FMO DATABASE

FMODB ID: M3NZZ

Calculation Name: 5MZ2-ABIP-Xray434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 5MZ2

Chain ID: ABIP

ChEMBL ID:

UniProt ID: A8DP67

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	1243
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-45162823.731868
FMO2-HF: Nuclear repulsion	44666885.477406
FMO2-HF: Total energy	-495938.254462
FMO2-MP2: Total energy	-497361.520465

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.
-573.197	-582.507	182.586	-87.982	-85.297	-0.682

Interactive mode: IFIE and PIEDA for fragment #1242(A:902:CAP)

Summations of interaction energy for fragment #1242(A:902: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.
-573.197	-582.507	182.586	-87.982	-85.297	0.682

Interaction energy analysis for fragmet #1242(A:902:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.242 / q_NPA : -3.622

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].
173	A	176	ALA	0	0.000	-0.002	5.121	6.629	6.765	-0.001	-0.005	-0.130	0.000
174	A	177	THR	0	0.114	0.035	2.063	-17.843	-14.840	5.510	-4.166	-4.349	-0.023
175	A	178	VAL	0	-0.052	-0.024	4.154	6.350	6.570	-0.001	-0.056	-0.163	0.000
176	A	179	LYS	1	0.866	0.926	2.082	-233.552	-230.670	7.875	-4.536	-6.220	0.063
178	A	181	LYS	1	0.779	0.890	4.395	-162.088	-161.623	-0.001	-0.185	-0.280	0.000
202	A	205	KCX	-1	-0.549	-0.828	1.675	180.762	173.554	23.809	-8.721	-7.880	-0.086
204	A	207	ASP	0	0.191	0.051	4.400	6.041	6.173	-0.001	-0.027	-0.104	0.000
205	A	208	GLU	0	0.153	-0.031	4.188	-16.818	-16.527	-0.001	-0.049	-0.240	0.000
295	A	297	HIS	0	0.117	0.045	2.229	-7.034	-5.408	3.221	-1.625	-3.223	0.008
296	A	298	ARG	1	0.786	0.867	1.878	-273.520	-271.301	20.177	-13.276	-9.121	0.180
297	A	299	ALA	0	0.033	0.011	5.294	-1.533	-1.488	-0.001	-0.004	-0.040	0.000
328	A	330	HIS	0	0.031	0.038	1.758	-60.104	-60.527	16.920	-8.849	-7.647	0.102
329	A	331	ALA	0	0.021	-0.004	4.585	-6.172	-5.970	-0.001	-0.034	-0.167	0.000
330	A	332	GLY	0	0.043	0.025	4.097	-13.520	-13.145	0.003	-0.155	-0.223	0.001
331	A	333	THR	0	0.034	0.022	4.898	-18.675	-18.517	-0.001	-0.011	-0.145	0.000
335	A	337	LYS	1	0.779	0.877	1.996	-268.586	-266.716	7.727	-4.694	-4.903	0.063
336	A	338	LEU	0	-0.017	-0.002	2.388	-22.876	-19.667	4.262	-3.014	-4.457	0.029
337	A	339	GLU	-1	-0.830	-0.935	5.210	84.854	84.898	-0.001	-0.005	-0.038	0.000
378	A	380	VAL	0	0.000	-0.004	4.884	-3.729	-3.660	-0.001	-0.006	-0.062	0.000
379	A	381	ALA	0	0.015	0.009	4.849	17.242	17.391	-0.001	-0.005	-0.143	0.000
380	A	382	SER	0	-0.018	-0.037	1.948	-32.684	-28.254	8.054	-6.048	-6.436	0.041
381	A	383	GLY	0	0.089	0.042	2.157	8.025	10.199	9.059	-5.558	-5.676	0.021
382	A	384	GLY	0	-0.026	-0.021	1.861	-45.309	-51.240	9.651	0.137	-3.857	0.057
383	A	385	ILE	0	-0.044	0.000	3.874	-29.294	-28.548	0.026	-0.357	-0.415	0.003
402	A	404	GLN	0	0.012	-0.009	4.029	-21.718	-21.491	-0.001	-0.022	-0.205	0.000
403	A	405	PHE	0	0.014	-0.005	3.828	18.062	18.759	0.012	-0.233	-0.476	0.001
404	A	406	GLY	0	0.072	0.035	1.930	-38.728	-39.364	9.404	-4.976	-3.792	0.062
405	A	407	GLY	0	0.017	-0.012	1.687	-52.827	-63.978	19.243	-4.175	-3.917	0.062
406	A	408	GLY	0	-0.030	-0.012	3.636	-30.525	-29.724	0.041	-0.389	-0.454	0.006
548	B	69	THR	0	-0.017	-0.057	1.521	-10.179	-26.009	33.209	-13.181	-4.198	0.074
549	B	70	TRP	0	-0.002	0.004	2.464	-45.760	-42.908	2.124	-2.009	-2.967	0.027
606	B	127	ASN	0	0.125	0.024	2.441	7.269	10.024	2.272	-1.742	-3.285	-0.009
607	B	128	VAL	0	0.020	0.015	4.841	3.370	3.462	-0.001	-0.006	-0.084	0.000
1	A	4	SER	0	0.049	0.024	61.869	-0.065	-0.065	0.000	0.000	0.000	0.000
2	A	5	VAL	0	-0.054	-0.048	60.459	-0.003	-0.003	0.000	0.000	0.000	0.000
3	A	6	SER	0	0.054	0.031	57.055	0.041	0.041	0.000	0.000	0.000	0.000
4	A	7	GLU	-1	-0.837	-0.919	58.056	19.765	19.765	0.000	0.000	0.000	0.000
5	A	8	ARG	1	0.860	0.924	60.065	-18.751	-18.751	0.000	0.000	0.000	0.000
6	A	9	THR	0	-0.116	-0.061	57.860	0.056	0.056	0.000	0.000	0.000	0.000
7	A	10	ARG	1	0.892	0.958	55.401	-20.972	-20.972	0.000	0.000	0.000	0.000
8	A	11	ILE	0	-0.017	-0.012	50.732	-0.316	-0.316	0.000	0.000	0.000	0.000
9	A	12	LYS	1	0.972	0.976	54.093	-20.119	-20.119	0.000	0.000	0.000	0.000
10	A	13	SER	0	-0.024	0.001	51.731	-0.067	-0.067	0.000	0.000	0.000	0.000
11	A	14	ASP	-1	-0.817	-0.916	51.007	22.724	22.724	0.000	0.000	0.000	0.000
12	A	15	ARG	1	0.817	0.930	41.707	-26.792	-26.792	0.000	0.000	0.000	0.000
13	A	16	TYR	0	-0.078	-0.083	43.585	0.477	0.477	0.000	0.000	0.000	0.000
14	A	17	GLU	-1	-0.965	-0.955	48.906	22.209	22.209	0.000	0.000	0.000	0.000
15	A	18	SER	0	-0.033	-0.018	48.525	0.279	0.279	0.000	0.000	0.000	0.000
16	A	19	GLY	0	0.058	0.025	47.257	-0.372	-0.372	0.000	0.000	0.000	0.000
17	A	20	VAL	0	-0.011	-0.001	42.223	0.385	0.385	0.000	0.000	0.000	0.000
18	A	21	ILE	0	-0.023	-0.010	43.393	-0.478	-0.478	0.000	0.000	0.000	0.000
19	A	22	PRO	0	0.005	-0.004	40.838	0.463	0.463	0.000	0.000	0.000	0.000
20	A	23	TYR	0	0.055	0.005	35.541	-0.420	-0.420	0.000	0.000	0.000	0.000
21	A	24	ALA	0	-0.016	-0.015	38.549	-0.124	-0.124	0.000	0.000	0.000	0.000
22	A	25	LYS	1	0.879	0.936	39.559	-25.949	-25.949	0.000	0.000	0.000	0.000
23	A	26	MET	0	-0.034	-0.007	40.013	-0.533	-0.533	0.000	0.000	0.000	0.000
24	A	27	GLY	0	-0.013	-0.015	40.701	-0.055	-0.055	0.000	0.000	0.000	0.000
25	A	28	TYR	0	-0.034	-0.013	35.187	-0.126	-0.126	0.000	0.000	0.000	0.000
26	A	29	TRP	0	-0.004	-0.008	34.589	1.157	1.157	0.000	0.000	0.000	0.000
27	A	30	ASP	-1	-0.864	-0.945	37.251	28.017	28.017	0.000	0.000	0.000	0.000
28	A	31	ALA	0	-0.037	-0.011	37.898	0.558	0.558	0.000	0.000	0.000	0.000
29	A	32	ALA	0	-0.039	-0.011	38.926	0.174	0.174	0.000	0.000	0.000	0.000
30	A	33	TYR	0	-0.082	-0.060	34.469	-0.648	-0.648	0.000	0.000	0.000	0.000
31	A	34	SER	0	-0.011	-0.008	37.582	0.301	0.301	0.000	0.000	0.000	0.000
32	A	35	VAL	0	-0.029	-0.020	31.785	-0.055	-0.055	0.000	0.000	0.000	0.000
33	A	36	LYS	1	0.934	0.975	34.607	-31.390	-31.390	0.000	0.000	0.000	0.000
34	A	37	ASP	-1	-0.873	-0.938	32.722	34.720	34.720	0.000	0.000	0.000	0.000
35	A	38	THR	0	-0.047	-0.042	31.572	0.763	0.763	0.000	0.000	0.000	0.000
36	A	39	ASP	-1	-0.793	-0.861	31.151	34.470	34.470	0.000	0.000	0.000	0.000
37	A	40	ILE	0	-0.009	-0.001	25.037	1.047	1.047	0.000	0.000	0.000	0.000
38	A	41	LEU	0	-0.052	-0.011	26.280	-1.158	-1.158	0.000	0.000	0.000	0.000
39	A	42	ALA	0	0.004	0.013	23.651	1.994	1.994	0.000	0.000	0.000	0.000
40	A	43	LEU	0	0.005	0.009	22.086	-1.693	-1.693	0.000	0.000	0.000	0.000
41	A	44	PHE	0	0.008	-0.010	22.152	2.579	2.579	0.000	0.000	0.000	0.000
42	A	45	ARG	1	0.777	0.864	19.162	-54.231	-54.231	0.000	0.000	0.000	0.000
43	A	46	ILE	0	0.020	-0.008	23.500	0.948	0.948	0.000	0.000	0.000	0.000
44	A	47	THR	0	0.027	0.018	24.953	-0.628	-0.628	0.000	0.000	0.000	0.000
45	A	48	HYP	0	0.011	-0.007	27.456	0.552	0.552	0.000	0.000	0.000	0.000
46	A	49	GLN	0	-0.055	-0.016	30.906	0.003	0.003	0.000	0.000	0.000	0.000
47	A	50	PRO	0	0.041	0.005	32.567	-0.688	-0.688	0.000	0.000	0.000	0.000
48	A	51	GLY	0	-0.019	-0.004	35.310	-0.462	-0.462	0.000	0.000	0.000	0.000
49	A	52	VAL	0	-0.064	-0.019	34.302	-0.809	-0.809	0.000	0.000	0.000	0.000
50	A	53	ASP	-1	-0.833	-0.918	35.837	30.911	30.911	0.000	0.000	0.000	0.000
51	A	54	PRO	0	0.016	0.002	33.295	0.589	0.589	0.000	0.000	0.000	0.000
52	A	55	VAL	0	0.004	0.006	33.420	0.879	0.879	0.000	0.000	0.000	0.000
53	A	56	GLU	-1	-0.800	-0.906	35.447	30.748	30.748	0.000	0.000	0.000	0.000
54	A	57	ALA	0	-0.015	-0.004	31.312	0.401	0.401	0.000	0.000	0.000	0.000
55	A	58	ALA	0	0.002	-0.001	30.738	0.877	0.877	0.000	0.000	0.000	0.000
56	A	59	ALA	0	-0.006	-0.005	31.730	0.435	0.435	0.000	0.000	0.000	0.000
57	A	60	ALA	0	0.016	0.006	32.674	-0.133	-0.133	0.000	0.000	0.000	0.000
58	A	61	VAL	0	-0.007	0.007	26.866	0.365	0.365	0.000	0.000	0.000	0.000
59	A	62	ALA	0	0.006	0.021	29.702	0.454	0.454	0.000	0.000	0.000	0.000
60	A	63	GLY	0	0.040	0.013	31.319	-0.201	-0.201	0.000	0.000	0.000	0.000
61	A	64	GLU	-1	-0.789	-0.889	30.903	33.690	33.690	0.000	0.000	0.000	0.000
62	A	65	SER	0	-0.046	-0.001	27.273	0.793	0.793	0.000	0.000	0.000	0.000
63	A	66	SER	0	-0.010	-0.025	29.121	-0.021	-0.021	0.000	0.000	0.000	0.000
64	A	67	THR	0	-0.014	-0.016	31.941	-0.027	-0.027	0.000	0.000	0.000	0.000
65	A	68	ALA	0	-0.017	0.009	34.869	-0.867	-0.867	0.000	0.000	0.000	0.000
66	A	69	THR	0	-0.021	-0.065	35.201	0.828	0.828	0.000	0.000	0.000	0.000
67	A	70	TRP	0	-0.002	0.005	37.107	-0.454	-0.454	0.000	0.000	0.000	0.000
68	A	71	THR	0	0.004	0.002	38.735	-0.691	-0.691	0.000	0.000	0.000	0.000
69	A	72	VAL	0	-0.024	0.011	41.917	0.482	0.482	0.000	0.000	0.000	0.000
70	A	73	VAL	0	0.017	0.002	41.596	-0.349	-0.349	0.000	0.000	0.000	0.000
71	A	74	TRP	0	0.055	0.013	44.673	0.049	0.049	0.000	0.000	0.000	0.000
72	A	75	THR	0	-0.025	-0.046	43.071	-0.316	-0.316	0.000	0.000	0.000	0.000
73	A	76	ASP	-1	-0.747	-0.867	41.731	28.302	28.302	0.000	0.000	0.000	0.000
74	A	77	LEU	0	-0.058	-0.028	43.843	0.031	0.031	0.000	0.000	0.000	0.000
75	A	78	LEU	0	-0.104	-0.037	45.701	-0.471	-0.471	0.000	0.000	0.000	0.000
76	A	79	THR	0	-0.048	-0.030	41.444	0.380	0.380	0.000	0.000	0.000	0.000
77	A	80	ALA	0	0.030	0.018	42.325	-0.444	-0.444	0.000	0.000	0.000	0.000
78	A	81	CYS	0	-0.008	-0.007	41.248	0.538	0.538	0.000	0.000	0.000	0.000
79	A	82	GLU	-1	-0.910	-0.967	40.283	26.793	26.793	0.000	0.000	0.000	0.000
80	A	83	ARG	1	0.804	0.906	38.038	-29.453	-29.453	0.000	0.000	0.000	0.000
81	A	84	TYR	0	0.006	-0.004	36.433	0.305	0.305	0.000	0.000	0.000	0.000
82	A	85	ARG	1	0.912	0.978	35.227	-27.295	-27.295	0.000	0.000	0.000	0.000
83	A	86	ALA	0	0.036	0.025	31.506	-0.132	-0.132	0.000	0.000	0.000	0.000
84	A	87	LYS	1	0.840	0.914	33.295	-31.649	-31.649	0.000	0.000	0.000	0.000
85	A	88	ALA	0	0.029	0.021	32.104	0.928	0.928	0.000	0.000	0.000	0.000
86	A	89	TYR	0	0.007	-0.005	29.611	-0.924	-0.924	0.000	0.000	0.000	0.000
87	A	90	ARG	1	0.873	0.924	30.809	-37.499	-37.499	0.000	0.000	0.000	0.000
88	A	91	VAL	0	-0.012	-0.005	31.142	1.144	1.144	0.000	0.000	0.000	0.000
89	A	92	ASP	-1	-0.829	-0.890	29.740	35.369	35.369	0.000	0.000	0.000	0.000
90	A	93	PRO	0	-0.029	-0.016	29.797	0.988	0.988	0.000	0.000	0.000	0.000
91	A	94	VAL	0	-0.002	0.001	24.269	0.478	0.478	0.000	0.000	0.000	0.000
92	A	95	PRO	0	-0.021	-0.015	25.610	-1.101	-1.101	0.000	0.000	0.000	0.000
93	A	96	ASN	0	-0.049	-0.028	26.396	-0.081	-0.081	0.000	0.000	0.000	0.000
94	A	97	SER	0	0.008	0.016	26.518	1.190	1.190	0.000	0.000	0.000	0.000
95	A	98	THR	0	-0.023	-0.019	28.292	-1.525	-1.525	0.000	0.000	0.000	0.000
96	A	99	ASP	-1	-0.919	-0.953	29.699	35.371	35.371	0.000	0.000	0.000	0.000
97	A	100	VAL	0	-0.002	-0.003	24.522	0.862	0.862	0.000	0.000	0.000	0.000
98	A	101	TYR	0	0.002	-0.010	27.608	-0.964	-0.964	0.000	0.000	0.000	0.000
99	A	102	PHE	0	-0.018	0.002	22.059	1.587	1.587	0.000	0.000	0.000	0.000
100	A	103	ALA	0	0.017	0.004	26.617	-1.705	-1.705	0.000	0.000	0.000	0.000
101	A	104	PHE	0	-0.004	0.001	26.642	1.610	1.610	0.000	0.000	0.000	0.000
102	A	105	ILE	0	-0.004	-0.010	27.742	-1.632	-1.632	0.000	0.000	0.000	0.000
103	A	106	ALA	0	-0.020	-0.003	28.458	1.311	1.311	0.000	0.000	0.000	0.000
104	A	107	TYR	0	-0.028	-0.057	26.911	-0.587	-0.587	0.000	0.000	0.000	0.000
105	A	108	GLU	-1	-0.846	-0.914	30.797	32.786	32.786	0.000	0.000	0.000	0.000
106	A	109	CSO	0	0.009	0.000	29.944	0.865	0.865	0.000	0.000	0.000	0.000
107	A	110	ASP	-1	-0.858	-0.948	31.367	32.374	32.374	0.000	0.000	0.000	0.000
108	A	111	LEU	0	-0.096	-0.042	30.652	-0.483	-0.483	0.000	0.000	0.000	0.000
109	A	112	PHE	0	-0.021	-0.003	26.632	0.570	0.570	0.000	0.000	0.000	0.000
110	A	113	GLU	-1	-0.814	-0.901	27.918	37.418	37.418	0.000	0.000	0.000	0.000
111	A	114	GLU	-1	-0.787	-0.895	27.362	36.895	36.895	0.000	0.000	0.000	0.000
112	A	115	ALA	0	0.012	0.018	24.962	0.081	0.081	0.000	0.000	0.000	0.000
113	A	116	SER	0	0.011	-0.001	23.803	2.149	2.149	0.000	0.000	0.000	0.000
114	A	117	LEU	0	0.027	0.010	16.224	-0.510	-0.510	0.000	0.000	0.000	0.000
115	A	118	SER	0	0.009	-0.003	20.902	1.036	1.036	0.000	0.000	0.000	0.000
116	A	119	ASN	0	0.002	0.012	22.000	-0.917	-0.917	0.000	0.000	0.000	0.000
117	A	120	LEU	0	0.000	0.012	20.654	-0.600	-0.600	0.000	0.000	0.000	0.000
118	A	121	THR	0	-0.037	-0.036	18.113	-0.600	-0.600	0.000	0.000	0.000	0.000
119	A	122	ALA	0	0.046	0.028	21.367	-0.174	-0.174	0.000	0.000	0.000	0.000
120	A	123	SER	0	0.007	0.001	24.235	-1.438	-1.438	0.000	0.000	0.000	0.000
121	A	124	ILE	0	-0.060	-0.018	21.949	-0.321	-0.321	0.000	0.000	0.000	0.000
122	A	125	ILE	0	-0.015	-0.029	17.858	0.453	0.453	0.000	0.000	0.000	0.000
123	A	126	GLY	0	0.006	0.024	21.822	0.563	0.563	0.000	0.000	0.000	0.000
124	A	127	ASN	0	0.130	0.028	24.149	1.269	1.269	0.000	0.000	0.000	0.000
125	A	128	VAL	0	0.020	0.016	24.446	-0.039	-0.039	0.000	0.000	0.000	0.000
126	A	129	PHE	0	0.003	0.004	19.986	-0.389	-0.389	0.000	0.000	0.000	0.000
127	A	130	GLY	0	-0.009	-0.008	23.878	0.654	0.654	0.000	0.000	0.000	0.000
128	A	131	PHE	0	-0.005	0.018	26.241	-1.274	-1.274	0.000	0.000	0.000	0.000
129	A	132	LYS	1	0.862	0.927	29.150	-32.658	-32.658	0.000	0.000	0.000	0.000
130	A	133	ALA	0	-0.009	0.001	31.495	0.223	0.223	0.000	0.000	0.000	0.000
131	A	134	ILE	0	-0.022	-0.012	26.804	-0.392	-0.392	0.000	0.000	0.000	0.000
132	A	135	SER	0	-0.021	0.006	27.856	0.937	0.937	0.000	0.000	0.000	0.000
133	A	136	ALA	0	0.015	0.000	22.699	1.503	1.503	0.000	0.000	0.000	0.000
134	A	137	LEU	0	-0.011	0.004	22.528	-1.570	-1.570	0.000	0.000	0.000	0.000
135	A	138	ARG	1	0.827	0.922	13.243	-66.033	-66.033	0.000	0.000	0.000	0.000
136	A	139	LEU	0	-0.021	0.011	18.154	-1.997	-1.997	0.000	0.000	0.000	0.000
137	A	140	GLU	-1	-0.758	-0.883	17.425	63.448	63.448	0.000	0.000	0.000	0.000
138	A	141	ASP	-1	-0.767	-0.883	17.769	57.494	57.494	0.000	0.000	0.000	0.000
139	A	142	MET	0	-0.008	-0.002	19.756	-1.343	-1.343	0.000	0.000	0.000	0.000
140	A	143	ARG	1	0.879	0.956	21.554	-38.107	-38.107	0.000	0.000	0.000	0.000
141	A	144	ILE	0	0.021	-0.020	21.059	-1.534	-1.534	0.000	0.000	0.000	0.000
142	A	145	PRO	0	-0.001	0.016	24.230	0.243	0.243	0.000	0.000	0.000	0.000
143	A	146	HIS	0	0.087	0.024	27.034	0.174	0.174	0.000	0.000	0.000	0.000
144	A	147	SER	0	-0.007	-0.026	28.537	0.286	0.286	0.000	0.000	0.000	0.000
145	A	148	TYR	0	0.021	0.011	23.995	0.355	0.355	0.000	0.000	0.000	0.000
146	A	149	LEU	0	0.032	0.022	22.205	0.718	0.718	0.000	0.000	0.000	0.000
147	A	150	LYO	1	0.907	0.969	25.291	-39.384	-39.384	0.000	0.000	0.000	0.000
148	A	151	THR	0	-0.094	-0.045	26.899	-0.336	-0.336	0.000	0.000	0.000	0.000
149	A	152	PHE	0	-0.019	-0.010	21.579	0.304	0.304	0.000	0.000	0.000	0.000
150	A	153	GLN	0	-0.023	-0.005	20.959	-2.561	-2.561	0.000	0.000	0.000	0.000
151	A	154	GLY	0	0.015	0.014	19.917	-0.693	-0.693	0.000	0.000	0.000	0.000
152	A	155	HYP	0	-0.075	-0.051	16.043	-0.427	-0.427	0.000	0.000	0.000	0.000
153	A	156	ALA	0	0.024	0.033	18.679	-3.171	-3.171	0.000	0.000	0.000	0.000
154	A	157	THR	0	-0.056	-0.037	18.755	-4.029	-4.029	0.000	0.000	0.000	0.000
155	A	158	GLY	0	0.002	-0.018	17.951	-2.569	-2.569	0.000	0.000	0.000	0.000
156	A	159	ILE	0	-0.037	-0.016	15.152	-0.479	-0.479	0.000	0.000	0.000	0.000
157	A	160	ILE	0	0.004	0.018	17.945	0.585	0.585	0.000	0.000	0.000	0.000
158	A	161	VAL	0	0.054	0.023	21.636	-0.533	-0.533	0.000	0.000	0.000	0.000
159	A	162	GLU	-1	-0.844	-0.890	15.069	74.964	74.964	0.000	0.000	0.000	0.000
160	A	163	ARG	1	0.799	0.870	17.091	-63.790	-63.790	0.000	0.000	0.000	0.000
161	A	164	GLU	-1	-0.860	-0.919	20.660	44.490	44.490	0.000	0.000	0.000	0.000
162	A	165	ARG	1	0.885	0.952	20.695	-53.490	-53.490	0.000	0.000	0.000	0.000
163	A	166	LEU	0	-0.059	-0.034	16.819	-0.311	-0.311	0.000	0.000	0.000	0.000
164	A	167	ASN	0	-0.003	0.010	21.326	-0.479	-0.479	0.000	0.000	0.000	0.000
165	A	168	LYS	1	0.808	0.902	17.408	-63.624	-63.624	0.000	0.000	0.000	0.000
166	A	169	TYR	0	0.064	0.014	21.112	1.660	1.660	0.000	0.000	0.000	0.000
167	A	170	GLY	0	0.046	0.028	21.519	-1.596	-1.596	0.000	0.000	0.000	0.000
168	A	171	THR	0	-0.035	-0.010	17.428	-1.230	-1.230	0.000	0.000	0.000	0.000
169	A	172	PRO	0	-0.021	0.010	13.721	-0.196	-0.196	0.000	0.000	0.000	0.000
170	A	173	LEU	0	0.011	0.018	13.438	-2.034	-2.034	0.000	0.000	0.000	0.000
171	A	174	HLU	0	-0.022	0.002	10.049	7.607	7.607	0.000	0.000	0.000	0.000
172	A	175	GLY	0	0.063	0.011	8.741	-5.341	-5.341	0.000	0.000	0.000	0.000
177	A	180	PRO	0	0.019	0.022	6.878	-9.249	-9.249	0.000	0.000	0.000	0.000
179	A	182	LEU	0	-0.012	-0.009	7.397	-6.419	-6.419	0.000	0.000	0.000	0.000
180	A	183	GLY	0	0.027	0.009	10.958	-0.336	-0.336	0.000	0.000	0.000	0.000
181	A	184	LEU	0	-0.055	-0.017	10.961	-5.799	-5.799	0.000	0.000	0.000	0.000
182	A	185	SER	0	0.070	0.034	14.423	-0.552	-0.552	0.000	0.000	0.000	0.000
183	A	186	GLY	0	0.097	0.028	16.059	2.547	2.547	0.000	0.000	0.000	0.000
184	A	187	LYS	1	0.951	0.974	17.195	-46.894	-46.894	0.000	0.000	0.000	0.000
185	A	188	ASN	0	-0.019	-0.024	15.864	-1.370	-1.370	0.000	0.000	0.000	0.000
186	A	189	TYR	0	0.092	0.037	8.120	1.707	1.707	0.000	0.000	0.000	0.000
187	A	190	GLY	0	0.054	0.026	13.678	2.393	2.393	0.000	0.000	0.000	0.000
188	A	191	ARG	1	0.828	0.918	16.128	-56.358	-56.358	0.000	0.000	0.000	0.000
189	A	192	VAL	0	0.039	0.013	10.041	-0.984	-0.984	0.000	0.000	0.000	0.000
190	A	193	VAL	0	0.029	0.015	11.450	1.677	1.677	0.000	0.000	0.000	0.000
191	A	194	TYR	0	-0.012	-0.008	13.387	-2.270	-2.270	0.000	0.000	0.000	0.000
192	A	195	GLU	-1	-0.851	-0.931	14.476	57.590	57.590	0.000	0.000	0.000	0.000
193	A	196	GLY	0	0.054	0.014	12.047	-0.771	-0.771	0.000	0.000	0.000	0.000
194	A	197	LEU	0	-0.005	0.005	12.957	-0.956	-0.956	0.000	0.000	0.000	0.000
195	A	198	LYO	1	0.853	0.933	15.179	-54.531	-54.531	0.000	0.000	0.000	0.000
196	A	199	GLY	0	-0.006	-0.003	15.593	-2.573	-2.573	0.000	0.000	0.000	0.000
197	A	200	GLY	0	0.032	0.018	15.761	-0.422	-0.422	0.000	0.000	0.000	0.000
198	A	201	LEU	0	-0.024	0.004	9.288	-1.044	-1.044	0.000	0.000	0.000	0.000
199	A	202	ASP	-1	-0.793	-0.869	12.996	67.395	67.395	0.000	0.000	0.000	0.000
200	A	203	PHE	0	-0.010	-0.013	10.773	-4.017	-4.017	0.000	0.000	0.000	0.000
201	A	204	LEU	0	-0.058	-0.018	8.674	3.494	3.494	0.000	0.000	0.000	0.000
203	A	206	ASP	-1	-0.764	-0.869	6.655	88.798	88.798	0.000	0.000	0.000	0.000
207	A	209	ASN	0	0.013	0.007	5.756	-4.374	-4.374	0.000	0.000	0.000	0.000
208	A	210	ILE	0	-0.038	0.000	8.471	-10.044	-10.044	0.000	0.000	0.000	0.000
209	A	211	ASN	0	-0.016	-0.003	10.323	-2.920	-2.920	0.000	0.000	0.000	0.000
210	A	212	SER	0	0.006	-0.013	13.140	-2.338	-2.338	0.000	0.000	0.000	0.000
211	A	213	GLN	0	0.030	-0.001	12.445	-1.270	-1.270	0.000	0.000	0.000	0.000
212	A	214	PRO	0	-0.009	-0.004	17.624	-1.111	-1.111	0.000	0.000	0.000	0.000
213	A	215	PHE	0	-0.028	0.003	13.160	-1.591	-1.591	0.000	0.000	0.000	0.000
214	A	216	MET	0	-0.052	-0.007	12.526	-0.282	-0.282	0.000	0.000	0.000	0.000
215	A	217	ARG	1	0.836	0.937	17.054	-50.251	-50.251	0.000	0.000	0.000	0.000
216	A	218	TRP	0	0.025	0.007	16.799	-0.208	-0.208	0.000	0.000	0.000	0.000
217	A	219	ARG	1	0.937	0.977	17.833	-46.178	-46.178	0.000	0.000	0.000	0.000
218	A	220	GLU	-1	-0.915	-0.952	19.591	50.934	50.934	0.000	0.000	0.000	0.000
219	A	221	ARG	1	0.828	0.880	12.164	-75.515	-75.515	0.000	0.000	0.000	0.000
220	A	222	PHE	0	-0.018	-0.004	14.653	0.341	0.341	0.000	0.000	0.000	0.000
221	A	223	LEU	0	0.009	0.007	17.826	-0.383	-0.383	0.000	0.000	0.000	0.000
222	A	224	ASN	0	-0.063	-0.034	18.444	-1.893	-1.893	0.000	0.000	0.000	0.000
223	A	225	CYS	0	0.000	0.001	13.502	0.412	0.412	0.000	0.000	0.000	0.000
224	A	226	LEU	0	0.053	0.036	16.767	0.451	0.451	0.000	0.000	0.000	0.000
225	A	227	GLU	-1	-0.772	-0.833	19.627	44.303	44.303	0.000	0.000	0.000	0.000
226	A	228	GLY	0	-0.041	-0.033	17.927	-0.825	-0.825	0.000	0.000	0.000	0.000
227	A	229	ILE	0	0.032	0.001	15.350	0.206	0.206	0.000	0.000	0.000	0.000
228	A	230	ASN	0	0.005	0.005	18.447	-1.660	-1.660	0.000	0.000	0.000	0.000
229	A	231	ARG	1	0.877	0.946	21.506	-49.340	-49.340	0.000	0.000	0.000	0.000
230	A	232	ALA	0	0.003	0.005	18.775	-1.358	-1.358	0.000	0.000	0.000	0.000
231	A	233	ALA	0	0.030	0.027	20.695	-0.571	-0.571	0.000	0.000	0.000	0.000
232	A	234	ALA	0	-0.021	-0.013	22.375	-1.448	-1.448	0.000	0.000	0.000	0.000
233	A	235	ALA	0	-0.066	-0.037	22.598	-1.485	-1.485	0.000	0.000	0.000	0.000
234	A	236	THR	0	-0.006	-0.019	20.055	-0.238	-0.238	0.000	0.000	0.000	0.000
235	A	237	GLY	0	0.051	0.014	23.470	-0.862	-0.862	0.000	0.000	0.000	0.000
236	A	238	GLU	-1	-0.816	-0.859	19.312	58.309	58.309	0.000	0.000	0.000	0.000
237	A	239	VAL	0	0.038	0.014	19.783	-0.288	-0.288	0.000	0.000	0.000	0.000
238	A	240	LYS	1	0.792	0.907	16.446	-61.824	-61.824	0.000	0.000	0.000	0.000
239	A	241	GLY	0	0.035	0.008	15.494	-2.806	-2.806	0.000	0.000	0.000	0.000
240	A	242	SER	0	-0.002	-0.017	11.206	5.081	5.081	0.000	0.000	0.000	0.000
241	A	243	TYR	0	-0.032	-0.016	7.366	-8.587	-8.587	0.000	0.000	0.000	0.000
242	A	244	LEU	0	-0.005	0.003	10.285	3.329	3.329	0.000	0.000	0.000	0.000
243	A	245	ASN	0	0.005	-0.002	8.344	-6.262	-6.262	0.000	0.000	0.000	0.000
244	A	246	ILE	0	-0.037	-0.026	11.248	-4.079	-4.079	0.000	0.000	0.000	0.000
245	A	247	THR	0	0.005	-0.014	10.401	-4.733	-4.733	0.000	0.000	0.000	0.000
246	A	248	ALA	0	-0.020	-0.025	13.355	-0.965	-0.965	0.000	0.000	0.000	0.000
247	A	249	ALA	0	0.033	0.024	16.529	0.693	0.693	0.000	0.000	0.000	0.000
248	A	250	THR	0	0.024	0.016	19.083	-0.235	-0.235	0.000	0.000	0.000	0.000
249	A	251	MET	0	0.058	0.020	19.671	1.822	1.822	0.000	0.000	0.000	0.000
250	A	252	GLU	-1	-0.808	-0.874	21.891	44.034	44.034	0.000	0.000	0.000	0.000
251	A	253	GLU	-1	-0.861	-0.933	19.687	49.276	49.276	0.000	0.000	0.000	0.000
252	A	254	VAL	0	0.025	0.007	16.786	0.809	0.809	0.000	0.000	0.000	0.000
253	A	255	TYR	0	-0.016	-0.056	18.929	1.556	1.556	0.000	0.000	0.000	0.000
254	A	256	LYS	1	0.875	0.952	21.710	-45.218	-45.218	0.000	0.000	0.000	0.000
255	A	257	ARG	1	0.711	0.838	15.977	-59.031	-59.031	0.000	0.000	0.000	0.000
256	A	258	ALA	0	0.038	0.020	18.446	0.832	0.832	0.000	0.000	0.000	0.000
257	A	259	GLU	-1	-0.838	-0.926	19.321	44.257	44.257	0.000	0.000	0.000	0.000
258	A	260	TYR	0	-0.063	-0.029	20.870	-1.799	-1.799	0.000	0.000	0.000	0.000
259	A	261	ALA	0	0.012	-0.005	17.799	-0.435	-0.435	0.000	0.000	0.000	0.000
260	A	262	LYS	1	0.928	0.966	19.804	-43.642	-43.642	0.000	0.000	0.000	0.000
261	A	263	ALA	0	-0.046	-0.013	22.398	-1.218	-1.218	0.000	0.000	0.000	0.000
262	A	264	ILE	0	-0.095	-0.049	19.775	-1.336	-1.336	0.000	0.000	0.000	0.000
263	A	265	GLY	0	-0.006	0.002	23.219	0.038	0.038	0.000	0.000	0.000	0.000
264	A	266	SER	0	-0.071	-0.038	16.443	1.152	1.152	0.000	0.000	0.000	0.000
265	A	267	VAL	0	0.039	0.023	16.812	-1.025	-1.025	0.000	0.000	0.000	0.000
266	A	268	VAL	0	-0.034	-0.023	12.677	0.522	0.522	0.000	0.000	0.000	0.000
267	A	269	VAL	0	-0.009	0.003	13.481	-0.734	-0.734	0.000	0.000	0.000	0.000
268	A	270	MET	0	-0.048	-0.005	5.256	1.693	1.693	0.000	0.000	0.000	0.000
269	A	271	ILE	0	-0.008	-0.003	10.147	-4.809	-4.809	0.000	0.000	0.000	0.000
270	A	272	ASP	-1	-0.766	-0.897	7.817	110.265	110.265	0.000	0.000	0.000	0.000
271	A	273	LEU	0	-0.020	-0.019	8.173	-7.423	-7.423	0.000	0.000	0.000	0.000
272	A	274	VAL	0	-0.038	-0.013	9.970	-6.101	-6.101	0.000	0.000	0.000	0.000
273	A	275	MET	0	-0.037	0.011	12.085	-6.576	-6.576	0.000	0.000	0.000	0.000
274	A	276	GLY	0	-0.001	0.004	13.775	-4.713	-4.713	0.000	0.000	0.000	0.000
275	A	277	TYR	0	0.026	-0.002	13.420	-0.569	-0.569	0.000	0.000	0.000	0.000
276	A	278	THR	0	0.028	0.023	16.951	-0.316	-0.316	0.000	0.000	0.000	0.000
277	A	279	ALA	0	0.037	0.011	17.451	-1.222	-1.222	0.000	0.000	0.000	0.000
278	A	280	ILE	0	-0.039	-0.011	12.608	0.088	0.088	0.000	0.000	0.000	0.000
279	A	281	GLN	0	0.040	0.009	16.469	-0.673	-0.673	0.000	0.000	0.000	0.000
280	A	282	SER	0	-0.015	-0.001	19.446	-1.138	-1.138	0.000	0.000	0.000	0.000
281	A	283	ILE	0	-0.004	-0.001	15.964	-1.230	-1.230	0.000	0.000	0.000	0.000
282	A	284	ALA	0	0.030	0.018	17.604	0.235	0.235	0.000	0.000	0.000	0.000
283	A	285	TYR	0	-0.016	-0.009	19.177	-1.158	-1.158	0.000	0.000	0.000	0.000
284	A	286	TRP	0	-0.017	-0.012	19.092	0.109	0.109	0.000	0.000	0.000	0.000
285	A	287	ALA	0	0.002	-0.004	18.402	-0.953	-0.953	0.000	0.000	0.000	0.000
286	A	288	ARG	1	0.810	0.892	20.478	-48.565	-48.565	0.000	0.000	0.000	0.000
287	A	289	GLU	-1	-0.990	-0.988	23.256	39.509	39.509	0.000	0.000	0.000	0.000
288	A	290	ASN	0	-0.056	-0.025	22.815	-2.783	-2.783	0.000	0.000	0.000	0.000
289	A	291	ASP	-1	-0.976	-0.973	23.371	44.949	44.949	0.000	0.000	0.000	0.000
290	A	292	MET	0	-0.073	-0.017	17.286	1.683	1.683	0.000	0.000	0.000	0.000
291	A	293	LEU	0	-0.048	-0.017	15.403	0.270	0.270	0.000	0.000	0.000	0.000
292	A	294	LEU	0	0.026	0.008	13.694	1.358	1.358	0.000	0.000	0.000	0.000
293	A	295	HIS	0	0.003	-0.012	5.475	-7.252	-7.252	0.000	0.000	0.000	0.000
294	A	296	LEU	0	0.008	0.001	8.193	-1.879	-1.879	0.000	0.000	0.000	0.000
298	A	300	GLY	0	0.043	0.021	6.531	-10.936	-10.936	0.000	0.000	0.000	0.000
299	A	301	ASN	0	0.041	0.027	5.735	-17.044	-17.044	0.000	0.000	0.000	0.000
300	A	302	SER	0	-0.008	-0.021	5.883	-7.602	-7.602	0.000	0.000	0.000	0.000
301	A	303	THR	0	-0.051	-0.017	8.373	-8.521	-8.521	0.000	0.000	0.000	0.000
302	A	304	TYR	0	0.070	0.021	10.029	-5.483	-5.483	0.000	0.000	0.000	0.000
303	A	305	ALA	0	-0.013	0.004	9.193	-3.695	-3.695	0.000	0.000	0.000	0.000
304	A	306	ARG	1	0.813	0.925	9.051	-93.444	-93.444	0.000	0.000	0.000	0.000
305	A	307	GLN	0	-0.027	-0.031	11.105	-3.534	-3.534	0.000	0.000	0.000	0.000
306	A	308	LYS	1	0.878	0.955	14.808	-56.354	-56.354	0.000	0.000	0.000	0.000
307	A	309	ASN	0	-0.011	-0.015	16.998	0.410	0.410	0.000	0.000	0.000	0.000
308	A	310	HIS	0	-0.022	-0.027	18.095	-3.540	-3.540	0.000	0.000	0.000	0.000
309	A	311	GLY	0	0.024	0.029	15.939	3.057	3.057	0.000	0.000	0.000	0.000
310	A	312	ILE	0	-0.053	-0.033	13.899	-3.850	-3.850	0.000	0.000	0.000	0.000
311	A	313	ASN	0	0.025	0.018	13.041	7.568	7.568	0.000	0.000	0.000	0.000
312	A	314	PHE	0	0.060	0.014	7.130	1.331	1.331	0.000	0.000	0.000	0.000
313	A	315	ARG	1	0.918	0.950	10.750	-64.113	-64.113	0.000	0.000	0.000	0.000
314	A	316	VAL	0	-0.007	0.005	13.280	-2.639	-2.639	0.000	0.000	0.000	0.000
315	A	317	ILE	0	-0.021	0.003	9.418	-1.798	-1.798	0.000	0.000	0.000	0.000
316	A	318	CYS	0	-0.030	-0.005	10.305	0.873	0.873	0.000	0.000	0.000	0.000
317	A	319	LYS	1	0.859	0.924	12.258	-57.776	-57.776	0.000	0.000	0.000	0.000
318	A	320	TRP	0	0.045	-0.002	14.683	-1.576	-1.576	0.000	0.000	0.000	0.000
319	A	321	MET	0	-0.007	0.001	10.586	-1.512	-1.512	0.000	0.000	0.000	0.000
320	A	322	ARG	1	0.796	0.913	13.813	-59.483	-59.483	0.000	0.000	0.000	0.000
321	A	323	MET	0	-0.035	-0.016	15.823	-2.593	-2.593	0.000	0.000	0.000	0.000
322	A	324	SER	0	-0.054	-0.039	15.954	-2.674	-2.674	0.000	0.000	0.000	0.000
323	A	325	GLY	0	0.020	0.016	16.659	-2.054	-2.054	0.000	0.000	0.000	0.000
324	A	326	VAL	0	-0.005	0.001	11.484	-0.670	-0.670	0.000	0.000	0.000	0.000
325	A	327	ASP	-1	-0.700	-0.829	14.518	62.428	62.428	0.000	0.000	0.000	0.000
326	A	328	HIS	1	0.765	0.863	9.367	-89.420	-89.420	0.000	0.000	0.000	0.000
327	A	329	ILE	0	0.023	0.011	6.942	-2.224	-2.224	0.000	0.000	0.000	0.000
332	A	334	VAL	0	0.015	0.031	7.247	-10.761	-10.761	0.000	0.000	0.000	0.000
333	A	335	VAL	0	-0.025	-0.019	9.468	-3.249	-3.249	0.000	0.000	0.000	0.000
334	A	336	GLY	0	0.013	0.015	6.972	-3.490	-3.490	0.000	0.000	0.000	0.000
338	A	340	GLY	0	0.005	-0.026	5.881	12.257	12.257	0.000	0.000	0.000	0.000
339	A	341	ASP	-1	-0.819	-0.907	8.199	66.851	66.851	0.000	0.000	0.000	0.000
340	A	342	PRO	0	-0.003	-0.007	11.609	2.206	2.206	0.000	0.000	0.000	0.000
341	A	343	LEU	0	-0.003	0.003	13.209	-0.135	-0.135	0.000	0.000	0.000	0.000
342	A	344	MET	0	-0.023	0.004	11.669	-1.913	-1.913	0.000	0.000	0.000	0.000
343	A	345	ILE	0	-0.029	0.003	7.267	2.139	2.139	0.000	0.000	0.000	0.000
344	A	346	M3L	1	0.886	0.949	10.831	-64.096	-64.096	0.000	0.000	0.000	0.000
345	A	347	GLY	0	0.077	0.052	14.129	-2.192	-2.192	0.000	0.000	0.000	0.000
346	A	348	PHE	0	-0.028	-0.017	8.487	-0.760	-0.760	0.000	0.000	0.000	0.000
347	A	349	TYR	0	-0.040	-0.049	7.360	-3.424	-3.424	0.000	0.000	0.000	0.000
348	A	350	ASP	-1	-0.884	-0.939	12.863	59.073	59.073	0.000	0.000	0.000	0.000
349	A	351	ILE	0	-0.043	-0.021	14.887	-2.863	-2.863	0.000	0.000	0.000	0.000
350	A	352	LEU	0	-0.037	-0.020	10.095	-1.995	-1.995	0.000	0.000	0.000	0.000
351	A	353	ARG	1	0.826	0.899	13.898	-76.627	-76.627	0.000	0.000	0.000	0.000
352	A	354	LEU	0	0.020	0.034	16.790	-2.236	-2.236	0.000	0.000	0.000	0.000
353	A	355	THR	0	-0.027	-0.078	20.195	1.286	1.286	0.000	0.000	0.000	0.000
354	A	356	GLU	-1	-0.851	-0.866	23.337	43.335	43.335	0.000	0.000	0.000	0.000
355	A	357	LEU	0	-0.069	-0.030	19.446	1.866	1.866	0.000	0.000	0.000	0.000
356	A	358	GLU	-1	-0.848	-0.924	23.339	39.447	39.447	0.000	0.000	0.000	0.000
357	A	359	VAL	0	-0.043	-0.025	23.670	1.763	1.763	0.000	0.000	0.000	0.000
358	A	360	ASN	0	0.030	0.003	21.454	-1.519	-1.519	0.000	0.000	0.000	0.000
359	A	361	LEU	0	0.007	0.004	21.294	2.149	2.149	0.000	0.000	0.000	0.000
360	A	362	PRO	0	-0.014	0.002	21.092	2.012	2.012	0.000	0.000	0.000	0.000
361	A	363	PHE	0	-0.017	-0.015	17.512	2.655	2.655	0.000	0.000	0.000	0.000
362	A	364	GLY	0	-0.029	-0.015	16.723	3.520	3.520	0.000	0.000	0.000	0.000
363	A	365	ILE	0	-0.041	-0.010	17.247	1.087	1.087	0.000	0.000	0.000	0.000
364	A	366	PHE	0	0.028	-0.008	19.582	-2.421	-2.421	0.000	0.000	0.000	0.000
365	A	367	PHE	0	-0.070	-0.034	22.778	-2.383	-2.383	0.000	0.000	0.000	0.000
366	A	368	GLU	-1	-0.915	-0.942	23.848	40.137	40.137	0.000	0.000	0.000	0.000
367	A	369	MET	0	-0.083	-0.040	20.636	0.018	0.018	0.000	0.000	0.000	0.000
368	A	370	ASP	-1	-0.767	-0.864	24.582	42.519	42.519	0.000	0.000	0.000	0.000
369	A	371	TRP	0	-0.022	-0.017	17.645	0.611	0.611	0.000	0.000	0.000	0.000
370	A	372	ALA	0	-0.009	-0.010	23.762	0.469	0.469	0.000	0.000	0.000	0.000
371	A	373	SER	0	-0.040	-0.023	25.629	-1.101	-1.101	0.000	0.000	0.000	0.000
372	A	374	LEU	0	-0.031	0.006	21.388	0.378	0.378	0.000	0.000	0.000	0.000
373	A	375	ARG	1	0.943	0.977	20.613	-47.268	-47.268	0.000	0.000	0.000	0.000
374	A	376	ARG	1	0.871	0.937	17.679	-55.426	-55.426	0.000	0.000	0.000	0.000
375	A	377	CYS	0	-0.026	-0.011	12.740	1.771	1.771	0.000	0.000	0.000	0.000
376	A	378	MET	0	0.006	0.007	11.402	0.240	0.240	0.000	0.000	0.000	0.000
377	A	379	PRO	0	-0.014	0.008	8.969	5.789	5.789	0.000	0.000	0.000	0.000
384	A	386	HIS	0	0.027	-0.009	5.817	6.818	6.818	0.000	0.000	0.000	0.000
385	A	387	CYS	0	0.024	0.012	8.516	-5.239	-5.239	0.000	0.000	0.000	0.000
386	A	388	GLY	0	0.031	0.010	11.543	-5.900	-5.900	0.000	0.000	0.000	0.000
387	A	389	GLN	0	0.003	-0.002	9.524	2.067	2.067	0.000	0.000	0.000	0.000
388	A	390	MET	0	-0.011	0.013	11.550	0.753	0.753	0.000	0.000	0.000	0.000
389	A	391	HIS	0	0.041	0.014	14.078	0.446	0.446	0.000	0.000	0.000	0.000
390	A	392	GLN	0	-0.007	-0.024	14.628	1.009	1.009	0.000	0.000	0.000	0.000
391	A	393	LEU	0	0.005	0.010	9.736	-0.184	-0.184	0.000	0.000	0.000	0.000
392	A	394	ILE	0	0.039	0.019	13.445	-0.726	-0.726	0.000	0.000	0.000	0.000
393	A	395	HIS	1	0.881	0.963	16.217	-64.367	-64.367	0.000	0.000	0.000	0.000
394	A	396	TYR	0	-0.026	-0.037	13.146	-4.106	-4.106	0.000	0.000	0.000	0.000
395	A	397	LEU	0	0.029	0.021	9.288	-0.476	-0.476	0.000	0.000	0.000	0.000
396	A	398	GLY	0	-0.020	0.008	13.075	-0.867	-0.867	0.000	0.000	0.000	0.000
397	A	399	ASP	-1	-0.754	-0.876	15.235	63.070	63.070	0.000	0.000	0.000	0.000
398	A	400	ASP	-1	-0.872	-0.922	15.462	63.889	63.889	0.000	0.000	0.000	0.000
399	A	401	VAL	0	0.021	0.002	9.451	2.292	2.292	0.000	0.000	0.000	0.000
400	A	402	VAL	0	0.012	0.017	9.175	-4.233	-4.233	0.000	0.000	0.000	0.000
401	A	403	LEU	0	-0.011	-0.007	8.385	11.415	11.415	0.000	0.000	0.000	0.000
407	A	409	THR	0	-0.047	-0.028	5.959	-21.402	-21.402	0.000	0.000	0.000	0.000
408	A	410	ILE	0	-0.042	-0.042	6.292	-14.529	-14.529	0.000	0.000	0.000	0.000
409	A	411	GLY	0	0.001	0.011	7.105	-8.586	-8.586	0.000	0.000	0.000	0.000
410	A	412	HIS	0	-0.040	-0.012	8.587	-6.065	-6.065	0.000	0.000	0.000	0.000
411	A	413	PRO	0	0.017	0.008	11.647	-2.049	-2.049	0.000	0.000	0.000	0.000
412	A	414	ASP	-1	-0.828	-0.903	14.798	53.535	53.535	0.000	0.000	0.000	0.000
413	A	415	GLY	0	-0.016	-0.014	14.577	-2.865	-2.865	0.000	0.000	0.000	0.000
414	A	416	ILE	0	0.001	-0.004	11.000	1.355	1.355	0.000	0.000	0.000	0.000
415	A	417	GLN	0	-0.040	-0.032	12.822	0.902	0.902	0.000	0.000	0.000	0.000
416	A	418	ALA	0	0.027	0.023	15.414	-0.065	-0.065	0.000	0.000	0.000	0.000
417	A	419	GLY	0	0.046	0.017	11.382	0.066	0.066	0.000	0.000	0.000	0.000
418	A	420	ALA	0	-0.030	0.000	11.337	3.070	3.070	0.000	0.000	0.000	0.000
419	A	421	THR	0	-0.008	-0.023	12.290	-1.736	-1.736	0.000	0.000	0.000	0.000
420	A	422	ALA	0	-0.039	-0.010	13.112	-2.025	-2.025	0.000	0.000	0.000	0.000
421	A	423	ASN	0	0.001	-0.002	8.465	-2.202	-2.202	0.000	0.000	0.000	0.000
422	A	424	ARG	1	0.817	0.900	12.168	-62.391	-62.391	0.000	0.000	0.000	0.000
423	A	425	VAL	0	0.019	-0.001	14.887	-2.482	-2.482	0.000	0.000	0.000	0.000
424	A	426	ALA	0	-0.018	-0.005	14.115	-2.250	-2.250	0.000	0.000	0.000	0.000
425	A	427	LEU	0	0.011	-0.007	13.912	-1.615	-1.615	0.000	0.000	0.000	0.000
426	A	428	GLU	-1	-0.764	-0.891	15.823	54.416	54.416	0.000	0.000	0.000	0.000
427	A	429	ALA	0	0.014	0.007	19.292	-2.702	-2.702	0.000	0.000	0.000	0.000
428	A	430	MET	0	-0.059	-0.008	17.710	-2.951	-2.951	0.000	0.000	0.000	0.000
429	A	431	VAL	0	-0.019	-0.007	18.468	-1.771	-1.771	0.000	0.000	0.000	0.000
430	A	432	LEU	0	-0.002	0.008	21.068	-2.221	-2.221	0.000	0.000	0.000	0.000
431	A	433	ALA	0	0.054	0.020	23.482	-1.903	-1.903	0.000	0.000	0.000	0.000
432	A	434	ARG	1	0.758	0.852	19.717	-58.446	-58.446	0.000	0.000	0.000	0.000
433	A	435	ASN	0	-0.013	-0.016	24.460	-0.366	-0.366	0.000	0.000	0.000	0.000
434	A	436	GLU	-1	-0.958	-0.981	26.867	40.494	40.494	0.000	0.000	0.000	0.000
435	A	437	GLY	0	-0.020	0.000	28.122	-1.672	-1.672	0.000	0.000	0.000	0.000
436	A	438	ALA	0	-0.045	-0.011	25.769	-0.489	-0.489	0.000	0.000	0.000	0.000
437	A	439	ASP	-1	-0.881	-0.947	26.475	48.021	48.021	0.000	0.000	0.000	0.000
438	A	440	TYR	0	-0.009	-0.025	19.405	1.884	1.884	0.000	0.000	0.000	0.000
439	A	441	PHE	0	-0.012	-0.015	17.680	2.543	2.543	0.000	0.000	0.000	0.000
440	A	442	ASN	0	0.067	0.048	21.961	1.557	1.557	0.000	0.000	0.000	0.000
441	A	443	ASN	0	0.022	0.000	21.131	2.808	2.808	0.000	0.000	0.000	0.000
442	A	444	GLN	0	-0.060	-0.042	23.000	1.268	1.268	0.000	0.000	0.000	0.000
443	A	445	VAL	0	-0.020	0.000	24.634	-1.399	-1.399	0.000	0.000	0.000	0.000
444	A	446	GLY	0	0.078	0.034	20.879	-0.009	-0.009	0.000	0.000	0.000	0.000
445	A	447	PRO	0	-0.012	-0.016	19.561	0.412	0.412	0.000	0.000	0.000	0.000
446	A	448	GLN	0	-0.039	-0.011	20.737	0.045	0.045	0.000	0.000	0.000	0.000
447	A	449	ILE	0	0.051	0.036	21.337	-0.725	-0.725	0.000	0.000	0.000	0.000
448	A	450	LEU	0	-0.009	0.004	16.158	-0.284	-0.284	0.000	0.000	0.000	0.000
449	A	451	ARG	1	0.910	0.936	19.986	-51.170	-51.170	0.000	0.000	0.000	0.000
450	A	452	ASP	-1	-0.902	-0.949	22.307	43.398	43.398	0.000	0.000	0.000	0.000
451	A	453	ALA	0	-0.005	-0.004	20.685	-1.192	-1.192	0.000	0.000	0.000	0.000
452	A	454	ALA	0	-0.031	-0.016	20.042	-0.225	-0.225	0.000	0.000	0.000	0.000
453	A	455	LYS	1	0.936	0.974	21.640	-42.104	-42.104	0.000	0.000	0.000	0.000
454	A	456	THR	0	-0.029	-0.011	24.530	-1.788	-1.788	0.000	0.000	0.000	0.000
455	A	457	CYS	0	-0.043	0.001	18.933	0.407	0.407	0.000	0.000	0.000	0.000
456	A	458	GLY	0	0.051	0.028	20.653	1.419	1.419	0.000	0.000	0.000	0.000
457	A	459	PRO	0	0.017	0.003	16.707	1.054	1.054	0.000	0.000	0.000	0.000
458	A	460	LEU	0	0.063	0.024	15.555	3.724	3.724	0.000	0.000	0.000	0.000
459	A	461	GLN	0	-0.075	-0.031	17.082	0.464	0.464	0.000	0.000	0.000	0.000
460	A	462	THR	0	0.000	-0.004	16.101	-0.082	-0.082	0.000	0.000	0.000	0.000
461	A	463	ALA	0	0.002	0.002	12.785	1.822	1.822	0.000	0.000	0.000	0.000
462	A	464	LEU	0	-0.032	-0.025	14.177	2.879	2.879	0.000	0.000	0.000	0.000
463	A	465	ASP	-1	-0.899	-0.950	16.356	55.329	55.329	0.000	0.000	0.000	0.000
464	A	466	LEU	0	-0.067	-0.016	11.725	-0.902	-0.902	0.000	0.000	0.000	0.000
465	A	467	TRP	0	0.012	-0.018	8.666	2.365	2.365	0.000	0.000	0.000	0.000
466	A	468	LYS	1	0.907	0.966	13.110	-53.594	-53.594	0.000	0.000	0.000	0.000
467	A	469	ASP	-1	-0.926	-0.959	15.633	60.055	60.055	0.000	0.000	0.000	0.000
468	A	470	ILE	0	-0.058	-0.013	9.354	0.267	0.267	0.000	0.000	0.000	0.000
469	A	471	SER	0	-0.036	-0.029	11.948	0.615	0.615	0.000	0.000	0.000	0.000
470	A	472	PHE	0	-0.001	0.006	7.072	1.257	1.257	0.000	0.000	0.000	0.000
471	A	473	ASN	0	-0.033	-0.019	11.757	3.026	3.026	0.000	0.000	0.000	0.000
472	A	474	TYR	0	0.039	0.007	12.411	-0.868	-0.868	0.000	0.000	0.000	0.000
473	A	475	THR	0	-0.011	-0.004	14.177	1.215	1.215	0.000	0.000	0.000	0.000
474	A	476	SER	0	0.000	0.010	12.579	3.164	3.164	0.000	0.000	0.000	0.000
475	A	477	THR	0	-0.027	-0.017	12.164	-3.066	-3.066	0.000	0.000	0.000	0.000
476	A	478	ASP	-1	-0.891	-0.933	11.123	74.376	74.376	0.000	0.000	0.000	0.000
477	A	479	THR	0	0.012	-0.006	13.063	0.622	0.622	0.000	0.000	0.000	0.000
478	A	480	ALA	0	0.058	0.022	15.877	-1.406	-1.406	0.000	0.000	0.000	0.000
479	A	481	ASP	-1	-0.800	-0.903	18.461	51.217	51.217	0.000	0.000	0.000	0.000
480	A	482	PHE	0	-0.016	-0.013	21.830	-2.553	-2.553	0.000	0.000	0.000	0.000
481	A	483	ALA	0	0.000	0.001	22.286	2.009	2.009	0.000	0.000	0.000	0.000
482	A	484	GLU	-1	-0.950	-0.973	24.085	42.549	42.549	0.000	0.000	0.000	0.000
483	B	4	SER	0	0.050	0.022	24.315	-0.326	-0.326	0.000	0.000	0.000	0.000
484	B	5	VAL	0	-0.050	-0.043	23.686	-0.073	-0.073	0.000	0.000	0.000	0.000
485	B	6	SER	0	0.060	0.038	19.681	-0.168	-0.168	0.000	0.000	0.000	0.000
486	B	7	GLU	-1	-0.844	-0.921	20.879	45.914	45.914	0.000	0.000	0.000	0.000
487	B	8	ARG	1	0.860	0.922	22.729	-39.994	-39.994	0.000	0.000	0.000	0.000
488	B	9	THR	0	-0.112	-0.064	21.552	-0.171	-0.171	0.000	0.000	0.000	0.000
489	B	10	ARG	1	0.883	0.948	18.567	-53.448	-53.448	0.000	0.000	0.000	0.000
490	B	11	ILE	0	-0.021	-0.016	15.641	-2.697	-2.697	0.000	0.000	0.000	0.000
491	B	12	LYS	1	0.981	0.981	18.433	-43.998	-43.998	0.000	0.000	0.000	0.000
492	B	13	SER	0	-0.034	-0.004	18.966	-0.657	-0.657	0.000	0.000	0.000	0.000
493	B	14	ASP	-1	-0.823	-0.918	18.704	51.362	51.362	0.000	0.000	0.000	0.000
494	B	15	ARG	1	0.826	0.934	11.856	-74.281	-74.281	0.000	0.000	0.000	0.000
495	B	16	TYR	0	-0.074	-0.080	12.295	1.611	1.611	0.000	0.000	0.000	0.000
496	B	17	GLU	-1	-0.963	-0.954	14.899	56.603	56.603	0.000	0.000	0.000	0.000
497	B	18	SER	0	-0.029	-0.016	12.330	1.149	1.149	0.000	0.000	0.000	0.000
498	B	19	GLY	0	0.053	0.025	11.354	-4.051	-4.051	0.000	0.000	0.000	0.000
499	B	20	VAL	0	-0.009	-0.001	9.342	3.899	3.899	0.000	0.000	0.000	0.000
500	B	21	ILE	0	-0.022	-0.010	11.567	-6.837	-6.837	0.000	0.000	0.000	0.000
501	B	22	PRO	0	0.004	-0.004	12.282	4.713	4.713	0.000	0.000	0.000	0.000
502	B	23	TYR	0	0.061	0.010	6.714	-5.005	-5.005	0.000	0.000	0.000	0.000
503	B	24	ALA	0	-0.015	-0.015	13.393	-2.489	-2.489	0.000	0.000	0.000	0.000
504	B	25	LYS	1	0.867	0.930	16.140	-60.077	-60.077	0.000	0.000	0.000	0.000
505	B	26	MET	0	-0.043	-0.011	8.952	-1.739	-1.739	0.000	0.000	0.000	0.000
506	B	27	GLY	0	-0.006	-0.013	14.700	0.894	0.894	0.000	0.000	0.000	0.000
507	B	28	TYR	0	-0.033	-0.012	11.319	-0.051	-0.051	0.000	0.000	0.000	0.000
508	B	29	TRP	0	-0.003	-0.009	16.310	0.270	0.270	0.000	0.000	0.000	0.000
509	B	30	ASP	-1	-0.860	-0.943	19.634	47.722	47.722	0.000	0.000	0.000	0.000
510	B	31	ALA	0	-0.041	-0.013	22.952	-0.438	-0.438	0.000	0.000	0.000	0.000
511	B	32	ALA	0	-0.042	-0.012	26.080	-1.460	-1.460	0.000	0.000	0.000	0.000
512	B	33	TYR	0	-0.076	-0.055	23.789	-0.769	-0.769	0.000	0.000	0.000	0.000
513	B	34	SER	0	-0.041	-0.024	26.205	-0.983	-0.983	0.000	0.000	0.000	0.000
514	B	35	VAL	0	-0.008	-0.009	25.209	0.766	0.766	0.000	0.000	0.000	0.000
515	B	36	LYS	1	0.923	0.973	24.038	-50.035	-50.035	0.000	0.000	0.000	0.000
516	B	37	ASP	-1	-0.869	-0.937	26.970	39.781	39.781	0.000	0.000	0.000	0.000
517	B	38	THR	0	-0.047	-0.042	25.107	-0.318	-0.318	0.000	0.000	0.000	0.000
518	B	39	ASP	-1	-0.782	-0.858	22.668	52.036	52.036	0.000	0.000	0.000	0.000
519	B	40	ILE	0	-0.009	-0.003	18.347	-1.930	-1.930	0.000	0.000	0.000	0.000
520	B	41	LEU	0	-0.053	-0.012	20.394	1.815	1.815	0.000	0.000	0.000	0.000
521	B	42	ALA	0	0.010	0.019	17.414	-0.314	-0.314	0.000	0.000	0.000	0.000
522	B	43	LEU	0	0.006	0.008	19.356	-0.144	-0.144	0.000	0.000	0.000	0.000
523	B	44	PHE	0	0.012	-0.006	13.562	0.711	0.711	0.000	0.000	0.000	0.000
524	B	45	ARG	1	0.767	0.852	18.563	-52.241	-52.241	0.000	0.000	0.000	0.000
525	B	46	ILE	0	0.006	-0.015	16.116	3.067	3.067	0.000	0.000	0.000	0.000
526	B	47	THR	0	0.025	0.021	17.413	-3.270	-3.270	0.000	0.000	0.000	0.000
527	B	48	HYP	0	0.006	-0.009	16.947	5.483	5.483	0.000	0.000	0.000	0.000
528	B	49	GLN	0	-0.027	-0.001	13.291	-6.719	-6.719	0.000	0.000	0.000	0.000
529	B	50	PRO	0	0.045	0.004	17.635	-1.525	-1.525	0.000	0.000	0.000	0.000
530	B	51	GLY	0	-0.030	-0.010	20.387	1.271	1.271	0.000	0.000	0.000	0.000
531	B	52	VAL	0	-0.057	-0.014	16.497	0.709	0.709	0.000	0.000	0.000	0.000
532	B	53	ASP	-1	-0.853	-0.926	19.150	53.863	53.863	0.000	0.000	0.000	0.000
533	B	54	PRO	0	0.022	0.004	19.145	3.165	3.165	0.000	0.000	0.000	0.000
534	B	55	VAL	0	-0.003	0.004	19.656	1.864	1.864	0.000	0.000	0.000	0.000
535	B	56	GLU	-1	-0.797	-0.904	13.925	79.542	79.542	0.000	0.000	0.000	0.000
536	B	57	ALA	0	0.008	0.009	15.064	5.348	5.348	0.000	0.000	0.000	0.000
537	B	58	ALA	0	0.003	-0.005	14.616	4.187	4.187	0.000	0.000	0.000	0.000
538	B	59	ALA	0	-0.010	-0.008	15.571	2.103	2.103	0.000	0.000	0.000	0.000
539	B	60	ALA	0	0.009	0.002	11.173	4.071	4.071	0.000	0.000	0.000	0.000
540	B	61	VAL	0	0.000	0.010	10.693	8.302	8.302	0.000	0.000	0.000	0.000
541	B	62	ALA	0	-0.001	0.014	11.386	3.566	3.566	0.000	0.000	0.000	0.000
542	B	63	GLY	0	0.039	0.006	11.270	0.655	0.655	0.000	0.000	0.000	0.000
543	B	64	GLU	-1	-0.789	-0.887	5.276	180.685	180.685	0.000	0.000	0.000	0.000
544	B	65	SER	0	-0.044	0.005	7.245	5.116	5.116	0.000	0.000	0.000	0.000
545	B	66	SER	0	-0.007	-0.016	9.875	-6.672	-6.672	0.000	0.000	0.000	0.000
546	B	67	THR	0	-0.012	-0.016	9.554	2.058	2.058	0.000	0.000	0.000	0.000
547	B	68	ALA	0	-0.019	0.007	8.050	2.872	2.872	0.000	0.000	0.000	0.000
550	B	71	THR	0	0.001	-0.003	5.251	-20.112	-20.112	0.000	0.000	0.000	0.000
551	B	72	VAL	0	-0.024	0.009	6.843	7.170	7.170	0.000	0.000	0.000	0.000
552	B	73	VAL	0	0.014	0.000	6.043	1.731	1.731	0.000	0.000	0.000	0.000
553	B	74	TRP	0	0.055	0.014	9.215	-5.623	-5.623	0.000	0.000	0.000	0.000
554	B	75	THR	0	-0.022	-0.043	9.537	-4.857	-4.857	0.000	0.000	0.000	0.000
555	B	76	ASP	-1	-0.754	-0.870	10.360	88.313	88.313	0.000	0.000	0.000	0.000
556	B	77	LEU	0	-0.056	-0.024	12.770	-4.154	-4.154	0.000	0.000	0.000	0.000
557	B	78	LEU	0	-0.100	-0.035	14.784	-3.923	-3.923	0.000	0.000	0.000	0.000
558	B	79	THR	0	-0.048	-0.031	14.130	-0.781	-0.781	0.000	0.000	0.000	0.000
559	B	80	ALA	0	0.029	0.017	17.052	-1.490	-1.490	0.000	0.000	0.000	0.000
560	B	81	CYS	0	-0.010	-0.009	14.710	-0.835	-0.835	0.000	0.000	0.000	0.000
561	B	82	GLU	-1	-0.914	-0.966	16.278	54.562	54.562	0.000	0.000	0.000	0.000
562	B	83	ARG	1	0.807	0.910	18.727	-51.010	-51.010	0.000	0.000	0.000	0.000
563	B	84	TYR	0	0.005	-0.006	14.759	-0.794	-0.794	0.000	0.000	0.000	0.000
564	B	85	ARG	1	0.915	0.979	13.737	-65.818	-65.818	0.000	0.000	0.000	0.000
565	B	86	ALA	0	0.028	0.020	14.772	-4.485	-4.485	0.000	0.000	0.000	0.000
566	B	87	LYS	1	0.851	0.921	16.552	-57.915	-57.915	0.000	0.000	0.000	0.000
567	B	88	ALA	0	0.029	0.022	17.838	-1.601	-1.601	0.000	0.000	0.000	0.000
568	B	89	TYR	0	0.009	-0.004	19.525	-1.749	-1.749	0.000	0.000	0.000	0.000
569	B	90	ARG	1	0.873	0.926	22.817	-45.295	-45.295	0.000	0.000	0.000	0.000
570	B	91	VAL	0	-0.009	-0.004	21.325	2.152	2.152	0.000	0.000	0.000	0.000
571	B	92	ASP	-1	-0.834	-0.896	24.009	42.225	42.225	0.000	0.000	0.000	0.000
572	B	93	PRO	0	-0.029	-0.017	25.529	1.827	1.827	0.000	0.000	0.000	0.000
573	B	94	VAL	0	-0.002	0.003	24.576	-0.894	-0.894	0.000	0.000	0.000	0.000
574	B	95	PRO	0	-0.018	-0.013	27.690	-0.721	-0.721	0.000	0.000	0.000	0.000
575	B	96	ASN	0	-0.049	-0.029	30.203	-0.017	-0.017	0.000	0.000	0.000	0.000
576	B	97	SER	0	0.027	0.019	26.720	0.651	0.651	0.000	0.000	0.000	0.000
577	B	98	THR	0	-0.014	-0.009	27.279	-0.964	-0.964	0.000	0.000	0.000	0.000
578	B	99	ASP	-1	-0.936	-0.987	21.924	55.346	55.346	0.000	0.000	0.000	0.000
579	B	100	VAL	0	0.016	0.025	21.601	2.594	2.594	0.000	0.000	0.000	0.000
580	B	101	TYR	0	-0.004	-0.014	21.630	-2.990	-2.990	0.000	0.000	0.000	0.000
581	B	102	PHE	0	-0.018	0.006	21.740	1.974	1.974	0.000	0.000	0.000	0.000
582	B	103	ALA	0	0.018	0.005	18.927	-1.026	-1.026	0.000	0.000	0.000	0.000
583	B	104	PHE	0	-0.010	-0.001	20.224	1.389	1.389	0.000	0.000	0.000	0.000
584	B	105	ILE	0	-0.002	-0.008	15.448	0.345	0.345	0.000	0.000	0.000	0.000
585	B	106	ALA	0	-0.021	-0.004	19.323	-1.044	-1.044	0.000	0.000	0.000	0.000
586	B	107	TYR	0	-0.027	-0.054	13.520	0.920	0.920	0.000	0.000	0.000	0.000
587	B	108	GLU	-1	-0.845	-0.915	18.249	49.641	49.641	0.000	0.000	0.000	0.000
588	B	109	CSO	0	0.006	0.000	18.671	1.219	1.219	0.000	0.000	0.000	0.000
589	B	110	ASP	-1	-0.856	-0.948	19.512	52.455	52.455	0.000	0.000	0.000	0.000
590	B	111	LEU	0	-0.095	-0.043	13.847	2.079	2.079	0.000	0.000	0.000	0.000
591	B	112	PHE	0	-0.022	-0.005	14.267	4.486	4.486	0.000	0.000	0.000	0.000
592	B	113	GLU	-1	-0.815	-0.898	16.041	58.019	58.019	0.000	0.000	0.000	0.000
593	B	114	GLU	-1	-0.787	-0.894	17.896	51.901	51.901	0.000	0.000	0.000	0.000
594	B	115	ALA	0	0.014	0.020	21.074	0.595	0.595	0.000	0.000	0.000	0.000
595	B	116	SER	0	0.011	0.001	16.263	0.020	0.020	0.000	0.000	0.000	0.000
596	B	117	LEU	0	0.028	0.012	17.144	2.149	2.149	0.000	0.000	0.000	0.000
597	B	118	SER	0	0.015	0.001	13.863	3.466	3.466	0.000	0.000	0.000	0.000
598	B	119	ASN	0	0.000	0.008	12.369	2.536	2.536	0.000	0.000	0.000	0.000
599	B	120	LEU	0	-0.002	0.011	12.658	3.948	3.948	0.000	0.000	0.000	0.000
600	B	121	THR	0	-0.042	-0.042	12.745	4.738	4.738	0.000	0.000	0.000	0.000
601	B	122	ALA	0	0.045	0.028	8.685	5.494	5.494	0.000	0.000	0.000	0.000
602	B	123	SER	0	0.005	0.001	8.115	12.531	12.531	0.000	0.000	0.000	0.000
603	B	124	ILE	0	-0.056	-0.015	9.720	4.570	4.570	0.000	0.000	0.000	0.000
604	B	125	ILE	0	-0.012	-0.027	10.185	-0.402	-0.402	0.000	0.000	0.000	0.000
605	B	126	GLY	0	0.006	0.025	6.512	3.987	3.987	0.000	0.000	0.000	0.000
608	B	129	PHE	0	-0.001	0.004	8.195	-3.843	-3.843	0.000	0.000	0.000	0.000
609	B	130	GLY	0	0.001	-0.003	5.633	-6.679	-6.679	0.000	0.000	0.000	0.000
610	B	131	PHE	0	-0.003	0.013	6.399	5.020	5.020	0.000	0.000	0.000	0.000
611	B	132	LYS	1	0.863	0.925	8.122	-121.619	-121.619	0.000	0.000	0.000	0.000
612	B	133	ALA	0	-0.028	-0.007	9.883	-7.902	-7.902	0.000	0.000	0.000	0.000
613	B	134	ILE	0	-0.020	-0.014	12.005	-6.241	-6.241	0.000	0.000	0.000	0.000
614	B	135	SER	0	-0.024	0.006	12.385	3.731	3.731	0.000	0.000	0.000	0.000
615	B	136	ALA	0	0.013	0.000	14.472	-0.046	-0.046	0.000	0.000	0.000	0.000
616	B	137	LEU	0	0.000	0.006	12.005	-0.719	-0.719	0.000	0.000	0.000	0.000
617	B	138	ARG	1	0.835	0.933	15.121	-51.719	-51.719	0.000	0.000	0.000	0.000
618	B	139	LEU	0	-0.023	0.009	15.162	-1.236	-1.236	0.000	0.000	0.000	0.000
619	B	140	GLU	-1	-0.766	-0.888	17.403	49.283	49.283	0.000	0.000	0.000	0.000
620	B	141	ASP	-1	-0.769	-0.883	20.847	44.301	44.301	0.000	0.000	0.000	0.000
621	B	142	MET	0	-0.006	-0.006	17.450	3.248	3.248	0.000	0.000	0.000	0.000
622	B	143	ARG	1	0.877	0.957	21.705	-47.516	-47.516	0.000	0.000	0.000	0.000
623	B	144	ILE	0	0.023	-0.017	20.620	1.811	1.811	0.000	0.000	0.000	0.000
624	B	145	PRO	0	-0.005	0.013	23.207	-2.029	-2.029	0.000	0.000	0.000	0.000
625	B	146	HIS	0	0.088	0.024	26.337	0.351	0.351	0.000	0.000	0.000	0.000
626	B	147	SER	0	-0.008	-0.026	26.840	-0.671	-0.671	0.000	0.000	0.000	0.000
627	B	148	TYR	0	0.022	0.009	18.653	0.272	0.272	0.000	0.000	0.000	0.000
628	B	149	LEU	0	0.028	0.020	24.614	0.329	0.329	0.000	0.000	0.000	0.000
629	B	150	LYO	1	0.915	0.972	26.656	-36.450	-36.450	0.000	0.000	0.000	0.000
630	B	151	THR	0	-0.095	-0.045	24.119	-0.083	-0.083	0.000	0.000	0.000	0.000
631	B	152	PHE	0	-0.019	-0.009	20.341	0.571	0.571	0.000	0.000	0.000	0.000
632	B	153	GLN	0	-0.025	-0.007	26.290	-1.704	-1.704	0.000	0.000	0.000	0.000
633	B	154	GLY	0	0.017	0.015	27.969	-1.418	-1.418	0.000	0.000	0.000	0.000
634	B	155	HYP	0	-0.078	-0.053	29.492	0.242	0.242	0.000	0.000	0.000	0.000
635	B	156	ALA	0	0.024	0.031	31.458	-0.897	-0.897	0.000	0.000	0.000	0.000
636	B	157	THR	0	-0.055	-0.038	33.208	-1.241	-1.241	0.000	0.000	0.000	0.000
637	B	158	GLY	0	0.000	-0.019	35.211	-0.489	-0.489	0.000	0.000	0.000	0.000
638	B	159	ILE	0	-0.036	-0.015	36.093	-0.760	-0.760	0.000	0.000	0.000	0.000
639	B	160	ILE	0	0.005	0.017	38.419	-0.457	-0.457	0.000	0.000	0.000	0.000
640	B	161	VAL	0	0.053	0.023	39.785	-0.534	-0.534	0.000	0.000	0.000	0.000
641	B	162	GLU	-1	-0.839	-0.888	37.680	31.068	31.068	0.000	0.000	0.000	0.000
642	B	163	ARG	1	0.807	0.875	40.859	-28.224	-28.224	0.000	0.000	0.000	0.000
643	B	164	GLU	-1	-0.859	-0.926	43.915	26.177	26.177	0.000	0.000	0.000	0.000
644	B	165	ARG	1	0.878	0.950	38.488	-30.535	-30.535	0.000	0.000	0.000	0.000
645	B	166	LEU	0	-0.061	-0.036	41.654	-0.414	-0.414	0.000	0.000	0.000	0.000
646	B	167	ASN	0	-0.005	0.009	45.871	-0.462	-0.462	0.000	0.000	0.000	0.000
647	B	168	LYS	1	0.779	0.885	45.833	-25.987	-25.987	0.000	0.000	0.000	0.000
648	B	169	TYR	0	0.063	0.013	46.484	0.525	0.525	0.000	0.000	0.000	0.000
649	B	170	GLY	0	0.049	0.026	47.563	-0.582	-0.582	0.000	0.000	0.000	0.000
650	B	171	THR	0	-0.033	-0.005	47.070	-0.315	-0.315	0.000	0.000	0.000	0.000
651	B	172	PRO	0	-0.015	0.011	42.226	0.233	0.233	0.000	0.000	0.000	0.000
652	B	173	LEU	0	0.005	0.015	40.264	-0.558	-0.558	0.000	0.000	0.000	0.000
653	B	174	HLU	0	-0.021	0.004	42.038	0.418	0.418	0.000	0.000	0.000	0.000
654	B	175	GLY	0	0.066	0.013	39.784	0.019	0.019	0.000	0.000	0.000	0.000
655	B	176	ALA	0	-0.001	-0.003	39.629	-0.275	-0.275	0.000	0.000	0.000	0.000
656	B	177	THR	0	0.107	0.025	34.586	-0.187	-0.187	0.000	0.000	0.000	0.000
657	B	178	VAL	0	-0.049	-0.022	37.541	-0.754	-0.754	0.000	0.000	0.000	0.000
658	B	179	LYS	1	0.857	0.922	34.677	-32.038	-32.038	0.000	0.000	0.000	0.000
659	B	180	PRO	0	0.017	0.024	38.532	-0.872	-0.872	0.000	0.000	0.000	0.000
660	B	181	LYS	1	0.783	0.888	30.805	-36.004	-36.004	0.000	0.000	0.000	0.000
661	B	182	LEU	0	-0.014	-0.010	31.111	0.186	0.186	0.000	0.000	0.000	0.000
662	B	183	GLY	0	0.028	0.010	35.617	-0.636	-0.636	0.000	0.000	0.000	0.000
663	B	184	LEU	0	-0.053	-0.017	38.595	-0.840	-0.840	0.000	0.000	0.000	0.000
664	B	185	SER	0	0.067	0.032	39.940	0.405	0.405	0.000	0.000	0.000	0.000
665	B	186	GLY	0	0.098	0.027	41.630	0.032	0.032	0.000	0.000	0.000	0.000
666	B	187	LYS	1	0.952	0.975	42.449	-23.714	-23.714	0.000	0.000	0.000	0.000
667	B	188	ASN	0	-0.024	-0.026	44.680	-0.781	-0.781	0.000	0.000	0.000	0.000
668	B	189	TYR	0	0.094	0.040	36.743	-0.179	-0.179	0.000	0.000	0.000	0.000
669	B	190	GLY	0	0.053	0.026	42.810	-0.022	-0.022	0.000	0.000	0.000	0.000
670	B	191	ARG	1	0.831	0.922	45.200	-23.519	-23.519	0.000	0.000	0.000	0.000
671	B	192	VAL	0	0.039	0.014	43.007	-0.430	-0.430	0.000	0.000	0.000	0.000
672	B	193	VAL	0	0.028	0.014	41.986	-0.173	-0.173	0.000	0.000	0.000	0.000
673	B	194	TYR	0	-0.008	-0.004	44.745	-0.538	-0.538	0.000	0.000	0.000	0.000
674	B	195	GLU	-1	-0.851	-0.934	48.422	22.589	22.589	0.000	0.000	0.000	0.000
675	B	196	GLY	0	0.052	0.013	46.033	-0.306	-0.306	0.000	0.000	0.000	0.000
676	B	197	LEU	0	-0.005	0.006	44.122	-0.194	-0.194	0.000	0.000	0.000	0.000
677	B	198	LYO	1	0.852	0.930	47.719	-22.182	-22.182	0.000	0.000	0.000	0.000
678	B	199	GLY	0	-0.010	-0.004	50.400	-0.416	-0.416	0.000	0.000	0.000	0.000
679	B	200	GLY	0	0.030	0.015	49.932	-0.228	-0.228	0.000	0.000	0.000	0.000
680	B	201	LEU	0	-0.022	0.003	43.508	0.061	0.061	0.000	0.000	0.000	0.000
681	B	202	ASP	-1	-0.793	-0.875	43.407	25.940	25.940	0.000	0.000	0.000	0.000
682	B	203	PHE	0	-0.012	-0.012	39.837	0.037	0.037	0.000	0.000	0.000	0.000
683	B	204	LEU	0	-0.055	-0.016	40.457	-0.374	-0.374	0.000	0.000	0.000	0.000
684	B	205	KCX	-1	-0.541	-0.823	32.223	36.232	36.232	0.000	0.000	0.000	0.000
685	B	206	ASP	-1	-0.762	-0.867	33.935	31.719	31.719	0.000	0.000	0.000	0.000
686	B	207	ASP	0	0.190	0.051	33.124	0.424	0.424	0.000	0.000	0.000	0.000
687	B	208	GLU	0	0.156	-0.033	27.431	-0.088	-0.088	0.000	0.000	0.000	0.000
688	B	901	merge:B:AS	-1	-1.576	-0.910	27.231	35.574	35.574	0.000	0.000	0.000	0.000
689	B	209	ASN	0	0.015	0.011	28.091	-0.071	-0.071	0.000	0.000	0.000	0.000
690	B	210	ILE	0	-0.038	-0.001	29.185	-0.439	-0.439	0.000	0.000	0.000	0.000
691	B	211	ASN	0	-0.015	-0.003	27.489	1.482	1.482	0.000	0.000	0.000	0.000
692	B	212	SER	0	0.006	-0.012	31.154	-1.857	-1.857	0.000	0.000	0.000	0.000
693	B	213	GLN	0	0.027	-0.003	30.943	0.324	0.324	0.000	0.000	0.000	0.000
694	B	214	PRO	0	-0.005	-0.003	33.702	-1.017	-1.017	0.000	0.000	0.000	0.000
695	B	215	PHE	0	-0.028	0.003	34.269	-0.882	-0.882	0.000	0.000	0.000	0.000
696	B	216	MET	0	-0.054	-0.008	36.812	-1.138	-1.138	0.000	0.000	0.000	0.000
697	B	217	ARG	1	0.837	0.938	33.345	-31.961	-31.961	0.000	0.000	0.000	0.000
698	B	218	TRP	0	0.031	0.009	34.302	-0.990	-0.990	0.000	0.000	0.000	0.000
699	B	219	ARG	1	0.938	0.977	36.442	-31.657	-31.657	0.000	0.000	0.000	0.000
700	B	220	GLU	-1	-0.918	-0.953	39.599	27.907	27.907	0.000	0.000	0.000	0.000
701	B	221	ARG	1	0.831	0.883	33.914	-33.519	-33.519	0.000	0.000	0.000	0.000
702	B	222	PHE	0	-0.022	-0.006	34.524	-0.617	-0.617	0.000	0.000	0.000	0.000
703	B	223	LEU	0	0.011	0.009	40.547	-0.448	-0.448	0.000	0.000	0.000	0.000
704	B	224	ASN	0	-0.063	-0.037	44.053	-1.074	-1.074	0.000	0.000	0.000	0.000
705	B	225	CYS	0	0.002	0.003	40.372	-0.559	-0.559	0.000	0.000	0.000	0.000
706	B	226	LEU	0	0.052	0.038	42.400	-0.345	-0.345	0.000	0.000	0.000	0.000
707	B	227	GLU	-1	-0.777	-0.837	45.412	22.524	22.524	0.000	0.000	0.000	0.000
708	B	228	GLY	0	-0.040	-0.032	47.320	-0.499	-0.499	0.000	0.000	0.000	0.000
709	B	229	ILE	0	0.035	0.001	42.443	-0.345	-0.345	0.000	0.000	0.000	0.000
710	B	230	ASN	0	-0.002	0.001	47.080	-0.598	-0.598	0.000	0.000	0.000	0.000
711	B	231	ARG	1	0.877	0.946	50.049	-22.723	-22.723	0.000	0.000	0.000	0.000
712	B	232	ALA	0	0.007	0.006	49.250	-0.468	-0.468	0.000	0.000	0.000	0.000
713	B	233	ALA	0	0.031	0.029	49.812	-0.259	-0.259	0.000	0.000	0.000	0.000
714	B	234	ALA	0	-0.019	-0.012	51.629	-0.358	-0.358	0.000	0.000	0.000	0.000
715	B	235	ALA	0	-0.067	-0.038	54.395	-0.449	-0.449	0.000	0.000	0.000	0.000
716	B	236	THR	0	-0.007	-0.020	52.411	-0.156	-0.156	0.000	0.000	0.000	0.000
717	B	237	GLY	0	0.044	0.012	54.888	-0.216	-0.216	0.000	0.000	0.000	0.000
718	B	238	GLU	-1	-0.811	-0.859	50.009	24.046	24.046	0.000	0.000	0.000	0.000
719	B	239	VAL	0	0.036	0.012	45.821	-0.028	-0.028	0.000	0.000	0.000	0.000
720	B	240	LYS	1	0.807	0.915	46.009	-24.563	-24.563	0.000	0.000	0.000	0.000
721	B	241	GLY	0	0.034	0.006	42.301	0.098	0.098	0.000	0.000	0.000	0.000
722	B	242	SER	0	-0.002	-0.016	39.494	-0.283	-0.283	0.000	0.000	0.000	0.000
723	B	243	TYR	0	-0.030	-0.012	34.333	-0.156	-0.156	0.000	0.000	0.000	0.000
724	B	244	LEU	0	-0.008	0.001	35.710	0.172	0.172	0.000	0.000	0.000	0.000
725	B	245	ASN	0	0.003	-0.002	29.110	1.254	1.254	0.000	0.000	0.000	0.000
726	B	246	ILE	0	-0.036	-0.026	29.340	-0.586	-0.586	0.000	0.000	0.000	0.000
727	B	247	THR	0	0.007	-0.011	24.891	1.335	1.335	0.000	0.000	0.000	0.000
728	B	248	ALA	0	-0.021	-0.024	25.870	-1.235	-1.235	0.000	0.000	0.000	0.000
729	B	249	ALA	0	0.034	0.024	23.449	1.465	1.465	0.000	0.000	0.000	0.000
730	B	250	THR	0	0.020	0.013	22.497	1.632	1.632	0.000	0.000	0.000	0.000
731	B	251	MET	0	0.057	0.019	23.726	-0.545	-0.545	0.000	0.000	0.000	0.000
732	B	252	GLU	-1	-0.807	-0.872	25.406	42.978	42.978	0.000	0.000	0.000	0.000
733	B	253	GLU	-1	-0.842	-0.918	27.878	34.286	34.286	0.000	0.000	0.000	0.000
734	B	254	VAL	0	0.026	0.007	25.595	-1.237	-1.237	0.000	0.000	0.000	0.000
735	B	255	TYR	0	-0.015	-0.052	27.041	-1.308	-1.308	0.000	0.000	0.000	0.000
736	B	256	LYS	1	0.863	0.942	31.069	-36.436	-36.436	0.000	0.000	0.000	0.000
737	B	257	ARG	1	0.707	0.839	30.375	-38.240	-38.240	0.000	0.000	0.000	0.000
738	B	258	ALA	0	0.035	0.018	31.961	-0.963	-0.963	0.000	0.000	0.000	0.000
739	B	259	GLU	-1	-0.841	-0.928	33.976	31.817	31.817	0.000	0.000	0.000	0.000
740	B	260	TYR	0	-0.063	-0.029	36.695	-1.244	-1.244	0.000	0.000	0.000	0.000
741	B	261	ALA	0	0.012	-0.005	36.787	-0.896	-0.896	0.000	0.000	0.000	0.000
742	B	262	LYS	1	0.935	0.973	38.186	-30.806	-30.806	0.000	0.000	0.000	0.000
743	B	263	ALA	0	-0.045	-0.011	39.924	-0.825	-0.825	0.000	0.000	0.000	0.000
744	B	264	ILE	0	-0.094	-0.049	41.238	-0.850	-0.850	0.000	0.000	0.000	0.000
745	B	265	GLY	0	-0.007	0.000	43.125	-0.555	-0.555	0.000	0.000	0.000	0.000
746	B	266	SER	0	-0.073	-0.038	38.796	-0.529	-0.529	0.000	0.000	0.000	0.000
747	B	267	VAL	0	0.039	0.023	40.734	0.227	0.227	0.000	0.000	0.000	0.000
748	B	268	VAL	0	-0.032	-0.022	35.841	0.447	0.447	0.000	0.000	0.000	0.000
749	B	269	VAL	0	-0.007	0.004	32.393	-0.383	-0.383	0.000	0.000	0.000	0.000
750	B	270	MET	0	-0.049	-0.008	30.178	-0.215	-0.215	0.000	0.000	0.000	0.000
751	B	271	ILE	0	-0.010	-0.005	25.434	0.126	0.126	0.000	0.000	0.000	0.000
752	B	272	ASP	-1	-0.768	-0.897	24.219	41.464	41.464	0.000	0.000	0.000	0.000
753	B	273	LEU	0	-0.021	-0.020	19.662	0.936	0.936	0.000	0.000	0.000	0.000
754	B	274	VAL	0	-0.039	-0.014	18.961	2.422	2.422	0.000	0.000	0.000	0.000
755	B	275	MET	0	-0.033	0.011	18.808	1.452	1.452	0.000	0.000	0.000	0.000
756	B	276	GLY	0	0.023	0.005	17.692	1.926	1.926	0.000	0.000	0.000	0.000
757	B	277	TYR	0	0.024	-0.001	14.602	-2.110	-2.110	0.000	0.000	0.000	0.000
758	B	278	THR	0	0.027	0.022	17.307	-1.091	-1.091	0.000	0.000	0.000	0.000
759	B	279	ALA	0	0.037	0.012	19.440	-2.303	-2.303	0.000	0.000	0.000	0.000
760	B	280	ILE	0	-0.040	-0.012	20.681	-2.410	-2.410	0.000	0.000	0.000	0.000
761	B	281	GLN	0	0.045	0.009	20.210	0.292	0.292	0.000	0.000	0.000	0.000
762	B	282	SER	0	-0.015	0.000	23.475	-0.761	-0.761	0.000	0.000	0.000	0.000
763	B	283	ILE	0	-0.004	-0.001	25.306	-1.794	-1.794	0.000	0.000	0.000	0.000
764	B	284	ALA	0	0.028	0.016	26.991	-1.668	-1.668	0.000	0.000	0.000	0.000
765	B	285	TYR	0	-0.018	-0.010	24.545	-1.418	-1.418	0.000	0.000	0.000	0.000
766	B	286	TRP	0	-0.020	-0.013	29.540	-1.230	-1.230	0.000	0.000	0.000	0.000
767	B	287	ALA	0	0.002	-0.005	31.471	-1.237	-1.237	0.000	0.000	0.000	0.000
768	B	288	ARG	1	0.817	0.896	32.812	-35.961	-35.961	0.000	0.000	0.000	0.000
769	B	289	GLU	-1	-0.992	-0.989	32.803	33.222	33.222	0.000	0.000	0.000	0.000
770	B	290	ASN	0	-0.071	-0.032	34.638	-1.793	-1.793	0.000	0.000	0.000	0.000
771	B	291	ASP	-1	-0.965	-0.969	37.570	28.805	28.805	0.000	0.000	0.000	0.000
772	B	292	MET	0	-0.076	-0.019	35.509	-0.651	-0.651	0.000	0.000	0.000	0.000
773	B	293	LEU	0	-0.046	-0.015	35.728	0.619	0.619	0.000	0.000	0.000	0.000
774	B	294	LEU	0	0.029	0.010	28.361	0.092	0.092	0.000	0.000	0.000	0.000
775	B	295	HIS	0	0.009	-0.009	31.214	0.034	0.034	0.000	0.000	0.000	0.000
776	B	296	LEU	0	0.009	0.001	24.054	0.587	0.587	0.000	0.000	0.000	0.000
777	B	297	HIS	0	0.113	0.045	26.573	0.666	0.666	0.000	0.000	0.000	0.000
778	B	298	ARG	1	0.784	0.867	23.736	-40.073	-40.073	0.000	0.000	0.000	0.000
779	B	299	ALA	0	0.035	0.013	23.087	1.428	1.428	0.000	0.000	0.000	0.000
780	B	300	GLY	0	0.042	0.019	19.721	1.809	1.809	0.000	0.000	0.000	0.000
781	B	301	ASN	0	0.055	0.030	19.046	4.161	4.161	0.000	0.000	0.000	0.000
782	B	302	SER	0	-0.013	-0.026	19.672	1.465	1.465	0.000	0.000	0.000	0.000
783	B	303	THR	0	-0.044	-0.011	16.851	1.298	1.298	0.000	0.000	0.000	0.000
784	B	304	TYR	0	0.070	0.021	14.912	2.416	2.416	0.000	0.000	0.000	0.000
785	B	305	ALA	0	-0.012	0.005	16.868	0.424	0.424	0.000	0.000	0.000	0.000
786	B	306	ARG	1	0.802	0.915	20.238	-44.465	-44.465	0.000	0.000	0.000	0.000
787	B	307	GLN	0	-0.027	-0.034	19.937	-2.683	-2.683	0.000	0.000	0.000	0.000
788	B	308	LYS	1	0.880	0.954	21.039	-41.207	-41.207	0.000	0.000	0.000	0.000
789	B	309	ASN	0	-0.012	-0.017	18.450	0.097	0.097	0.000	0.000	0.000	0.000
790	B	310	HIS	0	-0.019	-0.024	11.743	-0.366	-0.366	0.000	0.000	0.000	0.000
791	B	311	GLY	0	0.023	0.029	14.822	-2.003	-2.003	0.000	0.000	0.000	0.000
792	B	312	ILE	0	-0.052	-0.032	13.923	1.766	1.766	0.000	0.000	0.000	0.000
793	B	313	ASN	0	0.023	0.016	17.552	-2.942	-2.942	0.000	0.000	0.000	0.000
794	B	314	PHE	0	0.057	0.015	21.237	0.759	0.759	0.000	0.000	0.000	0.000
795	B	315	ARG	1	0.919	0.954	22.975	-46.342	-46.342	0.000	0.000	0.000	0.000
796	B	316	VAL	0	-0.006	0.004	18.308	-0.803	-0.803	0.000	0.000	0.000	0.000
797	B	317	ILE	0	-0.023	0.004	17.977	0.179	0.179	0.000	0.000	0.000	0.000
798	B	318	CYS	0	-0.029	-0.006	21.504	-1.402	-1.402	0.000	0.000	0.000	0.000
799	B	319	LYS	1	0.857	0.922	22.887	-46.984	-46.984	0.000	0.000	0.000	0.000
800	B	320	TRP	0	0.050	0.002	15.030	0.008	0.008	0.000	0.000	0.000	0.000
801	B	321	MET	0	-0.005	0.001	20.585	-0.552	-0.552	0.000	0.000	0.000	0.000
802	B	322	ARG	1	0.798	0.912	24.182	-38.677	-38.677	0.000	0.000	0.000	0.000
803	B	323	MET	0	-0.044	-0.020	21.170	-0.670	-0.670	0.000	0.000	0.000	0.000
804	B	324	SER	0	-0.052	-0.039	22.210	-0.053	-0.053	0.000	0.000	0.000	0.000
805	B	325	GLY	0	0.019	0.017	24.520	-0.695	-0.695	0.000	0.000	0.000	0.000
806	B	326	VAL	0	-0.004	0.002	26.409	-1.240	-1.240	0.000	0.000	0.000	0.000
807	B	327	ASP	-1	-0.701	-0.828	29.104	34.485	34.485	0.000	0.000	0.000	0.000
808	B	328	HIS	1	0.757	0.858	31.719	-34.006	-34.006	0.000	0.000	0.000	0.000
809	B	329	ILE	0	0.024	0.009	25.012	1.223	1.223	0.000	0.000	0.000	0.000
810	B	330	HIS	0	0.025	0.034	28.407	-1.222	-1.222	0.000	0.000	0.000	0.000
811	B	331	ALA	0	0.014	-0.008	28.211	1.516	1.516	0.000	0.000	0.000	0.000
812	B	332	GLY	0	0.034	0.020	30.030	0.181	0.181	0.000	0.000	0.000	0.000
813	B	333	THR	0	0.040	0.024	31.794	-0.860	-0.860	0.000	0.000	0.000	0.000
814	B	334	VAL	0	0.012	0.034	34.171	-0.960	-0.960	0.000	0.000	0.000	0.000
815	B	335	VAL	0	-0.020	-0.017	35.718	0.163	0.163	0.000	0.000	0.000	0.000
816	B	336	GLY	0	0.007	0.012	36.259	-0.675	-0.675	0.000	0.000	0.000	0.000
817	B	337	LYS	1	0.779	0.875	32.880	-33.511	-33.511	0.000	0.000	0.000	0.000
818	B	338	LEU	0	-0.021	-0.002	28.809	0.528	0.528	0.000	0.000	0.000	0.000
819	B	339	GLU	-1	-0.828	-0.938	27.155	38.968	38.968	0.000	0.000	0.000	0.000
820	B	340	GLY	0	0.004	-0.024	29.860	0.484	0.484	0.000	0.000	0.000	0.000
821	B	341	ASP	-1	-0.813	-0.904	30.867	34.701	34.701	0.000	0.000	0.000	0.000
822	B	342	PRO	0	0.002	-0.003	32.677	0.430	0.430	0.000	0.000	0.000	0.000
823	B	343	LEU	0	-0.016	-0.003	33.827	-0.323	-0.323	0.000	0.000	0.000	0.000
824	B	344	MET	0	-0.035	-0.003	28.850	0.982	0.982	0.000	0.000	0.000	0.000
825	B	345	ILE	0	-0.010	0.009	30.587	0.441	0.441	0.000	0.000	0.000	0.000
826	B	346	M3L	1	0.882	0.953	32.154	-30.513	-30.513	0.000	0.000	0.000	0.000
827	B	347	GLY	0	0.069	0.047	31.104	-0.265	-0.265	0.000	0.000	0.000	0.000
828	B	348	PHE	0	-0.034	-0.022	26.582	0.553	0.553	0.000	0.000	0.000	0.000
829	B	349	TYR	0	-0.031	-0.044	29.930	-0.266	-0.266	0.000	0.000	0.000	0.000
830	B	350	ASP	-1	-0.880	-0.940	33.197	33.244	33.244	0.000	0.000	0.000	0.000
831	B	351	ILE	0	-0.047	-0.022	26.654	0.163	0.163	0.000	0.000	0.000	0.000
832	B	352	LEU	0	-0.032	-0.018	28.159	0.260	0.260	0.000	0.000	0.000	0.000
833	B	353	ARG	1	0.830	0.906	31.155	-32.627	-32.627	0.000	0.000	0.000	0.000
834	B	354	LEU	0	0.022	0.036	34.093	-0.973	-0.973	0.000	0.000	0.000	0.000
835	B	355	THR	0	0.032	0.004	34.072	0.796	0.796	0.000	0.000	0.000	0.000
836	B	356	GLU	-1	-0.948	-0.964	33.447	32.904	32.904	0.000	0.000	0.000	0.000
837	B	357	LEU	0	-0.071	-0.032	29.159	-0.220	-0.220	0.000	0.000	0.000	0.000
838	B	358	GLU	-1	-0.832	-0.915	33.088	32.077	32.077	0.000	0.000	0.000	0.000
839	B	359	VAL	0	-0.044	-0.026	30.987	0.576	0.576	0.000	0.000	0.000	0.000
840	B	360	ASN	0	0.026	0.002	32.203	-1.299	-1.299	0.000	0.000	0.000	0.000
841	B	361	LEU	0	0.008	0.006	30.072	0.567	0.567	0.000	0.000	0.000	0.000
842	B	362	PRO	0	-0.036	-0.014	31.650	0.925	0.925	0.000	0.000	0.000	0.000
843	B	363	PHE	0	-0.006	-0.005	32.620	-0.203	-0.203	0.000	0.000	0.000	0.000
844	B	364	GLY	0	-0.024	-0.011	28.615	0.818	0.818	0.000	0.000	0.000	0.000
845	B	365	ILE	0	-0.039	-0.009	27.482	1.767	1.767	0.000	0.000	0.000	0.000
846	B	366	PHE	0	0.024	-0.012	25.855	-1.055	-1.055	0.000	0.000	0.000	0.000
847	B	367	PHE	0	-0.071	-0.033	22.795	0.186	0.186	0.000	0.000	0.000	0.000
848	B	368	GLU	-1	-0.919	-0.943	28.206	35.085	35.085	0.000	0.000	0.000	0.000
849	B	369	MET	0	-0.081	-0.042	25.795	2.322	2.322	0.000	0.000	0.000	0.000
850	B	370	ASP	-1	-0.761	-0.862	30.078	34.428	34.428	0.000	0.000	0.000	0.000
851	B	371	TRP	0	-0.023	-0.017	26.144	2.090	2.090	0.000	0.000	0.000	0.000
852	B	372	ALA	0	-0.005	-0.007	30.711	0.267	0.267	0.000	0.000	0.000	0.000
853	B	373	SER	0	-0.039	-0.020	32.669	-0.602	-0.602	0.000	0.000	0.000	0.000
854	B	374	LEU	0	-0.031	0.008	27.920	-0.527	-0.527	0.000	0.000	0.000	0.000
855	B	375	ARG	1	0.943	0.978	32.416	-32.319	-32.319	0.000	0.000	0.000	0.000
856	B	376	ARG	1	0.870	0.936	32.640	-29.794	-29.794	0.000	0.000	0.000	0.000
857	B	377	CYS	0	-0.026	-0.010	30.412	-0.326	-0.326	0.000	0.000	0.000	0.000
858	B	378	MET	0	0.003	0.005	32.678	-0.377	-0.377	0.000	0.000	0.000	0.000
859	B	379	PRO	0	-0.014	0.007	32.487	0.796	0.796	0.000	0.000	0.000	0.000
860	B	380	VAL	0	0.000	-0.001	32.499	-1.167	-1.167	0.000	0.000	0.000	0.000
861	B	381	ALA	0	0.020	0.014	32.902	1.042	1.042	0.000	0.000	0.000	0.000
862	B	382	SER	0	-0.019	-0.033	33.161	-1.278	-1.278	0.000	0.000	0.000	0.000
863	B	383	GLY	0	0.087	0.041	33.418	0.860	0.860	0.000	0.000	0.000	0.000
864	B	384	GLY	0	-0.025	-0.022	34.838	0.089	0.089	0.000	0.000	0.000	0.000
865	B	385	ILE	0	-0.043	0.002	37.651	-0.356	-0.356	0.000	0.000	0.000	0.000
866	B	386	HIS	0	0.021	-0.012	40.088	-0.584	-0.584	0.000	0.000	0.000	0.000
867	B	387	CYS	0	0.018	0.009	43.798	-0.010	-0.010	0.000	0.000	0.000	0.000
868	B	388	GLY	0	0.032	0.011	46.717	-0.370	-0.370	0.000	0.000	0.000	0.000
869	B	389	GLN	0	0.000	-0.005	40.701	-0.053	-0.053	0.000	0.000	0.000	0.000
870	B	390	MET	0	-0.018	0.011	44.509	0.599	0.599	0.000	0.000	0.000	0.000
871	B	391	HIS	0	0.040	0.011	45.732	0.252	0.252	0.000	0.000	0.000	0.000
872	B	392	GLN	0	0.002	-0.016	42.537	0.242	0.242	0.000	0.000	0.000	0.000
873	B	393	LEU	0	-0.002	0.006	39.523	0.573	0.573	0.000	0.000	0.000	0.000
874	B	394	ILE	0	0.024	0.011	41.592	0.460	0.460	0.000	0.000	0.000	0.000
875	B	395	HIS	0	-0.029	0.002	42.941	0.046	0.046	0.000	0.000	0.000	0.000
876	B	396	TYR	0	-0.043	-0.038	38.416	0.220	0.220	0.000	0.000	0.000	0.000
877	B	397	LEU	0	0.029	0.014	36.195	0.686	0.686	0.000	0.000	0.000	0.000
878	B	398	GLY	0	-0.014	0.010	39.143	0.465	0.465	0.000	0.000	0.000	0.000
879	B	399	ASP	-1	-0.756	-0.872	41.929	26.301	26.301	0.000	0.000	0.000	0.000
880	B	400	ASP	-1	-0.873	-0.923	39.310	28.959	28.959	0.000	0.000	0.000	0.000
881	B	401	VAL	0	0.021	0.000	36.470	0.984	0.984	0.000	0.000	0.000	0.000
882	B	402	VAL	0	0.007	0.016	36.966	-0.858	-0.858	0.000	0.000	0.000	0.000
883	B	403	LEU	0	-0.003	-0.004	37.499	0.783	0.783	0.000	0.000	0.000	0.000
884	B	404	GLN	0	0.012	-0.011	34.377	-0.729	-0.729	0.000	0.000	0.000	0.000
885	B	405	PHE	0	0.016	-0.003	38.573	0.337	0.337	0.000	0.000	0.000	0.000
886	B	406	GLY	0	0.070	0.037	38.849	-0.619	-0.619	0.000	0.000	0.000	0.000
887	B	407	GLY	0	0.021	-0.009	39.405	-0.828	-0.828	0.000	0.000	0.000	0.000
888	B	408	GLY	0	-0.026	-0.011	41.362	-0.702	-0.702	0.000	0.000	0.000	0.000
889	B	409	THR	0	-0.049	-0.030	43.287	-0.816	-0.816	0.000	0.000	0.000	0.000
890	B	410	ILE	0	-0.045	-0.043	41.581	-0.738	-0.738	0.000	0.000	0.000	0.000
891	B	411	GLY	0	0.002	0.009	44.719	-0.375	-0.375	0.000	0.000	0.000	0.000
892	B	412	HIS	0	-0.035	-0.008	46.009	-0.337	-0.337	0.000	0.000	0.000	0.000
893	B	413	PRO	0	0.014	0.006	49.362	-0.104	-0.104	0.000	0.000	0.000	0.000
894	B	414	ASP	-1	-0.832	-0.911	52.265	21.114	21.114	0.000	0.000	0.000	0.000
895	B	415	GLY	0	-0.018	-0.015	51.497	-0.285	-0.285	0.000	0.000	0.000	0.000
896	B	416	ILE	0	0.003	-0.003	46.717	0.073	0.073	0.000	0.000	0.000	0.000
897	B	417	GLN	0	-0.042	-0.033	49.226	-0.040	-0.040	0.000	0.000	0.000	0.000
898	B	418	ALA	0	0.029	0.024	51.608	-0.018	-0.018	0.000	0.000	0.000	0.000
899	B	419	GLY	0	0.045	0.017	48.593	-0.001	-0.001	0.000	0.000	0.000	0.000
900	B	420	ALA	0	-0.028	0.000	47.597	0.255	0.255	0.000	0.000	0.000	0.000
901	B	421	THR	0	-0.012	-0.024	48.582	-0.090	-0.090	0.000	0.000	0.000	0.000
902	B	422	ALA	0	-0.042	-0.011	50.133	-0.129	-0.129	0.000	0.000	0.000	0.000
903	B	423	ASN	0	0.008	0.001	45.418	-0.050	-0.050	0.000	0.000	0.000	0.000
904	B	424	ARG	1	0.819	0.900	48.157	-23.734	-23.734	0.000	0.000	0.000	0.000
905	B	425	VAL	0	0.015	-0.001	49.681	-0.123	-0.123	0.000	0.000	0.000	0.000
906	B	426	ALA	0	-0.013	-0.003	49.164	-0.159	-0.159	0.000	0.000	0.000	0.000
907	B	427	LEU	0	0.015	-0.005	45.637	-0.010	-0.010	0.000	0.000	0.000	0.000
908	B	428	GLU	-1	-0.765	-0.892	48.821	23.021	23.021	0.000	0.000	0.000	0.000
909	B	429	ALA	0	0.004	0.002	51.817	-0.261	-0.261	0.000	0.000	0.000	0.000
910	B	430	MET	0	-0.054	-0.005	48.543	-0.229	-0.229	0.000	0.000	0.000	0.000
911	B	431	VAL	0	-0.012	-0.004	48.279	-0.024	-0.024	0.000	0.000	0.000	0.000
912	B	432	LEU	0	-0.008	0.004	50.912	-0.176	-0.176	0.000	0.000	0.000	0.000
913	B	433	ALA	0	0.045	0.014	54.166	-0.238	-0.238	0.000	0.000	0.000	0.000
914	B	434	ARG	1	0.765	0.850	46.485	-25.535	-25.535	0.000	0.000	0.000	0.000
915	B	435	ASN	0	-0.007	-0.012	51.803	0.307	0.307	0.000	0.000	0.000	0.000
916	B	436	GLU	-1	-0.963	-0.984	54.133	20.534	20.534	0.000	0.000	0.000	0.000
917	B	437	GLY	0	-0.024	-0.001	55.381	-0.359	-0.359	0.000	0.000	0.000	0.000
918	B	438	ALA	0	-0.047	-0.013	54.692	-0.060	-0.060	0.000	0.000	0.000	0.000
919	B	439	ASP	-1	-0.885	-0.948	52.253	23.967	23.967	0.000	0.000	0.000	0.000
920	B	440	TYR	0	-0.013	-0.028	46.807	0.263	0.263	0.000	0.000	0.000	0.000
921	B	441	PHE	0	0.013	0.000	43.539	0.188	0.188	0.000	0.000	0.000	0.000
922	B	442	ASN	0	0.056	0.043	48.583	0.088	0.088	0.000	0.000	0.000	0.000
923	B	443	ASN	0	0.026	-0.001	49.630	0.141	0.141	0.000	0.000	0.000	0.000
924	B	444	GLN	0	-0.068	-0.046	51.173	0.167	0.167	0.000	0.000	0.000	0.000
925	B	445	VAL	0	-0.024	0.000	53.571	-0.468	-0.468	0.000	0.000	0.000	0.000
926	B	446	GLY	0	0.083	0.037	50.967	-0.210	-0.210	0.000	0.000	0.000	0.000
927	B	447	PRO	0	-0.014	-0.017	50.603	-0.215	-0.215	0.000	0.000	0.000	0.000
928	B	448	GLN	0	-0.056	-0.025	52.789	-0.149	-0.149	0.000	0.000	0.000	0.000
929	B	449	ILE	0	0.057	0.035	53.492	-0.284	-0.284	0.000	0.000	0.000	0.000
930	B	450	LEU	0	-0.009	0.005	49.494	-0.198	-0.198	0.000	0.000	0.000	0.000
931	B	451	ARG	1	0.920	0.946	54.102	-22.133	-22.133	0.000	0.000	0.000	0.000
932	B	452	ASP	-1	-0.905	-0.949	56.978	20.122	20.122	0.000	0.000	0.000	0.000
933	B	453	ALA	0	-0.006	-0.004	55.669	-0.304	-0.304	0.000	0.000	0.000	0.000
934	B	454	ALA	0	-0.029	-0.014	55.946	-0.137	-0.137	0.000	0.000	0.000	0.000
935	B	455	LYS	1	0.937	0.974	57.732	-19.601	-19.601	0.000	0.000	0.000	0.000
936	B	456	THR	0	-0.033	-0.012	60.674	-0.367	-0.367	0.000	0.000	0.000	0.000
937	B	457	CYS	0	-0.040	0.000	55.358	0.055	0.055	0.000	0.000	0.000	0.000
938	B	458	GLY	0	0.048	0.030	57.518	0.208	0.208	0.000	0.000	0.000	0.000
939	B	459	PRO	0	0.016	0.003	53.973	0.152	0.152	0.000	0.000	0.000	0.000
940	B	460	LEU	0	0.066	0.024	51.722	0.409	0.409	0.000	0.000	0.000	0.000
941	B	461	GLN	0	-0.076	-0.029	53.706	0.021	0.021	0.000	0.000	0.000	0.000
942	B	462	THR	0	-0.003	-0.008	53.620	0.047	0.047	0.000	0.000	0.000	0.000
943	B	463	ALA	0	0.003	0.003	49.609	0.252	0.252	0.000	0.000	0.000	0.000
944	B	464	LEU	0	-0.031	-0.022	50.351	0.407	0.407	0.000	0.000	0.000	0.000
945	B	465	ASP	-1	-0.901	-0.954	51.880	21.653	21.653	0.000	0.000	0.000	0.000
946	B	466	LEU	0	-0.067	-0.017	48.656	0.042	0.042	0.000	0.000	0.000	0.000
947	B	467	TRP	0	0.004	-0.021	45.427	0.229	0.229	0.000	0.000	0.000	0.000
948	B	468	LYS	1	0.911	0.969	47.145	-22.002	-22.002	0.000	0.000	0.000	0.000
949	B	469	ASP	-1	-0.934	-0.964	48.422	23.814	23.814	0.000	0.000	0.000	0.000
950	B	470	ILE	0	-0.055	-0.012	42.387	0.397	0.397	0.000	0.000	0.000	0.000
951	B	471	SER	0	-0.033	-0.023	41.884	0.095	0.095	0.000	0.000	0.000	0.000
952	B	472	PHE	0	0.010	0.007	36.589	0.200	0.200	0.000	0.000	0.000	0.000
953	B	473	ASN	0	-0.030	-0.015	37.476	0.933	0.933	0.000	0.000	0.000	0.000
954	B	474	TYR	0	0.038	0.005	34.038	-0.205	-0.205	0.000	0.000	0.000	0.000
955	B	475	THR	0	-0.013	-0.006	32.455	-0.378	-0.378	0.000	0.000	0.000	0.000
956	B	476	SER	0	-0.002	0.008	30.570	0.382	0.382	0.000	0.000	0.000	0.000
957	B	477	THR	0	-0.021	-0.010	25.695	-0.496	-0.496	0.000	0.000	0.000	0.000
958	B	478	ASP	-1	-0.899	-0.941	25.425	46.805	46.805	0.000	0.000	0.000	0.000
959	B	479	THR	0	0.016	-0.002	26.852	-1.277	-1.277	0.000	0.000	0.000	0.000
960	B	480	ALA	0	0.055	0.022	28.522	1.286	1.286	0.000	0.000	0.000	0.000
961	B	481	ASP	-1	-0.801	-0.900	27.585	44.205	44.205	0.000	0.000	0.000	0.000
962	B	482	PHE	0	-0.010	-0.012	29.108	-0.553	-0.553	0.000	0.000	0.000	0.000
963	B	483	ALA	0	0.025	0.017	33.817	-0.208	-0.208	0.000	0.000	0.000	0.000
964	I	1	MET	0	-0.045	0.007	26.201	-0.211	-0.211	0.000	0.000	0.000	0.000
965	I	2	ARG	1	0.774	0.857	25.186	-44.551	-44.551	0.000	0.000	0.000	0.000
966	I	3	LEU	0	0.022	0.021	25.787	1.565	1.565	0.000	0.000	0.000	0.000
967	I	4	THR	0	-0.058	-0.067	21.354	-0.900	-0.900	0.000	0.000	0.000	0.000
968	I	5	GLN	0	0.039	0.020	22.343	1.805	1.805	0.000	0.000	0.000	0.000
969	I	6	GLY	0	0.002	0.035	24.429	-1.192	-1.192	0.000	0.000	0.000	0.000
970	I	7	CYS	0	-0.026	-0.004	21.475	0.876	0.876	0.000	0.000	0.000	0.000
971	I	8	PHE	0	0.029	0.007	21.425	1.222	1.222	0.000	0.000	0.000	0.000
972	I	9	SER	0	-0.046	-0.045	22.935	-2.084	-2.084	0.000	0.000	0.000	0.000
973	I	10	PHE	0	-0.035	-0.015	17.903	-0.642	-0.642	0.000	0.000	0.000	0.000
974	I	11	LEU	0	-0.045	0.000	21.342	0.196	0.196	0.000	0.000	0.000	0.000
975	I	12	PRO	0	-0.032	-0.033	24.129	-0.975	-0.975	0.000	0.000	0.000	0.000
976	I	13	ASP	-1	-0.831	-0.913	27.775	39.171	39.171	0.000	0.000	0.000	0.000
977	I	14	LEU	0	-0.002	0.012	27.371	-0.502	-0.502	0.000	0.000	0.000	0.000
978	I	15	THR	0	-0.020	-0.021	31.058	-1.418	-1.418	0.000	0.000	0.000	0.000
979	I	16	ASP	-1	-0.765	-0.890	34.111	32.720	32.720	0.000	0.000	0.000	0.000
980	I	17	GLN	0	-0.037	-0.022	35.157	0.019	0.019	0.000	0.000	0.000	0.000
981	I	18	GLN	0	0.024	0.010	29.141	-0.389	-0.389	0.000	0.000	0.000	0.000
982	I	19	ILE	0	0.026	0.011	31.717	0.891	0.891	0.000	0.000	0.000	0.000
983	I	20	GLU	-1	-0.907	-0.959	33.026	34.320	34.320	0.000	0.000	0.000	0.000
984	I	21	LYS	1	1.000	1.004	31.866	-36.322	-36.322	0.000	0.000	0.000	0.000
985	I	22	GLN	0	-0.010	0.006	27.174	1.699	1.699	0.000	0.000	0.000	0.000
986	I	23	VAL	0	-0.003	-0.006	30.647	0.481	0.481	0.000	0.000	0.000	0.000
987	I	24	ALA	0	0.026	0.014	33.654	-0.056	-0.056	0.000	0.000	0.000	0.000
988	I	25	CYS	0	-0.049	-0.001	28.318	0.534	0.534	0.000	0.000	0.000	0.000
989	I	26	ALA	0	0.030	0.012	29.635	0.301	0.301	0.000	0.000	0.000	0.000
990	I	27	MET	0	0.011	0.001	30.596	-0.227	-0.227	0.000	0.000	0.000	0.000
991	I	28	SER	0	-0.108	-0.049	31.557	-0.437	-0.437	0.000	0.000	0.000	0.000
992	I	29	ARG	1	0.909	0.950	24.848	-46.098	-46.098	0.000	0.000	0.000	0.000
993	I	30	GLY	0	-0.018	0.000	30.711	0.296	0.296	0.000	0.000	0.000	0.000
994	I	31	LEU	0	-0.059	-0.013	27.677	0.091	0.091	0.000	0.000	0.000	0.000
995	I	32	ALA	0	0.006	0.012	32.038	-1.042	-1.042	0.000	0.000	0.000	0.000
996	I	33	MET	0	-0.004	0.002	31.821	1.253	1.253	0.000	0.000	0.000	0.000
997	I	34	ASN	0	-0.034	-0.033	34.297	-0.333	-0.333	0.000	0.000	0.000	0.000
998	I	35	VAL	0	0.033	0.024	35.063	0.994	0.994	0.000	0.000	0.000	0.000
999	I	36	GLU	-1	-0.753	-0.872	33.843	36.541	36.541	0.000	0.000	0.000	0.000
1000	I	37	TRP	0	0.010	-0.008	35.782	0.720	0.720	0.000	0.000	0.000	0.000
1001	I	38	THR	0	0.046	0.031	33.617	-0.003	-0.003	0.000	0.000	0.000	0.000
1002	I	39	ASP	-1	-0.759	-0.880	36.553	30.943	30.943	0.000	0.000	0.000	0.000
1003	I	40	ASP	-1	-0.832	-0.936	34.339	35.493	35.493	0.000	0.000	0.000	0.000
1004	I	41	PRO	0	-0.037	-0.008	30.708	0.848	0.848	0.000	0.000	0.000	0.000
1005	I	42	HIS	0	0.013	0.015	28.640	2.185	2.185	0.000	0.000	0.000	0.000
1006	I	43	PRO	0	-0.004	-0.011	25.238	0.035	0.035	0.000	0.000	0.000	0.000
1007	I	44	ARG	1	0.891	0.932	25.317	-43.999	-43.999	0.000	0.000	0.000	0.000
1008	I	45	ASN	0	-0.025	0.000	28.566	-0.998	-0.998	0.000	0.000	0.000	0.000
1009	I	46	ASN	0	-0.005	-0.012	29.454	0.786	0.786	0.000	0.000	0.000	0.000
1010	I	47	TYR	0	-0.041	-0.024	31.228	0.435	0.435	0.000	0.000	0.000	0.000
1011	I	48	TRP	0	-0.025	-0.006	30.372	-0.640	-0.640	0.000	0.000	0.000	0.000
1012	I	49	GLU	-1	-0.892	-0.945	35.642	31.293	31.293	0.000	0.000	0.000	0.000
1013	I	50	LEU	0	-0.036	-0.024	37.429	0.380	0.380	0.000	0.000	0.000	0.000
1014	I	51	TRP	0	-0.023	0.002	39.784	-0.850	-0.850	0.000	0.000	0.000	0.000
1015	I	52	GLY	0	-0.010	-0.006	41.653	0.051	0.051	0.000	0.000	0.000	0.000
1016	I	53	LEU	0	-0.026	-0.020	41.369	0.474	0.474	0.000	0.000	0.000	0.000
1017	I	54	PRO	0	0.022	-0.005	36.644	0.019	0.019	0.000	0.000	0.000	0.000
1018	I	55	LEU	0	0.006	0.005	38.380	-0.809	-0.809	0.000	0.000	0.000	0.000
1019	I	56	PHE	0	-0.010	-0.013	35.946	0.392	0.392	0.000	0.000	0.000	0.000
1020	I	57	ASP	-1	-0.899	-0.944	39.119	29.352	29.352	0.000	0.000	0.000	0.000
1021	I	58	ILE	0	-0.081	-0.041	40.477	-0.609	-0.609	0.000	0.000	0.000	0.000
1022	I	59	LYS	1	0.928	0.957	39.537	-29.763	-29.763	0.000	0.000	0.000	0.000
1023	I	60	ASP	-1	-0.872	-0.929	40.152	29.741	29.741	0.000	0.000	0.000	0.000
1024	I	61	PRO	0	0.079	0.022	37.606	-0.090	-0.090	0.000	0.000	0.000	0.000
1025	I	62	ALA	0	-0.001	0.000	39.540	0.181	0.181	0.000	0.000	0.000	0.000
1026	I	63	THR	0	-0.031	-0.023	42.474	-0.605	-0.605	0.000	0.000	0.000	0.000
1027	I	64	VAL	0	0.038	0.019	36.916	-0.198	-0.198	0.000	0.000	0.000	0.000
1028	I	65	MET	0	-0.031	-0.003	36.862	0.384	0.384	0.000	0.000	0.000	0.000
1029	I	66	PHE	0	-0.053	-0.019	40.323	-0.312	-0.312	0.000	0.000	0.000	0.000
1030	I	67	GLU	-1	-0.834	-0.929	41.789	27.833	27.833	0.000	0.000	0.000	0.000
1031	I	68	LEU	0	-0.019	0.003	36.383	0.006	0.006	0.000	0.000	0.000	0.000
1032	I	69	ASN	0	-0.039	-0.038	40.093	0.203	0.203	0.000	0.000	0.000	0.000
1033	I	70	GLU	-1	-0.875	-0.935	42.568	25.769	25.769	0.000	0.000	0.000	0.000
1034	I	71	ALA	0	0.029	0.025	40.651	-0.377	-0.377	0.000	0.000	0.000	0.000
1035	I	72	ARG	1	0.760	0.843	35.862	-32.863	-32.863	0.000	0.000	0.000	0.000
1036	I	73	LYS	1	0.810	0.921	41.978	-26.485	-26.485	0.000	0.000	0.000	0.000
1037	I	74	SER	0	-0.047	-0.025	45.101	-0.766	-0.766	0.000	0.000	0.000	0.000
1038	I	75	CYS	0	-0.061	-0.014	41.763	-0.220	-0.220	0.000	0.000	0.000	0.000
1039	I	76	ALA	0	0.023	0.022	43.146	-0.203	-0.203	0.000	0.000	0.000	0.000
1040	I	77	ALA	0	-0.017	-0.012	40.620	0.670	0.670	0.000	0.000	0.000	0.000
1041	I	78	GLY	0	0.013	-0.008	37.261	-0.108	-0.108	0.000	0.000	0.000	0.000
1042	I	79	TYR	0	-0.089	-0.084	30.829	0.902	0.902	0.000	0.000	0.000	0.000
1043	I	80	ILE	0	0.010	0.012	34.327	-0.688	-0.688	0.000	0.000	0.000	0.000
1044	I	81	ARG	1	0.821	0.929	29.720	-38.898	-38.898	0.000	0.000	0.000	0.000
1045	I	82	MET	0	0.002	0.010	31.321	-1.456	-1.456	0.000	0.000	0.000	0.000
1046	I	83	ASN	0	-0.032	-0.007	30.278	2.877	2.877	0.000	0.000	0.000	0.000
1047	I	84	ALA	0	0.021	0.005	28.691	-1.376	-1.376	0.000	0.000	0.000	0.000
1048	I	85	PHE	0	-0.002	-0.008	28.686	1.603	1.603	0.000	0.000	0.000	0.000
1049	I	86	ASP	-1	-0.807	-0.914	26.561	42.427	42.427	0.000	0.000	0.000	0.000
1050	I	87	ALA	0	-0.011	-0.015	28.931	0.542	0.542	0.000	0.000	0.000	0.000
1051	I	88	SER	0	-0.026	-0.007	27.900	-1.229	-1.229	0.000	0.000	0.000	0.000
1052	I	89	TYR	0	0.029	-0.020	27.459	1.272	1.272	0.000	0.000	0.000	0.000
1053	I	90	GLY	0	-0.004	0.001	24.818	0.848	0.848	0.000	0.000	0.000	0.000
1054	I	91	THR	0	-0.105	-0.068	23.479	3.294	3.294	0.000	0.000	0.000	0.000
1055	I	92	GLU	-1	-0.973	-0.978	25.240	39.154	39.154	0.000	0.000	0.000	0.000
1056	I	93	SER	0	-0.006	-0.018	25.294	0.339	0.339	0.000	0.000	0.000	0.000
1057	I	94	CYS	0	-0.058	-0.007	26.693	-0.553	-0.553	0.000	0.000	0.000	0.000
1058	I	95	VAL	0	0.002	-0.004	23.789	1.998	1.998	0.000	0.000	0.000	0.000
1059	I	96	MET	0	-0.039	-0.036	23.982	1.945	1.945	0.000	0.000	0.000	0.000
1060	I	97	SER	0	0.002	-0.005	25.676	-1.829	-1.829	0.000	0.000	0.000	0.000
1061	I	98	PHE	0	0.010	-0.005	25.716	1.906	1.906	0.000	0.000	0.000	0.000
1062	I	99	ILE	0	0.012	0.008	27.520	-1.458	-1.458	0.000	0.000	0.000	0.000
1063	I	100	THR	0	-0.005	-0.011	29.693	0.391	0.391	0.000	0.000	0.000	0.000
1064	I	101	ASN	0	-0.006	0.014	32.800	-0.646	-0.646	0.000	0.000	0.000	0.000
1065	I	102	ARG	1	0.905	0.951	27.079	-40.820	-40.820	0.000	0.000	0.000	0.000
1066	I	103	PRO	0	0.012	0.021	33.655	-0.895	-0.895	0.000	0.000	0.000	0.000
1067	I	104	ALA	0	-0.013	0.000	34.714	0.682	0.682	0.000	0.000	0.000	0.000
1068	I	105	ASN	0	-0.034	-0.030	35.166	0.970	0.970	0.000	0.000	0.000	0.000
1069	I	106	GLU	-1	-0.719	-0.764	30.917	35.644	35.644	0.000	0.000	0.000	0.000
1070	I	107	PRO	0	-0.022	-0.011	32.543	0.692	0.692	0.000	0.000	0.000	0.000
1071	I	108	GLY	0	0.021	0.007	30.426	0.801	0.801	0.000	0.000	0.000	0.000
1072	I	109	PHE	0	-0.031	-0.028	28.228	-1.035	-1.035	0.000	0.000	0.000	0.000
1073	I	110	TYR	0	-0.101	-0.046	30.186	0.548	0.548	0.000	0.000	0.000	0.000
1074	I	111	LEU	0	-0.046	-0.023	25.194	0.228	0.228	0.000	0.000	0.000	0.000
1075	I	112	ASP	-1	-0.967	-0.985	29.281	33.997	33.997	0.000	0.000	0.000	0.000
1076	I	113	ARG	1	0.831	0.888	26.281	-40.401	-40.401	0.000	0.000	0.000	0.000
1077	I	114	THR	0	0.030	0.024	31.195	-1.459	-1.459	0.000	0.000	0.000	0.000
1078	I	115	GLU	-1	-0.964	-0.985	31.562	36.599	36.599	0.000	0.000	0.000	0.000
1079	I	116	GLY	0	0.023	0.016	31.139	-0.793	-0.793	0.000	0.000	0.000	0.000
1080	I	117	VAL	0	0.016	0.008	30.538	-0.737	-0.737	0.000	0.000	0.000	0.000
1081	I	118	GLY	0	0.014	0.003	30.398	1.217	1.217	0.000	0.000	0.000	0.000
1082	I	119	ARG	1	0.901	0.930	27.084	-38.212	-38.212	0.000	0.000	0.000	0.000
1083	I	120	GLN	0	0.002	0.020	26.200	0.795	0.795	0.000	0.000	0.000	0.000
1084	I	121	ILE	0	-0.006	0.005	26.542	-1.458	-1.458	0.000	0.000	0.000	0.000
1085	I	122	VAL	0	-0.013	-0.005	27.161	1.245	1.245	0.000	0.000	0.000	0.000
1086	I	123	TYR	0	0.013	-0.032	24.252	-0.688	-0.688	0.000	0.000	0.000	0.000
1087	I	124	SER	0	-0.004	0.004	28.345	-0.580	-0.580	0.000	0.000	0.000	0.000
1088	I	125	ILE	0	0.025	0.018	24.928	-0.314	-0.314	0.000	0.000	0.000	0.000
1089	I	126	LYS	1	0.930	0.969	29.427	-35.284	-35.284	0.000	0.000	0.000	0.000
1090	I	127	SER	0	0.064	0.039	32.544	0.331	0.331	0.000	0.000	0.000	0.000
1091	I	128	TYR	0	-0.002	-0.019	32.697	-1.445	-1.445	0.000	0.000	0.000	0.000
1092	I	129	SER	0	0.015	0.000	35.888	-0.926	-0.926	0.000	0.000	0.000	0.000
1093	I	130	VAL	0	0.011	0.001	36.179	-0.957	-0.957	0.000	0.000	0.000	0.000
1094	I	131	GLN	0	-0.034	-0.002	38.157	-0.544	-0.544	0.000	0.000	0.000	0.000
1095	I	132	ALA	0	-0.057	-0.016	39.893	-0.734	-0.734	0.000	0.000	0.000	0.000
1096	I	133	ASN	0	-0.017	-0.005	42.089	-1.384	-1.384	0.000	0.000	0.000	0.000
1097	I	134	PRO	0	0.009	0.007	42.547	0.711	0.711	0.000	0.000	0.000	0.000
1098	I	135	GLU	-1	-0.899	-0.956	41.748	29.494	29.494	0.000	0.000	0.000	0.000
1099	I	136	GLY	0	-0.003	-0.002	42.664	-0.762	-0.762	0.000	0.000	0.000	0.000
1100	I	137	SER	0	-0.106	-0.057	44.160	-0.686	-0.686	0.000	0.000	0.000	0.000
1101	I	138	ARG	1	0.824	0.920	39.011	-30.963	-30.963	0.000	0.000	0.000	0.000
1102	I	139	TYR	0	-0.076	-0.066	34.233	0.253	0.253	0.000	0.000	0.000	0.000
1103	P	1	MET	0	-0.047	0.004	58.062	-0.056	-0.056	0.000	0.000	0.000	0.000
1104	P	2	ARG	1	0.773	0.855	59.083	-20.510	-20.510	0.000	0.000	0.000	0.000
1105	P	3	LEU	0	0.026	0.022	57.308	0.309	0.309	0.000	0.000	0.000	0.000
1106	P	4	THR	0	-0.052	-0.053	53.441	-0.244	-0.244	0.000	0.000	0.000	0.000
1107	P	5	GLN	0	0.036	0.020	53.190	0.478	0.478	0.000	0.000	0.000	0.000
1108	P	6	GLY	0	0.009	0.035	53.197	-0.436	-0.436	0.000	0.000	0.000	0.000
1109	P	7	CYS	0	-0.026	-0.005	50.829	0.072	0.072	0.000	0.000	0.000	0.000
1110	P	8	PHE	0	0.029	0.008	52.308	0.099	0.099	0.000	0.000	0.000	0.000
1111	P	9	SER	0	-0.042	-0.041	54.833	-0.566	-0.566	0.000	0.000	0.000	0.000
1112	P	10	PHE	0	-0.030	-0.010	53.031	-0.291	-0.291	0.000	0.000	0.000	0.000
1113	P	11	LEU	0	-0.041	0.002	55.253	-0.166	-0.166	0.000	0.000	0.000	0.000
1114	P	12	PRO	0	-0.035	-0.035	58.218	-0.149	-0.149	0.000	0.000	0.000	0.000
1115	P	13	ASP	-1	-0.829	-0.913	61.414	19.539	19.539	0.000	0.000	0.000	0.000
1116	P	14	LEU	0	-0.007	0.010	58.700	-0.166	-0.166	0.000	0.000	0.000	0.000
1117	P	15	THR	0	-0.017	-0.017	63.104	-0.300	-0.300	0.000	0.000	0.000	0.000
1118	P	16	ASP	-1	-0.763	-0.890	65.007	18.468	18.468	0.000	0.000	0.000	0.000
1119	P	17	GLN	0	-0.042	-0.020	65.558	0.127	0.127	0.000	0.000	0.000	0.000
1120	P	18	GLN	0	0.019	0.008	61.592	0.006	0.006	0.000	0.000	0.000	0.000
1121	P	19	ILE	0	0.022	0.007	61.258	0.354	0.354	0.000	0.000	0.000	0.000
1122	P	20	GLU	-1	-0.907	-0.960	61.290	19.805	19.805	0.000	0.000	0.000	0.000
1123	P	21	LYS	1	1.017	1.007	60.148	-19.570	-19.570	0.000	0.000	0.000	0.000
1124	P	22	GLN	0	-0.011	0.006	55.610	0.722	0.722	0.000	0.000	0.000	0.000
1125	P	23	VAL	0	0.001	-0.005	57.084	0.355	0.355	0.000	0.000	0.000	0.000
1126	P	24	ALA	0	0.020	0.012	58.540	0.225	0.225	0.000	0.000	0.000	0.000
1127	P	25	CYS	0	-0.052	-0.001	53.860	0.409	0.409	0.000	0.000	0.000	0.000
1128	P	26	ALA	0	0.031	0.007	53.764	0.380	0.380	0.000	0.000	0.000	0.000
1129	P	27	MET	0	0.007	0.001	54.471	0.156	0.156	0.000	0.000	0.000	0.000
1130	P	28	SER	0	-0.105	-0.045	55.234	0.142	0.142	0.000	0.000	0.000	0.000
1131	P	29	ARG	1	0.912	0.951	46.609	-25.154	-25.154	0.000	0.000	0.000	0.000
1132	P	30	GLY	0	-0.016	0.001	51.531	0.403	0.403	0.000	0.000	0.000	0.000
1133	P	31	LEU	0	-0.063	-0.012	49.817	0.144	0.144	0.000	0.000	0.000	0.000
1134	P	32	ALA	0	0.007	0.014	53.623	-0.478	-0.478	0.000	0.000	0.000	0.000
1135	P	33	MET	0	-0.004	0.002	55.578	0.352	0.352	0.000	0.000	0.000	0.000
1136	P	34	ASN	0	-0.033	-0.030	57.301	-0.005	-0.005	0.000	0.000	0.000	0.000
1137	P	35	VAL	0	0.035	0.024	59.319	0.154	0.154	0.000	0.000	0.000	0.000
1138	P	36	GLU	-1	-0.755	-0.878	57.381	21.723	21.723	0.000	0.000	0.000	0.000
1139	P	37	TRP	0	0.005	-0.008	61.491	0.034	0.034	0.000	0.000	0.000	0.000
1140	P	38	THR	0	0.054	0.034	60.367	0.153	0.153	0.000	0.000	0.000	0.000
1141	P	39	ASP	-1	-0.758	-0.878	63.357	18.445	18.445	0.000	0.000	0.000	0.000
1142	P	40	ASP	-1	-0.832	-0.935	60.239	20.467	20.467	0.000	0.000	0.000	0.000
1143	P	41	PRO	0	-0.036	-0.009	59.678	0.352	0.352	0.000	0.000	0.000	0.000
1144	P	42	HIS	0	0.015	0.016	53.649	0.511	0.511	0.000	0.000	0.000	0.000
1145	P	43	PRO	0	-0.002	-0.005	51.767	0.112	0.112	0.000	0.000	0.000	0.000
1146	P	44	ARG	1	0.890	0.930	47.835	-24.534	-24.534	0.000	0.000	0.000	0.000
1147	P	45	ASN	0	-0.036	-0.008	52.883	0.236	0.236	0.000	0.000	0.000	0.000
1148	P	46	ASN	0	-0.002	-0.011	50.000	-0.098	-0.098	0.000	0.000	0.000	0.000
1149	P	47	TYR	0	-0.036	-0.019	51.573	0.179	0.179	0.000	0.000	0.000	0.000
1150	P	48	TRP	0	-0.029	-0.007	56.724	-0.425	-0.425	0.000	0.000	0.000	0.000
1151	P	49	GLU	-1	-0.894	-0.947	59.526	19.978	19.978	0.000	0.000	0.000	0.000
1152	P	50	LEU	0	-0.038	-0.024	58.572	0.018	0.018	0.000	0.000	0.000	0.000
1153	P	51	TRP	0	-0.025	0.000	62.334	-0.371	-0.371	0.000	0.000	0.000	0.000
1154	P	52	GLY	0	-0.010	-0.007	64.344	0.054	0.054	0.000	0.000	0.000	0.000
1155	P	53	LEU	0	-0.028	-0.021	61.385	0.274	0.274	0.000	0.000	0.000	0.000
1156	P	54	PRO	0	0.028	-0.003	57.474	-0.156	-0.156	0.000	0.000	0.000	0.000
1157	P	55	LEU	0	0.001	0.002	59.996	-0.168	-0.168	0.000	0.000	0.000	0.000
1158	P	56	PHE	0	-0.005	-0.010	55.065	0.117	0.117	0.000	0.000	0.000	0.000
1159	P	57	ASP	-1	-0.902	-0.933	58.922	20.748	20.748	0.000	0.000	0.000	0.000
1160	P	58	ILE	0	-0.024	-0.009	61.519	-0.369	-0.369	0.000	0.000	0.000	0.000
1161	P	59	LYS	1	0.871	0.914	61.261	-19.834	-19.834	0.000	0.000	0.000	0.000
1162	P	60	ASP	-1	-0.878	-0.931	62.735	18.750	18.750	0.000	0.000	0.000	0.000
1163	P	61	PRO	0	0.086	0.025	61.965	-0.052	-0.052	0.000	0.000	0.000	0.000
1164	P	62	ALA	0	0.001	-0.001	64.089	-0.067	-0.067	0.000	0.000	0.000	0.000
1165	P	63	THR	0	-0.035	-0.026	66.335	-0.277	-0.277	0.000	0.000	0.000	0.000
1166	P	64	VAL	0	0.039	0.021	61.710	-0.085	-0.085	0.000	0.000	0.000	0.000
1167	P	65	MET	0	-0.028	0.000	64.912	0.040	0.040	0.000	0.000	0.000	0.000
1168	P	66	PHE	0	-0.046	-0.016	66.948	-0.245	-0.245	0.000	0.000	0.000	0.000
1169	P	67	GLU	-1	-0.827	-0.925	66.307	18.005	18.005	0.000	0.000	0.000	0.000
1170	P	68	LEU	0	-0.021	0.002	64.352	-0.050	-0.050	0.000	0.000	0.000	0.000
1171	P	69	ASN	0	-0.055	-0.045	66.901	-0.156	-0.156	0.000	0.000	0.000	0.000
1172	P	70	GLU	-1	-0.869	-0.930	70.467	16.596	16.596	0.000	0.000	0.000	0.000
1173	P	71	ALA	0	0.024	0.023	67.393	-0.157	-0.157	0.000	0.000	0.000	0.000
1174	P	72	ARG	1	0.759	0.839	66.110	-18.603	-18.603	0.000	0.000	0.000	0.000
1175	P	73	LYS	1	0.811	0.921	70.547	-16.779	-16.779	0.000	0.000	0.000	0.000
1176	P	74	SER	0	-0.047	-0.026	71.970	-0.304	-0.304	0.000	0.000	0.000	0.000
1177	P	75	CYS	0	-0.062	-0.014	68.675	0.004	0.004	0.000	0.000	0.000	0.000
1178	P	76	ALA	0	0.019	0.021	70.819	-0.183	-0.183	0.000	0.000	0.000	0.000
1179	P	77	ALA	0	-0.015	-0.012	69.941	0.211	0.211	0.000	0.000	0.000	0.000
1180	P	78	GLY	0	0.013	-0.009	66.788	0.046	0.046	0.000	0.000	0.000	0.000
1181	P	79	TYR	0	-0.086	-0.082	61.768	0.031	0.031	0.000	0.000	0.000	0.000
1182	P	80	ILE	0	0.011	0.012	63.128	-0.075	-0.075	0.000	0.000	0.000	0.000
1183	P	81	ARG	1	0.819	0.929	55.044	-22.001	-22.001	0.000	0.000	0.000	0.000
1184	P	82	MET	0	0.004	0.012	58.267	-0.217	-0.217	0.000	0.000	0.000	0.000
1185	P	83	ASN	0	-0.026	0.000	54.352	0.483	0.483	0.000	0.000	0.000	0.000
1186	P	84	ALA	0	0.025	0.006	52.924	-0.368	-0.368	0.000	0.000	0.000	0.000
1187	P	85	PHE	0	-0.003	-0.006	49.635	0.475	0.475	0.000	0.000	0.000	0.000
1188	P	86	ASP	-1	-0.794	-0.870	46.592	25.875	25.875	0.000	0.000	0.000	0.000
1189	P	87	ALA	0	-0.007	-0.013	47.933	0.370	0.370	0.000	0.000	0.000	0.000
1190	P	88	SER	0	-0.059	-0.055	45.415	0.324	0.324	0.000	0.000	0.000	0.000
1191	P	89	TYR	0	0.047	-0.026	37.363	0.543	0.543	0.000	0.000	0.000	0.000
1192	P	90	GLY	0	-0.017	-0.005	39.723	0.281	0.281	0.000	0.000	0.000	0.000
1193	P	91	THR	0	-0.093	-0.059	40.582	0.747	0.747	0.000	0.000	0.000	0.000
1194	P	92	GLU	-1	-0.975	-0.977	43.354	27.519	27.519	0.000	0.000	0.000	0.000
1195	P	93	SER	0	-0.001	-0.010	45.546	-0.142	-0.142	0.000	0.000	0.000	0.000
1196	P	94	CYS	0	-0.060	-0.009	47.410	-0.391	-0.391	0.000	0.000	0.000	0.000
1197	P	95	VAL	0	0.002	-0.005	46.205	0.566	0.566	0.000	0.000	0.000	0.000
1198	P	96	MET	0	-0.036	-0.035	48.504	0.051	0.051	0.000	0.000	0.000	0.000
1199	P	97	SER	0	-0.002	-0.011	51.415	-0.354	-0.354	0.000	0.000	0.000	0.000
1200	P	98	PHE	0	0.012	-0.002	53.595	0.183	0.183	0.000	0.000	0.000	0.000
1201	P	99	ILE	0	0.009	0.007	56.280	-0.250	-0.250	0.000	0.000	0.000	0.000
1202	P	100	THR	0	-0.013	-0.014	59.439	0.020	0.020	0.000	0.000	0.000	0.000
1203	P	101	ASN	0	-0.007	0.014	62.749	-0.205	-0.205	0.000	0.000	0.000	0.000
1204	P	102	ARG	1	0.906	0.951	58.921	-20.007	-20.007	0.000	0.000	0.000	0.000
1205	P	103	PRO	0	0.012	0.021	64.932	-0.332	-0.332	0.000	0.000	0.000	0.000
1206	P	104	ALA	0	-0.012	0.000	67.142	0.115	0.115	0.000	0.000	0.000	0.000
1207	P	105	ASN	0	-0.035	-0.030	68.240	0.119	0.119	0.000	0.000	0.000	0.000
1208	P	106	GLU	-1	-0.718	-0.768	62.271	19.377	19.377	0.000	0.000	0.000	0.000
1209	P	107	PRO	0	-0.022	-0.009	64.864	0.095	0.095	0.000	0.000	0.000	0.000
1210	P	108	GLY	0	0.024	0.009	61.431	0.149	0.149	0.000	0.000	0.000	0.000
1211	P	109	PHE	0	-0.029	-0.026	58.184	-0.115	-0.115	0.000	0.000	0.000	0.000
1212	P	110	TYR	0	-0.101	-0.044	59.519	0.019	0.019	0.000	0.000	0.000	0.000
1213	P	111	LEU	0	-0.043	-0.022	52.723	0.189	0.189	0.000	0.000	0.000	0.000
1214	P	112	ASP	-1	-0.962	-0.980	57.103	20.438	20.438	0.000	0.000	0.000	0.000
1215	P	113	ARG	1	0.833	0.892	54.103	-21.485	-21.485	0.000	0.000	0.000	0.000
1216	P	114	THR	0	0.032	0.025	55.029	-0.469	-0.469	0.000	0.000	0.000	0.000
1217	P	115	GLU	-1	-0.965	-0.986	53.985	22.258	22.258	0.000	0.000	0.000	0.000
1218	P	116	GLY	0	0.024	0.017	51.007	-0.095	-0.095	0.000	0.000	0.000	0.000
1219	P	117	VAL	0	0.016	0.008	47.079	-0.209	-0.209	0.000	0.000	0.000	0.000
1220	P	118	GLY	0	0.013	0.003	47.923	0.343	0.343	0.000	0.000	0.000	0.000
1221	P	119	ARG	1	0.901	0.930	47.188	-23.956	-23.956	0.000	0.000	0.000	0.000
1222	P	120	GLN	0	-0.004	0.017	46.093	0.134	0.134	0.000	0.000	0.000	0.000
1223	P	121	ILE	0	-0.003	0.007	48.317	-0.523	-0.523	0.000	0.000	0.000	0.000
1224	P	122	VAL	0	-0.015	-0.006	49.643	0.480	0.480	0.000	0.000	0.000	0.000
1225	P	123	TYR	0	0.013	-0.035	48.695	-0.421	-0.421	0.000	0.000	0.000	0.000
1226	P	124	SER	0	-0.005	0.005	52.740	-0.031	-0.031	0.000	0.000	0.000	0.000
1227	P	125	ILE	0	0.023	0.015	52.071	-0.292	-0.292	0.000	0.000	0.000	0.000
1228	P	126	LYS	1	0.931	0.969	56.159	-20.764	-20.764	0.000	0.000	0.000	0.000
1229	P	127	SER	0	0.062	0.038	59.921	-0.129	-0.129	0.000	0.000	0.000	0.000
1230	P	128	TYR	0	-0.001	-0.019	61.961	-0.304	-0.304	0.000	0.000	0.000	0.000
1231	P	129	SER	0	0.020	0.002	65.094	-0.218	-0.218	0.000	0.000	0.000	0.000
1232	P	130	VAL	0	0.011	0.004	62.762	-0.275	-0.275	0.000	0.000	0.000	0.000
1233	P	131	GLN	0	-0.035	-0.004	65.121	0.014	0.014	0.000	0.000	0.000	0.000
1234	P	132	ALA	0	-0.056	-0.016	66.738	-0.213	-0.213	0.000	0.000	0.000	0.000
1235	P	133	ASN	0	-0.015	-0.005	69.553	-0.484	-0.484	0.000	0.000	0.000	0.000
1236	P	134	PRO	0	0.004	0.004	69.360	0.302	0.302	0.000	0.000	0.000	0.000
1237	P	135	GLU	-1	-0.898	-0.955	66.540	18.652	18.652	0.000	0.000	0.000	0.000
1238	P	136	GLY	0	-0.007	-0.005	69.111	-0.247	-0.247	0.000	0.000	0.000	0.000
1239	P	137	SER	0	-0.109	-0.059	71.492	-0.359	-0.359	0.000	0.000	0.000	0.000
1240	P	138	ARG	1	0.828	0.922	65.258	-18.903	-18.903	0.000	0.000	0.000	0.000
1241	P	139	TYR	0	-0.084	-0.072	64.188	-0.008	-0.008	0.000	0.000	0.000	0.000
1243	B	902	CAP	-4	-3.222	-3.615	28.257	140.629	140.629	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1242(A:902:CAP)