FMO DATABASE

FMODB ID: 7G6KK

Calculation Name: 2V6A-ABIJ-Xray434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 2V6A

Chain ID: ABIJ

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	1215
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-44039384.398597
FMO2-HF: Nuclear repulsion	43550097.042057
FMO2-HF: Total energy	-489287.35654
FMO2-MP2: Total energy	-490684.180889

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.
-903.848	-910.337	179.977	-89.027	-84.457	-0.714

Interactive mode: IFIE and PIEDA for fragment #1214(A:1477:CAP)

Summations of interaction energy for fragment #1214(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.
-903.848	-910.337	179.977	-89.027	-84.457	0.714

Interaction energy analysis for fragmet #1214(A:1477:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.163 / q_NPA : -3.596

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].
165	A	173	THR	0	0.127	0.045	2.093	-19.095	-16.447	5.098	-3.630	-4.116	-0.012
166	A	174	ILE	0	-0.028	-0.018	4.137	7.322	7.534	-0.001	-0.039	-0.171	0.000
167	A	175	LYS	1	0.814	0.903	2.054	-228.716	-225.723	8.173	-4.816	-6.351	0.071
169	A	177	LYS	1	0.754	0.880	4.328	-160.787	-160.451	-0.001	-0.100	-0.235	0.000
193	A	201	KCX	-1	-0.530	-0.801	1.624	182.995	174.165	26.581	-9.946	-7.805	-0.094
195	A	203	ASP	0	0.187	0.039	4.409	5.908	6.048	-0.001	-0.033	-0.106	0.000
196	A	204	GLU	0	0.175	-0.023	4.166	-16.480	-16.179	-0.001	-0.055	-0.244	0.000
287	A	294	HIS	0	0.073	0.022	1.918	-4.018	-5.218	8.016	-2.976	-3.840	0.012
288	A	295	ARG	1	0.773	0.854	1.789	-278.625	-278.698	23.986	-14.155	-9.757	0.191
289	A	296	ALA	0	0.034	0.014	5.105	-0.501	-0.427	-0.001	-0.007	-0.065	0.000
291	A	298	HIS	1	0.850	0.903	3.435	-173.970	-172.277	0.041	-0.858	-0.877	0.008
320	A	327	HIS	0	0.032	0.050	1.716	-58.141	-60.293	18.007	-8.662	-7.194	0.096
321	A	328	SER	0	0.017	-0.005	4.719	-8.140	-7.991	-0.001	-0.021	-0.128	0.000
322	A	329	GLY	0	0.017	0.017	3.622	-10.545	-9.618	0.023	-0.476	-0.474	0.003
323	A	330	THR	0	0.031	0.007	4.588	-20.406	-20.210	0.000	-0.027	-0.168	0.000
327	A	334	LYS	1	0.777	0.876	1.988	-267.494	-265.316	7.450	-5.037	-4.591	0.067
328	A	335	LEU	0	-0.015	0.001	2.532	-22.338	-17.840	1.627	-2.573	-3.552	0.024
329	A	336	GLU	-1	-0.776	-0.888	5.522	83.886	83.941	-0.001	-0.001	-0.053	0.000
370	A	377	VAL	0	-0.030	-0.016	5.165	-4.142	-4.107	-0.001	-0.006	-0.028	0.000
371	A	378	ALA	0	0.035	0.027	4.742	19.527	19.753	-0.001	-0.008	-0.217	0.000
372	A	379	SER	0	0.006	-0.026	2.093	-30.485	-24.265	5.212	-5.277	-6.155	0.032
373	A	380	GLY	0	0.064	0.032	2.086	8.070	10.530	7.903	-5.467	-4.895	0.025
374	A	381	GLY	0	-0.029	-0.027	1.777	-44.821	-52.794	12.585	-0.715	-3.897	0.059
375	A	382	ILE	0	-0.050	-0.013	3.799	-30.087	-29.296	0.026	-0.365	-0.451	0.003
394	A	401	GLN	0	0.052	0.001	3.796	-24.340	-24.092	-0.001	-0.030	-0.217	0.000
395	A	402	PHE	0	0.019	0.002	3.713	17.156	17.896	0.016	-0.273	-0.482	0.001
396	A	403	GLY	0	0.075	0.042	1.959	-40.944	-40.542	8.152	-4.884	-3.670	0.062
397	A	404	GLY	0	0.046	0.001	1.758	-51.867	-59.324	14.441	-3.150	-3.833	0.059
398	A	405	GLY	0	-0.025	-0.015	3.648	-30.020	-29.321	0.040	-0.297	-0.443	0.005
524	B	65	THR	0	-0.046	-0.064	1.568	-14.225	-26.885	28.490	-11.421	-4.409	0.077
525	B	66	TRP	0	0.020	0.012	2.413	-51.501	-48.932	2.965	-2.331	-3.203	0.031
582	B	123	ASN	0	0.110	0.022	2.700	6.148	9.147	1.156	-1.387	-2.768	-0.006
583	B	124	VAL	0	0.011	0.006	5.146	3.827	3.894	-0.001	-0.004	-0.062	0.000
1	A	9	ALA	0	-0.023	-0.024	59.080	-0.052	-0.052	0.000	0.000	0.000	0.000
2	A	10	GLY	0	0.026	0.018	55.959	0.046	0.046	0.000	0.000	0.000	0.000
3	A	11	ALA	0	-0.005	-0.003	50.814	-0.063	-0.063	0.000	0.000	0.000	0.000
4	A	12	GLY	0	0.036	0.020	52.563	0.019	0.019	0.000	0.000	0.000	0.000
5	A	13	PHE	0	-0.055	-0.019	47.502	0.284	0.284	0.000	0.000	0.000	0.000
6	A	14	LYS	1	0.946	0.972	49.814	-23.731	-23.731	0.000	0.000	0.000	0.000
7	A	15	ALA	0	0.029	0.019	48.649	0.457	0.457	0.000	0.000	0.000	0.000
8	A	16	GLY	0	0.046	0.014	47.413	-0.397	-0.397	0.000	0.000	0.000	0.000
9	A	17	VAL	0	0.003	0.003	42.332	0.268	0.268	0.000	0.000	0.000	0.000
10	A	18	LYS	1	0.885	0.952	43.495	-26.992	-26.992	0.000	0.000	0.000	0.000
11	A	19	ASP	-1	-0.864	-0.926	41.305	28.202	28.202	0.000	0.000	0.000	0.000
12	A	20	TYR	0	-0.039	-0.050	35.687	-0.340	-0.340	0.000	0.000	0.000	0.000
13	A	21	ARG	1	0.937	0.956	38.616	-28.984	-28.984	0.000	0.000	0.000	0.000
14	A	22	LEU	0	-0.050	-0.023	39.511	-0.321	-0.321	0.000	0.000	0.000	0.000
15	A	23	THR	0	-0.058	-0.021	39.738	-0.708	-0.708	0.000	0.000	0.000	0.000
16	A	24	TYR	0	-0.014	-0.018	35.295	-0.285	-0.285	0.000	0.000	0.000	0.000
17	A	25	TYR	0	0.015	0.021	35.702	0.542	0.542	0.000	0.000	0.000	0.000
18	A	26	THR	0	-0.050	-0.042	36.858	-0.722	-0.722	0.000	0.000	0.000	0.000
19	A	27	PRO	0	0.028	0.015	37.297	0.481	0.481	0.000	0.000	0.000	0.000
20	A	28	ASP	-1	-0.928	-0.949	38.373	28.144	28.144	0.000	0.000	0.000	0.000
21	A	29	TYR	0	-0.117	-0.075	34.153	-0.743	-0.743	0.000	0.000	0.000	0.000
22	A	30	VAL	0	-0.005	-0.002	37.078	0.590	0.590	0.000	0.000	0.000	0.000
23	A	31	VAL	0	-0.024	-0.008	31.611	-0.127	-0.127	0.000	0.000	0.000	0.000
24	A	32	ARG	1	0.950	0.976	34.137	-30.831	-30.831	0.000	0.000	0.000	0.000
25	A	33	ASP	-1	-0.870	-0.942	32.254	35.099	35.099	0.000	0.000	0.000	0.000
26	A	34	THR	0	-0.046	-0.037	31.059	0.633	0.633	0.000	0.000	0.000	0.000
27	A	35	ASP	-1	-0.813	-0.883	30.492	34.842	34.842	0.000	0.000	0.000	0.000
28	A	36	ILE	0	0.021	0.012	24.338	0.879	0.879	0.000	0.000	0.000	0.000
29	A	37	LEU	0	-0.046	-0.007	25.770	-1.162	-1.162	0.000	0.000	0.000	0.000
30	A	38	ALA	0	0.028	0.021	23.398	2.189	2.189	0.000	0.000	0.000	0.000
31	A	39	ALA	0	0.009	0.013	22.513	-1.921	-1.921	0.000	0.000	0.000	0.000
32	A	40	PHE	0	0.010	-0.006	22.094	2.644	2.644	0.000	0.000	0.000	0.000
33	A	41	ARG	1	0.839	0.921	19.720	-53.643	-53.643	0.000	0.000	0.000	0.000
34	A	42	MET	0	0.001	-0.002	23.445	0.940	0.940	0.000	0.000	0.000	0.000
35	A	43	THR	0	0.025	0.013	25.771	0.009	0.009	0.000	0.000	0.000	0.000
36	A	44	PRO	0	0.010	0.010	27.724	0.149	0.149	0.000	0.000	0.000	0.000
37	A	45	GLN	0	0.008	0.003	31.190	-0.075	-0.075	0.000	0.000	0.000	0.000
38	A	46	PRO	0	0.026	-0.001	33.207	-0.538	-0.538	0.000	0.000	0.000	0.000
39	A	47	GLY	0	-0.016	-0.004	36.149	-0.340	-0.340	0.000	0.000	0.000	0.000
40	A	48	VAL	0	-0.021	0.000	35.004	-0.729	-0.729	0.000	0.000	0.000	0.000
41	A	49	PRO	0	-0.022	-0.004	35.808	0.614	0.614	0.000	0.000	0.000	0.000
42	A	50	PRO	0	0.083	0.039	33.321	0.443	0.443	0.000	0.000	0.000	0.000
43	A	51	GLU	-1	-0.876	-0.956	33.846	31.466	31.466	0.000	0.000	0.000	0.000
44	A	52	GLU	-1	-0.777	-0.892	36.023	30.311	30.311	0.000	0.000	0.000	0.000
45	A	53	CYS	0	-0.018	-0.004	30.524	0.470	0.470	0.000	0.000	0.000	0.000
46	A	54	GLY	0	0.051	0.009	30.862	0.884	0.884	0.000	0.000	0.000	0.000
47	A	55	ALA	0	-0.036	-0.013	31.821	0.456	0.456	0.000	0.000	0.000	0.000
48	A	56	ALA	0	0.020	0.012	32.777	-0.028	-0.028	0.000	0.000	0.000	0.000
49	A	57	VAL	0	0.018	0.014	26.957	0.360	0.360	0.000	0.000	0.000	0.000
50	A	58	ALA	0	0.014	0.025	29.568	0.575	0.575	0.000	0.000	0.000	0.000
51	A	59	ALA	0	-0.016	0.008	31.227	-0.045	-0.045	0.000	0.000	0.000	0.000
52	A	60	GLU	-1	-0.771	-0.895	30.968	33.764	33.764	0.000	0.000	0.000	0.000
53	A	61	SER	0	-0.033	0.000	27.067	0.747	0.747	0.000	0.000	0.000	0.000
54	A	62	SER	0	-0.030	-0.038	28.865	0.065	0.065	0.000	0.000	0.000	0.000
55	A	63	THR	0	-0.010	-0.007	31.600	-0.111	-0.111	0.000	0.000	0.000	0.000
56	A	64	GLY	0	-0.006	0.006	34.659	-0.900	-0.900	0.000	0.000	0.000	0.000
57	A	65	THR	0	-0.038	-0.059	34.955	0.909	0.909	0.000	0.000	0.000	0.000
58	A	66	TRP	0	0.021	0.012	37.040	-0.604	-0.604	0.000	0.000	0.000	0.000
59	A	67	THR	0	-0.003	0.003	38.745	-0.771	-0.771	0.000	0.000	0.000	0.000
60	A	68	THR	0	-0.059	-0.022	41.856	0.441	0.441	0.000	0.000	0.000	0.000
61	A	69	VAL	0	0.036	0.013	41.478	-0.437	-0.437	0.000	0.000	0.000	0.000
62	A	70	TRP	0	-0.035	-0.030	44.408	-0.182	-0.182	0.000	0.000	0.000	0.000
63	A	71	THR	0	-0.041	-0.066	42.745	-0.397	-0.397	0.000	0.000	0.000	0.000
64	A	72	ASP	-1	-0.844	-0.922	41.764	28.097	28.097	0.000	0.000	0.000	0.000
65	A	73	GLY	0	-0.049	-0.025	43.965	-0.013	-0.013	0.000	0.000	0.000	0.000
66	A	74	LEU	0	-0.099	-0.044	45.941	-0.434	-0.434	0.000	0.000	0.000	0.000
67	A	75	THR	0	-0.055	-0.031	41.322	-0.018	-0.018	0.000	0.000	0.000	0.000
68	A	76	SER	0	-0.009	0.000	42.697	-0.248	-0.248	0.000	0.000	0.000	0.000
69	A	77	LEU	0	0.078	0.016	39.128	0.628	0.628	0.000	0.000	0.000	0.000
70	A	78	ASP	-1	-0.936	-0.960	39.480	27.766	27.766	0.000	0.000	0.000	0.000
71	A	79	ARG	1	0.870	0.948	38.961	-28.416	-28.416	0.000	0.000	0.000	0.000
72	A	80	TYR	0	-0.003	-0.012	36.166	0.619	0.619	0.000	0.000	0.000	0.000
73	A	81	LYS	1	0.842	0.938	34.885	-28.279	-28.279	0.000	0.000	0.000	0.000
74	A	82	GLY	0	0.060	0.021	32.044	0.234	0.234	0.000	0.000	0.000	0.000
75	A	83	ARG	1	0.834	0.920	32.539	-31.500	-31.500	0.000	0.000	0.000	0.000
76	A	84	CYS	0	-0.009	0.012	31.657	0.847	0.847	0.000	0.000	0.000	0.000
77	A	85	TYR	0	0.011	-0.013	29.523	-0.593	-0.593	0.000	0.000	0.000	0.000
78	A	86	ASP	-1	-0.849	-0.929	31.746	34.371	34.371	0.000	0.000	0.000	0.000
79	A	87	ILE	0	-0.069	-0.028	31.227	1.134	1.134	0.000	0.000	0.000	0.000
80	A	88	GLU	-1	-0.794	-0.884	28.051	39.283	39.283	0.000	0.000	0.000	0.000
81	A	89	PRO	0	-0.002	-0.010	29.603	1.100	1.100	0.000	0.000	0.000	0.000
82	A	90	VAL	0	0.003	0.009	24.809	0.464	0.464	0.000	0.000	0.000	0.000
83	A	91	PRO	0	-0.030	-0.018	27.526	-0.477	-0.477	0.000	0.000	0.000	0.000
84	A	92	GLY	0	-0.024	-0.016	27.160	1.262	1.262	0.000	0.000	0.000	0.000
85	A	93	GLU	-1	-0.867	-0.931	23.670	48.108	48.108	0.000	0.000	0.000	0.000
86	A	94	ASP	-1	-0.947	-0.956	26.771	37.214	37.214	0.000	0.000	0.000	0.000
87	A	95	ASN	0	-0.035	-0.027	28.250	-0.107	-0.107	0.000	0.000	0.000	0.000
88	A	96	GLN	0	0.050	0.023	22.780	0.897	0.897	0.000	0.000	0.000	0.000
89	A	97	TYR	0	-0.004	-0.006	27.531	-1.405	-1.405	0.000	0.000	0.000	0.000
90	A	98	ILE	0	-0.033	-0.009	23.516	1.666	1.666	0.000	0.000	0.000	0.000
91	A	99	ALA	0	0.004	0.007	26.867	-1.670	-1.670	0.000	0.000	0.000	0.000
92	A	100	TYR	0	-0.045	-0.022	26.129	2.432	2.432	0.000	0.000	0.000	0.000
93	A	101	VAL	0	0.002	-0.007	27.671	-1.603	-1.603	0.000	0.000	0.000	0.000
94	A	102	ALA	0	-0.023	-0.002	28.108	1.208	1.208	0.000	0.000	0.000	0.000
95	A	103	TYR	0	-0.017	-0.047	26.174	-0.703	-0.703	0.000	0.000	0.000	0.000
96	A	104	HYP	0	0.007	0.009	30.318	0.235	0.235	0.000	0.000	0.000	0.000
97	A	105	ILE	0	0.060	0.020	29.525	0.558	0.558	0.000	0.000	0.000	0.000
98	A	106	ASP	-1	-0.899	-0.958	30.967	32.356	32.356	0.000	0.000	0.000	0.000
99	A	107	LEU	0	-0.093	-0.053	30.250	-0.414	-0.414	0.000	0.000	0.000	0.000
100	A	108	PHE	0	-0.025	0.000	25.483	0.592	0.592	0.000	0.000	0.000	0.000
101	A	109	GLU	-1	-0.785	-0.884	27.162	38.151	38.151	0.000	0.000	0.000	0.000
102	A	110	GLU	-1	-0.790	-0.874	26.584	37.414	37.414	0.000	0.000	0.000	0.000
103	A	111	GLY	0	0.035	0.027	24.429	-0.125	-0.125	0.000	0.000	0.000	0.000
104	A	112	SER	0	-0.011	-0.001	22.906	2.402	2.402	0.000	0.000	0.000	0.000
105	A	113	VAL	0	0.033	0.010	16.713	-0.777	-0.777	0.000	0.000	0.000	0.000
106	A	114	THR	0	-0.010	-0.001	20.131	0.999	0.999	0.000	0.000	0.000	0.000
107	A	115	ASN	0	-0.004	0.001	20.961	-0.772	-0.772	0.000	0.000	0.000	0.000
108	A	116	MET	0	-0.011	0.007	19.291	-1.153	-1.153	0.000	0.000	0.000	0.000
109	A	117	PHE	0	0.010	-0.012	15.132	-0.134	-0.134	0.000	0.000	0.000	0.000
110	A	118	THR	0	-0.010	0.011	20.716	0.333	0.333	0.000	0.000	0.000	0.000
111	A	119	SER	0	-0.003	0.005	23.538	-1.439	-1.439	0.000	0.000	0.000	0.000
112	A	120	ILE	0	-0.036	-0.007	22.275	-0.530	-0.530	0.000	0.000	0.000	0.000
113	A	121	VAL	0	-0.005	-0.025	18.640	-0.067	-0.067	0.000	0.000	0.000	0.000
114	A	122	GLY	0	0.008	0.034	21.955	0.718	0.718	0.000	0.000	0.000	0.000
115	A	123	ASN	0	0.112	0.023	23.964	1.318	1.318	0.000	0.000	0.000	0.000
116	A	124	VAL	0	0.005	0.006	24.684	-0.202	-0.202	0.000	0.000	0.000	0.000
117	A	125	PHE	0	0.018	0.009	19.896	-0.771	-0.771	0.000	0.000	0.000	0.000
118	A	126	GLY	0	0.037	0.016	24.223	0.523	0.523	0.000	0.000	0.000	0.000
119	A	127	PHE	0	-0.017	0.005	26.629	-1.356	-1.356	0.000	0.000	0.000	0.000
120	A	128	LYS	1	0.808	0.903	29.632	-32.252	-32.252	0.000	0.000	0.000	0.000
121	A	129	ALA	0	-0.006	0.002	32.078	0.009	0.009	0.000	0.000	0.000	0.000
122	A	130	LEU	0	-0.038	-0.014	26.199	-0.378	-0.378	0.000	0.000	0.000	0.000
123	A	131	ARG	1	0.839	0.904	27.940	-38.203	-38.203	0.000	0.000	0.000	0.000
124	A	132	ALA	0	0.007	0.002	22.862	1.296	1.296	0.000	0.000	0.000	0.000
125	A	133	LEU	0	-0.006	0.001	22.610	-1.767	-1.767	0.000	0.000	0.000	0.000
126	A	134	ARG	1	0.832	0.930	13.291	-66.606	-66.606	0.000	0.000	0.000	0.000
127	A	135	LEU	0	-0.023	0.011	18.225	-2.014	-2.014	0.000	0.000	0.000	0.000
128	A	136	GLU	-1	-0.782	-0.892	17.463	63.391	63.391	0.000	0.000	0.000	0.000
129	A	137	ASP	-1	-0.799	-0.918	17.572	58.530	58.530	0.000	0.000	0.000	0.000
130	A	138	LEU	0	-0.004	-0.010	18.913	-2.025	-2.025	0.000	0.000	0.000	0.000
131	A	139	ARG	1	0.850	0.949	20.910	-38.585	-38.585	0.000	0.000	0.000	0.000
132	A	140	ILE	0	0.012	-0.014	20.314	-1.701	-1.701	0.000	0.000	0.000	0.000
133	A	141	PRO	0	0.009	0.029	23.528	0.267	0.267	0.000	0.000	0.000	0.000
134	A	142	PRO	0	0.125	0.046	26.502	0.471	0.471	0.000	0.000	0.000	0.000
135	A	143	ALA	0	-0.023	-0.018	27.802	0.067	0.067	0.000	0.000	0.000	0.000
136	A	144	TYR	0	-0.007	-0.023	23.484	0.103	0.103	0.000	0.000	0.000	0.000
137	A	145	VAL	0	0.028	0.024	22.772	0.557	0.557	0.000	0.000	0.000	0.000
138	A	146	LYS	1	0.949	0.962	24.687	-38.948	-38.948	0.000	0.000	0.000	0.000
139	A	147	THR	0	-0.103	-0.044	26.329	-0.577	-0.577	0.000	0.000	0.000	0.000
140	A	148	PHE	0	-0.022	-0.010	21.405	0.102	0.102	0.000	0.000	0.000	0.000
141	A	149	VAL	0	-0.013	-0.001	22.712	-0.656	-0.656	0.000	0.000	0.000	0.000
142	A	150	GLY	0	0.008	0.013	19.726	-0.358	-0.358	0.000	0.000	0.000	0.000
143	A	151	HYP	0	-0.020	-0.030	16.590	1.600	1.600	0.000	0.000	0.000	0.000
144	A	152	PRO	0	-0.057	-0.002	17.317	-2.991	-2.991	0.000	0.000	0.000	0.000
145	A	153	HIS	0	-0.050	-0.034	19.136	-5.545	-5.545	0.000	0.000	0.000	0.000
146	A	154	GLY	0	0.048	0.021	17.625	-2.027	-2.027	0.000	0.000	0.000	0.000
147	A	155	ILE	0	-0.041	-0.023	15.241	-1.053	-1.053	0.000	0.000	0.000	0.000
148	A	156	GLN	0	-0.031	-0.010	18.066	0.014	0.014	0.000	0.000	0.000	0.000
149	A	157	VAL	0	0.055	0.032	21.760	-0.737	-0.737	0.000	0.000	0.000	0.000
150	A	158	GLU	-1	-0.803	-0.881	15.404	74.013	74.013	0.000	0.000	0.000	0.000
151	A	159	ARG	1	0.801	0.881	17.591	-62.979	-62.979	0.000	0.000	0.000	0.000
152	A	160	ASP	-1	-0.801	-0.882	20.852	45.850	45.850	0.000	0.000	0.000	0.000
153	A	161	LYS	1	0.813	0.925	21.780	-50.396	-50.396	0.000	0.000	0.000	0.000
154	A	162	LEU	0	-0.027	-0.018	17.118	-0.924	-0.924	0.000	0.000	0.000	0.000
155	A	163	ASN	0	-0.019	-0.003	21.592	-0.858	-0.858	0.000	0.000	0.000	0.000
156	A	164	LYS	1	0.764	0.889	17.733	-61.834	-61.834	0.000	0.000	0.000	0.000
157	A	165	TYR	0	-0.026	-0.046	21.308	1.146	1.146	0.000	0.000	0.000	0.000
158	A	166	GLY	0	0.014	0.017	22.132	-0.336	-0.336	0.000	0.000	0.000	0.000
159	A	167	ARG	1	0.788	0.883	15.723	-65.964	-65.964	0.000	0.000	0.000	0.000
160	A	168	GLY	0	0.036	0.027	15.070	0.182	0.182	0.000	0.000	0.000	0.000
161	A	169	LEU	0	-0.024	-0.015	13.496	-2.246	-2.246	0.000	0.000	0.000	0.000
162	A	170	LEU	0	-0.004	-0.002	10.287	5.934	5.934	0.000	0.000	0.000	0.000
163	A	171	GLY	0	0.049	0.008	8.802	-6.053	-6.053	0.000	0.000	0.000	0.000
164	A	172	CYS	0	-0.065	-0.020	5.313	4.927	4.927	0.000	0.000	0.000	0.000
168	A	176	PRO	0	0.054	0.037	7.021	-8.709	-8.709	0.000	0.000	0.000	0.000
170	A	178	LEU	0	-0.022	-0.007	7.500	-6.126	-6.126	0.000	0.000	0.000	0.000
171	A	179	GLY	0	0.059	0.021	11.041	0.030	0.030	0.000	0.000	0.000	0.000
172	A	180	LEU	0	-0.044	0.002	11.286	-5.603	-5.603	0.000	0.000	0.000	0.000
173	A	181	SER	0	0.059	0.027	14.554	-0.097	-0.097	0.000	0.000	0.000	0.000
174	A	182	ALA	0	0.102	0.039	16.127	2.547	2.547	0.000	0.000	0.000	0.000
175	A	183	LYS	1	0.941	0.981	17.077	-46.822	-46.822	0.000	0.000	0.000	0.000
176	A	184	ASN	0	-0.012	-0.025	15.880	-1.226	-1.226	0.000	0.000	0.000	0.000
177	A	185	TYR	0	0.086	0.042	8.228	1.854	1.854	0.000	0.000	0.000	0.000
178	A	186	GLY	0	0.062	0.033	13.606	2.621	2.621	0.000	0.000	0.000	0.000
179	A	187	ARG	1	0.896	0.951	16.112	-55.277	-55.277	0.000	0.000	0.000	0.000
180	A	188	ALA	0	-0.005	-0.003	11.611	-0.424	-0.424	0.000	0.000	0.000	0.000
181	A	189	VAL	0	0.075	0.028	11.330	2.059	2.059	0.000	0.000	0.000	0.000
182	A	190	TYR	0	-0.089	-0.076	13.234	-0.535	-0.535	0.000	0.000	0.000	0.000
183	A	191	GLU	-1	-0.900	-0.953	14.891	57.820	57.820	0.000	0.000	0.000	0.000
184	A	192	CYS	0	-0.053	-0.024	9.510	-0.464	-0.464	0.000	0.000	0.000	0.000
185	A	193	LEU	0	0.028	0.020	12.851	-1.207	-1.207	0.000	0.000	0.000	0.000
186	A	194	ARG	1	0.735	0.840	14.923	-56.793	-56.793	0.000	0.000	0.000	0.000
187	A	195	GLY	0	-0.037	-0.015	15.809	-2.828	-2.828	0.000	0.000	0.000	0.000
188	A	196	GLY	0	0.011	0.007	16.002	-0.514	-0.514	0.000	0.000	0.000	0.000
189	A	197	LEU	0	-0.025	-0.004	9.367	0.205	0.205	0.000	0.000	0.000	0.000
190	A	198	ASP	-1	-0.762	-0.845	13.053	67.520	67.520	0.000	0.000	0.000	0.000
191	A	199	PHE	0	0.023	-0.001	10.718	-3.671	-3.671	0.000	0.000	0.000	0.000
192	A	200	THR	0	-0.036	-0.048	8.678	3.022	3.022	0.000	0.000	0.000	0.000
194	A	202	ASP	-1	-0.701	-0.834	6.860	87.011	87.011	0.000	0.000	0.000	0.000
198	A	205	ASN	0	0.000	-0.004	5.770	-3.830	-3.830	0.000	0.000	0.000	0.000
199	A	206	VAL	0	-0.055	-0.003	8.409	-9.447	-9.447	0.000	0.000	0.000	0.000
200	A	207	ASN	0	-0.011	-0.002	10.363	-2.177	-2.177	0.000	0.000	0.000	0.000
201	A	208	SER	0	0.015	0.000	13.197	-1.901	-1.901	0.000	0.000	0.000	0.000
202	A	209	GLN	0	0.020	0.001	12.502	-1.005	-1.005	0.000	0.000	0.000	0.000
203	A	210	PRO	0	0.002	0.004	17.612	-1.093	-1.093	0.000	0.000	0.000	0.000
204	A	211	PHE	0	-0.041	-0.006	12.931	-1.545	-1.545	0.000	0.000	0.000	0.000
205	A	212	MET	0	-0.066	-0.018	12.252	-0.860	-0.860	0.000	0.000	0.000	0.000
206	A	213	ARG	1	0.842	0.918	16.858	-50.179	-50.179	0.000	0.000	0.000	0.000
207	A	214	TRP	0	0.047	0.010	16.764	0.275	0.275	0.000	0.000	0.000	0.000
208	A	215	ARG	1	0.971	0.989	17.750	-44.142	-44.142	0.000	0.000	0.000	0.000
209	A	216	ASP	-1	-0.885	-0.942	20.055	48.677	48.677	0.000	0.000	0.000	0.000
210	A	217	ARG	1	0.793	0.868	12.538	-74.903	-74.903	0.000	0.000	0.000	0.000
211	A	218	PHE	0	0.006	-0.007	14.890	0.598	0.598	0.000	0.000	0.000	0.000
212	A	219	LEU	0	0.009	0.006	18.019	-0.597	-0.597	0.000	0.000	0.000	0.000
213	A	220	PHE	0	0.006	-0.007	18.447	-0.933	-0.933	0.000	0.000	0.000	0.000
214	A	221	VAL	0	0.005	0.004	13.826	0.251	0.251	0.000	0.000	0.000	0.000
215	A	222	ALA	0	0.014	0.017	16.717	0.323	0.323	0.000	0.000	0.000	0.000
216	A	223	GLU	-1	-0.980	-0.982	19.605	46.525	46.525	0.000	0.000	0.000	0.000
217	A	224	ALA	0	-0.025	-0.021	16.838	-0.907	-0.907	0.000	0.000	0.000	0.000
218	A	225	ILE	0	0.002	0.001	15.605	0.024	0.024	0.000	0.000	0.000	0.000
219	A	226	TYR	0	-0.024	-0.028	18.301	-0.655	-0.655	0.000	0.000	0.000	0.000
220	A	227	LYS	1	0.905	0.972	21.310	-48.659	-48.659	0.000	0.000	0.000	0.000
221	A	228	ALA	0	0.033	0.002	18.439	-1.253	-1.253	0.000	0.000	0.000	0.000
222	A	229	GLN	0	0.037	0.032	20.374	1.527	1.527	0.000	0.000	0.000	0.000
223	A	230	ALA	0	-0.030	-0.015	21.924	-1.503	-1.503	0.000	0.000	0.000	0.000
224	A	231	GLU	-1	-0.852	-0.893	22.091	49.538	49.538	0.000	0.000	0.000	0.000
225	A	232	THR	0	-0.011	-0.023	19.545	-0.795	-0.795	0.000	0.000	0.000	0.000
226	A	233	GLY	0	-0.003	0.010	22.975	-0.899	-0.899	0.000	0.000	0.000	0.000
227	A	234	GLU	-1	-0.772	-0.866	19.583	56.340	56.340	0.000	0.000	0.000	0.000
228	A	235	VAL	0	0.018	0.008	19.613	0.580	0.580	0.000	0.000	0.000	0.000
229	A	236	LYS	1	0.852	0.946	16.424	-61.449	-61.449	0.000	0.000	0.000	0.000
230	A	237	GLY	0	0.016	-0.003	15.274	-2.912	-2.912	0.000	0.000	0.000	0.000
231	A	238	HIS	0	-0.017	-0.006	9.796	3.426	3.426	0.000	0.000	0.000	0.000
232	A	239	TYR	0	-0.020	-0.022	7.284	-8.003	-8.003	0.000	0.000	0.000	0.000
233	A	240	LEU	0	-0.022	0.000	10.089	4.115	4.115	0.000	0.000	0.000	0.000
234	A	241	ASN	0	0.006	-0.013	8.585	-5.549	-5.549	0.000	0.000	0.000	0.000
235	A	242	ALA	0	-0.021	-0.010	11.363	-4.220	-4.220	0.000	0.000	0.000	0.000
236	A	243	THR	0	-0.004	0.002	10.217	-5.067	-5.067	0.000	0.000	0.000	0.000
237	A	244	ALA	0	0.005	0.002	13.271	-0.863	-0.863	0.000	0.000	0.000	0.000
238	A	245	GLY	0	0.037	0.018	16.408	0.729	0.729	0.000	0.000	0.000	0.000
239	A	246	THR	0	0.018	0.014	19.010	-0.634	-0.634	0.000	0.000	0.000	0.000
240	B	247	CYS	0	0.051	-0.013	20.371	1.113	1.113	0.000	0.000	0.000	0.000
241	A	248	GLU	-1	-0.812	-0.896	21.783	44.682	44.682	0.000	0.000	0.000	0.000
242	A	249	GLU	-1	-0.845	-0.912	20.052	48.789	48.789	0.000	0.000	0.000	0.000
243	A	250	MET	0	-0.013	0.014	16.469	1.407	1.407	0.000	0.000	0.000	0.000
244	A	251	MET	0	-0.019	-0.009	18.747	1.260	1.260	0.000	0.000	0.000	0.000
245	A	252	LYS	1	0.850	0.916	21.455	-45.873	-45.873	0.000	0.000	0.000	0.000
246	A	253	ARG	1	0.739	0.866	15.871	-59.329	-59.329	0.000	0.000	0.000	0.000
247	A	254	ALA	0	0.064	0.028	18.479	0.569	0.569	0.000	0.000	0.000	0.000
248	A	255	VAL	0	-0.012	-0.002	19.312	-0.540	-0.540	0.000	0.000	0.000	0.000
249	A	256	SMC	0	-0.055	-0.012	20.702	-0.406	-0.406	0.000	0.000	0.000	0.000
250	A	257	ALA	0	0.036	0.009	17.896	-0.499	-0.499	0.000	0.000	0.000	0.000
251	A	258	LYS	1	0.887	0.927	19.944	-43.309	-43.309	0.000	0.000	0.000	0.000
252	A	259	GLU	-1	-1.011	-1.012	22.815	40.423	40.423	0.000	0.000	0.000	0.000
253	A	260	LEU	0	-0.067	-0.022	20.640	-1.138	-1.138	0.000	0.000	0.000	0.000
254	A	261	GLY	0	0.011	0.018	23.629	-0.069	-0.069	0.000	0.000	0.000	0.000
255	A	262	VAL	0	-0.038	-0.018	18.114	0.564	0.564	0.000	0.000	0.000	0.000
256	A	263	PRO	0	0.039	0.008	17.144	-0.286	-0.286	0.000	0.000	0.000	0.000
257	A	264	ILE	0	-0.037	-0.010	12.405	0.044	0.044	0.000	0.000	0.000	0.000
258	A	265	ILE	0	0.002	0.012	13.271	0.166	0.166	0.000	0.000	0.000	0.000
259	A	266	MET	0	-0.046	-0.006	5.356	2.068	2.068	0.000	0.000	0.000	0.000
260	A	267	HIS	0	-0.025	-0.029	10.100	-6.455	-6.455	0.000	0.000	0.000	0.000
261	A	268	ASP	-1	-0.762	-0.892	7.704	111.577	111.577	0.000	0.000	0.000	0.000
262	A	269	TYR	0	-0.057	-0.042	7.465	-2.597	-2.597	0.000	0.000	0.000	0.000
263	A	270	LEU	0	-0.034	-0.001	7.926	-6.023	-6.023	0.000	0.000	0.000	0.000
264	A	271	THR	0	-0.026	-0.020	9.962	-4.133	-4.133	0.000	0.000	0.000	0.000
265	A	272	GLY	0	0.020	0.018	12.419	-4.708	-4.708	0.000	0.000	0.000	0.000
266	A	273	GLY	0	0.000	-0.005	13.865	-4.910	-4.910	0.000	0.000	0.000	0.000
267	A	274	PHE	0	0.061	0.007	13.503	0.759	0.759	0.000	0.000	0.000	0.000
268	A	275	THR	0	-0.001	0.021	16.735	-0.800	-0.800	0.000	0.000	0.000	0.000
269	A	276	ALA	0	0.029	-0.006	17.495	-1.416	-1.416	0.000	0.000	0.000	0.000
270	A	277	ASN	0	0.031	0.014	13.742	3.290	3.290	0.000	0.000	0.000	0.000
271	A	278	THR	0	0.008	0.011	16.466	0.233	0.233	0.000	0.000	0.000	0.000
272	A	279	SER	0	-0.012	-0.018	19.258	-1.194	-1.194	0.000	0.000	0.000	0.000
273	A	280	LEU	0	-0.009	-0.001	15.070	-1.394	-1.394	0.000	0.000	0.000	0.000
274	A	281	ALA	0	0.031	0.017	17.391	-0.492	-0.492	0.000	0.000	0.000	0.000
275	A	282	ILE	0	0.008	0.000	19.071	-1.357	-1.357	0.000	0.000	0.000	0.000
276	A	283	TYR	0	0.053	0.026	20.737	-1.306	-1.306	0.000	0.000	0.000	0.000
277	A	284	CYS	0	-0.045	-0.020	18.008	-0.331	-0.331	0.000	0.000	0.000	0.000
278	A	285	ARG	1	0.842	0.908	20.625	-48.838	-48.838	0.000	0.000	0.000	0.000
279	A	286	ASP	-1	-0.929	-0.961	23.272	41.264	41.264	0.000	0.000	0.000	0.000
280	A	287	ASN	0	-0.114	-0.056	23.308	-2.970	-2.970	0.000	0.000	0.000	0.000
281	A	288	GLY	0	-0.027	0.007	23.257	-0.125	-0.125	0.000	0.000	0.000	0.000
282	A	289	LEU	0	-0.029	-0.013	18.066	0.614	0.614	0.000	0.000	0.000	0.000
283	A	290	LEU	0	-0.022	-0.013	15.648	0.072	0.072	0.000	0.000	0.000	0.000
284	A	291	LEU	0	0.012	-0.002	13.179	0.919	0.919	0.000	0.000	0.000	0.000
285	A	292	HIS	0	0.007	-0.001	5.407	-8.079	-8.079	0.000	0.000	0.000	0.000
286	A	293	ILE	0	0.000	0.000	8.246	-0.665	-0.665	0.000	0.000	0.000	0.000
290	A	297	MET	0	0.001	-0.007	6.027	-12.043	-12.043	0.000	0.000	0.000	0.000
292	A	299	ALA	0	0.013	0.025	6.616	-8.208	-8.208	0.000	0.000	0.000	0.000
293	A	300	VAL	0	-0.045	-0.012	8.437	-7.851	-7.851	0.000	0.000	0.000	0.000
294	A	301	ILE	0	-0.024	-0.010	10.850	-6.558	-6.558	0.000	0.000	0.000	0.000
295	A	302	ASP	-1	-0.804	-0.902	8.291	108.080	108.080	0.000	0.000	0.000	0.000
296	A	303	ARG	1	0.796	0.905	9.346	-95.313	-95.313	0.000	0.000	0.000	0.000
297	A	304	GLN	0	-0.026	-0.025	11.239	-4.846	-4.846	0.000	0.000	0.000	0.000
298	A	305	ARG	1	0.841	0.918	14.994	-55.747	-55.747	0.000	0.000	0.000	0.000
299	A	306	ASN	0	-0.016	-0.017	17.216	0.453	0.453	0.000	0.000	0.000	0.000
300	A	307	HIS	0	-0.014	-0.022	18.269	-3.554	-3.554	0.000	0.000	0.000	0.000
301	A	308	GLY	0	0.048	0.041	16.021	3.111	3.111	0.000	0.000	0.000	0.000
302	A	309	ILE	0	-0.040	-0.034	14.222	-3.862	-3.862	0.000	0.000	0.000	0.000
303	A	310	HIS	0	0.055	0.042	12.224	5.107	5.107	0.000	0.000	0.000	0.000
304	A	311	PHE	0	0.070	0.016	6.954	2.088	2.088	0.000	0.000	0.000	0.000
305	A	312	ARG	1	0.898	0.932	10.615	-64.388	-64.388	0.000	0.000	0.000	0.000
306	A	313	VAL	0	-0.032	-0.005	13.201	-1.930	-1.930	0.000	0.000	0.000	0.000
307	A	314	LEU	0	-0.008	-0.007	9.761	-1.633	-1.633	0.000	0.000	0.000	0.000
308	A	315	ALA	0	0.015	0.019	10.204	0.877	0.877	0.000	0.000	0.000	0.000
309	A	316	LYS	1	0.832	0.918	11.401	-58.444	-58.444	0.000	0.000	0.000	0.000
310	A	317	ALA	0	0.024	0.005	13.972	-2.450	-2.450	0.000	0.000	0.000	0.000
311	A	318	LEU	0	0.009	0.012	10.287	-2.464	-2.464	0.000	0.000	0.000	0.000
312	A	319	ARG	1	0.767	0.893	13.209	-61.540	-61.540	0.000	0.000	0.000	0.000
313	A	320	MET	0	-0.006	-0.006	15.383	-2.343	-2.343	0.000	0.000	0.000	0.000
314	A	321	SER	0	-0.065	-0.032	15.483	-1.042	-1.042	0.000	0.000	0.000	0.000
315	A	322	GLY	0	0.035	0.010	15.887	-2.428	-2.428	0.000	0.000	0.000	0.000
316	A	323	GLY	0	0.027	-0.015	13.183	2.759	2.759	0.000	0.000	0.000	0.000
317	A	324	ASP	-1	-0.720	-0.848	14.213	62.123	62.123	0.000	0.000	0.000	0.000
318	A	325	HIS	1	0.732	0.846	9.500	-89.445	-89.445	0.000	0.000	0.000	0.000
319	A	326	LEU	0	0.035	0.012	6.809	-0.929	-0.929	0.000	0.000	0.000	0.000
324	A	331	ALA	0	0.065	0.056	7.144	-10.779	-10.779	0.000	0.000	0.000	0.000
325	A	332	VAL	0	-0.040	-0.030	9.386	-4.056	-4.056	0.000	0.000	0.000	0.000
326	A	333	GLY	0	0.002	0.013	7.024	-3.437	-3.437	0.000	0.000	0.000	0.000
330	A	337	GLY	0	0.025	-0.002	5.877	11.211	11.211	0.000	0.000	0.000	0.000
331	A	338	GLU	-1	-0.837	-0.908	7.919	72.223	72.223	0.000	0.000	0.000	0.000
332	A	339	ARG	1	0.910	0.957	11.257	-63.382	-63.382	0.000	0.000	0.000	0.000
333	A	340	GLU	-1	-0.883	-0.944	12.993	63.416	63.416	0.000	0.000	0.000	0.000
334	A	341	VAL	0	-0.023	-0.007	11.255	-1.009	-1.009	0.000	0.000	0.000	0.000
335	A	342	THR	0	-0.026	0.002	8.603	4.877	4.877	0.000	0.000	0.000	0.000
336	A	343	LEU	0	0.035	0.004	10.454	1.139	1.139	0.000	0.000	0.000	0.000
337	A	344	SER	0	-0.093	-0.048	13.310	-2.919	-2.919	0.000	0.000	0.000	0.000
338	A	345	PHE	0	-0.017	-0.018	8.092	-1.936	-1.936	0.000	0.000	0.000	0.000
339	A	346	VAL	0	0.001	-0.001	10.983	-0.309	-0.309	0.000	0.000	0.000	0.000
340	A	347	ASP	-1	-0.765	-0.866	12.810	60.456	60.456	0.000	0.000	0.000	0.000
341	A	348	LEU	0	-0.079	-0.035	14.808	-2.740	-2.740	0.000	0.000	0.000	0.000
342	A	349	MET	0	-0.056	-0.009	8.928	-0.463	-0.463	0.000	0.000	0.000	0.000
343	A	350	ARG	1	0.827	0.906	14.199	-72.241	-72.241	0.000	0.000	0.000	0.000
344	A	351	ASP	-1	-0.868	-0.924	16.544	54.830	54.830	0.000	0.000	0.000	0.000
345	A	352	ASP	-1	-0.887	-0.949	19.899	45.927	45.927	0.000	0.000	0.000	0.000
346	A	353	TYR	0	-0.036	-0.023	23.009	-1.122	-1.122	0.000	0.000	0.000	0.000
347	A	354	VAL	0	0.000	0.014	19.199	0.744	0.744	0.000	0.000	0.000	0.000
348	A	355	GLU	-1	-0.862	-0.947	22.623	39.948	39.948	0.000	0.000	0.000	0.000
349	A	356	LYS	1	0.909	0.960	23.401	-39.051	-39.051	0.000	0.000	0.000	0.000
350	A	357	ASP	-1	-0.798	-0.893	22.128	46.701	46.701	0.000	0.000	0.000	0.000
351	A	358	ARG	1	0.857	0.915	21.870	-42.391	-42.391	0.000	0.000	0.000	0.000
352	A	359	SER	0	-0.090	-0.049	22.051	1.517	1.517	0.000	0.000	0.000	0.000
353	A	360	ARG	1	0.894	0.938	17.174	-57.029	-57.029	0.000	0.000	0.000	0.000
354	A	361	GLY	0	-0.048	-0.023	17.419	3.310	3.310	0.000	0.000	0.000	0.000
355	A	362	ILE	0	-0.019	0.003	18.171	1.356	1.356	0.000	0.000	0.000	0.000
356	A	363	TYR	0	-0.036	-0.036	19.483	-3.300	-3.300	0.000	0.000	0.000	0.000
357	A	364	PHE	0	-0.052	-0.035	22.434	-2.734	-2.734	0.000	0.000	0.000	0.000
358	A	365	THR	0	0.039	0.028	23.018	1.814	1.814	0.000	0.000	0.000	0.000
359	A	366	GLN	0	-0.055	-0.026	19.887	-0.133	-0.133	0.000	0.000	0.000	0.000
360	A	367	ASP	-1	-0.846	-0.922	23.076	42.230	42.230	0.000	0.000	0.000	0.000
361	A	368	TRP	0	-0.022	-0.032	17.413	0.143	0.143	0.000	0.000	0.000	0.000
362	A	369	SMC	0	-0.045	-0.017	23.283	-0.474	-0.474	0.000	0.000	0.000	0.000
363	A	370	SER	0	-0.029	-0.026	25.411	-1.431	-1.431	0.000	0.000	0.000	0.000
364	A	371	MET	0	-0.066	0.001	20.103	0.987	0.987	0.000	0.000	0.000	0.000
365	A	372	PRO	0	0.025	0.016	19.901	1.028	1.028	0.000	0.000	0.000	0.000
366	A	373	GLY	0	0.043	0.032	17.690	1.286	1.286	0.000	0.000	0.000	0.000
367	A	374	VAL	0	-0.016	-0.019	11.632	-0.271	-0.271	0.000	0.000	0.000	0.000
368	A	375	MET	0	-0.007	-0.005	11.671	0.044	0.044	0.000	0.000	0.000	0.000
369	A	376	PRO	0	0.038	0.018	9.009	6.074	6.074	0.000	0.000	0.000	0.000
376	A	383	HIS	0	0.018	-0.024	5.696	6.513	6.513	0.000	0.000	0.000	0.000
377	A	384	VAL	0	0.062	0.022	8.412	-5.065	-5.065	0.000	0.000	0.000	0.000
378	A	385	TRP	0	-0.085	-0.044	11.729	-7.432	-7.432	0.000	0.000	0.000	0.000
379	A	386	HIS	0	0.034	0.027	8.802	0.815	0.815	0.000	0.000	0.000	0.000
380	A	387	MET	0	-0.024	0.010	11.032	0.485	0.485	0.000	0.000	0.000	0.000
381	A	388	PRO	0	0.018	0.004	13.450	-1.133	-1.133	0.000	0.000	0.000	0.000
382	A	389	ALA	0	0.015	0.014	14.651	-1.743	-1.743	0.000	0.000	0.000	0.000
383	A	390	LEU	0	0.001	0.003	9.568	0.420	0.420	0.000	0.000	0.000	0.000
384	A	391	VAL	0	0.014	-0.006	13.293	-0.712	-0.712	0.000	0.000	0.000	0.000
385	A	392	GLU	-1	-0.898	-0.955	16.122	59.499	59.499	0.000	0.000	0.000	0.000
386	A	393	ILE	0	-0.045	-0.007	12.012	-1.783	-1.783	0.000	0.000	0.000	0.000
387	A	394	PHE	0	-0.017	-0.011	8.415	-0.421	-0.421	0.000	0.000	0.000	0.000
388	A	395	GLY	0	0.018	0.023	13.963	-2.929	-2.929	0.000	0.000	0.000	0.000
389	A	396	ASP	-1	-0.829	-0.928	15.634	63.116	63.116	0.000	0.000	0.000	0.000
390	A	397	ASP	-1	-0.877	-0.923	15.784	63.347	63.347	0.000	0.000	0.000	0.000
391	A	398	ALA	0	0.053	0.014	10.651	2.210	2.210	0.000	0.000	0.000	0.000
392	A	399	CYS	0	-0.073	-0.010	9.304	-3.907	-3.907	0.000	0.000	0.000	0.000
393	A	400	LEU	0	0.005	0.003	8.576	9.433	9.433	0.000	0.000	0.000	0.000
399	A	406	THR	0	-0.062	-0.040	6.030	-20.945	-20.945	0.000	0.000	0.000	0.000
400	A	407	LEU	0	-0.018	-0.028	6.322	-13.372	-13.372	0.000	0.000	0.000	0.000
401	A	408	GLY	0	0.048	0.025	7.343	-7.105	-7.105	0.000	0.000	0.000	0.000
402	A	409	HIS	0	-0.035	0.000	8.567	-6.103	-6.103	0.000	0.000	0.000	0.000
403	A	410	PRO	0	0.015	-0.006	11.523	-2.066	-2.066	0.000	0.000	0.000	0.000
404	A	411	TRP	0	-0.068	-0.064	14.699	-3.994	-3.994	0.000	0.000	0.000	0.000
405	A	412	GLY	0	0.042	0.035	13.657	-3.101	-3.101	0.000	0.000	0.000	0.000
406	A	413	ASN	0	0.024	0.004	11.133	3.278	3.278	0.000	0.000	0.000	0.000
407	A	414	ALA	0	0.051	0.049	12.762	1.975	1.975	0.000	0.000	0.000	0.000
408	A	415	PRO	0	-0.010	-0.026	15.451	-0.113	-0.113	0.000	0.000	0.000	0.000
409	A	416	GLY	0	0.044	0.016	11.603	-0.103	-0.103	0.000	0.000	0.000	0.000
410	A	417	ALA	0	-0.018	-0.001	11.394	3.261	3.261	0.000	0.000	0.000	0.000
411	A	418	ALA	0	0.030	0.025	12.348	-0.300	-0.300	0.000	0.000	0.000	0.000
412	A	419	ALA	0	-0.056	-0.019	13.064	-1.675	-1.675	0.000	0.000	0.000	0.000
413	A	420	ASN	0	0.014	-0.004	8.519	-2.407	-2.407	0.000	0.000	0.000	0.000
414	A	421	ARG	1	0.744	0.855	12.139	-62.748	-62.748	0.000	0.000	0.000	0.000
415	A	422	VAL	0	-0.009	-0.005	14.905	-2.808	-2.808	0.000	0.000	0.000	0.000
416	A	423	ALA	0	-0.011	-0.001	13.861	-2.319	-2.319	0.000	0.000	0.000	0.000
417	A	424	LEU	0	0.026	0.009	13.787	-1.746	-1.746	0.000	0.000	0.000	0.000
418	A	425	GLU	-1	-0.745	-0.874	15.658	53.437	53.437	0.000	0.000	0.000	0.000
419	A	426	ALA	0	0.006	0.001	19.024	-2.734	-2.734	0.000	0.000	0.000	0.000
420	A	427	CYS	0	-0.062	-0.033	17.501	-1.832	-1.832	0.000	0.000	0.000	0.000
421	A	428	THR	0	0.011	0.000	18.473	-1.079	-1.079	0.000	0.000	0.000	0.000
422	A	429	GLN	0	-0.012	-0.007	20.886	-3.220	-3.220	0.000	0.000	0.000	0.000
423	A	430	ALA	0	-0.015	-0.008	22.968	-1.797	-1.797	0.000	0.000	0.000	0.000
424	A	431	ARG	1	0.838	0.911	19.913	-57.681	-57.681	0.000	0.000	0.000	0.000
425	A	432	ASN	0	-0.017	-0.018	24.441	0.040	0.040	0.000	0.000	0.000	0.000
426	A	433	GLU	-1	-0.960	-0.984	26.800	41.174	41.174	0.000	0.000	0.000	0.000
427	A	434	GLY	0	-0.020	0.000	28.121	-1.561	-1.561	0.000	0.000	0.000	0.000
428	A	435	ARG	1	0.848	0.939	25.938	-45.965	-45.965	0.000	0.000	0.000	0.000
429	A	436	ASP	-1	-0.834	-0.919	24.859	50.800	50.800	0.000	0.000	0.000	0.000
430	A	437	LEU	0	-0.028	-0.022	19.493	0.374	0.374	0.000	0.000	0.000	0.000
431	A	438	ALA	0	0.033	0.028	21.397	1.830	1.830	0.000	0.000	0.000	0.000
432	A	439	ARG	1	0.880	0.940	22.383	-44.021	-44.021	0.000	0.000	0.000	0.000
433	A	440	GLU	-1	-0.846	-0.940	24.890	43.779	43.779	0.000	0.000	0.000	0.000
434	A	441	GLY	0	0.044	0.023	20.503	0.086	0.086	0.000	0.000	0.000	0.000
435	A	442	GLY	0	-0.026	-0.026	20.341	1.198	1.198	0.000	0.000	0.000	0.000
436	A	443	ASP	-1	-0.860	-0.936	21.353	46.427	46.427	0.000	0.000	0.000	0.000
437	A	444	VAL	0	-0.021	0.006	20.599	-1.068	-1.068	0.000	0.000	0.000	0.000
438	A	445	ILE	0	0.058	0.029	16.130	-0.594	-0.594	0.000	0.000	0.000	0.000
439	A	446	ARG	1	0.876	0.932	19.513	-52.259	-52.259	0.000	0.000	0.000	0.000
440	A	447	SER	0	-0.060	-0.038	22.087	-1.920	-1.920	0.000	0.000	0.000	0.000
441	A	448	ALA	0	0.035	0.024	19.779	-1.314	-1.314	0.000	0.000	0.000	0.000
442	A	449	CYS	0	-0.118	-0.078	14.036	2.677	2.677	0.000	0.000	0.000	0.000
443	A	450	LYS	1	0.893	0.950	20.593	-45.835	-45.835	0.000	0.000	0.000	0.000
444	A	451	TRP	0	-0.024	0.006	21.963	-1.226	-1.226	0.000	0.000	0.000	0.000
445	A	452	SER	0	0.014	0.019	19.814	0.040	0.040	0.000	0.000	0.000	0.000
446	A	453	PRO	0	0.042	0.010	20.734	1.572	1.572	0.000	0.000	0.000	0.000
447	A	454	GLU	-1	-0.811	-0.906	16.949	54.244	54.244	0.000	0.000	0.000	0.000
448	A	455	LEU	0	0.036	0.011	15.160	3.547	3.547	0.000	0.000	0.000	0.000
449	A	456	ALA	0	-0.001	-0.006	16.725	2.359	2.359	0.000	0.000	0.000	0.000
450	A	457	ALA	0	-0.028	-0.004	17.116	0.731	0.731	0.000	0.000	0.000	0.000
451	A	458	ALA	0	0.027	0.009	12.529	2.003	2.003	0.000	0.000	0.000	0.000
452	A	460	GLU	-1	-0.938	-0.958	16.146	54.649	54.649	0.000	0.000	0.000	0.000
453	A	461	VAL	0	-0.041	-0.013	12.208	-0.269	-0.269	0.000	0.000	0.000	0.000
454	A	462	TRP	0	-0.013	-0.025	8.439	1.837	1.837	0.000	0.000	0.000	0.000
455	A	463	LYS	1	0.897	0.965	13.040	-55.777	-55.777	0.000	0.000	0.000	0.000
456	A	464	GLU	-1	-0.920	-0.971	15.923	58.636	58.636	0.000	0.000	0.000	0.000
457	A	465	ILE	0	-0.072	-0.011	9.537	0.752	0.752	0.000	0.000	0.000	0.000
458	A	466	LYS	1	0.954	0.974	11.973	-63.783	-63.783	0.000	0.000	0.000	0.000
459	A	467	PHE	0	0.006	0.008	7.094	1.572	1.572	0.000	0.000	0.000	0.000
460	A	468	GLU	-1	-0.945	-0.974	11.645	72.125	72.125	0.000	0.000	0.000	0.000
461	A	469	PHE	0	0.031	0.004	12.196	-2.173	-2.173	0.000	0.000	0.000	0.000
462	A	470	ASP	-1	-0.816	-0.898	14.818	62.179	62.179	0.000	0.000	0.000	0.000
463	A	471	THR	0	-0.039	-0.009	12.018	3.275	3.275	0.000	0.000	0.000	0.000
464	A	472	ILE	0	-0.007	0.005	12.704	-5.411	-5.411	0.000	0.000	0.000	0.000
465	A	473	ASP	-1	-0.839	-0.914	11.406	73.379	73.379	0.000	0.000	0.000	0.000
466	A	474	LYS	1	0.783	0.872	13.426	-60.531	-60.531	0.000	0.000	0.000	0.000
467	A	475	LEU	0	0.013	0.012	15.993	-4.074	-4.074	0.000	0.000	0.000	0.000
468	B	9	ALA	0	-0.023	-0.022	25.819	-0.293	-0.293	0.000	0.000	0.000	0.000
469	B	10	GLY	0	0.029	0.021	25.237	-0.210	-0.210	0.000	0.000	0.000	0.000
470	B	11	ALA	0	-0.009	-0.008	20.255	0.545	0.545	0.000	0.000	0.000	0.000
471	B	12	GLY	0	0.033	0.015	19.595	-0.024	-0.024	0.000	0.000	0.000	0.000
472	B	13	PHE	0	-0.055	-0.018	11.496	0.218	0.218	0.000	0.000	0.000	0.000
473	B	14	LYS	1	0.949	0.974	15.296	-59.682	-59.682	0.000	0.000	0.000	0.000
474	B	15	ALA	0	0.029	0.019	12.371	2.899	2.899	0.000	0.000	0.000	0.000
475	B	16	GLY	0	0.054	0.019	11.218	-4.644	-4.644	0.000	0.000	0.000	0.000
476	B	17	VAL	0	0.001	0.002	9.257	2.905	2.905	0.000	0.000	0.000	0.000
477	B	18	LYS	1	0.882	0.952	11.458	-78.591	-78.591	0.000	0.000	0.000	0.000
478	B	19	ASP	-1	-0.871	-0.929	12.377	72.048	72.048	0.000	0.000	0.000	0.000
479	B	20	TYR	0	-0.033	-0.045	6.835	-3.587	-3.587	0.000	0.000	0.000	0.000
480	B	21	ARG	1	0.941	0.954	13.367	-59.074	-59.074	0.000	0.000	0.000	0.000
481	B	22	LEU	0	-0.060	-0.027	16.216	-3.135	-3.135	0.000	0.000	0.000	0.000
482	B	23	THR	0	-0.058	-0.021	13.868	-3.760	-3.760	0.000	0.000	0.000	0.000
483	B	24	TYR	0	-0.010	-0.017	11.101	-0.720	-0.720	0.000	0.000	0.000	0.000
484	B	25	TYR	0	0.018	0.027	16.143	-0.488	-0.488	0.000	0.000	0.000	0.000
485	B	26	THR	0	-0.078	-0.059	19.364	-0.922	-0.922	0.000	0.000	0.000	0.000
486	B	27	PRO	0	0.031	0.023	22.167	-0.284	-0.284	0.000	0.000	0.000	0.000
487	B	28	ASP	-1	-0.888	-0.932	25.368	40.914	40.914	0.000	0.000	0.000	0.000
488	B	29	TYR	0	-0.176	-0.106	23.817	-0.860	-0.860	0.000	0.000	0.000	0.000
489	B	30	VAL	0	0.009	0.010	26.064	-0.337	-0.337	0.000	0.000	0.000	0.000
490	B	31	VAL	0	-0.015	-0.010	24.720	0.611	0.611	0.000	0.000	0.000	0.000
491	B	32	ARG	1	0.953	0.978	25.133	-47.316	-47.316	0.000	0.000	0.000	0.000
492	B	33	ASP	-1	-0.878	-0.945	26.953	39.943	39.943	0.000	0.000	0.000	0.000
493	B	34	THR	0	-0.037	-0.035	25.226	-0.548	-0.548	0.000	0.000	0.000	0.000
494	B	35	ASP	-1	-0.812	-0.879	22.667	52.054	52.054	0.000	0.000	0.000	0.000
495	B	36	ILE	0	0.017	0.012	18.779	-1.979	-1.979	0.000	0.000	0.000	0.000
496	B	37	LEU	0	-0.052	-0.011	20.483	1.762	1.762	0.000	0.000	0.000	0.000
497	B	38	ALA	0	0.033	0.020	17.605	-0.289	-0.289	0.000	0.000	0.000	0.000
498	B	39	ALA	0	0.012	0.016	19.526	-0.484	-0.484	0.000	0.000	0.000	0.000
499	B	40	PHE	0	0.012	-0.004	13.672	0.333	0.333	0.000	0.000	0.000	0.000
500	B	41	ARG	1	0.842	0.923	18.623	-51.319	-51.319	0.000	0.000	0.000	0.000
501	B	42	MET	0	-0.034	-0.016	16.980	4.251	4.251	0.000	0.000	0.000	0.000
502	B	43	THR	0	0.036	0.015	17.478	-4.489	-4.489	0.000	0.000	0.000	0.000
503	B	44	PRO	0	0.041	0.022	17.157	4.181	4.181	0.000	0.000	0.000	0.000
504	B	45	GLN	0	-0.001	0.016	13.737	-7.957	-7.957	0.000	0.000	0.000	0.000
505	B	46	PRO	0	0.034	0.010	17.989	-1.307	-1.307	0.000	0.000	0.000	0.000
506	B	47	GLY	0	-0.011	-0.007	20.448	1.616	1.616	0.000	0.000	0.000	0.000
507	B	48	VAL	0	-0.036	-0.008	15.953	0.984	0.984	0.000	0.000	0.000	0.000
508	B	49	PRO	0	-0.012	0.000	18.583	-1.370	-1.370	0.000	0.000	0.000	0.000
509	B	50	PRO	0	0.083	0.039	19.212	3.709	3.709	0.000	0.000	0.000	0.000
510	B	51	GLU	-1	-0.881	-0.962	19.499	54.669	54.669	0.000	0.000	0.000	0.000
511	B	52	GLU	-1	-0.762	-0.880	14.005	78.362	78.362	0.000	0.000	0.000	0.000
512	B	53	CYS	0	-0.008	-0.002	15.117	5.607	5.607	0.000	0.000	0.000	0.000
513	B	54	GLY	0	0.040	0.008	14.611	4.132	4.132	0.000	0.000	0.000	0.000
514	B	55	ALA	0	-0.021	-0.006	15.527	1.847	1.847	0.000	0.000	0.000	0.000
515	B	56	ALA	0	0.005	0.003	11.101	3.858	3.858	0.000	0.000	0.000	0.000
516	B	57	VAL	0	-0.004	0.007	10.639	8.024	8.024	0.000	0.000	0.000	0.000
517	B	58	ALA	0	0.019	0.028	11.416	3.129	3.129	0.000	0.000	0.000	0.000
518	B	59	ALA	0	0.001	0.017	10.008	1.199	1.199	0.000	0.000	0.000	0.000
519	B	60	GLU	-1	-0.764	-0.888	5.513	179.197	179.197	0.000	0.000	0.000	0.000
520	B	61	SER	0	-0.036	-0.003	7.076	5.333	5.333	0.000	0.000	0.000	0.000
521	B	62	SER	0	-0.037	-0.039	9.732	-7.273	-7.273	0.000	0.000	0.000	0.000
522	B	63	THR	0	-0.006	-0.008	9.989	2.651	2.651	0.000	0.000	0.000	0.000
523	B	64	GLY	0	0.001	0.010	8.020	1.889	1.889	0.000	0.000	0.000	0.000
526	B	67	THR	0	-0.009	0.003	5.228	-21.502	-21.502	0.000	0.000	0.000	0.000
527	B	68	THR	0	-0.051	-0.017	6.740	4.860	4.860	0.000	0.000	0.000	0.000
528	B	69	VAL	0	0.033	0.009	5.755	1.344	1.344	0.000	0.000	0.000	0.000
529	B	70	TRP	0	-0.042	-0.030	8.909	-8.358	-8.358	0.000	0.000	0.000	0.000
530	B	71	THR	0	-0.037	-0.062	9.645	-5.437	-5.437	0.000	0.000	0.000	0.000
531	B	72	ASP	-1	-0.851	-0.928	10.634	86.034	86.034	0.000	0.000	0.000	0.000
532	B	73	GLY	0	-0.050	-0.025	12.935	-3.621	-3.621	0.000	0.000	0.000	0.000
533	B	74	LEU	0	-0.098	-0.043	15.249	-3.732	-3.732	0.000	0.000	0.000	0.000
534	B	75	THR	0	-0.046	-0.028	14.365	-3.370	-3.370	0.000	0.000	0.000	0.000
535	B	76	SER	0	-0.007	0.002	17.364	-1.237	-1.237	0.000	0.000	0.000	0.000
536	B	77	LEU	0	0.080	0.017	12.030	-0.556	-0.556	0.000	0.000	0.000	0.000
537	B	78	ASP	-1	-0.946	-0.964	16.125	54.666	54.666	0.000	0.000	0.000	0.000
538	B	79	ARG	1	0.886	0.953	19.468	-51.797	-51.797	0.000	0.000	0.000	0.000
539	B	80	TYR	0	-0.012	-0.012	15.228	-1.086	-1.086	0.000	0.000	0.000	0.000
540	B	81	LYS	1	0.844	0.930	14.516	-59.381	-59.381	0.000	0.000	0.000	0.000
541	B	82	GLY	0	0.060	0.024	14.558	-3.888	-3.888	0.000	0.000	0.000	0.000
542	B	83	ARG	1	0.838	0.920	16.139	-54.214	-54.214	0.000	0.000	0.000	0.000
543	B	84	CYS	0	-0.007	0.012	17.635	-1.641	-1.641	0.000	0.000	0.000	0.000
544	B	85	TYR	0	0.006	-0.020	19.305	-0.413	-0.413	0.000	0.000	0.000	0.000
545	B	86	ASP	-1	-0.850	-0.926	22.617	42.996	42.996	0.000	0.000	0.000	0.000
546	B	87	ILE	0	-0.058	-0.024	20.866	2.867	2.867	0.000	0.000	0.000	0.000
547	B	88	GLU	-1	-0.790	-0.858	24.077	41.667	41.667	0.000	0.000	0.000	0.000
548	B	89	PRO	0	0.008	-0.004	25.543	1.592	1.592	0.000	0.000	0.000	0.000
549	B	90	VAL	0	-0.023	-0.002	24.791	-1.172	-1.172	0.000	0.000	0.000	0.000
550	B	91	PRO	0	-0.021	-0.033	27.757	-0.676	-0.676	0.000	0.000	0.000	0.000
551	B	92	GLY	0	-0.018	0.002	30.483	0.111	0.111	0.000	0.000	0.000	0.000
552	B	93	GLU	-1	-0.932	-0.959	26.055	44.679	44.679	0.000	0.000	0.000	0.000
553	B	94	ASP	-1	-0.937	-0.965	27.033	45.582	45.582	0.000	0.000	0.000	0.000
554	B	95	ASN	0	-0.057	-0.037	20.818	0.683	0.683	0.000	0.000	0.000	0.000
555	B	96	GLN	0	0.044	0.010	21.811	1.495	1.495	0.000	0.000	0.000	0.000
556	B	97	TYR	0	0.016	0.002	21.530	-2.491	-2.491	0.000	0.000	0.000	0.000
557	B	98	ILE	0	-0.031	-0.009	21.616	2.205	2.205	0.000	0.000	0.000	0.000
558	B	99	ALA	0	0.008	0.003	18.329	-1.252	-1.252	0.000	0.000	0.000	0.000
559	B	100	TYR	0	-0.056	-0.040	19.843	1.119	1.119	0.000	0.000	0.000	0.000
560	B	101	VAL	0	0.009	-0.006	15.531	0.585	0.585	0.000	0.000	0.000	0.000
561	B	102	ALA	0	-0.015	0.000	18.875	-1.426	-1.426	0.000	0.000	0.000	0.000
562	B	103	TYR	0	-0.033	-0.049	13.230	1.147	1.147	0.000	0.000	0.000	0.000
563	B	104	HYP	0	0.009	0.006	17.333	-3.168	-3.168	0.000	0.000	0.000	0.000
564	B	105	ILE	0	0.051	0.016	18.678	2.330	2.330	0.000	0.000	0.000	0.000
565	B	106	ASP	-1	-0.908	-0.965	18.851	53.588	53.588	0.000	0.000	0.000	0.000
566	B	107	LEU	0	-0.091	-0.050	13.863	1.916	1.916	0.000	0.000	0.000	0.000
567	B	108	PHE	0	-0.016	0.005	14.765	4.221	4.221	0.000	0.000	0.000	0.000
568	B	109	GLU	-1	-0.797	-0.892	16.279	58.325	58.325	0.000	0.000	0.000	0.000
569	B	110	GLU	-1	-0.778	-0.876	17.967	51.633	51.633	0.000	0.000	0.000	0.000
570	B	111	GLY	0	0.028	0.022	21.337	0.344	0.344	0.000	0.000	0.000	0.000
571	B	112	SER	0	-0.010	0.000	16.434	-0.022	-0.022	0.000	0.000	0.000	0.000
572	B	113	VAL	0	0.033	0.013	17.597	2.235	2.235	0.000	0.000	0.000	0.000
573	B	114	THR	0	0.006	0.006	13.647	2.048	2.048	0.000	0.000	0.000	0.000
574	B	115	ASN	0	-0.019	-0.007	12.368	2.447	2.447	0.000	0.000	0.000	0.000
575	B	116	MET	0	-0.008	0.014	12.849	3.500	3.500	0.000	0.000	0.000	0.000
576	B	117	PHE	0	0.005	-0.019	12.758	2.250	2.250	0.000	0.000	0.000	0.000
577	B	118	THR	0	-0.008	0.018	8.041	3.530	3.530	0.000	0.000	0.000	0.000
578	B	119	SER	0	0.015	0.012	8.413	11.580	11.580	0.000	0.000	0.000	0.000
579	B	120	ILE	0	-0.048	-0.010	9.859	4.950	4.950	0.000	0.000	0.000	0.000
580	B	121	VAL	0	-0.015	-0.029	10.512	0.290	0.290	0.000	0.000	0.000	0.000
581	B	122	GLY	0	0.021	0.033	6.713	2.947	2.947	0.000	0.000	0.000	0.000
584	B	125	PHE	0	0.014	0.009	8.246	-3.016	-3.016	0.000	0.000	0.000	0.000
585	B	126	GLY	0	0.054	0.020	5.919	-6.893	-6.893	0.000	0.000	0.000	0.000
586	B	127	PHE	0	-0.026	0.001	5.162	3.955	3.955	0.000	0.000	0.000	0.000
587	B	128	LYS	1	0.822	0.903	8.433	-120.308	-120.308	0.000	0.000	0.000	0.000
588	B	129	ALA	0	-0.009	0.004	10.302	-7.538	-7.538	0.000	0.000	0.000	0.000
589	B	130	LEU	0	-0.045	-0.010	10.991	-6.947	-6.947	0.000	0.000	0.000	0.000
590	B	131	ARG	1	0.838	0.896	12.897	-59.130	-59.130	0.000	0.000	0.000	0.000
591	B	132	ALA	0	-0.009	-0.009	14.622	-0.023	-0.023	0.000	0.000	0.000	0.000
592	B	133	LEU	0	-0.016	-0.003	12.422	-0.283	-0.283	0.000	0.000	0.000	0.000
593	B	134	ARG	1	0.836	0.942	15.367	-51.013	-51.013	0.000	0.000	0.000	0.000
594	B	135	LEU	0	-0.028	0.007	15.469	-1.065	-1.065	0.000	0.000	0.000	0.000
595	B	136	GLU	-1	-0.784	-0.893	17.628	48.788	48.788	0.000	0.000	0.000	0.000
596	B	137	ASP	-1	-0.796	-0.915	20.969	44.349	44.349	0.000	0.000	0.000	0.000
597	B	138	LEU	0	0.005	-0.007	17.400	2.659	2.659	0.000	0.000	0.000	0.000
598	B	139	ARG	1	0.862	0.956	21.552	-47.562	-47.562	0.000	0.000	0.000	0.000
599	B	140	ILE	0	-0.006	-0.021	21.052	1.820	1.820	0.000	0.000	0.000	0.000
600	B	141	PRO	0	0.024	0.032	23.530	-2.004	-2.004	0.000	0.000	0.000	0.000
601	B	142	PRO	0	0.122	0.042	26.608	0.794	0.794	0.000	0.000	0.000	0.000
602	B	143	ALA	0	-0.019	-0.017	27.089	-0.104	-0.104	0.000	0.000	0.000	0.000
603	B	144	TYR	0	0.003	-0.015	18.890	0.626	0.626	0.000	0.000	0.000	0.000
604	B	145	VAL	0	0.030	0.025	24.796	0.454	0.454	0.000	0.000	0.000	0.000
605	B	146	LYS	1	0.940	0.963	26.853	-36.220	-36.220	0.000	0.000	0.000	0.000
606	B	147	THR	0	-0.101	-0.046	24.009	-0.068	-0.068	0.000	0.000	0.000	0.000
607	B	148	PHE	0	-0.008	-0.008	20.748	0.938	0.938	0.000	0.000	0.000	0.000
608	B	149	VAL	0	-0.021	-0.005	26.388	-1.327	-1.327	0.000	0.000	0.000	0.000
609	B	150	GLY	0	0.017	0.014	27.632	-1.283	-1.283	0.000	0.000	0.000	0.000
610	B	151	HYP	0	-0.037	-0.034	28.882	0.000	0.000	0.000	0.000	0.000	0.000
611	B	152	PRO	0	-0.041	0.002	30.529	-0.657	-0.657	0.000	0.000	0.000	0.000
612	B	153	HIS	0	-0.051	-0.029	33.394	-1.524	-1.524	0.000	0.000	0.000	0.000
613	B	154	GLY	0	0.053	0.022	35.330	-0.253	-0.253	0.000	0.000	0.000	0.000
614	B	155	ILE	0	-0.026	-0.017	36.138	-0.881	-0.881	0.000	0.000	0.000	0.000
615	B	156	GLN	0	-0.048	-0.015	38.767	-0.230	-0.230	0.000	0.000	0.000	0.000
616	B	157	VAL	0	0.062	0.032	39.563	-0.629	-0.629	0.000	0.000	0.000	0.000
617	B	158	GLU	-1	-0.805	-0.878	38.042	30.738	30.738	0.000	0.000	0.000	0.000
618	B	159	ARG	1	0.804	0.883	40.977	-28.042	-28.042	0.000	0.000	0.000	0.000
619	B	160	ASP	-1	-0.809	-0.884	44.087	25.769	25.769	0.000	0.000	0.000	0.000
620	B	161	LYS	1	0.800	0.914	40.272	-29.874	-29.874	0.000	0.000	0.000	0.000
621	B	162	LEU	0	-0.031	-0.020	41.708	-0.510	-0.510	0.000	0.000	0.000	0.000
622	B	163	ASN	0	-0.018	-0.002	45.972	-0.421	-0.421	0.000	0.000	0.000	0.000
623	B	164	LYS	1	0.748	0.879	45.325	-25.955	-25.955	0.000	0.000	0.000	0.000
624	B	165	TYR	0	0.001	-0.030	46.788	0.439	0.439	0.000	0.000	0.000	0.000
625	B	166	GLY	0	0.024	0.021	48.324	-0.447	-0.447	0.000	0.000	0.000	0.000
626	B	167	ARG	1	0.772	0.873	46.743	-25.601	-25.601	0.000	0.000	0.000	0.000
627	B	168	GLY	0	0.051	0.040	43.693	0.379	0.379	0.000	0.000	0.000	0.000
628	B	169	LEU	0	-0.029	-0.016	40.980	-0.607	-0.607	0.000	0.000	0.000	0.000
629	B	170	LEU	0	0.002	0.002	42.303	0.378	0.378	0.000	0.000	0.000	0.000
630	B	171	GLY	0	0.042	0.004	39.994	-0.157	-0.157	0.000	0.000	0.000	0.000
631	B	172	CYS	0	-0.074	-0.021	39.849	-0.391	-0.391	0.000	0.000	0.000	0.000
632	B	173	THR	0	0.114	0.038	34.655	-0.223	-0.223	0.000	0.000	0.000	0.000
633	B	174	ILE	0	-0.002	-0.010	37.635	-0.686	-0.686	0.000	0.000	0.000	0.000
634	B	175	LYS	1	0.848	0.921	34.798	-32.080	-32.080	0.000	0.000	0.000	0.000
635	B	176	PRO	0	0.032	0.030	38.149	-0.890	-0.890	0.000	0.000	0.000	0.000
636	B	177	LYS	1	0.759	0.888	30.623	-36.352	-36.352	0.000	0.000	0.000	0.000
637	B	178	LEU	0	-0.025	-0.011	30.531	0.110	0.110	0.000	0.000	0.000	0.000
638	B	179	GLY	0	0.058	0.023	35.204	-0.556	-0.556	0.000	0.000	0.000	0.000
639	B	180	LEU	0	-0.053	-0.005	38.165	-0.963	-0.963	0.000	0.000	0.000	0.000
640	B	181	SER	0	0.055	0.023	39.582	0.452	0.452	0.000	0.000	0.000	0.000
641	B	182	ALA	0	0.109	0.044	41.130	-0.070	-0.070	0.000	0.000	0.000	0.000
642	B	183	LYS	1	0.946	0.979	42.068	-23.875	-23.875	0.000	0.000	0.000	0.000
643	B	184	ASN	0	-0.021	-0.032	44.318	-0.850	-0.850	0.000	0.000	0.000	0.000
644	B	185	TYR	0	0.092	0.050	36.443	-0.195	-0.195	0.000	0.000	0.000	0.000
645	B	186	GLY	0	0.064	0.035	42.554	-0.041	-0.041	0.000	0.000	0.000	0.000
646	B	187	ARG	1	0.905	0.953	44.911	-24.188	-24.188	0.000	0.000	0.000	0.000
647	B	188	ALA	0	-0.011	-0.007	43.742	-0.408	-0.408	0.000	0.000	0.000	0.000
648	B	189	VAL	0	0.066	0.024	41.987	-0.198	-0.198	0.000	0.000	0.000	0.000
649	B	190	TYR	0	-0.087	-0.080	44.694	-0.302	-0.302	0.000	0.000	0.000	0.000
650	B	191	GLU	-1	-0.902	-0.957	48.289	22.578	22.578	0.000	0.000	0.000	0.000
651	B	192	CYS	0	-0.036	-0.014	43.735	-0.340	-0.340	0.000	0.000	0.000	0.000
652	B	193	LEU	0	0.032	0.017	43.907	-0.301	-0.301	0.000	0.000	0.000	0.000
653	B	194	ARG	1	0.719	0.837	47.587	-22.427	-22.427	0.000	0.000	0.000	0.000
654	B	195	GLY	0	-0.041	-0.018	50.367	-0.466	-0.466	0.000	0.000	0.000	0.000
655	B	196	GLY	0	0.020	0.011	50.169	-0.220	-0.220	0.000	0.000	0.000	0.000
656	B	197	LEU	0	-0.022	0.000	43.771	0.125	0.125	0.000	0.000	0.000	0.000
657	B	198	ASP	-1	-0.753	-0.828	43.790	25.752	25.752	0.000	0.000	0.000	0.000
658	B	199	PHE	0	0.020	-0.002	39.947	0.052	0.052	0.000	0.000	0.000	0.000
659	B	200	THR	0	-0.040	-0.048	40.580	-0.513	-0.513	0.000	0.000	0.000	0.000
660	B	201	KCX	-1	-0.523	-0.794	32.366	36.134	36.134	0.000	0.000	0.000	0.000
661	B	202	ASP	-1	-0.690	-0.825	33.593	32.074	32.074	0.000	0.000	0.000	0.000
662	B	203	ASP	0	0.204	0.043	32.995	0.408	0.408	0.000	0.000	0.000	0.000
663	B	204	GLU	0	0.152	-0.025	27.402	-0.024	-0.024	0.000	0.000	0.000	0.000
664	B	1476	merge:B:AS	-1	-1.778	-1.091	27.249	35.862	35.862	0.000	0.000	0.000	0.000
665	B	205	ASN	0	0.006	-0.006	27.729	-0.025	-0.025	0.000	0.000	0.000	0.000
666	B	206	VAL	0	-0.053	-0.006	28.800	-0.243	-0.243	0.000	0.000	0.000	0.000
667	B	207	ASN	0	-0.016	0.000	26.926	1.565	1.565	0.000	0.000	0.000	0.000
668	B	208	SER	0	0.022	0.000	30.418	-1.867	-1.867	0.000	0.000	0.000	0.000
669	B	209	GLN	0	0.025	0.002	30.198	0.345	0.345	0.000	0.000	0.000	0.000
670	B	210	PRO	0	0.001	0.000	32.730	-1.099	-1.099	0.000	0.000	0.000	0.000
671	B	211	PHE	0	-0.021	0.002	33.589	-0.976	-0.976	0.000	0.000	0.000	0.000
672	B	212	MET	0	-0.075	-0.019	36.338	-1.281	-1.281	0.000	0.000	0.000	0.000
673	B	213	ARG	1	0.830	0.908	32.668	-32.691	-32.691	0.000	0.000	0.000	0.000
674	B	214	TRP	0	0.055	0.011	33.499	-0.966	-0.966	0.000	0.000	0.000	0.000
675	B	215	ARG	1	0.966	0.991	35.901	-29.073	-29.073	0.000	0.000	0.000	0.000
676	B	216	ASP	-1	-0.893	-0.949	38.670	27.735	27.735	0.000	0.000	0.000	0.000
677	B	217	ARG	1	0.786	0.866	33.475	-33.755	-33.755	0.000	0.000	0.000	0.000
678	B	218	PHE	0	0.009	-0.005	34.109	-0.569	-0.569	0.000	0.000	0.000	0.000
679	B	219	LEU	0	0.026	0.012	40.068	-0.484	-0.484	0.000	0.000	0.000	0.000
680	B	220	PHE	0	-0.006	-0.010	43.580	-0.668	-0.668	0.000	0.000	0.000	0.000
681	B	221	VAL	0	-0.015	-0.007	40.244	-0.534	-0.534	0.000	0.000	0.000	0.000
682	B	222	ALA	0	0.036	0.029	43.314	-0.311	-0.311	0.000	0.000	0.000	0.000
683	B	223	GLU	-1	-0.987	-0.988	44.886	23.186	23.186	0.000	0.000	0.000	0.000
684	B	224	ALA	0	-0.037	-0.025	45.705	-0.528	-0.528	0.000	0.000	0.000	0.000
685	B	225	ILE	0	0.018	0.007	42.166	-0.378	-0.378	0.000	0.000	0.000	0.000
686	B	226	TYR	0	-0.030	-0.035	46.003	-0.481	-0.481	0.000	0.000	0.000	0.000
687	B	227	LYS	1	0.906	0.976	49.775	-22.586	-22.586	0.000	0.000	0.000	0.000
688	B	228	ALA	0	0.017	-0.003	48.987	-0.478	-0.478	0.000	0.000	0.000	0.000
689	B	229	GLN	0	0.043	0.033	48.704	0.163	0.163	0.000	0.000	0.000	0.000
690	B	230	ALA	0	-0.015	-0.004	51.342	-0.390	-0.390	0.000	0.000	0.000	0.000
691	B	231	GLU	-1	-0.814	-0.871	54.345	21.560	21.560	0.000	0.000	0.000	0.000
692	B	232	THR	0	-0.022	-0.023	52.163	-0.277	-0.277	0.000	0.000	0.000	0.000
693	B	233	GLY	0	0.001	0.010	54.723	-0.281	-0.281	0.000	0.000	0.000	0.000
694	B	234	GLU	-1	-0.759	-0.855	50.576	23.491	23.491	0.000	0.000	0.000	0.000
695	B	235	VAL	0	0.009	0.003	46.079	0.058	0.058	0.000	0.000	0.000	0.000
696	B	236	LYS	1	0.831	0.925	46.017	-24.499	-24.499	0.000	0.000	0.000	0.000
697	B	237	GLY	0	0.031	0.004	42.135	0.097	0.097	0.000	0.000	0.000	0.000
698	B	238	HIS	0	-0.021	-0.007	37.605	-0.857	-0.857	0.000	0.000	0.000	0.000
699	B	239	TYR	0	-0.011	-0.018	34.441	-0.117	-0.117	0.000	0.000	0.000	0.000
700	B	240	LEU	0	-0.020	-0.002	35.485	0.247	0.247	0.000	0.000	0.000	0.000
701	B	241	ASN	0	0.004	-0.012	28.970	1.303	1.303	0.000	0.000	0.000	0.000
702	B	242	ALA	0	-0.020	-0.015	29.860	-0.461	-0.461	0.000	0.000	0.000	0.000
703	B	243	THR	0	-0.002	0.004	24.425	1.293	1.293	0.000	0.000	0.000	0.000
704	B	244	ALA	0	0.003	-0.002	25.203	-1.220	-1.220	0.000	0.000	0.000	0.000
705	B	245	GLY	0	0.033	0.016	22.924	1.734	1.734	0.000	0.000	0.000	0.000
706	B	246	THR	0	0.025	0.016	21.988	1.624	1.624	0.000	0.000	0.000	0.000
707	B	248	GLU	-1	-0.814	-0.894	24.893	43.850	43.850	0.000	0.000	0.000	0.000
708	B	249	GLU	-1	-0.888	-0.951	27.315	35.229	35.229	0.000	0.000	0.000	0.000
709	B	250	MET	0	-0.025	0.002	25.611	-0.986	-0.986	0.000	0.000	0.000	0.000
710	B	251	MET	0	-0.007	-0.004	27.422	-1.720	-1.720	0.000	0.000	0.000	0.000
711	B	252	LYS	1	0.897	0.956	30.623	-36.278	-36.278	0.000	0.000	0.000	0.000
712	B	253	ARG	1	0.737	0.862	29.649	-39.019	-39.019	0.000	0.000	0.000	0.000
713	B	254	ALA	0	0.062	0.027	32.008	-1.009	-1.009	0.000	0.000	0.000	0.000
714	B	255	VAL	0	-0.017	-0.002	33.916	-0.958	-0.958	0.000	0.000	0.000	0.000
715	B	256	SMC	0	-0.054	-0.006	36.566	-1.034	-1.034	0.000	0.000	0.000	0.000
716	B	257	ALA	0	0.041	0.008	36.937	-0.873	-0.873	0.000	0.000	0.000	0.000
717	B	258	LYS	1	0.888	0.930	38.145	-30.668	-30.668	0.000	0.000	0.000	0.000
718	B	259	GLU	-1	-1.018	-1.016	39.903	28.301	28.301	0.000	0.000	0.000	0.000
719	B	260	LEU	0	-0.063	-0.024	40.980	-0.792	-0.792	0.000	0.000	0.000	0.000
720	B	261	GLY	0	0.009	0.018	43.170	-0.654	-0.654	0.000	0.000	0.000	0.000
721	B	262	VAL	0	-0.040	-0.010	39.977	-0.306	-0.306	0.000	0.000	0.000	0.000
722	B	263	PRO	0	0.033	0.007	41.169	0.543	0.543	0.000	0.000	0.000	0.000
723	B	264	ILE	0	-0.041	-0.014	36.104	0.374	0.374	0.000	0.000	0.000	0.000
724	B	265	ILE	0	0.003	0.012	31.959	-0.313	-0.313	0.000	0.000	0.000	0.000
725	B	266	MET	0	-0.043	-0.003	30.001	-0.362	-0.362	0.000	0.000	0.000	0.000
726	B	267	HIS	0	-0.032	-0.029	22.934	0.326	0.326	0.000	0.000	0.000	0.000
727	B	268	ASP	-1	-0.768	-0.893	24.058	41.857	41.857	0.000	0.000	0.000	0.000
728	B	269	TYR	0	-0.041	-0.035	21.568	1.489	1.489	0.000	0.000	0.000	0.000
729	B	270	LEU	0	-0.039	-0.008	18.033	2.265	2.265	0.000	0.000	0.000	0.000
730	B	271	THR	0	-0.026	-0.020	17.965	2.431	2.431	0.000	0.000	0.000	0.000
731	B	272	GLY	0	0.014	0.019	19.198	0.991	0.991	0.000	0.000	0.000	0.000
732	B	273	GLY	0	0.000	-0.009	17.950	2.129	2.129	0.000	0.000	0.000	0.000
733	B	274	PHE	0	0.079	0.015	16.491	-3.214	-3.214	0.000	0.000	0.000	0.000
734	B	275	THR	0	-0.004	0.021	17.272	-1.318	-1.318	0.000	0.000	0.000	0.000
735	B	276	ALA	0	0.018	-0.010	19.536	-2.350	-2.350	0.000	0.000	0.000	0.000
736	B	277	ASN	0	0.038	0.015	21.904	-2.944	-2.944	0.000	0.000	0.000	0.000
737	B	278	THR	0	0.019	0.022	21.518	-2.069	-2.069	0.000	0.000	0.000	0.000
738	B	279	SER	0	-0.019	-0.025	23.877	-0.776	-0.776	0.000	0.000	0.000	0.000
739	B	280	LEU	0	-0.004	0.001	25.680	-1.891	-1.891	0.000	0.000	0.000	0.000
740	B	281	ALA	0	0.042	0.017	27.337	-1.783	-1.783	0.000	0.000	0.000	0.000
741	B	282	ILE	0	-0.001	-0.002	26.145	-1.383	-1.383	0.000	0.000	0.000	0.000
742	B	283	TYR	0	0.036	0.016	29.924	-1.660	-1.660	0.000	0.000	0.000	0.000
743	B	284	CYS	0	-0.031	-0.015	31.856	-1.383	-1.383	0.000	0.000	0.000	0.000
744	B	285	ARG	1	0.847	0.913	32.964	-36.174	-36.174	0.000	0.000	0.000	0.000
745	B	286	ASP	-1	-0.930	-0.959	33.351	33.786	33.786	0.000	0.000	0.000	0.000
746	B	287	ASN	0	-0.113	-0.052	35.236	-1.868	-1.868	0.000	0.000	0.000	0.000
747	B	288	GLY	0	-0.030	0.006	37.818	-0.727	-0.727	0.000	0.000	0.000	0.000
748	B	289	LEU	0	-0.022	-0.013	35.619	-0.582	-0.582	0.000	0.000	0.000	0.000
749	B	290	LEU	0	-0.010	-0.010	35.953	0.614	0.614	0.000	0.000	0.000	0.000
750	B	291	LEU	0	0.014	-0.001	28.713	0.036	0.036	0.000	0.000	0.000	0.000
751	B	292	HIS	0	-0.003	-0.002	31.594	-0.114	-0.114	0.000	0.000	0.000	0.000
752	B	293	ILE	0	0.007	0.004	25.954	0.656	0.656	0.000	0.000	0.000	0.000
753	B	294	HIS	0	0.084	0.017	27.248	0.656	0.656	0.000	0.000	0.000	0.000
754	B	295	ARG	1	0.784	0.854	24.283	-39.555	-39.555	0.000	0.000	0.000	0.000
755	B	296	ALA	0	0.024	0.011	23.491	1.414	1.414	0.000	0.000	0.000	0.000
756	B	297	MET	0	-0.006	-0.015	14.945	1.396	1.396	0.000	0.000	0.000	0.000
757	B	298	HIS	1	0.857	0.906	19.577	-43.705	-43.705	0.000	0.000	0.000	0.000
758	B	299	ALA	0	0.017	0.026	20.424	1.388	1.388	0.000	0.000	0.000	0.000
759	B	300	VAL	0	-0.044	-0.005	16.197	0.341	0.341	0.000	0.000	0.000	0.000
760	B	301	ILE	0	-0.035	-0.019	15.207	2.482	2.482	0.000	0.000	0.000	0.000
761	B	302	ASP	-1	-0.789	-0.896	17.472	49.917	49.917	0.000	0.000	0.000	0.000
762	B	303	ARG	1	0.808	0.918	20.692	-43.741	-43.741	0.000	0.000	0.000	0.000
763	B	304	GLN	0	-0.017	-0.017	20.052	-2.333	-2.333	0.000	0.000	0.000	0.000
764	B	305	ARG	1	0.949	0.976	21.289	-42.644	-42.644	0.000	0.000	0.000	0.000
765	B	306	ASN	0	-0.022	-0.024	19.030	-0.110	-0.110	0.000	0.000	0.000	0.000
766	B	307	HIS	0	-0.005	-0.023	11.999	-0.556	-0.556	0.000	0.000	0.000	0.000
767	B	308	GLY	0	0.031	0.037	15.274	-2.021	-2.021	0.000	0.000	0.000	0.000
768	B	309	ILE	0	-0.037	-0.030	13.993	1.778	1.778	0.000	0.000	0.000	0.000
769	B	310	HIS	0	0.051	0.035	17.932	-1.261	-1.261	0.000	0.000	0.000	0.000
770	B	311	PHE	0	0.071	0.016	21.471	0.732	0.732	0.000	0.000	0.000	0.000
771	B	312	ARG	1	0.896	0.935	23.460	-46.262	-46.262	0.000	0.000	0.000	0.000
772	B	313	VAL	0	-0.023	0.002	18.360	-0.551	-0.551	0.000	0.000	0.000	0.000
773	B	314	LEU	0	-0.012	-0.008	17.921	0.430	0.430	0.000	0.000	0.000	0.000
774	B	315	ALA	0	0.005	0.018	21.401	-0.500	-0.500	0.000	0.000	0.000	0.000
775	B	316	LYS	1	0.841	0.920	23.080	-46.787	-46.787	0.000	0.000	0.000	0.000
776	B	317	ALA	0	0.019	0.005	19.854	-0.507	-0.507	0.000	0.000	0.000	0.000
777	B	318	LEU	0	0.004	0.005	21.750	-0.100	-0.100	0.000	0.000	0.000	0.000
778	B	319	ARG	1	0.773	0.900	24.203	-38.331	-38.331	0.000	0.000	0.000	0.000
779	B	320	MET	0	-0.012	-0.005	21.143	-0.762	-0.762	0.000	0.000	0.000	0.000
780	B	321	SER	0	-0.061	-0.037	21.965	-0.712	-0.712	0.000	0.000	0.000	0.000
781	B	322	GLY	0	0.025	0.003	23.925	-0.703	-0.703	0.000	0.000	0.000	0.000
782	B	323	GLY	0	0.016	-0.018	27.454	0.666	0.666	0.000	0.000	0.000	0.000
783	B	324	ASP	-1	-0.726	-0.852	29.772	34.061	34.061	0.000	0.000	0.000	0.000
784	B	325	HIS	1	0.742	0.848	32.466	-33.639	-33.639	0.000	0.000	0.000	0.000
785	B	326	LEU	0	0.016	0.005	26.308	1.148	1.148	0.000	0.000	0.000	0.000
786	B	327	HIS	0	0.180	0.175	28.940	-1.114	-1.114	0.000	0.000	0.000	0.000
787	B	328	SER	0	0.012	-0.009	29.076	1.135	1.135	0.000	0.000	0.000	0.000
788	B	329	GLY	0	0.021	0.021	31.044	0.537	0.537	0.000	0.000	0.000	0.000
789	B	330	THR	0	0.029	0.008	32.018	-0.826	-0.826	0.000	0.000	0.000	0.000
790	B	331	ALA	0	0.071	0.056	34.524	-1.022	-1.022	0.000	0.000	0.000	0.000
791	B	332	VAL	0	-0.048	-0.039	36.088	-0.009	-0.009	0.000	0.000	0.000	0.000
792	B	333	GLY	0	-0.001	0.011	36.746	-0.604	-0.604	0.000	0.000	0.000	0.000
793	B	334	LYS	1	0.771	0.873	33.148	-33.429	-33.429	0.000	0.000	0.000	0.000
794	B	335	LEU	0	-0.011	0.001	29.001	0.555	0.555	0.000	0.000	0.000	0.000
795	B	336	GLU	-1	-0.795	-0.898	28.303	39.609	39.609	0.000	0.000	0.000	0.000
796	B	337	GLY	0	0.029	0.000	29.798	0.975	0.975	0.000	0.000	0.000	0.000
797	B	338	GLU	-1	-0.829	-0.904	31.390	33.176	33.176	0.000	0.000	0.000	0.000
798	B	339	ARG	1	0.903	0.947	33.887	-28.984	-28.984	0.000	0.000	0.000	0.000
799	B	340	GLU	-1	-0.873	-0.942	35.630	31.817	31.817	0.000	0.000	0.000	0.000
800	B	341	VAL	0	-0.015	-0.001	29.015	0.601	0.601	0.000	0.000	0.000	0.000
801	B	342	THR	0	-0.030	-0.005	31.628	0.794	0.794	0.000	0.000	0.000	0.000
802	B	343	LEU	0	0.016	0.001	33.141	0.237	0.237	0.000	0.000	0.000	0.000
803	B	344	SER	0	-0.073	-0.039	30.658	0.429	0.429	0.000	0.000	0.000	0.000
804	B	345	PHE	0	-0.011	-0.016	27.130	0.909	0.909	0.000	0.000	0.000	0.000
805	B	346	VAL	0	-0.015	-0.008	30.663	0.200	0.200	0.000	0.000	0.000	0.000
806	B	347	ASP	-1	-0.759	-0.862	33.958	32.880	32.880	0.000	0.000	0.000	0.000
807	B	348	LEU	0	-0.070	-0.031	27.525	0.415	0.415	0.000	0.000	0.000	0.000
808	B	349	MET	0	-0.052	-0.008	29.679	0.539	0.539	0.000	0.000	0.000	0.000
809	B	350	ARG	1	0.826	0.902	31.209	-31.717	-31.717	0.000	0.000	0.000	0.000
810	B	351	ASP	-1	-0.874	-0.922	34.561	31.896	31.896	0.000	0.000	0.000	0.000
811	B	352	ASP	-1	-0.878	-0.945	33.988	34.704	34.704	0.000	0.000	0.000	0.000
812	B	353	TYR	0	-0.025	-0.019	34.092	1.085	1.085	0.000	0.000	0.000	0.000
813	B	354	VAL	0	-0.017	0.005	31.909	-0.643	-0.643	0.000	0.000	0.000	0.000
814	B	355	GLU	-1	-0.886	-0.958	32.602	35.314	35.314	0.000	0.000	0.000	0.000
815	B	356	LYS	1	0.919	0.962	30.161	-39.399	-39.399	0.000	0.000	0.000	0.000
816	B	357	ASP	-1	-0.787	-0.880	31.969	32.873	32.873	0.000	0.000	0.000	0.000
817	B	358	ARG	1	0.846	0.901	28.232	-41.658	-41.658	0.000	0.000	0.000	0.000
818	B	359	SER	0	-0.095	-0.058	32.121	0.451	0.451	0.000	0.000	0.000	0.000
819	B	360	ARG	1	0.904	0.941	33.160	-34.110	-34.110	0.000	0.000	0.000	0.000
820	B	361	GLY	0	-0.052	-0.025	29.216	0.703	0.703	0.000	0.000	0.000	0.000
821	B	362	ILE	0	-0.028	0.002	27.709	1.889	1.889	0.000	0.000	0.000	0.000
822	B	363	TYR	0	-0.035	-0.035	25.468	-0.834	-0.834	0.000	0.000	0.000	0.000
823	B	364	PHE	0	-0.052	-0.038	22.649	-0.208	-0.208	0.000	0.000	0.000	0.000
824	B	365	THR	0	0.042	0.028	28.130	-0.089	-0.089	0.000	0.000	0.000	0.000
825	B	366	GLN	0	-0.050	-0.019	26.396	2.897	2.897	0.000	0.000	0.000	0.000
826	B	367	ASP	-1	-0.856	-0.929	29.776	34.711	34.711	0.000	0.000	0.000	0.000
827	B	368	TRP	0	-0.022	-0.029	25.994	2.139	2.139	0.000	0.000	0.000	0.000
828	B	369	SMC	0	-0.037	-0.010	31.422	0.074	0.074	0.000	0.000	0.000	0.000
829	B	370	SER	0	-0.029	-0.027	33.700	-0.364	-0.364	0.000	0.000	0.000	0.000
830	B	371	MET	0	-0.065	0.000	27.252	-0.076	-0.076	0.000	0.000	0.000	0.000
831	B	372	PRO	0	0.026	0.016	32.639	-0.320	-0.320	0.000	0.000	0.000	0.000
832	B	373	GLY	0	0.045	0.031	32.794	1.141	1.141	0.000	0.000	0.000	0.000
833	B	374	VAL	0	-0.021	-0.024	29.799	-0.537	-0.537	0.000	0.000	0.000	0.000
834	B	375	MET	0	0.010	0.002	33.190	-0.393	-0.393	0.000	0.000	0.000	0.000
835	B	376	PRO	0	0.028	0.016	33.393	0.789	0.789	0.000	0.000	0.000	0.000
836	B	377	VAL	0	-0.046	-0.020	33.128	-1.155	-1.155	0.000	0.000	0.000	0.000
837	B	378	ALA	0	0.034	0.033	33.561	0.953	0.953	0.000	0.000	0.000	0.000
838	B	379	SER	0	0.004	-0.030	33.541	-1.218	-1.218	0.000	0.000	0.000	0.000
839	B	380	GLY	0	0.083	0.036	33.942	0.802	0.802	0.000	0.000	0.000	0.000
840	B	381	GLY	0	-0.036	-0.025	35.178	0.033	0.033	0.000	0.000	0.000	0.000
841	B	382	ILE	0	-0.048	-0.010	38.031	-0.469	-0.469	0.000	0.000	0.000	0.000
842	B	383	HIS	0	0.020	-0.022	40.445	-0.581	-0.581	0.000	0.000	0.000	0.000
843	B	384	VAL	0	0.057	0.019	44.140	0.049	0.049	0.000	0.000	0.000	0.000
844	B	385	TRP	0	-0.076	-0.039	47.233	-0.479	-0.479	0.000	0.000	0.000	0.000
845	B	386	HIS	0	0.028	0.023	41.830	-0.152	-0.152	0.000	0.000	0.000	0.000
846	B	387	MET	0	-0.030	0.008	44.434	0.522	0.522	0.000	0.000	0.000	0.000
847	B	388	PRO	0	0.018	0.003	45.969	0.166	0.166	0.000	0.000	0.000	0.000
848	B	389	ALA	0	0.017	0.015	43.180	0.117	0.117	0.000	0.000	0.000	0.000
849	B	390	LEU	0	0.000	0.000	39.708	0.481	0.481	0.000	0.000	0.000	0.000
850	B	391	VAL	0	0.011	-0.008	42.427	0.381	0.381	0.000	0.000	0.000	0.000
851	B	392	GLU	-1	-0.917	-0.951	44.222	27.537	27.537	0.000	0.000	0.000	0.000
852	B	393	ILE	0	-0.015	0.005	38.303	0.252	0.252	0.000	0.000	0.000	0.000
853	B	394	PHE	0	-0.030	-0.019	35.687	0.464	0.464	0.000	0.000	0.000	0.000
854	B	395	GLY	0	0.024	0.030	40.726	0.137	0.137	0.000	0.000	0.000	0.000
855	B	396	ASP	-1	-0.835	-0.927	43.353	25.944	25.944	0.000	0.000	0.000	0.000
856	B	397	ASP	-1	-0.883	-0.925	39.996	28.687	28.687	0.000	0.000	0.000	0.000
857	B	398	ALA	0	0.063	0.018	38.430	0.922	0.922	0.000	0.000	0.000	0.000
858	B	399	CYS	0	-0.066	-0.008	37.453	-1.037	-1.037	0.000	0.000	0.000	0.000
859	B	400	LEU	0	0.005	0.001	38.020	0.670	0.670	0.000	0.000	0.000	0.000
860	B	401	GLN	0	0.041	-0.007	34.566	-0.764	-0.764	0.000	0.000	0.000	0.000
861	B	402	PHE	0	0.022	0.006	38.925	0.280	0.280	0.000	0.000	0.000	0.000
862	B	403	GLY	0	0.076	0.041	38.885	-0.537	-0.537	0.000	0.000	0.000	0.000
863	B	404	GLY	0	0.035	-0.007	39.431	-0.814	-0.814	0.000	0.000	0.000	0.000
864	B	405	GLY	0	-0.034	-0.017	41.353	-0.687	-0.687	0.000	0.000	0.000	0.000
865	B	406	THR	0	-0.041	-0.034	43.405	-0.841	-0.841	0.000	0.000	0.000	0.000
866	B	407	LEU	0	-0.028	-0.030	41.539	-0.678	-0.678	0.000	0.000	0.000	0.000
867	B	408	GLY	0	0.049	0.024	44.995	-0.208	-0.208	0.000	0.000	0.000	0.000
868	B	409	HIS	0	-0.020	0.002	45.988	-0.326	-0.326	0.000	0.000	0.000	0.000
869	B	410	PRO	0	0.008	-0.005	49.267	-0.076	-0.076	0.000	0.000	0.000	0.000
870	B	411	TRP	0	-0.056	-0.057	52.213	-0.417	-0.417	0.000	0.000	0.000	0.000
871	B	412	GLY	0	0.032	0.027	50.399	-0.276	-0.276	0.000	0.000	0.000	0.000
872	B	413	ASN	0	0.035	0.009	45.912	-0.015	-0.015	0.000	0.000	0.000	0.000
873	B	414	ALA	0	0.050	0.046	48.920	0.157	0.157	0.000	0.000	0.000	0.000
874	B	415	PRO	0	-0.013	-0.024	51.549	-0.040	-0.040	0.000	0.000	0.000	0.000
875	B	416	GLY	0	0.030	0.010	48.853	-0.028	-0.028	0.000	0.000	0.000	0.000
876	B	417	ALA	0	-0.019	0.001	47.804	0.230	0.230	0.000	0.000	0.000	0.000
877	B	418	ALA	0	0.034	0.027	48.781	0.100	0.100	0.000	0.000	0.000	0.000
878	B	419	ALA	0	-0.045	-0.019	50.463	-0.132	-0.132	0.000	0.000	0.000	0.000
879	B	420	ASN	0	0.009	-0.005	45.815	-0.061	-0.061	0.000	0.000	0.000	0.000
880	B	421	ARG	1	0.743	0.851	48.453	-23.706	-23.706	0.000	0.000	0.000	0.000
881	B	422	VAL	0	-0.022	-0.007	50.062	-0.131	-0.131	0.000	0.000	0.000	0.000
882	B	423	ALA	0	0.001	0.001	49.388	-0.154	-0.154	0.000	0.000	0.000	0.000
883	B	424	LEU	0	0.027	0.008	46.046	-0.054	-0.054	0.000	0.000	0.000	0.000
884	B	425	GLU	-1	-0.738	-0.866	49.133	22.820	22.820	0.000	0.000	0.000	0.000
885	B	426	ALA	0	-0.009	-0.005	52.296	-0.263	-0.263	0.000	0.000	0.000	0.000
886	B	427	CYS	0	-0.051	-0.023	49.688	-0.185	-0.185	0.000	0.000	0.000	0.000
887	B	428	THR	0	-0.002	-0.007	49.651	0.151	0.151	0.000	0.000	0.000	0.000
888	B	429	GLN	0	-0.009	-0.007	51.406	-0.356	-0.356	0.000	0.000	0.000	0.000
889	B	430	ALA	0	-0.021	-0.010	54.091	-0.238	-0.238	0.000	0.000	0.000	0.000
890	B	431	ARG	1	0.841	0.913	47.572	-25.104	-25.104	0.000	0.000	0.000	0.000
891	B	432	ASN	0	-0.030	-0.027	52.709	0.334	0.334	0.000	0.000	0.000	0.000
892	B	433	GLU	-1	-0.964	-0.987	54.873	20.527	20.527	0.000	0.000	0.000	0.000
893	B	434	GLY	0	-0.018	0.004	55.964	-0.345	-0.345	0.000	0.000	0.000	0.000
894	B	435	ARG	1	0.854	0.941	55.790	-21.353	-21.353	0.000	0.000	0.000	0.000
895	B	436	ASP	-1	-0.861	-0.926	51.139	24.607	24.607	0.000	0.000	0.000	0.000
896	B	437	LEU	0	-0.004	-0.015	48.745	-0.146	-0.146	0.000	0.000	0.000	0.000
897	B	438	ALA	0	0.027	0.028	48.359	0.090	0.090	0.000	0.000	0.000	0.000
898	B	439	ARG	1	0.889	0.945	49.332	-23.037	-23.037	0.000	0.000	0.000	0.000
899	B	440	GLU	-1	-0.850	-0.948	52.751	21.243	21.243	0.000	0.000	0.000	0.000
900	B	441	GLY	0	0.043	0.023	50.838	-0.212	-0.212	0.000	0.000	0.000	0.000
901	B	442	GLY	0	-0.028	-0.026	51.888	-0.085	-0.085	0.000	0.000	0.000	0.000
902	B	443	ASP	-1	-0.864	-0.940	53.249	21.179	21.179	0.000	0.000	0.000	0.000
903	B	444	VAL	0	-0.023	0.001	53.554	-0.405	-0.405	0.000	0.000	0.000	0.000
904	B	445	ILE	0	0.055	0.028	50.361	-0.250	-0.250	0.000	0.000	0.000	0.000
905	B	446	ARG	1	0.890	0.939	53.856	-22.319	-22.319	0.000	0.000	0.000	0.000
906	B	447	SER	0	-0.070	-0.037	56.780	-0.458	-0.458	0.000	0.000	0.000	0.000
907	B	448	ALA	0	0.035	0.025	55.112	-0.303	-0.303	0.000	0.000	0.000	0.000
908	B	449	CYS	0	-0.130	-0.081	50.615	0.284	0.284	0.000	0.000	0.000	0.000
909	B	450	LYS	1	0.899	0.950	56.941	-20.567	-20.567	0.000	0.000	0.000	0.000
910	B	451	TRP	0	-0.017	0.010	58.010	-0.252	-0.252	0.000	0.000	0.000	0.000
911	B	452	SER	0	0.019	0.025	56.912	-0.071	-0.071	0.000	0.000	0.000	0.000
912	B	453	PRO	0	0.041	0.008	57.940	0.219	0.219	0.000	0.000	0.000	0.000
913	B	454	GLU	-1	-0.817	-0.920	54.378	21.118	21.118	0.000	0.000	0.000	0.000
914	B	455	LEU	0	0.029	0.009	51.716	0.388	0.388	0.000	0.000	0.000	0.000
915	B	456	ALA	0	-0.006	-0.007	53.811	0.288	0.288	0.000	0.000	0.000	0.000
916	B	457	ALA	0	-0.035	-0.014	54.833	0.122	0.122	0.000	0.000	0.000	0.000
917	B	458	ALA	0	0.019	0.012	49.752	0.252	0.252	0.000	0.000	0.000	0.000
918	B	460	GLU	-1	-0.933	-0.963	52.037	21.803	21.803	0.000	0.000	0.000	0.000
919	B	461	VAL	0	-0.030	-0.001	48.610	0.133	0.133	0.000	0.000	0.000	0.000
920	B	462	TRP	0	-0.013	-0.023	45.527	0.190	0.190	0.000	0.000	0.000	0.000
921	B	463	LYS	1	0.922	0.979	47.816	-21.829	-21.829	0.000	0.000	0.000	0.000
922	B	464	GLU	-1	-0.922	-0.976	48.799	23.533	23.533	0.000	0.000	0.000	0.000
923	B	465	ILE	0	-0.076	-0.011	42.863	0.427	0.427	0.000	0.000	0.000	0.000
924	B	466	LYS	1	0.957	0.977	42.799	-25.870	-25.870	0.000	0.000	0.000	0.000
925	B	467	PHE	0	0.010	0.007	37.273	0.233	0.233	0.000	0.000	0.000	0.000
926	B	468	GLU	-1	-0.938	-0.964	38.509	28.384	28.384	0.000	0.000	0.000	0.000
927	B	469	PHE	0	0.029	0.002	34.717	-0.184	-0.184	0.000	0.000	0.000	0.000
928	B	470	ASP	-1	-0.817	-0.896	32.636	35.918	35.918	0.000	0.000	0.000	0.000
929	B	471	THR	0	-0.016	0.003	30.815	0.475	0.475	0.000	0.000	0.000	0.000
930	B	472	ILE	0	-0.032	-0.009	25.634	-0.228	-0.228	0.000	0.000	0.000	0.000
931	B	473	ASP	-1	-0.866	-0.926	25.624	46.625	46.625	0.000	0.000	0.000	0.000
932	B	474	LYS	1	0.774	0.865	27.385	-38.019	-38.019	0.000	0.000	0.000	0.000
933	B	475	LEU	0	-0.007	-0.003	28.232	0.939	0.939	0.000	0.000	0.000	0.000
934	I	1	MME	1	0.827	0.914	19.314	-49.363	-49.363	0.000	0.000	0.000	0.000
935	I	2	MET	0	0.011	0.026	21.067	-1.875	-1.875	0.000	0.000	0.000	0.000
936	I	3	VAL	0	0.039	0.005	20.747	2.400	2.400	0.000	0.000	0.000	0.000
937	I	4	TRP	0	0.079	0.047	19.537	-1.813	-1.813	0.000	0.000	0.000	0.000
938	I	5	THR	0	0.003	-0.007	21.639	-0.008	-0.008	0.000	0.000	0.000	0.000
939	I	6	PRO	0	0.032	0.025	23.634	0.606	0.606	0.000	0.000	0.000	0.000
940	I	7	VAL	0	-0.042	-0.018	24.788	-0.824	-0.824	0.000	0.000	0.000	0.000
941	I	8	ASN	0	-0.046	-0.021	28.457	0.147	0.147	0.000	0.000	0.000	0.000
942	I	9	ASN	0	0.017	-0.011	23.461	-1.683	-1.683	0.000	0.000	0.000	0.000
943	I	10	LYS	1	0.931	0.994	24.704	-39.821	-39.821	0.000	0.000	0.000	0.000
944	I	11	MET	0	-0.092	-0.032	21.516	-0.993	-0.993	0.000	0.000	0.000	0.000
945	I	12	PHE	0	-0.021	-0.043	24.290	-1.321	-1.321	0.000	0.000	0.000	0.000
946	I	13	GLU	-1	-0.770	-0.863	20.689	56.627	56.627	0.000	0.000	0.000	0.000
947	I	14	THR	0	-0.025	-0.003	21.487	1.245	1.245	0.000	0.000	0.000	0.000
948	I	15	PHE	0	-0.004	-0.003	21.806	-2.161	-2.161	0.000	0.000	0.000	0.000
949	I	16	SER	0	-0.071	-0.041	22.741	-1.180	-1.180	0.000	0.000	0.000	0.000
950	I	17	TYR	0	0.011	-0.015	18.731	-0.457	-0.457	0.000	0.000	0.000	0.000
951	I	18	LEU	0	-0.051	-0.021	21.237	0.412	0.412	0.000	0.000	0.000	0.000
952	I	19	PRO	0	-0.054	-0.038	23.896	-1.138	-1.138	0.000	0.000	0.000	0.000
953	I	20	PRO	0	-0.041	-0.024	27.475	0.277	0.277	0.000	0.000	0.000	0.000
954	I	21	LEU	0	0.026	0.033	27.595	-0.464	-0.464	0.000	0.000	0.000	0.000
955	I	22	THR	0	-0.008	-0.005	30.929	-1.368	-1.368	0.000	0.000	0.000	0.000
956	I	23	ASP	-1	-0.877	-0.952	34.168	32.285	32.285	0.000	0.000	0.000	0.000
957	I	24	GLU	-1	-0.983	-0.986	35.076	34.094	34.094	0.000	0.000	0.000	0.000
958	I	25	GLN	0	0.076	0.034	29.161	-0.293	-0.293	0.000	0.000	0.000	0.000
959	I	26	ILE	0	-0.015	-0.011	31.763	0.956	0.956	0.000	0.000	0.000	0.000
960	I	27	ALA	0	-0.021	-0.018	33.445	0.277	0.277	0.000	0.000	0.000	0.000
961	I	28	ALA	0	0.064	0.045	31.831	0.001	0.001	0.000	0.000	0.000	0.000
962	I	29	GLN	0	0.037	0.018	27.041	1.504	1.504	0.000	0.000	0.000	0.000
963	I	30	VAL	0	-0.047	-0.025	31.208	0.281	0.281	0.000	0.000	0.000	0.000
964	I	31	ASP	-1	-0.897	-0.953	34.363	34.132	34.132	0.000	0.000	0.000	0.000
965	I	32	TYR	0	-0.007	0.010	24.349	0.073	0.073	0.000	0.000	0.000	0.000
966	I	33	ILE	0	-0.028	-0.015	30.793	0.386	0.386	0.000	0.000	0.000	0.000
967	I	34	VAL	0	-0.045	-0.021	31.913	-0.223	-0.223	0.000	0.000	0.000	0.000
968	I	35	ALA	0	-0.045	-0.022	31.993	-0.472	-0.472	0.000	0.000	0.000	0.000
969	I	36	ASN	0	-0.058	-0.033	28.129	0.540	0.540	0.000	0.000	0.000	0.000
970	I	37	GLY	0	-0.053	-0.006	30.815	0.230	0.230	0.000	0.000	0.000	0.000
971	I	38	TRP	0	-0.005	0.002	25.539	-0.135	-0.135	0.000	0.000	0.000	0.000
972	I	39	ILE	0	-0.036	-0.024	31.937	-1.270	-1.270	0.000	0.000	0.000	0.000
973	I	40	PRO	0	0.022	0.022	33.410	0.842	0.842	0.000	0.000	0.000	0.000
974	I	41	CYS	0	-0.019	-0.005	34.551	-1.367	-1.367	0.000	0.000	0.000	0.000
975	I	42	LEU	0	-0.002	0.016	34.985	0.767	0.767	0.000	0.000	0.000	0.000
976	I	43	GLU	-1	-0.839	-0.915	32.553	37.844	37.844	0.000	0.000	0.000	0.000
977	I	44	PHE	0	-0.020	-0.026	35.687	0.315	0.315	0.000	0.000	0.000	0.000
978	I	45	ALA	0	0.049	0.025	35.068	-0.134	-0.134	0.000	0.000	0.000	0.000
979	I	46	GLU	-1	-0.916	-0.958	37.173	29.908	29.908	0.000	0.000	0.000	0.000
980	I	47	ALA	0	0.026	-0.013	36.148	0.822	0.822	0.000	0.000	0.000	0.000
981	I	48	ASP	-1	-0.913	-0.951	35.371	32.284	32.284	0.000	0.000	0.000	0.000
982	I	49	LYS	1	0.883	0.941	35.356	-31.919	-31.919	0.000	0.000	0.000	0.000
983	I	50	ALA	0	-0.023	0.008	32.421	0.672	0.672	0.000	0.000	0.000	0.000
984	I	51	TYR	0	-0.002	-0.012	27.534	1.398	1.398	0.000	0.000	0.000	0.000
985	I	52	VAL	0	-0.005	0.005	24.884	-0.897	-0.897	0.000	0.000	0.000	0.000
986	I	53	SER	0	-0.059	-0.064	28.369	0.224	0.224	0.000	0.000	0.000	0.000
987	I	54	ASN	0	0.027	-0.001	27.085	1.313	1.313	0.000	0.000	0.000	0.000
988	I	55	GLU	-1	-0.848	-0.881	30.473	35.176	35.176	0.000	0.000	0.000	0.000
989	I	56	SER	0	-0.031	-0.038	33.885	-1.265	-1.265	0.000	0.000	0.000	0.000
990	I	57	ALA	0	0.005	-0.001	30.843	-0.504	-0.504	0.000	0.000	0.000	0.000
991	I	58	ILE	0	-0.053	-0.012	32.888	-0.234	-0.234	0.000	0.000	0.000	0.000
992	I	59	ARG	1	0.884	0.935	35.928	-30.912	-30.912	0.000	0.000	0.000	0.000
993	I	60	PHE	0	-0.045	-0.001	30.448	-0.447	-0.447	0.000	0.000	0.000	0.000
994	I	61	GLY	0	0.044	0.029	33.396	-0.437	-0.437	0.000	0.000	0.000	0.000
995	I	62	SER	0	0.007	-0.005	28.299	0.158	0.158	0.000	0.000	0.000	0.000
996	I	63	VAL	0	-0.035	-0.041	27.801	1.113	1.113	0.000	0.000	0.000	0.000
997	I	64	SER	0	0.038	0.027	25.908	-0.129	-0.129	0.000	0.000	0.000	0.000
998	I	65	CYS	0	-0.027	0.018	21.622	0.282	0.282	0.000	0.000	0.000	0.000
999	I	66	LEU	0	-0.014	0.004	19.258	-0.700	-0.700	0.000	0.000	0.000	0.000
1000	I	67	TYR	0	-0.103	-0.045	23.428	-0.996	-0.996	0.000	0.000	0.000	0.000
1001	I	68	TYR	0	0.037	-0.003	21.746	1.123	1.123	0.000	0.000	0.000	0.000
1002	I	69	ASP	-1	-0.778	-0.865	28.169	36.022	36.022	0.000	0.000	0.000	0.000
1003	I	70	ASN	0	-0.003	-0.024	30.144	0.262	0.262	0.000	0.000	0.000	0.000
1004	I	71	ARG	1	0.873	0.949	25.353	-44.332	-44.332	0.000	0.000	0.000	0.000
1005	I	72	TYR	0	-0.011	-0.003	29.731	0.115	0.115	0.000	0.000	0.000	0.000
1006	I	73	TRP	0	-0.033	-0.006	31.216	-0.470	-0.470	0.000	0.000	0.000	0.000
1007	I	74	THR	0	-0.020	-0.009	35.107	-0.518	-0.518	0.000	0.000	0.000	0.000
1008	I	75	MET	0	0.032	0.028	36.810	0.082	0.082	0.000	0.000	0.000	0.000
1009	I	76	TRP	0	-0.039	-0.035	39.088	-1.153	-1.153	0.000	0.000	0.000	0.000
1010	I	77	LYS	1	0.784	0.890	41.033	-27.383	-27.383	0.000	0.000	0.000	0.000
1011	I	78	LEU	0	0.031	0.004	40.731	0.075	0.075	0.000	0.000	0.000	0.000
1012	I	79	PRO	0	0.040	0.008	36.207	-0.007	-0.007	0.000	0.000	0.000	0.000
1013	I	80	MET	0	-0.041	-0.014	37.994	-0.744	-0.744	0.000	0.000	0.000	0.000
1014	I	81	PHE	0	0.035	-0.001	36.310	0.383	0.383	0.000	0.000	0.000	0.000
1015	I	82	GLY	0	-0.002	0.001	38.760	-0.794	-0.794	0.000	0.000	0.000	0.000
1016	I	83	CYS	0	-0.087	-0.014	39.170	-0.392	-0.392	0.000	0.000	0.000	0.000
1017	I	84	ARG	1	0.987	0.983	38.517	-29.920	-29.920	0.000	0.000	0.000	0.000
1018	I	85	ASP	-1	-0.872	-0.949	40.015	28.559	28.559	0.000	0.000	0.000	0.000
1019	I	86	PRO	0	0.131	0.054	38.361	-0.132	-0.132	0.000	0.000	0.000	0.000
1020	I	87	MET	0	0.005	-0.014	39.953	-0.156	-0.156	0.000	0.000	0.000	0.000
1021	I	88	GLN	0	-0.055	-0.029	42.929	-0.018	-0.018	0.000	0.000	0.000	0.000
1022	I	89	VAL	0	0.055	0.033	36.890	-0.242	-0.242	0.000	0.000	0.000	0.000
1023	I	90	LEU	0	0.022	0.014	37.666	-0.052	-0.052	0.000	0.000	0.000	0.000
1024	I	91	ARG	1	0.935	0.959	40.674	-27.540	-27.540	0.000	0.000	0.000	0.000
1025	I	92	GLU	-1	-0.788	-0.882	41.459	27.786	27.786	0.000	0.000	0.000	0.000
1026	I	93	ILE	0	0.030	0.028	36.471	-0.084	-0.084	0.000	0.000	0.000	0.000
1027	I	94	VAL	0	-0.012	0.009	40.172	-0.247	-0.247	0.000	0.000	0.000	0.000
1028	I	95	ALA	0	-0.044	-0.023	43.210	-0.476	-0.476	0.000	0.000	0.000	0.000
1029	I	96	CYS	0	-0.037	-0.007	40.469	-0.173	-0.173	0.000	0.000	0.000	0.000
1030	I	97	THR	0	0.012	-0.019	39.147	-0.414	-0.414	0.000	0.000	0.000	0.000
1031	I	98	LYS	1	0.916	0.964	41.859	-25.377	-25.377	0.000	0.000	0.000	0.000
1032	I	99	ALA	0	-0.060	-0.026	45.306	-0.563	-0.563	0.000	0.000	0.000	0.000
1033	I	100	PHE	0	-0.005	-0.005	42.110	-0.420	-0.420	0.000	0.000	0.000	0.000
1034	I	101	PRO	0	0.022	0.022	41.800	0.786	0.786	0.000	0.000	0.000	0.000
1035	I	102	ASP	-1	-0.975	-0.990	41.644	28.234	28.234	0.000	0.000	0.000	0.000
1036	I	103	ALA	0	-0.037	-0.010	39.066	0.442	0.442	0.000	0.000	0.000	0.000
1037	I	104	TYR	0	0.004	-0.005	32.276	-0.095	-0.095	0.000	0.000	0.000	0.000
1038	I	105	VAL	0	-0.001	-0.001	35.004	-0.418	-0.418	0.000	0.000	0.000	0.000
1039	I	106	ARG	1	0.851	0.931	29.631	-39.629	-39.629	0.000	0.000	0.000	0.000
1040	I	107	LEU	0	-0.016	0.003	32.023	-1.241	-1.241	0.000	0.000	0.000	0.000
1041	I	108	VAL	0	0.037	0.020	30.160	1.460	1.460	0.000	0.000	0.000	0.000
1042	I	109	ALA	0	0.022	-0.006	29.683	-1.487	-1.487	0.000	0.000	0.000	0.000
1043	I	110	PHE	0	-0.016	-0.007	28.920	1.560	1.560	0.000	0.000	0.000	0.000
1044	I	111	ASP	-1	-0.773	-0.882	26.359	42.902	42.902	0.000	0.000	0.000	0.000
1045	I	112	ASN	0	-0.027	-0.042	28.637	0.900	0.900	0.000	0.000	0.000	0.000
1046	I	113	GLN	0	-0.028	-0.004	27.929	-1.466	-1.466	0.000	0.000	0.000	0.000
1047	I	114	LYS	1	0.908	0.958	20.494	-54.118	-54.118	0.000	0.000	0.000	0.000
1048	I	115	GLN	0	-0.063	-0.024	25.589	-0.288	-0.288	0.000	0.000	0.000	0.000
1049	I	116	VAL	0	0.037	0.019	22.973	0.789	0.789	0.000	0.000	0.000	0.000
1050	I	117	GLN	0	-0.011	-0.006	26.228	-0.439	-0.439	0.000	0.000	0.000	0.000
1051	I	118	ILE	0	-0.022	-0.014	23.291	2.266	2.266	0.000	0.000	0.000	0.000
1052	I	119	MET	0	-0.017	-0.011	24.425	1.271	1.271	0.000	0.000	0.000	0.000
1053	I	120	GLY	0	0.085	0.023	26.356	-1.376	-1.376	0.000	0.000	0.000	0.000
1054	I	121	PHE	0	-0.029	-0.002	26.137	1.491	1.491	0.000	0.000	0.000	0.000
1055	I	122	LEU	0	-0.045	-0.019	28.089	-1.556	-1.556	0.000	0.000	0.000	0.000
1056	I	123	VAL	0	-0.011	-0.014	30.395	0.120	0.120	0.000	0.000	0.000	0.000
1057	I	124	GLN	0	-0.051	-0.029	33.649	-1.301	-1.301	0.000	0.000	0.000	0.000
1058	I	125	ARG	1	0.959	0.993	28.977	-37.920	-37.920	0.000	0.000	0.000	0.000
1059	I	126	PRO	0	0.051	0.037	35.289	-0.701	-0.701	0.000	0.000	0.000	0.000
1060	I	127	LYS	1	0.968	0.963	37.574	-28.142	-28.142	0.000	0.000	0.000	0.000
1061	I	128	THR	0	-0.040	-0.019	39.675	0.227	0.227	0.000	0.000	0.000	0.000
1062	I	129	ALA	0	0.011	0.031	34.514	-0.033	-0.033	0.000	0.000	0.000	0.000
1063	I	130	ARG	1	0.946	0.941	35.219	-30.333	-30.333	0.000	0.000	0.000	0.000
1064	I	131	ASP	-1	-0.865	-0.927	31.094	37.459	37.459	0.000	0.000	0.000	0.000
1065	I	132	PHE	0	0.000	0.010	28.922	1.388	1.388	0.000	0.000	0.000	0.000
1066	I	133	GLN	0	-0.010	-0.024	27.396	-1.788	-1.788	0.000	0.000	0.000	0.000
1067	I	134	PRO	0	-0.014	-0.004	28.499	0.741	0.741	0.000	0.000	0.000	0.000
1068	I	135	ALA	0	0.082	0.024	26.202	0.558	0.558	0.000	0.000	0.000	0.000
1069	I	136	ASN	0	-0.034	-0.019	26.155	1.254	1.254	0.000	0.000	0.000	0.000
1070	I	137	LYS	1	0.909	0.957	28.504	-36.684	-36.684	0.000	0.000	0.000	0.000
1071	I	138	ARG	1	0.904	0.993	23.175	-46.913	-46.913	0.000	0.000	0.000	0.000
1072	I	139	SER	0	-0.004	-0.013	22.386	0.620	0.620	0.000	0.000	0.000	0.000
1073	I	140	VAL	0	-0.046	-0.001	24.451	-1.897	-1.897	0.000	0.000	0.000	0.000
1074	J	1	MME	1	0.822	0.908	55.347	-20.515	-20.515	0.000	0.000	0.000	0.000
1075	J	2	MET	0	0.011	0.030	58.574	-0.317	-0.317	0.000	0.000	0.000	0.000
1076	J	3	VAL	0	0.033	0.005	57.892	0.403	0.403	0.000	0.000	0.000	0.000
1077	J	4	TRP	0	0.083	0.047	55.629	-0.425	-0.425	0.000	0.000	0.000	0.000
1078	J	5	THR	0	0.008	0.003	57.820	0.151	0.151	0.000	0.000	0.000	0.000
1079	J	6	PRO	0	0.019	0.019	57.255	0.131	0.131	0.000	0.000	0.000	0.000
1080	J	7	VAL	0	-0.037	-0.021	58.725	-0.016	-0.016	0.000	0.000	0.000	0.000
1081	J	8	ASN	0	-0.045	-0.023	62.171	0.046	0.046	0.000	0.000	0.000	0.000
1082	J	9	ASN	0	0.016	-0.001	58.741	-0.408	-0.408	0.000	0.000	0.000	0.000
1083	J	10	LYS	1	0.900	0.968	57.915	-20.454	-20.454	0.000	0.000	0.000	0.000
1084	J	11	MET	0	-0.096	-0.040	55.127	-0.345	-0.345	0.000	0.000	0.000	0.000
1085	J	12	PHE	0	-0.015	-0.043	56.426	-0.129	-0.129	0.000	0.000	0.000	0.000
1086	J	13	GLU	-1	-0.773	-0.865	50.314	24.436	24.436	0.000	0.000	0.000	0.000
1087	J	14	THR	0	-0.029	-0.024	51.291	-0.132	-0.132	0.000	0.000	0.000	0.000
1088	J	15	PHE	0	-0.003	-0.006	53.331	-0.366	-0.366	0.000	0.000	0.000	0.000
1089	J	16	SER	0	-0.083	-0.023	55.163	-0.445	-0.445	0.000	0.000	0.000	0.000
1090	J	17	TYR	0	0.028	-0.010	53.232	-0.316	-0.316	0.000	0.000	0.000	0.000
1091	J	18	LEU	0	-0.028	-0.012	55.497	-0.140	-0.140	0.000	0.000	0.000	0.000
1092	J	19	PRO	0	-0.059	-0.038	58.600	-0.210	-0.210	0.000	0.000	0.000	0.000
1093	J	20	PRO	0	-0.035	-0.025	61.866	0.143	0.143	0.000	0.000	0.000	0.000
1094	J	21	LEU	0	0.025	0.030	59.535	-0.136	-0.136	0.000	0.000	0.000	0.000
1095	J	22	THR	0	-0.019	-0.010	63.677	-0.304	-0.304	0.000	0.000	0.000	0.000
1096	J	23	ASP	-1	-0.879	-0.953	65.942	18.041	18.041	0.000	0.000	0.000	0.000
1097	J	24	GLU	-1	-0.985	-0.988	66.330	18.669	18.669	0.000	0.000	0.000	0.000
1098	J	25	GLN	0	0.078	0.037	62.232	0.040	0.040	0.000	0.000	0.000	0.000
1099	J	26	ILE	0	0.000	-0.003	62.122	0.388	0.388	0.000	0.000	0.000	0.000
1100	J	27	ALA	0	-0.023	-0.017	62.692	0.244	0.244	0.000	0.000	0.000	0.000
1101	J	28	ALA	0	0.068	0.046	61.132	0.149	0.149	0.000	0.000	0.000	0.000
1102	J	29	GLN	0	0.033	0.016	56.719	0.727	0.727	0.000	0.000	0.000	0.000
1103	J	30	VAL	0	-0.058	-0.031	58.589	0.300	0.300	0.000	0.000	0.000	0.000
1104	J	31	ASP	-1	-0.889	-0.949	60.255	19.873	19.873	0.000	0.000	0.000	0.000
1105	J	32	TYR	0	-0.010	0.008	50.553	0.298	0.298	0.000	0.000	0.000	0.000
1106	J	33	ILE	0	-0.017	-0.006	55.740	0.380	0.380	0.000	0.000	0.000	0.000
1107	J	34	VAL	0	-0.043	-0.022	56.339	0.215	0.215	0.000	0.000	0.000	0.000
1108	J	35	ALA	0	-0.050	-0.020	56.601	0.093	0.093	0.000	0.000	0.000	0.000
1109	J	36	ASN	0	-0.061	-0.041	51.829	0.561	0.561	0.000	0.000	0.000	0.000
1110	J	37	GLY	0	-0.046	0.001	52.762	0.351	0.351	0.000	0.000	0.000	0.000
1111	J	38	TRP	0	-0.009	-0.002	49.301	0.001	0.001	0.000	0.000	0.000	0.000
1112	J	39	ILE	0	-0.031	-0.025	53.420	-0.496	-0.496	0.000	0.000	0.000	0.000
1113	J	40	PRO	0	0.015	0.030	56.269	0.181	0.181	0.000	0.000	0.000	0.000
1114	J	41	CYS	0	-0.027	-0.018	57.893	-0.224	-0.224	0.000	0.000	0.000	0.000
1115	J	42	LEU	0	0.004	0.023	59.574	0.059	0.059	0.000	0.000	0.000	0.000
1116	J	43	GLU	-1	-0.842	-0.917	56.500	22.013	22.013	0.000	0.000	0.000	0.000
1117	J	44	PHE	0	-0.016	-0.025	60.983	-0.130	-0.130	0.000	0.000	0.000	0.000
1118	J	45	ALA	0	0.041	0.023	61.395	0.143	0.143	0.000	0.000	0.000	0.000
1119	J	46	GLU	-1	-0.906	-0.951	63.551	18.390	18.390	0.000	0.000	0.000	0.000
1120	J	47	ALA	0	0.020	-0.016	64.293	0.297	0.297	0.000	0.000	0.000	0.000
1121	J	48	ASP	-1	-0.918	-0.952	63.591	18.950	18.950	0.000	0.000	0.000	0.000
1122	J	49	LYS	1	0.883	0.941	61.163	-19.701	-19.701	0.000	0.000	0.000	0.000
1123	J	50	ALA	0	-0.018	0.005	60.064	0.293	0.293	0.000	0.000	0.000	0.000
1124	J	51	TYR	0	0.002	-0.011	57.041	0.379	0.379	0.000	0.000	0.000	0.000
1125	J	52	VAL	0	-0.023	0.002	51.574	-0.114	-0.114	0.000	0.000	0.000	0.000
1126	J	53	SER	0	-0.079	-0.105	54.696	-0.149	-0.149	0.000	0.000	0.000	0.000
1127	J	54	ASN	0	0.038	0.002	51.917	0.624	0.624	0.000	0.000	0.000	0.000
1128	J	55	GLU	-1	-0.824	-0.838	54.117	21.390	21.390	0.000	0.000	0.000	0.000
1129	J	56	SER	0	-0.037	-0.051	54.459	-0.241	-0.241	0.000	0.000	0.000	0.000
1130	J	57	ALA	0	0.000	-0.002	51.268	0.110	0.110	0.000	0.000	0.000	0.000
1131	J	58	ILE	0	-0.049	-0.013	52.791	0.178	0.178	0.000	0.000	0.000	0.000
1132	J	59	ARG	1	0.891	0.939	54.562	-21.700	-21.700	0.000	0.000	0.000	0.000
1133	J	60	PHE	0	-0.057	-0.005	49.049	0.171	0.171	0.000	0.000	0.000	0.000
1134	J	61	GLY	0	0.047	0.028	47.617	-0.197	-0.197	0.000	0.000	0.000	0.000
1135	J	62	SER	0	0.016	0.000	43.703	-0.329	-0.329	0.000	0.000	0.000	0.000
1136	J	63	VAL	0	-0.039	-0.043	43.189	0.771	0.771	0.000	0.000	0.000	0.000
1137	J	64	SER	0	0.037	0.029	44.951	0.011	0.011	0.000	0.000	0.000	0.000
1138	J	65	CYS	0	-0.016	0.020	41.471	-0.161	-0.161	0.000	0.000	0.000	0.000
1139	J	66	LEU	0	-0.012	0.003	40.797	0.023	0.023	0.000	0.000	0.000	0.000
1140	J	67	TYR	0	-0.107	-0.046	44.666	-0.099	-0.099	0.000	0.000	0.000	0.000
1141	J	68	TYR	0	0.037	-0.006	46.124	0.058	0.058	0.000	0.000	0.000	0.000
1142	J	69	ASP	-1	-0.767	-0.849	51.106	22.493	22.493	0.000	0.000	0.000	0.000
1143	J	70	ASN	0	-0.010	-0.030	54.629	-0.009	-0.009	0.000	0.000	0.000	0.000
1144	J	71	ARG	1	0.856	0.936	46.959	-25.196	-25.196	0.000	0.000	0.000	0.000
1145	J	72	TYR	0	-0.009	0.000	50.905	-0.029	-0.029	0.000	0.000	0.000	0.000
1146	J	73	TRP	0	-0.018	-0.005	55.556	-0.399	-0.399	0.000	0.000	0.000	0.000
1147	J	74	THR	0	-0.029	-0.014	58.893	0.117	0.117	0.000	0.000	0.000	0.000
1148	J	75	MET	0	0.015	0.024	57.807	-0.124	-0.124	0.000	0.000	0.000	0.000
1149	J	76	TRP	0	-0.024	-0.027	61.474	-0.465	-0.465	0.000	0.000	0.000	0.000
1150	J	77	LYS	1	0.792	0.891	63.799	-17.968	-17.968	0.000	0.000	0.000	0.000
1151	J	78	LEU	0	0.031	0.004	60.918	0.177	0.177	0.000	0.000	0.000	0.000
1152	J	79	PRO	0	0.023	-0.001	57.313	-0.171	-0.171	0.000	0.000	0.000	0.000
1153	J	80	MET	0	-0.028	-0.008	59.837	-0.194	-0.194	0.000	0.000	0.000	0.000
1154	J	81	PHE	0	0.030	-0.004	55.620	0.155	0.155	0.000	0.000	0.000	0.000
1155	J	82	GLY	0	-0.005	-0.002	58.957	-0.323	-0.323	0.000	0.000	0.000	0.000
1156	J	83	CYS	0	-0.097	-0.016	60.649	-0.244	-0.244	0.000	0.000	0.000	0.000
1157	J	84	ARG	1	0.995	0.985	60.367	-19.920	-19.920	0.000	0.000	0.000	0.000
1158	J	85	ASP	-1	-0.864	-0.948	62.530	18.250	18.250	0.000	0.000	0.000	0.000
1159	J	86	PRO	0	0.129	0.053	63.979	-0.046	-0.046	0.000	0.000	0.000	0.000
1160	J	87	MET	0	0.001	-0.010	65.132	-0.124	-0.124	0.000	0.000	0.000	0.000
1161	J	88	GLN	0	-0.030	-0.012	66.608	0.041	0.041	0.000	0.000	0.000	0.000
1162	J	89	VAL	0	0.058	0.026	62.272	-0.070	-0.070	0.000	0.000	0.000	0.000
1163	J	90	LEU	0	0.032	0.017	65.404	-0.077	-0.077	0.000	0.000	0.000	0.000
1164	J	91	ARG	1	0.904	0.950	67.677	-17.284	-17.284	0.000	0.000	0.000	0.000
1165	J	92	GLU	-1	-0.773	-0.883	66.345	18.041	18.041	0.000	0.000	0.000	0.000
1166	J	93	ILE	0	0.027	0.029	63.849	-0.026	-0.026	0.000	0.000	0.000	0.000
1167	J	94	VAL	0	-0.003	0.019	67.269	-0.129	-0.129	0.000	0.000	0.000	0.000
1168	J	95	ALA	0	-0.043	-0.017	70.256	-0.200	-0.200	0.000	0.000	0.000	0.000
1169	J	96	CYS	0	-0.005	-0.002	66.519	-0.097	-0.097	0.000	0.000	0.000	0.000
1170	J	97	THR	0	0.017	-0.017	67.638	-0.179	-0.179	0.000	0.000	0.000	0.000
1171	J	98	LYS	1	0.902	0.959	69.887	-16.752	-16.752	0.000	0.000	0.000	0.000
1172	J	99	ALA	0	-0.106	-0.056	71.336	-0.259	-0.259	0.000	0.000	0.000	0.000
1173	J	100	PHE	0	0.012	0.010	69.211	-0.132	-0.132	0.000	0.000	0.000	0.000
1174	J	101	PRO	0	0.005	0.012	70.238	0.207	0.207	0.000	0.000	0.000	0.000
1175	J	102	ASP	-1	-0.958	-0.986	71.506	16.992	16.992	0.000	0.000	0.000	0.000
1176	J	103	ALA	0	-0.051	-0.017	66.627	0.149	0.149	0.000	0.000	0.000	0.000
1177	J	104	TYR	0	0.017	0.000	62.663	-0.096	-0.096	0.000	0.000	0.000	0.000
1178	J	105	VAL	0	-0.002	-0.004	63.394	0.045	0.045	0.000	0.000	0.000	0.000
1179	J	106	ARG	1	0.862	0.935	55.572	-21.937	-21.937	0.000	0.000	0.000	0.000
1180	J	107	LEU	0	-0.017	0.003	59.114	-0.177	-0.177	0.000	0.000	0.000	0.000
1181	J	108	VAL	0	0.035	0.016	54.768	0.272	0.272	0.000	0.000	0.000	0.000
1182	J	109	ALA	0	0.035	-0.002	54.219	-0.378	-0.378	0.000	0.000	0.000	0.000
1183	J	110	PHE	0	-0.035	-0.014	51.370	0.451	0.451	0.000	0.000	0.000	0.000
1184	J	111	ASP	-1	-0.770	-0.888	47.495	25.550	25.550	0.000	0.000	0.000	0.000
1185	J	112	ASN	0	-0.022	-0.037	48.544	0.422	0.422	0.000	0.000	0.000	0.000
1186	J	113	GLN	0	-0.043	-0.010	45.400	0.663	0.663	0.000	0.000	0.000	0.000
1187	J	114	LYS	1	0.909	0.956	42.163	-27.600	-27.600	0.000	0.000	0.000	0.000
1188	J	115	GLN	0	-0.054	-0.015	43.951	0.607	0.607	0.000	0.000	0.000	0.000
1189	J	116	VAL	0	0.033	0.012	44.859	0.293	0.293	0.000	0.000	0.000	0.000
1190	J	117	GLN	0	-0.015	-0.008	47.182	-0.534	-0.534	0.000	0.000	0.000	0.000
1191	J	118	ILE	0	-0.009	-0.012	46.530	0.517	0.517	0.000	0.000	0.000	0.000
1192	J	119	MET	0	-0.021	-0.005	49.550	-0.019	-0.019	0.000	0.000	0.000	0.000
1193	J	120	GLY	0	0.075	0.020	52.371	-0.108	-0.108	0.000	0.000	0.000	0.000
1194	J	121	PHE	0	-0.018	0.002	54.785	0.159	0.159	0.000	0.000	0.000	0.000
1195	J	122	LEU	0	-0.045	-0.016	57.478	-0.271	-0.271	0.000	0.000	0.000	0.000
1196	J	123	VAL	0	-0.015	-0.015	60.474	-0.078	-0.078	0.000	0.000	0.000	0.000
1197	J	124	GLN	0	-0.043	-0.025	63.899	-0.501	-0.501	0.000	0.000	0.000	0.000
1198	J	125	ARG	1	0.944	0.993	61.995	-19.189	-19.189	0.000	0.000	0.000	0.000
1199	J	126	PRO	0	0.043	0.033	66.402	-0.283	-0.283	0.000	0.000	0.000	0.000
1200	J	127	LYS	1	0.982	0.970	69.496	-16.721	-16.721	0.000	0.000	0.000	0.000
1201	J	128	THR	0	-0.044	-0.022	71.746	-0.003	-0.003	0.000	0.000	0.000	0.000
1202	J	129	ALA	0	0.019	0.033	66.531	-0.006	-0.006	0.000	0.000	0.000	0.000
1203	J	130	ARG	1	0.910	0.931	67.974	-17.299	-17.299	0.000	0.000	0.000	0.000
1204	J	131	ASP	-1	-0.851	-0.912	63.172	19.392	19.392	0.000	0.000	0.000	0.000
1205	J	132	PHE	0	0.001	0.011	62.594	0.334	0.334	0.000	0.000	0.000	0.000
1206	J	133	GLN	0	-0.001	-0.024	62.734	-0.565	-0.565	0.000	0.000	0.000	0.000
1207	J	134	PRO	0	-0.012	-0.001	63.600	0.196	0.196	0.000	0.000	0.000	0.000
1208	J	135	ALA	0	0.078	0.022	62.333	0.098	0.098	0.000	0.000	0.000	0.000
1209	J	136	ASN	0	-0.045	-0.024	62.713	0.232	0.232	0.000	0.000	0.000	0.000
1210	J	137	LYS	1	0.925	0.963	64.928	-17.917	-17.917	0.000	0.000	0.000	0.000
1211	J	138	ARG	1	0.888	0.982	58.920	-20.510	-20.510	0.000	0.000	0.000	0.000
1212	J	139	SER	0	0.002	0.002	59.318	0.163	0.163	0.000	0.000	0.000	0.000
1213	J	140	VAL	0	-0.050	-0.007	61.187	-0.405	-0.405	0.000	0.000	0.000	0.000
1215	B	1477	CAP	-4	-3.209	-3.599	28.598	140.359	140.359	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1214(A:1477:CAP)