FMO DATABASE

FMODB ID: 43JYN

Calculation Name: 1UZD-ABCI-Xray434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 1UZD

Chain ID: ABCI

ChEMBL ID:

UniProt ID: P00877

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	1201
LigandResidueName	CAP
LigandFragmentNumber	1200
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-43337457.038374
FMO2-HF: Nuclear repulsion	42853158.961908
FMO2-HF: Total energy	-484298.076466
FMO2-MP2: Total energy	-485681.755519

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.
-918.055	-944.536	204.578	-94.367	-83.727	-0.679

Interactive mode: IFIE and PIEDA for fragment #1200(A:1477:CAP)

Summations of interaction energy for fragment #1200(A:1477: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.
-918.055	-944.536	204.578	-94.367	-83.727	0.679

Interaction energy analysis for fragmet #1200(A:1477:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.170 / q_NPA : -3.607

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].
163	A	173	THR	0	0.096	0.033	2.066	-18.183	-14.877	4.307	-3.610	-4.002	-0.017
164	A	174	ILE	0	-0.017	-0.015	4.218	6.089	6.255	-0.001	-0.034	-0.131	0.000
165	A	175	LYS	1	0.870	0.943	2.232	-223.545	-219.767	5.648	-3.901	-5.525	0.056
167	A	177	LYS	1	0.764	0.897	4.471	-161.983	-161.672	-0.001	-0.086	-0.224	0.000
191	A	201	KCX	-1	-0.518	-0.801	1.550	181.079	165.814	35.923	-12.785	-7.873	-0.100
193	A	203	ASP	0	0.217	0.077	4.433	6.205	6.347	-0.001	-0.033	-0.108	0.000
194	A	204	GLU	0	0.155	-0.035	4.032	-16.922	-16.582	-0.001	-0.080	-0.259	0.000
285	A	294	HIS	0	0.079	0.023	2.050	-5.054	-4.632	6.172	-2.419	-4.175	0.014
286	A	295	ARG	1	0.784	0.865	1.728	-273.714	-274.499	23.433	-13.322	-9.326	0.179
287	A	296	ALA	0	0.029	0.007	5.032	0.386	0.478	-0.001	-0.010	-0.081	0.000
289	A	298	HIS	1	0.834	0.896	3.358	-172.866	-171.074	0.050	-0.913	-0.929	0.008
318	A	327	HIS	0	0.087	0.101	1.902	-54.428	-50.739	9.716	-6.785	-6.620	0.084
319	A	328	SER	0	0.031	0.002	4.875	-7.111	-6.978	-0.001	-0.017	-0.116	0.000
320	A	329	GLY	0	0.014	0.013	3.803	-11.583	-10.754	0.018	-0.412	-0.435	0.003
321	A	330	THR	0	0.020	-0.001	4.783	-18.841	-18.659	-0.001	-0.018	-0.163	0.000
325	A	334	LYS	1	0.795	0.866	1.526	-284.214	-305.480	38.815	-11.656	-5.894	0.094
326	A	335	LEU	0	-0.021	-0.009	2.343	-21.104	-18.270	3.707	-2.725	-3.815	0.031
327	A	336	GLU	-1	-0.790	-0.893	5.508	82.593	82.644	-0.001	-0.001	-0.048	0.000
369	A	378	ALA	0	0.033	0.031	4.865	18.901	19.081	-0.001	-0.005	-0.173	0.000
370	A	379	SER	0	0.018	-0.027	2.176	-27.364	-20.814	3.245	-4.463	-5.333	0.018
371	A	380	GLY	0	0.049	0.032	2.057	8.998	12.847	5.507	-4.864	-4.491	0.026
372	A	381	GLY	0	-0.011	-0.012	1.878	-44.527	-49.018	9.430	-1.165	-3.774	0.047
373	A	382	ILE	0	-0.054	-0.008	3.708	-31.126	-30.352	0.042	-0.281	-0.535	0.004
374	A	383	HIS	0	0.020	-0.020	5.526	6.143	6.255	-0.001	-0.003	-0.108	0.000
392	A	401	GLN	0	0.022	-0.004	3.896	-22.718	-22.478	-0.001	-0.036	-0.203	0.000
393	A	402	PHE	0	0.024	0.000	3.602	17.687	18.587	0.021	-0.315	-0.607	0.001
394	A	403	GLY	0	0.050	0.029	1.959	-39.129	-38.780	8.085	-4.894	-3.539	0.064
395	A	404	GLY	0	0.043	-0.001	1.655	-54.688	-65.829	20.475	-5.379	-3.955	0.063
396	A	405	GLY	0	-0.027	-0.012	3.548	-31.055	-30.341	0.045	-0.223	-0.537	0.007
517	B	60	GLU	-1	-0.765	-0.899	5.393	182.219	182.258	-0.001	-0.015	-0.022	0.000
522	B	65	THR	0	-0.035	-0.053	1.609	-9.938	-20.855	25.138	-10.079	-4.142	0.075
523	B	66	TRP	0	0.030	0.014	2.387	-51.990	-49.394	3.345	-2.437	-3.505	0.030
524	B	67	THR	0	-0.013	-0.001	5.097	-22.559	-22.451	-0.001	-0.001	-0.105	0.000
580	B	123	ASN	0	0.076	0.010	2.706	6.107	8.904	1.470	-1.397	-2.870	-0.008
581	B	124	VAL	0	0.032	0.021	5.196	3.025	3.134	-0.001	-0.003	-0.104	0.000
1	A	11	ALA	0	-0.011	-0.016	51.089	-0.130	-0.130	0.000	0.000	0.000	0.000
2	A	12	GLY	0	0.016	0.013	52.397	0.085	0.085	0.000	0.000	0.000	0.000
3	A	13	PHE	0	-0.014	-0.002	47.516	0.363	0.363	0.000	0.000	0.000	0.000
4	A	14	LYS	1	0.941	0.965	49.826	-23.454	-23.454	0.000	0.000	0.000	0.000
5	A	15	ALA	0	0.031	0.020	48.585	0.435	0.435	0.000	0.000	0.000	0.000
6	A	16	GLY	0	0.044	0.021	47.370	-0.379	-0.379	0.000	0.000	0.000	0.000
7	A	17	VAL	0	-0.006	-0.001	42.235	0.296	0.296	0.000	0.000	0.000	0.000
8	A	18	LYS	1	0.897	0.951	43.305	-26.895	-26.895	0.000	0.000	0.000	0.000
9	A	19	ASP	-1	-0.881	-0.929	41.188	28.149	28.149	0.000	0.000	0.000	0.000
10	A	20	TYR	0	-0.031	-0.032	35.702	-0.324	-0.324	0.000	0.000	0.000	0.000
11	A	21	ARG	1	0.954	0.957	38.599	-28.837	-28.837	0.000	0.000	0.000	0.000
12	A	22	LEU	0	-0.055	-0.019	39.480	-0.302	-0.302	0.000	0.000	0.000	0.000
13	A	23	THR	0	-0.068	-0.030	39.956	-0.663	-0.663	0.000	0.000	0.000	0.000
14	A	24	TYR	0	0.021	0.004	35.331	-0.184	-0.184	0.000	0.000	0.000	0.000
15	A	25	TYR	0	0.010	0.025	35.666	0.566	0.566	0.000	0.000	0.000	0.000
16	A	26	THR	0	-0.063	-0.056	36.906	-0.821	-0.821	0.000	0.000	0.000	0.000
17	A	27	PRO	0	0.026	0.018	37.335	0.577	0.577	0.000	0.000	0.000	0.000
18	A	28	ASP	-1	-0.881	-0.920	38.413	27.765	27.765	0.000	0.000	0.000	0.000
19	A	29	TYR	0	-0.169	-0.104	34.327	-0.796	-0.796	0.000	0.000	0.000	0.000
20	A	30	VAL	0	0.010	0.014	37.334	0.501	0.501	0.000	0.000	0.000	0.000
21	A	31	VAL	0	-0.017	-0.013	31.810	-0.152	-0.152	0.000	0.000	0.000	0.000
22	A	32	ARG	1	0.940	0.972	34.295	-30.790	-30.790	0.000	0.000	0.000	0.000
23	A	33	ASP	-1	-0.862	-0.941	32.433	34.820	34.820	0.000	0.000	0.000	0.000
24	A	34	THR	0	-0.049	-0.041	31.220	0.647	0.647	0.000	0.000	0.000	0.000
25	A	35	ASP	-1	-0.818	-0.883	30.558	34.672	34.672	0.000	0.000	0.000	0.000
26	A	36	ILE	0	0.003	0.011	24.411	0.873	0.873	0.000	0.000	0.000	0.000
27	A	37	LEU	0	-0.039	-0.006	25.791	-1.224	-1.224	0.000	0.000	0.000	0.000
28	A	38	ALA	0	0.019	0.019	23.427	2.068	2.068	0.000	0.000	0.000	0.000
29	A	39	ALA	0	0.021	0.021	22.518	-1.787	-1.787	0.000	0.000	0.000	0.000
30	A	40	PHE	0	0.003	-0.011	22.019	2.750	2.750	0.000	0.000	0.000	0.000
31	A	41	ARG	1	0.856	0.929	19.792	-53.690	-53.690	0.000	0.000	0.000	0.000
32	A	42	MET	0	-0.008	0.002	23.466	0.952	0.952	0.000	0.000	0.000	0.000
33	A	43	THR	0	0.004	0.001	25.250	-0.494	-0.494	0.000	0.000	0.000	0.000
34	A	44	PRO	0	0.040	0.015	27.712	0.358	0.358	0.000	0.000	0.000	0.000
35	A	45	GLN	0	-0.003	0.015	31.186	0.036	0.036	0.000	0.000	0.000	0.000
36	A	46	PRO	0	0.019	-0.001	33.148	-0.472	-0.472	0.000	0.000	0.000	0.000
37	A	47	GLY	0	-0.005	-0.003	36.091	-0.399	-0.399	0.000	0.000	0.000	0.000
38	A	48	VAL	0	-0.039	-0.001	34.573	-0.717	-0.717	0.000	0.000	0.000	0.000
39	A	49	PRO	0	-0.008	0.000	35.881	0.573	0.573	0.000	0.000	0.000	0.000
40	A	50	PRO	0	0.084	0.032	33.341	0.486	0.486	0.000	0.000	0.000	0.000
41	A	51	GLU	-1	-0.886	-0.959	33.821	31.509	31.509	0.000	0.000	0.000	0.000
42	A	52	GLU	-1	-0.765	-0.890	35.810	30.425	30.425	0.000	0.000	0.000	0.000
43	A	53	CYS	0	-0.007	-0.003	30.484	0.498	0.498	0.000	0.000	0.000	0.000
44	A	54	GLY	0	0.057	0.024	30.760	0.866	0.866	0.000	0.000	0.000	0.000
45	A	55	ALA	0	-0.040	-0.012	31.749	0.402	0.402	0.000	0.000	0.000	0.000
46	A	56	ALA	0	0.013	0.007	32.632	0.027	0.027	0.000	0.000	0.000	0.000
47	A	57	VAL	0	-0.007	-0.004	26.924	0.391	0.391	0.000	0.000	0.000	0.000
48	A	58	ALA	0	0.013	0.012	29.417	0.483	0.483	0.000	0.000	0.000	0.000
49	A	59	ALA	0	-0.031	-0.007	31.138	-0.117	-0.117	0.000	0.000	0.000	0.000
50	A	60	GLU	-1	-0.765	-0.903	30.926	33.879	33.879	0.000	0.000	0.000	0.000
51	A	61	SER	0	0.009	0.031	27.036	0.713	0.713	0.000	0.000	0.000	0.000
52	A	62	SER	0	-0.061	-0.051	28.853	0.021	0.021	0.000	0.000	0.000	0.000
53	A	63	THR	0	-0.018	-0.021	31.573	-0.329	-0.329	0.000	0.000	0.000	0.000
54	A	64	GLY	0	-0.014	0.007	34.723	-0.890	-0.890	0.000	0.000	0.000	0.000
55	A	65	THR	0	-0.038	-0.069	34.997	0.956	0.956	0.000	0.000	0.000	0.000
56	A	66	TRP	0	0.006	0.003	37.004	-0.651	-0.651	0.000	0.000	0.000	0.000
57	A	67	THR	0	-0.002	0.003	38.627	-0.769	-0.769	0.000	0.000	0.000	0.000
58	A	68	THR	0	-0.055	-0.018	41.780	0.437	0.437	0.000	0.000	0.000	0.000
59	A	69	VAL	0	0.025	0.005	41.460	-0.376	-0.376	0.000	0.000	0.000	0.000
60	A	70	TRP	0	-0.025	-0.025	44.382	-0.129	-0.129	0.000	0.000	0.000	0.000
61	A	71	THR	0	-0.066	-0.097	42.624	-0.334	-0.334	0.000	0.000	0.000	0.000
62	A	72	ASP	-1	-0.846	-0.922	41.790	28.031	28.031	0.000	0.000	0.000	0.000
63	A	73	GLY	0	-0.031	-0.011	43.980	0.023	0.023	0.000	0.000	0.000	0.000
64	A	74	LEU	0	-0.109	-0.046	45.866	-0.449	-0.449	0.000	0.000	0.000	0.000
65	A	75	THR	0	-0.059	-0.046	41.232	0.015	0.015	0.000	0.000	0.000	0.000
66	A	76	SER	0	-0.018	-0.005	42.816	-0.221	-0.221	0.000	0.000	0.000	0.000
67	A	77	LEU	0	0.089	0.020	39.358	0.592	0.592	0.000	0.000	0.000	0.000
68	A	78	ASP	-1	-0.939	-0.957	39.486	27.700	27.700	0.000	0.000	0.000	0.000
69	A	79	ARG	1	0.869	0.948	39.021	-28.224	-28.224	0.000	0.000	0.000	0.000
70	A	80	TYR	0	-0.014	-0.018	36.172	0.570	0.570	0.000	0.000	0.000	0.000
71	A	81	LYS	1	0.860	0.942	34.925	-28.234	-28.234	0.000	0.000	0.000	0.000
72	A	82	GLY	0	0.055	0.027	32.023	0.258	0.258	0.000	0.000	0.000	0.000
73	A	83	ARG	1	0.853	0.930	32.560	-31.305	-31.305	0.000	0.000	0.000	0.000
74	A	84	CYS	0	-0.012	0.011	31.576	0.866	0.866	0.000	0.000	0.000	0.000
75	A	85	TYR	0	0.004	-0.020	29.593	-0.636	-0.636	0.000	0.000	0.000	0.000
76	A	86	ASP	-1	-0.868	-0.938	31.838	34.015	34.015	0.000	0.000	0.000	0.000
77	A	87	ILE	0	-0.063	-0.030	31.449	1.140	1.140	0.000	0.000	0.000	0.000
78	A	88	GLU	-1	-0.834	-0.898	28.338	39.084	39.084	0.000	0.000	0.000	0.000
79	A	89	PRO	0	0.013	-0.006	30.066	0.954	0.954	0.000	0.000	0.000	0.000
80	A	90	VAL	0	-0.015	-0.006	25.026	0.596	0.596	0.000	0.000	0.000	0.000
81	A	91	PRO	0	-0.031	-0.029	26.870	-0.764	-0.764	0.000	0.000	0.000	0.000
82	A	92	GLY	0	-0.020	-0.006	27.523	1.241	1.241	0.000	0.000	0.000	0.000
83	A	93	GLU	-1	-0.890	-0.948	24.778	45.565	45.565	0.000	0.000	0.000	0.000
84	A	94	ASP	-1	-0.937	-0.959	29.062	34.844	34.844	0.000	0.000	0.000	0.000
85	A	95	ASN	0	-0.089	-0.058	30.114	-1.508	-1.508	0.000	0.000	0.000	0.000
86	A	96	GLN	0	0.063	0.023	23.011	1.338	1.338	0.000	0.000	0.000	0.000
87	A	97	TYR	0	0.002	0.003	27.692	-1.080	-1.080	0.000	0.000	0.000	0.000
88	A	98	ILE	0	-0.021	-0.001	23.812	1.947	1.947	0.000	0.000	0.000	0.000
89	A	99	ALA	0	0.002	0.002	26.980	-1.610	-1.610	0.000	0.000	0.000	0.000
90	A	100	TYR	0	-0.028	-0.017	26.384	2.397	2.397	0.000	0.000	0.000	0.000
91	A	101	VAL	0	-0.010	-0.012	27.645	-1.637	-1.637	0.000	0.000	0.000	0.000
92	A	102	ALA	0	-0.020	-0.007	28.128	1.231	1.231	0.000	0.000	0.000	0.000
93	A	103	TYR	0	-0.032	-0.045	26.127	-0.670	-0.670	0.000	0.000	0.000	0.000
94	A	104	HYP	0	0.015	0.009	30.344	0.218	0.218	0.000	0.000	0.000	0.000
95	A	105	ILE	0	0.045	0.016	29.812	0.466	0.466	0.000	0.000	0.000	0.000
96	A	106	ASP	-1	-0.907	-0.965	31.142	32.010	32.010	0.000	0.000	0.000	0.000
97	A	107	LEU	0	-0.093	-0.043	30.203	-0.325	-0.325	0.000	0.000	0.000	0.000
98	A	108	PHE	0	-0.018	-0.003	25.489	0.628	0.628	0.000	0.000	0.000	0.000
99	A	109	GLU	-1	-0.829	-0.911	27.235	38.037	38.037	0.000	0.000	0.000	0.000
100	A	110	GLU	-1	-0.788	-0.890	26.707	37.130	37.130	0.000	0.000	0.000	0.000
101	A	111	GLY	0	0.035	0.026	24.526	-0.103	-0.103	0.000	0.000	0.000	0.000
102	A	112	SER	0	-0.016	-0.004	22.995	2.197	2.197	0.000	0.000	0.000	0.000
103	A	113	VAL	0	0.042	0.012	16.795	-0.747	-0.747	0.000	0.000	0.000	0.000
104	A	114	THR	0	-0.012	-0.002	20.155	1.099	1.099	0.000	0.000	0.000	0.000
105	A	115	ASN	0	-0.003	0.003	21.000	-0.902	-0.902	0.000	0.000	0.000	0.000
106	A	116	MET	0	0.004	0.021	19.200	-1.170	-1.170	0.000	0.000	0.000	0.000
107	A	117	PHE	0	-0.002	-0.018	15.065	-0.119	-0.119	0.000	0.000	0.000	0.000
108	A	118	THR	0	-0.007	0.017	20.626	0.264	0.264	0.000	0.000	0.000	0.000
109	A	119	SER	0	0.031	0.016	23.443	-1.431	-1.431	0.000	0.000	0.000	0.000
110	A	120	ILE	0	-0.061	-0.021	22.287	-0.663	-0.663	0.000	0.000	0.000	0.000
111	A	121	VAL	0	-0.017	-0.017	18.570	-0.020	-0.020	0.000	0.000	0.000	0.000
112	A	122	GLY	0	0.017	0.028	21.799	0.973	0.973	0.000	0.000	0.000	0.000
113	A	123	ASN	0	0.107	0.018	23.993	1.524	1.524	0.000	0.000	0.000	0.000
114	A	124	VAL	0	0.026	0.017	24.634	-0.081	-0.081	0.000	0.000	0.000	0.000
115	A	125	PHE	0	0.027	0.017	19.870	-0.839	-0.839	0.000	0.000	0.000	0.000
116	A	126	GLY	0	0.015	0.005	24.099	0.514	0.514	0.000	0.000	0.000	0.000
117	A	127	PHE	0	-0.023	-0.006	26.425	-1.335	-1.335	0.000	0.000	0.000	0.000
118	A	128	LYS	1	0.821	0.915	29.459	-32.480	-32.480	0.000	0.000	0.000	0.000
119	A	129	ALA	0	-0.014	0.002	31.878	0.091	0.091	0.000	0.000	0.000	0.000
120	A	130	LEU	0	-0.020	-0.006	26.340	-0.318	-0.318	0.000	0.000	0.000	0.000
121	A	131	ARG	1	0.828	0.909	27.890	-38.088	-38.088	0.000	0.000	0.000	0.000
122	A	132	ALA	0	-0.021	-0.013	22.758	1.372	1.372	0.000	0.000	0.000	0.000
123	A	133	LEU	0	-0.017	-0.004	22.518	-1.787	-1.787	0.000	0.000	0.000	0.000
124	A	134	ARG	1	0.857	0.931	13.553	-65.798	-65.798	0.000	0.000	0.000	0.000
125	A	135	LEU	0	-0.025	0.013	18.096	-1.921	-1.921	0.000	0.000	0.000	0.000
126	A	136	GLU	-1	-0.806	-0.909	17.372	63.185	63.185	0.000	0.000	0.000	0.000
127	A	137	ASP	-1	-0.809	-0.913	17.594	58.011	58.011	0.000	0.000	0.000	0.000
128	A	138	LEU	0	0.026	-0.005	18.979	-2.073	-2.073	0.000	0.000	0.000	0.000
129	A	139	ARG	1	0.869	0.962	21.092	-38.559	-38.559	0.000	0.000	0.000	0.000
130	A	140	ILE	0	0.012	-0.010	20.262	-1.755	-1.755	0.000	0.000	0.000	0.000
131	A	141	PRO	0	-0.008	0.017	23.717	0.298	0.298	0.000	0.000	0.000	0.000
132	A	142	PRO	0	0.154	0.047	26.589	0.559	0.559	0.000	0.000	0.000	0.000
133	A	143	ALA	0	-0.020	-0.013	27.964	0.016	0.016	0.000	0.000	0.000	0.000
134	A	144	TYR	0	-0.002	-0.013	23.398	0.127	0.127	0.000	0.000	0.000	0.000
135	A	145	VAL	0	0.019	0.017	22.873	0.430	0.430	0.000	0.000	0.000	0.000
136	A	146	LYS	1	0.932	0.951	24.929	-38.696	-38.696	0.000	0.000	0.000	0.000
137	A	147	THR	0	-0.093	-0.035	26.567	-0.497	-0.497	0.000	0.000	0.000	0.000
138	A	148	PHE	0	-0.001	0.001	21.558	0.344	0.344	0.000	0.000	0.000	0.000
139	A	149	VAL	0	-0.017	-0.006	22.791	-0.656	-0.656	0.000	0.000	0.000	0.000
140	A	150	GLY	0	0.014	0.016	19.950	-0.375	-0.375	0.000	0.000	0.000	0.000
141	A	151	HYP	0	-0.039	-0.027	16.643	1.405	1.405	0.000	0.000	0.000	0.000
142	A	152	PRO	0	-0.021	0.013	17.589	-2.977	-2.977	0.000	0.000	0.000	0.000
143	A	153	HIS	0	-0.056	-0.038	19.220	-5.082	-5.082	0.000	0.000	0.000	0.000
144	A	154	GLY	0	0.042	0.024	17.860	-2.035	-2.035	0.000	0.000	0.000	0.000
145	A	155	ILE	0	-0.016	-0.019	15.631	-1.286	-1.286	0.000	0.000	0.000	0.000
146	A	156	GLN	0	-0.042	-0.013	18.231	0.259	0.259	0.000	0.000	0.000	0.000
147	A	157	VAL	0	0.072	0.037	21.903	-0.587	-0.587	0.000	0.000	0.000	0.000
148	A	158	GLU	-1	-0.820	-0.890	15.464	73.323	73.323	0.000	0.000	0.000	0.000
149	A	159	ARG	1	0.791	0.872	17.580	-62.904	-62.904	0.000	0.000	0.000	0.000
150	A	160	ASP	-1	-0.814	-0.899	21.012	45.649	45.649	0.000	0.000	0.000	0.000
151	A	161	LYS	1	0.810	0.931	21.572	-51.173	-51.173	0.000	0.000	0.000	0.000
152	A	162	LEU	0	-0.039	-0.023	17.039	-1.100	-1.100	0.000	0.000	0.000	0.000
153	A	163	ASN	0	-0.014	-0.004	21.459	-1.145	-1.145	0.000	0.000	0.000	0.000
154	A	164	LYS	1	0.754	0.886	17.714	-61.691	-61.691	0.000	0.000	0.000	0.000
155	A	165	TYR	0	-0.024	-0.035	21.350	1.115	1.115	0.000	0.000	0.000	0.000
156	A	166	GLY	0	0.021	0.015	22.197	-0.194	-0.194	0.000	0.000	0.000	0.000
157	A	167	ARG	1	0.797	0.895	15.806	-65.658	-65.658	0.000	0.000	0.000	0.000
158	A	168	GLY	0	0.050	0.042	15.105	0.112	0.112	0.000	0.000	0.000	0.000
159	A	169	LEU	0	-0.037	-0.021	13.399	-1.801	-1.801	0.000	0.000	0.000	0.000
160	A	170	LEU	0	0.008	0.012	9.999	6.172	6.172	0.000	0.000	0.000	0.000
161	A	171	GLY	0	0.036	-0.004	8.651	-5.382	-5.382	0.000	0.000	0.000	0.000
162	A	172	CYS	0	-0.049	-0.017	5.593	2.796	2.796	0.000	0.000	0.000	0.000
166	A	176	PRO	0	0.058	0.049	7.124	-8.833	-8.833	0.000	0.000	0.000	0.000
168	A	178	LEU	0	-0.022	-0.006	7.458	-6.534	-6.534	0.000	0.000	0.000	0.000
169	A	179	GLY	0	0.046	0.013	11.056	-0.206	-0.206	0.000	0.000	0.000	0.000
170	A	180	LEU	0	-0.041	0.001	11.426	-5.628	-5.628	0.000	0.000	0.000	0.000
171	A	181	SER	0	0.052	0.017	14.544	-0.187	-0.187	0.000	0.000	0.000	0.000
172	A	182	ALA	0	0.079	0.034	16.193	2.391	2.391	0.000	0.000	0.000	0.000
173	A	183	LYS	1	0.965	0.988	17.242	-46.560	-46.560	0.000	0.000	0.000	0.000
174	A	184	ASN	0	-0.013	-0.022	16.067	-1.286	-1.286	0.000	0.000	0.000	0.000
175	A	185	TYR	0	0.077	0.042	8.396	1.904	1.904	0.000	0.000	0.000	0.000
176	A	186	GLY	0	0.063	0.034	13.719	2.422	2.422	0.000	0.000	0.000	0.000
177	A	187	ARG	1	0.894	0.940	16.156	-54.745	-54.745	0.000	0.000	0.000	0.000
178	A	188	ALA	0	0.004	-0.002	11.829	-0.586	-0.586	0.000	0.000	0.000	0.000
179	A	189	VAL	0	0.051	0.022	11.319	2.021	2.021	0.000	0.000	0.000	0.000
180	A	190	TYR	0	-0.065	-0.055	13.339	-0.513	-0.513	0.000	0.000	0.000	0.000
181	A	191	GLU	-1	-0.915	-0.959	15.022	57.253	57.253	0.000	0.000	0.000	0.000
182	A	192	CYS	0	-0.022	-0.015	9.822	-0.232	-0.232	0.000	0.000	0.000	0.000
183	A	193	LEU	0	0.023	0.017	13.095	-1.353	-1.353	0.000	0.000	0.000	0.000
184	A	194	ARG	1	0.744	0.858	15.280	-56.246	-56.246	0.000	0.000	0.000	0.000
185	A	195	GLY	0	-0.031	-0.003	15.961	-2.628	-2.628	0.000	0.000	0.000	0.000
186	A	196	GLY	0	0.022	0.009	16.026	-0.855	-0.855	0.000	0.000	0.000	0.000
187	A	197	LEU	0	-0.029	-0.004	9.615	-0.119	-0.119	0.000	0.000	0.000	0.000
188	A	198	ASP	-1	-0.748	-0.835	13.295	66.744	66.744	0.000	0.000	0.000	0.000
189	A	199	PHE	0	0.038	0.003	10.603	-3.964	-3.964	0.000	0.000	0.000	0.000
190	A	200	THR	0	-0.037	-0.036	8.614	3.452	3.452	0.000	0.000	0.000	0.000
192	A	202	ASP	-1	-0.739	-0.843	6.891	84.481	84.481	0.000	0.000	0.000	0.000
196	A	205	ASN	0	0.009	-0.009	5.671	-4.960	-4.960	0.000	0.000	0.000	0.000
197	A	206	VAL	0	-0.019	0.009	8.305	-9.192	-9.192	0.000	0.000	0.000	0.000
198	A	207	ASN	0	-0.052	-0.026	10.316	-2.368	-2.368	0.000	0.000	0.000	0.000
199	A	208	SER	0	0.033	0.006	13.080	-2.036	-2.036	0.000	0.000	0.000	0.000
200	A	209	GLN	0	0.017	0.004	12.409	-1.490	-1.490	0.000	0.000	0.000	0.000
201	A	210	PRO	0	-0.004	-0.003	17.633	-1.162	-1.162	0.000	0.000	0.000	0.000
202	A	211	PHE	0	-0.025	0.000	13.020	-1.263	-1.263	0.000	0.000	0.000	0.000
203	A	212	MET	0	-0.059	-0.017	12.289	-1.020	-1.020	0.000	0.000	0.000	0.000
204	A	213	ARG	1	0.842	0.922	16.928	-49.841	-49.841	0.000	0.000	0.000	0.000
205	A	214	TRP	0	0.070	0.010	16.609	0.446	0.446	0.000	0.000	0.000	0.000
206	A	215	ARG	1	0.946	0.983	17.583	-44.074	-44.074	0.000	0.000	0.000	0.000
207	A	216	ASP	-1	-0.887	-0.949	20.072	48.373	48.373	0.000	0.000	0.000	0.000
208	A	217	ARG	1	0.792	0.873	12.501	-74.614	-74.614	0.000	0.000	0.000	0.000
209	A	218	PHE	0	0.009	-0.006	14.745	0.498	0.498	0.000	0.000	0.000	0.000
210	A	219	LEU	0	0.010	0.003	17.981	-0.652	-0.652	0.000	0.000	0.000	0.000
211	A	220	PHE	0	-0.015	-0.015	18.443	-0.964	-0.964	0.000	0.000	0.000	0.000
212	A	221	VAL	0	0.009	0.006	13.735	0.103	0.103	0.000	0.000	0.000	0.000
213	A	222	ALA	0	0.016	0.018	16.659	0.259	0.259	0.000	0.000	0.000	0.000
214	A	223	GLU	-1	-0.972	-0.974	19.469	46.208	46.208	0.000	0.000	0.000	0.000
215	A	224	ALA	0	-0.037	-0.021	16.915	-1.013	-1.013	0.000	0.000	0.000	0.000
216	A	225	ILE	0	0.013	-0.003	15.620	0.142	0.142	0.000	0.000	0.000	0.000
217	A	226	TYR	0	-0.031	-0.041	18.309	-0.809	-0.809	0.000	0.000	0.000	0.000
218	A	227	LYS	1	0.915	0.971	21.539	-48.335	-48.335	0.000	0.000	0.000	0.000
219	A	228	ALA	0	0.040	0.009	18.489	-1.210	-1.210	0.000	0.000	0.000	0.000
220	A	229	GLN	0	0.016	0.018	20.413	1.567	1.567	0.000	0.000	0.000	0.000
221	A	230	ALA	0	-0.019	-0.003	21.923	-1.387	-1.387	0.000	0.000	0.000	0.000
222	A	231	GLU	-1	-0.840	-0.912	22.430	48.811	48.811	0.000	0.000	0.000	0.000
223	A	232	THR	0	-0.020	-0.026	19.872	-0.914	-0.914	0.000	0.000	0.000	0.000
224	A	233	GLY	0	-0.018	0.000	23.274	-1.002	-1.002	0.000	0.000	0.000	0.000
225	A	234	GLU	-1	-0.768	-0.857	19.746	55.825	55.825	0.000	0.000	0.000	0.000
226	A	235	VAL	0	0.019	0.003	19.463	0.394	0.394	0.000	0.000	0.000	0.000
227	A	236	LYS	1	0.826	0.919	16.652	-61.188	-61.188	0.000	0.000	0.000	0.000
228	A	237	GLY	0	0.011	-0.010	15.188	-2.974	-2.974	0.000	0.000	0.000	0.000
229	A	238	HIS	0	-0.026	-0.024	9.754	3.087	3.087	0.000	0.000	0.000	0.000
230	A	239	TYR	0	-0.007	-0.009	7.191	-8.118	-8.118	0.000	0.000	0.000	0.000
231	A	240	LEU	0	-0.029	-0.006	9.826	3.958	3.958	0.000	0.000	0.000	0.000
232	A	241	ASN	0	-0.001	-0.020	8.608	-4.950	-4.950	0.000	0.000	0.000	0.000
233	A	242	ALA	0	-0.020	-0.007	11.214	-4.103	-4.103	0.000	0.000	0.000	0.000
234	A	243	THR	0	-0.007	0.002	10.122	-5.325	-5.325	0.000	0.000	0.000	0.000
235	A	244	ALA	0	-0.016	-0.008	13.226	-1.152	-1.152	0.000	0.000	0.000	0.000
236	A	245	GLY	0	0.048	0.023	16.403	0.745	0.745	0.000	0.000	0.000	0.000
237	A	246	THR	0	0.027	0.018	19.092	-0.583	-0.583	0.000	0.000	0.000	0.000
238	B	247	CYS	0	0.074	-0.011	20.399	1.242	1.242	0.000	0.000	0.000	0.000
239	A	248	GLU	-1	-0.844	-0.916	21.994	44.263	44.263	0.000	0.000	0.000	0.000
240	A	249	GLU	-1	-0.864	-0.925	19.993	49.034	49.034	0.000	0.000	0.000	0.000
241	A	250	MET	0	-0.017	0.014	16.550	1.217	1.217	0.000	0.000	0.000	0.000
242	A	251	MET	0	0.009	-0.002	18.805	1.244	1.244	0.000	0.000	0.000	0.000
243	A	252	LYS	1	0.880	0.939	21.510	-45.245	-45.245	0.000	0.000	0.000	0.000
244	A	253	ARG	1	0.762	0.883	15.755	-59.406	-59.406	0.000	0.000	0.000	0.000
245	A	254	ALA	0	0.039	0.022	18.364	0.617	0.617	0.000	0.000	0.000	0.000
246	A	255	VAL	0	0.007	0.001	19.216	-0.461	-0.461	0.000	0.000	0.000	0.000
247	A	256	SMC	0	-0.057	-0.012	20.880	-0.318	-0.318	0.000	0.000	0.000	0.000
248	A	257	ALA	0	0.047	0.009	17.673	-0.385	-0.385	0.000	0.000	0.000	0.000
249	A	258	LYS	1	0.907	0.945	19.674	-43.340	-43.340	0.000	0.000	0.000	0.000
250	A	259	GLU	-1	-0.985	-1.003	22.474	40.893	40.893	0.000	0.000	0.000	0.000
251	A	260	LEU	0	-0.058	-0.017	20.326	-1.160	-1.160	0.000	0.000	0.000	0.000
252	A	261	GLY	0	0.026	0.042	23.188	0.052	0.052	0.000	0.000	0.000	0.000
253	A	262	VAL	0	-0.038	-0.015	17.447	0.342	0.342	0.000	0.000	0.000	0.000
254	A	263	PRO	0	0.040	0.011	17.014	-0.609	-0.609	0.000	0.000	0.000	0.000
255	A	264	ILE	0	-0.055	-0.017	12.330	-0.363	-0.363	0.000	0.000	0.000	0.000
256	A	265	ILE	0	0.010	0.014	13.173	0.131	0.131	0.000	0.000	0.000	0.000
257	A	266	MET	0	-0.059	-0.016	5.236	2.611	2.611	0.000	0.000	0.000	0.000
258	A	267	HIS	0	-0.027	-0.036	10.005	-6.539	-6.539	0.000	0.000	0.000	0.000
259	A	268	ASP	-1	-0.780	-0.904	7.817	110.130	110.130	0.000	0.000	0.000	0.000
260	A	269	TYR	0	-0.037	-0.020	7.492	-2.873	-2.873	0.000	0.000	0.000	0.000
261	A	270	LEU	0	-0.016	0.008	7.886	-5.876	-5.876	0.000	0.000	0.000	0.000
262	A	271	THR	0	-0.035	-0.031	9.802	-3.739	-3.739	0.000	0.000	0.000	0.000
263	A	272	GLY	0	0.024	0.021	12.285	-4.699	-4.699	0.000	0.000	0.000	0.000
264	A	273	GLY	0	-0.023	-0.016	13.858	-4.888	-4.888	0.000	0.000	0.000	0.000
265	A	274	PHE	0	0.041	-0.007	13.568	1.009	1.009	0.000	0.000	0.000	0.000
266	A	275	THR	0	-0.004	0.015	16.791	-0.642	-0.642	0.000	0.000	0.000	0.000
267	A	276	ALA	0	0.033	-0.001	17.564	-1.431	-1.431	0.000	0.000	0.000	0.000
268	A	277	ASN	0	0.055	0.030	13.861	3.591	3.591	0.000	0.000	0.000	0.000
269	A	278	THR	0	-0.019	-0.001	16.568	-0.011	-0.011	0.000	0.000	0.000	0.000
270	A	279	SER	0	-0.007	-0.004	19.343	-1.295	-1.295	0.000	0.000	0.000	0.000
271	A	280	LEU	0	0.012	0.013	15.141	-1.601	-1.601	0.000	0.000	0.000	0.000
272	A	281	ALA	0	0.019	0.014	17.591	-0.498	-0.498	0.000	0.000	0.000	0.000
273	A	282	ILE	0	0.009	0.001	19.202	-1.153	-1.153	0.000	0.000	0.000	0.000
274	A	283	TYR	0	0.053	0.023	20.735	-1.155	-1.155	0.000	0.000	0.000	0.000
275	A	284	CYS	0	-0.041	-0.019	18.024	-0.383	-0.383	0.000	0.000	0.000	0.000
276	A	285	ARG	1	0.854	0.917	20.695	-48.422	-48.422	0.000	0.000	0.000	0.000
277	A	286	ASP	-1	-0.940	-0.965	23.338	41.102	41.102	0.000	0.000	0.000	0.000
278	A	287	ASN	0	-0.134	-0.073	23.245	-2.874	-2.874	0.000	0.000	0.000	0.000
279	A	288	GLY	0	-0.028	-0.004	23.293	0.109	0.109	0.000	0.000	0.000	0.000
280	A	289	LEU	0	-0.034	-0.017	17.847	0.515	0.515	0.000	0.000	0.000	0.000
281	A	290	LEU	0	-0.017	-0.007	15.885	-0.131	-0.131	0.000	0.000	0.000	0.000
282	A	291	LEU	0	-0.005	-0.013	13.281	1.253	1.253	0.000	0.000	0.000	0.000
283	A	292	HIS	0	0.023	-0.007	5.506	-7.733	-7.733	0.000	0.000	0.000	0.000
284	A	293	ILE	0	-0.012	-0.001	8.182	-0.652	-0.652	0.000	0.000	0.000	0.000
288	A	297	MET	0	0.006	-0.003	5.884	-13.022	-13.022	0.000	0.000	0.000	0.000
290	A	299	ALA	0	0.004	0.019	6.452	-7.922	-7.922	0.000	0.000	0.000	0.000
291	A	300	VAL	0	-0.041	-0.012	8.308	-7.690	-7.690	0.000	0.000	0.000	0.000
292	A	301	ILE	0	-0.031	-0.019	10.702	-6.440	-6.440	0.000	0.000	0.000	0.000
293	A	302	ASP	-1	-0.794	-0.891	8.279	107.270	107.270	0.000	0.000	0.000	0.000
294	A	303	ARG	1	0.820	0.928	9.139	-95.180	-95.180	0.000	0.000	0.000	0.000
295	A	304	GLN	0	-0.025	-0.023	11.172	-5.231	-5.231	0.000	0.000	0.000	0.000
296	A	305	ARG	1	0.880	0.953	14.965	-53.796	-53.796	0.000	0.000	0.000	0.000
297	A	306	ASN	0	-0.013	-0.021	17.201	0.385	0.385	0.000	0.000	0.000	0.000
298	A	307	HIS	0	-0.022	-0.034	18.215	-3.592	-3.592	0.000	0.000	0.000	0.000
299	A	308	GLY	0	0.054	0.045	15.897	2.956	2.956	0.000	0.000	0.000	0.000
300	A	309	ILE	0	-0.032	-0.023	14.101	-3.792	-3.792	0.000	0.000	0.000	0.000
301	A	310	HIS	0	0.046	0.032	12.166	4.712	4.712	0.000	0.000	0.000	0.000
302	A	311	PHE	0	0.068	0.024	7.063	0.824	0.824	0.000	0.000	0.000	0.000
303	A	312	ARG	1	0.915	0.941	10.487	-65.172	-65.172	0.000	0.000	0.000	0.000
304	A	313	VAL	0	-0.012	0.008	12.999	-2.510	-2.510	0.000	0.000	0.000	0.000
305	A	314	LEU	0	-0.018	-0.012	9.693	-1.744	-1.744	0.000	0.000	0.000	0.000
306	A	315	ALA	0	0.002	0.004	10.198	0.518	0.518	0.000	0.000	0.000	0.000
307	A	316	LYS	1	0.819	0.895	11.467	-57.527	-57.527	0.000	0.000	0.000	0.000
308	A	317	ALA	0	0.025	-0.001	14.255	-2.289	-2.289	0.000	0.000	0.000	0.000
309	A	318	LEU	0	0.001	0.009	10.416	-2.268	-2.268	0.000	0.000	0.000	0.000
310	A	319	ARG	1	0.775	0.899	13.305	-60.722	-60.722	0.000	0.000	0.000	0.000
311	A	320	MET	0	-0.009	-0.006	15.585	-2.300	-2.300	0.000	0.000	0.000	0.000
312	A	321	SER	0	-0.044	-0.023	15.604	-1.399	-1.399	0.000	0.000	0.000	0.000
313	A	322	GLY	0	0.015	0.001	16.030	-2.385	-2.385	0.000	0.000	0.000	0.000
314	A	323	GLY	0	0.036	-0.009	13.370	2.394	2.394	0.000	0.000	0.000	0.000
315	A	324	ASP	-1	-0.726	-0.853	14.413	61.429	61.429	0.000	0.000	0.000	0.000
316	A	325	HIS	1	0.743	0.863	9.700	-88.013	-88.013	0.000	0.000	0.000	0.000
317	A	326	LEU	0	0.037	0.009	6.746	-1.958	-1.958	0.000	0.000	0.000	0.000
322	A	331	VAL	0	0.019	0.034	7.076	-11.483	-11.483	0.000	0.000	0.000	0.000
323	A	332	VAL	0	-0.008	-0.017	9.423	-3.527	-3.527	0.000	0.000	0.000	0.000
324	A	333	GLY	0	-0.002	0.017	7.120	-3.547	-3.547	0.000	0.000	0.000	0.000
328	A	337	GLY	0	0.029	-0.001	5.980	12.361	12.361	0.000	0.000	0.000	0.000
329	A	338	GLU	-1	-0.855	-0.925	8.291	67.449	67.449	0.000	0.000	0.000	0.000
330	A	339	ARG	1	0.920	0.937	11.999	-64.404	-64.404	0.000	0.000	0.000	0.000
331	A	340	GLU	-1	-0.840	-0.907	13.754	60.188	60.188	0.000	0.000	0.000	0.000
332	A	341	VAL	0	-0.027	-0.012	11.663	-1.040	-1.040	0.000	0.000	0.000	0.000
333	A	342	THR	0	-0.052	-0.038	9.581	3.435	3.435	0.000	0.000	0.000	0.000
334	A	343	LEU	0	-0.023	-0.012	11.636	0.403	0.403	0.000	0.000	0.000	0.000
335	A	344	GLY	0	0.054	0.042	14.843	-2.086	-2.086	0.000	0.000	0.000	0.000
336	A	345	PHE	0	-0.033	-0.028	8.207	-1.584	-1.584	0.000	0.000	0.000	0.000
337	A	346	VAL	0	0.004	-0.003	10.851	1.123	1.123	0.000	0.000	0.000	0.000
338	A	347	ASP	-1	-0.842	-0.913	13.175	59.170	59.170	0.000	0.000	0.000	0.000
339	A	348	LEU	0	-0.088	-0.039	15.216	-2.216	-2.216	0.000	0.000	0.000	0.000
340	A	349	MET	0	-0.093	-0.020	9.627	0.776	0.776	0.000	0.000	0.000	0.000
341	A	350	ARG	1	0.838	0.908	14.315	-72.337	-72.337	0.000	0.000	0.000	0.000
342	A	351	ASP	-1	-0.865	-0.918	16.737	54.349	54.349	0.000	0.000	0.000	0.000
343	A	352	ASP	-1	-0.901	-0.961	20.172	45.216	45.216	0.000	0.000	0.000	0.000
344	A	353	TYR	0	-0.002	0.000	23.319	-1.094	-1.094	0.000	0.000	0.000	0.000
345	A	354	VAL	0	0.018	0.016	19.693	0.481	0.481	0.000	0.000	0.000	0.000
346	A	355	GLU	-1	-0.916	-0.964	23.058	39.339	39.339	0.000	0.000	0.000	0.000
347	A	356	LYS	1	0.919	0.956	23.837	-38.855	-38.855	0.000	0.000	0.000	0.000
348	A	357	ASP	-1	-0.795	-0.898	22.288	48.111	48.111	0.000	0.000	0.000	0.000
349	A	358	ARG	1	0.885	0.937	21.809	-43.712	-43.712	0.000	0.000	0.000	0.000
350	A	359	SER	0	-0.091	-0.040	21.622	1.541	1.541	0.000	0.000	0.000	0.000
351	A	360	ARG	1	0.979	0.986	17.619	-56.153	-56.153	0.000	0.000	0.000	0.000
352	A	361	GLY	0	-0.054	-0.033	17.317	3.215	3.215	0.000	0.000	0.000	0.000
353	A	362	ILE	0	-0.031	0.004	18.621	0.784	0.784	0.000	0.000	0.000	0.000
354	A	363	TYR	0	-0.040	-0.037	19.596	-3.229	-3.229	0.000	0.000	0.000	0.000
355	A	364	PHE	0	-0.074	-0.043	22.494	-2.654	-2.654	0.000	0.000	0.000	0.000
356	A	365	THR	0	0.045	0.033	23.165	1.783	1.783	0.000	0.000	0.000	0.000
357	A	366	GLN	0	-0.051	-0.011	20.276	-0.210	-0.210	0.000	0.000	0.000	0.000
358	A	367	ASP	-1	-0.844	-0.925	23.490	41.682	41.682	0.000	0.000	0.000	0.000
359	A	368	TRP	0	-0.026	-0.029	17.653	-0.029	-0.029	0.000	0.000	0.000	0.000
360	A	369	SMC	0	-0.045	-0.011	23.541	-0.368	-0.368	0.000	0.000	0.000	0.000
361	A	370	SER	0	-0.025	-0.027	25.743	-1.271	-1.271	0.000	0.000	0.000	0.000
362	A	371	MET	0	-0.059	-0.001	20.412	0.949	0.949	0.000	0.000	0.000	0.000
363	A	372	PRO	0	0.013	0.015	20.107	1.208	1.208	0.000	0.000	0.000	0.000
364	A	373	GLY	0	0.053	0.036	17.937	1.193	1.193	0.000	0.000	0.000	0.000
365	A	374	VAL	0	-0.041	-0.028	11.869	-0.116	-0.116	0.000	0.000	0.000	0.000
366	A	375	MET	0	-0.002	-0.001	11.703	0.368	0.368	0.000	0.000	0.000	0.000
367	A	376	PRO	0	0.004	-0.001	9.088	5.640	5.640	0.000	0.000	0.000	0.000
368	A	377	VAL	0	-0.021	-0.012	5.492	-3.813	-3.813	0.000	0.000	0.000	0.000
375	A	384	VAL	0	0.057	0.014	8.214	-4.463	-4.463	0.000	0.000	0.000	0.000
376	A	385	TRP	0	-0.069	-0.033	11.535	-6.382	-6.382	0.000	0.000	0.000	0.000
377	A	386	HIS	0	0.039	0.030	9.053	0.720	0.720	0.000	0.000	0.000	0.000
378	A	387	MET	0	-0.048	0.001	10.785	0.419	0.419	0.000	0.000	0.000	0.000
379	A	388	PRO	0	0.024	0.000	13.122	-0.966	-0.966	0.000	0.000	0.000	0.000
380	A	389	ALA	0	0.018	0.014	14.467	-1.748	-1.748	0.000	0.000	0.000	0.000
381	A	390	LEU	0	0.008	0.007	9.252	0.762	0.762	0.000	0.000	0.000	0.000
382	A	391	VAL	0	0.008	-0.008	13.221	-0.825	-0.825	0.000	0.000	0.000	0.000
383	A	392	GLU	-1	-0.921	-0.950	16.070	61.603	61.603	0.000	0.000	0.000	0.000
384	A	393	ILE	0	-0.032	-0.004	12.073	-1.467	-1.467	0.000	0.000	0.000	0.000
385	A	394	PHE	0	-0.032	-0.017	8.581	-0.353	-0.353	0.000	0.000	0.000	0.000
386	A	395	GLY	0	0.036	0.029	13.909	-2.907	-2.907	0.000	0.000	0.000	0.000
387	A	396	ASP	-1	-0.825	-0.928	15.574	63.146	63.146	0.000	0.000	0.000	0.000
388	A	397	ASP	-1	-0.891	-0.933	15.951	62.620	62.620	0.000	0.000	0.000	0.000
389	A	398	ALA	0	0.035	0.018	10.963	2.335	2.335	0.000	0.000	0.000	0.000
390	A	399	CYS	0	-0.043	-0.009	9.691	-2.913	-2.913	0.000	0.000	0.000	0.000
391	A	400	LEU	0	0.003	0.005	8.694	9.646	9.646	0.000	0.000	0.000	0.000
397	A	406	THR	0	-0.064	-0.040	5.865	-22.002	-22.002	0.000	0.000	0.000	0.000
398	A	407	LEU	0	-0.020	-0.029	6.488	-12.919	-12.919	0.000	0.000	0.000	0.000
399	A	408	GLY	0	0.022	0.009	7.220	-7.652	-7.652	0.000	0.000	0.000	0.000
400	A	409	HIS	0	-0.034	0.005	8.434	-5.427	-5.427	0.000	0.000	0.000	0.000
401	A	410	PRO	0	-0.009	-0.014	11.394	-2.130	-2.130	0.000	0.000	0.000	0.000
402	A	411	TRP	0	-0.018	-0.032	14.633	-3.190	-3.190	0.000	0.000	0.000	0.000
403	A	412	GLY	0	0.051	0.040	13.617	-2.977	-2.977	0.000	0.000	0.000	0.000
404	A	413	ASN	0	0.012	-0.005	11.185	3.205	3.205	0.000	0.000	0.000	0.000
405	A	414	ALA	0	0.036	0.038	12.746	1.936	1.936	0.000	0.000	0.000	0.000
406	A	415	PRO	0	0.003	-0.018	15.513	-0.013	-0.013	0.000	0.000	0.000	0.000
407	A	416	GLY	0	0.035	0.017	11.640	0.053	0.053	0.000	0.000	0.000	0.000
408	A	417	ALA	0	-0.009	-0.003	11.381	3.383	3.383	0.000	0.000	0.000	0.000
409	A	418	ALA	0	0.017	0.016	12.349	-0.028	-0.028	0.000	0.000	0.000	0.000
410	A	419	ALA	0	-0.045	-0.015	12.992	-1.640	-1.640	0.000	0.000	0.000	0.000
411	A	420	ASN	0	0.018	-0.004	8.439	-1.641	-1.641	0.000	0.000	0.000	0.000
412	A	421	ARG	1	0.756	0.865	11.999	-62.467	-62.467	0.000	0.000	0.000	0.000
413	A	422	VAL	0	0.004	-0.002	14.817	-2.617	-2.617	0.000	0.000	0.000	0.000
414	A	423	ALA	0	-0.012	-0.002	13.711	-2.291	-2.291	0.000	0.000	0.000	0.000
415	A	424	LEU	0	0.037	0.004	13.633	-1.751	-1.751	0.000	0.000	0.000	0.000
416	A	425	GLU	-1	-0.783	-0.891	15.520	53.670	53.670	0.000	0.000	0.000	0.000
417	A	426	ALA	0	0.008	0.002	19.009	-2.647	-2.647	0.000	0.000	0.000	0.000
418	A	427	CYS	0	-0.050	-0.024	17.381	-1.837	-1.837	0.000	0.000	0.000	0.000
419	A	428	THR	0	0.006	0.005	18.410	-1.158	-1.158	0.000	0.000	0.000	0.000
420	A	429	GLN	0	-0.008	-0.001	20.796	-3.295	-3.295	0.000	0.000	0.000	0.000
421	A	430	ALA	0	-0.017	-0.010	22.746	-1.724	-1.724	0.000	0.000	0.000	0.000
422	A	431	ARG	1	0.821	0.893	19.977	-57.620	-57.620	0.000	0.000	0.000	0.000
423	A	432	ASN	0	-0.012	-0.004	24.221	-0.011	-0.011	0.000	0.000	0.000	0.000
424	A	433	GLU	-1	-0.960	-0.993	26.668	41.149	41.149	0.000	0.000	0.000	0.000
425	A	434	GLY	0	-0.017	0.003	27.910	-1.455	-1.455	0.000	0.000	0.000	0.000
426	A	435	ARG	1	0.843	0.930	25.640	-45.890	-45.890	0.000	0.000	0.000	0.000
427	A	436	ASP	-1	-0.833	-0.919	24.818	51.090	51.090	0.000	0.000	0.000	0.000
428	A	437	LEU	0	-0.023	-0.017	19.314	0.329	0.329	0.000	0.000	0.000	0.000
429	A	438	ALA	0	0.022	0.017	21.253	1.664	1.664	0.000	0.000	0.000	0.000
430	A	439	ARG	1	0.889	0.946	22.226	-45.292	-45.292	0.000	0.000	0.000	0.000
431	A	440	GLU	-1	-0.830	-0.929	24.573	43.965	43.965	0.000	0.000	0.000	0.000
432	A	441	GLY	0	0.051	0.030	20.131	0.066	0.066	0.000	0.000	0.000	0.000
433	A	442	GLY	0	-0.032	-0.029	19.855	1.170	1.170	0.000	0.000	0.000	0.000
434	A	443	ASP	-1	-0.868	-0.942	20.864	46.453	46.453	0.000	0.000	0.000	0.000
435	A	444	VAL	0	-0.038	-0.006	20.283	-1.146	-1.146	0.000	0.000	0.000	0.000
436	A	445	ILE	0	0.022	0.007	16.053	-0.649	-0.649	0.000	0.000	0.000	0.000
437	A	446	ARG	1	0.935	0.955	19.354	-52.118	-52.118	0.000	0.000	0.000	0.000
438	A	447	SER	0	-0.043	-0.012	22.003	-2.004	-2.004	0.000	0.000	0.000	0.000
439	A	448	ALA	0	0.023	0.010	19.796	-1.428	-1.428	0.000	0.000	0.000	0.000
440	A	449	CYS	0	-0.114	-0.068	13.859	1.677	1.677	0.000	0.000	0.000	0.000
441	A	450	LYS	1	0.912	0.961	21.058	-40.964	-40.964	0.000	0.000	0.000	0.000
442	A	451	TRP	0	-0.048	-0.023	21.766	-1.232	-1.232	0.000	0.000	0.000	0.000
443	A	452	SER	0	0.011	0.024	19.822	-0.028	-0.028	0.000	0.000	0.000	0.000
444	A	453	PRO	0	0.041	0.009	20.719	1.605	1.605	0.000	0.000	0.000	0.000
445	A	454	GLU	-1	-0.810	-0.909	16.855	54.187	54.187	0.000	0.000	0.000	0.000
446	A	455	LEU	0	0.044	0.022	15.133	3.904	3.904	0.000	0.000	0.000	0.000
447	A	456	ALA	0	-0.007	-0.004	16.614	2.423	2.423	0.000	0.000	0.000	0.000
448	A	457	ALA	0	-0.024	-0.011	17.118	0.567	0.567	0.000	0.000	0.000	0.000
449	A	458	ALA	0	-0.012	-0.002	12.424	1.877	1.877	0.000	0.000	0.000	0.000
450	A	460	GLU	-1	-0.892	-0.943	15.958	55.322	55.322	0.000	0.000	0.000	0.000
451	A	461	VAL	0	-0.056	-0.017	11.988	-0.257	-0.257	0.000	0.000	0.000	0.000
452	A	462	TRP	0	-0.011	-0.019	8.297	2.399	2.399	0.000	0.000	0.000	0.000
453	A	463	LYS	1	0.922	0.980	13.008	-52.104	-52.104	0.000	0.000	0.000	0.000
454	A	464	GLU	-1	-0.889	-0.957	15.978	59.359	59.359	0.000	0.000	0.000	0.000
455	A	465	ILE	0	-0.106	-0.029	9.541	0.653	0.653	0.000	0.000	0.000	0.000
456	A	466	LYS	1	0.980	0.984	12.135	-65.399	-65.399	0.000	0.000	0.000	0.000
457	A	467	PHE	0	-0.011	-0.003	7.108	2.501	2.501	0.000	0.000	0.000	0.000
458	A	468	GLU	-1	-0.946	-0.974	11.711	72.166	72.166	0.000	0.000	0.000	0.000
459	A	469	PHE	0	0.016	-0.002	12.284	-2.149	-2.149	0.000	0.000	0.000	0.000
460	A	470	ASP	-1	-0.868	-0.937	15.018	61.501	61.501	0.000	0.000	0.000	0.000
461	A	471	THR	0	-0.027	-0.008	12.228	2.172	2.172	0.000	0.000	0.000	0.000
462	A	472	ILE	0	-0.038	-0.028	12.749	-4.983	-4.983	0.000	0.000	0.000	0.000
463	A	473	ASP	-1	-0.842	-0.908	11.447	73.245	73.245	0.000	0.000	0.000	0.000
464	A	474	LYS	1	0.889	0.952	13.501	-58.879	-58.879	0.000	0.000	0.000	0.000
465	A	475	LEU	0	0.011	0.007	16.369	-3.487	-3.487	0.000	0.000	0.000	0.000
466	B	9	ALA	0	-0.003	-0.007	25.970	-0.004	-0.004	0.000	0.000	0.000	0.000
467	B	10	GLY	0	0.023	0.012	25.070	-0.027	-0.027	0.000	0.000	0.000	0.000
468	B	11	ALA	0	-0.024	-0.023	19.774	0.553	0.553	0.000	0.000	0.000	0.000
469	B	12	GLY	0	0.028	0.026	19.761	0.202	0.202	0.000	0.000	0.000	0.000
470	B	13	PHE	0	-0.034	-0.009	11.518	0.900	0.900	0.000	0.000	0.000	0.000
471	B	14	LYS	1	0.944	0.963	15.212	-60.343	-60.343	0.000	0.000	0.000	0.000
472	B	15	ALA	0	0.022	0.018	12.212	2.702	2.702	0.000	0.000	0.000	0.000
473	B	16	GLY	0	0.049	0.019	11.061	-4.661	-4.661	0.000	0.000	0.000	0.000
474	B	17	VAL	0	0.000	0.003	9.155	2.885	2.885	0.000	0.000	0.000	0.000
475	B	18	LYS	1	0.879	0.947	11.284	-79.406	-79.406	0.000	0.000	0.000	0.000
476	B	19	ASP	-1	-0.879	-0.923	12.246	72.693	72.693	0.000	0.000	0.000	0.000
477	B	20	TYR	0	-0.029	-0.045	6.588	-3.662	-3.662	0.000	0.000	0.000	0.000
478	B	21	ARG	1	0.923	0.949	13.297	-58.832	-58.832	0.000	0.000	0.000	0.000
479	B	22	LEU	0	-0.050	-0.021	16.303	-3.325	-3.325	0.000	0.000	0.000	0.000
480	B	23	THR	0	-0.061	-0.026	14.087	-3.504	-3.504	0.000	0.000	0.000	0.000
481	B	24	TYR	0	0.016	-0.005	11.212	0.501	0.501	0.000	0.000	0.000	0.000
482	B	25	TYR	0	0.013	0.028	16.277	-0.515	-0.515	0.000	0.000	0.000	0.000
483	B	26	THR	0	-0.061	-0.050	19.540	-0.742	-0.742	0.000	0.000	0.000	0.000
484	B	27	PRO	0	0.022	0.017	22.408	-0.201	-0.201	0.000	0.000	0.000	0.000
485	B	28	ASP	-1	-0.886	-0.927	25.617	40.894	40.894	0.000	0.000	0.000	0.000
486	B	29	TYR	0	-0.176	-0.115	23.843	-0.830	-0.830	0.000	0.000	0.000	0.000
487	B	30	VAL	0	0.013	0.011	26.305	-0.365	-0.365	0.000	0.000	0.000	0.000
488	B	31	VAL	0	-0.018	-0.013	25.033	0.709	0.709	0.000	0.000	0.000	0.000
489	B	32	ARG	1	0.942	0.975	25.106	-47.241	-47.241	0.000	0.000	0.000	0.000
490	B	33	ASP	-1	-0.874	-0.945	26.869	39.782	39.782	0.000	0.000	0.000	0.000
491	B	34	THR	0	-0.050	-0.043	25.250	-0.397	-0.397	0.000	0.000	0.000	0.000
492	B	35	ASP	-1	-0.816	-0.876	22.578	52.474	52.474	0.000	0.000	0.000	0.000
493	B	36	ILE	0	0.015	0.011	18.581	-1.879	-1.879	0.000	0.000	0.000	0.000
494	B	37	LEU	0	-0.050	-0.013	20.303	1.818	1.818	0.000	0.000	0.000	0.000
495	B	38	ALA	0	0.021	0.019	17.555	-0.451	-0.451	0.000	0.000	0.000	0.000
496	B	39	ALA	0	0.015	0.018	19.478	-0.520	-0.520	0.000	0.000	0.000	0.000
497	B	40	PHE	0	0.010	-0.007	13.851	0.438	0.438	0.000	0.000	0.000	0.000
498	B	41	ARG	1	0.827	0.908	18.674	-51.438	-51.438	0.000	0.000	0.000	0.000
499	B	42	MET	0	-0.005	0.004	16.339	3.839	3.839	0.000	0.000	0.000	0.000
500	B	43	THR	0	0.006	0.004	17.311	-4.610	-4.610	0.000	0.000	0.000	0.000
501	B	44	PRO	0	0.030	0.012	16.897	4.357	4.357	0.000	0.000	0.000	0.000
502	B	45	GLN	0	0.001	0.011	13.852	-7.805	-7.805	0.000	0.000	0.000	0.000
503	B	46	PRO	0	0.009	-0.008	17.877	-1.277	-1.277	0.000	0.000	0.000	0.000
504	B	47	GLY	0	-0.004	-0.001	20.578	1.242	1.242	0.000	0.000	0.000	0.000
505	B	48	VAL	0	-0.029	0.001	15.987	1.221	1.221	0.000	0.000	0.000	0.000
506	B	49	PRO	0	-0.010	-0.002	18.163	-1.575	-1.575	0.000	0.000	0.000	0.000
507	B	50	PRO	0	0.096	0.036	19.004	3.645	3.645	0.000	0.000	0.000	0.000
508	B	51	GLU	-1	-0.883	-0.956	19.444	54.489	54.489	0.000	0.000	0.000	0.000
509	B	52	GLU	-1	-0.769	-0.891	13.733	79.688	79.688	0.000	0.000	0.000	0.000
510	B	53	CYS	0	-0.015	-0.009	14.874	5.729	5.729	0.000	0.000	0.000	0.000
511	B	54	GLY	0	0.048	0.013	14.607	4.191	4.191	0.000	0.000	0.000	0.000
512	B	55	ALA	0	-0.031	-0.006	15.310	2.031	2.031	0.000	0.000	0.000	0.000
513	B	56	ALA	0	0.012	0.011	10.953	4.042	4.042	0.000	0.000	0.000	0.000
514	B	57	VAL	0	-0.016	-0.005	10.600	8.121	8.121	0.000	0.000	0.000	0.000
515	B	58	ALA	0	0.019	0.005	11.351	2.470	2.470	0.000	0.000	0.000	0.000
516	B	59	ALA	0	-0.032	-0.003	10.168	1.342	1.342	0.000	0.000	0.000	0.000
518	B	61	SER	0	0.014	0.038	6.901	6.384	6.384	0.000	0.000	0.000	0.000
519	B	62	SER	0	-0.057	-0.049	9.503	-7.181	-7.181	0.000	0.000	0.000	0.000
520	B	63	THR	0	-0.015	-0.019	9.928	-0.019	-0.019	0.000	0.000	0.000	0.000
521	B	64	GLY	0	-0.009	0.007	8.213	2.295	2.295	0.000	0.000	0.000	0.000
525	B	68	THR	0	-0.049	-0.019	6.724	4.426	4.426	0.000	0.000	0.000	0.000
526	B	69	VAL	0	0.029	0.008	5.731	2.294	2.294	0.000	0.000	0.000	0.000
527	B	70	TRP	0	-0.031	-0.028	8.859	-8.321	-8.321	0.000	0.000	0.000	0.000
528	B	71	THR	0	-0.056	-0.081	9.731	-4.777	-4.777	0.000	0.000	0.000	0.000
529	B	72	ASP	-1	-0.857	-0.925	10.758	86.314	86.314	0.000	0.000	0.000	0.000
530	B	73	GLY	0	-0.040	-0.020	12.978	-3.478	-3.478	0.000	0.000	0.000	0.000
531	B	74	LEU	0	-0.094	-0.038	15.233	-3.782	-3.782	0.000	0.000	0.000	0.000
532	B	75	THR	0	-0.052	-0.035	14.559	-3.389	-3.389	0.000	0.000	0.000	0.000
533	B	76	SER	0	-0.018	-0.004	17.475	-1.042	-1.042	0.000	0.000	0.000	0.000
534	B	77	LEU	0	0.098	0.025	12.232	-0.418	-0.418	0.000	0.000	0.000	0.000
535	B	78	ASP	-1	-0.946	-0.962	16.242	55.402	55.402	0.000	0.000	0.000	0.000
536	B	79	ARG	1	0.864	0.945	19.533	-51.999	-51.999	0.000	0.000	0.000	0.000
537	B	80	TYR	0	-0.006	-0.011	15.278	-1.244	-1.244	0.000	0.000	0.000	0.000
538	B	81	LYS	1	0.876	0.955	14.729	-59.791	-59.791	0.000	0.000	0.000	0.000
539	B	82	GLY	0	0.043	0.022	14.703	-3.944	-3.944	0.000	0.000	0.000	0.000
540	B	83	ARG	1	0.856	0.928	16.140	-54.066	-54.066	0.000	0.000	0.000	0.000
541	B	84	CYS	0	-0.013	0.011	17.578	-1.573	-1.573	0.000	0.000	0.000	0.000
542	B	85	TYR	0	0.006	-0.018	19.231	-0.490	-0.490	0.000	0.000	0.000	0.000
543	B	86	ASP	-1	-0.858	-0.932	22.537	43.188	43.188	0.000	0.000	0.000	0.000
544	B	87	ILE	0	-0.068	-0.032	20.540	2.956	2.956	0.000	0.000	0.000	0.000
545	B	88	GLU	-1	-0.834	-0.897	24.112	41.907	41.907	0.000	0.000	0.000	0.000
546	B	89	PRO	0	0.014	-0.006	25.495	1.871	1.871	0.000	0.000	0.000	0.000
547	B	90	VAL	0	-0.021	-0.008	25.015	-0.971	-0.971	0.000	0.000	0.000	0.000
548	B	91	PRO	0	-0.024	-0.027	28.040	-0.466	-0.466	0.000	0.000	0.000	0.000
549	B	92	GLY	0	-0.023	-0.006	31.019	-0.004	-0.004	0.000	0.000	0.000	0.000
550	B	93	GLU	-1	-0.885	-0.945	26.372	45.102	45.102	0.000	0.000	0.000	0.000
551	B	94	ASP	-1	-0.935	-0.962	27.776	40.749	40.749	0.000	0.000	0.000	0.000
552	B	95	ASN	0	-0.091	-0.053	20.864	0.397	0.397	0.000	0.000	0.000	0.000
553	B	96	GLN	0	0.063	0.025	21.931	1.845	1.845	0.000	0.000	0.000	0.000
554	B	97	TYR	0	0.002	-0.004	21.648	-2.285	-2.285	0.000	0.000	0.000	0.000
555	B	98	ILE	0	-0.024	0.001	21.657	2.288	2.288	0.000	0.000	0.000	0.000
556	B	99	ALA	0	0.007	0.002	18.478	-0.993	-0.993	0.000	0.000	0.000	0.000
557	B	100	TYR	0	-0.032	-0.018	19.902	1.352	1.352	0.000	0.000	0.000	0.000
558	B	101	VAL	0	-0.005	-0.006	15.356	0.568	0.568	0.000	0.000	0.000	0.000
559	B	102	ALA	0	-0.010	-0.007	18.768	-1.477	-1.477	0.000	0.000	0.000	0.000
560	B	103	TYR	0	-0.034	-0.043	13.149	2.072	2.072	0.000	0.000	0.000	0.000
561	B	104	HYP	0	0.001	0.011	17.426	-3.077	-3.077	0.000	0.000	0.000	0.000
562	B	105	ILE	0	0.062	0.021	18.779	2.135	2.135	0.000	0.000	0.000	0.000
563	B	106	ASP	-1	-0.915	-0.969	18.784	53.476	53.476	0.000	0.000	0.000	0.000
564	B	107	LEU	0	-0.080	-0.036	13.927	1.866	1.866	0.000	0.000	0.000	0.000
565	B	108	PHE	0	-0.028	-0.005	14.664	4.280	4.280	0.000	0.000	0.000	0.000
566	B	109	GLU	-1	-0.825	-0.909	16.185	58.313	58.313	0.000	0.000	0.000	0.000
567	B	110	GLU	-1	-0.795	-0.886	17.864	51.625	51.625	0.000	0.000	0.000	0.000
568	B	111	GLY	0	0.039	0.024	21.261	0.330	0.330	0.000	0.000	0.000	0.000
569	B	112	SER	0	-0.016	-0.003	16.406	0.018	0.018	0.000	0.000	0.000	0.000
570	B	113	VAL	0	0.042	0.014	17.388	2.228	2.228	0.000	0.000	0.000	0.000
571	B	114	THR	0	-0.018	-0.003	13.475	1.920	1.920	0.000	0.000	0.000	0.000
572	B	115	ASN	0	0.010	0.011	12.277	2.133	2.133	0.000	0.000	0.000	0.000
573	B	116	MET	0	-0.014	0.008	12.806	3.556	3.556	0.000	0.000	0.000	0.000
574	B	117	PHE	0	0.014	-0.011	12.628	2.222	2.222	0.000	0.000	0.000	0.000
575	B	118	THR	0	0.009	0.033	7.904	3.487	3.487	0.000	0.000	0.000	0.000
576	B	119	SER	0	0.024	0.013	8.190	12.110	12.110	0.000	0.000	0.000	0.000
577	B	120	ILE	0	-0.055	-0.015	9.759	5.092	5.092	0.000	0.000	0.000	0.000
578	B	121	VAL	0	-0.021	-0.025	10.554	-0.044	-0.044	0.000	0.000	0.000	0.000
579	B	122	GLY	0	0.031	0.037	6.602	2.661	2.661	0.000	0.000	0.000	0.000
582	B	125	PHE	0	0.022	0.009	8.226	-3.038	-3.038	0.000	0.000	0.000	0.000
583	B	126	GLY	0	0.015	0.008	5.737	-6.529	-6.529	0.000	0.000	0.000	0.000
584	B	127	PHE	0	-0.022	-0.006	5.390	4.207	4.207	0.000	0.000	0.000	0.000
585	B	128	LYS	1	0.824	0.907	8.211	-121.087	-121.087	0.000	0.000	0.000	0.000
586	B	129	ALA	0	-0.004	0.008	10.223	-7.621	-7.621	0.000	0.000	0.000	0.000
587	B	130	LEU	0	-0.031	-0.011	11.098	-6.778	-6.778	0.000	0.000	0.000	0.000
588	B	131	ARG	1	0.840	0.909	12.713	-58.490	-58.490	0.000	0.000	0.000	0.000
589	B	132	ALA	0	-0.026	-0.014	14.565	-0.420	-0.420	0.000	0.000	0.000	0.000
590	B	133	LEU	0	-0.020	-0.002	12.517	-0.383	-0.383	0.000	0.000	0.000	0.000
591	B	134	ARG	1	0.871	0.942	15.254	-51.648	-51.648	0.000	0.000	0.000	0.000
592	B	135	LEU	0	-0.029	0.016	15.497	-1.293	-1.293	0.000	0.000	0.000	0.000
593	B	136	GLU	-1	-0.805	-0.907	17.761	48.364	48.364	0.000	0.000	0.000	0.000
594	B	137	ASP	-1	-0.811	-0.915	21.089	44.465	44.465	0.000	0.000	0.000	0.000
595	B	138	LEU	0	0.023	0.001	17.431	2.823	2.823	0.000	0.000	0.000	0.000
596	B	139	ARG	1	0.879	0.963	21.570	-47.705	-47.705	0.000	0.000	0.000	0.000
597	B	140	ILE	0	0.004	-0.012	21.294	1.893	1.893	0.000	0.000	0.000	0.000
598	B	141	PRO	0	0.008	0.023	23.421	-2.060	-2.060	0.000	0.000	0.000	0.000
599	B	142	PRO	0	0.133	0.038	26.481	0.909	0.909	0.000	0.000	0.000	0.000
600	B	143	ALA	0	-0.025	-0.018	27.015	-0.095	-0.095	0.000	0.000	0.000	0.000
601	B	144	TYR	0	0.017	-0.004	18.801	0.468	0.468	0.000	0.000	0.000	0.000
602	B	145	VAL	0	0.021	0.024	24.678	0.407	0.407	0.000	0.000	0.000	0.000
603	B	146	LYS	1	0.939	0.959	26.713	-36.446	-36.446	0.000	0.000	0.000	0.000
604	B	147	THR	0	-0.092	-0.041	23.955	-0.048	-0.048	0.000	0.000	0.000	0.000
605	B	148	PHE	0	0.007	0.000	20.590	0.946	0.946	0.000	0.000	0.000	0.000
606	B	149	VAL	0	-0.033	-0.010	26.294	-1.346	-1.346	0.000	0.000	0.000	0.000
607	B	150	GLY	0	0.021	0.019	27.378	-1.308	-1.308	0.000	0.000	0.000	0.000
608	B	151	HYP	0	-0.048	-0.032	28.626	-0.176	-0.176	0.000	0.000	0.000	0.000
609	B	152	PRO	0	-0.030	0.004	30.421	-0.663	-0.663	0.000	0.000	0.000	0.000
610	B	153	HIS	0	-0.048	-0.025	33.172	-1.524	-1.524	0.000	0.000	0.000	0.000
611	B	154	GLY	0	0.041	0.021	35.007	-0.249	-0.249	0.000	0.000	0.000	0.000
612	B	155	ILE	0	-0.027	-0.020	35.833	-0.907	-0.907	0.000	0.000	0.000	0.000
613	B	156	GLN	0	-0.043	-0.013	38.392	-0.235	-0.235	0.000	0.000	0.000	0.000
614	B	157	VAL	0	0.067	0.036	39.293	-0.622	-0.622	0.000	0.000	0.000	0.000
615	B	158	GLU	-1	-0.807	-0.888	38.005	30.649	30.649	0.000	0.000	0.000	0.000
616	B	159	ARG	1	0.795	0.879	40.688	-28.175	-28.175	0.000	0.000	0.000	0.000
617	B	160	ASP	-1	-0.807	-0.891	43.825	25.879	25.879	0.000	0.000	0.000	0.000
618	B	161	LYS	1	0.808	0.930	40.171	-29.858	-29.858	0.000	0.000	0.000	0.000
619	B	162	LEU	0	-0.036	-0.023	41.380	-0.567	-0.567	0.000	0.000	0.000	0.000
620	B	163	ASN	0	-0.021	-0.008	45.722	-0.454	-0.454	0.000	0.000	0.000	0.000
621	B	164	LYS	1	0.765	0.891	45.114	-26.013	-26.013	0.000	0.000	0.000	0.000
622	B	165	TYR	0	-0.020	-0.046	46.497	0.429	0.429	0.000	0.000	0.000	0.000
623	B	166	GLY	0	0.020	0.015	47.884	-0.405	-0.405	0.000	0.000	0.000	0.000
624	B	167	ARG	1	0.777	0.875	46.495	-25.653	-25.653	0.000	0.000	0.000	0.000
625	B	168	GLY	0	0.062	0.046	43.385	0.411	0.411	0.000	0.000	0.000	0.000
626	B	169	LEU	0	-0.047	-0.023	40.553	-0.601	-0.601	0.000	0.000	0.000	0.000
627	B	170	LEU	0	0.005	0.009	42.070	0.383	0.383	0.000	0.000	0.000	0.000
628	B	171	GLY	0	0.038	-0.003	39.904	-0.124	-0.124	0.000	0.000	0.000	0.000
629	B	172	CYS	0	-0.052	-0.016	39.909	-0.346	-0.346	0.000	0.000	0.000	0.000
630	B	173	THR	0	0.078	0.025	34.580	-0.218	-0.218	0.000	0.000	0.000	0.000
631	B	174	ILE	0	-0.012	-0.010	37.731	-0.698	-0.698	0.000	0.000	0.000	0.000
632	B	175	LYS	1	0.883	0.952	34.682	-31.964	-31.964	0.000	0.000	0.000	0.000
633	B	176	PRO	0	0.046	0.053	38.073	-0.919	-0.919	0.000	0.000	0.000	0.000
634	B	177	LYS	1	0.778	0.906	30.559	-36.283	-36.283	0.000	0.000	0.000	0.000
635	B	178	LEU	0	-0.011	-0.001	30.545	0.104	0.104	0.000	0.000	0.000	0.000
636	B	179	GLY	0	0.062	0.025	35.196	-0.521	-0.521	0.000	0.000	0.000	0.000
637	B	180	LEU	0	-0.054	-0.002	38.224	-0.952	-0.952	0.000	0.000	0.000	0.000
638	B	181	SER	0	0.059	0.023	39.715	0.427	0.427	0.000	0.000	0.000	0.000
639	B	182	ALA	0	0.079	0.029	41.308	-0.084	-0.084	0.000	0.000	0.000	0.000
640	B	183	LYS	1	0.960	0.987	42.208	-23.765	-23.765	0.000	0.000	0.000	0.000
641	B	184	ASN	0	-0.006	-0.023	44.443	-0.843	-0.843	0.000	0.000	0.000	0.000
642	B	185	TYR	0	0.090	0.054	36.855	-0.149	-0.149	0.000	0.000	0.000	0.000
643	B	186	GLY	0	0.053	0.030	42.704	-0.038	-0.038	0.000	0.000	0.000	0.000
644	B	187	ARG	1	0.891	0.938	45.066	-24.102	-24.102	0.000	0.000	0.000	0.000
645	B	188	ALA	0	0.009	-0.001	43.965	-0.378	-0.378	0.000	0.000	0.000	0.000
646	B	189	VAL	0	0.045	0.020	41.956	-0.201	-0.201	0.000	0.000	0.000	0.000
647	B	190	TYR	0	-0.053	-0.053	44.800	-0.266	-0.266	0.000	0.000	0.000	0.000
648	B	191	GLU	-1	-0.902	-0.946	48.397	22.469	22.469	0.000	0.000	0.000	0.000
649	B	192	CYS	0	-0.034	-0.021	43.785	-0.334	-0.334	0.000	0.000	0.000	0.000
650	B	193	LEU	0	0.027	0.020	43.930	-0.293	-0.293	0.000	0.000	0.000	0.000
651	B	194	ARG	1	0.731	0.848	47.660	-22.314	-22.314	0.000	0.000	0.000	0.000
652	B	195	GLY	0	-0.018	-0.002	50.353	-0.423	-0.423	0.000	0.000	0.000	0.000
653	B	196	GLY	0	0.024	0.014	50.240	-0.218	-0.218	0.000	0.000	0.000	0.000
654	B	197	LEU	0	-0.036	-0.005	43.867	0.139	0.139	0.000	0.000	0.000	0.000
655	B	198	ASP	-1	-0.739	-0.829	43.632	25.763	25.763	0.000	0.000	0.000	0.000
656	B	199	PHE	0	0.011	-0.004	39.856	0.064	0.064	0.000	0.000	0.000	0.000
657	B	200	THR	0	-0.027	-0.040	40.543	-0.421	-0.421	0.000	0.000	0.000	0.000
658	B	201	KCX	-1	-0.506	-0.788	32.246	36.102	36.102	0.000	0.000	0.000	0.000
659	B	202	ASP	-1	-0.736	-0.844	33.572	31.763	31.763	0.000	0.000	0.000	0.000
660	B	203	ASP	0	0.217	0.063	32.964	0.365	0.365	0.000	0.000	0.000	0.000
661	B	204	GLU	0	0.173	-0.028	27.329	-0.026	-0.026	0.000	0.000	0.000	0.000
662	B	1476	merge:B:AS	-1	-2.303	-1.623	27.087	35.917	35.917	0.000	0.000	0.000	0.000
663	B	205	ASN	0	0.015	0.001	27.645	-0.035	-0.035	0.000	0.000	0.000	0.000
664	B	206	VAL	0	-0.020	0.008	28.730	-0.206	-0.206	0.000	0.000	0.000	0.000
665	B	207	ASN	0	-0.049	-0.018	27.026	1.465	1.465	0.000	0.000	0.000	0.000
666	B	208	SER	0	0.027	0.001	30.584	-1.855	-1.855	0.000	0.000	0.000	0.000
667	B	209	GLN	0	0.029	0.006	30.313	0.326	0.326	0.000	0.000	0.000	0.000
668	B	210	PRO	0	0.004	0.006	32.918	-1.053	-1.053	0.000	0.000	0.000	0.000
669	B	211	PHE	0	-0.028	-0.001	33.684	-0.995	-0.995	0.000	0.000	0.000	0.000
670	B	212	MET	0	-0.072	-0.026	36.427	-1.197	-1.197	0.000	0.000	0.000	0.000
671	B	213	ARG	1	0.861	0.940	32.936	-32.324	-32.324	0.000	0.000	0.000	0.000
672	B	214	TRP	0	0.040	0.004	33.560	-0.953	-0.953	0.000	0.000	0.000	0.000
673	B	215	ARG	1	0.970	0.989	35.929	-29.151	-29.151	0.000	0.000	0.000	0.000
674	B	216	ASP	-1	-0.880	-0.947	38.742	27.580	27.580	0.000	0.000	0.000	0.000
675	B	217	ARG	1	0.775	0.857	33.461	-33.616	-33.616	0.000	0.000	0.000	0.000
676	B	218	PHE	0	0.012	-0.004	34.156	-0.614	-0.614	0.000	0.000	0.000	0.000
677	B	219	LEU	0	0.006	0.000	40.125	-0.504	-0.504	0.000	0.000	0.000	0.000
678	B	220	PHE	0	-0.005	-0.010	43.594	-0.668	-0.668	0.000	0.000	0.000	0.000
679	B	221	VAL	0	0.007	0.005	40.354	-0.513	-0.513	0.000	0.000	0.000	0.000
680	B	222	ALA	0	0.019	0.016	43.404	-0.358	-0.358	0.000	0.000	0.000	0.000
681	B	223	GLU	-1	-0.996	-0.990	44.898	23.173	23.173	0.000	0.000	0.000	0.000
682	B	224	ALA	0	-0.023	-0.019	45.877	-0.503	-0.503	0.000	0.000	0.000	0.000
683	B	225	ILE	0	0.008	0.004	42.219	-0.355	-0.355	0.000	0.000	0.000	0.000
684	B	226	TYR	0	-0.021	-0.037	45.886	-0.445	-0.445	0.000	0.000	0.000	0.000
685	B	227	LYS	1	0.917	0.978	49.837	-22.525	-22.525	0.000	0.000	0.000	0.000
686	B	228	ALA	0	0.033	0.007	49.106	-0.469	-0.469	0.000	0.000	0.000	0.000
687	B	229	GLN	0	0.024	0.015	48.547	0.206	0.206	0.000	0.000	0.000	0.000
688	B	230	ALA	0	-0.021	-0.003	51.411	-0.352	-0.352	0.000	0.000	0.000	0.000
689	B	231	GLU	-1	-0.842	-0.910	54.444	21.466	21.466	0.000	0.000	0.000	0.000
690	B	232	THR	0	-0.017	-0.018	52.244	-0.273	-0.273	0.000	0.000	0.000	0.000
691	B	233	GLY	0	-0.033	-0.010	54.528	-0.296	-0.296	0.000	0.000	0.000	0.000
692	B	234	GLU	-1	-0.776	-0.866	50.537	23.515	23.515	0.000	0.000	0.000	0.000
693	B	235	VAL	0	0.020	0.004	45.962	0.040	0.040	0.000	0.000	0.000	0.000
694	B	236	LYS	1	0.815	0.909	45.991	-24.457	-24.457	0.000	0.000	0.000	0.000
695	B	237	GLY	0	0.014	-0.006	42.110	0.104	0.104	0.000	0.000	0.000	0.000
696	B	238	HIS	0	-0.032	-0.019	37.521	-0.889	-0.889	0.000	0.000	0.000	0.000
697	B	239	TYR	0	-0.012	-0.015	34.501	-0.178	-0.178	0.000	0.000	0.000	0.000
698	B	240	LEU	0	-0.016	0.003	35.225	0.361	0.361	0.000	0.000	0.000	0.000
699	B	241	ASN	0	0.011	-0.013	29.005	1.235	1.235	0.000	0.000	0.000	0.000
700	B	242	ALA	0	-0.029	-0.011	29.863	-0.511	-0.511	0.000	0.000	0.000	0.000
701	B	243	THR	0	0.009	0.015	24.484	1.146	1.146	0.000	0.000	0.000	0.000
702	B	244	ALA	0	-0.004	-0.009	25.194	-1.322	-1.322	0.000	0.000	0.000	0.000
703	B	245	GLY	0	0.030	0.014	22.975	1.731	1.731	0.000	0.000	0.000	0.000
704	B	246	THR	0	0.026	0.021	22.113	1.525	1.525	0.000	0.000	0.000	0.000
705	B	248	GLU	-1	-0.847	-0.922	25.011	43.397	43.397	0.000	0.000	0.000	0.000
706	B	249	GLU	-1	-0.855	-0.923	27.473	34.934	34.934	0.000	0.000	0.000	0.000
707	B	250	MET	0	-0.016	0.007	25.697	-0.913	-0.913	0.000	0.000	0.000	0.000
708	B	251	MET	0	-0.006	-0.005	27.592	-1.612	-1.612	0.000	0.000	0.000	0.000
709	B	252	LYS	1	0.866	0.928	30.695	-36.369	-36.369	0.000	0.000	0.000	0.000
710	B	253	ARG	1	0.756	0.880	29.561	-38.864	-38.864	0.000	0.000	0.000	0.000
711	B	254	ALA	0	0.046	0.030	31.975	-0.997	-0.997	0.000	0.000	0.000	0.000
712	B	255	VAL	0	-0.010	-0.003	33.887	-0.977	-0.977	0.000	0.000	0.000	0.000
713	B	256	SMC	0	-0.036	-0.006	36.561	-0.992	-0.992	0.000	0.000	0.000	0.000
714	B	257	ALA	0	0.040	0.011	36.783	-0.878	-0.878	0.000	0.000	0.000	0.000
715	B	258	LYS	1	0.905	0.943	38.168	-30.589	-30.589	0.000	0.000	0.000	0.000
716	B	259	GLU	-1	-0.996	-1.005	39.933	28.397	28.397	0.000	0.000	0.000	0.000
717	B	260	LEU	0	-0.048	-0.017	40.806	-0.801	-0.801	0.000	0.000	0.000	0.000
718	B	261	GLY	0	0.025	0.039	42.984	-0.636	-0.636	0.000	0.000	0.000	0.000
719	B	262	VAL	0	-0.031	-0.011	39.743	-0.364	-0.364	0.000	0.000	0.000	0.000
720	B	263	PRO	0	0.021	0.003	41.077	0.452	0.452	0.000	0.000	0.000	0.000
721	B	264	ILE	0	-0.039	-0.009	35.936	0.372	0.372	0.000	0.000	0.000	0.000
722	B	265	ILE	0	-0.021	-0.001	31.927	-0.356	-0.356	0.000	0.000	0.000	0.000
723	B	266	MET	0	-0.045	-0.010	29.830	-0.262	-0.262	0.000	0.000	0.000	0.000
724	B	267	HIS	0	-0.029	-0.033	22.987	0.314	0.314	0.000	0.000	0.000	0.000
725	B	268	ASP	-1	-0.782	-0.905	23.947	41.776	41.776	0.000	0.000	0.000	0.000
726	B	269	TYR	0	-0.027	-0.014	21.494	1.591	1.591	0.000	0.000	0.000	0.000
727	B	270	LEU	0	-0.033	-0.002	17.888	2.226	2.226	0.000	0.000	0.000	0.000
728	B	271	THR	0	-0.026	-0.019	17.811	2.427	2.427	0.000	0.000	0.000	0.000
729	B	272	GLY	0	0.023	0.018	19.207	0.804	0.804	0.000	0.000	0.000	0.000
730	B	273	GLY	0	0.008	-0.007	17.861	2.140	2.140	0.000	0.000	0.000	0.000
731	B	274	PHE	0	0.050	0.002	16.137	-3.273	-3.273	0.000	0.000	0.000	0.000
732	B	275	THR	0	-0.017	0.020	17.315	-1.239	-1.239	0.000	0.000	0.000	0.000
733	B	276	ALA	0	0.049	0.005	19.389	-2.265	-2.265	0.000	0.000	0.000	0.000
734	B	277	ASN	0	0.027	0.019	21.869	-3.090	-3.090	0.000	0.000	0.000	0.000
735	B	278	THR	0	0.012	0.009	21.289	-2.086	-2.086	0.000	0.000	0.000	0.000
736	B	279	SER	0	-0.023	-0.011	23.775	-0.722	-0.722	0.000	0.000	0.000	0.000
737	B	280	LEU	0	0.006	0.002	25.668	-1.878	-1.878	0.000	0.000	0.000	0.000
738	B	281	ALA	0	0.025	0.017	27.189	-1.822	-1.822	0.000	0.000	0.000	0.000
739	B	282	ILE	0	0.008	0.001	26.272	-1.327	-1.327	0.000	0.000	0.000	0.000
740	B	283	TYR	0	0.056	0.027	29.838	-1.662	-1.662	0.000	0.000	0.000	0.000
741	B	284	CYS	0	-0.060	-0.017	31.661	-1.486	-1.486	0.000	0.000	0.000	0.000
742	B	285	ARG	1	0.854	0.912	32.789	-36.202	-36.202	0.000	0.000	0.000	0.000
743	B	286	ASP	-1	-0.932	-0.957	33.241	33.911	33.911	0.000	0.000	0.000	0.000
744	B	287	ASN	0	-0.119	-0.071	35.335	-1.854	-1.854	0.000	0.000	0.000	0.000
745	B	288	GLY	0	-0.024	0.003	37.660	-0.761	-0.761	0.000	0.000	0.000	0.000
746	B	289	LEU	0	-0.040	-0.026	35.471	-0.628	-0.628	0.000	0.000	0.000	0.000
747	B	290	LEU	0	-0.013	-0.005	35.771	0.582	0.582	0.000	0.000	0.000	0.000
748	B	291	LEU	0	0.006	-0.009	28.527	-0.048	-0.048	0.000	0.000	0.000	0.000
749	B	292	HIS	0	0.006	-0.013	31.323	-0.131	-0.131	0.000	0.000	0.000	0.000
750	B	293	ILE	0	0.021	0.010	25.947	0.697	0.697	0.000	0.000	0.000	0.000
751	B	294	HIS	0	0.752	0.649	27.127	0.613	0.613	0.000	0.000	0.000	0.000
752	B	295	ARG	1	0.775	0.855	24.175	-39.597	-39.597	0.000	0.000	0.000	0.000
753	B	296	ALA	0	0.026	0.011	23.381	1.339	1.339	0.000	0.000	0.000	0.000
754	B	297	MET	0	0.010	-0.006	14.984	1.456	1.456	0.000	0.000	0.000	0.000
755	B	298	HIS	1	0.839	0.904	19.460	-43.852	-43.852	0.000	0.000	0.000	0.000
756	B	299	ALA	0	0.014	0.023	20.234	1.441	1.441	0.000	0.000	0.000	0.000
757	B	300	VAL	0	-0.026	-0.003	16.004	0.175	0.175	0.000	0.000	0.000	0.000
758	B	301	ILE	0	-0.035	-0.020	14.995	2.691	2.691	0.000	0.000	0.000	0.000
759	B	302	ASP	-1	-0.802	-0.894	17.266	50.092	50.092	0.000	0.000	0.000	0.000
760	B	303	ARG	1	0.817	0.920	20.482	-43.904	-43.904	0.000	0.000	0.000	0.000
761	B	304	GLN	0	-0.048	-0.035	19.847	-2.179	-2.179	0.000	0.000	0.000	0.000
762	B	305	ARG	1	0.886	0.955	21.085	-42.319	-42.319	0.000	0.000	0.000	0.000
763	B	306	ASN	0	-0.010	-0.018	19.109	-0.419	-0.419	0.000	0.000	0.000	0.000
764	B	307	HIS	0	-0.007	-0.025	11.867	-0.488	-0.488	0.000	0.000	0.000	0.000
765	B	308	GLY	0	0.037	0.036	15.156	-1.914	-1.914	0.000	0.000	0.000	0.000
766	B	309	ILE	0	-0.032	-0.024	13.926	1.709	1.709	0.000	0.000	0.000	0.000
767	B	310	HIS	0	0.053	0.030	17.843	-1.077	-1.077	0.000	0.000	0.000	0.000
768	B	311	PHE	0	0.067	0.027	21.448	0.751	0.751	0.000	0.000	0.000	0.000
769	B	312	ARG	1	0.910	0.938	23.271	-46.126	-46.126	0.000	0.000	0.000	0.000
770	B	313	VAL	0	-0.007	0.005	18.310	-0.619	-0.619	0.000	0.000	0.000	0.000
771	B	314	LEU	0	-0.020	-0.006	17.707	0.526	0.526	0.000	0.000	0.000	0.000
772	B	315	ALA	0	0.012	0.005	21.273	-0.596	-0.596	0.000	0.000	0.000	0.000
773	B	316	LYS	1	0.818	0.900	22.899	-46.710	-46.710	0.000	0.000	0.000	0.000
774	B	317	ALA	0	0.021	0.000	19.713	-0.567	-0.567	0.000	0.000	0.000	0.000
775	B	318	LEU	0	-0.003	0.009	21.579	-0.164	-0.164	0.000	0.000	0.000	0.000
776	B	319	ARG	1	0.786	0.910	24.030	-38.687	-38.687	0.000	0.000	0.000	0.000
777	B	320	MET	0	0.000	-0.005	20.865	-0.830	-0.830	0.000	0.000	0.000	0.000
778	B	321	SER	0	-0.061	-0.033	21.734	-0.718	-0.718	0.000	0.000	0.000	0.000
779	B	322	GLY	0	0.036	0.006	23.717	-0.740	-0.740	0.000	0.000	0.000	0.000
780	B	323	GLY	0	0.025	-0.015	27.161	0.744	0.744	0.000	0.000	0.000	0.000
781	B	324	ASP	-1	-0.724	-0.855	29.555	33.946	33.946	0.000	0.000	0.000	0.000
782	B	325	HIS	1	0.734	0.858	32.359	-33.524	-33.524	0.000	0.000	0.000	0.000
783	B	326	LEU	0	0.036	0.011	26.179	1.136	1.136	0.000	0.000	0.000	0.000
784	B	327	HIS	0	-0.009	0.005	28.765	-1.157	-1.157	0.000	0.000	0.000	0.000
785	B	328	SER	0	0.027	0.002	28.803	1.177	1.177	0.000	0.000	0.000	0.000
786	B	329	GLY	0	0.029	0.020	30.789	0.362	0.362	0.000	0.000	0.000	0.000
787	B	330	THR	0	0.028	0.004	31.831	-0.709	-0.709	0.000	0.000	0.000	0.000
788	B	331	VAL	0	0.006	0.031	34.170	-1.028	-1.028	0.000	0.000	0.000	0.000
789	B	332	VAL	0	-0.005	-0.022	35.613	0.049	0.049	0.000	0.000	0.000	0.000
790	B	333	GLY	0	0.001	0.016	36.526	-0.643	-0.643	0.000	0.000	0.000	0.000
791	B	334	LYS	1	0.782	0.878	33.047	-33.434	-33.434	0.000	0.000	0.000	0.000
792	B	335	LEU	0	-0.018	-0.006	28.731	0.584	0.584	0.000	0.000	0.000	0.000
793	B	336	GLU	-1	-0.793	-0.895	27.937	39.836	39.836	0.000	0.000	0.000	0.000
794	B	337	GLY	0	0.043	0.008	29.661	0.894	0.894	0.000	0.000	0.000	0.000
795	B	338	GLU	-1	-0.854	-0.926	31.002	33.959	33.959	0.000	0.000	0.000	0.000
796	B	339	ARG	1	0.922	0.944	33.050	-29.081	-29.081	0.000	0.000	0.000	0.000
797	B	340	GLU	-1	-0.835	-0.900	34.903	31.952	31.952	0.000	0.000	0.000	0.000
798	B	341	VAL	0	-0.027	-0.010	28.493	0.592	0.592	0.000	0.000	0.000	0.000
799	B	342	THR	0	-0.044	-0.037	31.158	0.799	0.799	0.000	0.000	0.000	0.000
800	B	343	LEU	0	-0.028	-0.019	32.411	0.035	0.035	0.000	0.000	0.000	0.000
801	B	344	GLY	0	0.068	0.052	31.956	-0.225	-0.225	0.000	0.000	0.000	0.000
802	B	345	PHE	0	-0.042	-0.031	28.231	0.536	0.536	0.000	0.000	0.000	0.000
803	B	346	VAL	0	0.001	-0.004	30.122	0.302	0.302	0.000	0.000	0.000	0.000
804	B	347	ASP	-1	-0.850	-0.914	33.071	32.924	32.924	0.000	0.000	0.000	0.000
805	B	348	LEU	0	-0.097	-0.049	27.214	0.469	0.469	0.000	0.000	0.000	0.000
806	B	349	MET	0	-0.083	-0.018	29.236	0.783	0.783	0.000	0.000	0.000	0.000
807	B	350	ARG	1	0.834	0.902	30.957	-31.875	-31.875	0.000	0.000	0.000	0.000
808	B	351	ASP	-1	-0.880	-0.924	34.261	31.867	31.867	0.000	0.000	0.000	0.000
809	B	352	ASP	-1	-0.891	-0.960	33.805	34.696	34.696	0.000	0.000	0.000	0.000
810	B	353	TYR	0	-0.008	-0.002	34.049	1.200	1.200	0.000	0.000	0.000	0.000
811	B	354	VAL	0	0.014	0.012	31.947	-0.597	-0.597	0.000	0.000	0.000	0.000
812	B	355	GLU	-1	-0.916	-0.961	32.590	34.055	34.055	0.000	0.000	0.000	0.000
813	B	356	LYS	1	0.925	0.960	30.322	-38.930	-38.930	0.000	0.000	0.000	0.000
814	B	357	ASP	-1	-0.796	-0.901	32.037	32.964	32.964	0.000	0.000	0.000	0.000
815	B	358	ARG	1	0.882	0.938	28.267	-41.898	-41.898	0.000	0.000	0.000	0.000
816	B	359	SER	0	-0.092	-0.036	32.042	0.532	0.532	0.000	0.000	0.000	0.000
817	B	360	ARG	1	0.959	0.961	33.225	-32.609	-32.609	0.000	0.000	0.000	0.000
818	B	361	GLY	0	-0.048	-0.032	29.181	0.777	0.777	0.000	0.000	0.000	0.000
819	B	362	ILE	0	-0.018	0.012	27.724	2.022	2.022	0.000	0.000	0.000	0.000
820	B	363	TYR	0	-0.056	-0.047	25.559	-0.931	-0.931	0.000	0.000	0.000	0.000
821	B	364	PHE	0	-0.061	-0.034	22.664	-0.208	-0.208	0.000	0.000	0.000	0.000
822	B	365	THR	0	0.048	0.030	28.161	-0.296	-0.296	0.000	0.000	0.000	0.000
823	B	366	GLN	0	-0.052	-0.020	26.369	2.972	2.972	0.000	0.000	0.000	0.000
824	B	367	ASP	-1	-0.848	-0.921	29.787	34.717	34.717	0.000	0.000	0.000	0.000
825	B	368	TRP	0	-0.025	-0.029	25.680	2.113	2.113	0.000	0.000	0.000	0.000
826	B	369	SMC	0	-0.045	-0.014	31.261	0.216	0.216	0.000	0.000	0.000	0.000
827	B	370	SER	0	-0.038	-0.029	33.501	-0.296	-0.296	0.000	0.000	0.000	0.000
828	B	371	MET	0	-0.059	0.001	27.460	0.029	0.029	0.000	0.000	0.000	0.000
829	B	372	PRO	0	0.018	0.012	32.529	-0.265	-0.265	0.000	0.000	0.000	0.000
830	B	373	GLY	0	0.049	0.031	32.478	1.163	1.163	0.000	0.000	0.000	0.000
831	B	374	VAL	0	-0.020	-0.018	29.409	-0.572	-0.572	0.000	0.000	0.000	0.000
832	B	375	MET	0	-0.007	-0.003	32.792	-0.475	-0.475	0.000	0.000	0.000	0.000
833	B	376	PRO	0	-0.001	0.001	33.078	0.820	0.820	0.000	0.000	0.000	0.000
834	B	377	VAL	0	-0.021	-0.010	32.991	-1.171	-1.171	0.000	0.000	0.000	0.000
835	B	378	ALA	0	0.039	0.029	33.358	0.960	0.960	0.000	0.000	0.000	0.000
836	B	379	SER	0	0.002	-0.030	33.613	-1.283	-1.283	0.000	0.000	0.000	0.000
837	B	380	GLY	0	0.078	0.032	33.680	0.867	0.867	0.000	0.000	0.000	0.000
838	B	381	GLY	0	-0.036	-0.031	34.939	0.051	0.051	0.000	0.000	0.000	0.000
839	B	382	ILE	0	-0.060	-0.014	37.805	-0.367	-0.367	0.000	0.000	0.000	0.000
840	B	383	HIS	0	0.018	-0.019	40.373	-0.554	-0.554	0.000	0.000	0.000	0.000
841	B	384	VAL	0	0.057	0.018	44.097	0.052	0.052	0.000	0.000	0.000	0.000
842	B	385	TRP	0	-0.074	-0.036	47.036	-0.299	-0.299	0.000	0.000	0.000	0.000
843	B	386	HIS	0	0.039	0.025	41.723	-0.087	-0.087	0.000	0.000	0.000	0.000
844	B	387	MET	0	-0.036	0.010	44.053	0.554	0.554	0.000	0.000	0.000	0.000
845	B	388	PRO	0	0.026	0.008	45.452	0.223	0.223	0.000	0.000	0.000	0.000
846	B	389	ALA	0	0.025	0.016	42.816	0.126	0.126	0.000	0.000	0.000	0.000
847	B	390	LEU	0	-0.005	-0.001	39.216	0.542	0.542	0.000	0.000	0.000	0.000
848	B	391	VAL	0	0.003	-0.007	41.918	0.399	0.399	0.000	0.000	0.000	0.000
849	B	392	GLU	-1	-0.917	-0.952	43.959	27.976	27.976	0.000	0.000	0.000	0.000
850	B	393	ILE	0	-0.046	-0.013	37.867	0.265	0.265	0.000	0.000	0.000	0.000
851	B	394	PHE	0	-0.013	-0.007	35.076	0.503	0.503	0.000	0.000	0.000	0.000
852	B	395	GLY	0	0.027	0.033	40.131	0.193	0.193	0.000	0.000	0.000	0.000
853	B	396	ASP	-1	-0.837	-0.929	42.895	26.052	26.052	0.000	0.000	0.000	0.000
854	B	397	ASP	-1	-0.885	-0.929	39.656	28.824	28.824	0.000	0.000	0.000	0.000
855	B	398	ALA	0	0.045	0.015	38.120	1.011	1.011	0.000	0.000	0.000	0.000
856	B	399	CYS	0	-0.069	-0.021	37.317	-1.005	-1.005	0.000	0.000	0.000	0.000
857	B	400	LEU	0	0.012	0.008	37.755	0.718	0.718	0.000	0.000	0.000	0.000
858	B	401	GLN	0	0.042	0.005	34.462	-0.712	-0.712	0.000	0.000	0.000	0.000
859	B	402	PHE	0	0.021	0.001	38.813	0.309	0.309	0.000	0.000	0.000	0.000
860	B	403	GLY	0	0.060	0.027	38.754	-0.544	-0.544	0.000	0.000	0.000	0.000
861	B	404	GLY	0	0.032	0.003	39.398	-0.833	-0.833	0.000	0.000	0.000	0.000
862	B	405	GLY	0	-0.030	-0.017	41.287	-0.715	-0.715	0.000	0.000	0.000	0.000
863	B	406	THR	0	-0.042	-0.032	43.245	-0.859	-0.859	0.000	0.000	0.000	0.000
864	B	407	LEU	0	-0.032	-0.031	41.520	-0.673	-0.673	0.000	0.000	0.000	0.000
865	B	408	GLY	0	0.026	0.011	44.932	-0.241	-0.241	0.000	0.000	0.000	0.000
866	B	409	HIS	0	-0.033	-0.004	45.945	-0.294	-0.294	0.000	0.000	0.000	0.000
867	B	410	PRO	0	-0.003	-0.012	49.229	-0.072	-0.072	0.000	0.000	0.000	0.000
868	B	411	TRP	0	-0.026	-0.028	52.200	-0.314	-0.314	0.000	0.000	0.000	0.000
869	B	412	GLY	0	0.035	0.034	50.344	-0.252	-0.252	0.000	0.000	0.000	0.000
870	B	413	ASN	0	0.027	-0.002	45.922	-0.034	-0.034	0.000	0.000	0.000	0.000
871	B	414	ALA	0	0.032	0.037	48.964	0.139	0.139	0.000	0.000	0.000	0.000
872	B	415	PRO	0	0.005	-0.016	51.595	-0.027	-0.027	0.000	0.000	0.000	0.000
873	B	416	GLY	0	0.032	0.021	48.790	0.024	0.024	0.000	0.000	0.000	0.000
874	B	417	ALA	0	-0.025	-0.007	47.696	0.246	0.246	0.000	0.000	0.000	0.000
875	B	418	ALA	0	0.031	0.024	48.672	0.094	0.094	0.000	0.000	0.000	0.000
876	B	419	ALA	0	-0.045	-0.014	50.430	-0.075	-0.075	0.000	0.000	0.000	0.000
877	B	420	ASN	0	0.024	-0.001	45.668	0.003	0.003	0.000	0.000	0.000	0.000
878	B	421	ARG	1	0.765	0.875	48.270	-23.741	-23.741	0.000	0.000	0.000	0.000
879	B	422	VAL	0	0.000	-0.007	49.823	-0.106	-0.106	0.000	0.000	0.000	0.000
880	B	423	ALA	0	-0.016	-0.004	49.145	-0.145	-0.145	0.000	0.000	0.000	0.000
881	B	424	LEU	0	0.046	0.009	45.564	-0.031	-0.031	0.000	0.000	0.000	0.000
882	B	425	GLU	-1	-0.765	-0.885	48.854	22.903	22.903	0.000	0.000	0.000	0.000
883	B	426	ALA	0	-0.002	-0.004	51.980	-0.267	-0.267	0.000	0.000	0.000	0.000
884	B	427	CYS	0	-0.045	-0.020	49.332	-0.156	-0.156	0.000	0.000	0.000	0.000
885	B	428	THR	0	-0.010	0.004	49.358	0.174	0.174	0.000	0.000	0.000	0.000
886	B	429	GLN	0	0.018	0.005	51.089	-0.369	-0.369	0.000	0.000	0.000	0.000
887	B	430	ALA	0	-0.025	-0.012	53.622	-0.176	-0.176	0.000	0.000	0.000	0.000
888	B	431	ARG	1	0.831	0.905	47.223	-25.269	-25.269	0.000	0.000	0.000	0.000
889	B	432	ASN	0	-0.019	-0.016	52.279	0.383	0.383	0.000	0.000	0.000	0.000
890	B	433	GLU	-1	-0.960	-0.993	54.486	20.620	20.620	0.000	0.000	0.000	0.000
891	B	434	GLY	0	-0.014	0.006	55.499	-0.350	-0.350	0.000	0.000	0.000	0.000
892	B	435	ARG	1	0.835	0.921	55.018	-21.419	-21.419	0.000	0.000	0.000	0.000
893	B	436	ASP	-1	-0.822	-0.917	50.719	24.780	24.780	0.000	0.000	0.000	0.000
894	B	437	LEU	0	-0.025	-0.017	48.356	-0.140	-0.140	0.000	0.000	0.000	0.000
895	B	438	ALA	0	0.016	0.012	47.430	0.070	0.070	0.000	0.000	0.000	0.000
896	B	439	ARG	1	0.897	0.952	48.786	-23.765	-23.765	0.000	0.000	0.000	0.000
897	B	440	GLU	-1	-0.827	-0.921	52.278	21.539	21.539	0.000	0.000	0.000	0.000
898	B	441	GLY	0	0.053	0.028	50.500	-0.253	-0.253	0.000	0.000	0.000	0.000
899	B	442	GLY	0	-0.028	-0.028	51.555	-0.101	-0.101	0.000	0.000	0.000	0.000
900	B	443	ASP	-1	-0.869	-0.937	52.854	21.135	21.135	0.000	0.000	0.000	0.000
901	B	444	VAL	0	-0.055	-0.013	53.233	-0.390	-0.390	0.000	0.000	0.000	0.000
902	B	445	ILE	0	0.024	0.007	50.096	-0.267	-0.267	0.000	0.000	0.000	0.000
903	B	446	ARG	1	0.934	0.957	53.744	-22.302	-22.302	0.000	0.000	0.000	0.000
904	B	447	SER	0	-0.033	-0.015	56.758	-0.476	-0.476	0.000	0.000	0.000	0.000
905	B	448	ALA	0	0.020	0.011	55.214	-0.338	-0.338	0.000	0.000	0.000	0.000
906	B	449	CYS	0	-0.130	-0.069	50.550	0.136	0.136	0.000	0.000	0.000	0.000
907	B	450	LYS	1	0.915	0.961	57.425	-19.116	-19.116	0.000	0.000	0.000	0.000
908	B	451	TRP	0	-0.049	-0.021	57.750	-0.265	-0.265	0.000	0.000	0.000	0.000
909	B	452	SER	0	0.004	0.023	56.797	-0.060	-0.060	0.000	0.000	0.000	0.000
910	B	453	PRO	0	0.040	0.003	57.870	0.232	0.232	0.000	0.000	0.000	0.000
911	B	454	GLU	-1	-0.814	-0.916	54.249	21.128	21.128	0.000	0.000	0.000	0.000
912	B	455	LEU	0	0.041	0.018	51.695	0.436	0.436	0.000	0.000	0.000	0.000
913	B	456	ALA	0	0.017	0.010	53.612	0.308	0.308	0.000	0.000	0.000	0.000
914	B	457	ALA	0	-0.032	-0.012	54.729	0.147	0.147	0.000	0.000	0.000	0.000
915	B	458	ALA	0	-0.005	-0.002	49.670	0.239	0.239	0.000	0.000	0.000	0.000
916	B	460	GLU	-1	-0.892	-0.949	52.056	21.837	21.837	0.000	0.000	0.000	0.000
917	B	461	VAL	0	-0.054	-0.011	48.448	0.127	0.127	0.000	0.000	0.000	0.000
918	B	462	TRP	0	-0.016	-0.026	45.372	0.227	0.227	0.000	0.000	0.000	0.000
919	B	463	LYS	1	0.926	0.981	47.704	-21.561	-21.561	0.000	0.000	0.000	0.000
920	B	464	GLU	-1	-0.902	-0.964	48.331	23.644	23.644	0.000	0.000	0.000	0.000
921	B	465	ILE	0	-0.101	-0.022	42.732	0.417	0.417	0.000	0.000	0.000	0.000
922	B	466	LYS	1	0.978	0.983	42.696	-25.821	-25.821	0.000	0.000	0.000	0.000
923	B	467	PHE	0	-0.017	-0.005	37.107	0.270	0.270	0.000	0.000	0.000	0.000
924	B	468	GLU	-1	-0.940	-0.971	38.365	28.463	28.463	0.000	0.000	0.000	0.000
925	B	469	PHE	0	0.018	-0.002	34.537	-0.125	-0.125	0.000	0.000	0.000	0.000
926	B	470	ASP	-1	-0.876	-0.942	32.646	35.870	35.870	0.000	0.000	0.000	0.000
927	B	471	THR	0	-0.033	-0.010	30.551	0.425	0.425	0.000	0.000	0.000	0.000
928	B	472	ILE	0	-0.026	-0.026	25.469	-0.136	-0.136	0.000	0.000	0.000	0.000
929	B	473	ASP	-1	-0.864	-0.917	25.725	46.129	46.129	0.000	0.000	0.000	0.000
930	B	474	LYS	1	0.886	0.951	27.152	-37.491	-37.491	0.000	0.000	0.000	0.000
931	B	475	LEU	0	0.020	0.012	27.934	1.473	1.473	0.000	0.000	0.000	0.000
932	C	1	MET	0	0.009	0.009	55.681	0.114	0.114	0.000	0.000	0.000	0.000
933	C	2	MET	0	-0.065	-0.035	58.514	-0.420	-0.420	0.000	0.000	0.000	0.000
934	C	3	VAL	0	0.008	0.004	57.804	0.403	0.403	0.000	0.000	0.000	0.000
935	C	4	TRP	0	0.080	0.042	55.591	-0.411	-0.411	0.000	0.000	0.000	0.000
936	C	5	THR	0	-0.012	-0.015	57.777	0.135	0.135	0.000	0.000	0.000	0.000
937	C	6	PRO	0	0.026	0.018	57.828	0.177	0.177	0.000	0.000	0.000	0.000
938	C	7	VAL	0	0.007	0.010	59.103	0.030	0.030	0.000	0.000	0.000	0.000
939	C	8	ASN	0	-0.021	0.003	62.389	-0.121	-0.121	0.000	0.000	0.000	0.000
940	C	9	ASN	0	0.009	-0.032	58.770	-0.366	-0.366	0.000	0.000	0.000	0.000
941	C	10	LYS	1	0.883	0.957	57.898	-20.503	-20.503	0.000	0.000	0.000	0.000
942	C	11	MET	0	-0.061	-0.018	54.909	-0.348	-0.348	0.000	0.000	0.000	0.000
943	C	12	PHE	0	-0.034	-0.046	56.192	-0.165	-0.165	0.000	0.000	0.000	0.000
944	C	13	GLU	-1	-0.757	-0.857	50.050	24.507	24.507	0.000	0.000	0.000	0.000
945	C	14	THR	0	-0.025	-0.002	51.231	-0.175	-0.175	0.000	0.000	0.000	0.000
946	C	15	PHE	0	0.009	0.003	53.131	-0.375	-0.375	0.000	0.000	0.000	0.000
947	C	16	SER	0	-0.077	-0.037	55.458	-0.415	-0.415	0.000	0.000	0.000	0.000
948	C	17	TYR	0	-0.009	-0.020	53.112	-0.304	-0.304	0.000	0.000	0.000	0.000
949	C	18	LEU	0	-0.030	-0.009	55.323	-0.102	-0.102	0.000	0.000	0.000	0.000
950	C	19	PRO	0	-0.048	-0.036	58.378	-0.218	-0.218	0.000	0.000	0.000	0.000
951	C	20	PRO	0	-0.039	-0.025	61.716	0.152	0.152	0.000	0.000	0.000	0.000
952	C	21	LEU	0	0.026	0.025	59.423	-0.148	-0.148	0.000	0.000	0.000	0.000
953	C	22	THR	0	-0.018	-0.009	63.553	-0.326	-0.326	0.000	0.000	0.000	0.000
954	C	23	ASP	-1	-0.881	-0.956	65.696	18.089	18.089	0.000	0.000	0.000	0.000
955	C	24	GLU	-1	-0.969	-0.982	66.023	18.590	18.590	0.000	0.000	0.000	0.000
956	C	25	GLN	0	0.059	0.034	62.035	0.025	0.025	0.000	0.000	0.000	0.000
957	C	26	ILE	0	0.006	-0.002	61.879	0.377	0.377	0.000	0.000	0.000	0.000
958	C	27	ALA	0	-0.031	-0.021	62.390	0.247	0.247	0.000	0.000	0.000	0.000
959	C	28	ALA	0	0.074	0.048	60.845	0.166	0.166	0.000	0.000	0.000	0.000
960	C	29	GLN	0	0.008	0.008	56.280	0.754	0.754	0.000	0.000	0.000	0.000
961	C	30	VAL	0	-0.034	-0.022	58.163	0.319	0.319	0.000	0.000	0.000	0.000
962	C	31	ASP	-1	-0.892	-0.949	59.803	19.937	19.937	0.000	0.000	0.000	0.000
963	C	32	TYR	0	0.008	0.008	50.148	0.278	0.278	0.000	0.000	0.000	0.000
964	C	33	ILE	0	-0.001	-0.004	55.333	0.371	0.371	0.000	0.000	0.000	0.000
965	C	34	VAL	0	-0.042	-0.024	55.952	0.218	0.218	0.000	0.000	0.000	0.000
966	C	35	ALA	0	-0.060	-0.035	56.356	0.090	0.090	0.000	0.000	0.000	0.000
967	C	36	ASN	0	-0.050	-0.025	51.351	0.600	0.600	0.000	0.000	0.000	0.000
968	C	37	GLY	0	-0.059	-0.007	52.395	0.358	0.358	0.000	0.000	0.000	0.000
969	C	38	TRP	0	-0.009	0.000	48.957	-0.049	-0.049	0.000	0.000	0.000	0.000
970	C	39	ILE	0	-0.032	-0.028	53.138	-0.508	-0.508	0.000	0.000	0.000	0.000
971	C	40	PRO	0	0.035	0.037	55.855	0.200	0.200	0.000	0.000	0.000	0.000
972	C	41	CYS	0	-0.016	-0.012	57.555	-0.229	-0.229	0.000	0.000	0.000	0.000
973	C	42	LEU	0	-0.001	0.021	59.282	0.058	0.058	0.000	0.000	0.000	0.000
974	C	43	GLU	-1	-0.835	-0.911	56.279	22.027	22.027	0.000	0.000	0.000	0.000
975	C	44	PHE	0	-0.012	-0.022	60.733	-0.139	-0.139	0.000	0.000	0.000	0.000
976	C	45	ALA	0	0.012	0.000	61.196	0.137	0.137	0.000	0.000	0.000	0.000
977	C	46	THR	0	-0.011	-0.021	63.290	-0.141	-0.141	0.000	0.000	0.000	0.000
978	C	47	ASP	-1	-0.893	-0.925	64.021	18.581	18.581	0.000	0.000	0.000	0.000
979	C	48	HIS	0	-0.012	-0.020	60.233	0.029	0.029	0.000	0.000	0.000	0.000
980	C	49	GLY	0	-0.010	0.006	60.623	0.174	0.174	0.000	0.000	0.000	0.000
981	C	50	PHE	0	-0.040	-0.034	56.591	0.158	0.158	0.000	0.000	0.000	0.000
982	C	51	VAL	0	0.029	0.023	50.995	-0.090	-0.090	0.000	0.000	0.000	0.000
983	C	52	TYR	0	-0.062	-0.032	54.324	-0.129	-0.129	0.000	0.000	0.000	0.000
984	C	53	ARG	1	0.818	0.903	45.762	-25.216	-25.216	0.000	0.000	0.000	0.000
985	C	54	GLU	-1	-0.954	-0.963	53.803	20.316	20.316	0.000	0.000	0.000	0.000
986	C	55	HIS	1	0.854	0.915	54.828	-21.475	-21.475	0.000	0.000	0.000	0.000
987	C	56	HIS	0	0.007	-0.001	46.965	0.282	0.282	0.000	0.000	0.000	0.000
988	C	57	ASN	0	0.015	-0.014	48.583	0.050	0.050	0.000	0.000	0.000	0.000
989	C	58	SER	0	-0.019	0.030	43.977	0.407	0.407	0.000	0.000	0.000	0.000
990	C	59	PRO	0	0.061	0.021	40.458	-0.523	-0.523	0.000	0.000	0.000	0.000
991	C	60	GLY	0	0.006	0.008	42.932	0.169	0.169	0.000	0.000	0.000	0.000
992	C	61	TYR	0	-0.102	-0.049	43.954	-0.192	-0.192	0.000	0.000	0.000	0.000
993	C	62	TYR	0	0.033	-0.011	45.814	0.079	0.079	0.000	0.000	0.000	0.000
994	C	63	ASP	-1	-0.764	-0.846	50.476	22.660	22.660	0.000	0.000	0.000	0.000
995	C	64	GLY	0	0.058	0.009	54.053	0.063	0.063	0.000	0.000	0.000	0.000
996	C	65	ARG	1	0.857	0.937	46.631	-25.328	-25.328	0.000	0.000	0.000	0.000
997	C	66	TYR	0	0.002	0.010	50.868	-0.008	-0.008	0.000	0.000	0.000	0.000
998	C	67	TRP	0	-0.036	-0.019	55.445	-0.360	-0.360	0.000	0.000	0.000	0.000
999	C	68	THR	0	-0.006	0.000	58.731	0.276	0.276	0.000	0.000	0.000	0.000
1000	C	69	MET	0	0.043	0.036	57.444	-0.073	-0.073	0.000	0.000	0.000	0.000
1001	C	70	TRP	0	-0.050	-0.034	61.282	-0.453	-0.453	0.000	0.000	0.000	0.000
1002	C	71	LYS	1	0.802	0.902	63.626	-17.983	-17.983	0.000	0.000	0.000	0.000
1003	C	72	LEU	0	0.026	0.002	60.635	0.181	0.181	0.000	0.000	0.000	0.000
1004	C	73	PRO	0	0.023	0.007	57.179	-0.176	-0.176	0.000	0.000	0.000	0.000
1005	C	74	MET	0	-0.019	-0.009	59.544	-0.173	-0.173	0.000	0.000	0.000	0.000
1006	C	75	PHE	0	0.037	0.002	55.415	0.180	0.180	0.000	0.000	0.000	0.000
1007	C	76	GLY	0	-0.011	-0.003	58.680	-0.327	-0.327	0.000	0.000	0.000	0.000
1008	C	77	CYS	0	-0.084	-0.013	60.307	-0.212	-0.212	0.000	0.000	0.000	0.000
1009	C	78	ARG	1	0.995	0.987	57.959	-20.688	-20.688	0.000	0.000	0.000	0.000
1010	C	79	ASP	-1	-0.895	-0.959	62.136	18.326	18.326	0.000	0.000	0.000	0.000
1011	C	80	PRO	0	0.133	0.052	63.647	-0.078	-0.078	0.000	0.000	0.000	0.000
1012	C	81	MET	0	0.002	0.001	64.875	-0.094	-0.094	0.000	0.000	0.000	0.000
1013	C	82	GLN	0	-0.054	-0.039	66.449	0.002	0.002	0.000	0.000	0.000	0.000
1014	C	83	VAL	0	0.053	0.033	62.080	-0.111	-0.111	0.000	0.000	0.000	0.000
1015	C	84	LEU	0	0.037	0.015	65.184	-0.094	-0.094	0.000	0.000	0.000	0.000
1016	C	85	ARG	1	0.938	0.964	67.394	-17.738	-17.738	0.000	0.000	0.000	0.000
1017	C	86	GLU	-1	-0.809	-0.897	66.115	18.022	18.022	0.000	0.000	0.000	0.000
1018	C	87	ILE	0	0.038	0.029	63.750	-0.043	-0.043	0.000	0.000	0.000	0.000
1019	C	88	VAL	0	-0.003	0.014	67.204	-0.141	-0.141	0.000	0.000	0.000	0.000
1020	C	89	ALA	0	-0.049	-0.029	70.335	-0.208	-0.208	0.000	0.000	0.000	0.000
1021	C	90	CYS	0	-0.014	-0.004	66.590	-0.102	-0.102	0.000	0.000	0.000	0.000
1022	C	91	THR	0	0.013	-0.014	67.947	-0.171	-0.171	0.000	0.000	0.000	0.000
1023	C	92	LYS	1	0.904	0.965	70.120	-16.480	-16.480	0.000	0.000	0.000	0.000
1024	C	93	ALA	0	-0.065	-0.033	71.373	-0.232	-0.232	0.000	0.000	0.000	0.000
1025	C	94	PHE	0	-0.013	-0.006	69.108	-0.105	-0.105	0.000	0.000	0.000	0.000
1026	C	95	PRO	0	0.025	0.018	70.123	0.240	0.240	0.000	0.000	0.000	0.000
1027	C	96	ASP	-1	-0.949	-0.990	71.187	17.153	17.153	0.000	0.000	0.000	0.000
1028	C	97	ALA	0	-0.032	0.002	66.320	0.136	0.136	0.000	0.000	0.000	0.000
1029	C	98	TYR	0	0.010	-0.002	62.328	-0.020	-0.020	0.000	0.000	0.000	0.000
1030	C	99	VAL	0	0.006	0.003	63.255	0.050	0.050	0.000	0.000	0.000	0.000
1031	C	100	ARG	1	0.825	0.912	55.490	-21.938	-21.938	0.000	0.000	0.000	0.000
1032	C	101	LEU	0	0.003	0.020	58.907	-0.147	-0.147	0.000	0.000	0.000	0.000
1033	C	102	VAL	0	0.019	0.008	54.469	0.264	0.264	0.000	0.000	0.000	0.000
1034	C	103	ALA	0	0.017	0.001	53.800	-0.364	-0.364	0.000	0.000	0.000	0.000
1035	C	104	PHE	0	-0.012	-0.017	50.965	0.419	0.419	0.000	0.000	0.000	0.000
1036	C	105	ASP	-1	-0.787	-0.893	46.719	25.776	25.776	0.000	0.000	0.000	0.000
1037	C	106	ASN	0	-0.022	-0.037	48.257	0.373	0.373	0.000	0.000	0.000	0.000
1038	C	107	GLN	0	-0.042	-0.002	44.878	0.744	0.744	0.000	0.000	0.000	0.000
1039	C	108	LYS	1	0.927	0.967	41.744	-27.651	-27.651	0.000	0.000	0.000	0.000
1040	C	109	GLN	0	-0.069	-0.025	43.608	-0.129	-0.129	0.000	0.000	0.000	0.000
1041	C	110	VAL	0	0.048	0.026	44.422	0.319	0.319	0.000	0.000	0.000	0.000
1042	C	111	GLN	0	-0.023	-0.011	46.792	-0.561	-0.561	0.000	0.000	0.000	0.000
1043	C	112	ILE	0	-0.020	-0.012	46.388	0.552	0.552	0.000	0.000	0.000	0.000
1044	C	113	MET	0	-0.015	-0.015	49.159	-0.083	-0.083	0.000	0.000	0.000	0.000
1045	C	114	GLY	0	0.051	0.021	51.946	-0.150	-0.150	0.000	0.000	0.000	0.000
1046	C	115	PHE	0	-0.004	0.009	54.547	0.143	0.143	0.000	0.000	0.000	0.000
1047	C	116	LEU	0	-0.029	-0.018	57.197	-0.264	-0.264	0.000	0.000	0.000	0.000
1048	C	117	VAL	0	-0.007	-0.011	60.247	-0.079	-0.079	0.000	0.000	0.000	0.000
1049	C	118	GLN	0	-0.045	-0.021	63.649	-0.487	-0.487	0.000	0.000	0.000	0.000
1050	C	119	ARG	1	0.896	0.977	61.807	-19.276	-19.276	0.000	0.000	0.000	0.000
1051	C	120	PRO	0	0.048	0.030	65.768	-0.257	-0.257	0.000	0.000	0.000	0.000
1052	C	121	LYS	1	0.945	0.968	68.853	-16.797	-16.797	0.000	0.000	0.000	0.000
1053	C	122	THR	0	-0.006	-0.012	71.622	0.072	0.072	0.000	0.000	0.000	0.000
1054	C	123	ALA	0	0.039	0.031	69.409	-0.014	-0.014	0.000	0.000	0.000	0.000
1055	C	124	ARG	1	0.887	0.939	62.368	-19.013	-19.013	0.000	0.000	0.000	0.000
1056	C	125	ASP	-1	-0.890	-0.926	66.987	18.411	18.411	0.000	0.000	0.000	0.000
1057	C	126	PHE	0	-0.028	-0.043	60.319	0.302	0.302	0.000	0.000	0.000	0.000
1058	C	127	GLN	0	-0.018	-0.007	62.449	-0.486	-0.486	0.000	0.000	0.000	0.000
1059	C	128	PRO	0	-0.008	-0.011	63.416	0.191	0.191	0.000	0.000	0.000	0.000
1060	C	129	ALA	0	0.037	0.006	62.018	0.141	0.141	0.000	0.000	0.000	0.000
1061	C	130	ASN	0	-0.002	0.007	61.864	0.225	0.225	0.000	0.000	0.000	0.000
1062	C	131	LYS	1	0.922	0.966	64.214	-17.783	-17.783	0.000	0.000	0.000	0.000
1063	C	132	ARG	1	0.919	0.990	58.866	-20.577	-20.577	0.000	0.000	0.000	0.000
1064	C	133	SER	0	-0.006	0.003	59.431	0.187	0.187	0.000	0.000	0.000	0.000
1065	C	134	VAL	0	-0.049	-0.008	61.280	-0.389	-0.389	0.000	0.000	0.000	0.000
1066	I	1	MET	0	0.014	0.010	19.056	0.664	0.664	0.000	0.000	0.000	0.000
1067	I	2	MET	0	-0.077	-0.036	20.824	-2.476	-2.476	0.000	0.000	0.000	0.000
1068	I	3	VAL	0	0.016	0.004	20.599	2.287	2.287	0.000	0.000	0.000	0.000
1069	I	4	TRP	0	0.071	0.039	19.548	-1.825	-1.825	0.000	0.000	0.000	0.000
1070	I	5	THR	0	-0.009	-0.010	21.643	-0.126	-0.126	0.000	0.000	0.000	0.000
1071	I	6	PRO	0	0.038	0.025	24.078	0.777	0.777	0.000	0.000	0.000	0.000
1072	I	7	VAL	0	-0.018	-0.020	25.147	-1.121	-1.121	0.000	0.000	0.000	0.000
1073	I	8	ASN	0	-0.032	-0.039	28.139	0.825	0.825	0.000	0.000	0.000	0.000
1074	I	9	ASN	0	0.052	0.019	23.587	-1.666	-1.666	0.000	0.000	0.000	0.000
1075	I	10	LYS	1	0.914	0.983	24.714	-40.448	-40.448	0.000	0.000	0.000	0.000
1076	I	11	MET	0	-0.067	-0.016	21.605	-1.006	-1.006	0.000	0.000	0.000	0.000
1077	I	12	PHE	0	-0.033	-0.043	24.568	-1.175	-1.175	0.000	0.000	0.000	0.000
1078	I	13	GLU	-1	-0.770	-0.870	20.705	56.495	56.495	0.000	0.000	0.000	0.000
1079	I	14	THR	0	-0.032	-0.019	21.234	1.113	1.113	0.000	0.000	0.000	0.000
1080	I	15	PHE	0	0.008	0.002	21.779	-2.189	-2.189	0.000	0.000	0.000	0.000
1081	I	16	SER	0	-0.077	-0.019	23.098	-1.244	-1.244	0.000	0.000	0.000	0.000
1082	I	17	TYR	0	0.013	-0.015	18.814	-0.436	-0.436	0.000	0.000	0.000	0.000
1083	I	18	LEU	0	-0.024	-0.003	21.091	0.622	0.622	0.000	0.000	0.000	0.000
1084	I	19	PRO	0	-0.054	-0.044	23.814	-1.128	-1.128	0.000	0.000	0.000	0.000
1085	I	20	PRO	0	-0.040	-0.025	27.393	0.343	0.343	0.000	0.000	0.000	0.000
1086	I	21	LEU	0	0.027	0.029	27.266	-0.377	-0.377	0.000	0.000	0.000	0.000
1087	I	22	THR	0	-0.019	-0.008	30.943	-1.374	-1.374	0.000	0.000	0.000	0.000
1088	I	23	ASP	-1	-0.874	-0.954	34.125	32.213	32.213	0.000	0.000	0.000	0.000
1089	I	24	GLU	-1	-0.980	-0.986	35.238	33.705	33.705	0.000	0.000	0.000	0.000
1090	I	25	GLN	0	0.061	0.030	29.175	-0.279	-0.279	0.000	0.000	0.000	0.000
1091	I	26	ILE	0	0.007	0.001	31.786	0.909	0.909	0.000	0.000	0.000	0.000
1092	I	27	ALA	0	-0.035	-0.024	33.399	0.240	0.240	0.000	0.000	0.000	0.000
1093	I	28	ALA	0	0.079	0.055	31.835	-0.030	-0.030	0.000	0.000	0.000	0.000
1094	I	29	GLN	0	0.020	0.006	27.017	1.573	1.573	0.000	0.000	0.000	0.000
1095	I	30	VAL	0	-0.041	-0.025	31.158	0.192	0.192	0.000	0.000	0.000	0.000
1096	I	31	ASP	-1	-0.886	-0.945	34.413	33.983	33.983	0.000	0.000	0.000	0.000
1097	I	32	TYR	0	-0.001	0.009	24.539	0.047	0.047	0.000	0.000	0.000	0.000
1098	I	33	ILE	0	-0.011	-0.009	30.959	0.407	0.407	0.000	0.000	0.000	0.000
1099	I	34	VAL	0	-0.039	-0.025	32.060	-0.291	-0.291	0.000	0.000	0.000	0.000
1100	I	35	ALA	0	-0.054	-0.028	32.193	-0.499	-0.499	0.000	0.000	0.000	0.000
1101	I	36	ASN	0	-0.056	-0.035	28.354	0.513	0.513	0.000	0.000	0.000	0.000
1102	I	37	GLY	0	-0.061	-0.006	31.057	0.187	0.187	0.000	0.000	0.000	0.000
1103	I	38	TRP	0	-0.001	0.004	25.753	-0.200	-0.200	0.000	0.000	0.000	0.000
1104	I	39	ILE	0	-0.037	-0.030	32.166	-1.237	-1.237	0.000	0.000	0.000	0.000
1105	I	40	PRO	0	0.048	0.044	33.516	0.916	0.916	0.000	0.000	0.000	0.000
1106	I	41	CYS	0	-0.035	-0.022	34.703	-1.430	-1.430	0.000	0.000	0.000	0.000
1107	I	42	LEU	0	0.004	0.022	35.195	0.710	0.710	0.000	0.000	0.000	0.000
1108	I	43	GLU	-1	-0.849	-0.916	32.612	37.652	37.652	0.000	0.000	0.000	0.000
1109	I	44	PHE	0	-0.014	-0.025	35.739	0.388	0.388	0.000	0.000	0.000	0.000
1110	I	45	ALA	0	0.016	-0.001	35.187	-0.093	-0.093	0.000	0.000	0.000	0.000
1111	I	46	THR	0	-0.017	-0.023	37.144	-0.030	-0.030	0.000	0.000	0.000	0.000
1112	I	47	ASP	-1	-0.902	-0.931	38.153	29.890	29.890	0.000	0.000	0.000	0.000
1113	I	48	HIS	0	0.001	-0.013	33.706	0.725	0.725	0.000	0.000	0.000	0.000
1114	I	49	GLY	0	-0.002	0.009	32.586	0.162	0.162	0.000	0.000	0.000	0.000
1115	I	50	PHE	0	-0.029	-0.028	27.720	1.128	1.128	0.000	0.000	0.000	0.000
1116	I	51	VAL	0	0.019	0.018	24.877	-1.043	-1.043	0.000	0.000	0.000	0.000
1117	I	52	TYR	0	-0.066	-0.031	27.881	0.045	0.045	0.000	0.000	0.000	0.000
1118	I	53	ARG	1	0.820	0.906	23.726	-45.490	-45.490	0.000	0.000	0.000	0.000
1119	I	54	GLU	-1	-0.952	-0.960	30.089	32.150	32.150	0.000	0.000	0.000	0.000
1120	I	55	HIS	1	0.857	0.919	33.728	-33.899	-33.899	0.000	0.000	0.000	0.000
1121	I	56	HIS	0	0.019	0.006	30.557	0.228	0.228	0.000	0.000	0.000	0.000
1122	I	57	ASN	0	0.009	-0.017	28.295	1.625	1.625	0.000	0.000	0.000	0.000
1123	I	58	SER	0	-0.020	0.023	26.292	1.444	1.444	0.000	0.000	0.000	0.000
1124	I	59	PRO	0	0.051	0.024	21.118	-0.134	-0.134	0.000	0.000	0.000	0.000
1125	I	60	GLY	0	0.007	0.012	22.481	-0.596	-0.596	0.000	0.000	0.000	0.000
1126	I	61	TYR	0	-0.110	-0.059	23.286	-0.946	-0.946	0.000	0.000	0.000	0.000
1127	I	62	TYR	0	0.030	-0.008	21.430	1.136	1.136	0.000	0.000	0.000	0.000
1128	I	63	ASP	-1	-0.751	-0.845	27.799	35.961	35.961	0.000	0.000	0.000	0.000
1129	I	64	GLY	0	0.052	0.004	29.612	1.098	1.098	0.000	0.000	0.000	0.000
1130	I	65	ARG	1	0.850	0.927	25.094	-44.223	-44.223	0.000	0.000	0.000	0.000
1131	I	66	TYR	0	-0.005	0.012	29.635	0.157	0.157	0.000	0.000	0.000	0.000
1132	I	67	TRP	0	-0.026	-0.017	31.204	-0.328	-0.328	0.000	0.000	0.000	0.000
1133	I	68	THR	0	-0.013	-0.005	35.139	-0.040	-0.040	0.000	0.000	0.000	0.000
1134	I	69	MET	0	0.052	0.039	37.047	0.058	0.058	0.000	0.000	0.000	0.000
1135	I	70	TRP	0	-0.050	-0.039	39.239	-1.201	-1.201	0.000	0.000	0.000	0.000
1136	I	71	LYS	1	0.797	0.900	41.331	-27.346	-27.346	0.000	0.000	0.000	0.000
1137	I	72	LEU	0	0.028	0.004	40.983	0.061	0.061	0.000	0.000	0.000	0.000
1138	I	73	PRO	0	0.018	0.006	36.532	-0.024	-0.024	0.000	0.000	0.000	0.000
1139	I	74	MET	0	-0.014	-0.003	38.416	-0.690	-0.690	0.000	0.000	0.000	0.000
1140	I	75	PHE	0	0.036	-0.003	36.802	0.424	0.424	0.000	0.000	0.000	0.000
1141	I	76	GLY	0	-0.011	0.001	39.102	-0.783	-0.783	0.000	0.000	0.000	0.000
1142	I	77	CYS	0	-0.092	-0.021	39.967	-0.301	-0.301	0.000	0.000	0.000	0.000
1143	I	78	ARG	1	0.996	0.990	38.863	-29.994	-29.994	0.000	0.000	0.000	0.000
1144	I	79	ASP	-1	-0.892	-0.956	40.195	28.391	28.391	0.000	0.000	0.000	0.000
1145	I	80	PRO	0	0.136	0.055	38.751	-0.078	-0.078	0.000	0.000	0.000	0.000
1146	I	81	MET	0	0.000	-0.004	40.242	0.149	0.149	0.000	0.000	0.000	0.000
1147	I	82	GLN	0	-0.054	-0.042	43.160	-0.031	-0.031	0.000	0.000	0.000	0.000
1148	I	83	VAL	0	0.049	0.034	37.086	-0.254	-0.254	0.000	0.000	0.000	0.000
1149	I	84	LEU	0	0.039	0.016	37.742	-0.045	-0.045	0.000	0.000	0.000	0.000
1150	I	85	ARG	1	0.939	0.960	40.705	-27.368	-27.368	0.000	0.000	0.000	0.000
1151	I	86	GLU	-1	-0.812	-0.894	41.581	27.701	27.701	0.000	0.000	0.000	0.000
1152	I	87	ILE	0	0.033	0.027	36.640	-0.046	-0.046	0.000	0.000	0.000	0.000
1153	I	88	VAL	0	-0.007	0.016	40.226	-0.203	-0.203	0.000	0.000	0.000	0.000
1154	I	89	ALA	0	-0.054	-0.032	43.200	-0.471	-0.471	0.000	0.000	0.000	0.000
1155	I	90	CYS	0	-0.014	0.000	40.667	-0.198	-0.198	0.000	0.000	0.000	0.000
1156	I	91	THR	0	0.019	-0.013	39.260	-0.385	-0.385	0.000	0.000	0.000	0.000
1157	I	92	LYS	1	0.908	0.965	42.017	-25.429	-25.429	0.000	0.000	0.000	0.000
1158	I	93	ALA	0	-0.071	-0.033	45.501	-0.553	-0.553	0.000	0.000	0.000	0.000
1159	I	94	PHE	0	-0.010	-0.008	42.236	-0.411	-0.411	0.000	0.000	0.000	0.000
1160	I	95	PRO	0	0.023	0.019	41.879	0.779	0.779	0.000	0.000	0.000	0.000
1161	I	96	ASP	-1	-0.950	-0.988	41.388	29.068	29.068	0.000	0.000	0.000	0.000
1162	I	97	ALA	0	-0.031	0.001	38.992	0.423	0.423	0.000	0.000	0.000	0.000
1163	I	98	TYR	0	0.003	0.001	32.537	0.358	0.358	0.000	0.000	0.000	0.000
1164	I	99	VAL	0	0.010	0.007	35.010	-0.478	-0.478	0.000	0.000	0.000	0.000
1165	I	100	ARG	1	0.830	0.918	29.783	-39.342	-39.342	0.000	0.000	0.000	0.000
1166	I	101	LEU	0	0.004	0.019	32.120	-1.163	-1.163	0.000	0.000	0.000	0.000
1167	I	102	VAL	0	0.029	0.011	30.073	1.413	1.413	0.000	0.000	0.000	0.000
1168	I	103	ALA	0	0.018	0.001	29.709	-1.455	-1.455	0.000	0.000	0.000	0.000
1169	I	104	PHE	0	-0.014	-0.016	29.171	1.449	1.449	0.000	0.000	0.000	0.000
1170	I	105	ASP	-1	-0.783	-0.891	26.541	42.478	42.478	0.000	0.000	0.000	0.000
1171	I	106	ASN	0	-0.041	-0.049	29.021	0.882	0.882	0.000	0.000	0.000	0.000
1172	I	107	GLN	0	-0.026	0.007	28.193	-0.201	-0.201	0.000	0.000	0.000	0.000
1173	I	108	LYS	1	0.925	0.970	20.908	-52.679	-52.679	0.000	0.000	0.000	0.000
1174	I	109	GLN	0	-0.040	-0.008	25.935	0.607	0.607	0.000	0.000	0.000	0.000
1175	I	110	VAL	0	0.029	0.015	23.121	0.737	0.737	0.000	0.000	0.000	0.000
1176	I	111	GLN	0	-0.018	-0.012	26.436	-0.422	-0.422	0.000	0.000	0.000	0.000
1177	I	112	ILE	0	-0.031	-0.018	23.549	2.236	2.236	0.000	0.000	0.000	0.000
1178	I	113	MET	0	-0.006	-0.012	24.609	1.174	1.174	0.000	0.000	0.000	0.000
1179	I	114	GLY	0	0.050	0.020	26.440	-1.520	-1.520	0.000	0.000	0.000	0.000
1180	I	115	PHE	0	0.005	0.009	26.214	1.537	1.537	0.000	0.000	0.000	0.000
1181	I	116	LEU	0	-0.038	-0.019	28.132	-1.536	-1.536	0.000	0.000	0.000	0.000
1182	I	117	VAL	0	-0.010	-0.013	30.437	0.114	0.114	0.000	0.000	0.000	0.000
1183	I	118	GLN	0	-0.054	-0.029	33.629	-1.169	-1.169	0.000	0.000	0.000	0.000
1184	I	119	ARG	1	0.922	0.983	28.852	-38.295	-38.295	0.000	0.000	0.000	0.000
1185	I	120	PRO	0	0.072	0.045	35.064	-0.678	-0.678	0.000	0.000	0.000	0.000
1186	I	121	LYS	1	0.949	0.974	37.090	-28.559	-28.559	0.000	0.000	0.000	0.000
1187	I	122	THR	0	0.012	-0.008	39.226	0.193	0.193	0.000	0.000	0.000	0.000
1188	I	123	ALA	0	-0.003	0.003	39.882	-0.686	-0.686	0.000	0.000	0.000	0.000
1189	I	124	ARG	1	0.853	0.923	31.982	-35.115	-35.115	0.000	0.000	0.000	0.000
1190	I	125	ASP	-1	-0.896	-0.938	33.298	35.725	35.725	0.000	0.000	0.000	0.000
1191	I	126	PHE	0	0.030	0.008	25.691	0.474	0.474	0.000	0.000	0.000	0.000
1192	I	127	GLN	0	-0.075	-0.039	27.289	-1.884	-1.884	0.000	0.000	0.000	0.000
1193	I	128	PRO	0	-0.018	-0.021	28.364	0.709	0.709	0.000	0.000	0.000	0.000
1194	I	129	ALA	0	0.042	0.016	26.188	0.743	0.743	0.000	0.000	0.000	0.000
1195	I	130	ASN	0	0.018	0.015	25.450	1.118	1.118	0.000	0.000	0.000	0.000
1196	I	131	LYS	1	0.904	0.959	27.450	-35.217	-35.217	0.000	0.000	0.000	0.000
1197	I	132	ARG	1	0.916	0.987	23.075	-47.579	-47.579	0.000	0.000	0.000	0.000
1198	I	133	SER	0	0.004	0.001	22.447	0.603	0.603	0.000	0.000	0.000	0.000
1199	I	134	VAL	0	-0.060	-0.009	24.485	-2.042	-2.042	0.000	0.000	0.000	0.000
1201	B	1477	CAP	-4	-3.176	-3.553	28.450	140.092	140.092	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1200(A:1477:CAP)