FMO DATABASE

FMODB ID: N1NLQ

Calculation Name: 3KDO-AH-Xray434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 3KDO

Chain ID: AH

ChEMBL ID:

UniProt ID: O93627

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	878
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-26481323.94529
FMO2-HF: Nuclear repulsion	26137314.103669
FMO2-HF: Total energy	-344009.841621
FMO2-MP2: Total energy	-345022.837164

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.
-314.869	-335.599	206.264	-97.491	-88.040	-0.727

Interactive mode: IFIE and PIEDA for fragment #877(A:600:CAP)

Summations of interaction energy for fragment #877(A:600: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.
-314.869	-335.599	206.264	-97.491	-88.04	0.727

Interaction energy analysis for fragmet #877(A:600:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.167 / q_NPA : -3.636

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].
153	A	161	VAL	0	0.040	0.019	2.537	-13.101	-11.484	0.608	-0.705	-1.520	0.003
154	A	162	PRO	0	-0.043	-0.024	4.810	14.017	14.141	-0.001	-0.005	-0.118	0.000
155	A	163	LYS	1	0.812	0.904	2.132	-221.464	-219.437	8.704	-4.619	-6.111	0.070
157	A	165	LYS	1	0.752	0.866	4.565	-156.543	-156.213	-0.001	-0.090	-0.239	0.000
181	A	189	KCX	-1	-0.455	-0.754	1.564	171.377	158.850	34.911	-13.461	-8.923	-0.121
183	A	191	ASP	0	0.225	0.059	4.425	6.330	6.480	-0.001	-0.027	-0.122	0.000
184	A	192	GLU	0	0.172	-0.033	4.052	-14.656	-14.304	-0.001	-0.080	-0.271	0.000
274	A	281	HIS	0	0.059	-0.014	1.875	1.946	-1.458	11.869	-3.777	-4.687	0.012
275	A	282	ARG	1	0.850	0.911	2.074	-272.935	-269.018	15.032	-10.162	-8.787	0.142
276	A	283	ALA	0	0.053	0.024	5.012	-2.437	-2.357	-0.001	-0.012	-0.067	0.000
278	A	285	HIS	1	0.903	0.956	3.249	-180.882	-178.222	0.054	-1.433	-1.281	0.014
307	A	314	HIS	0	0.022	0.034	1.896	-56.443	-52.953	11.042	-7.436	-7.096	0.094
308	A	315	VAL	0	-0.019	-0.007	4.623	-6.152	-5.957	-0.001	-0.030	-0.164	0.000
309	A	316	GLY	0	0.061	0.013	4.009	-0.537	-0.120	0.004	-0.169	-0.252	0.001
315	A	322	LYS	1	0.764	0.871	1.661	-282.436	-290.136	22.226	-8.984	-5.541	0.110
316	A	323	LEU	0	-0.015	-0.010	2.587	-19.963	-17.754	3.603	-2.274	-3.538	0.024
358	A	365	THR	0	0.004	0.008	5.171	-5.771	-5.733	-0.001	-0.003	-0.033	0.000
359	A	366	SER	0	-0.058	-0.063	4.916	15.459	15.626	-0.001	-0.005	-0.161	0.000
360	A	367	SER	0	0.027	-0.050	1.499	-27.517	-45.270	40.149	-15.145	-7.252	0.047
361	A	368	GLY	0	0.078	0.044	2.233	5.813	9.695	4.590	-3.921	-4.551	0.014
362	A	369	GLY	0	-0.059	-0.043	1.715	-50.713	-57.745	15.447	-4.147	-4.268	0.072
363	A	370	LEU	0	-0.021	0.005	3.615	-37.412	-36.437	0.032	-0.315	-0.691	0.006
364	A	371	HIS	0	-0.004	-0.027	5.089	5.887	6.033	-0.001	-0.007	-0.138	0.000
382	A	389	GLN	0	0.055	0.016	2.172	-31.244	-28.967	5.963	-3.748	-4.493	0.025
383	A	390	LEU	0	-0.063	-0.019	3.118	18.193	20.076	0.171	-0.914	-1.141	0.005
384	A	391	GLY	0	0.126	0.077	1.741	-42.420	-47.937	15.674	-6.267	-3.890	0.073
385	A	392	GLY	0	0.027	0.001	1.860	-55.208	-57.775	9.305	-3.007	-3.731	0.062
386	A	393	GLY	0	-0.052	-0.027	3.733	-32.500	-31.656	0.027	-0.430	-0.440	0.005
485	H	54	THR	0	-0.003	-0.008	2.115	-0.242	1.551	3.178	-2.657	-2.314	0.039
486	H	55	TRP	0	0.021	0.002	2.611	-51.118	-47.694	1.749	-2.255	-2.919	0.030
487	H	56	THR	0	-0.073	-0.037	5.189	-20.573	-20.488	-0.001	-0.001	-0.083	0.000
542	H	111	ASN	0	0.095	-0.003	2.565	-6.423	-3.818	1.937	-1.402	-3.140	0.000
543	H	112	ILE	0	0.000	0.019	5.143	1.997	2.080	-0.001	-0.003	-0.078	0.000
1	A	9	TYR	0	0.033	-0.003	36.655	-0.104	-0.104	0.000	0.000	0.000	0.000
2	A	10	ASP	-1	-0.902	-0.964	37.791	29.093	29.093	0.000	0.000	0.000	0.000
3	A	11	TYR	0	-0.002	-0.002	39.570	0.017	0.017	0.000	0.000	0.000	0.000
4	A	12	TYR	0	-0.052	-0.021	35.048	-0.363	-0.363	0.000	0.000	0.000	0.000
5	A	13	VAL	0	-0.020	-0.005	35.365	1.081	1.081	0.000	0.000	0.000	0.000
6	A	14	ASP	-1	-0.840	-0.932	36.672	28.564	28.564	0.000	0.000	0.000	0.000
7	A	15	LYS	1	0.813	0.900	36.388	-30.946	-30.946	0.000	0.000	0.000	0.000
8	A	16	GLY	0	-0.035	0.001	37.697	0.025	0.025	0.000	0.000	0.000	0.000
9	A	17	TYR	0	-0.091	-0.051	34.340	-0.449	-0.449	0.000	0.000	0.000	0.000
10	A	18	GLU	-1	-0.924	-0.964	36.444	32.213	32.213	0.000	0.000	0.000	0.000
11	A	19	PRO	0	-0.028	-0.004	32.012	-0.146	-0.146	0.000	0.000	0.000	0.000
12	A	20	SER	0	0.005	-0.012	33.774	-0.309	-0.309	0.000	0.000	0.000	0.000
13	A	21	LYS	1	0.956	0.958	31.279	-35.093	-35.093	0.000	0.000	0.000	0.000
14	A	22	LYS	1	0.810	0.890	31.123	-34.721	-34.721	0.000	0.000	0.000	0.000
15	A	23	ARG	1	0.947	0.960	33.011	-29.992	-29.992	0.000	0.000	0.000	0.000
16	A	24	ASP	-1	-0.710	-0.796	31.277	33.813	33.813	0.000	0.000	0.000	0.000
17	A	25	ILE	0	-0.013	-0.002	25.462	0.901	0.901	0.000	0.000	0.000	0.000
18	A	26	ILE	0	-0.031	-0.005	25.951	-0.815	-0.815	0.000	0.000	0.000	0.000
19	A	27	ALA	0	0.009	0.023	23.324	1.891	1.891	0.000	0.000	0.000	0.000
20	A	28	VAL	0	-0.023	-0.002	21.858	-1.645	-1.645	0.000	0.000	0.000	0.000
21	A	29	PHE	0	0.035	-0.007	21.723	2.755	2.755	0.000	0.000	0.000	0.000
22	A	30	ARG	1	0.926	0.977	20.181	-52.527	-52.527	0.000	0.000	0.000	0.000
23	A	31	VAL	0	-0.024	-0.016	22.781	0.752	0.752	0.000	0.000	0.000	0.000
24	A	32	THR	0	0.026	0.015	25.082	0.064	0.064	0.000	0.000	0.000	0.000
25	A	33	PRO	0	0.006	0.006	26.841	0.245	0.245	0.000	0.000	0.000	0.000
26	A	34	ALA	0	-0.044	-0.012	30.098	0.441	0.441	0.000	0.000	0.000	0.000
27	A	35	GLU	-1	-0.942	-0.978	31.444	33.448	33.448	0.000	0.000	0.000	0.000
28	A	36	GLY	0	-0.010	0.002	34.380	-0.598	-0.598	0.000	0.000	0.000	0.000
29	A	37	TYR	0	0.012	-0.019	34.157	-0.589	-0.589	0.000	0.000	0.000	0.000
30	A	38	THR	0	-0.002	0.012	34.808	0.553	0.553	0.000	0.000	0.000	0.000
31	A	39	ILE	0	0.066	0.040	29.615	0.550	0.550	0.000	0.000	0.000	0.000
32	A	40	GLU	-1	-0.824	-0.925	32.681	32.713	32.713	0.000	0.000	0.000	0.000
33	A	41	GLN	0	-0.012	-0.017	35.089	0.456	0.456	0.000	0.000	0.000	0.000
34	A	42	ALA	0	-0.019	0.007	30.149	0.217	0.217	0.000	0.000	0.000	0.000
35	A	43	ALA	0	0.019	-0.004	30.185	0.434	0.434	0.000	0.000	0.000	0.000
36	A	44	GLY	0	0.005	0.010	31.229	0.122	0.122	0.000	0.000	0.000	0.000
37	A	45	ALA	0	-0.011	-0.016	32.357	-0.070	-0.070	0.000	0.000	0.000	0.000
38	A	46	VAL	0	0.035	0.012	26.970	0.164	0.164	0.000	0.000	0.000	0.000
39	A	47	ALA	0	0.048	0.026	29.761	0.297	0.297	0.000	0.000	0.000	0.000
40	A	48	ALA	0	-0.054	-0.015	31.156	-0.430	-0.430	0.000	0.000	0.000	0.000
41	A	49	GLU	-1	-0.881	-0.964	30.153	34.435	34.435	0.000	0.000	0.000	0.000
42	A	50	SER	0	0.007	0.034	27.491	0.555	0.555	0.000	0.000	0.000	0.000
43	A	51	SER	0	-0.009	-0.015	29.171	-0.162	-0.162	0.000	0.000	0.000	0.000
44	A	52	THR	0	0.032	0.001	32.234	-0.058	-0.058	0.000	0.000	0.000	0.000
45	A	53	GLY	0	-0.003	-0.002	34.990	-0.875	-0.875	0.000	0.000	0.000	0.000
46	A	54	THR	0	0.027	0.006	36.422	-0.166	-0.166	0.000	0.000	0.000	0.000
47	A	55	TRP	0	0.001	-0.001	37.018	-0.139	-0.139	0.000	0.000	0.000	0.000
48	A	56	THR	0	-0.026	-0.023	38.667	-0.787	-0.787	0.000	0.000	0.000	0.000
49	A	57	THR	0	-0.014	-0.007	42.364	0.154	0.154	0.000	0.000	0.000	0.000
50	A	58	LEU	0	0.047	0.026	40.514	-0.307	-0.307	0.000	0.000	0.000	0.000
51	A	59	TYR	0	-0.047	-0.034	45.019	-0.469	-0.469	0.000	0.000	0.000	0.000
52	A	60	PRO	0	-0.006	0.006	46.968	0.441	0.441	0.000	0.000	0.000	0.000
53	A	61	TRP	0	-0.080	-0.050	42.421	-0.777	-0.777	0.000	0.000	0.000	0.000
54	A	62	TYR	0	0.034	0.023	43.833	0.038	0.038	0.000	0.000	0.000	0.000
55	A	63	GLU	-1	-0.945	-0.968	45.919	24.914	24.914	0.000	0.000	0.000	0.000
56	A	64	GLN	0	-0.027	-0.026	45.126	0.891	0.891	0.000	0.000	0.000	0.000
57	A	65	GLU	-1	-0.895	-0.953	44.719	24.801	24.801	0.000	0.000	0.000	0.000
58	A	66	ARG	1	0.867	0.929	41.018	-26.258	-26.258	0.000	0.000	0.000	0.000
59	A	67	TRP	0	0.014	0.004	39.226	0.511	0.511	0.000	0.000	0.000	0.000
60	A	68	ALA	0	-0.040	-0.023	39.610	0.813	0.813	0.000	0.000	0.000	0.000
61	A	69	ASP	-1	-0.925	-0.947	40.122	29.511	29.511	0.000	0.000	0.000	0.000
62	A	70	LEU	0	-0.014	-0.004	35.981	0.708	0.708	0.000	0.000	0.000	0.000
63	A	71	SER	0	-0.076	-0.023	35.124	0.943	0.943	0.000	0.000	0.000	0.000
64	A	72	ALA	0	0.034	0.036	31.754	-0.119	-0.119	0.000	0.000	0.000	0.000
65	A	73	LYS	1	0.882	0.937	33.301	-30.960	-30.960	0.000	0.000	0.000	0.000
66	A	74	ALA	0	0.006	0.011	31.858	0.965	0.965	0.000	0.000	0.000	0.000
67	A	75	TYR	0	0.022	-0.003	29.516	-0.621	-0.621	0.000	0.000	0.000	0.000
68	A	76	ASP	-1	-0.893	-0.943	30.315	36.642	36.642	0.000	0.000	0.000	0.000
69	A	77	PHE	0	-0.076	-0.050	30.400	0.451	0.451	0.000	0.000	0.000	0.000
70	A	78	HIS	0	0.072	0.029	27.741	-1.312	-1.312	0.000	0.000	0.000	0.000
71	A	79	ASP	-1	-0.914	-0.995	28.367	37.705	37.705	0.000	0.000	0.000	0.000
72	A	80	MET	0	-0.042	0.000	22.983	0.444	0.444	0.000	0.000	0.000	0.000
73	A	81	GLY	0	-0.013	0.010	27.109	0.321	0.321	0.000	0.000	0.000	0.000
74	A	82	ASP	-1	-0.842	-0.924	24.616	45.262	45.262	0.000	0.000	0.000	0.000
75	A	83	GLY	0	0.008	0.002	27.687	0.236	0.236	0.000	0.000	0.000	0.000
76	A	84	SER	0	-0.098	-0.061	24.582	0.523	0.523	0.000	0.000	0.000	0.000
77	A	85	TRP	0	0.020	0.012	26.609	-0.649	-0.649	0.000	0.000	0.000	0.000
78	A	86	ILE	0	-0.007	0.005	23.210	1.170	1.170	0.000	0.000	0.000	0.000
79	A	87	VAL	0	-0.020	-0.016	25.542	-1.472	-1.472	0.000	0.000	0.000	0.000
80	A	88	ARG	1	0.911	0.986	26.262	-38.902	-38.902	0.000	0.000	0.000	0.000
81	A	89	ILE	0	0.017	0.001	27.460	-1.646	-1.646	0.000	0.000	0.000	0.000
82	A	90	ALA	0	-0.007	-0.009	28.209	1.337	1.337	0.000	0.000	0.000	0.000
83	A	91	TYR	0	-0.040	-0.049	27.182	-0.601	-0.601	0.000	0.000	0.000	0.000
84	A	92	PRO	0	0.089	0.072	31.065	0.727	0.727	0.000	0.000	0.000	0.000
85	A	93	PHE	0	0.060	0.005	30.626	0.016	0.016	0.000	0.000	0.000	0.000
86	A	94	HIS	0	-0.119	-0.044	31.595	1.101	1.101	0.000	0.000	0.000	0.000
87	A	95	ALA	0	0.033	0.015	32.155	-0.830	-0.830	0.000	0.000	0.000	0.000
88	A	96	PHE	0	-0.040	-0.026	28.308	0.208	0.208	0.000	0.000	0.000	0.000
89	A	97	GLU	-1	-0.778	-0.878	29.945	36.039	36.039	0.000	0.000	0.000	0.000
90	A	98	GLU	-1	-0.999	-1.000	29.230	34.534	34.534	0.000	0.000	0.000	0.000
91	A	99	ALA	0	0.005	-0.004	26.426	0.066	0.066	0.000	0.000	0.000	0.000
92	A	100	ASN	0	0.084	0.054	25.689	1.914	1.914	0.000	0.000	0.000	0.000
93	A	101	LEU	0	-0.012	-0.003	18.024	0.181	0.181	0.000	0.000	0.000	0.000
94	A	102	PRO	0	0.042	0.017	21.337	0.541	0.541	0.000	0.000	0.000	0.000
95	A	103	GLY	0	0.081	0.026	22.359	-0.090	-0.090	0.000	0.000	0.000	0.000
96	A	104	LEU	0	-0.047	-0.012	22.799	-0.508	-0.508	0.000	0.000	0.000	0.000
97	A	105	LEU	0	-0.037	-0.029	17.960	-0.132	-0.132	0.000	0.000	0.000	0.000
98	A	106	ALA	0	0.025	0.011	21.818	0.431	0.431	0.000	0.000	0.000	0.000
99	A	107	SER	0	-0.070	-0.037	24.333	-1.694	-1.694	0.000	0.000	0.000	0.000
100	A	108	ILE	0	-0.032	-0.027	21.528	-0.333	-0.333	0.000	0.000	0.000	0.000
101	A	109	ALA	0	-0.018	-0.019	19.402	1.247	1.247	0.000	0.000	0.000	0.000
102	A	110	GLY	0	0.110	0.057	21.047	1.439	1.439	0.000	0.000	0.000	0.000
103	A	111	ASN	0	0.078	0.005	23.616	2.141	2.141	0.000	0.000	0.000	0.000
104	A	112	ILE	0	-0.009	0.015	23.106	-0.226	-0.226	0.000	0.000	0.000	0.000
105	A	113	PHE	0	0.010	0.015	19.275	-0.410	-0.410	0.000	0.000	0.000	0.000
106	A	114	GLY	0	-0.006	-0.020	23.569	0.521	0.521	0.000	0.000	0.000	0.000
107	A	115	MET	0	-0.018	0.004	26.112	-1.967	-1.967	0.000	0.000	0.000	0.000
108	A	116	LYS	1	0.884	0.969	28.684	-33.633	-33.633	0.000	0.000	0.000	0.000
109	A	117	ARG	1	0.803	0.939	31.002	-31.872	-31.872	0.000	0.000	0.000	0.000
110	A	118	VAL	0	-0.016	-0.004	26.647	-0.365	-0.365	0.000	0.000	0.000	0.000
111	A	119	LYS	1	0.921	0.952	26.534	-38.890	-38.890	0.000	0.000	0.000	0.000
112	A	120	GLY	0	-0.019	-0.006	22.981	1.221	1.221	0.000	0.000	0.000	0.000
113	A	121	LEU	0	-0.015	0.002	22.375	-1.042	-1.042	0.000	0.000	0.000	0.000
114	A	122	ARG	1	0.869	0.953	13.287	-65.831	-65.831	0.000	0.000	0.000	0.000
115	A	123	LEU	0	-0.023	0.005	18.206	-1.079	-1.079	0.000	0.000	0.000	0.000
116	A	124	GLU	-1	-0.867	-0.962	17.305	63.333	63.333	0.000	0.000	0.000	0.000
117	A	125	ASP	-1	-0.833	-0.943	17.337	57.912	57.912	0.000	0.000	0.000	0.000
118	A	126	LEU	0	0.003	0.007	19.390	-2.334	-2.334	0.000	0.000	0.000	0.000
119	A	127	TYR	0	-0.117	-0.045	21.071	0.840	0.840	0.000	0.000	0.000	0.000
120	A	128	PHE	0	0.041	0.002	21.782	-0.987	-0.987	0.000	0.000	0.000	0.000
121	A	129	PRO	0	0.051	0.034	24.843	-0.016	-0.016	0.000	0.000	0.000	0.000
122	A	130	GLU	-1	-0.833	-0.920	27.577	36.625	36.625	0.000	0.000	0.000	0.000
123	A	131	LYS	1	0.901	0.958	28.857	-34.451	-34.451	0.000	0.000	0.000	0.000
124	A	132	LEU	0	0.112	0.048	25.309	-0.203	-0.203	0.000	0.000	0.000	0.000
125	A	133	ILE	0	-0.058	-0.014	22.886	0.957	0.957	0.000	0.000	0.000	0.000
126	A	134	ARG	1	0.796	0.863	24.817	-37.071	-37.071	0.000	0.000	0.000	0.000
127	A	135	GLU	-1	-0.856	-0.906	26.156	38.597	38.597	0.000	0.000	0.000	0.000
128	A	136	PHE	0	-0.056	-0.021	20.610	0.903	0.903	0.000	0.000	0.000	0.000
129	A	137	ASP	-1	-0.865	-0.933	22.643	42.939	42.939	0.000	0.000	0.000	0.000
130	A	138	GLY	0	-0.060	-0.027	19.420	-0.181	-0.181	0.000	0.000	0.000	0.000
131	A	139	PRO	0	-0.082	-0.028	16.561	-0.872	-0.872	0.000	0.000	0.000	0.000
132	A	140	ALA	0	0.043	0.034	18.884	-2.536	-2.536	0.000	0.000	0.000	0.000
133	A	141	PHE	0	-0.084	-0.027	18.723	-1.871	-1.871	0.000	0.000	0.000	0.000
134	A	142	GLY	0	0.011	-0.006	17.308	-1.805	-1.805	0.000	0.000	0.000	0.000
135	A	143	ILE	0	-0.019	-0.010	15.321	-0.017	-0.017	0.000	0.000	0.000	0.000
136	A	144	GLU	-1	-0.901	-0.938	17.605	45.835	45.835	0.000	0.000	0.000	0.000
137	A	145	GLY	0	0.025	0.004	20.713	-1.350	-1.350	0.000	0.000	0.000	0.000
138	A	146	VAL	0	0.029	0.011	15.447	-0.504	-0.504	0.000	0.000	0.000	0.000
139	A	147	ARG	1	0.756	0.856	17.468	-63.587	-63.587	0.000	0.000	0.000	0.000
140	A	148	LYS	1	0.803	0.888	20.113	-46.805	-46.805	0.000	0.000	0.000	0.000
141	A	149	MET	0	-0.008	0.025	17.458	-0.934	-0.934	0.000	0.000	0.000	0.000
142	A	150	LEU	0	-0.040	-0.038	15.512	-0.399	-0.399	0.000	0.000	0.000	0.000
143	A	151	GLU	-1	-0.891	-0.945	20.157	45.867	45.867	0.000	0.000	0.000	0.000
144	A	152	ILE	0	-0.037	-0.003	17.405	-0.387	-0.387	0.000	0.000	0.000	0.000
145	A	153	LYS	1	0.903	0.963	20.699	-43.257	-43.257	0.000	0.000	0.000	0.000
146	A	154	ASP	-1	-0.880	-0.951	21.480	50.757	50.757	0.000	0.000	0.000	0.000
147	A	155	ARG	1	0.805	0.876	15.595	-64.667	-64.667	0.000	0.000	0.000	0.000
148	A	156	PRO	0	0.051	0.028	13.778	-0.786	-0.786	0.000	0.000	0.000	0.000
149	A	157	ILE	0	-0.015	0.006	12.786	-1.784	-1.784	0.000	0.000	0.000	0.000
150	A	158	TYR	0	-0.031	-0.041	7.605	2.391	2.391	0.000	0.000	0.000	0.000
151	A	159	GLY	0	0.049	-0.036	8.945	-8.172	-8.172	0.000	0.000	0.000	0.000
152	A	160	VAL	0	-0.072	-0.033	6.347	10.942	10.942	0.000	0.000	0.000	0.000
156	A	164	PRO	0	0.041	-0.003	6.643	-6.785	-6.785	0.000	0.000	0.000	0.000
158	A	166	VAL	0	0.028	0.019	7.379	-4.110	-4.110	0.000	0.000	0.000	0.000
159	A	167	GLY	0	0.039	0.008	10.865	-0.037	-0.037	0.000	0.000	0.000	0.000
160	A	168	TYR	0	-0.060	-0.010	8.916	-6.047	-6.047	0.000	0.000	0.000	0.000
161	A	169	SER	0	0.037	0.014	14.747	1.044	1.044	0.000	0.000	0.000	0.000
162	A	170	PRO	0	0.059	0.026	16.400	3.166	3.166	0.000	0.000	0.000	0.000
163	A	171	GLU	-1	-0.866	-0.940	17.786	51.714	51.714	0.000	0.000	0.000	0.000
164	A	172	GLU	-1	-0.804	-0.897	16.130	62.393	62.393	0.000	0.000	0.000	0.000
165	A	173	PHE	0	-0.013	-0.023	10.945	2.211	2.211	0.000	0.000	0.000	0.000
166	A	174	GLU	-1	-0.867	-0.936	15.003	51.499	51.499	0.000	0.000	0.000	0.000
167	A	175	LYS	1	0.821	0.916	17.808	-54.981	-54.981	0.000	0.000	0.000	0.000
168	A	176	LEU	0	0.000	-0.001	10.429	0.405	0.405	0.000	0.000	0.000	0.000
169	A	177	ALA	0	0.030	0.006	13.760	1.418	1.418	0.000	0.000	0.000	0.000
170	A	178	TYR	0	-0.087	-0.124	14.713	-0.389	-0.389	0.000	0.000	0.000	0.000
171	A	179	ASP	-1	-0.846	-0.926	16.031	58.295	58.295	0.000	0.000	0.000	0.000
172	A	180	LEU	0	-0.006	-0.027	10.341	-0.336	-0.336	0.000	0.000	0.000	0.000
173	A	181	LEU	0	0.013	0.024	13.395	-1.412	-1.412	0.000	0.000	0.000	0.000
174	A	182	SER	0	0.024	0.006	15.921	-2.678	-2.678	0.000	0.000	0.000	0.000
175	A	183	ASN	0	-0.147	-0.071	16.118	-3.337	-3.337	0.000	0.000	0.000	0.000
176	A	184	GLY	0	0.031	-0.010	15.540	1.998	1.998	0.000	0.000	0.000	0.000
177	A	185	ALA	0	0.022	0.038	12.079	1.562	1.562	0.000	0.000	0.000	0.000
178	A	186	ASP	-1	-0.745	-0.850	12.917	67.541	67.541	0.000	0.000	0.000	0.000
179	A	187	TYR	0	-0.016	0.044	7.582	-0.919	-0.919	0.000	0.000	0.000	0.000
180	A	188	MET	0	-0.008	0.030	9.282	5.747	5.747	0.000	0.000	0.000	0.000
182	A	190	ASP	-1	-0.689	-0.840	6.657	89.249	89.249	0.000	0.000	0.000	0.000
186	A	193	ASN	0	-0.021	0.008	5.673	-2.934	-2.934	0.000	0.000	0.000	0.000
187	A	194	LEU	0	-0.093	-0.026	8.271	-7.220	-7.220	0.000	0.000	0.000	0.000
188	A	195	THR	0	0.035	0.023	10.216	-0.092	-0.092	0.000	0.000	0.000	0.000
189	A	196	SER	0	0.000	0.029	13.040	-0.309	-0.309	0.000	0.000	0.000	0.000
190	A	197	PRO	0	0.017	0.024	14.639	-4.229	-4.229	0.000	0.000	0.000	0.000
191	A	198	TRP	0	-0.036	-0.039	17.736	-0.932	-0.932	0.000	0.000	0.000	0.000
192	A	199	TYR	0	-0.044	-0.027	13.590	0.073	0.073	0.000	0.000	0.000	0.000
193	A	200	ASN	0	-0.006	-0.014	14.446	0.548	0.548	0.000	0.000	0.000	0.000
194	A	201	ARG	1	0.949	0.993	16.046	-49.038	-49.038	0.000	0.000	0.000	0.000
195	A	202	PHE	0	0.097	0.023	13.844	0.550	0.550	0.000	0.000	0.000	0.000
196	A	203	GLU	-1	-0.837	-0.931	17.230	49.155	49.155	0.000	0.000	0.000	0.000
197	A	204	GLU	-1	-0.927	-0.967	19.773	49.831	49.831	0.000	0.000	0.000	0.000
198	A	205	ARG	1	0.758	0.846	12.433	-73.815	-73.815	0.000	0.000	0.000	0.000
199	A	206	ALA	0	0.016	-0.003	17.067	1.377	1.377	0.000	0.000	0.000	0.000
200	A	207	GLU	-1	-0.862	-0.930	18.456	45.551	45.551	0.000	0.000	0.000	0.000
201	A	208	ILE	0	-0.092	-0.042	18.027	-0.662	-0.662	0.000	0.000	0.000	0.000
202	A	209	MET	0	-0.029	-0.015	14.128	0.321	0.321	0.000	0.000	0.000	0.000
203	A	210	ALA	0	0.065	0.041	17.670	-0.078	-0.078	0.000	0.000	0.000	0.000
204	A	211	LYS	1	0.924	0.975	20.710	-48.569	-48.569	0.000	0.000	0.000	0.000
205	A	212	ILE	0	-0.093	-0.058	17.763	-1.429	-1.429	0.000	0.000	0.000	0.000
206	A	213	ILE	0	-0.024	-0.010	16.819	0.262	0.262	0.000	0.000	0.000	0.000
207	A	214	ASP	-1	-0.853	-0.910	20.124	45.218	45.218	0.000	0.000	0.000	0.000
208	A	215	LYS	1	0.844	0.927	22.962	-45.831	-45.831	0.000	0.000	0.000	0.000
209	A	216	VAL	0	0.041	0.003	19.222	-1.064	-1.064	0.000	0.000	0.000	0.000
210	A	217	GLU	-1	-0.851	-0.895	21.086	51.265	51.265	0.000	0.000	0.000	0.000
211	A	218	ASN	0	-0.110	-0.059	23.332	-2.136	-2.136	0.000	0.000	0.000	0.000
212	A	219	GLU	-1	-0.906	-0.867	24.939	43.549	43.549	0.000	0.000	0.000	0.000
213	A	220	THR	0	-0.085	-0.044	21.708	-0.484	-0.484	0.000	0.000	0.000	0.000
214	A	221	GLY	0	-0.015	0.002	24.874	-0.906	-0.906	0.000	0.000	0.000	0.000
215	A	222	GLU	-1	-1.004	-1.000	20.731	53.051	53.051	0.000	0.000	0.000	0.000
216	A	223	LYS	1	0.907	0.971	20.600	-47.054	-47.054	0.000	0.000	0.000	0.000
217	A	224	LYS	1	0.807	0.891	16.561	-60.679	-60.679	0.000	0.000	0.000	0.000
218	A	225	THR	0	0.008	-0.003	13.572	-3.704	-3.704	0.000	0.000	0.000	0.000
219	A	226	TRP	0	-0.004	-0.024	11.111	1.107	1.107	0.000	0.000	0.000	0.000
220	A	227	PHE	0	-0.048	-0.028	7.889	-1.881	-1.881	0.000	0.000	0.000	0.000
221	A	228	ALA	0	0.079	0.056	9.696	5.519	5.519	0.000	0.000	0.000	0.000
222	A	229	ASN	0	-0.001	0.009	8.620	-3.512	-3.512	0.000	0.000	0.000	0.000
223	A	230	ILE	0	0.006	0.003	10.579	-2.556	-2.556	0.000	0.000	0.000	0.000
224	A	231	THR	0	-0.049	-0.033	9.916	-3.927	-3.927	0.000	0.000	0.000	0.000
225	A	232	ALA	0	-0.032	-0.041	12.881	-0.202	-0.202	0.000	0.000	0.000	0.000
226	A	233	ASP	-1	-0.884	-0.932	16.209	53.941	53.941	0.000	0.000	0.000	0.000
227	A	234	LEU	0	0.010	-0.006	19.672	0.544	0.544	0.000	0.000	0.000	0.000
228	A	235	LEU	0	0.053	0.023	21.239	0.467	0.467	0.000	0.000	0.000	0.000
229	A	236	GLU	-1	-0.884	-0.947	19.574	48.626	48.626	0.000	0.000	0.000	0.000
230	A	237	MET	0	-0.120	-0.048	16.220	2.824	2.824	0.000	0.000	0.000	0.000
231	A	238	GLU	-1	-0.817	-0.885	18.520	45.499	45.499	0.000	0.000	0.000	0.000
232	A	239	GLN	0	0.015	0.010	21.654	0.865	0.865	0.000	0.000	0.000	0.000
233	A	240	ARG	1	0.830	0.908	15.810	-58.940	-58.940	0.000	0.000	0.000	0.000
234	A	241	LEU	0	-0.008	-0.011	17.023	1.480	1.480	0.000	0.000	0.000	0.000
235	A	242	GLU	-1	-0.934	-0.960	19.557	41.640	41.640	0.000	0.000	0.000	0.000
236	A	243	VAL	0	-0.010	0.005	20.122	-0.178	-0.178	0.000	0.000	0.000	0.000
237	A	244	LEU	0	-0.086	-0.048	15.651	0.375	0.375	0.000	0.000	0.000	0.000
238	A	245	ALA	0	0.018	0.009	20.032	-0.720	-0.720	0.000	0.000	0.000	0.000
239	A	246	ASP	-1	-0.911	-0.937	22.979	41.032	41.032	0.000	0.000	0.000	0.000
240	A	247	LEU	0	-0.114	-0.053	21.175	-0.944	-0.944	0.000	0.000	0.000	0.000
241	A	248	GLY	0	-0.049	-0.014	23.804	0.046	0.046	0.000	0.000	0.000	0.000
242	A	249	LEU	0	-0.080	-0.031	17.689	1.876	1.876	0.000	0.000	0.000	0.000
243	A	250	LYS	1	0.916	0.933	18.145	-56.360	-56.360	0.000	0.000	0.000	0.000
244	A	251	HIS	0	-0.062	-0.036	13.021	3.080	3.080	0.000	0.000	0.000	0.000
245	A	252	ALA	0	0.080	0.061	13.900	-0.425	-0.425	0.000	0.000	0.000	0.000
246	A	253	MET	0	-0.091	-0.038	5.151	3.068	3.068	0.000	0.000	0.000	0.000
247	A	254	VAL	0	0.050	0.022	9.962	-3.569	-3.569	0.000	0.000	0.000	0.000
248	A	255	ASP	-1	-0.790	-0.901	7.554	114.267	114.267	0.000	0.000	0.000	0.000
249	A	256	VAL	0	-0.042	-0.017	8.239	-6.049	-6.049	0.000	0.000	0.000	0.000
250	A	257	VAL	0	-0.057	-0.025	7.715	-5.054	-5.054	0.000	0.000	0.000	0.000
251	A	258	ILE	0	-0.025	0.011	9.676	-5.471	-5.471	0.000	0.000	0.000	0.000
252	A	259	THR	0	0.000	-0.010	12.153	-5.990	-5.990	0.000	0.000	0.000	0.000
253	A	260	GLY	0	0.018	0.022	13.868	-4.191	-4.191	0.000	0.000	0.000	0.000
254	A	261	TRP	0	-0.046	-0.043	13.653	1.110	1.110	0.000	0.000	0.000	0.000
255	A	262	GLY	0	0.026	0.026	17.605	-1.661	-1.661	0.000	0.000	0.000	0.000
256	A	263	ALA	0	0.039	0.019	19.198	-1.897	-1.897	0.000	0.000	0.000	0.000
257	A	264	LEU	0	-0.029	-0.007	13.513	0.868	0.868	0.000	0.000	0.000	0.000
258	A	265	ARG	1	0.930	0.956	17.486	-45.341	-45.341	0.000	0.000	0.000	0.000
259	A	266	TYR	0	0.003	-0.021	20.179	-0.291	-0.291	0.000	0.000	0.000	0.000
260	A	267	ILE	0	0.021	0.013	16.242	-0.119	-0.119	0.000	0.000	0.000	0.000
261	A	268	ARG	1	0.827	0.903	17.578	-51.088	-51.088	0.000	0.000	0.000	0.000
262	A	269	ASP	-1	-0.884	-0.955	19.038	47.058	47.058	0.000	0.000	0.000	0.000
263	A	270	LEU	0	0.040	0.039	21.418	-0.605	-0.605	0.000	0.000	0.000	0.000
264	A	271	ALA	0	-0.013	-0.015	18.251	-0.584	-0.584	0.000	0.000	0.000	0.000
265	A	272	ALA	0	-0.047	-0.030	20.219	-0.373	-0.373	0.000	0.000	0.000	0.000
266	A	273	ASP	-1	-0.945	-0.966	22.387	41.989	41.989	0.000	0.000	0.000	0.000
267	A	274	TYR	0	-0.047	-0.032	21.806	-1.038	-1.038	0.000	0.000	0.000	0.000
268	A	275	GLY	0	-0.049	-0.006	23.033	-0.416	-0.416	0.000	0.000	0.000	0.000
269	A	276	LEU	0	-0.061	-0.033	17.652	1.365	1.365	0.000	0.000	0.000	0.000
270	A	277	ALA	0	-0.033	-0.013	15.989	0.446	0.446	0.000	0.000	0.000	0.000
271	A	278	ILE	0	0.016	-0.001	12.971	2.735	2.735	0.000	0.000	0.000	0.000
272	A	279	HIS	1	0.767	0.868	5.603	-114.460	-114.460	0.000	0.000	0.000	0.000
273	A	280	GLY	0	0.027	0.003	8.984	-1.386	-1.386	0.000	0.000	0.000	0.000
277	A	284	MET	0	0.038	0.020	5.828	-13.051	-13.051	0.000	0.000	0.000	0.000
279	A	286	ALA	0	-0.053	-0.021	6.290	-9.457	-9.457	0.000	0.000	0.000	0.000
280	A	287	ALA	0	0.019	0.021	8.180	-6.613	-6.613	0.000	0.000	0.000	0.000
281	A	288	PHE	0	0.003	-0.014	11.119	-5.366	-5.366	0.000	0.000	0.000	0.000
282	A	289	THR	0	-0.036	0.002	8.656	3.180	3.180	0.000	0.000	0.000	0.000
283	A	290	ARG	1	0.834	0.934	9.160	-94.792	-94.792	0.000	0.000	0.000	0.000
284	A	291	ASN	0	0.020	0.011	10.659	-3.247	-3.247	0.000	0.000	0.000	0.000
285	A	292	PRO	0	0.085	0.031	14.455	-0.540	-0.540	0.000	0.000	0.000	0.000
286	A	293	TYR	0	-0.051	-0.034	16.162	-1.824	-1.824	0.000	0.000	0.000	0.000
287	A	294	HIS	0	-0.072	-0.060	17.542	-3.242	-3.242	0.000	0.000	0.000	0.000
288	A	295	GLY	0	0.024	0.037	15.971	3.488	3.488	0.000	0.000	0.000	0.000
289	A	296	ILE	0	0.019	-0.004	13.912	-3.135	-3.135	0.000	0.000	0.000	0.000
290	A	297	SER	0	0.036	0.027	12.958	8.102	8.102	0.000	0.000	0.000	0.000
291	A	298	MET	0	-0.034	-0.014	6.414	-0.198	-0.198	0.000	0.000	0.000	0.000
292	A	299	PHE	0	0.004	0.000	10.404	1.787	1.787	0.000	0.000	0.000	0.000
293	A	300	VAL	0	0.038	0.024	13.365	-1.429	-1.429	0.000	0.000	0.000	0.000
294	A	301	LEU	0	0.000	-0.009	9.016	-0.712	-0.712	0.000	0.000	0.000	0.000
295	A	302	ALA	0	0.006	0.018	10.773	0.212	0.212	0.000	0.000	0.000	0.000
296	A	303	LYS	1	0.869	0.940	11.704	-56.013	-56.013	0.000	0.000	0.000	0.000
297	A	304	LEU	0	-0.001	-0.009	14.688	-2.204	-2.204	0.000	0.000	0.000	0.000
298	A	305	TYR	0	0.057	0.016	9.488	0.512	0.512	0.000	0.000	0.000	0.000
299	A	306	ARG	1	0.791	0.889	13.524	-60.022	-60.022	0.000	0.000	0.000	0.000
300	A	307	LEU	0	-0.043	-0.037	15.313	-2.814	-2.814	0.000	0.000	0.000	0.000
301	A	308	ILE	0	0.016	0.003	15.708	-2.257	-2.257	0.000	0.000	0.000	0.000
302	A	309	GLY	0	-0.005	0.006	16.653	-2.262	-2.262	0.000	0.000	0.000	0.000
303	A	310	ILE	0	-0.025	-0.003	10.669	0.832	0.832	0.000	0.000	0.000	0.000
304	A	311	ASP	-1	-0.702	-0.846	14.005	64.082	64.082	0.000	0.000	0.000	0.000
305	A	312	GLN	0	-0.049	-0.027	10.296	5.230	5.230	0.000	0.000	0.000	0.000
306	A	313	LEU	0	0.027	0.031	7.164	1.092	1.092	0.000	0.000	0.000	0.000
310	A	317	THR	0	0.007	0.039	5.015	-12.625	-12.625	0.000	0.000	0.000	0.000
311	A	318	ALA	0	0.010	0.015	7.283	-9.538	-9.538	0.000	0.000	0.000	0.000
312	A	319	GLY	0	0.015	0.017	8.947	-7.439	-7.439	0.000	0.000	0.000	0.000
313	A	320	ALA	0	-0.054	-0.034	10.170	-3.838	-3.838	0.000	0.000	0.000	0.000
314	A	321	GLY	0	0.046	0.019	6.924	0.370	0.370	0.000	0.000	0.000	0.000
317	A	324	GLU	-1	-1.003	-1.005	5.805	95.407	95.407	0.000	0.000	0.000	0.000
318	A	325	GLY	0	0.075	0.020	5.772	15.095	15.095	0.000	0.000	0.000	0.000
319	A	326	GLU	-1	-0.930	-0.951	7.698	78.235	78.235	0.000	0.000	0.000	0.000
320	A	327	ARG	1	0.968	0.977	10.652	-63.617	-63.617	0.000	0.000	0.000	0.000
321	A	328	ASP	-1	-0.920	-0.961	12.953	65.017	65.017	0.000	0.000	0.000	0.000
322	A	329	ILE	0	0.085	0.034	10.827	0.249	0.249	0.000	0.000	0.000	0.000
323	A	330	THR	0	-0.025	-0.011	8.662	4.982	4.982	0.000	0.000	0.000	0.000
324	A	331	LEU	0	-0.013	0.001	10.491	1.807	1.807	0.000	0.000	0.000	0.000
325	A	332	GLY	0	0.085	0.056	13.919	-2.522	-2.522	0.000	0.000	0.000	0.000
326	A	333	PHE	0	-0.048	-0.042	8.530	-1.948	-1.948	0.000	0.000	0.000	0.000
327	A	334	VAL	0	-0.027	-0.020	10.718	-1.247	-1.247	0.000	0.000	0.000	0.000
328	A	335	ASP	-1	-0.854	-0.924	12.770	61.415	61.415	0.000	0.000	0.000	0.000
329	A	336	LEU	0	-0.089	-0.050	14.315	-3.073	-3.073	0.000	0.000	0.000	0.000
330	A	337	LEU	0	-0.042	-0.024	10.283	-1.745	-1.745	0.000	0.000	0.000	0.000
331	A	338	ARG	1	0.818	0.895	14.354	-74.007	-74.007	0.000	0.000	0.000	0.000
332	A	339	GLU	-1	-0.872	-0.920	16.972	51.496	51.496	0.000	0.000	0.000	0.000
333	A	340	SER	0	-0.026	-0.007	20.244	0.274	0.274	0.000	0.000	0.000	0.000
334	A	341	HIS	0	-0.124	-0.098	23.253	-1.450	-1.450	0.000	0.000	0.000	0.000
335	A	342	TYR	0	0.085	0.055	18.803	-0.716	-0.716	0.000	0.000	0.000	0.000
336	A	343	LYS	1	0.886	0.922	22.258	-45.053	-45.053	0.000	0.000	0.000	0.000
337	A	344	PRO	0	0.015	0.030	21.751	0.781	0.781	0.000	0.000	0.000	0.000
338	A	345	ASP	-1	-0.828	-0.901	22.376	48.936	48.936	0.000	0.000	0.000	0.000
339	A	346	GLU	-1	-0.982	-0.997	24.320	37.845	37.845	0.000	0.000	0.000	0.000
340	A	347	ASN	0	-0.071	-0.043	24.403	-0.161	-0.161	0.000	0.000	0.000	0.000
341	A	348	ASP	-1	-0.774	-0.850	20.122	55.837	55.837	0.000	0.000	0.000	0.000
342	A	349	VAL	0	-0.019	-0.009	22.892	-1.176	-1.176	0.000	0.000	0.000	0.000
343	A	350	PHE	0	-0.043	-0.040	19.052	-0.262	-0.262	0.000	0.000	0.000	0.000
344	A	351	HIS	1	0.805	0.883	15.951	-60.458	-60.458	0.000	0.000	0.000	0.000
345	A	352	LEU	0	0.006	0.009	20.822	-1.980	-1.980	0.000	0.000	0.000	0.000
346	A	353	GLU	-1	-0.875	-0.933	22.832	41.702	41.702	0.000	0.000	0.000	0.000
347	A	354	GLN	0	0.014	-0.017	21.284	0.159	0.159	0.000	0.000	0.000	0.000
348	A	355	LYS	1	0.878	0.964	23.609	-38.281	-38.281	0.000	0.000	0.000	0.000
349	A	356	PHE	0	0.090	0.040	18.508	-0.272	-0.272	0.000	0.000	0.000	0.000
350	A	357	TYR	0	-0.079	-0.051	23.608	-0.958	-0.958	0.000	0.000	0.000	0.000
351	A	358	SER	0	0.029	0.007	26.219	-0.337	-0.337	0.000	0.000	0.000	0.000
352	A	359	ILE	0	-0.025	0.011	20.020	0.541	0.541	0.000	0.000	0.000	0.000
353	A	360	LYS	1	0.996	1.004	20.241	-47.708	-47.708	0.000	0.000	0.000	0.000
354	A	361	ALA	0	-0.005	0.026	17.404	1.276	1.276	0.000	0.000	0.000	0.000
355	A	362	ALA	0	0.053	0.025	12.827	-0.203	-0.203	0.000	0.000	0.000	0.000
356	A	363	PHE	0	-0.004	-0.015	12.126	-0.043	-0.043	0.000	0.000	0.000	0.000
357	A	364	PRO	0	-0.011	0.010	9.259	7.078	7.078	0.000	0.000	0.000	0.000
365	A	372	PRO	0	0.011	-0.004	7.844	-5.038	-5.038	0.000	0.000	0.000	0.000
366	A	373	GLY	0	0.010	0.001	11.036	-6.820	-6.820	0.000	0.000	0.000	0.000
367	A	374	ASN	0	-0.021	-0.008	7.420	-4.733	-4.733	0.000	0.000	0.000	0.000
368	A	375	ILE	0	0.095	0.046	8.962	1.458	1.458	0.000	0.000	0.000	0.000
369	A	376	GLN	0	0.042	0.004	11.421	-2.103	-2.103	0.000	0.000	0.000	0.000
370	A	377	PRO	0	-0.068	-0.051	13.657	-2.706	-2.706	0.000	0.000	0.000	0.000
371	A	378	VAL	0	0.016	0.006	9.718	-1.305	-1.305	0.000	0.000	0.000	0.000
372	A	379	ILE	0	-0.020	-0.020	12.677	-1.677	-1.677	0.000	0.000	0.000	0.000
373	A	380	GLU	-1	-0.996	-0.981	14.881	55.633	55.633	0.000	0.000	0.000	0.000
374	A	381	ALA	0	-0.057	-0.030	14.109	-2.860	-2.860	0.000	0.000	0.000	0.000
375	A	382	LEU	0	0.037	0.017	9.636	1.003	1.003	0.000	0.000	0.000	0.000
376	A	383	GLY	0	0.043	0.043	13.991	-1.298	-1.298	0.000	0.000	0.000	0.000
377	A	384	THR	0	0.029	-0.011	14.941	3.758	3.758	0.000	0.000	0.000	0.000
378	A	385	ASP	-1	-0.872	-0.918	15.624	64.234	64.234	0.000	0.000	0.000	0.000
379	A	386	ILE	0	-0.022	-0.018	10.284	2.732	2.732	0.000	0.000	0.000	0.000
380	A	387	VAL	0	0.002	-0.007	8.692	-3.902	-3.902	0.000	0.000	0.000	0.000
381	A	388	LEU	0	-0.010	-0.016	8.194	11.517	11.517	0.000	0.000	0.000	0.000
387	A	394	THR	0	-0.035	-0.021	5.813	-22.027	-22.027	0.000	0.000	0.000	0.000
388	A	395	LEU	0	-0.011	-0.015	5.897	-14.209	-14.209	0.000	0.000	0.000	0.000
389	A	396	GLY	0	0.038	0.025	7.561	-7.519	-7.519	0.000	0.000	0.000	0.000
390	A	397	HIS	0	-0.046	-0.024	8.761	-6.443	-6.443	0.000	0.000	0.000	0.000
391	A	398	PRO	0	-0.026	-0.009	11.851	-2.489	-2.489	0.000	0.000	0.000	0.000
392	A	399	ASP	-1	-0.909	-0.964	15.012	55.715	55.715	0.000	0.000	0.000	0.000
393	A	400	GLY	0	0.009	0.008	13.981	-2.875	-2.875	0.000	0.000	0.000	0.000
394	A	401	PRO	0	0.056	0.021	11.602	0.233	0.233	0.000	0.000	0.000	0.000
395	A	402	ALA	0	0.033	0.026	12.640	1.103	1.103	0.000	0.000	0.000	0.000
396	A	403	ALA	0	-0.029	-0.022	15.533	-0.957	-0.957	0.000	0.000	0.000	0.000
397	A	404	GLY	0	0.036	0.005	11.427	-0.314	-0.314	0.000	0.000	0.000	0.000
398	A	405	ALA	0	-0.018	0.009	11.592	3.420	3.420	0.000	0.000	0.000	0.000
399	A	406	ARG	1	0.888	0.925	12.636	-57.911	-57.911	0.000	0.000	0.000	0.000
400	A	407	ALA	0	-0.036	-0.007	12.830	-1.919	-1.919	0.000	0.000	0.000	0.000
401	A	408	VAL	0	0.019	0.015	8.932	-2.513	-2.513	0.000	0.000	0.000	0.000
402	A	409	ARG	1	0.905	0.946	12.080	-67.907	-67.907	0.000	0.000	0.000	0.000
403	A	410	GLN	0	0.002	-0.008	14.994	-2.471	-2.471	0.000	0.000	0.000	0.000
404	A	411	ALA	0	0.010	0.001	13.730	-2.493	-2.493	0.000	0.000	0.000	0.000
405	A	412	ILE	0	-0.009	0.017	12.343	-2.404	-2.404	0.000	0.000	0.000	0.000
406	A	413	ASP	-1	-0.907	-0.958	15.964	55.129	55.129	0.000	0.000	0.000	0.000
407	A	414	ALA	0	-0.074	-0.044	18.515	-2.898	-2.898	0.000	0.000	0.000	0.000
408	A	415	ILE	0	-0.020	-0.001	14.990	-1.632	-1.632	0.000	0.000	0.000	0.000
409	A	416	MET	0	-0.054	-0.009	18.802	-0.480	-0.480	0.000	0.000	0.000	0.000
410	A	417	GLN	0	-0.046	-0.015	21.137	-4.155	-4.155	0.000	0.000	0.000	0.000
411	A	418	GLY	0	-0.014	0.013	22.704	-2.324	-2.324	0.000	0.000	0.000	0.000
412	A	419	ILE	0	-0.055	-0.034	23.472	-0.114	-0.114	0.000	0.000	0.000	0.000
413	A	420	PRO	0	0.042	0.024	21.867	2.290	2.290	0.000	0.000	0.000	0.000
414	A	421	LEU	0	0.079	0.033	15.716	-1.257	-1.257	0.000	0.000	0.000	0.000
415	A	422	ASP	-1	-0.827	-0.909	19.570	56.538	56.538	0.000	0.000	0.000	0.000
416	A	423	GLU	-1	-0.879	-0.943	21.649	42.126	42.126	0.000	0.000	0.000	0.000
417	A	424	TYR	0	0.055	0.019	20.196	-2.335	-2.335	0.000	0.000	0.000	0.000
418	A	425	ALA	0	0.040	0.007	19.818	-0.753	-0.753	0.000	0.000	0.000	0.000
419	A	426	LYS	1	0.794	0.916	21.407	-44.163	-44.163	0.000	0.000	0.000	0.000
420	A	427	THR	0	-0.047	-0.018	24.277	-1.711	-1.711	0.000	0.000	0.000	0.000
421	A	428	HIS	1	0.785	0.888	20.673	-50.710	-50.710	0.000	0.000	0.000	0.000
422	A	429	LYS	1	1.004	1.014	20.713	-48.527	-48.527	0.000	0.000	0.000	0.000
423	A	430	GLU	-1	-0.790	-0.868	16.525	55.250	55.250	0.000	0.000	0.000	0.000
424	A	431	LEU	0	0.049	0.030	15.640	2.974	2.974	0.000	0.000	0.000	0.000
425	A	432	ALA	0	-0.027	-0.016	16.636	1.997	1.997	0.000	0.000	0.000	0.000
426	A	433	ARG	1	0.864	0.942	16.395	-55.808	-55.808	0.000	0.000	0.000	0.000
427	A	434	ALA	0	0.031	0.017	12.618	1.585	1.585	0.000	0.000	0.000	0.000
428	A	435	LEU	0	-0.025	-0.021	14.159	2.518	2.518	0.000	0.000	0.000	0.000
429	A	436	GLU	-1	-0.970	-0.957	16.030	55.264	55.264	0.000	0.000	0.000	0.000
430	A	437	LYS	1	0.802	0.919	10.411	-88.283	-88.283	0.000	0.000	0.000	0.000
431	A	438	TRP	0	-0.001	-0.003	8.756	0.760	0.760	0.000	0.000	0.000	0.000
432	A	439	GLY	0	0.039	0.005	12.835	-0.309	-0.309	0.000	0.000	0.000	0.000
433	A	440	HIS	1	0.768	0.839	13.781	-66.840	-66.840	0.000	0.000	0.000	0.000
434	A	441	VAL	0	-0.021	0.016	10.859	0.161	0.161	0.000	0.000	0.000	0.000
435	A	442	THR	0	0.030	0.019	10.187	3.279	3.279	0.000	0.000	0.000	0.000
436	A	443	PRO	0	-0.045	-0.007	6.250	-6.144	-6.144	0.000	0.000	0.000	0.000
437	A	444	VAL	0	0.029	0.022	8.742	1.203	1.203	0.000	0.000	0.000	0.000
438	H	7	THR	0	-0.002	-0.022	12.627	0.762	0.762	0.000	0.000	0.000	0.000
439	H	8	ILE	0	0.002	-0.004	8.348	-5.518	-5.518	0.000	0.000	0.000	0.000
440	H	9	TYR	0	-0.027	-0.022	6.569	-3.805	-3.805	0.000	0.000	0.000	0.000
441	H	10	ASP	-1	-0.905	-0.952	12.539	65.356	65.356	0.000	0.000	0.000	0.000
442	H	11	TYR	0	-0.054	-0.024	14.599	-4.243	-4.243	0.000	0.000	0.000	0.000
443	H	12	TYR	0	-0.032	-0.002	11.152	0.105	0.105	0.000	0.000	0.000	0.000
444	H	13	VAL	0	-0.051	-0.018	16.228	-1.330	-1.330	0.000	0.000	0.000	0.000
445	H	14	ASP	-1	-0.840	-0.937	19.443	47.546	47.546	0.000	0.000	0.000	0.000
446	H	15	LYS	1	0.798	0.883	22.626	-48.970	-48.970	0.000	0.000	0.000	0.000
447	H	16	GLY	0	-0.037	-0.001	25.703	-1.540	-1.540	0.000	0.000	0.000	0.000
448	H	17	TYR	0	-0.091	-0.054	24.518	-1.136	-1.136	0.000	0.000	0.000	0.000
449	H	18	GLU	-1	-0.919	-0.967	26.489	40.009	40.009	0.000	0.000	0.000	0.000
450	H	19	PRO	0	-0.024	0.000	25.731	0.176	0.176	0.000	0.000	0.000	0.000
451	H	20	SER	0	-0.005	-0.020	27.154	-2.366	-2.366	0.000	0.000	0.000	0.000
452	H	21	LYS	1	1.015	0.983	27.615	-35.674	-35.674	0.000	0.000	0.000	0.000
453	H	22	LYS	1	0.820	0.909	29.269	-37.024	-37.024	0.000	0.000	0.000	0.000
454	H	23	ARG	1	0.925	0.950	26.241	-40.464	-40.464	0.000	0.000	0.000	0.000
455	H	24	ASP	-1	-0.740	-0.815	23.418	50.250	50.250	0.000	0.000	0.000	0.000
456	H	25	ILE	0	-0.007	-0.002	19.041	-1.793	-1.793	0.000	0.000	0.000	0.000
457	H	26	ILE	0	-0.029	-0.007	21.052	1.483	1.483	0.000	0.000	0.000	0.000
458	H	27	ALA	0	0.016	0.026	17.364	-0.711	-0.711	0.000	0.000	0.000	0.000
459	H	28	VAL	0	-0.019	-0.003	19.352	0.386	0.386	0.000	0.000	0.000	0.000
460	H	29	PHE	0	0.035	0.004	14.067	1.105	1.105	0.000	0.000	0.000	0.000
461	H	30	ARG	1	0.914	0.966	19.080	-50.729	-50.729	0.000	0.000	0.000	0.000
462	H	31	VAL	0	-0.028	-0.024	16.653	3.018	3.018	0.000	0.000	0.000	0.000
463	H	32	THR	0	0.040	0.017	17.808	-4.526	-4.526	0.000	0.000	0.000	0.000
464	H	33	PRO	0	0.005	0.012	17.260	4.492	4.492	0.000	0.000	0.000	0.000
465	H	34	ALA	0	-0.014	0.003	15.439	-2.375	-2.375	0.000	0.000	0.000	0.000
466	H	35	GLU	-1	-0.911	-0.971	17.548	51.015	51.015	0.000	0.000	0.000	0.000
467	H	36	GLY	0	-0.042	-0.020	19.751	1.633	1.633	0.000	0.000	0.000	0.000
468	H	37	TYR	0	-0.045	-0.023	14.159	3.517	3.517	0.000	0.000	0.000	0.000
469	H	38	THR	0	0.027	0.009	19.230	-0.644	-0.644	0.000	0.000	0.000	0.000
470	H	39	ILE	0	0.070	0.035	19.226	3.552	3.552	0.000	0.000	0.000	0.000
471	H	40	GLU	-1	-0.804	-0.895	19.123	54.725	54.725	0.000	0.000	0.000	0.000
472	H	41	GLN	0	0.023	0.016	16.115	2.494	2.494	0.000	0.000	0.000	0.000
473	H	42	ALA	0	-0.007	0.005	14.846	5.516	5.516	0.000	0.000	0.000	0.000
474	H	43	ALA	0	0.015	-0.001	14.645	4.770	4.770	0.000	0.000	0.000	0.000
475	H	44	GLY	0	0.037	0.021	15.361	1.898	1.898	0.000	0.000	0.000	0.000
476	H	45	ALA	0	-0.012	-0.019	10.793	4.219	4.219	0.000	0.000	0.000	0.000
477	H	46	VAL	0	-0.002	-0.003	10.730	7.866	7.866	0.000	0.000	0.000	0.000
478	H	47	ALA	0	0.033	0.029	11.639	3.480	3.480	0.000	0.000	0.000	0.000
479	H	48	ALA	0	-0.012	0.004	10.108	0.986	0.986	0.000	0.000	0.000	0.000
480	H	49	GLU	-1	-0.825	-0.920	5.884	171.328	171.328	0.000	0.000	0.000	0.000
481	H	50	SER	0	-0.073	-0.019	7.720	3.950	3.950	0.000	0.000	0.000	0.000
482	H	51	SER	0	0.006	-0.002	10.317	-6.447	-6.447	0.000	0.000	0.000	0.000
483	H	52	THR	0	0.016	-0.008	10.165	4.584	4.584	0.000	0.000	0.000	0.000
484	H	53	GLY	0	-0.018	0.000	8.424	1.446	1.446	0.000	0.000	0.000	0.000
488	H	57	THR	0	-0.018	-0.012	7.557	0.929	0.929	0.000	0.000	0.000	0.000
489	H	58	LEU	0	0.038	0.003	5.837	5.416	5.416	0.000	0.000	0.000	0.000
490	H	59	TYR	0	-0.013	0.002	9.731	-7.695	-7.695	0.000	0.000	0.000	0.000
491	H	60	PRO	0	0.006	0.000	12.424	2.447	2.447	0.000	0.000	0.000	0.000
492	H	61	TRP	0	-0.071	-0.040	9.855	-6.568	-6.568	0.000	0.000	0.000	0.000
493	H	62	TYR	0	0.012	0.015	11.920	0.889	0.889	0.000	0.000	0.000	0.000
494	H	63	GLU	-1	-0.954	-0.976	15.832	49.154	49.154	0.000	0.000	0.000	0.000
495	H	64	GLN	0	-0.015	-0.016	15.538	2.233	2.233	0.000	0.000	0.000	0.000
496	H	65	GLU	-1	-0.958	-0.988	17.971	49.910	49.910	0.000	0.000	0.000	0.000
497	H	66	ARG	1	0.892	0.931	17.121	-58.815	-58.815	0.000	0.000	0.000	0.000
498	H	67	TRP	0	-0.032	-0.021	11.290	-1.367	-1.367	0.000	0.000	0.000	0.000
499	H	68	ALA	0	-0.011	-0.009	15.784	1.741	1.741	0.000	0.000	0.000	0.000
500	H	69	ASP	-1	-0.909	-0.924	17.880	51.456	51.456	0.000	0.000	0.000	0.000
501	H	70	LEU	0	-0.027	-0.011	16.140	-0.439	-0.439	0.000	0.000	0.000	0.000
502	H	71	SER	0	-0.024	0.012	14.188	3.611	3.611	0.000	0.000	0.000	0.000
503	H	72	ALA	0	-0.028	0.000	15.300	-3.576	-3.576	0.000	0.000	0.000	0.000
504	H	73	LYS	1	0.911	0.959	17.076	-53.995	-53.995	0.000	0.000	0.000	0.000
505	H	74	ALA	0	0.004	0.012	18.363	-1.130	-1.130	0.000	0.000	0.000	0.000
506	H	75	TYR	0	0.033	-0.003	20.162	-1.482	-1.482	0.000	0.000	0.000	0.000
507	H	76	ASP	-1	-0.932	-0.963	23.535	42.639	42.639	0.000	0.000	0.000	0.000
508	H	77	PHE	0	-0.046	-0.031	21.044	2.720	2.720	0.000	0.000	0.000	0.000
509	H	78	HIS	0	0.047	0.023	25.373	-2.836	-2.836	0.000	0.000	0.000	0.000
510	H	79	ASP	-1	-0.905	-0.955	26.473	44.969	44.969	0.000	0.000	0.000	0.000
511	H	80	MET	0	-0.035	-0.004	25.830	-1.548	-1.548	0.000	0.000	0.000	0.000
512	H	81	GLY	0	0.011	0.014	28.496	-1.546	-1.546	0.000	0.000	0.000	0.000
513	H	82	ASP	-1	-0.849	-0.905	25.828	46.033	46.033	0.000	0.000	0.000	0.000
514	H	83	GLY	0	-0.011	-0.006	24.847	0.874	0.874	0.000	0.000	0.000	0.000
515	H	84	SER	0	-0.108	-0.073	22.155	2.838	2.838	0.000	0.000	0.000	0.000
516	H	85	TRP	0	0.041	-0.001	22.297	-2.320	-2.320	0.000	0.000	0.000	0.000
517	H	86	ILE	0	-0.019	-0.007	22.169	2.780	2.780	0.000	0.000	0.000	0.000
518	H	87	VAL	0	0.003	-0.014	19.330	-0.919	-0.919	0.000	0.000	0.000	0.000
519	H	88	ARG	1	0.917	0.980	20.554	-42.742	-42.742	0.000	0.000	0.000	0.000
520	H	89	ILE	0	0.009	-0.011	16.068	-0.089	-0.089	0.000	0.000	0.000	0.000
521	H	90	ALA	0	-0.035	-0.011	19.698	-0.473	-0.473	0.000	0.000	0.000	0.000
522	H	91	TYR	0	0.012	-0.030	13.944	1.094	1.094	0.000	0.000	0.000	0.000
523	H	92	PRO	0	0.057	0.064	18.263	-2.860	-2.860	0.000	0.000	0.000	0.000
524	H	93	PHE	0	0.057	-0.010	19.609	1.274	1.274	0.000	0.000	0.000	0.000
525	H	94	HIS	0	-0.118	-0.060	20.378	0.633	0.633	0.000	0.000	0.000	0.000
526	H	95	ALA	0	0.041	0.018	15.848	0.416	0.416	0.000	0.000	0.000	0.000
527	H	96	PHE	0	-0.039	-0.022	13.831	4.027	4.027	0.000	0.000	0.000	0.000
528	H	97	GLU	-1	-0.769	-0.884	16.412	56.998	56.998	0.000	0.000	0.000	0.000
529	H	98	GLU	-1	-0.955	-0.985	18.339	45.321	45.321	0.000	0.000	0.000	0.000
530	H	99	ALA	0	-0.006	-0.007	21.250	0.296	0.296	0.000	0.000	0.000	0.000
531	H	100	ASN	0	0.083	0.053	15.092	0.657	0.657	0.000	0.000	0.000	0.000
532	H	101	LEU	0	-0.012	0.000	16.826	2.732	2.732	0.000	0.000	0.000	0.000
533	H	102	PRO	0	0.046	0.011	14.890	3.712	3.712	0.000	0.000	0.000	0.000
534	H	103	GLY	0	0.071	0.024	12.386	5.496	5.496	0.000	0.000	0.000	0.000
535	H	104	LEU	0	-0.044	-0.011	12.269	4.083	4.083	0.000	0.000	0.000	0.000
536	H	105	LEU	0	-0.045	-0.044	13.184	3.117	3.117	0.000	0.000	0.000	0.000
537	H	106	ALA	0	0.037	0.021	8.425	4.487	4.487	0.000	0.000	0.000	0.000
538	H	107	SER	0	-0.044	-0.024	8.213	10.960	10.960	0.000	0.000	0.000	0.000
539	H	108	ILE	0	-0.056	-0.030	10.296	3.706	3.706	0.000	0.000	0.000	0.000
540	H	109	ALA	0	-0.007	-0.012	11.083	-2.983	-2.983	0.000	0.000	0.000	0.000
541	H	110	GLY	0	0.109	0.055	7.160	-0.064	-0.064	0.000	0.000	0.000	0.000
544	H	113	PHE	0	-0.007	0.004	8.473	-2.270	-2.270	0.000	0.000	0.000	0.000
545	H	114	GLY	0	0.006	-0.006	5.904	-7.545	-7.545	0.000	0.000	0.000	0.000
546	H	115	MET	0	-0.027	0.021	6.578	8.203	8.203	0.000	0.000	0.000	0.000
547	H	116	LYS	1	0.874	0.942	8.535	-120.584	-120.584	0.000	0.000	0.000	0.000
548	H	117	ARG	1	0.867	0.942	10.614	-93.131	-93.131	0.000	0.000	0.000	0.000
549	H	118	VAL	0	-0.047	-0.008	11.644	-6.165	-6.165	0.000	0.000	0.000	0.000
550	H	119	LYS	1	0.940	0.963	13.079	-53.830	-53.830	0.000	0.000	0.000	0.000
551	H	120	GLY	0	-0.018	-0.007	14.615	-0.332	-0.332	0.000	0.000	0.000	0.000
552	H	121	LEU	0	-0.005	-0.004	12.368	-1.066	-1.066	0.000	0.000	0.000	0.000
553	H	122	ARG	1	0.897	0.973	14.932	-51.086	-51.086	0.000	0.000	0.000	0.000
554	H	123	LEU	0	-0.023	0.003	15.249	-1.820	-1.820	0.000	0.000	0.000	0.000
555	H	124	GLU	-1	-0.873	-0.969	17.655	50.329	50.329	0.000	0.000	0.000	0.000
556	H	125	ASP	-1	-0.835	-0.941	20.898	45.359	45.359	0.000	0.000	0.000	0.000
557	H	126	LEU	0	-0.019	0.004	17.867	2.567	2.567	0.000	0.000	0.000	0.000
558	H	127	TYR	0	-0.062	-0.023	21.274	-2.715	-2.715	0.000	0.000	0.000	0.000
559	H	128	PHE	0	0.053	0.011	19.908	1.537	1.537	0.000	0.000	0.000	0.000
560	H	129	PRO	0	0.049	0.030	24.080	-2.288	-2.288	0.000	0.000	0.000	0.000
561	H	130	GLU	-1	-0.887	-0.950	27.130	35.424	35.424	0.000	0.000	0.000	0.000
562	H	131	LYS	1	0.864	0.944	25.336	-44.899	-44.899	0.000	0.000	0.000	0.000
563	H	132	LEU	0	0.114	0.054	20.816	-0.416	-0.416	0.000	0.000	0.000	0.000
564	H	133	ILE	0	-0.051	-0.006	25.231	-0.286	-0.286	0.000	0.000	0.000	0.000
565	H	134	ARG	1	0.811	0.876	27.880	-35.624	-35.624	0.000	0.000	0.000	0.000
566	H	135	GLU	-1	-0.871	-0.912	23.203	47.646	47.646	0.000	0.000	0.000	0.000
567	H	136	PHE	0	-0.052	-0.027	21.880	1.302	1.302	0.000	0.000	0.000	0.000
568	H	137	ASP	-1	-0.871	-0.931	27.711	36.768	36.768	0.000	0.000	0.000	0.000
569	H	138	GLY	0	-0.039	-0.017	29.526	-1.226	-1.226	0.000	0.000	0.000	0.000
570	H	139	PRO	0	-0.066	-0.025	30.938	-0.428	-0.428	0.000	0.000	0.000	0.000
571	H	140	ALA	0	0.046	0.031	33.204	-0.684	-0.684	0.000	0.000	0.000	0.000
572	H	141	PHE	0	-0.078	-0.032	35.874	-1.311	-1.311	0.000	0.000	0.000	0.000
573	H	142	GLY	0	-0.011	-0.020	36.016	-0.587	-0.587	0.000	0.000	0.000	0.000
574	H	143	ILE	0	-0.020	-0.018	36.947	-0.644	-0.644	0.000	0.000	0.000	0.000
575	H	144	GLU	-1	-0.947	-0.979	39.479	26.372	26.372	0.000	0.000	0.000	0.000
576	H	145	GLY	0	-0.008	-0.012	40.703	-0.705	-0.705	0.000	0.000	0.000	0.000
577	H	146	VAL	0	0.042	0.017	38.472	-0.417	-0.417	0.000	0.000	0.000	0.000
578	H	147	ARG	1	0.779	0.870	41.704	-27.681	-27.681	0.000	0.000	0.000	0.000
579	H	148	LYS	1	0.885	0.958	44.790	-27.255	-27.255	0.000	0.000	0.000	0.000
580	H	149	MET	0	-0.010	0.017	41.479	-0.442	-0.442	0.000	0.000	0.000	0.000
581	H	150	LEU	0	-0.011	-0.024	42.372	-0.451	-0.451	0.000	0.000	0.000	0.000
582	H	151	GLU	-1	-0.940	-0.973	46.342	22.955	22.955	0.000	0.000	0.000	0.000
583	H	152	ILE	0	-0.084	-0.029	45.713	-0.528	-0.528	0.000	0.000	0.000	0.000
584	H	153	LYS	1	0.897	0.953	47.086	-23.256	-23.256	0.000	0.000	0.000	0.000
585	H	154	ASP	-1	-0.833	-0.917	47.691	24.504	24.504	0.000	0.000	0.000	0.000
586	H	155	ARG	1	0.773	0.847	46.880	-24.736	-24.736	0.000	0.000	0.000	0.000
587	H	156	PRO	0	0.043	0.031	42.760	0.172	0.172	0.000	0.000	0.000	0.000
588	H	157	ILE	0	-0.028	0.002	41.097	-0.579	-0.579	0.000	0.000	0.000	0.000
589	H	158	TYR	0	-0.004	-0.036	41.947	0.245	0.245	0.000	0.000	0.000	0.000
590	H	159	GLY	0	0.050	-0.049	41.446	-0.456	-0.456	0.000	0.000	0.000	0.000
591	H	160	VAL	0	-0.070	-0.039	40.987	0.099	0.099	0.000	0.000	0.000	0.000
592	H	161	VAL	0	0.050	0.019	35.454	-0.124	-0.124	0.000	0.000	0.000	0.000
593	H	162	PRO	0	-0.049	-0.023	38.682	-0.345	-0.345	0.000	0.000	0.000	0.000
594	H	163	LYS	1	0.880	0.905	34.910	-31.967	-31.967	0.000	0.000	0.000	0.000
595	H	164	PRO	0	0.017	-0.013	38.606	-0.828	-0.828	0.000	0.000	0.000	0.000
596	H	165	LYS	1	0.746	0.929	31.180	-36.026	-36.026	0.000	0.000	0.000	0.000
597	H	166	VAL	0	0.026	0.015	33.344	-0.033	-0.033	0.000	0.000	0.000	0.000
598	H	167	GLY	0	0.042	0.010	36.423	-0.198	-0.198	0.000	0.000	0.000	0.000
599	H	168	TYR	0	-0.050	-0.006	37.990	-0.949	-0.949	0.000	0.000	0.000	0.000
600	H	169	SER	0	0.055	0.029	40.850	0.589	0.589	0.000	0.000	0.000	0.000
601	H	170	PRO	0	0.066	0.030	41.848	-0.136	-0.136	0.000	0.000	0.000	0.000
602	H	171	GLU	-1	-0.851	-0.940	43.925	25.201	25.201	0.000	0.000	0.000	0.000
603	H	172	GLU	-1	-0.838	-0.921	45.185	25.527	25.527	0.000	0.000	0.000	0.000
604	H	173	PHE	0	-0.044	-0.040	41.328	-0.163	-0.163	0.000	0.000	0.000	0.000
605	H	174	GLU	-1	-0.867	-0.936	44.809	23.643	23.643	0.000	0.000	0.000	0.000
606	H	175	LYS	1	0.943	0.972	47.545	-22.602	-22.602	0.000	0.000	0.000	0.000
607	H	176	LEU	0	-0.018	-0.002	43.987	-0.250	-0.250	0.000	0.000	0.000	0.000
608	H	177	ALA	0	0.038	0.012	45.079	-0.136	-0.136	0.000	0.000	0.000	0.000
609	H	178	TYR	0	-0.015	-0.028	46.678	-0.247	-0.247	0.000	0.000	0.000	0.000
610	H	179	ASP	-1	-0.912	-0.912	50.288	22.456	22.456	0.000	0.000	0.000	0.000
611	H	180	LEU	0	-0.028	-0.036	44.888	-0.287	-0.287	0.000	0.000	0.000	0.000
612	H	181	LEU	0	0.002	0.015	44.931	-0.227	-0.227	0.000	0.000	0.000	0.000
613	H	182	SER	0	-0.030	-0.065	48.758	-0.301	-0.301	0.000	0.000	0.000	0.000
614	H	183	ASN	0	-0.164	-0.083	51.371	-0.788	-0.788	0.000	0.000	0.000	0.000
615	H	184	GLY	0	0.024	-0.035	50.457	0.153	0.153	0.000	0.000	0.000	0.000
616	H	185	ALA	0	0.018	0.011	45.408	0.243	0.243	0.000	0.000	0.000	0.000
617	H	186	ASP	-1	-0.726	-0.830	44.110	25.498	25.498	0.000	0.000	0.000	0.000
618	H	187	TYR	0	0.005	0.083	38.544	0.190	0.190	0.000	0.000	0.000	0.000
619	H	188	MET	0	-0.015	0.019	41.381	-0.309	-0.309	0.000	0.000	0.000	0.000
620	H	189	KCX	-1	-0.593	-0.892	32.817	35.251	35.251	0.000	0.000	0.000	0.000
621	H	190	ASP	-1	-0.714	-0.854	34.320	31.379	31.379	0.000	0.000	0.000	0.000
622	H	191	ASP	0	0.250	0.062	33.527	0.648	0.648	0.000	0.000	0.000	0.000
623	H	192	GLU	0	0.139	-0.077	27.884	-0.108	-0.108	0.000	0.000	0.000	0.000
624	H	500	merge:H:AS	-1	-1.604	-0.992	27.698	36.349	36.349	0.000	0.000	0.000	0.000
625	H	193	ASN	0	-0.015	0.015	28.530	0.410	0.410	0.000	0.000	0.000	0.000
626	H	194	LEU	0	-0.096	-0.037	29.635	-0.173	-0.173	0.000	0.000	0.000	0.000
627	H	195	THR	0	0.012	0.022	28.350	-0.318	-0.318	0.000	0.000	0.000	0.000
628	H	196	SER	0	0.063	0.048	31.707	-1.474	-1.474	0.000	0.000	0.000	0.000
629	H	197	PRO	0	0.019	0.025	33.519	0.028	0.028	0.000	0.000	0.000	0.000
630	H	198	TRP	0	-0.027	-0.024	34.805	-1.131	-1.131	0.000	0.000	0.000	0.000
631	H	199	TYR	0	-0.076	-0.045	33.985	-0.882	-0.882	0.000	0.000	0.000	0.000
632	H	200	ASN	0	-0.021	-0.052	37.595	-0.667	-0.667	0.000	0.000	0.000	0.000
633	H	201	ARG	1	0.965	1.009	35.259	-30.385	-30.385	0.000	0.000	0.000	0.000
634	H	202	PHE	0	0.049	0.006	34.247	-0.496	-0.496	0.000	0.000	0.000	0.000
635	H	203	GLU	-1	-0.826	-0.936	36.664	31.145	31.145	0.000	0.000	0.000	0.000
636	H	204	GLU	-1	-0.893	-0.947	39.863	27.070	27.070	0.000	0.000	0.000	0.000
637	H	205	ARG	1	0.772	0.858	34.595	-32.480	-32.480	0.000	0.000	0.000	0.000
638	H	206	ALA	0	0.035	0.013	39.579	-0.312	-0.312	0.000	0.000	0.000	0.000
639	H	207	GLU	-1	-0.921	-0.960	41.479	25.675	25.675	0.000	0.000	0.000	0.000
640	H	208	ILE	0	-0.077	-0.029	44.763	-0.642	-0.642	0.000	0.000	0.000	0.000
641	H	209	MET	0	-0.025	-0.012	41.936	-0.715	-0.715	0.000	0.000	0.000	0.000
642	H	210	ALA	0	0.061	0.035	44.847	-0.402	-0.402	0.000	0.000	0.000	0.000
643	H	211	LYS	1	0.918	0.980	46.216	-23.968	-23.968	0.000	0.000	0.000	0.000
644	H	212	ILE	0	-0.116	-0.062	46.897	-0.609	-0.609	0.000	0.000	0.000	0.000
645	H	213	ILE	0	-0.016	-0.014	43.991	-0.365	-0.365	0.000	0.000	0.000	0.000
646	H	214	ASP	-1	-0.847	-0.909	48.581	23.699	23.699	0.000	0.000	0.000	0.000
647	H	215	LYS	1	0.775	0.896	51.529	-22.026	-22.026	0.000	0.000	0.000	0.000
648	H	216	VAL	0	0.029	0.005	50.551	-0.419	-0.419	0.000	0.000	0.000	0.000
649	H	217	GLU	-1	-0.788	-0.862	48.462	24.359	24.359	0.000	0.000	0.000	0.000
650	H	218	ASN	0	-0.091	-0.035	52.802	-0.525	-0.525	0.000	0.000	0.000	0.000
651	H	219	GLU	-1	-0.870	-0.922	55.839	20.818	20.818	0.000	0.000	0.000	0.000
652	H	220	THR	0	-0.088	-0.055	53.784	-0.125	-0.125	0.000	0.000	0.000	0.000
653	H	221	GLY	0	-0.054	-0.012	55.953	-0.171	-0.171	0.000	0.000	0.000	0.000
654	H	222	GLU	-1	-0.984	-0.990	51.576	23.143	23.143	0.000	0.000	0.000	0.000
655	H	223	LYS	1	0.907	0.966	47.981	-23.720	-23.720	0.000	0.000	0.000	0.000
656	H	224	LYS	1	0.822	0.901	46.498	-24.258	-24.258	0.000	0.000	0.000	0.000
657	H	225	THR	0	-0.032	-0.055	40.735	0.099	0.099	0.000	0.000	0.000	0.000
658	H	226	TRP	0	-0.020	-0.028	38.145	-0.575	-0.575	0.000	0.000	0.000	0.000
659	H	227	PHE	0	-0.043	-0.019	35.057	0.292	0.292	0.000	0.000	0.000	0.000
660	H	228	ALA	0	0.076	0.053	35.596	0.255	0.255	0.000	0.000	0.000	0.000
661	H	229	ASN	0	0.021	0.034	29.024	1.490	1.490	0.000	0.000	0.000	0.000
662	H	230	ILE	0	-0.003	0.006	29.020	-0.213	-0.213	0.000	0.000	0.000	0.000
663	H	231	THR	0	-0.045	-0.052	24.845	1.212	1.212	0.000	0.000	0.000	0.000
664	H	232	ALA	0	-0.026	-0.035	25.666	-0.934	-0.934	0.000	0.000	0.000	0.000
665	H	233	ASP	-1	-0.897	-0.938	22.880	47.924	47.924	0.000	0.000	0.000	0.000
666	H	234	LEU	0	0.017	-0.001	23.644	-1.038	-1.038	0.000	0.000	0.000	0.000
667	H	235	LEU	0	0.033	0.018	25.362	-1.121	-1.121	0.000	0.000	0.000	0.000
668	H	236	GLU	-1	-0.866	-0.934	28.191	38.341	38.341	0.000	0.000	0.000	0.000
669	H	237	MET	0	-0.108	-0.043	24.054	-1.018	-1.018	0.000	0.000	0.000	0.000
670	H	238	GLU	-1	-0.808	-0.869	28.927	38.502	38.502	0.000	0.000	0.000	0.000
671	H	239	GLN	0	0.005	0.003	31.214	-1.249	-1.249	0.000	0.000	0.000	0.000
672	H	240	ARG	1	0.824	0.892	30.823	-37.233	-37.233	0.000	0.000	0.000	0.000
673	H	241	LEU	0	-0.021	-0.022	30.477	-0.753	-0.753	0.000	0.000	0.000	0.000
674	H	242	GLU	-1	-0.940	-0.956	34.444	30.257	30.257	0.000	0.000	0.000	0.000
675	H	243	VAL	0	0.002	0.002	37.250	-0.926	-0.926	0.000	0.000	0.000	0.000
676	H	244	LEU	0	-0.071	-0.045	35.421	-0.803	-0.803	0.000	0.000	0.000	0.000
677	H	245	ALA	0	0.008	0.012	38.892	-0.728	-0.728	0.000	0.000	0.000	0.000
678	H	246	ASP	-1	-0.920	-0.951	40.561	27.686	27.686	0.000	0.000	0.000	0.000
679	H	247	LEU	0	-0.103	-0.051	42.258	-0.818	-0.818	0.000	0.000	0.000	0.000
680	H	248	GLY	0	-0.037	-0.002	43.592	-0.563	-0.563	0.000	0.000	0.000	0.000
681	H	249	LEU	0	-0.084	-0.031	40.572	-0.281	-0.281	0.000	0.000	0.000	0.000
682	H	250	LYS	1	0.879	0.914	41.062	-25.890	-25.890	0.000	0.000	0.000	0.000
683	H	251	HIS	0	0.013	0.020	36.349	-0.114	-0.114	0.000	0.000	0.000	0.000
684	H	252	ALA	0	0.068	0.053	32.976	-0.252	-0.252	0.000	0.000	0.000	0.000
685	H	253	MET	0	-0.079	-0.016	30.125	0.147	0.147	0.000	0.000	0.000	0.000
686	H	254	VAL	0	0.044	0.019	25.548	0.311	0.311	0.000	0.000	0.000	0.000
687	H	255	ASP	-1	-0.801	-0.908	24.190	41.964	41.964	0.000	0.000	0.000	0.000
688	H	256	VAL	0	-0.032	-0.017	23.132	1.879	1.879	0.000	0.000	0.000	0.000
689	H	257	VAL	0	-0.064	-0.026	18.422	1.814	1.814	0.000	0.000	0.000	0.000
690	H	258	ILE	0	-0.039	0.002	18.437	2.988	2.988	0.000	0.000	0.000	0.000
691	H	259	THR	0	0.009	-0.002	19.026	1.290	1.290	0.000	0.000	0.000	0.000
692	H	260	GLY	0	0.023	0.002	17.437	1.668	1.668	0.000	0.000	0.000	0.000
693	H	261	TRP	0	-0.034	-0.037	15.010	-4.348	-4.348	0.000	0.000	0.000	0.000
694	H	262	GLY	0	0.003	0.008	17.230	-1.333	-1.333	0.000	0.000	0.000	0.000
695	H	263	ALA	0	0.045	0.018	18.240	-1.408	-1.408	0.000	0.000	0.000	0.000
696	H	264	LEU	0	-0.023	-0.001	21.294	-2.250	-2.250	0.000	0.000	0.000	0.000
697	H	265	ARG	1	0.934	0.956	22.940	-46.480	-46.480	0.000	0.000	0.000	0.000
698	H	266	TYR	0	-0.013	-0.046	24.530	-1.263	-1.263	0.000	0.000	0.000	0.000
699	H	267	ILE	0	0.040	0.024	25.488	-1.495	-1.495	0.000	0.000	0.000	0.000
700	H	268	ARG	1	0.819	0.897	27.332	-39.429	-39.429	0.000	0.000	0.000	0.000
701	H	269	ASP	-1	-0.870	-0.947	28.398	38.916	38.916	0.000	0.000	0.000	0.000
702	H	270	LEU	0	0.026	0.040	30.329	-1.195	-1.195	0.000	0.000	0.000	0.000
703	H	271	ALA	0	-0.010	-0.019	31.727	-1.197	-1.197	0.000	0.000	0.000	0.000
704	H	272	ALA	0	-0.071	-0.039	33.214	-1.231	-1.231	0.000	0.000	0.000	0.000
705	H	273	ASP	-1	-0.932	-0.959	34.454	33.064	33.064	0.000	0.000	0.000	0.000
706	H	274	TYR	0	-0.042	-0.024	34.681	-0.845	-0.845	0.000	0.000	0.000	0.000
707	H	275	GLY	0	-0.064	-0.016	38.006	-0.885	-0.885	0.000	0.000	0.000	0.000
708	H	276	LEU	0	-0.053	-0.025	35.902	-0.553	-0.553	0.000	0.000	0.000	0.000
709	H	277	ALA	0	-0.051	-0.019	35.639	0.830	0.830	0.000	0.000	0.000	0.000
710	H	278	ILE	0	0.024	-0.004	29.581	0.158	0.158	0.000	0.000	0.000	0.000
711	H	279	HIS	0	-0.042	-0.039	32.066	0.417	0.417	0.000	0.000	0.000	0.000
712	H	280	GLY	0	0.051	0.019	28.369	0.645	0.645	0.000	0.000	0.000	0.000
713	H	281	HIS	0	0.144	0.076	26.764	-1.318	-1.318	0.000	0.000	0.000	0.000
714	H	282	ARG	1	0.885	0.919	23.894	-40.708	-40.708	0.000	0.000	0.000	0.000
715	H	283	ALA	0	0.041	0.016	23.166	1.424	1.424	0.000	0.000	0.000	0.000
716	H	284	MET	0	0.057	0.023	17.674	2.407	2.407	0.000	0.000	0.000	0.000
717	H	285	HIS	0	-0.025	-0.004	19.191	1.137	1.137	0.000	0.000	0.000	0.000
718	H	286	ALA	0	-0.018	0.004	19.483	2.123	2.123	0.000	0.000	0.000	0.000
719	H	287	ALA	0	0.003	0.013	16.813	0.403	0.403	0.000	0.000	0.000	0.000
720	H	288	PHE	0	-0.013	-0.028	15.062	3.101	3.101	0.000	0.000	0.000	0.000
721	H	289	THR	0	0.065	0.058	17.037	0.031	0.031	0.000	0.000	0.000	0.000
722	H	290	ARG	1	0.748	0.902	20.345	-45.602	-45.602	0.000	0.000	0.000	0.000
723	H	291	ASN	0	0.050	0.014	17.999	-3.404	-3.404	0.000	0.000	0.000	0.000
724	H	292	PRO	0	0.023	0.008	19.932	2.181	2.181	0.000	0.000	0.000	0.000
725	H	293	TYR	0	-0.046	-0.026	19.471	-0.398	-0.398	0.000	0.000	0.000	0.000
726	H	294	HIS	0	-0.098	-0.070	11.306	-0.514	-0.514	0.000	0.000	0.000	0.000
727	H	295	GLY	0	0.023	0.039	14.400	-2.478	-2.478	0.000	0.000	0.000	0.000
728	H	296	ILE	0	0.002	-0.010	13.523	0.367	0.367	0.000	0.000	0.000	0.000
729	H	297	SER	0	0.049	0.033	17.296	-2.730	-2.730	0.000	0.000	0.000	0.000
730	H	298	MET	0	0.020	0.006	21.091	1.260	1.260	0.000	0.000	0.000	0.000
731	H	299	PHE	0	-0.019	-0.018	23.327	-1.027	-1.027	0.000	0.000	0.000	0.000
732	H	300	VAL	0	0.025	0.016	18.657	-1.010	-1.010	0.000	0.000	0.000	0.000
733	H	301	LEU	0	-0.005	-0.007	18.637	-0.481	-0.481	0.000	0.000	0.000	0.000
734	H	302	ALA	0	0.019	0.016	22.327	-1.005	-1.005	0.000	0.000	0.000	0.000
735	H	303	LYS	1	0.838	0.914	23.892	-47.636	-47.636	0.000	0.000	0.000	0.000
736	H	304	LEU	0	-0.008	-0.008	18.796	-1.027	-1.027	0.000	0.000	0.000	0.000
737	H	305	TYR	0	0.060	0.016	20.278	-0.744	-0.744	0.000	0.000	0.000	0.000
738	H	306	ARG	1	0.815	0.910	25.305	-37.954	-37.954	0.000	0.000	0.000	0.000
739	H	307	LEU	0	-0.049	-0.037	24.248	-1.320	-1.320	0.000	0.000	0.000	0.000
740	H	308	ILE	0	0.008	-0.006	21.715	-0.701	-0.701	0.000	0.000	0.000	0.000
741	H	309	GLY	0	0.005	0.004	26.118	-0.821	-0.821	0.000	0.000	0.000	0.000
742	H	310	ILE	0	-0.041	-0.010	26.402	-0.889	-0.889	0.000	0.000	0.000	0.000
743	H	311	ASP	-1	-0.730	-0.847	29.814	33.812	33.812	0.000	0.000	0.000	0.000
744	H	312	GLN	0	-0.015	0.015	32.488	-0.577	-0.577	0.000	0.000	0.000	0.000
745	H	313	LEU	0	0.035	0.033	26.273	1.101	1.101	0.000	0.000	0.000	0.000
746	H	314	HIS	1	0.776	0.894	28.868	-37.679	-37.679	0.000	0.000	0.000	0.000
747	H	315	VAL	0	0.002	0.000	28.598	1.347	1.347	0.000	0.000	0.000	0.000
748	H	316	GLY	0	0.052	0.029	30.271	0.587	0.587	0.000	0.000	0.000	0.000
749	H	317	THR	0	-0.037	-0.023	31.668	-0.996	-0.996	0.000	0.000	0.000	0.000
750	H	318	ALA	0	0.025	-0.005	33.651	-0.909	-0.909	0.000	0.000	0.000	0.000
751	H	319	GLY	0	0.014	0.001	34.134	-0.833	-0.833	0.000	0.000	0.000	0.000
752	H	320	ALA	0	-0.042	-0.026	35.683	-0.497	-0.497	0.000	0.000	0.000	0.000
753	H	321	GLY	0	0.063	0.014	35.886	-0.724	-0.724	0.000	0.000	0.000	0.000
754	H	322	LYS	1	0.737	0.841	32.775	-34.334	-34.334	0.000	0.000	0.000	0.000
755	H	323	LEU	0	0.000	0.001	29.014	0.373	0.373	0.000	0.000	0.000	0.000
756	H	324	GLU	-1	-0.937	-0.971	27.314	38.494	38.494	0.000	0.000	0.000	0.000
757	H	325	GLY	0	0.011	-0.006	29.370	0.717	0.717	0.000	0.000	0.000	0.000
758	H	326	GLU	-1	-0.892	-0.907	30.865	34.396	34.396	0.000	0.000	0.000	0.000
759	H	327	ARG	1	0.974	0.968	32.918	-29.955	-29.955	0.000	0.000	0.000	0.000
760	H	328	ASP	-1	-0.935	-0.965	33.892	35.447	35.447	0.000	0.000	0.000	0.000
761	H	329	ILE	0	0.071	0.026	28.148	0.272	0.272	0.000	0.000	0.000	0.000
762	H	330	THR	0	-0.043	-0.014	31.300	0.614	0.614	0.000	0.000	0.000	0.000
763	H	331	LEU	0	-0.014	-0.015	32.424	0.032	0.032	0.000	0.000	0.000	0.000
764	H	332	GLY	0	0.071	0.048	31.541	-0.282	-0.282	0.000	0.000	0.000	0.000
765	H	333	PHE	0	-0.023	-0.022	26.516	0.643	0.643	0.000	0.000	0.000	0.000
766	H	334	VAL	0	-0.032	-0.013	30.552	-0.190	-0.190	0.000	0.000	0.000	0.000
767	H	335	ASP	-1	-0.864	-0.918	34.019	32.989	32.989	0.000	0.000	0.000	0.000
768	H	336	LEU	0	-0.043	-0.018	26.920	-0.126	-0.126	0.000	0.000	0.000	0.000
769	H	337	LEU	0	-0.043	-0.018	29.119	0.454	0.454	0.000	0.000	0.000	0.000
770	H	338	ARG	1	0.879	0.924	32.247	-32.015	-32.015	0.000	0.000	0.000	0.000
771	H	339	GLU	-1	-0.862	-0.931	35.064	32.273	32.273	0.000	0.000	0.000	0.000
772	H	340	SER	0	-0.032	-0.011	34.509	0.996	0.996	0.000	0.000	0.000	0.000
773	H	341	HIS	0	-0.102	-0.093	34.875	0.138	0.138	0.000	0.000	0.000	0.000
774	H	342	TYR	0	0.082	0.063	29.874	-0.170	-0.170	0.000	0.000	0.000	0.000
775	H	343	LYS	1	0.893	0.933	33.216	-31.141	-31.141	0.000	0.000	0.000	0.000
776	H	344	PRO	0	0.009	0.037	31.215	-0.573	-0.573	0.000	0.000	0.000	0.000
777	H	345	ASP	-1	-0.860	-0.926	33.652	32.656	32.656	0.000	0.000	0.000	0.000
778	H	346	GLU	-1	-0.989	-0.993	34.776	33.993	33.993	0.000	0.000	0.000	0.000
779	H	347	ASN	0	-0.029	-0.023	34.945	-0.274	-0.274	0.000	0.000	0.000	0.000
780	H	348	ASP	-1	-0.828	-0.904	29.994	41.338	41.338	0.000	0.000	0.000	0.000
781	H	349	VAL	0	-0.009	-0.002	27.736	0.302	0.302	0.000	0.000	0.000	0.000
782	H	350	PHE	0	-0.063	-0.040	25.418	1.824	1.824	0.000	0.000	0.000	0.000
783	H	351	HIS	1	0.829	0.902	25.303	-41.300	-41.300	0.000	0.000	0.000	0.000
784	H	352	LEU	0	0.002	0.008	25.105	-0.959	-0.959	0.000	0.000	0.000	0.000
785	H	353	GLU	-1	-0.842	-0.915	28.581	34.580	34.580	0.000	0.000	0.000	0.000
786	H	354	GLN	0	0.009	-0.008	26.727	2.935	2.935	0.000	0.000	0.000	0.000
787	H	355	LYS	1	0.854	0.949	30.561	-34.164	-34.164	0.000	0.000	0.000	0.000
788	H	356	PHE	0	0.078	0.022	28.588	1.094	1.094	0.000	0.000	0.000	0.000
789	H	357	TYR	0	-0.052	-0.042	31.841	-0.639	-0.639	0.000	0.000	0.000	0.000
790	H	358	SER	0	0.008	-0.003	34.896	-0.656	-0.656	0.000	0.000	0.000	0.000
791	H	359	ILE	0	-0.010	0.023	30.347	-0.533	-0.533	0.000	0.000	0.000	0.000
792	H	360	LYS	1	0.940	0.974	33.522	-31.311	-31.311	0.000	0.000	0.000	0.000
793	H	361	ALA	0	0.013	0.026	33.855	1.013	1.013	0.000	0.000	0.000	0.000
794	H	362	ALA	0	0.043	0.026	31.898	-0.507	-0.507	0.000	0.000	0.000	0.000
795	H	363	PHE	0	-0.001	-0.028	33.950	-0.561	-0.561	0.000	0.000	0.000	0.000
796	H	364	PRO	0	0.001	0.012	33.419	0.727	0.727	0.000	0.000	0.000	0.000
797	H	365	THR	0	0.012	0.012	33.158	-1.252	-1.252	0.000	0.000	0.000	0.000
798	H	366	SER	0	-0.032	-0.014	33.293	0.885	0.885	0.000	0.000	0.000	0.000
799	H	367	SER	0	0.000	-0.054	33.537	-1.270	-1.270	0.000	0.000	0.000	0.000
800	H	368	GLY	0	0.068	0.031	33.546	0.946	0.946	0.000	0.000	0.000	0.000
801	H	369	GLY	0	-0.048	-0.013	34.990	-0.168	-0.168	0.000	0.000	0.000	0.000
802	H	370	LEU	0	-0.002	-0.003	38.030	-0.564	-0.564	0.000	0.000	0.000	0.000
803	H	371	HIS	0	-0.031	-0.035	40.429	-0.690	-0.690	0.000	0.000	0.000	0.000
804	H	372	PRO	0	-0.008	-0.018	44.151	0.027	0.027	0.000	0.000	0.000	0.000
805	H	373	GLY	0	0.013	0.010	46.582	-0.451	-0.451	0.000	0.000	0.000	0.000
806	H	374	ASN	0	-0.012	0.007	41.244	-0.428	-0.428	0.000	0.000	0.000	0.000
807	H	375	ILE	0	0.084	0.031	42.274	0.615	0.615	0.000	0.000	0.000	0.000
808	H	376	GLN	0	0.020	-0.004	43.830	0.117	0.117	0.000	0.000	0.000	0.000
809	H	377	PRO	0	-0.026	-0.011	42.382	0.004	0.004	0.000	0.000	0.000	0.000
810	H	378	VAL	0	0.044	0.022	38.481	0.208	0.208	0.000	0.000	0.000	0.000
811	H	379	ILE	0	-0.004	-0.006	40.893	0.319	0.319	0.000	0.000	0.000	0.000
812	H	380	GLU	-1	-1.002	-0.986	43.259	25.970	25.970	0.000	0.000	0.000	0.000
813	H	381	ALA	0	-0.082	-0.038	39.771	0.090	0.090	0.000	0.000	0.000	0.000
814	H	382	LEU	0	0.027	0.014	36.193	0.503	0.503	0.000	0.000	0.000	0.000
815	H	383	GLY	0	0.050	0.036	39.580	0.311	0.311	0.000	0.000	0.000	0.000
816	H	384	THR	0	0.008	-0.020	42.373	0.223	0.223	0.000	0.000	0.000	0.000
817	H	385	ASP	-1	-0.887	-0.923	40.537	28.283	28.283	0.000	0.000	0.000	0.000
818	H	386	ILE	0	-0.015	-0.018	38.153	0.858	0.858	0.000	0.000	0.000	0.000
819	H	387	VAL	0	-0.020	-0.024	36.868	-0.900	-0.900	0.000	0.000	0.000	0.000
820	H	388	LEU	0	-0.016	-0.022	37.604	0.718	0.718	0.000	0.000	0.000	0.000
821	H	389	GLN	0	0.061	0.019	36.027	-1.185	-1.185	0.000	0.000	0.000	0.000
822	H	390	LEU	0	-0.081	-0.021	38.278	0.264	0.264	0.000	0.000	0.000	0.000
823	H	391	GLY	0	0.157	0.102	38.939	-0.631	-0.631	0.000	0.000	0.000	0.000
824	H	392	GLY	0	0.023	0.000	39.579	-0.901	-0.901	0.000	0.000	0.000	0.000
825	H	393	GLY	0	-0.061	-0.025	41.385	-0.737	-0.737	0.000	0.000	0.000	0.000
826	H	394	THR	0	-0.027	-0.012	43.356	-0.876	-0.876	0.000	0.000	0.000	0.000
827	H	395	LEU	0	0.036	0.008	42.283	-0.890	-0.890	0.000	0.000	0.000	0.000
828	H	396	GLY	0	0.003	0.017	44.893	-0.565	-0.565	0.000	0.000	0.000	0.000
829	H	397	HIS	1	0.760	0.939	46.375	-23.591	-23.591	0.000	0.000	0.000	0.000
830	H	398	PRO	0	-0.025	-0.008	49.541	-0.117	-0.117	0.000	0.000	0.000	0.000
831	H	399	ASP	-1	-0.892	-0.976	52.787	21.295	21.295	0.000	0.000	0.000	0.000
832	H	400	GLY	0	0.071	0.040	51.363	-0.259	-0.259	0.000	0.000	0.000	0.000
833	H	401	PRO	0	0.096	0.059	47.856	-0.163	-0.163	0.000	0.000	0.000	0.000
834	H	402	ALA	0	0.056	0.026	49.384	0.035	0.035	0.000	0.000	0.000	0.000
835	H	403	ALA	0	-0.093	-0.079	51.981	-0.267	-0.267	0.000	0.000	0.000	0.000
836	H	404	GLY	0	0.010	-0.046	48.760	-0.085	-0.085	0.000	0.000	0.000	0.000
837	H	405	ALA	0	0.010	0.028	48.280	0.177	0.177	0.000	0.000	0.000	0.000
838	H	406	ARG	1	0.891	0.952	49.250	-21.918	-21.918	0.000	0.000	0.000	0.000
839	H	407	ALA	0	-0.077	-0.026	50.385	-0.232	-0.232	0.000	0.000	0.000	0.000
840	H	408	VAL	0	0.027	0.025	45.530	-0.137	-0.137	0.000	0.000	0.000	0.000
841	H	409	ARG	1	0.914	0.981	48.746	-23.908	-23.908	0.000	0.000	0.000	0.000
842	H	410	GLN	0	0.064	0.024	50.684	-0.178	-0.178	0.000	0.000	0.000	0.000
843	H	411	ALA	0	0.021	0.001	49.322	-0.150	-0.150	0.000	0.000	0.000	0.000
844	H	412	ILE	0	0.001	0.011	45.890	-0.083	-0.083	0.000	0.000	0.000	0.000
845	H	413	ASP	-1	-0.902	-0.951	49.594	22.796	22.796	0.000	0.000	0.000	0.000
846	H	414	ALA	0	-0.083	-0.041	52.847	-0.327	-0.327	0.000	0.000	0.000	0.000
847	H	415	ILE	0	-0.042	-0.017	47.300	-0.142	-0.142	0.000	0.000	0.000	0.000
848	H	416	MET	0	-0.046	-0.008	49.743	0.183	0.183	0.000	0.000	0.000	0.000
849	H	417	GLN	0	-0.040	-0.024	52.032	-0.455	-0.455	0.000	0.000	0.000	0.000
850	H	418	GLY	0	0.050	0.035	53.882	-0.281	-0.281	0.000	0.000	0.000	0.000
851	H	419	ILE	0	-0.101	-0.047	54.908	-0.195	-0.195	0.000	0.000	0.000	0.000
852	H	420	PRO	0	0.019	0.001	54.273	0.240	0.240	0.000	0.000	0.000	0.000
853	H	421	LEU	0	0.059	0.023	49.209	-0.317	-0.317	0.000	0.000	0.000	0.000
854	H	422	ASP	-1	-0.874	-0.932	53.865	22.011	22.011	0.000	0.000	0.000	0.000
855	H	423	GLU	-1	-0.892	-0.943	56.919	19.708	19.708	0.000	0.000	0.000	0.000
856	H	424	TYR	0	0.051	0.019	55.979	-0.349	-0.349	0.000	0.000	0.000	0.000
857	H	425	ALA	0	0.126	0.064	55.669	-0.259	-0.259	0.000	0.000	0.000	0.000
858	H	426	LYS	1	0.757	0.897	57.593	-20.100	-20.100	0.000	0.000	0.000	0.000
859	H	427	THR	0	-0.016	-0.021	60.318	-0.490	-0.490	0.000	0.000	0.000	0.000
860	H	428	HIS	1	0.752	0.882	57.389	-20.948	-20.948	0.000	0.000	0.000	0.000
861	H	429	LYS	1	0.945	0.994	57.814	-20.487	-20.487	0.000	0.000	0.000	0.000
862	H	430	GLU	-1	-0.815	-0.896	54.269	21.252	21.252	0.000	0.000	0.000	0.000
863	H	431	LEU	0	0.096	0.048	52.207	0.301	0.301	0.000	0.000	0.000	0.000
864	H	432	ALA	0	-0.010	-0.009	53.685	0.297	0.297	0.000	0.000	0.000	0.000
865	H	433	ARG	1	0.840	0.906	55.293	-20.497	-20.497	0.000	0.000	0.000	0.000
866	H	434	ALA	0	-0.010	-0.005	50.259	0.183	0.183	0.000	0.000	0.000	0.000
867	H	435	LEU	0	-0.025	-0.021	50.730	0.321	0.321	0.000	0.000	0.000	0.000
868	H	436	GLU	-1	-0.971	-0.949	51.601	22.031	22.031	0.000	0.000	0.000	0.000
869	H	437	LYS	1	0.841	0.934	47.191	-24.977	-24.977	0.000	0.000	0.000	0.000
870	H	438	TRP	0	0.015	0.009	45.228	0.098	0.098	0.000	0.000	0.000	0.000
871	H	439	GLY	0	0.053	0.009	47.654	0.269	0.269	0.000	0.000	0.000	0.000
872	H	440	HIS	1	0.808	0.881	46.876	-24.507	-24.507	0.000	0.000	0.000	0.000
873	H	441	VAL	0	0.016	0.025	42.751	0.283	0.283	0.000	0.000	0.000	0.000
874	H	442	THR	0	0.016	0.010	38.331	-0.126	-0.126	0.000	0.000	0.000	0.000
875	H	443	PRO	0	-0.052	-0.009	37.523	0.166	0.166	0.000	0.000	0.000	0.000
876	H	444	VAL	0	0.022	0.025	35.148	0.602	0.602	0.000	0.000	0.000	0.000
878	H	600	CAP	-4	-3.305	-3.669	28.269	140.856	140.856	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #877(A:600:CAP)