FMO DATABASE

FMODB ID: 3QJML

Calculation Name: 3A13-AC-Xray434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 3A13

Chain ID: AC

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	-26594530.667183
FMO2-HF: Nuclear repulsion	26250115.437976
FMO2-HF: Total energy	-344415.229208
FMO2-MP2: Total energy	-345428.847955

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.
-460.662	-455.644	160.825	-79.392	-86.450	-0.769

Interactive mode: IFIE and PIEDA for fragment #438(A:446:CAP)

Summations of interaction energy for fragment #438(A:446: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.
-460.662	-455.644	160.825	-79.392	-86.45	0.769

Interaction energy analysis for fragmet #438(A:446:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.162 / q_NPA : -3.588

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	0.036	0.028	2.254	-12.168	-10.635	0.643	-0.740	-1.436	0.001
154	A	162	PRO	0	-0.047	-0.025	5.030	11.786	11.908	-0.001	-0.004	-0.116	0.000
155	A	163	LYS	1	0.834	0.911	1.999	-231.124	-230.625	11.189	-4.969	-6.719	0.071
157	A	165	LYS	1	0.754	0.879	4.387	-154.749	-154.276	-0.001	-0.177	-0.294	0.000
181	A	189	KCX	-1	-0.603	-0.879	2.382	191.120	192.233	8.631	-3.278	-6.466	-0.042
183	A	191	ASP	0	0.211	0.043	4.493	6.419	6.558	-0.001	-0.021	-0.117	0.000
184	A	192	GLU	0	0.147	-0.066	3.922	-15.379	-14.999	-0.001	-0.090	-0.289	0.000
274	A	281	HIS	0	0.222	0.114	1.938	15.433	10.872	14.046	-4.325	-5.160	-0.034
275	A	282	ARG	1	0.774	0.839	1.857	-287.091	-282.807	20.553	-14.608	-10.229	0.203
278	A	285	HIS	1	0.889	0.940	3.578	-169.454	-168.039	0.016	-0.725	-0.705	0.006
307	A	314	HIS	0	0.021	0.028	2.020	-52.513	-47.702	7.268	-5.922	-6.156	0.079
308	A	315	VAL	0	-0.019	-0.018	4.689	-6.980	-6.778	-0.001	-0.027	-0.173	0.000
309	A	316	GLY	0	0.046	0.022	3.646	-12.114	-11.072	0.022	-0.568	-0.496	0.004
310	A	317	THR	0	-0.008	0.000	4.626	-17.494	-17.286	-0.001	-0.027	-0.180	0.000
315	A	322	LYS	1	0.783	0.883	1.618	-277.824	-290.200	28.022	-9.773	-5.873	0.098
316	A	323	LEU	0	-0.028	-0.018	2.380	-20.230	-19.204	5.687	-2.469	-4.244	0.026
317	A	324	GLU	-1	-0.989	-1.010	5.691	96.548	96.609	-0.001	-0.002	-0.059	0.000
358	A	365	THR	0	-0.012	0.001	5.085	-5.700	-5.664	-0.001	-0.002	-0.033	0.000
359	A	366	SER	0	-0.039	-0.027	4.841	16.413	16.603	-0.001	-0.008	-0.181	0.000
360	A	367	SER	0	0.028	-0.015	1.847	-24.139	-25.391	12.365	-5.266	-5.846	0.031
361	A	368	GLY	0	0.089	0.059	2.274	7.509	11.254	7.196	-5.224	-5.716	0.021
362	A	369	GLY	0	-0.058	-0.035	1.905	-49.575	-53.903	8.606	-0.331	-3.948	0.056
363	A	370	LEU	0	-0.025	0.008	3.618	-35.410	-34.227	0.022	-0.607	-0.599	0.005
364	A	371	HIS	0	-0.017	0.001	4.752	8.247	8.413	-0.001	-0.006	-0.160	0.000
382	A	389	GLN	0	0.062	0.015	2.300	-30.352	-26.763	3.013	-2.889	-3.713	0.024
383	A	390	LEU	0	-0.057	-0.027	3.203	10.759	12.185	0.101	-0.695	-0.833	0.005
384	A	391	GLY	0	0.114	0.065	1.870	-42.387	-44.228	11.388	-5.620	-3.927	0.072
385	A	392	GLY	0	0.002	-0.020	1.734	-55.758	-62.924	14.538	-3.725	-3.647	0.067
386	A	393	GLY	0	-0.064	-0.031	3.733	-33.421	-32.324	0.024	-0.584	-0.538	0.006
387	A	394	THR	0	-0.019	0.008	5.664	-22.809	-22.781	-0.001	-0.001	-0.025	0.000
481	C	49	GLU	-1	-0.824	-0.938	4.864	176.711	176.751	-0.001	-0.015	-0.024	0.000
486	C	54	THR	0	-0.019	-0.028	2.059	-3.227	-1.257	4.024	-3.277	-2.717	0.045
487	C	55	TRP	0	-0.003	0.000	2.598	-53.170	-50.127	1.419	-1.857	-2.605	0.024
543	C	111	ASN	0	0.057	-0.022	2.529	-5.994	-3.349	2.065	-1.556	-3.155	0.001
544	C	112	ILE	0	0.017	0.022	5.028	4.170	4.246	-0.001	-0.004	-0.071	0.000
1	A	9	TYR	0	0.015	-0.022	35.462	-0.129	-0.129	0.000	0.000	0.000	0.000
2	A	10	ASP	-1	-0.912	-0.961	37.720	29.579	29.579	0.000	0.000	0.000	0.000
3	A	11	TYR	0	-0.034	-0.009	39.222	-0.346	-0.346	0.000	0.000	0.000	0.000
4	A	12	TYR	0	-0.036	-0.024	34.874	-0.279	-0.279	0.000	0.000	0.000	0.000
5	A	13	VAL	0	-0.049	-0.015	35.310	1.074	1.074	0.000	0.000	0.000	0.000
6	A	14	ASP	-1	-0.872	-0.952	36.494	28.529	28.529	0.000	0.000	0.000	0.000
7	A	15	LYS	1	0.803	0.885	36.092	-30.990	-30.990	0.000	0.000	0.000	0.000
8	A	16	GLY	0	-0.012	0.014	37.585	0.058	0.058	0.000	0.000	0.000	0.000
9	A	17	TYR	0	-0.093	-0.056	34.343	-0.590	-0.590	0.000	0.000	0.000	0.000
10	A	18	GLU	-1	-0.917	-0.964	36.164	32.265	32.265	0.000	0.000	0.000	0.000
11	A	19	PRO	0	-0.035	0.008	31.857	-0.235	-0.235	0.000	0.000	0.000	0.000
12	A	20	SER	0	-0.008	-0.021	34.025	-0.177	-0.177	0.000	0.000	0.000	0.000
13	A	21	LYS	1	1.011	0.980	31.460	-34.881	-34.881	0.000	0.000	0.000	0.000
14	A	22	LYS	1	0.825	0.912	31.034	-34.431	-34.431	0.000	0.000	0.000	0.000
15	A	23	ARG	1	0.960	0.966	32.976	-29.842	-29.842	0.000	0.000	0.000	0.000
16	A	24	ASP	-1	-0.727	-0.809	31.135	33.971	33.971	0.000	0.000	0.000	0.000
17	A	25	ILE	0	-0.012	0.001	25.270	0.981	0.981	0.000	0.000	0.000	0.000
18	A	26	ILE	0	-0.048	-0.022	26.069	-1.116	-1.116	0.000	0.000	0.000	0.000
19	A	27	ALA	0	0.010	0.031	23.267	1.918	1.918	0.000	0.000	0.000	0.000
20	A	28	VAL	0	-0.020	-0.008	21.867	-1.891	-1.891	0.000	0.000	0.000	0.000
21	A	29	PHE	0	0.048	0.008	21.598	2.668	2.668	0.000	0.000	0.000	0.000
22	A	30	ARG	1	0.866	0.929	19.443	-53.463	-53.463	0.000	0.000	0.000	0.000
23	A	31	VAL	0	-0.007	-0.010	22.600	0.860	0.860	0.000	0.000	0.000	0.000
24	A	32	THR	0	0.007	-0.003	24.012	-0.661	-0.661	0.000	0.000	0.000	0.000
25	A	33	PRO	0	0.026	0.016	26.465	0.363	0.363	0.000	0.000	0.000	0.000
26	A	34	ALA	0	-0.053	-0.010	29.746	0.588	0.588	0.000	0.000	0.000	0.000
27	A	35	GLU	-1	-0.914	-0.975	31.185	32.887	32.887	0.000	0.000	0.000	0.000
28	A	36	GLY	0	-0.015	-0.008	33.885	-0.471	-0.471	0.000	0.000	0.000	0.000
29	A	37	TYR	0	-0.040	-0.017	33.892	-0.911	-0.911	0.000	0.000	0.000	0.000
30	A	38	THR	0	0.035	0.010	34.594	0.745	0.745	0.000	0.000	0.000	0.000
31	A	39	ILE	0	0.065	0.028	29.360	0.553	0.553	0.000	0.000	0.000	0.000
32	A	40	GLU	-1	-0.834	-0.916	32.638	32.651	32.651	0.000	0.000	0.000	0.000
33	A	41	GLN	0	0.029	0.022	35.183	0.503	0.503	0.000	0.000	0.000	0.000
34	A	42	ALA	0	-0.017	-0.007	30.172	0.173	0.173	0.000	0.000	0.000	0.000
35	A	43	ALA	0	0.016	0.002	30.289	0.627	0.627	0.000	0.000	0.000	0.000
36	A	44	GLY	0	0.019	0.012	31.343	0.292	0.292	0.000	0.000	0.000	0.000
37	A	45	ALA	0	-0.012	-0.008	32.287	-0.077	-0.077	0.000	0.000	0.000	0.000
38	A	46	VAL	0	0.028	0.014	26.710	0.326	0.326	0.000	0.000	0.000	0.000
39	A	47	ALA	0	0.012	0.008	29.487	0.487	0.487	0.000	0.000	0.000	0.000
40	A	48	ALA	0	-0.020	0.007	31.228	-0.182	-0.182	0.000	0.000	0.000	0.000
41	A	49	GLU	-1	-0.869	-0.957	29.941	34.669	34.669	0.000	0.000	0.000	0.000
42	A	50	SER	0	-0.015	0.020	27.388	0.452	0.452	0.000	0.000	0.000	0.000
43	A	51	SER	0	-0.007	-0.022	29.068	-0.120	-0.120	0.000	0.000	0.000	0.000
44	A	52	THR	0	0.038	0.031	32.230	0.156	0.156	0.000	0.000	0.000	0.000
45	A	53	GLY	0	0.003	0.014	34.886	-0.951	-0.951	0.000	0.000	0.000	0.000
46	A	54	THR	0	0.004	-0.016	35.954	0.307	0.307	0.000	0.000	0.000	0.000
47	A	55	TRP	0	-0.015	0.002	36.930	-0.387	-0.387	0.000	0.000	0.000	0.000
48	A	56	THR	0	-0.024	0.005	38.483	-0.767	-0.767	0.000	0.000	0.000	0.000
49	A	57	THR	0	0.000	-0.008	42.073	0.216	0.216	0.000	0.000	0.000	0.000
50	A	58	LEU	0	0.018	0.000	41.101	-0.067	-0.067	0.000	0.000	0.000	0.000
51	A	59	TYR	0	-0.041	-0.016	45.576	-0.211	-0.211	0.000	0.000	0.000	0.000
52	A	60	PRO	0	-0.005	0.003	47.060	0.450	0.450	0.000	0.000	0.000	0.000
53	A	61	TRP	0	-0.047	-0.031	42.190	-0.775	-0.775	0.000	0.000	0.000	0.000
54	A	62	TYR	0	0.027	0.020	44.241	0.002	0.002	0.000	0.000	0.000	0.000
55	A	63	GLU	-1	-0.919	-0.982	45.979	24.881	24.881	0.000	0.000	0.000	0.000
56	A	64	GLN	0	-0.047	-0.039	45.018	0.850	0.850	0.000	0.000	0.000	0.000
57	A	65	GLU	-1	-0.930	-0.966	44.707	26.180	26.180	0.000	0.000	0.000	0.000
58	A	66	ARG	1	0.874	0.923	41.238	-26.346	-26.346	0.000	0.000	0.000	0.000
59	A	67	TRP	0	-0.029	-0.018	39.395	0.587	0.587	0.000	0.000	0.000	0.000
60	A	68	ALA	0	-0.022	-0.019	39.710	0.693	0.693	0.000	0.000	0.000	0.000
61	A	69	ASP	-1	-0.895	-0.927	40.086	29.651	29.651	0.000	0.000	0.000	0.000
62	A	70	LEU	0	-0.026	-0.004	36.103	0.763	0.763	0.000	0.000	0.000	0.000
63	A	71	SER	0	-0.071	-0.041	35.208	0.693	0.693	0.000	0.000	0.000	0.000
64	A	72	ALA	0	-0.022	0.006	31.532	-0.031	-0.031	0.000	0.000	0.000	0.000
65	A	73	LYS	1	0.920	0.953	33.138	-31.020	-31.020	0.000	0.000	0.000	0.000
66	A	74	ALA	0	0.010	0.008	31.665	1.057	1.057	0.000	0.000	0.000	0.000
67	A	75	TYR	0	0.014	-0.009	29.526	-0.676	-0.676	0.000	0.000	0.000	0.000
68	A	76	ASP	-1	-0.955	-0.968	30.291	36.400	36.400	0.000	0.000	0.000	0.000
69	A	77	PHE	0	-0.006	-0.010	30.136	1.055	1.055	0.000	0.000	0.000	0.000
70	A	78	HIS	0	0.046	0.021	26.744	-1.510	-1.510	0.000	0.000	0.000	0.000
71	A	79	ASP	-1	-0.899	-0.957	28.284	38.414	38.414	0.000	0.000	0.000	0.000
72	A	80	MET	0	-0.057	-0.018	22.380	0.200	0.200	0.000	0.000	0.000	0.000
73	A	81	GLY	0	-0.013	0.003	26.916	0.530	0.530	0.000	0.000	0.000	0.000
74	A	82	ASP	-1	-0.775	-0.866	24.131	45.496	45.496	0.000	0.000	0.000	0.000
75	A	83	GLY	0	-0.016	-0.012	27.279	0.368	0.368	0.000	0.000	0.000	0.000
76	A	84	SER	0	-0.091	-0.054	24.277	0.438	0.438	0.000	0.000	0.000	0.000
77	A	85	TRP	0	0.072	0.021	26.393	-0.661	-0.661	0.000	0.000	0.000	0.000
78	A	86	ILE	0	-0.021	-0.005	22.384	1.362	1.362	0.000	0.000	0.000	0.000
79	A	87	VAL	0	-0.009	-0.013	25.630	-1.768	-1.768	0.000	0.000	0.000	0.000
80	A	88	ARG	1	0.929	0.981	26.233	-38.931	-38.931	0.000	0.000	0.000	0.000
81	A	89	ILE	0	0.011	-0.004	27.419	-1.658	-1.658	0.000	0.000	0.000	0.000
82	A	90	ALA	0	-0.023	-0.011	28.206	1.298	1.298	0.000	0.000	0.000	0.000
83	A	91	TYR	0	0.000	-0.037	27.205	-0.519	-0.519	0.000	0.000	0.000	0.000
84	A	92	PRO	0	0.076	0.068	30.958	0.835	0.835	0.000	0.000	0.000	0.000
85	A	93	PHE	0	0.033	-0.014	30.757	0.038	0.038	0.000	0.000	0.000	0.000
86	A	94	HIS	0	-0.093	-0.044	31.755	1.190	1.190	0.000	0.000	0.000	0.000
87	A	95	ALA	0	0.017	0.009	32.150	-0.742	-0.742	0.000	0.000	0.000	0.000
88	A	96	PHE	0	-0.055	-0.039	28.221	0.469	0.469	0.000	0.000	0.000	0.000
89	A	97	GLU	-1	-0.766	-0.876	29.999	35.918	35.918	0.000	0.000	0.000	0.000
90	A	98	GLU	-1	-0.955	-0.979	29.328	34.640	34.640	0.000	0.000	0.000	0.000
91	A	99	ALA	0	0.004	0.000	26.618	-0.031	-0.031	0.000	0.000	0.000	0.000
92	A	100	ASN	0	0.057	0.049	25.653	1.896	1.896	0.000	0.000	0.000	0.000
93	A	101	LEU	0	-0.012	-0.008	18.124	0.125	0.125	0.000	0.000	0.000	0.000
94	A	102	PRO	0	0.044	0.013	21.255	0.639	0.639	0.000	0.000	0.000	0.000
95	A	103	GLY	0	0.076	0.028	22.380	-0.109	-0.109	0.000	0.000	0.000	0.000
96	A	104	LEU	0	-0.048	-0.002	22.184	-0.399	-0.399	0.000	0.000	0.000	0.000
97	A	105	LEU	0	-0.036	-0.041	17.966	0.060	0.060	0.000	0.000	0.000	0.000
98	A	106	ALA	0	0.013	0.011	21.823	0.377	0.377	0.000	0.000	0.000	0.000
99	A	107	SER	0	-0.032	-0.019	24.330	-0.639	-0.639	0.000	0.000	0.000	0.000
100	A	108	ILE	0	-0.049	-0.026	21.142	-0.243	-0.243	0.000	0.000	0.000	0.000
101	A	109	ALA	0	-0.014	-0.017	19.170	1.613	1.613	0.000	0.000	0.000	0.000
102	A	110	GLY	0	0.114	0.053	20.761	1.465	1.465	0.000	0.000	0.000	0.000
103	A	111	ASN	0	0.049	-0.012	23.387	2.025	2.025	0.000	0.000	0.000	0.000
104	A	112	ILE	0	-0.013	0.014	23.400	-0.291	-0.291	0.000	0.000	0.000	0.000
105	A	113	PHE	0	0.016	0.012	18.994	-0.451	-0.451	0.000	0.000	0.000	0.000
106	A	114	GLY	0	0.000	-0.006	23.379	0.636	0.636	0.000	0.000	0.000	0.000
107	A	115	MET	0	-0.015	0.020	25.925	-1.793	-1.793	0.000	0.000	0.000	0.000
108	A	116	LYS	1	0.822	0.896	28.639	-33.648	-33.648	0.000	0.000	0.000	0.000
109	A	117	ARG	1	0.835	0.918	31.084	-32.882	-32.882	0.000	0.000	0.000	0.000
110	A	118	VAL	0	-0.008	0.006	26.318	-0.394	-0.394	0.000	0.000	0.000	0.000
111	A	119	LYS	1	0.931	0.963	25.633	-40.949	-40.949	0.000	0.000	0.000	0.000
112	A	120	GLY	0	-0.017	-0.007	22.964	1.406	1.406	0.000	0.000	0.000	0.000
113	A	121	LEU	0	0.001	-0.001	21.787	-1.679	-1.679	0.000	0.000	0.000	0.000
114	A	122	ARG	1	0.878	0.944	12.556	-68.287	-68.287	0.000	0.000	0.000	0.000
115	A	123	LEU	0	-0.013	0.020	18.017	-1.474	-1.474	0.000	0.000	0.000	0.000
116	A	124	GLU	-1	-0.854	-0.956	17.132	64.915	64.915	0.000	0.000	0.000	0.000
117	A	125	ASP	-1	-0.811	-0.921	17.442	57.526	57.526	0.000	0.000	0.000	0.000
118	A	126	LEU	0	0.025	0.009	19.275	-1.896	-1.896	0.000	0.000	0.000	0.000
119	A	127	TYR	0	-0.115	-0.048	21.096	1.073	1.073	0.000	0.000	0.000	0.000
120	A	128	PHE	0	0.063	0.021	21.128	-1.266	-1.266	0.000	0.000	0.000	0.000
121	A	129	PRO	0	0.065	0.042	24.947	0.137	0.137	0.000	0.000	0.000	0.000
122	A	130	GLU	-1	-0.881	-0.949	27.695	36.351	36.351	0.000	0.000	0.000	0.000
123	A	131	LYS	1	0.868	0.941	28.930	-34.140	-34.140	0.000	0.000	0.000	0.000
124	A	132	LEU	0	0.112	0.052	25.484	-0.140	-0.140	0.000	0.000	0.000	0.000
125	A	133	ILE	0	-0.058	-0.013	23.013	0.977	0.977	0.000	0.000	0.000	0.000
126	A	134	ARG	1	0.792	0.861	25.060	-36.637	-36.637	0.000	0.000	0.000	0.000
127	A	135	GLU	-1	-0.848	-0.908	26.414	38.508	38.508	0.000	0.000	0.000	0.000
128	A	136	PHE	0	-0.058	-0.022	20.610	0.974	0.974	0.000	0.000	0.000	0.000
129	A	137	ASP	-1	-0.861	-0.934	22.969	42.946	42.946	0.000	0.000	0.000	0.000
130	A	138	GLY	0	-0.057	-0.022	19.670	-0.100	-0.100	0.000	0.000	0.000	0.000
131	A	139	PRO	0	-0.031	-0.006	16.797	-0.665	-0.665	0.000	0.000	0.000	0.000
132	A	140	ALA	0	0.033	0.027	19.066	-2.299	-2.299	0.000	0.000	0.000	0.000
133	A	141	PHE	0	-0.078	-0.034	18.905	-1.953	-1.953	0.000	0.000	0.000	0.000
134	A	142	GLY	0	0.021	-0.002	17.447	-1.764	-1.764	0.000	0.000	0.000	0.000
135	A	143	ILE	0	-0.030	-0.021	15.313	0.378	0.378	0.000	0.000	0.000	0.000
136	A	144	GLU	-1	-0.992	-1.003	17.613	47.482	47.482	0.000	0.000	0.000	0.000
137	A	145	GLY	0	0.072	0.039	20.818	-1.327	-1.327	0.000	0.000	0.000	0.000
138	A	146	VAL	0	-0.019	-0.008	15.444	-0.926	-0.926	0.000	0.000	0.000	0.000
139	A	147	ARG	1	0.784	0.869	17.306	-63.897	-63.897	0.000	0.000	0.000	0.000
140	A	148	LYS	1	0.928	0.973	20.093	-45.919	-45.919	0.000	0.000	0.000	0.000
141	A	149	MET	0	-0.030	-0.010	17.620	-1.342	-1.342	0.000	0.000	0.000	0.000
142	A	150	LEU	0	-0.029	-0.026	15.861	-0.271	-0.271	0.000	0.000	0.000	0.000
143	A	151	GLU	-1	-0.942	-0.972	20.386	45.798	45.798	0.000	0.000	0.000	0.000
144	A	152	ILE	0	-0.073	-0.020	17.608	-0.690	-0.690	0.000	0.000	0.000	0.000
145	A	153	LYS	1	0.891	0.949	20.803	-46.440	-46.440	0.000	0.000	0.000	0.000
146	A	154	ASP	-1	-0.864	-0.931	21.444	50.419	50.419	0.000	0.000	0.000	0.000
147	A	155	ARG	1	0.772	0.856	15.595	-66.266	-66.266	0.000	0.000	0.000	0.000
148	A	156	PRO	0	0.041	0.022	13.499	-0.657	-0.657	0.000	0.000	0.000	0.000
149	A	157	ILE	0	-0.035	0.001	13.012	-2.449	-2.449	0.000	0.000	0.000	0.000
150	A	158	TYR	0	-0.007	-0.039	7.900	2.376	2.376	0.000	0.000	0.000	0.000
151	A	159	GLY	0	0.048	-0.012	9.059	-8.060	-8.060	0.000	0.000	0.000	0.000
152	A	160	VAL	0	-0.052	-0.024	6.563	11.065	11.065	0.000	0.000	0.000	0.000
156	A	164	PRO	0	0.044	-0.007	6.413	-6.135	-6.135	0.000	0.000	0.000	0.000
158	A	166	VAL	0	0.021	0.018	7.320	-3.882	-3.882	0.000	0.000	0.000	0.000
159	A	167	GLY	0	0.033	0.002	10.769	0.092	0.092	0.000	0.000	0.000	0.000
160	A	168	TYR	0	-0.071	-0.011	8.874	-6.281	-6.281	0.000	0.000	0.000	0.000
161	A	169	SER	0	0.029	0.001	14.684	1.022	1.022	0.000	0.000	0.000	0.000
162	A	170	PRO	0	0.056	0.021	16.337	3.358	3.358	0.000	0.000	0.000	0.000
163	A	171	GLU	-1	-0.858	-0.938	17.780	52.273	52.273	0.000	0.000	0.000	0.000
164	A	172	GLU	-1	-0.818	-0.897	16.314	62.036	62.036	0.000	0.000	0.000	0.000
165	A	173	PHE	0	-0.014	-0.020	11.230	2.465	2.465	0.000	0.000	0.000	0.000
166	A	174	GLU	-1	-0.826	-0.899	15.245	51.817	51.817	0.000	0.000	0.000	0.000
167	A	175	LYS	1	0.874	0.940	18.117	-55.449	-55.449	0.000	0.000	0.000	0.000
168	A	176	LEU	0	0.001	-0.003	10.302	0.200	0.200	0.000	0.000	0.000	0.000
169	A	177	ALA	0	0.038	0.009	13.918	1.726	1.726	0.000	0.000	0.000	0.000
170	A	178	TYR	0	-0.056	-0.062	14.852	-0.808	-0.808	0.000	0.000	0.000	0.000
171	A	179	ASP	-1	-0.876	-0.948	16.185	57.679	57.679	0.000	0.000	0.000	0.000
172	A	180	LEU	0	-0.027	-0.022	10.674	-0.304	-0.304	0.000	0.000	0.000	0.000
173	A	181	LEU	0	0.014	0.007	13.832	0.193	0.193	0.000	0.000	0.000	0.000
174	A	182	SER	0	0.002	0.003	16.352	-2.026	-2.026	0.000	0.000	0.000	0.000
175	A	183	ASN	0	-0.116	-0.055	16.529	-4.147	-4.147	0.000	0.000	0.000	0.000
176	A	184	GLY	0	0.015	0.008	15.974	1.345	1.345	0.000	0.000	0.000	0.000
177	A	185	ALA	0	0.011	0.020	12.206	1.591	1.591	0.000	0.000	0.000	0.000
178	A	186	ASP	-1	-0.739	-0.831	13.142	68.899	68.899	0.000	0.000	0.000	0.000
179	A	187	TYR	0	-0.027	0.003	7.541	-1.325	-1.325	0.000	0.000	0.000	0.000
180	A	188	MET	0	0.001	0.033	9.623	5.259	5.259	0.000	0.000	0.000	0.000
182	A	190	ASP	-1	-0.692	-0.837	6.788	90.354	90.354	0.000	0.000	0.000	0.000
186	A	193	ASN	0	-0.038	0.008	5.706	-2.999	-2.999	0.000	0.000	0.000	0.000
187	A	194	LEU	0	-0.075	-0.016	8.312	-7.572	-7.572	0.000	0.000	0.000	0.000
188	A	195	THR	0	0.025	0.014	10.208	-1.338	-1.338	0.000	0.000	0.000	0.000
189	A	196	SER	0	0.054	0.037	13.221	-0.328	-0.328	0.000	0.000	0.000	0.000
190	A	197	PRO	0	0.020	0.033	14.701	-4.081	-4.081	0.000	0.000	0.000	0.000
191	A	198	TRP	0	-0.022	-0.030	17.780	-0.751	-0.751	0.000	0.000	0.000	0.000
192	A	199	TYR	0	-0.052	-0.038	13.653	0.267	0.267	0.000	0.000	0.000	0.000
193	A	200	ASN	0	-0.005	-0.027	14.200	0.047	0.047	0.000	0.000	0.000	0.000
194	A	201	ARG	1	0.961	0.994	16.205	-48.837	-48.837	0.000	0.000	0.000	0.000
195	A	202	PHE	0	0.074	0.010	14.278	0.690	0.690	0.000	0.000	0.000	0.000
196	A	203	GLU	-1	-0.899	-0.959	17.359	46.799	46.799	0.000	0.000	0.000	0.000
197	A	204	GLU	-1	-0.899	-0.956	19.940	49.362	49.362	0.000	0.000	0.000	0.000
198	A	205	ARG	1	0.769	0.879	12.632	-74.075	-74.075	0.000	0.000	0.000	0.000
199	A	206	ALA	0	0.016	-0.006	17.269	0.670	0.670	0.000	0.000	0.000	0.000
200	A	207	GLU	-1	-0.899	-0.943	18.633	44.852	44.852	0.000	0.000	0.000	0.000
201	A	208	ILE	0	-0.063	-0.025	17.969	-0.873	-0.873	0.000	0.000	0.000	0.000
202	A	209	MET	0	-0.037	-0.022	14.606	0.504	0.504	0.000	0.000	0.000	0.000
203	A	210	ALA	0	0.050	0.035	18.119	-0.113	-0.113	0.000	0.000	0.000	0.000
204	A	211	LYS	1	0.884	0.949	21.113	-47.991	-47.991	0.000	0.000	0.000	0.000
205	A	212	ILE	0	-0.063	-0.044	18.117	-1.221	-1.221	0.000	0.000	0.000	0.000
206	A	213	ILE	0	-0.029	-0.017	16.693	0.687	0.687	0.000	0.000	0.000	0.000
207	A	214	ASP	-1	-0.834	-0.906	20.283	45.405	45.405	0.000	0.000	0.000	0.000
208	A	215	LYS	1	0.737	0.876	23.168	-47.284	-47.284	0.000	0.000	0.000	0.000
209	A	216	VAL	0	0.035	0.005	19.340	-1.000	-1.000	0.000	0.000	0.000	0.000
210	A	217	GLU	-1	-0.850	-0.874	21.630	51.277	51.277	0.000	0.000	0.000	0.000
211	A	218	ASN	0	-0.119	-0.052	23.854	-1.988	-1.988	0.000	0.000	0.000	0.000
212	A	219	GLU	-1	-0.831	-0.884	25.235	44.281	44.281	0.000	0.000	0.000	0.000
213	A	220	THR	0	-0.071	-0.078	21.810	-0.179	-0.179	0.000	0.000	0.000	0.000
214	A	221	GLY	0	-0.052	-0.011	25.082	-0.558	-0.558	0.000	0.000	0.000	0.000
215	A	222	GLU	-1	-0.978	-0.990	20.869	54.944	54.944	0.000	0.000	0.000	0.000
216	A	223	LYS	1	0.931	0.977	21.089	-47.359	-47.359	0.000	0.000	0.000	0.000
217	A	224	LYS	1	0.862	0.938	16.984	-60.309	-60.309	0.000	0.000	0.000	0.000
218	A	225	THR	0	-0.025	-0.016	13.872	-1.697	-1.697	0.000	0.000	0.000	0.000
219	A	226	TRP	0	0.024	0.001	11.487	1.022	1.022	0.000	0.000	0.000	0.000
220	A	227	PHE	0	-0.043	-0.026	8.448	-3.355	-3.355	0.000	0.000	0.000	0.000
221	A	228	ALA	0	0.075	0.055	10.316	5.528	5.528	0.000	0.000	0.000	0.000
222	A	229	ASN	0	-0.002	-0.002	8.726	-3.983	-3.983	0.000	0.000	0.000	0.000
223	A	230	ILE	0	0.009	0.003	10.918	-2.486	-2.486	0.000	0.000	0.000	0.000
224	A	231	THR	0	-0.051	-0.031	10.027	-4.246	-4.246	0.000	0.000	0.000	0.000
225	A	232	ALA	0	-0.011	-0.024	12.935	0.146	0.146	0.000	0.000	0.000	0.000
226	A	233	ASP	-1	-0.882	-0.938	16.160	53.533	53.533	0.000	0.000	0.000	0.000
227	A	234	LEU	0	-0.002	-0.005	19.484	0.653	0.653	0.000	0.000	0.000	0.000
228	A	235	LEU	0	0.055	0.028	20.994	0.242	0.242	0.000	0.000	0.000	0.000
229	A	236	GLU	-1	-0.877	-0.944	19.433	48.715	48.715	0.000	0.000	0.000	0.000
230	A	237	MET	0	-0.120	-0.043	16.135	2.626	2.626	0.000	0.000	0.000	0.000
231	A	238	GLU	-1	-0.811	-0.893	18.596	45.301	45.301	0.000	0.000	0.000	0.000
232	A	239	GLN	0	0.016	0.011	21.821	0.790	0.790	0.000	0.000	0.000	0.000
233	A	240	ARG	1	0.791	0.883	16.091	-58.179	-58.179	0.000	0.000	0.000	0.000
234	A	241	LEU	0	-0.021	-0.026	17.167	1.315	1.315	0.000	0.000	0.000	0.000
235	A	242	GLU	-1	-0.928	-0.955	19.839	41.613	41.613	0.000	0.000	0.000	0.000
236	A	243	VAL	0	0.019	0.014	20.741	-0.318	-0.318	0.000	0.000	0.000	0.000
237	A	244	LEU	0	-0.092	-0.052	15.944	0.388	0.388	0.000	0.000	0.000	0.000
238	A	245	ALA	0	0.011	0.004	20.512	-0.430	-0.430	0.000	0.000	0.000	0.000
239	A	246	ASP	-1	-0.903	-0.933	23.410	40.953	40.953	0.000	0.000	0.000	0.000
240	A	247	LEU	0	-0.083	-0.047	21.342	-0.803	-0.803	0.000	0.000	0.000	0.000
241	A	248	GLY	0	-0.054	-0.010	24.102	0.019	0.019	0.000	0.000	0.000	0.000
242	A	249	LEU	0	-0.074	-0.029	17.959	1.995	1.995	0.000	0.000	0.000	0.000
243	A	250	LYS	1	0.905	0.928	18.578	-56.232	-56.232	0.000	0.000	0.000	0.000
244	A	251	HIS	1	0.755	0.871	13.524	-71.980	-71.980	0.000	0.000	0.000	0.000
245	A	252	ALA	0	0.092	0.064	14.209	-0.589	-0.589	0.000	0.000	0.000	0.000
246	A	253	MET	0	-0.073	-0.020	5.516	2.991	2.991	0.000	0.000	0.000	0.000
247	A	254	VAL	0	0.039	0.021	9.856	-3.807	-3.807	0.000	0.000	0.000	0.000
248	A	255	ASP	-1	-0.790	-0.909	7.358	112.053	112.053	0.000	0.000	0.000	0.000
249	A	256	VAL	0	-0.030	-0.015	8.420	-6.279	-6.279	0.000	0.000	0.000	0.000
250	A	257	VAL	0	-0.067	-0.026	7.815	-4.937	-4.937	0.000	0.000	0.000	0.000
251	A	258	ILE	0	-0.033	0.009	9.221	-5.218	-5.218	0.000	0.000	0.000	0.000
252	A	259	THR	0	0.002	-0.014	12.259	-6.096	-6.096	0.000	0.000	0.000	0.000
253	A	260	GLY	0	0.005	0.003	13.740	-4.266	-4.266	0.000	0.000	0.000	0.000
254	A	261	TRP	0	-0.027	-0.036	13.750	0.941	0.941	0.000	0.000	0.000	0.000
255	A	262	GLY	0	0.026	0.025	17.735	-1.504	-1.504	0.000	0.000	0.000	0.000
256	A	263	ALA	0	0.047	0.019	19.181	-1.824	-1.824	0.000	0.000	0.000	0.000
257	A	264	LEU	0	-0.040	-0.009	13.403	0.435	0.435	0.000	0.000	0.000	0.000
258	A	265	ARG	1	0.931	0.968	17.707	-44.927	-44.927	0.000	0.000	0.000	0.000
259	A	266	TYR	0	0.008	-0.010	20.439	-0.303	-0.303	0.000	0.000	0.000	0.000
260	A	267	ILE	0	0.038	0.022	16.246	-0.037	-0.037	0.000	0.000	0.000	0.000
261	A	268	ARG	1	0.785	0.870	17.766	-50.592	-50.592	0.000	0.000	0.000	0.000
262	A	269	ASP	-1	-0.861	-0.935	19.209	46.745	46.745	0.000	0.000	0.000	0.000
263	A	270	LEU	0	0.047	0.034	21.499	-0.661	-0.661	0.000	0.000	0.000	0.000
264	A	271	ALA	0	-0.018	-0.015	18.482	-0.461	-0.461	0.000	0.000	0.000	0.000
265	A	272	ALA	0	-0.064	-0.034	20.462	-0.282	-0.282	0.000	0.000	0.000	0.000
266	A	273	ASP	-1	-0.919	-0.952	22.666	41.611	41.611	0.000	0.000	0.000	0.000
267	A	274	TYR	0	-0.036	-0.019	21.964	-1.062	-1.062	0.000	0.000	0.000	0.000
268	A	275	GLY	0	-0.075	-0.026	23.446	-0.210	-0.210	0.000	0.000	0.000	0.000
269	A	276	LEU	0	-0.053	-0.026	18.049	1.491	1.491	0.000	0.000	0.000	0.000
270	A	277	ALA	0	-0.057	-0.028	16.468	0.458	0.458	0.000	0.000	0.000	0.000
271	A	278	ILE	0	0.015	-0.002	12.935	2.819	2.819	0.000	0.000	0.000	0.000
272	A	279	HIS	0	-0.101	-0.070	5.745	-6.574	-6.574	0.000	0.000	0.000	0.000
273	A	280	GLY	0	0.033	0.005	9.104	-1.467	-1.467	0.000	0.000	0.000	0.000
276	A	283	ALA	0	0.030	0.015	4.892	-1.420	-1.420	0.000	0.000	0.000	0.000
277	A	284	MET	0	0.064	0.037	5.699	-11.965	-11.965	0.000	0.000	0.000	0.000
279	A	286	ALA	0	-0.039	-0.007	6.609	-7.098	-7.098	0.000	0.000	0.000	0.000
280	A	287	ALA	0	0.008	0.012	8.481	-6.614	-6.614	0.000	0.000	0.000	0.000
281	A	288	PHE	0	0.030	-0.003	11.153	-5.370	-5.370	0.000	0.000	0.000	0.000
282	A	289	THR	0	0.013	0.022	8.618	1.671	1.671	0.000	0.000	0.000	0.000
283	A	290	ARG	1	0.789	0.901	9.483	-93.913	-93.913	0.000	0.000	0.000	0.000
284	A	291	ASN	0	0.027	0.021	10.877	-2.639	-2.639	0.000	0.000	0.000	0.000
285	A	292	PRO	0	0.054	0.021	14.584	-0.824	-0.824	0.000	0.000	0.000	0.000
286	A	293	TYR	0	-0.064	-0.041	16.007	-1.752	-1.752	0.000	0.000	0.000	0.000
287	A	294	HIS	0	-0.107	-0.058	17.383	-3.582	-3.582	0.000	0.000	0.000	0.000
288	A	295	GLY	0	0.043	0.039	15.745	3.427	3.427	0.000	0.000	0.000	0.000
289	A	296	ILE	0	0.014	0.000	13.873	-3.348	-3.348	0.000	0.000	0.000	0.000
290	A	297	SER	0	0.019	0.019	12.813	8.038	8.038	0.000	0.000	0.000	0.000
291	A	298	MET	0	0.017	0.013	6.743	3.195	3.195	0.000	0.000	0.000	0.000
292	A	299	PHE	0	0.003	0.007	10.268	1.079	1.079	0.000	0.000	0.000	0.000
293	A	300	VAL	0	0.029	0.027	13.110	-2.059	-2.059	0.000	0.000	0.000	0.000
294	A	301	LEU	0	0.007	-0.003	8.811	-0.767	-0.767	0.000	0.000	0.000	0.000
295	A	302	ALA	0	-0.004	-0.003	10.343	-0.224	-0.224	0.000	0.000	0.000	0.000
296	A	303	LYS	1	0.826	0.920	11.602	-56.736	-56.736	0.000	0.000	0.000	0.000
297	A	304	LEU	0	0.006	0.000	14.814	-2.386	-2.386	0.000	0.000	0.000	0.000
298	A	305	TYR	0	0.071	0.022	9.470	0.758	0.758	0.000	0.000	0.000	0.000
299	A	306	ARG	1	0.787	0.895	13.658	-60.252	-60.252	0.000	0.000	0.000	0.000
300	A	307	LEU	0	-0.043	-0.037	15.411	-2.780	-2.780	0.000	0.000	0.000	0.000
301	A	308	ILE	0	0.006	-0.004	15.955	-2.199	-2.199	0.000	0.000	0.000	0.000
302	A	309	GLY	0	-0.008	0.000	16.774	-2.294	-2.294	0.000	0.000	0.000	0.000
303	A	310	ILE	0	-0.014	-0.005	10.841	0.829	0.829	0.000	0.000	0.000	0.000
304	A	311	ASP	-1	-0.735	-0.859	14.017	64.440	64.440	0.000	0.000	0.000	0.000
305	A	312	GLN	0	-0.025	0.006	10.428	-7.270	-7.270	0.000	0.000	0.000	0.000
306	A	313	LEU	0	0.029	0.041	7.242	0.851	0.851	0.000	0.000	0.000	0.000
311	A	318	ALA	0	0.014	0.003	7.035	-9.594	-9.594	0.000	0.000	0.000	0.000
312	A	319	GLY	0	0.016	0.014	8.893	-8.196	-8.196	0.000	0.000	0.000	0.000
313	A	320	ALA	0	-0.026	-0.008	10.208	-1.621	-1.621	0.000	0.000	0.000	0.000
314	A	321	GLY	0	0.073	0.037	6.918	-2.285	-2.285	0.000	0.000	0.000	0.000
318	A	325	GLY	0	0.051	0.017	5.721	14.127	14.127	0.000	0.000	0.000	0.000
319	A	326	GLU	-1	-0.953	-0.964	7.644	75.302	75.302	0.000	0.000	0.000	0.000
320	A	327	ARG	1	0.957	0.975	10.846	-65.332	-65.332	0.000	0.000	0.000	0.000
321	A	328	ASP	-1	-0.838	-0.934	12.785	72.666	72.666	0.000	0.000	0.000	0.000
322	A	329	ILE	0	0.031	0.014	9.620	-0.355	-0.355	0.000	0.000	0.000	0.000
323	A	330	THR	0	-0.028	-0.007	8.012	5.321	5.321	0.000	0.000	0.000	0.000
324	A	331	ILE	0	0.006	0.002	9.894	-0.072	-0.072	0.000	0.000	0.000	0.000
325	A	332	GLN	0	0.029	0.030	13.367	-4.162	-4.162	0.000	0.000	0.000	0.000
326	A	333	ASN	0	-0.023	-0.018	7.927	-8.493	-8.493	0.000	0.000	0.000	0.000
327	A	334	ALA	0	0.021	0.007	11.085	-1.389	-1.389	0.000	0.000	0.000	0.000
328	A	335	ARG	1	0.808	0.898	12.147	-60.122	-60.122	0.000	0.000	0.000	0.000
329	A	336	ILE	0	-0.026	0.000	13.796	-3.631	-3.631	0.000	0.000	0.000	0.000
330	A	337	LEU	0	-0.009	0.009	9.910	-2.322	-2.322	0.000	0.000	0.000	0.000
331	A	338	ARG	1	0.869	0.931	13.712	-75.174	-75.174	0.000	0.000	0.000	0.000
332	A	339	GLU	-1	-0.843	-0.914	16.800	52.181	52.181	0.000	0.000	0.000	0.000
333	A	340	SER	0	0.012	0.012	20.103	0.025	0.025	0.000	0.000	0.000	0.000
334	A	341	HIS	0	-0.085	-0.095	23.263	-1.962	-1.962	0.000	0.000	0.000	0.000
335	A	342	TYR	0	0.003	0.010	18.684	-1.058	-1.058	0.000	0.000	0.000	0.000
336	A	343	LYS	1	0.908	0.944	22.508	-43.700	-43.700	0.000	0.000	0.000	0.000
337	A	344	PRO	0	0.019	0.034	22.116	1.394	1.394	0.000	0.000	0.000	0.000
338	A	345	ASP	-1	-0.891	-0.949	21.745	49.996	49.996	0.000	0.000	0.000	0.000
339	A	346	GLU	-1	-0.972	-0.987	24.342	38.134	38.134	0.000	0.000	0.000	0.000
340	A	347	ASN	0	-0.009	-0.007	23.024	-1.291	-1.291	0.000	0.000	0.000	0.000
341	A	348	ASP	-1	-0.841	-0.893	20.141	55.810	55.810	0.000	0.000	0.000	0.000
342	A	349	VAL	0	0.023	0.006	22.545	-1.159	-1.159	0.000	0.000	0.000	0.000
343	A	350	PHE	0	-0.059	-0.037	18.908	-0.358	-0.358	0.000	0.000	0.000	0.000
344	A	351	HIS	1	0.818	0.891	16.245	-59.883	-59.883	0.000	0.000	0.000	0.000
345	A	352	LEU	0	0.015	0.015	20.952	-2.182	-2.182	0.000	0.000	0.000	0.000
346	A	353	GLU	-1	-0.883	-0.926	23.002	41.331	41.331	0.000	0.000	0.000	0.000
347	A	354	GLN	0	-0.017	-0.027	21.287	0.471	0.471	0.000	0.000	0.000	0.000
348	A	355	LYS	1	0.873	0.958	23.727	-37.601	-37.601	0.000	0.000	0.000	0.000
349	A	356	PHE	0	0.095	0.035	18.717	-0.176	-0.176	0.000	0.000	0.000	0.000
350	A	357	TYR	0	-0.040	-0.037	23.922	-1.224	-1.224	0.000	0.000	0.000	0.000
351	A	358	SER	0	0.021	0.001	26.302	-0.299	-0.299	0.000	0.000	0.000	0.000
352	A	359	ILE	0	-0.007	0.031	20.118	0.524	0.524	0.000	0.000	0.000	0.000
353	A	360	LYS	1	0.945	0.979	20.760	-47.631	-47.631	0.000	0.000	0.000	0.000
354	A	361	ALA	0	0.007	0.023	17.500	1.544	1.544	0.000	0.000	0.000	0.000
355	A	362	ALA	0	0.061	0.035	13.233	-0.730	-0.730	0.000	0.000	0.000	0.000
356	A	363	PHE	0	0.004	-0.032	11.903	0.121	0.121	0.000	0.000	0.000	0.000
357	A	364	PRO	0	-0.032	-0.013	9.308	6.384	6.384	0.000	0.000	0.000	0.000
365	A	372	PRO	0	0.015	-0.001	7.575	-4.127	-4.127	0.000	0.000	0.000	0.000
366	A	373	GLY	0	0.022	-0.023	10.872	-5.704	-5.704	0.000	0.000	0.000	0.000
367	A	374	ASN	0	-0.062	-0.037	7.817	-4.278	-4.278	0.000	0.000	0.000	0.000
368	A	375	ILE	0	0.089	0.037	8.913	3.333	3.333	0.000	0.000	0.000	0.000
369	A	376	GLN	0	-0.043	-0.030	11.370	0.821	0.821	0.000	0.000	0.000	0.000
370	A	377	PRO	0	0.027	0.013	13.228	-2.069	-2.069	0.000	0.000	0.000	0.000
371	A	378	VAL	0	-0.011	0.001	9.517	-1.340	-1.340	0.000	0.000	0.000	0.000
372	A	379	ILE	0	0.012	-0.005	12.219	-2.312	-2.312	0.000	0.000	0.000	0.000
373	A	380	GLU	-1	-0.953	-0.951	14.602	58.753	58.753	0.000	0.000	0.000	0.000
374	A	381	ALA	0	-0.057	-0.021	13.398	-3.114	-3.114	0.000	0.000	0.000	0.000
375	A	382	LEU	0	-0.018	-0.015	9.232	-2.199	-2.199	0.000	0.000	0.000	0.000
376	A	383	GLY	0	0.036	0.020	13.837	-2.395	-2.395	0.000	0.000	0.000	0.000
377	A	384	THR	0	0.032	-0.013	14.763	4.161	4.161	0.000	0.000	0.000	0.000
378	A	385	ASP	-1	-0.856	-0.904	15.746	63.714	63.714	0.000	0.000	0.000	0.000
379	A	386	ILE	0	-0.063	-0.037	10.398	2.511	2.511	0.000	0.000	0.000	0.000
380	A	387	VAL	0	0.017	0.012	9.164	-4.739	-4.739	0.000	0.000	0.000	0.000
381	A	388	LEU	0	-0.018	-0.026	8.476	9.185	9.185	0.000	0.000	0.000	0.000
388	A	395	LEU	0	-0.029	-0.008	6.684	-14.029	-14.029	0.000	0.000	0.000	0.000
389	A	396	GLY	0	0.057	0.036	7.818	-5.231	-5.231	0.000	0.000	0.000	0.000
390	A	397	HIS	0	-0.080	-0.038	8.908	-6.435	-6.435	0.000	0.000	0.000	0.000
391	A	398	PRO	0	-0.012	0.013	11.742	-2.390	-2.390	0.000	0.000	0.000	0.000
392	A	399	ASP	-1	-0.887	-0.952	15.053	55.018	55.018	0.000	0.000	0.000	0.000
393	A	400	GLY	0	0.026	0.005	13.648	-2.446	-2.446	0.000	0.000	0.000	0.000
394	A	401	PRO	0	0.051	0.010	11.606	0.323	0.323	0.000	0.000	0.000	0.000
395	A	402	ALA	0	0.027	0.017	12.674	1.790	1.790	0.000	0.000	0.000	0.000
396	A	403	ALA	0	-0.038	-0.010	15.388	-1.746	-1.746	0.000	0.000	0.000	0.000
397	A	404	GLY	0	0.050	0.005	11.393	-0.343	-0.343	0.000	0.000	0.000	0.000
398	A	405	ALA	0	0.025	0.027	11.606	1.933	1.933	0.000	0.000	0.000	0.000
399	A	406	ARG	1	0.879	0.919	12.498	-58.336	-58.336	0.000	0.000	0.000	0.000
400	A	407	ALA	0	-0.055	-0.015	13.018	-2.108	-2.108	0.000	0.000	0.000	0.000
401	A	408	VAL	0	0.005	0.006	8.937	-2.097	-2.097	0.000	0.000	0.000	0.000
402	A	409	ARG	1	0.923	0.946	12.014	-65.674	-65.674	0.000	0.000	0.000	0.000
403	A	410	GLN	0	0.007	-0.004	14.979	-2.787	-2.787	0.000	0.000	0.000	0.000
404	A	411	ALA	0	-0.022	-0.036	13.314	-2.408	-2.408	0.000	0.000	0.000	0.000
405	A	412	ILE	0	-0.007	-0.011	12.157	-1.662	-1.662	0.000	0.000	0.000	0.000
406	A	413	ASP	-1	-0.909	-0.949	15.831	55.716	55.716	0.000	0.000	0.000	0.000
407	A	414	ALA	0	-0.074	-0.040	18.581	-2.570	-2.570	0.000	0.000	0.000	0.000
408	A	415	ILE	0	-0.018	-0.011	14.875	-1.906	-1.906	0.000	0.000	0.000	0.000
409	A	416	MET	0	-0.043	-0.012	18.827	-0.912	-0.912	0.000	0.000	0.000	0.000
410	A	417	GLN	0	-0.026	-0.008	21.049	-3.090	-3.090	0.000	0.000	0.000	0.000
411	A	418	GLY	0	-0.012	0.009	22.552	-2.342	-2.342	0.000	0.000	0.000	0.000
412	A	419	ILE	0	-0.058	-0.026	23.245	-0.690	-0.690	0.000	0.000	0.000	0.000
413	A	420	PRO	0	0.032	0.017	21.454	2.478	2.478	0.000	0.000	0.000	0.000
414	A	421	LEU	0	0.056	0.029	15.941	-1.528	-1.528	0.000	0.000	0.000	0.000
415	A	422	ASP	-1	-0.870	-0.935	19.407	56.109	56.109	0.000	0.000	0.000	0.000
416	A	423	GLU	-1	-0.909	-0.951	21.721	42.324	42.324	0.000	0.000	0.000	0.000
417	A	424	TYR	0	-0.004	0.000	20.046	-2.215	-2.215	0.000	0.000	0.000	0.000
418	A	425	ALA	0	0.036	0.024	19.809	-0.533	-0.533	0.000	0.000	0.000	0.000
419	A	426	LYS	1	0.838	0.916	21.442	-44.913	-44.913	0.000	0.000	0.000	0.000
420	A	427	THR	0	-0.041	-0.013	24.477	-0.986	-0.986	0.000	0.000	0.000	0.000
421	A	428	HIS	1	0.829	0.908	20.496	-50.479	-50.479	0.000	0.000	0.000	0.000
422	A	429	LYS	1	0.993	1.006	20.620	-49.044	-49.044	0.000	0.000	0.000	0.000
423	A	430	GLU	-1	-0.781	-0.875	16.687	55.667	55.667	0.000	0.000	0.000	0.000
424	A	431	LEU	0	0.080	0.062	15.557	3.567	3.567	0.000	0.000	0.000	0.000
425	A	432	ALA	0	-0.016	-0.002	16.431	2.297	2.297	0.000	0.000	0.000	0.000
426	A	433	ARG	1	0.807	0.887	17.542	-56.018	-56.018	0.000	0.000	0.000	0.000
427	A	434	ALA	0	0.026	0.021	12.424	1.699	1.699	0.000	0.000	0.000	0.000
428	A	435	LEU	0	-0.017	-0.029	14.005	2.789	2.789	0.000	0.000	0.000	0.000
429	A	436	GLU	-1	-0.960	-0.969	16.023	54.762	54.762	0.000	0.000	0.000	0.000
430	A	437	LYS	1	0.802	0.914	10.633	-88.542	-88.542	0.000	0.000	0.000	0.000
431	A	438	TRP	0	-0.001	-0.005	8.603	1.924	1.924	0.000	0.000	0.000	0.000
432	A	439	GLY	0	0.006	0.012	13.153	0.157	0.157	0.000	0.000	0.000	0.000
433	A	440	HIS	1	0.857	0.914	13.822	-65.101	-65.101	0.000	0.000	0.000	0.000
434	A	441	VAL	0	-0.017	0.013	10.582	-0.631	-0.631	0.000	0.000	0.000	0.000
435	A	442	THR	0	0.016	0.005	10.143	3.119	3.119	0.000	0.000	0.000	0.000
436	A	443	PRO	0	-0.030	0.001	6.395	-7.152	-7.152	0.000	0.000	0.000	0.000
437	A	444	VAL	0	0.053	0.054	8.750	2.000	2.000	0.000	0.000	0.000	0.000
439	C	7	THR	0	-0.037	-0.028	14.048	2.244	2.244	0.000	0.000	0.000	0.000
440	C	8	ILE	0	-0.012	-0.016	9.771	-2.390	-2.390	0.000	0.000	0.000	0.000
441	C	9	TYR	0	-0.007	-0.036	6.378	-1.903	-1.903	0.000	0.000	0.000	0.000
442	C	10	ASP	-1	-0.942	-0.973	12.772	58.050	58.050	0.000	0.000	0.000	0.000
443	C	11	TYR	0	0.005	0.022	14.787	-4.358	-4.358	0.000	0.000	0.000	0.000
444	C	12	TYR	0	-0.043	-0.030	11.436	0.022	0.022	0.000	0.000	0.000	0.000
445	C	13	VAL	0	-0.045	-0.017	16.486	-0.937	-0.937	0.000	0.000	0.000	0.000
446	C	14	ASP	-1	-0.874	-0.955	19.612	47.787	47.787	0.000	0.000	0.000	0.000
447	C	15	LYS	1	0.797	0.877	22.884	-49.088	-49.088	0.000	0.000	0.000	0.000
448	C	16	GLY	0	-0.025	0.005	25.812	-1.544	-1.544	0.000	0.000	0.000	0.000
449	C	17	TYR	0	-0.094	-0.069	24.721	-1.157	-1.157	0.000	0.000	0.000	0.000
450	C	18	GLU	-1	-0.910	-0.962	26.778	39.814	39.814	0.000	0.000	0.000	0.000
451	C	19	PRO	0	-0.031	-0.002	25.685	0.272	0.272	0.000	0.000	0.000	0.000
452	C	20	SER	0	-0.020	-0.027	26.950	-2.706	-2.706	0.000	0.000	0.000	0.000
453	C	21	LYS	1	1.024	0.986	27.606	-35.598	-35.598	0.000	0.000	0.000	0.000
454	C	22	LYS	1	0.798	0.889	29.032	-36.517	-36.517	0.000	0.000	0.000	0.000
455	C	23	ARG	1	0.930	0.957	26.157	-40.245	-40.245	0.000	0.000	0.000	0.000
456	C	24	ASP	-1	-0.716	-0.787	23.346	50.054	50.054	0.000	0.000	0.000	0.000
457	C	25	ILE	0	0.001	0.011	18.851	-1.851	-1.851	0.000	0.000	0.000	0.000
458	C	26	ILE	0	-0.041	-0.017	21.161	1.037	1.037	0.000	0.000	0.000	0.000
459	C	27	ALA	0	0.011	0.025	17.212	-0.902	-0.902	0.000	0.000	0.000	0.000
460	C	28	VAL	0	0.004	0.007	19.185	-0.005	-0.005	0.000	0.000	0.000	0.000
461	C	29	PHE	0	0.039	0.010	14.221	0.987	0.987	0.000	0.000	0.000	0.000
462	C	30	ARG	1	0.903	0.964	18.974	-50.673	-50.673	0.000	0.000	0.000	0.000
463	C	31	VAL	0	-0.006	-0.018	16.506	3.238	3.238	0.000	0.000	0.000	0.000
464	C	32	THR	0	0.016	0.008	17.970	-4.345	-4.345	0.000	0.000	0.000	0.000
465	C	33	PRO	0	0.019	0.013	17.427	4.521	4.521	0.000	0.000	0.000	0.000
466	C	34	ALA	0	-0.040	-0.005	15.249	-2.142	-2.142	0.000	0.000	0.000	0.000
467	C	35	GLU	-1	-0.918	-0.979	17.369	51.482	51.482	0.000	0.000	0.000	0.000
468	C	36	GLY	0	-0.025	-0.011	19.301	1.911	1.911	0.000	0.000	0.000	0.000
469	C	37	TYR	0	-0.053	-0.019	14.401	2.437	2.437	0.000	0.000	0.000	0.000
470	C	38	THR	0	0.044	0.014	18.855	-0.550	-0.550	0.000	0.000	0.000	0.000
471	C	39	ILE	0	0.067	0.027	19.047	3.492	3.492	0.000	0.000	0.000	0.000
472	C	40	GLU	-1	-0.809	-0.893	19.191	54.136	54.136	0.000	0.000	0.000	0.000
473	C	41	GLN	0	0.009	0.008	15.862	2.754	2.754	0.000	0.000	0.000	0.000
474	C	42	ALA	0	-0.003	-0.003	14.564	5.875	5.875	0.000	0.000	0.000	0.000
475	C	43	ALA	0	0.029	0.011	14.315	4.723	4.723	0.000	0.000	0.000	0.000
476	C	44	GLY	0	0.041	0.025	15.157	1.647	1.647	0.000	0.000	0.000	0.000
477	C	45	ALA	0	-0.015	-0.011	10.498	4.052	4.052	0.000	0.000	0.000	0.000
478	C	46	VAL	0	0.030	0.015	10.291	7.812	7.812	0.000	0.000	0.000	0.000
479	C	47	ALA	0	0.019	0.014	11.589	2.807	2.807	0.000	0.000	0.000	0.000
480	C	48	ALA	0	-0.027	0.002	10.127	1.003	1.003	0.000	0.000	0.000	0.000
482	C	50	SER	0	-0.024	0.014	7.744	2.548	2.548	0.000	0.000	0.000	0.000
483	C	51	SER	0	-0.015	-0.013	10.359	-6.470	-6.470	0.000	0.000	0.000	0.000
484	C	52	THR	0	0.038	0.001	9.939	6.792	6.792	0.000	0.000	0.000	0.000
485	C	53	GLY	0	-0.004	0.010	8.423	1.452	1.452	0.000	0.000	0.000	0.000
488	C	56	THR	0	-0.020	0.003	5.443	-20.367	-20.367	0.000	0.000	0.000	0.000
489	C	57	THR	0	-0.019	-0.012	7.821	-0.589	-0.589	0.000	0.000	0.000	0.000
490	C	58	LEU	0	0.034	-0.004	5.997	5.471	5.471	0.000	0.000	0.000	0.000
491	C	59	TYR	0	-0.020	0.002	9.911	-7.423	-7.423	0.000	0.000	0.000	0.000
492	C	60	PRO	0	-0.007	-0.006	12.406	2.773	2.773	0.000	0.000	0.000	0.000
493	C	61	TRP	0	-0.059	-0.037	9.938	-7.027	-7.027	0.000	0.000	0.000	0.000
494	C	62	TYR	0	0.008	0.013	11.968	0.606	0.606	0.000	0.000	0.000	0.000
495	C	63	GLU	-1	-0.939	-0.979	15.977	49.483	49.483	0.000	0.000	0.000	0.000
496	C	64	GLN	0	-0.018	-0.026	15.638	2.428	2.428	0.000	0.000	0.000	0.000
497	C	65	GLU	-1	-0.941	-0.965	18.128	50.014	50.014	0.000	0.000	0.000	0.000
498	C	66	ARG	1	0.890	0.948	17.215	-58.472	-58.472	0.000	0.000	0.000	0.000
499	C	67	TRP	0	0.013	-0.002	11.302	-0.975	-0.975	0.000	0.000	0.000	0.000
500	C	68	ALA	0	-0.022	-0.014	15.902	1.980	1.980	0.000	0.000	0.000	0.000
501	C	69	ASP	-1	-0.883	-0.918	17.901	51.581	51.581	0.000	0.000	0.000	0.000
502	C	70	LEU	0	-0.028	-0.012	15.968	-0.345	-0.345	0.000	0.000	0.000	0.000
503	C	71	SER	0	-0.041	0.002	15.039	4.826	4.826	0.000	0.000	0.000	0.000
504	C	72	ALA	0	-0.041	-0.010	15.459	-3.599	-3.599	0.000	0.000	0.000	0.000
505	C	73	LYS	1	0.936	0.969	17.169	-53.587	-53.587	0.000	0.000	0.000	0.000
506	C	74	ALA	0	0.000	0.005	18.048	-1.370	-1.370	0.000	0.000	0.000	0.000
507	C	75	TYR	0	0.025	-0.003	19.839	-1.589	-1.589	0.000	0.000	0.000	0.000
508	C	76	ASP	-1	-0.959	-0.973	23.344	42.211	42.211	0.000	0.000	0.000	0.000
509	C	77	PHE	0	-0.017	-0.019	20.744	2.457	2.457	0.000	0.000	0.000	0.000
510	C	78	HIS	0	0.040	0.021	25.265	-2.845	-2.845	0.000	0.000	0.000	0.000
511	C	79	ASP	-1	-0.902	-0.949	26.346	45.447	45.447	0.000	0.000	0.000	0.000
512	C	80	MET	0	-0.033	-0.015	26.129	-1.572	-1.572	0.000	0.000	0.000	0.000
513	C	81	GLY	0	-0.012	0.001	28.462	-1.394	-1.394	0.000	0.000	0.000	0.000
514	C	82	ASP	-1	-0.802	-0.882	25.985	45.718	45.718	0.000	0.000	0.000	0.000
515	C	83	GLY	0	-0.017	-0.008	24.797	0.826	0.826	0.000	0.000	0.000	0.000
516	C	84	SER	0	-0.098	-0.068	22.219	2.906	2.906	0.000	0.000	0.000	0.000
517	C	85	TRP	0	0.068	0.015	22.176	-2.243	-2.243	0.000	0.000	0.000	0.000
518	C	86	ILE	0	-0.020	-0.001	21.923	2.801	2.801	0.000	0.000	0.000	0.000
519	C	87	VAL	0	-0.006	-0.020	19.264	-0.914	-0.914	0.000	0.000	0.000	0.000
520	C	88	ARG	1	0.923	0.981	20.492	-42.994	-42.994	0.000	0.000	0.000	0.000
521	C	89	ILE	0	0.016	-0.003	15.841	0.001	0.001	0.000	0.000	0.000	0.000
522	C	90	ALA	0	-0.028	-0.006	19.571	-0.548	-0.548	0.000	0.000	0.000	0.000
523	C	91	TYR	0	0.003	-0.037	14.009	0.967	0.967	0.000	0.000	0.000	0.000
524	C	92	PRO	0	0.051	0.055	18.146	-2.666	-2.666	0.000	0.000	0.000	0.000
525	C	93	PHE	0	0.027	-0.029	19.607	1.271	1.271	0.000	0.000	0.000	0.000
526	C	94	HIS	0	-0.115	-0.057	20.517	0.505	0.505	0.000	0.000	0.000	0.000
527	C	95	ALA	0	0.050	0.025	15.640	0.633	0.633	0.000	0.000	0.000	0.000
528	C	96	PHE	0	-0.051	-0.017	13.807	4.362	4.362	0.000	0.000	0.000	0.000
529	C	97	GLU	-1	-0.776	-0.877	16.392	56.739	56.739	0.000	0.000	0.000	0.000
530	C	98	GLU	-1	-1.014	-1.009	18.299	45.758	45.758	0.000	0.000	0.000	0.000
531	C	99	ALA	0	-0.006	-0.005	21.181	0.368	0.368	0.000	0.000	0.000	0.000
532	C	100	ASN	0	0.064	0.046	15.275	0.603	0.603	0.000	0.000	0.000	0.000
533	C	101	LEU	0	-0.015	-0.009	16.810	2.651	2.651	0.000	0.000	0.000	0.000
534	C	102	PRO	0	0.047	0.011	14.647	3.520	3.520	0.000	0.000	0.000	0.000
535	C	103	GLY	0	0.070	0.028	12.310	5.400	5.400	0.000	0.000	0.000	0.000
536	C	104	LEU	0	-0.033	0.002	12.128	4.410	4.410	0.000	0.000	0.000	0.000
537	C	105	LEU	0	-0.038	-0.035	13.135	3.050	3.050	0.000	0.000	0.000	0.000
538	C	106	ALA	0	0.037	0.021	8.421	4.559	4.559	0.000	0.000	0.000	0.000
539	C	107	SER	0	-0.014	-0.013	8.217	11.588	11.588	0.000	0.000	0.000	0.000
540	C	108	ILE	0	-0.051	-0.024	10.265	3.432	3.432	0.000	0.000	0.000	0.000
541	C	109	ALA	0	-0.028	-0.025	11.075	-2.733	-2.733	0.000	0.000	0.000	0.000
542	C	110	GLY	0	0.109	0.053	7.200	0.215	0.215	0.000	0.000	0.000	0.000
545	C	113	PHE	0	-0.034	0.004	8.439	-3.409	-3.409	0.000	0.000	0.000	0.000
546	C	114	GLY	0	0.014	-0.001	5.891	-6.060	-6.060	0.000	0.000	0.000	0.000
547	C	115	MET	0	-0.037	0.018	6.940	2.255	2.255	0.000	0.000	0.000	0.000
548	C	116	LYS	1	0.891	0.935	8.434	-124.169	-124.169	0.000	0.000	0.000	0.000
549	C	117	ARG	1	0.793	0.890	10.709	-96.529	-96.529	0.000	0.000	0.000	0.000
550	C	118	VAL	0	-0.010	0.006	11.862	-6.454	-6.454	0.000	0.000	0.000	0.000
551	C	119	LYS	1	0.936	0.965	13.054	-53.599	-53.599	0.000	0.000	0.000	0.000
552	C	120	GLY	0	-0.024	-0.009	15.014	0.158	0.158	0.000	0.000	0.000	0.000
553	C	121	LEU	0	0.000	0.001	11.980	-1.322	-1.322	0.000	0.000	0.000	0.000
554	C	122	ARG	1	0.900	0.960	15.321	-51.274	-51.274	0.000	0.000	0.000	0.000
555	C	123	LEU	0	-0.032	0.011	15.369	-1.723	-1.723	0.000	0.000	0.000	0.000
556	C	124	GLU	-1	-0.835	-0.952	17.599	49.793	49.793	0.000	0.000	0.000	0.000
557	C	125	ASP	-1	-0.807	-0.917	20.829	44.335	44.335	0.000	0.000	0.000	0.000
558	C	126	LEU	0	-0.006	-0.004	17.655	2.720	2.720	0.000	0.000	0.000	0.000
559	C	127	TYR	0	-0.086	-0.048	21.183	-2.846	-2.846	0.000	0.000	0.000	0.000
560	C	128	PHE	0	0.033	0.005	19.790	1.605	1.605	0.000	0.000	0.000	0.000
561	C	129	PRO	0	0.081	0.045	23.846	-2.247	-2.247	0.000	0.000	0.000	0.000
562	C	130	GLU	-1	-0.847	-0.910	27.117	35.281	35.281	0.000	0.000	0.000	0.000
563	C	131	LYS	1	0.905	0.957	25.409	-44.644	-44.644	0.000	0.000	0.000	0.000
564	C	132	LEU	0	0.112	0.056	20.953	-0.154	-0.154	0.000	0.000	0.000	0.000
565	C	133	ILE	0	-0.062	-0.017	25.386	-0.312	-0.312	0.000	0.000	0.000	0.000
566	C	134	ARG	1	0.813	0.878	27.870	-35.515	-35.515	0.000	0.000	0.000	0.000
567	C	135	GLU	-1	-0.843	-0.906	23.308	47.204	47.204	0.000	0.000	0.000	0.000
568	C	136	PHE	0	-0.046	-0.014	21.773	1.225	1.225	0.000	0.000	0.000	0.000
569	C	137	ASP	-1	-0.854	-0.929	27.612	36.643	36.643	0.000	0.000	0.000	0.000
570	C	138	GLY	0	-0.044	-0.016	29.404	-1.194	-1.194	0.000	0.000	0.000	0.000
571	C	139	PRO	0	-0.055	-0.018	30.743	-0.307	-0.307	0.000	0.000	0.000	0.000
572	C	140	ALA	0	0.058	0.039	32.946	-0.762	-0.762	0.000	0.000	0.000	0.000
573	C	141	PHE	0	-0.070	-0.032	35.552	-1.316	-1.316	0.000	0.000	0.000	0.000
574	C	142	GLY	0	-0.011	-0.027	35.803	-0.628	-0.628	0.000	0.000	0.000	0.000
575	C	143	ILE	0	-0.009	-0.012	36.739	-0.626	-0.626	0.000	0.000	0.000	0.000
576	C	144	GLU	-1	-0.976	-0.979	39.195	26.411	26.411	0.000	0.000	0.000	0.000
577	C	145	GLY	0	-0.001	-0.006	40.439	-0.702	-0.702	0.000	0.000	0.000	0.000
578	C	146	VAL	0	0.002	-0.001	38.094	-0.549	-0.549	0.000	0.000	0.000	0.000
579	C	147	ARG	1	0.822	0.874	41.405	-27.859	-27.859	0.000	0.000	0.000	0.000
580	C	148	LYS	1	0.917	0.968	44.288	-27.447	-27.447	0.000	0.000	0.000	0.000
581	C	149	MET	0	-0.026	-0.002	40.372	-0.589	-0.589	0.000	0.000	0.000	0.000
582	C	150	LEU	0	-0.021	-0.020	42.416	-0.397	-0.397	0.000	0.000	0.000	0.000
583	C	151	GLU	-1	-0.965	-0.977	46.313	23.023	23.023	0.000	0.000	0.000	0.000
584	C	152	ILE	0	-0.050	-0.010	45.773	-0.498	-0.498	0.000	0.000	0.000	0.000
585	C	153	LYS	1	0.891	0.949	46.929	-23.360	-23.360	0.000	0.000	0.000	0.000
586	C	154	ASP	-1	-0.843	-0.932	47.438	24.890	24.890	0.000	0.000	0.000	0.000
587	C	155	ARG	1	0.774	0.862	46.571	-24.933	-24.933	0.000	0.000	0.000	0.000
588	C	156	PRO	0	0.044	0.014	42.480	0.223	0.223	0.000	0.000	0.000	0.000
589	C	157	ILE	0	-0.029	0.001	41.034	-0.607	-0.607	0.000	0.000	0.000	0.000
590	C	158	TYR	0	0.006	-0.019	41.964	0.286	0.286	0.000	0.000	0.000	0.000
591	C	159	GLY	0	0.056	-0.034	41.303	-0.471	-0.471	0.000	0.000	0.000	0.000
592	C	160	VAL	0	-0.051	-0.023	40.789	0.212	0.212	0.000	0.000	0.000	0.000
593	C	161	VAL	0	0.025	0.021	35.269	-0.055	-0.055	0.000	0.000	0.000	0.000
594	C	162	PRO	0	-0.031	-0.034	38.440	-0.400	-0.400	0.000	0.000	0.000	0.000
595	C	163	LYS	1	0.793	0.878	34.902	-31.965	-31.965	0.000	0.000	0.000	0.000
596	C	164	PRO	0	0.043	-0.005	38.778	-0.768	-0.768	0.000	0.000	0.000	0.000
597	C	165	LYS	1	0.826	0.913	30.844	-36.140	-36.140	0.000	0.000	0.000	0.000
598	C	166	VAL	0	0.000	0.012	33.070	-0.020	-0.020	0.000	0.000	0.000	0.000
599	C	167	GLY	0	0.030	0.001	36.276	-0.400	-0.400	0.000	0.000	0.000	0.000
600	C	168	TYR	0	-0.076	-0.018	38.100	-0.946	-0.946	0.000	0.000	0.000	0.000
601	C	169	SER	0	0.040	0.022	40.658	0.618	0.618	0.000	0.000	0.000	0.000
602	C	170	PRO	0	0.052	0.014	41.590	-0.114	-0.114	0.000	0.000	0.000	0.000
603	C	171	GLU	-1	-0.834	-0.936	43.711	25.333	25.333	0.000	0.000	0.000	0.000
604	C	172	GLU	-1	-0.814	-0.867	45.042	25.629	25.629	0.000	0.000	0.000	0.000
605	C	173	PHE	0	-0.018	-0.018	41.412	-0.175	-0.175	0.000	0.000	0.000	0.000
606	C	174	GLU	-1	-0.907	-0.945	44.984	23.566	23.566	0.000	0.000	0.000	0.000
607	C	175	LYS	1	0.912	0.947	47.676	-22.693	-22.693	0.000	0.000	0.000	0.000
608	C	176	LEU	0	0.003	0.004	43.895	-0.286	-0.286	0.000	0.000	0.000	0.000
609	C	177	ALA	0	0.034	0.013	45.069	-0.014	-0.014	0.000	0.000	0.000	0.000
610	C	178	TYR	0	-0.062	-0.047	46.669	-0.193	-0.193	0.000	0.000	0.000	0.000
611	C	179	ASP	-1	-0.885	-0.939	50.267	22.524	22.524	0.000	0.000	0.000	0.000
612	C	180	LEU	0	-0.006	-0.012	44.787	-0.238	-0.238	0.000	0.000	0.000	0.000
613	C	181	LEU	0	-0.002	-0.001	44.930	-0.060	-0.060	0.000	0.000	0.000	0.000
614	C	182	SER	0	-0.034	-0.029	48.782	-0.316	-0.316	0.000	0.000	0.000	0.000
615	C	183	ASN	0	-0.101	-0.045	51.354	-0.784	-0.784	0.000	0.000	0.000	0.000
616	C	184	GLY	0	0.017	0.011	50.486	-0.068	-0.068	0.000	0.000	0.000	0.000
617	C	185	ALA	0	0.015	0.016	45.088	0.311	0.311	0.000	0.000	0.000	0.000
618	C	186	ASP	-1	-0.748	-0.853	44.030	25.646	25.646	0.000	0.000	0.000	0.000
619	C	187	TYR	0	-0.040	0.022	38.186	0.279	0.279	0.000	0.000	0.000	0.000
620	C	188	MET	0	0.025	0.043	41.337	-0.227	-0.227	0.000	0.000	0.000	0.000
621	C	189	KCX	-1	-0.497	-0.804	32.667	35.584	35.584	0.000	0.000	0.000	0.000
622	C	190	ASP	-1	-0.676	-0.815	34.306	31.468	31.468	0.000	0.000	0.000	0.000
623	C	191	ASP	0	0.183	0.025	33.462	0.538	0.538	0.000	0.000	0.000	0.000
624	C	192	GLU	0	0.102	-0.059	27.894	-0.131	-0.131	0.000	0.000	0.000	0.000
625	C	445	merge:C:AS	-1	-1.759	-1.106	27.721	36.315	36.315	0.000	0.000	0.000	0.000
626	C	193	ASN	0	0.018	0.015	28.494	0.347	0.347	0.000	0.000	0.000	0.000
627	C	194	LEU	0	-0.059	-0.009	29.465	-0.149	-0.149	0.000	0.000	0.000	0.000
628	C	195	THR	0	0.013	0.014	28.387	-0.279	-0.279	0.000	0.000	0.000	0.000
629	C	196	SER	0	0.047	0.044	31.780	-1.537	-1.537	0.000	0.000	0.000	0.000
630	C	197	PRO	0	0.015	0.017	33.513	0.045	0.045	0.000	0.000	0.000	0.000
631	C	198	TRP	0	-0.032	-0.035	34.771	-1.142	-1.142	0.000	0.000	0.000	0.000
632	C	199	TYR	0	-0.007	-0.005	34.335	-0.764	-0.764	0.000	0.000	0.000	0.000
633	C	200	ASN	0	-0.014	-0.044	37.649	-0.618	-0.618	0.000	0.000	0.000	0.000
634	C	201	ARG	1	0.960	1.009	35.535	-30.208	-30.208	0.000	0.000	0.000	0.000
635	C	202	PHE	0	0.065	0.003	34.604	-0.457	-0.457	0.000	0.000	0.000	0.000
636	C	203	GLU	-1	-0.837	-0.938	37.161	29.867	29.867	0.000	0.000	0.000	0.000
637	C	204	GLU	-1	-0.930	-0.967	39.969	26.945	26.945	0.000	0.000	0.000	0.000
638	C	205	ARG	1	0.765	0.872	34.522	-32.472	-32.472	0.000	0.000	0.000	0.000
639	C	206	ALA	0	0.012	0.008	39.642	-0.324	-0.324	0.000	0.000	0.000	0.000
640	C	207	GLU	-1	-0.921	-0.966	41.561	25.273	25.273	0.000	0.000	0.000	0.000
641	C	208	ILE	0	-0.071	-0.032	44.835	-0.553	-0.553	0.000	0.000	0.000	0.000
642	C	209	MET	0	-0.031	-0.022	41.959	-0.681	-0.681	0.000	0.000	0.000	0.000
643	C	210	ALA	0	0.045	0.037	44.968	-0.243	-0.243	0.000	0.000	0.000	0.000
644	C	211	LYS	1	0.941	0.973	46.460	-24.410	-24.410	0.000	0.000	0.000	0.000
645	C	212	ILE	0	-0.027	-0.008	47.760	-0.529	-0.529	0.000	0.000	0.000	0.000
646	C	213	ILE	0	-0.010	0.003	43.882	-0.287	-0.287	0.000	0.000	0.000	0.000
647	C	214	ASP	-1	-0.840	-0.907	48.495	23.612	23.612	0.000	0.000	0.000	0.000
648	C	215	LYS	1	0.811	0.914	51.340	-22.019	-22.019	0.000	0.000	0.000	0.000
649	C	216	VAL	0	0.024	-0.008	50.529	-0.403	-0.403	0.000	0.000	0.000	0.000
650	C	217	GLU	-1	-0.817	-0.883	48.773	24.362	24.362	0.000	0.000	0.000	0.000
651	C	218	ASN	0	-0.069	-0.038	52.922	-0.415	-0.415	0.000	0.000	0.000	0.000
652	C	219	GLU	-1	-0.925	-0.937	56.023	20.931	20.931	0.000	0.000	0.000	0.000
653	C	220	THR	0	-0.062	-0.043	53.792	-0.169	-0.169	0.000	0.000	0.000	0.000
654	C	221	GLY	0	-0.044	-0.011	55.946	-0.158	-0.158	0.000	0.000	0.000	0.000
655	C	222	GLU	-1	-0.936	-0.972	51.325	23.340	23.340	0.000	0.000	0.000	0.000
656	C	223	LYS	1	0.918	0.971	47.818	-23.761	-23.761	0.000	0.000	0.000	0.000
657	C	224	LYS	1	0.857	0.937	46.302	-24.260	-24.260	0.000	0.000	0.000	0.000
658	C	225	THR	0	-0.020	-0.015	40.912	0.491	0.491	0.000	0.000	0.000	0.000
659	C	226	TRP	0	0.018	-0.009	37.995	-0.488	-0.488	0.000	0.000	0.000	0.000
660	C	227	PHE	0	-0.053	-0.032	34.922	0.305	0.305	0.000	0.000	0.000	0.000
661	C	228	ALA	0	0.074	0.048	35.680	0.303	0.303	0.000	0.000	0.000	0.000
662	C	229	ASN	0	-0.006	-0.017	29.173	1.372	1.372	0.000	0.000	0.000	0.000
663	C	230	ILE	0	-0.004	0.000	28.931	-0.301	-0.301	0.000	0.000	0.000	0.000
664	C	231	THR	0	-0.021	-0.008	24.856	1.162	1.162	0.000	0.000	0.000	0.000
665	C	232	ALA	0	-0.026	-0.032	25.863	-0.904	-0.904	0.000	0.000	0.000	0.000
666	C	233	ASP	-1	-0.884	-0.935	22.743	48.462	48.462	0.000	0.000	0.000	0.000
667	C	234	LEU	0	0.028	0.003	23.724	-1.158	-1.158	0.000	0.000	0.000	0.000
668	C	235	LEU	0	0.053	0.035	25.484	-1.038	-1.038	0.000	0.000	0.000	0.000
669	C	236	GLU	-1	-0.897	-0.960	28.083	38.045	38.045	0.000	0.000	0.000	0.000
670	C	237	MET	0	-0.106	-0.042	24.161	-1.010	-1.010	0.000	0.000	0.000	0.000
671	C	238	GLU	-1	-0.801	-0.833	29.001	37.905	37.905	0.000	0.000	0.000	0.000
672	C	239	GLN	0	0.028	0.006	31.321	-0.802	-0.802	0.000	0.000	0.000	0.000
673	C	240	ARG	1	0.793	0.880	30.883	-37.151	-37.151	0.000	0.000	0.000	0.000
674	C	241	LEU	0	-0.005	-0.011	30.558	-0.829	-0.829	0.000	0.000	0.000	0.000
675	C	242	GLU	-1	-0.932	-0.955	34.602	30.011	30.011	0.000	0.000	0.000	0.000
676	C	243	VAL	0	0.008	0.006	37.305	-0.905	-0.905	0.000	0.000	0.000	0.000
677	C	244	LEU	0	-0.087	-0.044	35.383	-0.753	-0.753	0.000	0.000	0.000	0.000
678	C	245	ALA	0	0.016	0.007	38.855	-0.738	-0.738	0.000	0.000	0.000	0.000
679	C	246	ASP	-1	-0.899	-0.932	40.583	27.580	27.580	0.000	0.000	0.000	0.000
680	C	247	LEU	0	-0.098	-0.046	42.126	-0.807	-0.807	0.000	0.000	0.000	0.000
681	C	248	GLY	0	-0.055	-0.022	43.767	-0.545	-0.545	0.000	0.000	0.000	0.000
682	C	249	LEU	0	-0.072	-0.028	41.028	-0.184	-0.184	0.000	0.000	0.000	0.000
683	C	250	LYS	1	0.876	0.922	41.025	-25.835	-25.835	0.000	0.000	0.000	0.000
684	C	251	HIS	1	0.754	0.856	36.243	-30.301	-30.301	0.000	0.000	0.000	0.000
685	C	252	ALA	0	0.104	0.073	32.980	-0.287	-0.287	0.000	0.000	0.000	0.000
686	C	253	MET	0	-0.087	-0.023	30.292	0.046	0.046	0.000	0.000	0.000	0.000
687	C	254	VAL	0	0.030	0.017	25.501	0.155	0.155	0.000	0.000	0.000	0.000
688	C	255	ASP	-1	-0.807	-0.916	24.313	41.686	41.686	0.000	0.000	0.000	0.000
689	C	256	VAL	0	-0.028	-0.017	23.219	1.894	1.894	0.000	0.000	0.000	0.000
690	C	257	VAL	0	-0.074	-0.032	18.271	1.896	1.896	0.000	0.000	0.000	0.000
691	C	258	ILE	0	-0.024	0.004	18.412	2.994	2.994	0.000	0.000	0.000	0.000
692	C	259	THR	0	0.022	-0.005	19.033	1.349	1.349	0.000	0.000	0.000	0.000
693	C	260	GLY	0	-0.012	0.005	17.598	1.477	1.477	0.000	0.000	0.000	0.000
694	C	261	TRP	0	-0.026	-0.038	15.057	-3.970	-3.970	0.000	0.000	0.000	0.000
695	C	262	GLY	0	0.013	0.021	17.323	-1.253	-1.253	0.000	0.000	0.000	0.000
696	C	263	ALA	0	0.064	0.026	18.063	-1.438	-1.438	0.000	0.000	0.000	0.000
697	C	264	LEU	0	-0.045	-0.009	21.433	-2.268	-2.268	0.000	0.000	0.000	0.000
698	C	265	ARG	1	0.913	0.939	22.856	-46.134	-46.134	0.000	0.000	0.000	0.000
699	C	266	TYR	0	-0.023	-0.075	24.284	-1.220	-1.220	0.000	0.000	0.000	0.000
700	C	267	ILE	0	0.020	0.014	25.435	-1.555	-1.555	0.000	0.000	0.000	0.000
701	C	268	ARG	1	0.822	0.893	27.321	-39.238	-39.238	0.000	0.000	0.000	0.000
702	C	269	ASP	-1	-0.885	-0.948	28.415	38.503	38.503	0.000	0.000	0.000	0.000
703	C	270	LEU	0	0.034	0.034	30.134	-1.200	-1.200	0.000	0.000	0.000	0.000
704	C	271	ALA	0	-0.022	-0.020	31.740	-1.187	-1.187	0.000	0.000	0.000	0.000
705	C	272	ALA	0	-0.057	-0.028	33.180	-1.214	-1.214	0.000	0.000	0.000	0.000
706	C	273	ASP	-1	-0.911	-0.936	34.461	32.663	32.663	0.000	0.000	0.000	0.000
707	C	274	TYR	0	-0.050	-0.033	35.030	-0.822	-0.822	0.000	0.000	0.000	0.000
708	C	275	GLY	0	-0.067	-0.026	38.108	-0.799	-0.799	0.000	0.000	0.000	0.000
709	C	276	LEU	0	-0.060	-0.031	35.686	-0.473	-0.473	0.000	0.000	0.000	0.000
710	C	277	ALA	0	-0.051	-0.019	35.715	0.754	0.754	0.000	0.000	0.000	0.000
711	C	278	ILE	0	0.008	-0.012	29.623	0.105	0.105	0.000	0.000	0.000	0.000
712	C	279	HIS	0	-0.085	-0.068	32.247	-0.395	-0.395	0.000	0.000	0.000	0.000
713	C	280	GLY	0	0.037	0.006	28.385	0.621	0.621	0.000	0.000	0.000	0.000
714	C	281	HIS	0	0.249	0.186	27.597	0.861	0.861	0.000	0.000	0.000	0.000
715	C	282	ARG	1	0.785	0.845	23.972	-40.066	-40.066	0.000	0.000	0.000	0.000
716	C	283	ALA	0	0.058	0.030	23.268	1.729	1.729	0.000	0.000	0.000	0.000
717	C	284	MET	0	0.030	0.017	17.508	2.403	2.403	0.000	0.000	0.000	0.000
718	C	285	HIS	1	0.893	0.942	19.274	-44.652	-44.652	0.000	0.000	0.000	0.000
719	C	286	ALA	0	-0.042	-0.015	19.651	1.718	1.718	0.000	0.000	0.000	0.000
720	C	287	ALA	0	-0.005	0.010	16.707	0.375	0.375	0.000	0.000	0.000	0.000
721	C	288	PHE	0	0.036	-0.005	14.978	2.661	2.661	0.000	0.000	0.000	0.000
722	C	289	THR	0	0.022	0.037	16.987	-0.110	-0.110	0.000	0.000	0.000	0.000
723	C	290	ARG	1	0.766	0.897	20.252	-45.865	-45.865	0.000	0.000	0.000	0.000
724	C	291	ASN	0	0.026	0.016	18.200	-3.226	-3.226	0.000	0.000	0.000	0.000
725	C	292	PRO	0	0.042	0.020	20.163	2.023	2.023	0.000	0.000	0.000	0.000
726	C	293	TYR	0	-0.072	-0.049	19.772	-0.188	-0.188	0.000	0.000	0.000	0.000
727	C	294	HIS	0	-0.082	-0.050	11.718	0.041	0.041	0.000	0.000	0.000	0.000
728	C	295	GLY	0	0.031	0.025	14.919	-1.667	-1.667	0.000	0.000	0.000	0.000
729	C	296	ILE	0	-0.006	-0.006	13.702	0.546	0.546	0.000	0.000	0.000	0.000
730	C	297	SER	0	0.017	0.014	17.517	-2.609	-2.609	0.000	0.000	0.000	0.000
731	C	298	MET	0	0.022	0.013	21.206	1.158	1.158	0.000	0.000	0.000	0.000
732	C	299	PHE	0	0.006	0.011	23.422	-0.821	-0.821	0.000	0.000	0.000	0.000
733	C	300	VAL	0	0.019	0.018	18.544	-0.914	-0.914	0.000	0.000	0.000	0.000
734	C	301	LEU	0	0.007	0.001	18.665	-0.274	-0.274	0.000	0.000	0.000	0.000
735	C	302	ALA	0	-0.005	0.005	22.056	-0.917	-0.917	0.000	0.000	0.000	0.000
736	C	303	LYS	1	0.851	0.936	23.805	-47.034	-47.034	0.000	0.000	0.000	0.000
737	C	304	LEU	0	-0.007	-0.009	18.583	-0.940	-0.940	0.000	0.000	0.000	0.000
738	C	305	TYR	0	0.061	0.016	20.258	-0.587	-0.587	0.000	0.000	0.000	0.000
739	C	306	ARG	1	0.808	0.913	25.074	-37.979	-37.979	0.000	0.000	0.000	0.000
740	C	307	LEU	0	-0.033	-0.032	23.974	-1.330	-1.330	0.000	0.000	0.000	0.000
741	C	308	ILE	0	0.006	0.002	21.463	-0.815	-0.815	0.000	0.000	0.000	0.000
742	C	309	GLY	0	-0.004	-0.002	25.928	-0.905	-0.905	0.000	0.000	0.000	0.000
743	C	310	ILE	0	-0.030	-0.008	26.429	-0.863	-0.863	0.000	0.000	0.000	0.000
744	C	311	ASP	-1	-0.735	-0.854	29.576	33.913	33.913	0.000	0.000	0.000	0.000
745	C	312	GLN	0	-0.008	0.005	32.354	-1.751	-1.751	0.000	0.000	0.000	0.000
746	C	313	LEU	0	0.029	0.031	26.102	1.109	1.109	0.000	0.000	0.000	0.000
747	C	314	HIS	0	0.018	0.037	28.913	-1.179	-1.179	0.000	0.000	0.000	0.000
748	C	315	VAL	0	-0.023	-0.020	28.541	1.529	1.529	0.000	0.000	0.000	0.000
749	C	316	GLY	0	0.045	0.023	30.146	0.596	0.596	0.000	0.000	0.000	0.000
750	C	317	THR	0	0.012	-0.003	31.462	-0.867	-0.867	0.000	0.000	0.000	0.000
751	C	318	ALA	0	0.008	0.007	33.726	-0.846	-0.846	0.000	0.000	0.000	0.000
752	C	319	GLY	0	0.005	0.007	34.225	-0.652	-0.652	0.000	0.000	0.000	0.000
753	C	320	ALA	0	-0.020	-0.004	35.550	-0.417	-0.417	0.000	0.000	0.000	0.000
754	C	321	GLY	0	0.056	0.028	35.631	-0.718	-0.718	0.000	0.000	0.000	0.000
755	C	322	LYS	1	0.861	0.942	32.529	-34.204	-34.204	0.000	0.000	0.000	0.000
756	C	323	LEU	0	-0.031	-0.011	28.729	0.686	0.686	0.000	0.000	0.000	0.000
757	C	324	GLU	-1	-0.976	-1.004	26.680	41.647	41.647	0.000	0.000	0.000	0.000
758	C	325	GLY	0	0.044	0.021	28.655	0.772	0.772	0.000	0.000	0.000	0.000
759	C	326	GLU	-1	-0.952	-0.967	30.009	35.393	35.393	0.000	0.000	0.000	0.000
760	C	327	ARG	1	0.980	0.975	32.570	-30.058	-30.058	0.000	0.000	0.000	0.000
761	C	328	ASP	-1	-0.858	-0.926	32.746	35.718	35.718	0.000	0.000	0.000	0.000
762	C	329	ILE	0	0.023	0.004	26.885	0.483	0.483	0.000	0.000	0.000	0.000
763	C	330	THR	0	-0.038	-0.017	30.330	0.582	0.582	0.000	0.000	0.000	0.000
764	C	331	ILE	0	0.011	0.007	32.039	-0.210	-0.210	0.000	0.000	0.000	0.000
765	C	332	GLN	0	0.049	0.033	29.915	0.120	0.120	0.000	0.000	0.000	0.000
766	C	333	ASN	0	-0.027	-0.021	27.665	1.276	1.276	0.000	0.000	0.000	0.000
767	C	334	ALA	0	0.018	0.009	29.859	0.050	0.050	0.000	0.000	0.000	0.000
768	C	335	ARG	1	0.776	0.852	32.900	-34.401	-34.401	0.000	0.000	0.000	0.000
769	C	336	ILE	0	-0.036	-0.003	27.515	-0.533	-0.533	0.000	0.000	0.000	0.000
770	C	337	LEU	0	-0.004	0.005	28.810	0.357	0.357	0.000	0.000	0.000	0.000
771	C	338	ARG	1	0.848	0.915	31.487	-32.470	-32.470	0.000	0.000	0.000	0.000
772	C	339	GLU	-1	-0.814	-0.869	34.573	32.603	32.603	0.000	0.000	0.000	0.000
773	C	340	SER	0	0.025	0.013	34.150	0.917	0.917	0.000	0.000	0.000	0.000
774	C	341	HIS	0	-0.105	-0.100	34.760	0.051	0.051	0.000	0.000	0.000	0.000
775	C	342	TYR	0	-0.002	0.013	30.064	-0.616	-0.616	0.000	0.000	0.000	0.000
776	C	343	LYS	1	0.924	0.947	33.145	-31.505	-31.505	0.000	0.000	0.000	0.000
777	C	344	PRO	0	0.037	0.043	31.155	-0.729	-0.729	0.000	0.000	0.000	0.000
778	C	345	ASP	-1	-0.872	-0.946	33.323	32.450	32.450	0.000	0.000	0.000	0.000
779	C	346	GLU	-1	-0.982	-1.000	34.726	31.574	31.574	0.000	0.000	0.000	0.000
780	C	347	ASN	0	-0.065	-0.038	35.147	0.829	0.829	0.000	0.000	0.000	0.000
781	C	348	ASP	-1	-0.776	-0.830	29.749	41.025	41.025	0.000	0.000	0.000	0.000
782	C	349	VAL	0	-0.004	-0.014	27.803	0.216	0.216	0.000	0.000	0.000	0.000
783	C	350	PHE	0	-0.052	-0.039	25.127	1.825	1.825	0.000	0.000	0.000	0.000
784	C	351	HIS	1	0.819	0.885	25.234	-41.179	-41.179	0.000	0.000	0.000	0.000
785	C	352	LEU	0	0.015	0.002	24.696	-1.202	-1.202	0.000	0.000	0.000	0.000
786	C	353	GLU	-1	-0.903	-0.935	28.269	34.623	34.623	0.000	0.000	0.000	0.000
787	C	354	GLN	0	0.010	-0.003	26.620	2.672	2.672	0.000	0.000	0.000	0.000
788	C	355	LYS	1	0.852	0.946	30.371	-34.214	-34.214	0.000	0.000	0.000	0.000
789	C	356	PHE	0	0.096	0.031	28.321	1.059	1.059	0.000	0.000	0.000	0.000
790	C	357	TYR	0	-0.062	-0.044	31.787	-0.589	-0.589	0.000	0.000	0.000	0.000
791	C	358	SER	0	0.024	0.000	34.713	-0.609	-0.609	0.000	0.000	0.000	0.000
792	C	359	ILE	0	-0.002	0.033	30.065	-0.528	-0.528	0.000	0.000	0.000	0.000
793	C	360	LYS	1	0.919	0.963	33.269	-31.520	-31.520	0.000	0.000	0.000	0.000
794	C	361	ALA	0	0.005	0.025	33.578	1.063	1.063	0.000	0.000	0.000	0.000
795	C	362	ALA	0	0.047	0.035	31.860	-0.547	-0.547	0.000	0.000	0.000	0.000
796	C	363	PHE	0	0.032	-0.016	33.791	-0.318	-0.318	0.000	0.000	0.000	0.000
797	C	364	PRO	0	-0.030	-0.005	33.046	0.760	0.760	0.000	0.000	0.000	0.000
798	C	365	THR	0	-0.028	-0.005	32.854	-1.312	-1.312	0.000	0.000	0.000	0.000
799	C	366	SER	0	-0.034	-0.018	33.115	0.820	0.820	0.000	0.000	0.000	0.000
800	C	367	SER	0	0.033	-0.025	33.432	-1.251	-1.251	0.000	0.000	0.000	0.000
801	C	368	GLY	0	0.078	0.042	33.537	0.924	0.924	0.000	0.000	0.000	0.000
802	C	369	GLY	0	-0.067	-0.039	34.803	0.077	0.077	0.000	0.000	0.000	0.000
803	C	370	LEU	0	-0.031	-0.006	37.753	-0.479	-0.479	0.000	0.000	0.000	0.000
804	C	371	HIS	0	-0.029	0.077	40.119	-0.576	-0.576	0.000	0.000	0.000	0.000
805	C	372	PRO	0	-0.019	-0.021	43.863	0.115	0.115	0.000	0.000	0.000	0.000
806	C	373	GLY	0	0.025	-0.053	46.269	-0.309	-0.309	0.000	0.000	0.000	0.000
807	C	374	ASN	0	-0.007	-0.021	40.569	-0.365	-0.365	0.000	0.000	0.000	0.000
808	C	375	ILE	0	0.079	0.019	41.766	0.702	0.702	0.000	0.000	0.000	0.000
809	C	376	GLN	0	-0.002	0.005	43.240	0.488	0.488	0.000	0.000	0.000	0.000
810	C	377	PRO	0	0.016	-0.001	41.515	0.064	0.064	0.000	0.000	0.000	0.000
811	C	378	VAL	0	-0.043	-0.007	38.257	0.756	0.756	0.000	0.000	0.000	0.000
812	C	379	ILE	0	-0.004	-0.014	40.548	0.344	0.344	0.000	0.000	0.000	0.000
813	C	380	GLU	-1	-0.969	-0.968	42.892	27.023	27.023	0.000	0.000	0.000	0.000
814	C	381	ALA	0	-0.042	-0.021	38.535	0.130	0.130	0.000	0.000	0.000	0.000
815	C	382	LEU	0	0.015	-0.002	35.667	0.497	0.497	0.000	0.000	0.000	0.000
816	C	383	GLY	0	0.012	0.024	39.253	0.280	0.280	0.000	0.000	0.000	0.000
817	C	384	THR	0	0.023	-0.010	42.119	0.271	0.271	0.000	0.000	0.000	0.000
818	C	385	ASP	-1	-0.854	-0.896	40.022	28.399	28.399	0.000	0.000	0.000	0.000
819	C	386	ILE	0	-0.051	-0.026	37.645	1.037	1.037	0.000	0.000	0.000	0.000
820	C	387	VAL	0	0.006	0.003	36.786	-0.933	-0.933	0.000	0.000	0.000	0.000
821	C	388	LEU	0	0.008	-0.009	37.538	0.749	0.749	0.000	0.000	0.000	0.000
822	C	389	GLN	0	0.015	0.001	36.029	-1.062	-1.062	0.000	0.000	0.000	0.000
823	C	390	LEU	0	-0.065	-0.016	38.536	0.162	0.162	0.000	0.000	0.000	0.000
824	C	391	GLY	0	0.179	0.115	39.214	-0.654	-0.654	0.000	0.000	0.000	0.000
825	C	392	GLY	0	0.018	0.017	39.606	-0.920	-0.920	0.000	0.000	0.000	0.000
826	C	393	GLY	0	-0.057	-0.034	41.389	-0.735	-0.735	0.000	0.000	0.000	0.000
827	C	394	THR	0	-0.060	-0.040	43.412	-0.790	-0.790	0.000	0.000	0.000	0.000
828	C	395	LEU	0	-0.011	-0.002	41.892	-0.724	-0.724	0.000	0.000	0.000	0.000
829	C	396	GLY	0	-0.013	0.004	44.875	-0.481	-0.481	0.000	0.000	0.000	0.000
830	C	397	HIS	0	-0.051	-0.015	46.227	0.132	0.132	0.000	0.000	0.000	0.000
831	C	398	PRO	0	0.063	0.029	49.030	-0.458	-0.458	0.000	0.000	0.000	0.000
832	C	399	ASP	-1	-0.966	-0.993	52.769	21.145	21.145	0.000	0.000	0.000	0.000
833	C	400	GLY	0	0.001	0.004	51.352	-0.196	-0.196	0.000	0.000	0.000	0.000
834	C	401	PRO	0	0.062	0.017	47.891	-0.055	-0.055	0.000	0.000	0.000	0.000
835	C	402	ALA	0	0.028	0.021	49.389	0.099	0.099	0.000	0.000	0.000	0.000
836	C	403	ALA	0	-0.019	-0.006	51.979	-0.098	-0.098	0.000	0.000	0.000	0.000
837	C	404	GLY	0	0.076	0.041	48.896	-0.018	-0.018	0.000	0.000	0.000	0.000
838	C	405	ALA	0	0.016	0.015	48.252	0.189	0.189	0.000	0.000	0.000	0.000
839	C	406	ARG	1	0.870	0.918	49.213	-21.778	-21.778	0.000	0.000	0.000	0.000
840	C	407	ALA	0	-0.037	-0.012	50.391	-0.189	-0.189	0.000	0.000	0.000	0.000
841	C	408	VAL	0	0.020	0.019	45.337	-0.088	-0.088	0.000	0.000	0.000	0.000
842	C	409	ARG	1	0.886	0.938	48.479	-23.808	-23.808	0.000	0.000	0.000	0.000
843	C	410	GLN	0	0.010	0.018	50.251	-0.317	-0.317	0.000	0.000	0.000	0.000
844	C	411	ALA	0	-0.020	-0.025	49.126	-0.195	-0.195	0.000	0.000	0.000	0.000
845	C	412	ILE	0	0.008	-0.001	45.348	0.149	0.149	0.000	0.000	0.000	0.000
846	C	413	ASP	-1	-0.930	-0.955	49.267	22.958	22.958	0.000	0.000	0.000	0.000
847	C	414	ALA	0	-0.052	-0.029	52.368	-0.292	-0.292	0.000	0.000	0.000	0.000
848	C	415	ILE	0	-0.002	-0.004	46.616	-0.127	-0.127	0.000	0.000	0.000	0.000
849	C	416	MET	0	-0.064	-0.027	49.290	0.220	0.220	0.000	0.000	0.000	0.000
850	C	417	GLN	0	-0.035	-0.014	51.372	-0.622	-0.622	0.000	0.000	0.000	0.000
851	C	418	GLY	0	-0.017	0.007	52.868	-0.312	-0.312	0.000	0.000	0.000	0.000
852	C	419	ILE	0	-0.072	-0.032	53.881	-0.270	-0.270	0.000	0.000	0.000	0.000
853	C	420	PRO	0	0.035	0.014	53.139	0.186	0.186	0.000	0.000	0.000	0.000
854	C	421	LEU	0	0.081	0.044	49.354	-0.459	-0.459	0.000	0.000	0.000	0.000
855	C	422	ASP	-1	-0.850	-0.927	52.936	22.927	22.927	0.000	0.000	0.000	0.000
856	C	423	GLU	-1	-0.892	-0.933	55.260	19.796	19.796	0.000	0.000	0.000	0.000
857	C	424	TYR	0	-0.003	-0.021	55.317	-0.541	-0.541	0.000	0.000	0.000	0.000
858	C	425	ALA	0	0.012	-0.003	55.443	-0.225	-0.225	0.000	0.000	0.000	0.000
859	C	426	LYS	1	0.837	0.915	57.244	-20.158	-20.158	0.000	0.000	0.000	0.000
860	C	427	THR	0	-0.081	-0.028	60.433	-0.408	-0.408	0.000	0.000	0.000	0.000
861	C	428	HIS	1	0.847	0.915	57.284	-21.000	-21.000	0.000	0.000	0.000	0.000
862	C	429	LYS	1	1.012	1.024	57.750	-19.991	-19.991	0.000	0.000	0.000	0.000
863	C	430	GLU	-1	-0.851	-0.921	54.034	21.370	21.370	0.000	0.000	0.000	0.000
864	C	431	LEU	0	0.074	0.033	51.945	0.323	0.323	0.000	0.000	0.000	0.000
865	C	432	ALA	0	0.060	0.037	53.176	0.357	0.357	0.000	0.000	0.000	0.000
866	C	433	ARG	1	0.715	0.851	54.652	-21.369	-21.369	0.000	0.000	0.000	0.000
867	C	434	ALA	0	0.013	0.011	49.822	0.243	0.243	0.000	0.000	0.000	0.000
868	C	435	LEU	0	-0.018	-0.020	50.414	0.315	0.315	0.000	0.000	0.000	0.000
869	C	436	GLU	-1	-0.902	-0.952	51.182	21.635	21.635	0.000	0.000	0.000	0.000
870	C	437	LYS	1	0.816	0.926	47.272	-25.124	-25.124	0.000	0.000	0.000	0.000
871	C	438	TRP	0	-0.022	-0.010	45.018	0.218	0.218	0.000	0.000	0.000	0.000
872	C	439	GLY	0	-0.030	-0.010	47.086	0.340	0.340	0.000	0.000	0.000	0.000
873	C	440	HIS	0	-0.030	-0.062	46.441	0.544	0.544	0.000	0.000	0.000	0.000
874	C	441	VAL	0	-0.027	-0.001	42.513	0.477	0.477	0.000	0.000	0.000	0.000
875	C	442	THR	0	-0.009	-0.001	37.730	-0.005	-0.005	0.000	0.000	0.000	0.000
876	C	443	PRO	0	-0.016	0.018	38.101	0.190	0.190	0.000	0.000	0.000	0.000
877	C	444	VAL	0	0.029	0.028	34.092	0.495	0.495	0.000	0.000	0.000	0.000
878	C	446	CAP	-4	-3.195	-3.667	28.395	140.676	140.676	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #438(A:446:CAP)