E	106	ASP	-1	-0.919	-0.964	18.775	54.145	54.145	0.000	0.000	0.000	0.000
684	E	107	LEU	0	-0.091	-0.052	13.645	2.166	2.166	0.000	0.000	0.000	0.000
685	E	108	PHE	0	-0.023	-0.006	14.618	4.455	4.455	0.000	0.000	0.000	0.000
686	E	109	GLU	-1	-0.788	-0.881	16.131	59.135	59.135	0.000	0.000	0.000	0.000
687	E	110	GLU	-1	-0.780	-0.880	17.775	52.349	52.349	0.000	0.000	0.000	0.000
688	E	111	GLY	0	0.021	0.016	21.130	0.350	0.350	0.000	0.000	0.000	0.000
689	E	112	SER	0	-0.006	0.002	16.274	0.139	0.139	0.000	0.000	0.000	0.000
690	E	113	VAL	0	0.050	0.020	17.366	2.337	2.337	0.000	0.000	0.000	0.000
691	E	114	THR	0	-0.011	0.002	13.582	2.048	2.048	0.000	0.000	0.000	0.000
692	E	115	ASN	0	-0.003	-0.001	12.366	2.310	2.310	0.000	0.000	0.000	0.000
693	E	116	MET	0	0.001	0.015	12.793	3.592	3.592	0.000	0.000	0.000	0.000
694	E	117	PHE	0	-0.007	-0.023	12.699	2.250	2.250	0.000	0.000	0.000	0.000
695	E	118	THR	0	-0.002	0.021	7.929	3.570	3.570	0.000	0.000	0.000	0.000
696	E	119	SER	0	0.035	0.021	8.215	11.902	11.902	0.000	0.000	0.000	0.000
697	E	120	ILE	0	-0.084	-0.026	9.620	5.119	5.119	0.000	0.000	0.000	0.000
698	E	121	VAL	0	-0.003	-0.024	10.429	-0.045	-0.045	0.000	0.000	0.000	0.000
699	E	122	GLY	0	0.007	0.023	6.613	2.868	2.868	0.000	0.000	0.000	0.000
702	E	125	PHE	0	0.004	0.007	8.303	-3.224	-3.224	0.000	0.000	0.000	0.000
703	E	126	GLY	0	0.040	0.020	5.986	-6.856	-6.856	0.000	0.000	0.000	0.000
704	E	127	PHE	0	-0.024	-0.005	5.271	3.429	3.429	0.000	0.000	0.000	0.000
705	E	128	LYS	1	0.808	0.910	8.386	-119.022	-119.022	0.000	0.000	0.000	0.000
706	E	129	ALA	0	-0.001	0.007	10.242	-6.891	-6.891	0.000	0.000	0.000	0.000
707	E	130	LEU	0	-0.006	-0.001	11.927	-6.768	-6.768	0.000	0.000	0.000	0.000
708	E	131	ARG	1	0.936	0.963	12.991	-54.479	-54.479	0.000	0.000	0.000	0.000
709	E	132	ALA	0	-0.015	-0.011	14.611	0.046	0.046	0.000	0.000	0.000	0.000
710	E	133	LEU	0	-0.003	0.007	12.224	-0.387	-0.387	0.000	0.000	0.000	0.000
711	E	134	ARG	1	0.797	0.912	15.262	-50.855	-50.855	0.000	0.000	0.000	0.000
712	E	135	LEU	0	-0.030	0.000	15.462	-1.295	-1.295	0.000	0.000	0.000	0.000
713	E	136	GLU	-1	-0.767	-0.887	17.566	48.526	48.526	0.000	0.000	0.000	0.000
714	E	137	ASP	-1	-0.808	-0.924	20.821	44.589	44.589	0.000	0.000	0.000	0.000
715	E	138	LEU	0	0.030	0.007	17.273	2.770	2.770	0.000	0.000	0.000	0.000
716	E	139	ARG	1	0.842	0.943	21.381	-47.887	-47.887	0.000	0.000	0.000	0.000
717	E	140	ILE	0	0.021	-0.008	21.020	1.816	1.816	0.000	0.000	0.000	0.000
718	E	141	PRO	0	0.003	0.019	23.247	-1.960	-1.960	0.000	0.000	0.000	0.000
719	E	142	PRO	0	0.128	0.045	26.295	0.936	0.936	0.000	0.000	0.000	0.000
720	E	143	THR	0	-0.004	-0.009	25.750	-0.338	-0.338	0.000	0.000	0.000	0.000
721	E	144	TYR	0	-0.019	-0.020	18.644	0.580	0.580	0.000	0.000	0.000	0.000
722	E	145	SER	0	0.063	0.031	24.568	0.193	0.193	0.000	0.000	0.000	0.000
723	E	146	LYS	1	0.978	0.989	26.327	-36.484	-36.484	0.000	0.000	0.000	0.000
724	E	147	THR	0	-0.114	-0.060	23.981	-0.162	-0.162	0.000	0.000	0.000	0.000
725	E	148	PHE	0	-0.005	-0.005	20.589	0.903	0.903	0.000	0.000	0.000	0.000
726	E	149	GLN	0	-0.045	-0.025	26.411	-1.532	-1.532	0.000	0.000	0.000	0.000
727	E	150	GLY	0	0.057	0.035	27.761	-1.256	-1.256	0.000	0.000	0.000	0.000
728	E	151	PRO	0	-0.068	-0.031	29.026	-0.034	-0.034	0.000	0.000	0.000	0.000
729	E	152	PRO	0	-0.036	-0.005	30.690	-0.604	-0.604	0.000	0.000	0.000	0.000
730	E	153	HIS	0	-0.083	-0.039	33.459	-1.604	-1.604	0.000	0.000	0.000	0.000
731	E	154	GLY	0	0.043	0.008	35.421	-0.253	-0.253	0.000	0.000	0.000	0.000
732	E	155	ILE	0	-0.051	-0.021	36.270	-0.865	-0.865	0.000	0.000	0.000	0.000
733	E	156	GLN	0	0.003	-0.001	38.788	0.006	0.006	0.000	0.000	0.000	0.000
734	E	157	VAL	0	0.077	0.046	39.604	-0.630	-0.630	0.000	0.000	0.000	0.000
735	E	158	GLU	-1	-0.788	-0.875	37.929	30.820	30.820	0.000	0.000	0.000	0.000
736	E	159	ARG	1	0.789	0.871	41.055	-28.270	-28.270	0.000	0.000	0.000	0.000
737	E	160	ASP	-1	-0.821	-0.895	44.141	25.811	25.811	0.000	0.000	0.000	0.000
738	E	161	LYS	1	0.825	0.929	41.285	-29.442	-29.442	0.000	0.000	0.000	0.000
739	E	162	LEU	0	-0.015	-0.011	41.750	-0.546	-0.546	0.000	0.000	0.000	0.000
740	E	163	ASN	0	-0.004	0.009	46.109	-0.334	-0.334	0.000	0.000	0.000	0.000
741	E	164	LYS	1	0.722	0.856	45.283	-26.060	-26.060	0.000	0.000	0.000	0.000
742	E	165	TYR	0	-0.004	-0.032	46.682	0.395	0.395	0.000	0.000	0.000	0.000
743	E	166	GLY	0	0.020	0.030	48.125	-0.451	-0.451	0.000	0.000	0.000	0.000
744	E	167	ARG	1	0.772	0.879	46.422	-25.793	-25.793	0.000	0.000	0.000	0.000
745	E	168	PRO	0	-0.002	0.029	42.597	0.236	0.236	0.000	0.000	0.000	0.000
746	E	169	LEU	0	-0.036	-0.014	40.589	-0.628	-0.628	0.000	0.000	0.000	0.000
747	E	170	LEU	0	-0.009	-0.003	42.210	0.340	0.340	0.000	0.000	0.000	0.000
748	E	171	GLY	0	0.051	0.010	39.866	-0.166	-0.166	0.000	0.000	0.000	0.000
749	E	172	CYS	0	-0.046	-0.009	39.694	-0.354	-0.354	0.000	0.000	0.000	0.000
750	E	173	THR	0	0.129	0.044	34.660	-0.192	-0.192	0.000	0.000	0.000	0.000
751	E	174	ILE	0	-0.042	-0.024	37.602	-0.691	-0.691	0.000	0.000	0.000	0.000
752	E	175	LYS	1	0.849	0.915	34.682	-32.103	-32.103	0.000	0.000	0.000	0.000
753	E	176	PRO	0	0.039	0.021	38.167	-0.882	-0.882	0.000	0.000	0.000	0.000
754	E	177	LYS	1	0.771	0.888	30.493	-36.409	-36.409	0.000	0.000	0.000	0.000
755	E	178	LEU	0	-0.030	-0.009	30.404	0.175	0.175	0.000	0.000	0.000	0.000
756	E	179	GLY	0	0.044	0.010	35.057	-0.595	-0.595	0.000	0.000	0.000	0.000
757	E	180	LEU	0	-0.046	0.011	37.960	-0.943	-0.943	0.000	0.000	0.000	0.000
758	E	181	SER	0	0.065	0.026	39.426	0.497	0.497	0.000	0.000	0.000	0.000
759	E	182	ALA	0	0.089	0.032	40.999	-0.061	-0.061	0.000	0.000	0.000	0.000
760	E	183	LYS	1	0.938	0.983	41.929	-24.132	-24.132	0.000	0.000	0.000	0.000
761	E	184	ASN	0	-0.001	-0.020	44.117	-0.871	-0.871	0.000	0.000	0.000	0.000
762	E	185	TYR	0	0.076	0.043	36.372	-0.168	-0.168	0.000	0.000	0.000	0.000
763	E	186	GLY	0	0.058	0.027	42.448	-0.040	-0.040	0.000	0.000	0.000	0.000
764	E	187	ARG	1	0.895	0.946	44.870	-24.298	-24.298	0.000	0.000	0.000	0.000
765	E	188	ALA	0	-0.008	-0.006	43.580	-0.383	-0.383	0.000	0.000	0.000	0.000
766	E	189	CYS	0	0.019	0.011	42.840	-0.255	-0.255	0.000	0.000	0.000	0.000
767	E	190	TYR	0	-0.045	-0.058	44.592	-0.250	-0.250	0.000	0.000	0.000	0.000
768	E	191	GLU	-1	-0.895	-0.953	48.208	22.617	22.617	0.000	0.000	0.000	0.000
769	E	192	CYS	0	-0.047	-0.021	43.831	-0.339	-0.339	0.000	0.000	0.000	0.000
770	E	193	LEU	0	0.015	0.010	43.940	-0.240	-0.240	0.000	0.000	0.000	0.000
771	E	194	ARG	1	0.733	0.850	47.591	-22.346	-22.346	0.000	0.000	0.000	0.000
772	E	195	GLY	0	-0.035	-0.008	50.341	-0.458	-0.458	0.000	0.000	0.000	0.000
773	E	196	GLY	0	0.016	0.005	50.158	-0.212	-0.212	0.000	0.000	0.000	0.000
774	E	197	LEU	0	-0.033	-0.001	43.758	0.158	0.158	0.000	0.000	0.000	0.000
775	E	198	ASP	-1	-0.748	-0.849	43.675	25.865	25.865	0.000	0.000	0.000	0.000
776	E	199	PHE	0	0.004	-0.010	40.071	0.060	0.060	0.000	0.000	0.000	0.000
777	E	200	THR	0	-0.014	-0.025	40.629	-0.491	-0.491	0.000	0.000	0.000	0.000
778	E	201	KCX	-1	-0.520	-0.796	32.317	36.079	36.079	0.000	0.000	0.000	0.000
779	E	202	ASP	-1	-0.683	-0.829	33.650	32.073	32.073	0.000	0.000	0.000	0.000
780	E	203	ASP	0	0.199	0.050	33.071	0.393	0.393	0.000	0.000	0.000	0.000
781	E	204	GLU	0	0.174	-0.018	27.481	-0.011	-0.011	0.000	0.000	0.000	0.000
782	E	2476	merge:E:AS	-1	-2.295	-1.609	27.224	35.901	35.901	0.000	0.000	0.000	0.000
783	E	205	ASN	0	0.008	-0.003	27.693	-0.053	-0.053	0.000	0.000	0.000	0.000
784	E	206	VAL	0	-0.055	-0.003	28.808	-0.259	-0.259	0.000	0.000	0.000	0.000
785	E	207	ASN	0	-0.022	0.004	26.978	1.510	1.510	0.000	0.000	0.000	0.000
786	E	208	SER	0	0.020	-0.003	30.432	-1.910	-1.910	0.000	0.000	0.000	0.000
787	E	209	GLN	0	0.013	-0.003	30.168	0.389	0.389	0.000	0.000	0.000	0.000
788	E	210	PRO	0	0.002	-0.002	32.598	-1.072	-1.072	0.000	0.000	0.000	0.000
789	E	211	PHE	0	-0.050	-0.006	33.317	-1.010	-1.010	0.000	0.000	0.000	0.000
790	E	212	MET	0	-0.036	-0.006	36.233	-1.260	-1.260	0.000	0.000	0.000	0.000
791	E	213	ARG	1	0.817	0.914	32.552	-32.745	-32.745	0.000	0.000	0.000	0.000
792	E	214	TRP	0	0.046	0.005	33.616	-0.963	-0.963	0.000	0.000	0.000	0.000
793	E	215	ARG	1	0.974	1.005	35.930	-29.071	-29.071	0.000	0.000	0.000	0.000
794	E	216	ASP	-1	-0.876	-0.941	38.648	27.748	27.748	0.000	0.000	0.000	0.000
795	E	217	ARG	1	0.798	0.865	33.424	-33.754	-33.754	0.000	0.000	0.000	0.000
796	E	218	PHE	0	0.000	-0.008	34.116	-0.577	-0.577	0.000	0.000	0.000	0.000
797	E	219	VAL	0	0.010	0.020	40.098	-0.495	-0.495	0.000	0.000	0.000	0.000
798	E	220	PHE	0	0.001	-0.018	43.547	-0.661	-0.661	0.000	0.000	0.000	0.000
799	E	221	CYS	0	-0.017	-0.010	40.302	-0.548	-0.548	0.000	0.000	0.000	0.000
800	E	222	ALA	0	0.029	0.025	43.301	-0.284	-0.284	0.000	0.000	0.000	0.000
801	E	223	GLU	-1	-0.971	-0.982	44.741	23.330	23.330	0.000	0.000	0.000	0.000
802	E	224	ALA	0	-0.022	-0.017	45.661	-0.535	-0.535	0.000	0.000	0.000	0.000
803	E	225	ILE	0	0.030	0.019	42.002	-0.370	-0.370	0.000	0.000	0.000	0.000
804	E	226	TYR	0	-0.053	-0.050	45.660	-0.425	-0.425	0.000	0.000	0.000	0.000
805	E	227	LYS	1	0.928	0.991	49.661	-22.652	-22.652	0.000	0.000	0.000	0.000
806	E	228	SER	0	0.025	-0.007	48.529	-0.387	-0.387	0.000	0.000	0.000	0.000
807	E	229	GLN	0	0.029	0.027	48.728	0.096	0.096	0.000	0.000	0.000	0.000
808	E	230	ALA	0	-0.046	-0.014	51.332	-0.387	-0.387	0.000	0.000	0.000	0.000
809	E	231	GLU	-1	-0.824	-0.902	54.370	21.608	21.608	0.000	0.000	0.000	0.000
810	E	232	THR	0	-0.021	-0.028	52.314	-0.301	-0.301	0.000	0.000	0.000	0.000
811	E	233	GLY	0	-0.012	-0.003	54.520	-0.300	-0.300	0.000	0.000	0.000	0.000
812	E	234	GLU	-1	-0.755	-0.856	50.473	23.550	23.550	0.000	0.000	0.000	0.000
813	E	235	ILE	0	-0.010	-0.008	46.071	0.040	0.040	0.000	0.000	0.000	0.000
814	E	236	LYS	1	0.857	0.955	46.003	-24.510	-24.510	0.000	0.000	0.000	0.000
815	E	237	GLY	0	0.010	-0.004	42.066	0.091	0.091	0.000	0.000	0.000	0.000
816	E	238	HIS	0	-0.006	0.003	37.814	-0.799	-0.799	0.000	0.000	0.000	0.000
817	E	239	TYR	0	-0.031	-0.040	34.368	-0.124	-0.124	0.000	0.000	0.000	0.000
818	E	240	LEU	0	-0.031	-0.001	35.731	0.217	0.217	0.000	0.000	0.000	0.000
819	E	241	ASN	0	0.000	-0.019	29.139	1.215	1.215	0.000	0.000	0.000	0.000
820	E	242	ALA	0	-0.007	-0.002	29.784	-0.491	-0.491	0.000	0.000	0.000	0.000
821	E	243	THR	0	-0.006	-0.001	24.499	1.169	1.169	0.000	0.000	0.000	0.000
822	E	244	ALA	0	0.002	-0.001	25.230	-1.276	-1.276	0.000	0.000	0.000	0.000
823	E	245	GLY	0	0.037	0.016	22.950	1.714	1.714	0.000	0.000	0.000	0.000
824	E	246	THR	0	0.035	0.026	22.028	1.606	1.606	0.000	0.000	0.000	0.000
825	E	248	GLU	-1	-0.826	-0.903	24.889	43.738	43.738	0.000	0.000	0.000	0.000
826	E	249	GLU	-1	-0.814	-0.896	27.416	34.898	34.898	0.000	0.000	0.000	0.000
827	E	250	MET	0	-0.007	0.020	25.643	-0.999	-0.999	0.000	0.000	0.000	0.000
828	E	251	ILE	0	0.015	0.000	28.338	-1.456	-1.456	0.000	0.000	0.000	0.000
829	E	252	LYS	1	0.832	0.918	30.633	-36.630	-36.630	0.000	0.000	0.000	0.000
830	E	253	ARG	1	0.734	0.844	29.651	-39.100	-39.100	0.000	0.000	0.000	0.000
831	E	254	ALA	0	0.062	0.027	32.096	-1.064	-1.064	0.000	0.000	0.000	0.000
832	E	255	VAL	0	-0.008	0.000	34.012	-1.055	-1.055	0.000	0.000	0.000	0.000
833	E	256	PHE	0	-0.053	-0.021	36.524	-1.029	-1.029	0.000	0.000	0.000	0.000
834	E	257	ALA	0	0.023	0.013	36.915	-0.867	-0.867	0.000	0.000	0.000	0.000
835	E	258	ARG	1	0.901	0.939	38.098	-30.156	-30.156	0.000	0.000	0.000	0.000
836	E	259	GLU	-1	-1.009	-1.007	39.902	26.878	26.878	0.000	0.000	0.000	0.000
837	E	260	LEU	0	-0.034	-0.016	40.935	-0.796	-0.796	0.000	0.000	0.000	0.000
838	E	261	GLY	0	0.033	0.034	42.945	-0.653	-0.653	0.000	0.000	0.000	0.000
839	E	262	VAL	0	-0.073	-0.033	39.802	-0.398	-0.398	0.000	0.000	0.000	0.000
840	E	263	PRO	0	0.020	-0.006	41.272	0.464	0.464	0.000	0.000	0.000	0.000
841	E	264	ILE	0	-0.036	0.001	36.238	0.306	0.306	0.000	0.000	0.000	0.000
842	E	265	VAL	0	0.020	0.024	32.812	-0.409	-0.409	0.000	0.000	0.000	0.000
843	E	266	MET	0	-0.042	-0.003	30.185	-0.317	-0.317	0.000	0.000	0.000	0.000
844	E	267	HIS	0	-0.014	-0.025	23.128	0.398	0.398	0.000	0.000	0.000	0.000
845	E	268	ASP	-1	-0.772	-0.900	24.123	41.704	41.704	0.000	0.000	0.000	0.000
846	E	269	TYR	0	-0.052	-0.041	21.874	1.561	1.561	0.000	0.000	0.000	0.000
847	E	270	LEU	0	-0.036	-0.003	18.265	2.099	2.099	0.000	0.000	0.000	0.000
848	E	271	THR	0	-0.036	-0.025	18.033	2.397	2.397	0.000	0.000	0.000	0.000
849	E	272	GLY	0	0.043	0.030	19.258	0.896	0.896	0.000	0.000	0.000	0.000
850	E	273	GLY	0	-0.017	-0.013	18.001	2.161	2.161	0.000	0.000	0.000	0.000
851	E	274	PHE	0	0.071	0.012	16.828	-3.120	-3.120	0.000	0.000	0.000	0.000
852	E	275	THR	0	-0.007	0.021	17.300	-1.225	-1.225	0.000	0.000	0.000	0.000
853	E	276	ALA	0	0.030	-0.011	19.619	-2.270	-2.270	0.000	0.000	0.000	0.000
854	E	277	ASN	0	0.012	0.003	21.890	-2.990	-2.990	0.000	0.000	0.000	0.000
855	E	278	THR	0	0.003	0.014	21.481	-2.028	-2.028	0.000	0.000	0.000	0.000
856	E	279	SER	0	-0.007	-0.018	23.981	-0.683	-0.683	0.000	0.000	0.000	0.000
857	E	280	LEU	0	-0.008	-0.005	25.804	-1.898	-1.898	0.000	0.000	0.000	0.000
858	E	281	ALA	0	0.040	0.024	27.392	-1.817	-1.817	0.000	0.000	0.000	0.000
859	E	282	HIS	0	-0.022	-0.013	26.561	-0.403	-0.403	0.000	0.000	0.000	0.000
860	E	283	TYR	0	0.064	0.035	30.075	-1.600	-1.600	0.000	0.000	0.000	0.000
861	E	284	CYS	0	-0.053	-0.034	31.829	-1.389	-1.389	0.000	0.000	0.000	0.000
862	E	285	ARG	1	0.863	0.937	33.047	-35.927	-35.927	0.000	0.000	0.000	0.000
863	E	286	ASP	-1	-0.929	-0.970	33.806	33.520	33.520	0.000	0.000	0.000	0.000
864	E	287	ASN	0	-0.119	-0.058	35.442	-1.879	-1.879	0.000	0.000	0.000	0.000
865	E	288	GLY	0	-0.012	0.008	38.191	-0.656	-0.656	0.000	0.000	0.000	0.000
866	E	289	LEU	0	-0.064	-0.026	35.796	-0.538	-0.538	0.000	0.000	0.000	0.000
867	E	290	LEU	0	-0.023	-0.009	35.945	0.643	0.643	0.000	0.000	0.000	0.000
868	E	291	LEU	0	0.009	-0.008	28.720	-0.067	-0.067	0.000	0.000	0.000	0.000
869	E	292	HIS	0	0.032	0.016	31.675	-0.077	-0.077	0.000	0.000	0.000	0.000
870	E	293	ILE	0	0.005	0.007	25.986	0.635	0.635	0.000	0.000	0.000	0.000
871	E	294	HIS	0	0.604	0.504	27.175	0.590	0.590	0.000	0.000	0.000	0.000
872	E	295	ARG	1	0.766	0.849	24.210	-39.709	-39.709	0.000	0.000	0.000	0.000
873	E	296	ALA	0	0.027	0.025	23.437	1.296	1.296	0.000	0.000	0.000	0.000
874	E	297	MET	0	0.008	-0.012	15.047	1.635	1.635	0.000	0.000	0.000	0.000
875	E	298	HIS	1	0.823	0.879	19.570	-44.076	-44.076	0.000	0.000	0.000	0.000
876	E	299	ALA	0	0.010	0.021	20.325	1.338	1.338	0.000	0.000	0.000	0.000
877	E	300	VAL	0	-0.030	0.001	16.136	0.261	0.261	0.000	0.000	0.000	0.000
878	E	301	ILE	0	-0.019	-0.020	15.156	2.626	2.626	0.000	0.000	0.000	0.000
879	E	302	ASP	-1	-0.789	-0.887	17.425	49.936	49.936	0.000	0.000	0.000	0.000
880	E	303	ARG	1	0.809	0.911	20.624	-43.967	-43.967	0.000	0.000	0.000	0.000
881	E	304	GLN	0	-0.033	-0.024	20.086	-2.541	-2.541	0.000	0.000	0.000	0.000
882	E	305	LYS	1	0.926	0.961	21.246	-41.667	-41.667	0.000	0.000	0.000	0.000
883	E	306	ASN	0	-0.025	-0.024	19.028	0.383	0.383	0.000	0.000	0.000	0.000
884	E	307	HIS	0	-0.008	-0.017	12.033	-0.440	-0.440	0.000	0.000	0.000	0.000
885	E	308	GLY	0	0.049	0.039	15.223	-1.892	-1.892	0.000	0.000	0.000	0.000
886	E	309	MET	0	-0.032	-0.021	15.146	3.003	3.003	0.000	0.000	0.000	0.000
887	E	310	HIS	0	0.001	0.009	17.993	-1.182	-1.182	0.000	0.000	0.000	0.000
888	E	311	PHE	0	0.075	0.029	21.477	0.759	0.759	0.000	0.000	0.000	0.000
889	E	312	ARG	1	0.895	0.930	23.382	-46.223	-46.223	0.000	0.000	0.000	0.000
890	E	313	VAL	0	-0.019	0.003	18.127	-0.539	-0.539	0.000	0.000	0.000	0.000
891	E	314	LEU	0	0.000	0.002	17.903	0.415	0.415	0.000	0.000	0.000	0.000
892	E	315	ALA	0	-0.001	0.014	21.388	-0.702	-0.702	0.000	0.000	0.000	0.000
893	E	316	LYS	1	0.840	0.909	23.016	-46.977	-46.977	0.000	0.000	0.000	0.000
894	E	317	ALA	0	0.011	0.001	19.925	-0.572	-0.572	0.000	0.000	0.000	0.000
895	E	318	LEU	0	0.008	0.011	21.842	-0.027	-0.027	0.000	0.000	0.000	0.000
896	E	319	ARG	1	0.771	0.898	24.415	-38.405	-38.405	0.000	0.000	0.000	0.000
897	E	320	MET	0	-0.035	-0.024	21.107	-0.648	-0.648	0.000	0.000	0.000	0.000
898	E	321	SER	0	-0.055	-0.030	21.991	-0.921	-0.921	0.000	0.000	0.000	0.000
899	E	322	GLY	0	0.050	0.014	23.957	-0.804	-0.804	0.000	0.000	0.000	0.000
900	E	323	GLY	0	0.045	-0.005	27.478	0.603	0.603	0.000	0.000	0.000	0.000
901	E	324	ASP	-1	-0.743	-0.862	29.810	34.125	34.125	0.000	0.000	0.000	0.000
902	E	325	HIS	1	0.754	0.852	32.406	-33.723	-33.723	0.000	0.000	0.000	0.000
903	E	326	ILE	0	0.028	0.010	25.711	0.999	0.999	0.000	0.000	0.000	0.000
904	E	327	HIS	0	0.144	0.153	28.998	-1.268	-1.268	0.000	0.000	0.000	0.000
905	E	328	ALA	0	-0.011	-0.016	28.937	1.396	1.396	0.000	0.000	0.000	0.000
906	E	329	GLY	0	0.046	0.023	30.770	0.159	0.159	0.000	0.000	0.000	0.000
907	E	330	THR	0	0.028	0.017	32.100	-0.835	-0.835	0.000	0.000	0.000	0.000
908	E	331	VAL	0	0.026	0.050	34.429	-1.015	-1.015	0.000	0.000	0.000	0.000
909	E	332	VAL	0	-0.028	-0.041	35.853	0.041	0.041	0.000	0.000	0.000	0.000
910	E	333	GLY	0	0.007	0.012	36.841	-0.599	-0.599	0.000	0.000	0.000	0.000
911	E	334	LYS	1	0.776	0.871	33.050	-33.539	-33.539	0.000	0.000	0.000	0.000
912	E	335	LEU	0	-0.014	0.004	28.864	0.545	0.545	0.000	0.000	0.000	0.000
913	E	336	GLU	-1	-0.810	-0.905	28.726	39.747	39.747	0.000	0.000	0.000	0.000
914	E	337	GLY	0	0.009	-0.008	30.001	0.839	0.839	0.000	0.000	0.000	0.000
915	E	338	GLU	-1	-0.823	-0.900	31.046	34.377	34.377	0.000	0.000	0.000	0.000
916	E	339	ARG	1	0.942	0.975	32.994	-29.400	-29.400	0.000	0.000	0.000	0.000
917	E	340	GLU	-1	-0.864	-0.930	34.931	31.876	31.876	0.000	0.000	0.000	0.000
918	E	341	MET	0	-0.017	-0.001	28.796	0.969	0.969	0.000	0.000	0.000	0.000
919	E	342	THR	0	-0.055	-0.043	31.034	0.949	0.949	0.000	0.000	0.000	0.000
920	E	343	LEU	0	-0.021	-0.012	32.425	-0.008	-0.008	0.000	0.000	0.000	0.000
921	E	344	GLY	0	0.045	0.035	32.002	-0.170	-0.170	0.000	0.000	0.000	0.000
922	E	345	PHE	0	-0.033	-0.026	28.196	0.614	0.614	0.000	0.000	0.000	0.000
923	E	346	VAL	0	-0.015	-0.010	30.136	0.275	0.275	0.000	0.000	0.000	0.000
924	E	347	ASP	-1	-0.850	-0.911	33.134	32.983	32.983	0.000	0.000	0.000	0.000
925	E	348	LEU	0	-0.086	-0.052	27.120	0.508	0.508	0.000	0.000	0.000	0.000
926	E	349	LEU	0	-0.041	-0.013	28.120	0.631	0.631	0.000	0.000	0.000	0.000
927	E	350	ARG	1	0.814	0.894	31.116	-32.045	-32.045	0.000	0.000	0.000	0.000
928	E	351	ASP	-1	-0.852	-0.915	34.447	31.968	31.968	0.000	0.000	0.000	0.000
929	E	352	ASP	-1	-0.883	-0.948	33.915	34.648	34.648	0.000	0.000	0.000	0.000
930	E	353	PHE	0	-0.010	-0.004	34.109	1.086	1.086	0.000	0.000	0.000	0.000
931	E	354	ILE	0	-0.018	0.013	31.345	-0.478	-0.478	0.000	0.000	0.000	0.000
932	E	355	GLU	-1	-0.909	-0.965	32.586	33.213	33.213	0.000	0.000	0.000	0.000
933	E	356	LYS	1	0.897	0.945	29.192	-40.262	-40.262	0.000	0.000	0.000	0.000
934	E	357	ASP	-1	-0.816	-0.919	31.915	33.046	33.046	0.000	0.000	0.000	0.000
935	E	358	ARG	1	0.891	0.942	28.519	-41.419	-41.419	0.000	0.000	0.000	0.000
936	E	359	ALA	0	-0.019	0.008	32.158	0.656	0.656	0.000	0.000	0.000	0.000
937	E	360	ARG	1	0.988	0.990	33.103	-32.735	-32.735	0.000	0.000	0.000	0.000
938	E	361	GLY	0	-0.050	-0.034	29.069	0.784	0.784	0.000	0.000	0.000	0.000
939	E	362	ILE	0	-0.011	0.024	27.687	2.017	2.017	0.000	0.000	0.000	0.000
940	E	363	PHE	0	-0.039	-0.050	25.441	-0.924	-0.924	0.000	0.000	0.000	0.000
941	E	364	PHE	0	-0.065	-0.038	22.495	-0.336	-0.336	0.000	0.000	0.000	0.000
942	E	365	THR	0	0.059	0.036	28.019	-0.232	-0.232	0.000	0.000	0.000	0.000
943	E	366	GLN	0	-0.052	-0.019	26.386	2.913	2.913	0.000	0.000	0.000	0.000
944	E	367	ASP	-1	-0.828	-0.921	29.717	34.654	34.654	0.000	0.000	0.000	0.000
945	E	368	TRP	0	-0.052	-0.050	25.717	2.171	2.171	0.000	0.000	0.000	0.000
946	E	369	VAL	0	-0.025	-0.005	31.395	0.267	0.267	0.000	0.000	0.000	0.000
947	E	370	SER	0	-0.054	-0.035	34.037	-0.405	-0.405	0.000	0.000	0.000	0.000
948	E	371	MET	0	-0.067	0.002	27.420	-0.111	-0.111	0.000	0.000	0.000	0.000
949	E	372	PRO	0	0.019	0.015	32.791	-0.465	-0.465	0.000	0.000	0.000	0.000
950	E	373	GLY	0	0.070	0.042	32.849	1.126	1.126	0.000	0.000	0.000	0.000
951	E	374	VAL	0	-0.042	-0.025	29.735	-0.476	-0.476	0.000	0.000	0.000	0.000
952	E	375	ILE	0	-0.013	-0.005	33.217	-0.268	-0.268	0.000	0.000	0.000	0.000
953	E	376	PRO	0	-0.027	0.004	33.124	0.769	0.769	0.000	0.000	0.000	0.000
954	E	377	VAL	0	0.010	-0.008	33.053	-1.190	-1.190	0.000	0.000	0.000	0.000
955	E	378	ALA	0	0.027	0.030	33.462	1.010	1.010	0.000	0.000	0.000	0.000
956	E	379	SER	0	-0.014	-0.043	33.613	-1.328	-1.328	0.000	0.000	0.000	0.000
957	E	380	GLY	0	0.087	0.041	33.883	0.852	0.852	0.000	0.000	0.000	0.000
958	E	381	GLY	0	-0.019	-0.018	35.228	0.083	0.083	0.000	0.000	0.000	0.000
959	E	382	ILE	0	-0.070	-0.018	37.989	-0.460	-0.460	0.000	0.000	0.000	0.000
960	E	383	HIS	0	0.015	-0.026	40.547	-0.568	-0.568	0.000	0.000	0.000	0.000
961	E	384	VAL	0	0.079	0.031	44.230	0.061	0.061	0.000	0.000	0.000	0.000
962	E	385	TRP	0	-0.096	-0.042	47.327	-0.385	-0.385	0.000	0.000	0.000	0.000
963	E	386	HIS	0	0.023	0.020	41.858	-0.102	-0.102	0.000	0.000	0.000	0.000
964	E	387	MET	0	-0.036	0.008	44.372	0.558	0.558	0.000	0.000	0.000	0.000
965	E	388	PRO	0	0.025	0.009	45.880	0.200	0.200	0.000	0.000	0.000	0.000
966	E	389	ALA	0	0.028	0.014	43.190	0.131	0.131	0.000	0.000	0.000	0.000
967	E	390	LEU	0	0.012	0.017	39.374	0.506	0.506	0.000	0.000	0.000	0.000
968	E	391	THR	0	-0.027	-0.032	42.051	0.400	0.400	0.000	0.000	0.000	0.000
969	E	392	GLU	-1	-0.956	-0.984	44.056	27.897	27.897	0.000	0.000	0.000	0.000
970	E	393	ILE	0	-0.023	0.004	38.143	0.275	0.275	0.000	0.000	0.000	0.000
971	E	394	PHE	0	-0.024	-0.011	35.103	0.538	0.538	0.000	0.000	0.000	0.000
972	E	395	GLY	0	0.056	0.040	40.170	0.174	0.174	0.000	0.000	0.000	0.000
973	E	396	ASP	-1	-0.794	-0.924	42.668	26.251	26.251	0.000	0.000	0.000	0.000
974	E	397	ASP	-1	-0.857	-0.901	39.559	28.963	28.963	0.000	0.000	0.000	0.000
975	E	398	SER	0	0.026	0.005	38.161	0.831	0.831	0.000	0.000	0.000	0.000
976	E	399	VAL	0	0.017	0.015	37.300	-0.776	-0.776	0.000	0.000	0.000	0.000
977	E	400	LEU	0	-0.020	-0.008	37.887	0.717	0.717	0.000	0.000	0.000	0.000
978	E	401	GLN	0	0.012	-0.004	34.482	-0.784	-0.784	0.000	0.000	0.000	0.000
979	E	402	PHE	0	0.036	0.011	38.911	0.311	0.311	0.000	0.000	0.000	0.000
980	E	403	GLY	0	0.067	0.037	38.962	-0.549	-0.549	0.000	0.000	0.000	0.000
981	E	404	GLY	0	0.031	-0.007	39.470	-0.861	-0.861	0.000	0.000	0.000	0.000
982	E	405	GLY	0	-0.028	-0.018	41.385	-0.717	-0.717	0.000	0.000	0.000	0.000
983	E	406	THR	0	-0.033	-0.019	43.432	-0.808	-0.808	0.000	0.000	0.000	0.000
984	E	407	LEU	0	-0.030	-0.038	41.973	-0.674	-0.674	0.000	0.000	0.000	0.000
985	E	408	GLY	0	0.044	0.023	45.043	-0.232	-0.232	0.000	0.000	0.000	0.000
986	E	409	HIS	0	-0.055	-0.013	46.062	-0.341	-0.341	0.000	0.000	0.000	0.000
987	E	410	PRO	0	0.004	-0.011	49.348	-0.108	-0.108	0.000	0.000	0.000	0.000
988	E	411	TRP	0	-0.065	-0.062	52.302	-0.453	-0.453	0.000	0.000	0.000	0.000
989	E	412	GLY	0	0.034	0.031	50.352	-0.250	-0.250	0.000	0.000	0.000	0.000
990	E	413	ASN	0	0.060	0.021	45.825	-0.006	-0.006	0.000	0.000	0.000	0.000
991	E	414	ALA	0	0.050	0.049	48.988	0.150	0.150	0.000	0.000	0.000	0.000
992	E	415	PRO	0	0.002	-0.014	51.518	-0.026	-0.026	0.000	0.000	0.000	0.000
993	E	416	GLY	0	0.017	-0.003	48.843	-0.002	-0.002	0.000	0.000	0.000	0.000
994	E	417	ALA	0	-0.018	0.004	47.731	0.272	0.272	0.000	0.000	0.000	0.000
995	E	418	ALA	0	0.027	0.031	48.694	0.086	0.086	0.000	0.000	0.000	0.000
996	E	419	ALA	0	-0.045	-0.019	50.434	-0.125	-0.125	0.000	0.000	0.000	0.000
997	E	420	ASN	0	0.000	-0.010	45.760	0.005	0.005	0.000	0.000	0.000	0.000
998	E	421	ARG	1	0.758	0.856	48.411	-23.815	-23.815	0.000	0.000	0.000	0.000
999	E	422	VAL	0	-0.012	-0.004	49.908	-0.131	-0.131	0.000	0.000	0.000	0.000
1000	E	423	ALA	0	-0.016	-0.016	49.326	-0.163	-0.163	0.000	0.000	0.000	0.000
1001	E	424	LEU	0	0.027	0.008	45.877	-0.058	-0.058	0.000	0.000	0.000	0.000
1002	E	425	GLU	-1	-0.733	-0.878	49.175	22.893	22.893	0.000	0.000	0.000	0.000
1003	E	426	ALA	0	0.015	0.019	52.271	-0.287	-0.287	0.000	0.000	0.000	0.000
1004	E	427	CYS	0	-0.084	-0.034	49.536	-0.118	-0.118	0.000	0.000	0.000	0.000
1005	E	428	VAL	0	0.010	0.002	49.096	-0.031	-0.031	0.000	0.000	0.000	0.000
1006	E	429	GLN	0	0.039	0.019	51.526	-0.013	-0.013	0.000	0.000	0.000	0.000
1007	E	430	ALA	0	0.003	-0.006	54.034	-0.247	-0.247	0.000	0.000	0.000	0.000
1008	E	431	ARG	1	0.854	0.914	47.375	-25.237	-25.237	0.000	0.000	0.000	0.000
1009	E	432	ASN	0	-0.035	-0.021	52.468	0.335	0.335	0.000	0.000	0.000	0.000
1010	E	433	GLU	-1	-0.966	-0.996	54.677	20.388	20.388	0.000	0.000	0.000	0.000
1011	E	434	GLY	0	-0.060	-0.019	55.737	-0.353	-0.353	0.000	0.000	0.000	0.000
1012	E	435	ARG	1	0.790	0.879	55.327	-21.429	-21.429	0.000	0.000	0.000	0.000
1013	E	436	ASP	-1	-0.821	-0.915	51.328	24.529	24.529	0.000	0.000	0.000	0.000
1014	E	437	LEU	0	-0.011	-0.026	48.224	-0.103	-0.103	0.000	0.000	0.000	0.000
1015	E	438	ALA	0	-0.001	0.004	47.626	0.081	0.081	0.000	0.000	0.000	0.000
1016	E	439	ARG	1	0.870	0.939	48.996	-22.962	-22.962	0.000	0.000	0.000	0.000
1017	E	440	GLU	-1	-0.764	-0.849	52.377	21.507	21.507	0.000	0.000	0.000	0.000
1018	E	441	GLY	0	0.043	0.022	50.735	-0.236	-0.236	0.000	0.000	0.000	0.000
1019	E	442	ASN	0	0.006	-0.017	51.011	0.075	0.075	0.000	0.000	0.000	0.000
1020	E	443	GLU	-1	-0.946	-0.984	53.159	21.064	21.064	0.000	0.000	0.000	0.000
1021	E	444	ILE	0	-0.002	0.014	53.282	-0.387	-0.387	0.000	0.000	0.000	0.000
1022	E	445	ILE	0	0.031	0.016	50.397	-0.248	-0.248	0.000	0.000	0.000	0.000
1023	E	446	ARG	1	0.950	0.960	54.140	-22.157	-22.157	0.000	0.000	0.000	0.000
1024	E	447	SER	0	-0.041	-0.030	57.283	-0.515	-0.515	0.000	0.000	0.000	0.000
1025	E	448	ALA	0	0.030	0.033	55.661	-0.321	-0.321	0.000	0.000	0.000	0.000
1026	E	449	CYS	0	-0.034	-0.014	55.940	-0.047	-0.047	0.000	0.000	0.000	0.000
1027	E	450	LYS	1	0.880	0.943	58.326	-19.700	-19.700	0.000	0.000	0.000	0.000
1028	E	451	TRP	0	0.035	0.016	57.033	-0.353	-0.353	0.000	0.000	0.000	0.000
1029	E	452	SER	0	0.007	0.038	56.627	0.092	0.092	0.000	0.000	0.000	0.000
1030	E	453	PRO	0	0.022	-0.010	57.966	0.207	0.207	0.000	0.000	0.000	0.000
1031	E	454	GLU	-1	-0.856	-0.935	54.238	21.217	21.217	0.000	0.000	0.000	0.000
1032	E	455	LEU	0	0.054	0.023	51.852	0.442	0.442	0.000	0.000	0.000	0.000
1033	E	456	ALA	0	0.015	0.001	53.884	0.248	0.248	0.000	0.000	0.000	0.000
1034	E	457	ALA	0	-0.029	-0.018	54.874	0.115	0.115	0.000	0.000	0.000	0.000
1035	E	458	ALA	0	0.004	0.000	49.814	0.259	0.259	0.000	0.000	0.000	0.000
1036	E	459	CYS	0	-0.062	-0.032	50.723	0.400	0.400	0.000	0.000	0.000	0.000
1037	E	460	GLU	-1	-0.828	-0.900	52.207	21.716	21.716	0.000	0.000	0.000	0.000
1038	E	461	ILE	0	-0.051	-0.017	48.563	0.048	0.048	0.000	0.000	0.000	0.000
1039	E	462	TRP	0	-0.005	-0.018	45.535	0.222	0.222	0.000	0.000	0.000	0.000
1040	E	463	LYS	1	0.832	0.929	47.923	-21.591	-21.591	0.000	0.000	0.000	0.000
1041	E	464	ALA	0	-0.056	-0.040	49.013	0.051	0.051	0.000	0.000	0.000	0.000
1042	E	465	ILE	0	-0.021	0.007	42.846	0.291	0.291	0.000	0.000	0.000	0.000
1043	E	466	LYS	1	0.980	0.986	42.891	-25.578	-25.578	0.000	0.000	0.000	0.000
1044	E	467	PHE	0	0.005	0.010	37.441	0.154	0.154	0.000	0.000	0.000	0.000
1045	E	468	GLU	-1	-0.975	-0.988	38.849	28.145	28.145	0.000	0.000	0.000	0.000
1046	E	469	PHE	0	0.035	0.004	34.598	-0.110	-0.110	0.000	0.000	0.000	0.000
1047	E	470	GLU	-1	-0.966	-0.978	34.156	33.371	33.371	0.000	0.000	0.000	0.000
1048	E	471	PRO	0	-0.064	-0.023	31.060	0.594	0.594	0.000	0.000	0.000	0.000
1049	E	472	VAL	0	-0.015	-0.024	25.421	-0.371	-0.371	0.000	0.000	0.000	0.000
1050	E	473	ASP	-1	-0.820	-0.903	25.856	46.580	46.580	0.000	0.000	0.000	0.000
1051	E	474	LYS	1	0.930	0.965	27.695	-37.190	-37.190	0.000	0.000	0.000	0.000
1052	E	475	LEU	0	0.009	0.019	29.092	1.370	1.370	0.000	0.000	0.000	0.000
1053	W	1	MME	1	0.814	0.905	56.447	-20.267	-20.267	0.000	0.000	0.000	0.000
1054	W	2	GLN	0	0.064	0.039	58.685	-0.486	-0.486	0.000	0.000	0.000	0.000
1055	W	3	VAL	0	0.022	0.019	57.853	0.389	0.389	0.000	0.000	0.000	0.000
1056	W	4	TRP	0	0.022	0.016	55.245	-0.302	-0.302	0.000	0.000	0.000	0.000
1057	W	5	PRO	0	0.066	0.023	57.531	0.006	0.006	0.000	0.000	0.000	0.000
1058	W	6	ILE	0	0.034	0.017	57.497	0.318	0.318	0.000	0.000	0.000	0.000
1059	W	7	GLU	-1	-0.928	-0.977	59.308	19.092	19.092	0.000	0.000	0.000	0.000
1060	W	8	GLY	0	-0.046	-0.016	61.982	-0.077	-0.077	0.000	0.000	0.000	0.000
1061	W	9	ILE	0	-0.048	-0.010	58.045	-0.141	-0.141	0.000	0.000	0.000	0.000
1062	W	10	LYS	1	0.904	0.968	58.078	-20.434	-20.434	0.000	0.000	0.000	0.000
1063	W	11	LYS	1	0.782	0.894	54.890	-21.492	-21.492	0.000	0.000	0.000	0.000
1064	W	12	PHE	0	-0.027	-0.042	56.219	-0.157	-0.157	0.000	0.000	0.000	0.000
1065	W	13	GLU	-1	-0.737	-0.843	50.015	24.597	24.597	0.000	0.000	0.000	0.000
1066	W	14	THR	0	-0.044	-0.044	50.734	-0.198	-0.198	0.000	0.000	0.000	0.000
1067	W	15	LEU	0	0.024	0.021	52.922	-0.367	-0.367	0.000	0.000	0.000	0.000
1068	W	16	SER	0	-0.078	-0.029	55.046	-0.481	-0.481	0.000	0.000	0.000	0.000
1069	W	17	TYR	0	-0.014	-0.029	53.137	-0.329	-0.329	0.000	0.000	0.000	0.000
1070	W	18	LEU	0	-0.019	0.005	55.586	-0.066	-0.066	0.000	0.000	0.000	0.000
1071	W	19	PRO	0	-0.034	-0.019	58.479	-0.215	-0.215	0.000	0.000	0.000	0.000
1072	W	20	PRO	0	-0.046	-0.029	62.035	0.111	0.111	0.000	0.000	0.000	0.000
1073	W	21	LEU	0	0.028	0.024	59.709	-0.100	-0.100	0.000	0.000	0.000	0.000
1074	W	22	THR	0	-0.015	-0.005	63.892	-0.337	-0.337	0.000	0.000	0.000	0.000
1075	W	23	VAL	0	0.030	-0.005	65.985	0.206	0.206	0.000	0.000	0.000	0.000
1076	W	24	GLU	-1	-0.885	-0.940	66.071	18.859	18.859	0.000	0.000	0.000	0.000
1077	W	25	ASP	-1	-0.778	-0.883	62.285	19.777	19.777	0.000	0.000	0.000	0.000
1078	W	26	LEU	0	-0.055	-0.037	62.048	0.363	0.363	0.000	0.000	0.000	0.000
1079	W	27	LEU	0	0.002	-0.007	62.517	0.232	0.232	0.000	0.000	0.000	0.000
1080	W	28	LYS	1	0.951	0.987	61.040	-19.288	-19.288	0.000	0.000	0.000	0.000
1081	W	29	GLN	0	0.018	0.022	56.503	0.741	0.741	0.000	0.000	0.000	0.000
1082	W	30	ILE	0	-0.018	-0.009	58.220	0.329	0.329	0.000	0.000	0.000	0.000
1083	W	31	GLU	-1	-0.933	-0.981	59.837	19.736	19.736	0.000	0.000	0.000	0.000
1084	W	32	TYR	0	-0.029	0.000	50.662	0.227	0.227	0.000	0.000	0.000	0.000
1085	W	33	LEU	0	-0.023	0.002	55.303	0.358	0.358	0.000	0.000	0.000	0.000
1086	W	34	LEU	0	0.020	0.001	55.974	0.200	0.200	0.000	0.000	0.000	0.000
1087	W	35	ARG	1	0.864	0.938	56.649	-21.411	-21.411	0.000	0.000	0.000	0.000
1088	W	36	SER	0	-0.049	-0.023	52.126	0.302	0.302	0.000	0.000	0.000	0.000
1089	W	37	LYS	1	0.867	0.941	52.691	-21.452	-21.452	0.000	0.000	0.000	0.000
1090	W	38	TRP	0	0.032	0.028	49.447	0.083	0.083	0.000	0.000	0.000	0.000
1091	W	39	VAL	0	-0.016	-0.013	54.392	-0.501	-0.501	0.000	0.000	0.000	0.000
1092	W	40	PRO	0	0.008	0.016	56.364	0.229	0.229	0.000	0.000	0.000	0.000
1093	W	41	CYS	0	-0.008	-0.004	58.056	-0.218	-0.218	0.000	0.000	0.000	0.000
1094	W	42	LEU	0	0.020	0.037	59.611	0.123	0.123	0.000	0.000	0.000	0.000
1095	W	43	GLU	-1	-0.840	-0.907	56.729	21.987	21.987	0.000	0.000	0.000	0.000
1096	W	44	PHE	0	-0.039	-0.028	61.179	-0.135	-0.135	0.000	0.000	0.000	0.000
1097	W	45	SER	0	0.048	0.009	61.465	0.049	0.049	0.000	0.000	0.000	0.000
1098	W	46	LYS	1	0.907	0.948	63.570	-17.833	-17.833	0.000	0.000	0.000	0.000
1099	W	47	VAL	0	-0.019	0.010	60.244	-0.147	-0.147	0.000	0.000	0.000	0.000
1100	W	48	GLY	0	-0.004	-0.010	60.754	0.190	0.190	0.000	0.000	0.000	0.000
1101	W	49	PHE	0	-0.025	-0.008	56.616	0.144	0.144	0.000	0.000	0.000	0.000
1102	W	50	VAL	0	0.026	0.032	51.447	-0.159	-0.159	0.000	0.000	0.000	0.000
1103	W	51	TYR	0	-0.029	-0.015	54.590	-0.181	-0.181	0.000	0.000	0.000	0.000
1104	W	52	ARG	1	0.765	0.877	46.034	-25.222	-25.222	0.000	0.000	0.000	0.000
1105	W	53	GLU	-1	-0.970	-0.979	53.690	20.602	20.602	0.000	0.000	0.000	0.000
1106	W	54	ASN	0	-0.031	-0.022	54.366	-0.203	-0.203	0.000	0.000	0.000	0.000
1107	W	55	HIS	0	0.026	0.034	47.038	0.543	0.543	0.000	0.000	0.000	0.000
1108	W	56	ARG	1	0.925	0.957	48.652	-23.444	-23.444	0.000	0.000	0.000	0.000
1109	W	57	SER	0	-0.007	-0.006	44.397	0.490	0.490	0.000	0.000	0.000	0.000
1110	W	58	PRO	0	0.039	0.014	40.436	-0.496	-0.496	0.000	0.000	0.000	0.000
1111	W	59	GLY	0	0.018	0.024	42.886	0.131	0.131	0.000	0.000	0.000	0.000
1112	W	60	TYR	0	-0.091	-0.049	44.209	-0.220	-0.220	0.000	0.000	0.000	0.000
1113	W	61	TYR	0	0.021	-0.020	45.815	0.030	0.030	0.000	0.000	0.000	0.000
1114	W	62	ASP	-1	-0.732	-0.834	50.632	22.703	22.703	0.000	0.000	0.000	0.000
1115	W	63	GLY	0	0.057	0.004	54.220	0.072	0.072	0.000	0.000	0.000	0.000
1116	W	64	ARG	1	0.823	0.926	46.792	-25.355	-25.355	0.000	0.000	0.000	0.000
1117	W	65	TYR	0	0.026	0.006	51.051	-0.012	-0.012	0.000	0.000	0.000	0.000
1118	W	66	TRP	0	-0.041	-0.013	55.639	-0.365	-0.365	0.000	0.000	0.000	0.000
1119	W	67	THR	0	-0.008	-0.005	58.916	0.148	0.148	0.000	0.000	0.000	0.000
1120	W	68	MET	0	0.030	0.024	57.921	-0.092	-0.092	0.000	0.000	0.000	0.000
1121	W	69	TRP	0	-0.039	-0.031	61.575	-0.394	-0.394	0.000	0.000	0.000	0.000
1122	W	70	LYS	1	0.823	0.911	64.075	-17.829	-17.829	0.000	0.000	0.000	0.000
1123	W	71	LEU	0	0.045	0.014	61.304	0.195	0.195	0.000	0.000	0.000	0.000
1124	W	72	PRO	0	-0.006	-0.016	57.784	-0.152	-0.152	0.000	0.000	0.000	0.000
1125	W	73	MET	0	-0.031	-0.007	60.275	-0.188	-0.188	0.000	0.000	0.000	0.000
1126	W	74	PHE	0	0.033	-0.002	56.167	0.141	0.141	0.000	0.000	0.000	0.000
1127	W	75	GLY	0	0.008	0.004	60.116	-0.302	-0.302	0.000	0.000	0.000	0.000
1128	W	76	CYS	0	-0.064	0.002	62.007	-0.356	-0.356	0.000	0.000	0.000	0.000
1129	W	77	THR	0	0.022	-0.001	61.923	0.268	0.268	0.000	0.000	0.000	0.000
1130	W	78	ASP	-1	-0.848	-0.905	63.921	18.215	18.215	0.000	0.000	0.000	0.000
1131	W	79	ALA	0	0.081	0.031	63.908	-0.002	-0.002	0.000	0.000	0.000	0.000
1132	W	80	THR	0	-0.049	-0.064	65.343	-0.102	-0.102	0.000	0.000	0.000	0.000
1133	W	81	GLN	0	0.053	0.024	66.699	0.004	0.004	0.000	0.000	0.000	0.000
1134	W	82	VAL	0	0.004	-0.006	62.680	-0.066	-0.066	0.000	0.000	0.000	0.000
1135	W	83	LEU	0	0.017	0.005	65.904	-0.062	-0.062	0.000	0.000	0.000	0.000
1136	W	84	LYS	1	0.826	0.927	68.142	-17.144	-17.144	0.000	0.000	0.000	0.000
1137	W	85	GLU	-1	-0.772	-0.902	66.970	17.903	17.903	0.000	0.000	0.000	0.000
1138	W	86	LEU	0	0.012	0.013	65.636	-0.020	-0.020	0.000	0.000	0.000	0.000
1139	W	87	GLU	-1	-0.913	-0.961	68.017	17.233	17.233	0.000	0.000	0.000	0.000
1140	W	88	GLU	-1	-0.902	-0.952	71.175	16.546	16.546	0.000	0.000	0.000	0.000
1141	W	89	ALA	0	0.010	0.009	67.836	-0.137	-0.137	0.000	0.000	0.000	0.000
1142	W	90	LYS	1	0.844	0.916	69.394	-17.826	-17.826	0.000	0.000	0.000	0.000
1143	W	91	LYS	1	0.907	0.949	71.296	-16.683	-16.683	0.000	0.000	0.000	0.000
1144	W	92	ALA	0	-0.043	-0.004	71.880	-0.190	-0.190	0.000	0.000	0.000	0.000
1145	W	93	TYR	0	-0.036	-0.019	69.706	-0.093	-0.093	0.000	0.000	0.000	0.000
1146	W	94	PRO	0	0.043	0.039	70.548	0.251	0.251	0.000	0.000	0.000	0.000
1147	W	95	ASP	-1	-0.826	-0.902	71.237	17.535	17.535	0.000	0.000	0.000	0.000
1148	W	96	ALA	0	-0.035	-0.018	66.563	0.205	0.205	0.000	0.000	0.000	0.000
1149	W	97	PHE	0	-0.012	-0.009	62.770	-0.086	-0.086	0.000	0.000	0.000	0.000
1150	W	98	VAL	0	0.008	-0.006	63.602	0.034	0.034	0.000	0.000	0.000	0.000
1151	W	99	ARG	1	0.817	0.918	55.683	-21.985	-21.985	0.000	0.000	0.000	0.000
1152	W	100	ILE	0	-0.002	0.005	58.847	-0.196	-0.196	0.000	0.000	0.000	0.000
1153	W	101	ILE	0	0.001	0.005	54.592	0.289	0.289	0.000	0.000	0.000	0.000
1154	W	102	GLY	0	0.061	0.005	54.250	-0.423	-0.423	0.000	0.000	0.000	0.000
1155	W	103	PHE	0	-0.069	-0.023	51.103	0.456	0.456	0.000	0.000	0.000	0.000
1156	W	104	ASP	-1	-0.758	-0.880	47.149	25.514	25.514	0.000	0.000	0.000	0.000
1157	W	105	ASN	0	-0.022	-0.035	48.637	0.333	0.333	0.000	0.000	0.000	0.000
1158	W	106	VAL	0	-0.021	-0.001	45.996	0.217	0.217	0.000	0.000	0.000	0.000
1159	W	107	ARG	1	0.860	0.932	41.321	-27.982	-27.982	0.000	0.000	0.000	0.000
1160	W	108	GLN	0	-0.049	-0.017	44.055	-0.028	-0.028	0.000	0.000	0.000	0.000
1161	W	109	VAL	0	0.030	0.013	44.677	0.351	0.351	0.000	0.000	0.000	0.000
1162	W	110	GLN	0	0.008	-0.004	47.022	-0.421	-0.421	0.000	0.000	0.000	0.000
1163	W	111	LEU	0	-0.021	-0.015	46.268	0.496	0.496	0.000	0.000	0.000	0.000
1164	W	112	ILE	0	-0.001	-0.005	49.539	0.014	0.014	0.000	0.000	0.000	0.000
1165	W	113	SER	0	-0.004	-0.018	52.450	-0.294	-0.294	0.000	0.000	0.000	0.000
1166	W	114	PHE	0	0.044	0.039	54.483	0.142	0.142	0.000	0.000	0.000	0.000
1167	W	115	ILE	0	-0.043	-0.024	57.195	-0.279	-0.279	0.000	0.000	0.000	0.000
1168	W	116	ALA	0	0.027	-0.001	60.225	-0.061	-0.061	0.000	0.000	0.000	0.000
1169	W	117	TYR	0	-0.081	-0.071	63.434	-0.421	-0.421	0.000	0.000	0.000	0.000
1170	W	118	LYS	1	0.942	0.978	61.537	-19.580	-19.580	0.000	0.000	0.000	0.000
1171	W	119	PRO	0	0.041	0.035	66.268	-0.232	-0.232	0.000	0.000	0.000	0.000
1172	W	120	PRO	0	-0.026	-0.035	69.199	0.046	0.046	0.000	0.000	0.000	0.000
1173	W	121	GLY	0	0.025	0.045	70.989	-0.104	-0.104	0.000	0.000	0.000	0.000
1174	W	122	CYS	0	-0.058	-0.026	64.728	0.197	0.197	0.000	0.000	0.000	0.000
1176	E	2001	CAP	-4	-3.237	-3.589	28.553	140.533	140.533	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1175(A:1001:CAP)