FMO DATABASE

FMODB ID: ZYV9N

Calculation Name: 5HQL-AB-Xray434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 5HQL

Chain ID: AB

ChEMBL ID:

UniProt ID: Q6N0W9

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	917
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-27370448.86006
FMO2-HF: Nuclear repulsion	27012927.487413
FMO2-HF: Total energy	-357521.372648
FMO2-MP2: Total energy	-358555.51711

3D Structure

Snapshot

Ligand structure

CAP

Ligand Interaction

Ligand binding energy

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-918.067	-895.421	128.503	-73.541	-77.609	-0.727

Interactive mode: IFIE and PIEDA for fragment #916(A:500:CAP)

Summations of interaction energy for fragment #916(A:500:CAP)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-918.067	-895.421	128.503	-73.541	-77.609	0.727

Interaction energy analysis for fragmet #916(A:500:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.148 / 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].
165	A	165	ILE	0	-0.003	-0.006	2.140	-8.393	-5.059	3.332	-2.537	-4.129	0.009
166	A	166	ILE	0	0.004	0.003	4.866	3.172	3.319	-0.001	-0.005	-0.141	0.000
167	A	167	LYS	1	0.854	0.915	2.123	-234.146	-231.405	8.352	-4.960	-6.134	0.069
169	A	169	LYS	1	0.793	0.903	4.147	-161.512	-160.879	0.000	-0.315	-0.318	0.001
192	A	192	KCX	-1	-0.523	-0.840	2.277	194.145	191.425	12.652	-2.657	-7.275	-0.050
194	A	194	ASP	0	0.154	0.040	4.231	6.582	6.707	-0.001	-0.040	-0.083	0.000
195	A	195	GLU	0	0.121	-0.048	4.308	-15.450	-15.148	-0.001	-0.058	-0.242	0.000
289	A	288	HIS	0	0.369	0.245	1.482	7.764	1.301	15.945	-5.229	-4.253	-0.004
290	A	289	ARG	1	0.818	0.879	1.745	-291.225	-291.261	23.399	-13.613	-9.750	0.181
291	A	290	ALA	0	0.054	0.029	4.610	1.494	1.586	-0.001	-0.019	-0.072	0.000
293	A	292	HIS	0	0.048	0.065	3.206	-36.497	-34.507	0.070	-1.071	-0.989	0.010
323	A	322	HIS	1	0.791	0.917	2.066	-231.146	-222.992	7.194	-8.026	-7.322	0.114
324	A	323	THR	0	0.028	0.013	4.493	-3.001	-2.786	-0.001	-0.047	-0.168	0.000
325	A	324	GLY	0	0.032	0.026	3.458	-11.246	-9.694	0.077	-0.805	-0.824	0.006
326	A	325	THR	0	-0.003	-0.005	4.352	-23.847	-23.625	0.002	-0.067	-0.158	0.000
331	A	330	LYS	1	0.719	0.846	2.022	-268.722	-264.055	6.472	-6.155	-4.983	0.074
332	A	331	ALA	0	-0.010	-0.002	4.167	-8.207	-7.949	0.006	-0.106	-0.158	0.000
369	A	368	ILE	0	-0.002	-0.009	5.106	18.318	18.566	-0.001	-0.006	-0.241	0.000
370	A	369	SER	0	-0.014	-0.022	2.540	-11.708	-6.224	1.680	-3.125	-4.040	0.001
371	A	370	GLY	0	0.100	0.049	2.327	5.384	9.388	4.624	-4.376	-4.252	0.019
372	A	371	GLY	0	-0.032	-0.025	1.796	-49.819	-55.441	13.170	-2.701	-4.847	0.074
373	A	372	MET	0	-0.018	0.000	3.431	-35.304	-34.853	0.070	0.188	-0.708	0.009
374	A	373	ASN	0	0.038	-0.006	5.038	3.972	4.116	-0.001	-0.005	-0.138	0.000
393	A	392	THR	0	-0.055	-0.018	4.291	-9.467	-9.276	-0.001	-0.022	-0.168	0.000
394	A	393	ALA	0	0.041	0.011	2.924	16.192	18.296	0.283	-1.183	-1.205	0.010
395	A	394	GLY	0	0.015	0.010	1.841	-48.730	-49.933	12.158	-6.754	-4.201	0.087
396	A	395	GLY	0	0.016	-0.013	1.743	-53.701	-59.666	13.824	-4.159	-3.700	0.066
397	A	396	GLY	0	-0.028	-0.011	3.722	-30.810	-29.967	0.028	-0.393	-0.477	0.004
511	B	54	THR	0	-0.025	0.005	2.258	-8.068	-4.608	1.888	-3.051	-2.298	0.040
512	B	55	ASN	0	-0.010	-0.024	4.284	-7.215	-6.831	0.003	-0.095	-0.292	0.000
513	B	56	VAL	0	-0.030	-0.011	4.926	-13.368	-13.243	-0.001	-0.002	-0.122	0.000
569	B	112	ASN	0	0.141	0.012	2.238	-9.443	-6.725	3.284	-2.144	-3.858	0.007
570	B	113	ASN	0	-0.026	-0.021	5.071	5.061	5.128	-0.001	-0.003	-0.063	0.000
1	A	1	MET	0	-0.025	-0.014	40.124	-0.082	-0.082	0.000	0.000	0.000	0.000
2	A	2	ASP	-1	-0.821	-0.865	39.766	29.469	29.469	0.000	0.000	0.000	0.000
3	A	3	GLN	0	0.015	0.002	37.638	-0.697	-0.697	0.000	0.000	0.000	0.000
4	A	4	SER	0	-0.002	-0.051	38.551	0.240	0.240	0.000	0.000	0.000	0.000
5	A	5	ASN	0	-0.033	-0.018	39.586	0.316	0.316	0.000	0.000	0.000	0.000
6	A	6	ARG	1	0.829	0.920	39.464	-29.699	-29.699	0.000	0.000	0.000	0.000
7	A	7	TYR	0	-0.011	-0.025	35.442	-0.047	-0.047	0.000	0.000	0.000	0.000
8	A	8	ALA	0	-0.016	-0.003	35.695	1.113	1.113	0.000	0.000	0.000	0.000
9	A	9	ASN	0	0.012	-0.004	36.860	-1.151	-1.151	0.000	0.000	0.000	0.000
10	A	10	LEU	0	0.011	0.001	35.345	0.466	0.466	0.000	0.000	0.000	0.000
11	A	11	ASN	0	-0.032	-0.004	37.769	0.067	0.067	0.000	0.000	0.000	0.000
12	A	12	LEU	0	-0.041	-0.008	36.377	-0.353	-0.353	0.000	0.000	0.000	0.000
13	A	13	LYS	1	0.991	0.999	36.439	-28.663	-28.663	0.000	0.000	0.000	0.000
14	A	14	GLU	-1	-0.709	-0.856	29.082	39.549	39.549	0.000	0.000	0.000	0.000
15	A	15	SER	0	0.024	0.000	32.896	0.390	0.390	0.000	0.000	0.000	0.000
16	A	16	GLU	-1	-0.962	-0.981	34.419	29.334	29.334	0.000	0.000	0.000	0.000
17	A	17	LEU	0	-0.011	0.003	32.678	-0.124	-0.124	0.000	0.000	0.000	0.000
18	A	18	ILE	0	-0.037	-0.014	29.156	0.284	0.284	0.000	0.000	0.000	0.000
19	A	19	ALA	0	-0.050	-0.024	32.097	0.102	0.102	0.000	0.000	0.000	0.000
20	A	20	GLY	0	-0.012	0.000	35.261	-0.440	-0.440	0.000	0.000	0.000	0.000
21	A	21	GLY	0	-0.011	-0.007	32.283	-0.296	-0.296	0.000	0.000	0.000	0.000
22	A	22	ARG	1	0.864	0.927	32.969	-32.333	-32.333	0.000	0.000	0.000	0.000
23	A	23	HIS	0	0.049	0.015	31.048	-0.031	-0.031	0.000	0.000	0.000	0.000
24	A	24	VAL	0	0.010	0.011	24.495	0.592	0.592	0.000	0.000	0.000	0.000
25	A	25	LEU	0	-0.053	0.001	26.221	-0.979	-0.979	0.000	0.000	0.000	0.000
26	A	26	CYS	0	-0.041	-0.003	23.261	2.287	2.287	0.000	0.000	0.000	0.000
27	A	27	ALA	0	0.040	0.033	22.373	-1.862	-1.862	0.000	0.000	0.000	0.000
28	A	28	TYR	0	-0.033	-0.074	21.540	2.312	2.312	0.000	0.000	0.000	0.000
29	A	29	ILE	0	0.017	0.021	20.911	-1.579	-1.579	0.000	0.000	0.000	0.000
30	A	30	MET	0	-0.034	-0.017	22.494	1.363	1.363	0.000	0.000	0.000	0.000
31	A	31	LYS	1	0.957	0.979	25.260	-41.290	-41.290	0.000	0.000	0.000	0.000
32	A	32	PRO	0	0.035	0.007	27.580	0.513	0.513	0.000	0.000	0.000	0.000
33	A	33	LYS	1	0.824	0.928	29.131	-38.470	-38.470	0.000	0.000	0.000	0.000
34	A	34	ALA	0	0.001	-0.008	31.635	-1.012	-1.012	0.000	0.000	0.000	0.000
35	A	35	GLY	0	-0.010	-0.011	34.772	0.013	0.013	0.000	0.000	0.000	0.000
36	A	36	PHE	0	-0.012	-0.003	34.658	-0.537	-0.537	0.000	0.000	0.000	0.000
37	A	37	GLY	0	0.019	0.020	36.708	-0.696	-0.696	0.000	0.000	0.000	0.000
38	A	38	ASN	0	0.050	0.025	36.138	1.146	1.146	0.000	0.000	0.000	0.000
39	A	39	PHE	0	0.096	0.060	29.074	0.282	0.282	0.000	0.000	0.000	0.000
40	A	40	ILE	0	0.039	0.011	33.509	0.737	0.737	0.000	0.000	0.000	0.000
41	A	41	GLN	0	-0.036	-0.022	35.732	0.557	0.557	0.000	0.000	0.000	0.000
42	A	42	THR	0	-0.012	-0.024	31.155	0.112	0.112	0.000	0.000	0.000	0.000
43	A	43	ALA	0	0.020	0.002	31.069	0.814	0.814	0.000	0.000	0.000	0.000
44	A	44	ALA	0	-0.023	0.001	32.110	0.525	0.525	0.000	0.000	0.000	0.000
45	A	45	HIS	1	0.765	0.876	33.723	-34.106	-34.106	0.000	0.000	0.000	0.000
46	A	46	PHE	0	0.065	0.005	24.368	0.238	0.238	0.000	0.000	0.000	0.000
47	A	47	VAL	0	-0.002	-0.006	29.729	0.845	0.845	0.000	0.000	0.000	0.000
48	A	48	ALA	0	-0.021	0.017	31.329	0.188	0.188	0.000	0.000	0.000	0.000
49	A	49	GLU	-1	-0.793	-0.895	30.148	34.598	34.598	0.000	0.000	0.000	0.000
50	A	50	SER	0	-0.015	0.008	27.301	1.568	1.568	0.000	0.000	0.000	0.000
51	A	51	SER	0	-0.041	-0.035	28.876	0.138	0.138	0.000	0.000	0.000	0.000
52	A	52	THR	0	-0.042	-0.062	31.585	-0.023	-0.023	0.000	0.000	0.000	0.000
53	A	53	GLY	0	-0.004	0.006	34.596	-0.959	-0.959	0.000	0.000	0.000	0.000
54	A	54	THR	0	-0.035	-0.030	34.826	0.861	0.861	0.000	0.000	0.000	0.000
55	A	55	ASN	0	-0.021	-0.020	36.253	-0.195	-0.195	0.000	0.000	0.000	0.000
56	A	56	VAL	0	-0.019	-0.019	37.725	-0.565	-0.565	0.000	0.000	0.000	0.000
57	A	57	GLU	-1	-0.870	-0.938	40.999	27.474	27.474	0.000	0.000	0.000	0.000
58	A	58	VAL	0	-0.038	-0.026	41.416	-0.205	-0.205	0.000	0.000	0.000	0.000
59	A	59	SER	0	-0.009	-0.009	44.253	-0.056	-0.056	0.000	0.000	0.000	0.000
60	A	60	THR	0	-0.023	-0.036	42.821	-0.383	-0.383	0.000	0.000	0.000	0.000
61	A	61	THR	0	-0.021	-0.002	42.168	0.480	0.480	0.000	0.000	0.000	0.000
62	A	62	ASP	-1	-0.853	-0.911	43.691	26.258	26.258	0.000	0.000	0.000	0.000
63	A	63	ASP	-1	-0.834	-0.939	43.889	25.443	25.443	0.000	0.000	0.000	0.000
64	A	64	PHE	0	-0.092	-0.038	39.760	0.192	0.192	0.000	0.000	0.000	0.000
65	A	65	THR	0	-0.003	-0.024	38.742	0.815	0.815	0.000	0.000	0.000	0.000
66	A	66	ARG	1	0.883	0.934	39.148	-25.422	-25.422	0.000	0.000	0.000	0.000
67	A	67	GLY	0	-0.050	-0.006	40.096	0.294	0.294	0.000	0.000	0.000	0.000
68	A	68	VAL	0	-0.049	-0.020	35.859	0.400	0.400	0.000	0.000	0.000	0.000
69	A	69	ASP	-1	-0.732	-0.810	35.115	31.388	31.388	0.000	0.000	0.000	0.000
70	A	70	ALA	0	-0.001	-0.002	31.031	0.222	0.222	0.000	0.000	0.000	0.000
71	A	71	LEU	0	-0.027	-0.020	32.607	-0.833	-0.833	0.000	0.000	0.000	0.000
72	A	72	VAL	0	0.006	0.011	31.245	1.126	1.126	0.000	0.000	0.000	0.000
73	A	73	TYR	0	-0.035	-0.037	28.963	-0.868	-0.868	0.000	0.000	0.000	0.000
74	A	74	GLU	-1	-0.871	-0.950	30.533	36.717	36.717	0.000	0.000	0.000	0.000
75	A	75	VAL	0	-0.062	-0.031	30.838	1.029	1.029	0.000	0.000	0.000	0.000
76	A	76	ASP	-1	-0.823	-0.929	29.749	36.084	36.084	0.000	0.000	0.000	0.000
77	A	77	GLU	-1	-0.925	-0.957	29.966	34.460	34.460	0.000	0.000	0.000	0.000
78	A	78	ALA	0	-0.050	-0.018	30.784	0.624	0.624	0.000	0.000	0.000	0.000
79	A	79	ASN	0	-0.050	-0.021	26.922	1.049	1.049	0.000	0.000	0.000	0.000
80	A	80	SER	0	-0.076	-0.033	25.718	1.810	1.810	0.000	0.000	0.000	0.000
81	A	81	LEU	0	-0.007	0.010	24.602	1.469	1.469	0.000	0.000	0.000	0.000
82	A	82	MET	0	-0.030	-0.007	26.109	-2.316	-2.316	0.000	0.000	0.000	0.000
83	A	83	LYS	1	0.819	0.917	26.208	-38.298	-38.298	0.000	0.000	0.000	0.000
84	A	84	ILE	0	0.005	-0.008	27.109	-1.494	-1.494	0.000	0.000	0.000	0.000
85	A	85	ALA	0	-0.020	-0.004	27.997	1.259	1.259	0.000	0.000	0.000	0.000
86	A	86	TYR	0	0.021	-0.030	25.603	-1.325	-1.325	0.000	0.000	0.000	0.000
87	A	87	PRO	0	0.031	0.026	29.968	0.713	0.713	0.000	0.000	0.000	0.000
88	A	88	ILE	0	0.007	-0.005	29.139	0.546	0.546	0.000	0.000	0.000	0.000
89	A	89	GLU	-1	-0.946	-0.989	30.792	33.364	33.364	0.000	0.000	0.000	0.000
90	A	90	LEU	0	-0.034	-0.009	30.286	-0.220	-0.220	0.000	0.000	0.000	0.000
91	A	91	PHE	0	-0.019	0.008	25.168	0.358	0.358	0.000	0.000	0.000	0.000
92	A	92	ASP	-1	-0.751	-0.891	27.542	36.804	36.804	0.000	0.000	0.000	0.000
93	A	93	ARG	1	0.830	0.912	27.807	-35.830	-35.830	0.000	0.000	0.000	0.000
94	A	94	ASN	0	-0.008	0.004	26.129	-0.611	-0.611	0.000	0.000	0.000	0.000
95	A	95	VAL	0	-0.050	-0.054	30.038	-1.065	-1.065	0.000	0.000	0.000	0.000
96	A	96	ILE	0	-0.063	-0.021	28.914	-1.067	-1.067	0.000	0.000	0.000	0.000
97	A	97	ASP	-1	-0.773	-0.891	28.641	39.501	39.501	0.000	0.000	0.000	0.000
98	A	98	GLY	0	-0.020	-0.002	31.712	0.102	0.102	0.000	0.000	0.000	0.000
99	A	99	ARG	1	0.822	0.917	26.698	-38.619	-38.619	0.000	0.000	0.000	0.000
100	A	100	ALA	0	-0.022	-0.013	24.864	-0.638	-0.638	0.000	0.000	0.000	0.000
101	A	101	MET	0	-0.020	0.019	22.789	0.993	0.993	0.000	0.000	0.000	0.000
102	A	102	ILE	0	-0.002	-0.014	17.003	-0.739	-0.739	0.000	0.000	0.000	0.000
103	A	103	ALA	0	0.029	0.012	20.232	0.390	0.390	0.000	0.000	0.000	0.000
104	A	104	SER	0	0.029	0.042	21.162	-0.985	-0.985	0.000	0.000	0.000	0.000
105	A	105	PHE	0	0.018	-0.005	18.355	-0.926	-0.926	0.000	0.000	0.000	0.000
106	A	106	LEU	0	-0.008	-0.002	16.183	-0.036	-0.036	0.000	0.000	0.000	0.000
107	A	107	THR	0	-0.023	-0.005	20.340	0.388	0.388	0.000	0.000	0.000	0.000
108	A	108	LEU	0	-0.022	-0.012	23.358	-0.987	-0.987	0.000	0.000	0.000	0.000
109	A	109	THR	0	-0.037	-0.017	21.507	0.206	0.206	0.000	0.000	0.000	0.000
110	A	110	ILE	0	-0.063	0.015	18.033	0.116	0.116	0.000	0.000	0.000	0.000
111	A	111	GLY	0	0.122	0.066	20.486	1.851	1.851	0.000	0.000	0.000	0.000
112	A	112	ASN	0	0.118	0.015	22.915	1.899	1.899	0.000	0.000	0.000	0.000
113	A	113	ASN	0	-0.035	-0.022	23.619	1.013	1.013	0.000	0.000	0.000	0.000
114	A	114	GLN	0	-0.001	-0.011	20.162	1.968	1.968	0.000	0.000	0.000	0.000
115	A	115	GLY	0	-0.006	-0.009	23.354	1.039	1.039	0.000	0.000	0.000	0.000
116	A	116	MET	0	-0.071	-0.011	26.079	-1.053	-1.053	0.000	0.000	0.000	0.000
117	A	117	GLY	0	0.060	0.038	28.748	0.695	0.695	0.000	0.000	0.000	0.000
118	A	118	ASP	-1	-0.852	-0.934	31.238	35.405	35.405	0.000	0.000	0.000	0.000
119	A	119	VAL	0	-0.013	-0.006	26.317	-0.215	-0.215	0.000	0.000	0.000	0.000
120	A	120	GLU	-1	-0.949	-0.964	25.944	41.962	41.962	0.000	0.000	0.000	0.000
121	A	121	TYR	0	-0.010	-0.027	21.846	1.567	1.567	0.000	0.000	0.000	0.000
122	A	122	ALA	0	0.026	0.008	22.189	-1.603	-1.603	0.000	0.000	0.000	0.000
123	A	123	LYS	1	0.826	0.937	13.287	-70.455	-70.455	0.000	0.000	0.000	0.000
124	A	124	MET	0	0.001	0.004	18.042	-0.704	-0.704	0.000	0.000	0.000	0.000
125	A	125	TYR	0	-0.021	-0.040	16.866	4.029	4.029	0.000	0.000	0.000	0.000
126	A	126	ASP	-1	-0.753	-0.891	17.385	56.354	56.354	0.000	0.000	0.000	0.000
127	A	127	PHE	0	-0.003	-0.019	16.789	-1.792	-1.792	0.000	0.000	0.000	0.000
128	A	128	TYR	0	0.022	0.019	21.429	1.200	1.200	0.000	0.000	0.000	0.000
129	A	129	VAL	0	0.011	0.002	22.630	-1.092	-1.092	0.000	0.000	0.000	0.000
130	A	130	PRO	0	0.037	0.038	25.077	-0.074	-0.074	0.000	0.000	0.000	0.000
131	A	131	PRO	0	0.104	0.029	27.916	0.572	0.572	0.000	0.000	0.000	0.000
132	A	132	ALA	0	-0.057	-0.031	29.265	0.308	0.308	0.000	0.000	0.000	0.000
133	A	133	TYR	0	0.028	0.005	24.276	-0.035	-0.035	0.000	0.000	0.000	0.000
134	A	134	LEU	0	0.034	0.021	22.883	0.703	0.703	0.000	0.000	0.000	0.000
135	A	135	LYS	1	0.920	0.960	25.107	-35.046	-35.046	0.000	0.000	0.000	0.000
136	A	136	LEU	0	-0.098	-0.044	27.209	-0.766	-0.766	0.000	0.000	0.000	0.000
137	A	137	PHE	0	0.024	0.012	21.346	0.021	0.021	0.000	0.000	0.000	0.000
138	A	138	ASP	-1	-0.823	-0.888	21.160	47.287	47.287	0.000	0.000	0.000	0.000
139	A	139	GLY	0	0.035	0.031	19.843	-0.973	-0.973	0.000	0.000	0.000	0.000
140	A	140	PRO	0	-0.008	0.004	17.066	-0.695	-0.695	0.000	0.000	0.000	0.000
141	A	141	SER	0	-0.050	-0.048	19.235	-1.798	-1.798	0.000	0.000	0.000	0.000
142	A	142	THR	0	-0.050	-0.008	18.735	-2.033	-2.033	0.000	0.000	0.000	0.000
143	A	143	THR	0	0.014	0.005	17.336	2.371	2.371	0.000	0.000	0.000	0.000
144	A	144	ILE	0	0.078	0.028	14.650	-0.606	-0.606	0.000	0.000	0.000	0.000
145	A	145	LYS	1	0.946	0.989	17.336	-49.246	-49.246	0.000	0.000	0.000	0.000
146	A	146	ASP	-1	-0.826	-0.918	20.555	50.154	50.154	0.000	0.000	0.000	0.000
147	A	147	LEU	0	0.037	0.031	14.942	-0.961	-0.961	0.000	0.000	0.000	0.000
148	A	148	TRP	0	-0.020	-0.009	18.133	-2.293	-2.293	0.000	0.000	0.000	0.000
149	A	149	ARG	1	0.848	0.900	21.346	-48.616	-48.616	0.000	0.000	0.000	0.000
150	A	150	VAL	0	-0.013	0.005	20.881	-1.669	-1.669	0.000	0.000	0.000	0.000
151	A	151	LEU	0	-0.055	-0.031	17.613	-0.648	-0.648	0.000	0.000	0.000	0.000
152	A	152	GLY	0	-0.006	0.017	22.071	-0.886	-0.886	0.000	0.000	0.000	0.000
153	A	153	ARG	1	0.784	0.897	17.571	-62.201	-62.201	0.000	0.000	0.000	0.000
154	A	154	PRO	0	0.012	0.000	24.603	-0.897	-0.897	0.000	0.000	0.000	0.000
155	A	155	VAL	0	0.001	-0.006	23.949	1.780	1.780	0.000	0.000	0.000	0.000
156	A	156	ILE	0	0.004	-0.004	23.762	0.935	0.935	0.000	0.000	0.000	0.000
157	A	157	ASN	0	0.009	0.006	21.565	0.831	0.831	0.000	0.000	0.000	0.000
158	A	158	GLY	0	0.047	0.030	21.661	-0.861	-0.861	0.000	0.000	0.000	0.000
159	A	159	GLY	0	-0.003	0.005	19.780	0.064	0.064	0.000	0.000	0.000	0.000
160	A	160	PHE	0	0.043	0.020	10.950	1.592	1.592	0.000	0.000	0.000	0.000
161	A	161	ILE	0	-0.012	-0.002	13.098	-3.083	-3.083	0.000	0.000	0.000	0.000
162	A	162	VAL	0	-0.010	0.009	11.144	7.024	7.024	0.000	0.000	0.000	0.000
163	A	163	GLY	0	0.068	0.017	9.414	-5.229	-5.229	0.000	0.000	0.000	0.000
164	A	164	THR	0	-0.043	-0.034	6.024	8.825	8.825	0.000	0.000	0.000	0.000
168	A	168	PRO	0	0.027	0.036	7.219	-7.220	-7.220	0.000	0.000	0.000	0.000
170	A	170	LEU	0	-0.025	-0.022	7.285	-5.486	-5.486	0.000	0.000	0.000	0.000
171	A	171	GLY	0	0.050	0.018	10.844	0.077	0.077	0.000	0.000	0.000	0.000
172	A	172	LEU	0	-0.025	0.010	11.772	-4.959	-4.959	0.000	0.000	0.000	0.000
173	A	173	ARG	1	0.940	0.980	14.656	-55.254	-55.254	0.000	0.000	0.000	0.000
174	A	174	PRO	0	0.056	0.013	16.920	1.768	1.768	0.000	0.000	0.000	0.000
175	A	175	GLN	0	0.004	0.003	17.702	0.534	0.534	0.000	0.000	0.000	0.000
176	A	176	PRO	0	-0.001	-0.009	16.731	0.425	0.425	0.000	0.000	0.000	0.000
177	A	177	PHE	0	0.059	0.043	10.576	2.208	2.208	0.000	0.000	0.000	0.000
178	A	178	ALA	0	0.023	0.005	14.263	2.679	2.679	0.000	0.000	0.000	0.000
179	A	179	ASN	0	-0.026	-0.022	16.682	-1.335	-1.335	0.000	0.000	0.000	0.000
180	A	180	ALA	0	0.066	0.051	11.964	-0.067	-0.067	0.000	0.000	0.000	0.000
181	A	181	CYS	0	-0.056	-0.013	13.116	3.325	3.325	0.000	0.000	0.000	0.000
182	A	182	TYR	0	-0.043	-0.026	14.075	-0.821	-0.821	0.000	0.000	0.000	0.000
183	A	183	ASP	-1	-0.898	-0.957	14.854	61.683	61.683	0.000	0.000	0.000	0.000
184	A	184	PHE	0	-0.036	-0.020	9.693	0.136	0.136	0.000	0.000	0.000	0.000
185	A	185	TRP	0	0.040	-0.003	13.657	-1.589	-1.589	0.000	0.000	0.000	0.000
186	A	186	LEU	0	-0.034	-0.004	16.095	-3.094	-3.094	0.000	0.000	0.000	0.000
187	A	187	GLY	0	-0.074	-0.034	16.218	-2.742	-2.742	0.000	0.000	0.000	0.000
188	A	188	GLY	0	-0.028	-0.003	13.270	0.618	0.618	0.000	0.000	0.000	0.000
189	A	189	ASP	-1	-0.767	-0.853	13.584	64.917	64.917	0.000	0.000	0.000	0.000
190	A	190	PHE	0	-0.017	-0.018	8.481	-2.386	-2.386	0.000	0.000	0.000	0.000
191	A	191	ILE	0	-0.005	0.011	8.906	6.660	6.660	0.000	0.000	0.000	0.000
193	A	193	ASN	0	0.063	0.001	6.876	-0.439	-0.439	0.000	0.000	0.000	0.000
197	A	196	PRO	0	-0.029	0.019	5.968	-9.408	-9.408	0.000	0.000	0.000	0.000
198	A	197	GLN	0	-0.067	-0.009	8.029	-11.089	-11.089	0.000	0.000	0.000	0.000
199	A	198	GLY	0	0.037	0.011	10.593	0.917	0.917	0.000	0.000	0.000	0.000
200	A	199	ASN	0	-0.064	-0.029	14.058	-2.541	-2.541	0.000	0.000	0.000	0.000
201	A	200	GLN	0	0.021	0.018	13.137	-2.845	-2.845	0.000	0.000	0.000	0.000
202	A	201	VAL	0	0.007	-0.003	17.302	-1.569	-1.569	0.000	0.000	0.000	0.000
203	A	202	PHE	0	-0.019	-0.009	14.650	-2.438	-2.438	0.000	0.000	0.000	0.000
204	A	203	ALA	0	-0.048	-0.043	15.809	-0.201	-0.201	0.000	0.000	0.000	0.000
205	A	204	PRO	0	0.032	0.037	17.215	1.741	1.741	0.000	0.000	0.000	0.000
206	A	205	PHE	0	0.098	0.041	16.650	-0.274	-0.274	0.000	0.000	0.000	0.000
207	A	206	LYS	1	0.904	0.961	18.776	-43.378	-43.378	0.000	0.000	0.000	0.000
208	A	207	ASP	-1	-0.845	-0.916	21.320	45.945	45.945	0.000	0.000	0.000	0.000
209	A	208	THR	0	-0.005	-0.007	14.750	0.119	0.119	0.000	0.000	0.000	0.000
210	A	209	VAL	0	0.007	0.011	17.280	0.915	0.915	0.000	0.000	0.000	0.000
211	A	210	ARG	1	0.869	0.929	18.591	-45.597	-45.597	0.000	0.000	0.000	0.000
212	A	211	ALA	0	0.006	0.010	18.972	-0.742	-0.742	0.000	0.000	0.000	0.000
213	A	212	VAL	0	0.021	0.003	14.740	-0.147	-0.147	0.000	0.000	0.000	0.000
214	A	213	ALA	0	0.017	0.013	17.669	-0.088	-0.088	0.000	0.000	0.000	0.000
215	A	214	ASP	-1	-0.913	-0.957	20.510	45.525	45.525	0.000	0.000	0.000	0.000
216	A	215	ALA	0	-0.016	-0.014	18.005	-0.887	-0.887	0.000	0.000	0.000	0.000
217	A	216	MET	0	-0.009	0.013	17.257	-0.766	-0.766	0.000	0.000	0.000	0.000
218	A	217	ARG	1	0.936	0.971	19.785	-46.210	-46.210	0.000	0.000	0.000	0.000
219	A	218	ARG	1	0.898	0.953	20.441	-51.687	-51.687	0.000	0.000	0.000	0.000
220	A	219	ALA	0	0.021	0.002	19.667	-0.894	-0.894	0.000	0.000	0.000	0.000
221	A	220	GLN	0	-0.015	-0.009	21.144	1.160	1.160	0.000	0.000	0.000	0.000
222	A	221	ASP	-1	-0.970	-0.969	23.284	39.593	39.593	0.000	0.000	0.000	0.000
223	A	222	LYS	1	0.890	0.955	23.708	-44.529	-44.529	0.000	0.000	0.000	0.000
224	A	223	THR	0	-0.075	-0.063	20.761	-0.399	-0.399	0.000	0.000	0.000	0.000
225	A	224	GLY	0	0.010	0.022	24.156	-0.725	-0.725	0.000	0.000	0.000	0.000
226	A	225	GLU	-1	-0.960	-0.972	21.038	53.410	53.410	0.000	0.000	0.000	0.000
227	A	226	ALA	0	-0.012	-0.013	21.622	0.516	0.516	0.000	0.000	0.000	0.000
228	A	227	LYS	1	0.816	0.908	16.914	-57.759	-57.759	0.000	0.000	0.000	0.000
229	A	228	LEU	0	0.004	-0.003	14.611	-1.579	-1.579	0.000	0.000	0.000	0.000
230	A	229	PHE	0	-0.001	-0.018	11.063	3.641	3.641	0.000	0.000	0.000	0.000
231	A	230	SER	0	-0.018	-0.003	9.785	-2.870	-2.870	0.000	0.000	0.000	0.000
232	A	231	PHE	0	0.021	0.000	10.456	5.226	5.226	0.000	0.000	0.000	0.000
233	A	232	ASN	0	0.013	0.026	9.396	-1.745	-1.745	0.000	0.000	0.000	0.000
234	A	233	ILE	0	-0.040	-0.016	11.279	-4.058	-4.058	0.000	0.000	0.000	0.000
235	A	234	THR	0	0.012	-0.001	10.746	-3.544	-3.544	0.000	0.000	0.000	0.000
236	A	235	ALA	0	0.002	-0.022	13.556	-0.797	-0.797	0.000	0.000	0.000	0.000
237	A	236	ASP	-1	-0.772	-0.875	16.666	58.694	58.694	0.000	0.000	0.000	0.000
238	A	237	ASP	-1	-0.809	-0.909	19.129	43.886	43.886	0.000	0.000	0.000	0.000
239	A	238	HIS	1	0.946	0.962	20.813	-45.535	-45.535	0.000	0.000	0.000	0.000
240	A	239	TYR	0	0.018	-0.008	22.005	0.565	0.565	0.000	0.000	0.000	0.000
241	A	240	GLU	-1	-0.707	-0.819	19.212	51.621	51.621	0.000	0.000	0.000	0.000
242	A	241	MET	0	-0.056	-0.014	15.447	0.582	0.582	0.000	0.000	0.000	0.000
243	A	242	LEU	0	-0.037	-0.016	19.164	0.643	0.643	0.000	0.000	0.000	0.000
244	A	243	ALA	0	0.056	0.032	22.212	-0.233	-0.233	0.000	0.000	0.000	0.000
245	A	244	ARG	1	0.744	0.863	15.400	-61.282	-61.282	0.000	0.000	0.000	0.000
246	A	245	GLY	0	0.035	0.009	19.096	0.580	0.580	0.000	0.000	0.000	0.000
247	A	246	GLU	-1	-0.902	-0.964	19.916	43.055	43.055	0.000	0.000	0.000	0.000
248	A	247	PHE	0	0.029	0.013	21.397	-1.057	-1.057	0.000	0.000	0.000	0.000
249	A	248	ILE	0	-0.006	0.015	16.754	-0.373	-0.373	0.000	0.000	0.000	0.000
250	A	249	LEU	0	-0.035	-0.015	20.433	-0.353	-0.353	0.000	0.000	0.000	0.000
251	A	250	GLU	-1	-0.966	-0.974	22.911	39.411	39.411	0.000	0.000	0.000	0.000
252	A	251	THR	0	-0.089	-0.073	22.422	-1.185	-1.185	0.000	0.000	0.000	0.000
253	A	252	PHE	0	-0.069	-0.055	17.696	-0.026	-0.026	0.000	0.000	0.000	0.000
254	A	253	ALA	0	0.013	0.027	23.157	-0.555	-0.555	0.000	0.000	0.000	0.000
255	A	254	ASP	-1	-0.927	-0.963	26.024	42.680	42.680	0.000	0.000	0.000	0.000
256	A	255	ASN	0	-0.007	-0.007	21.729	0.611	0.611	0.000	0.000	0.000	0.000
257	A	256	ALA	0	0.026	0.012	21.447	2.775	2.775	0.000	0.000	0.000	0.000
258	A	257	ASP	-1	-0.875	-0.941	21.309	50.516	50.516	0.000	0.000	0.000	0.000
259	A	258	HIS	1	0.795	0.892	18.825	-50.830	-50.830	0.000	0.000	0.000	0.000
260	A	259	ILE	0	-0.004	0.001	16.390	3.897	3.897	0.000	0.000	0.000	0.000
261	A	260	ALA	0	-0.045	-0.015	13.118	-1.262	-1.262	0.000	0.000	0.000	0.000
262	A	261	PHE	0	0.006	0.007	13.596	0.323	0.323	0.000	0.000	0.000	0.000
263	A	262	LEU	0	-0.034	-0.021	5.692	1.263	1.263	0.000	0.000	0.000	0.000
264	A	263	VAL	0	0.014	-0.011	9.892	-4.455	-4.455	0.000	0.000	0.000	0.000
265	A	264	ASP	-1	-0.801	-0.919	7.246	111.921	111.921	0.000	0.000	0.000	0.000
266	A	265	GLY	0	-0.021	-0.021	9.279	-6.158	-6.158	0.000	0.000	0.000	0.000
267	A	266	TYR	0	-0.059	-0.013	8.342	-4.726	-4.726	0.000	0.000	0.000	0.000
268	A	267	VAL	0	-0.015	-0.003	9.792	-5.358	-5.358	0.000	0.000	0.000	0.000
269	A	268	ALA	0	0.013	-0.003	12.021	-5.552	-5.552	0.000	0.000	0.000	0.000
270	A	269	GLY	0	0.027	0.017	13.217	-4.832	-4.832	0.000	0.000	0.000	0.000
271	A	270	PRO	0	0.024	0.000	14.917	0.914	0.914	0.000	0.000	0.000	0.000
272	A	271	ALA	0	0.039	0.037	16.291	-0.798	-0.798	0.000	0.000	0.000	0.000
273	A	272	ALA	0	0.041	0.023	15.334	-1.672	-1.672	0.000	0.000	0.000	0.000
274	A	273	VAL	0	-0.010	-0.002	12.850	0.198	0.198	0.000	0.000	0.000	0.000
275	A	274	THR	0	0.040	0.014	15.593	-1.336	-1.336	0.000	0.000	0.000	0.000
276	A	275	THR	0	-0.039	-0.018	18.988	-3.203	-3.203	0.000	0.000	0.000	0.000
277	A	276	ALA	0	-0.002	-0.004	16.260	-1.871	-1.871	0.000	0.000	0.000	0.000
278	A	277	ARG	1	0.798	0.901	17.909	-54.033	-54.033	0.000	0.000	0.000	0.000
279	A	278	ARG	1	0.734	0.826	19.443	-46.799	-46.799	0.000	0.000	0.000	0.000
280	A	279	ALA	0	-0.024	0.006	21.671	-1.970	-1.970	0.000	0.000	0.000	0.000
281	A	280	PHE	0	-0.006	-0.005	19.396	-1.237	-1.237	0.000	0.000	0.000	0.000
282	A	281	PRO	0	0.049	0.043	20.351	2.090	2.090	0.000	0.000	0.000	0.000
283	A	282	LYS	1	0.911	0.972	22.076	-45.446	-45.446	0.000	0.000	0.000	0.000
284	A	283	GLN	0	-0.019	-0.005	18.220	-2.284	-2.284	0.000	0.000	0.000	0.000
285	A	284	TYR	0	-0.015	-0.021	12.225	2.591	2.591	0.000	0.000	0.000	0.000
286	A	285	LEU	0	0.006	0.004	13.406	2.147	2.147	0.000	0.000	0.000	0.000
287	A	286	HIS	0	0.016	-0.007	6.928	11.284	11.284	0.000	0.000	0.000	0.000
288	A	287	TYR	0	0.048	0.015	7.237	1.586	1.586	0.000	0.000	0.000	0.000
292	A	291	GLY	0	0.055	0.023	5.409	-12.425	-12.425	0.000	0.000	0.000	0.000
294	A	293	GLY	0	0.014	0.027	6.921	-8.407	-8.407	0.000	0.000	0.000	0.000
295	A	294	ALA	0	-0.008	0.004	8.128	-7.831	-7.831	0.000	0.000	0.000	0.000
296	A	295	VAL	0	-0.046	-0.034	10.981	-6.762	-6.762	0.000	0.000	0.000	0.000
297	A	296	THR	0	-0.049	-0.069	7.210	-4.249	-4.249	0.000	0.000	0.000	0.000
298	A	297	SER	0	-0.015	0.003	9.718	-4.101	-4.101	0.000	0.000	0.000	0.000
299	A	298	PRO	0	0.027	-0.004	10.332	-6.068	-6.068	0.000	0.000	0.000	0.000
300	A	299	GLN	0	-0.009	0.005	13.048	-3.303	-3.303	0.000	0.000	0.000	0.000
301	A	300	SER	0	-0.007	0.012	13.790	-5.523	-5.523	0.000	0.000	0.000	0.000
302	A	301	LYS	1	0.936	0.971	15.608	-53.463	-53.463	0.000	0.000	0.000	0.000
303	A	302	ARG	1	0.834	0.915	17.097	-53.033	-53.033	0.000	0.000	0.000	0.000
304	A	303	GLY	0	0.047	0.020	15.884	3.789	3.789	0.000	0.000	0.000	0.000
305	A	304	TYR	0	0.021	0.001	11.163	-1.392	-1.392	0.000	0.000	0.000	0.000
306	A	305	THR	0	0.060	0.029	12.152	5.403	5.403	0.000	0.000	0.000	0.000
307	A	306	ALA	0	0.075	0.022	7.722	0.370	0.370	0.000	0.000	0.000	0.000
308	A	307	PHE	0	0.038	0.024	9.490	2.134	2.134	0.000	0.000	0.000	0.000
309	A	308	VAL	0	0.025	0.018	12.386	-1.440	-1.440	0.000	0.000	0.000	0.000
310	A	309	LEU	0	-0.007	0.003	7.281	-1.590	-1.590	0.000	0.000	0.000	0.000
311	A	310	SER	0	0.010	-0.006	9.410	2.309	2.309	0.000	0.000	0.000	0.000
312	A	311	LYS	1	0.862	0.925	10.980	-57.601	-57.601	0.000	0.000	0.000	0.000
313	A	312	MET	0	-0.027	-0.015	13.613	-4.398	-4.398	0.000	0.000	0.000	0.000
314	A	313	ALA	0	-0.014	-0.001	10.967	-2.588	-2.588	0.000	0.000	0.000	0.000
315	A	314	ARG	1	0.780	0.901	13.027	-60.243	-60.243	0.000	0.000	0.000	0.000
316	A	315	LEU	0	-0.015	-0.026	15.444	-3.044	-3.044	0.000	0.000	0.000	0.000
317	A	316	GLN	0	-0.021	-0.026	13.209	-2.868	-2.868	0.000	0.000	0.000	0.000
318	A	317	GLY	0	0.008	0.019	16.560	-1.891	-1.891	0.000	0.000	0.000	0.000
319	A	318	ALA	0	-0.009	-0.008	11.952	-0.016	-0.016	0.000	0.000	0.000	0.000
320	A	319	SER	0	0.005	0.008	14.078	-1.907	-1.907	0.000	0.000	0.000	0.000
321	A	320	GLY	0	-0.003	-0.010	11.023	-1.331	-1.331	0.000	0.000	0.000	0.000
322	A	321	ILE	0	-0.005	0.001	6.881	-0.605	-0.605	0.000	0.000	0.000	0.000
327	A	326	MET	0	-0.032	-0.007	7.042	-15.336	-15.336	0.000	0.000	0.000	0.000
328	A	327	GLY	0	0.043	0.033	8.493	-9.030	-9.030	0.000	0.000	0.000	0.000
329	A	328	PHE	0	-0.026	-0.012	9.992	-5.233	-5.233	0.000	0.000	0.000	0.000
330	A	329	GLY	0	0.018	0.006	7.241	0.019	0.019	0.000	0.000	0.000	0.000
333	A	332	GLU	-1	-0.852	-0.907	5.979	83.318	83.318	0.000	0.000	0.000	0.000
334	A	333	GLY	0	-0.015	-0.008	6.190	12.790	12.790	0.000	0.000	0.000	0.000
335	A	334	GLU	-1	-0.965	-0.970	8.332	68.538	68.538	0.000	0.000	0.000	0.000
336	A	335	ALA	0	0.055	0.015	11.171	3.003	3.003	0.000	0.000	0.000	0.000
337	A	336	ALA	0	-0.003	-0.009	13.527	-0.554	-0.554	0.000	0.000	0.000	0.000
338	A	337	ASP	-1	-0.801	-0.903	9.038	95.816	95.816	0.000	0.000	0.000	0.000
339	A	338	ARG	1	0.916	0.956	11.644	-61.674	-61.674	0.000	0.000	0.000	0.000
340	A	339	ALA	0	-0.024	-0.020	13.455	-1.657	-1.657	0.000	0.000	0.000	0.000
341	A	340	ILE	0	-0.024	-0.013	9.618	-2.919	-2.919	0.000	0.000	0.000	0.000
342	A	341	ALA	0	-0.011	-0.004	11.396	-1.675	-1.675	0.000	0.000	0.000	0.000
343	A	342	TYR	0	0.021	-0.010	12.697	-2.849	-2.849	0.000	0.000	0.000	0.000
344	A	343	MET	0	-0.026	0.013	15.226	-3.966	-3.966	0.000	0.000	0.000	0.000
345	A	344	ILE	0	-0.043	-0.027	10.798	-1.791	-1.791	0.000	0.000	0.000	0.000
346	A	345	THR	0	-0.032	-0.015	14.293	0.378	0.378	0.000	0.000	0.000	0.000
347	A	346	GLU	-1	-0.890	-0.933	16.835	52.617	52.617	0.000	0.000	0.000	0.000
348	A	347	ASP	-1	-0.866	-0.924	20.240	45.615	45.615	0.000	0.000	0.000	0.000
349	A	348	ALA	0	0.012	0.001	23.151	-1.221	-1.221	0.000	0.000	0.000	0.000
350	A	349	ALA	0	-0.027	-0.010	19.791	1.023	1.023	0.000	0.000	0.000	0.000
351	A	350	ASP	-1	-0.888	-0.941	21.435	44.918	44.918	0.000	0.000	0.000	0.000
352	A	351	GLY	0	-0.003	-0.015	18.799	3.029	3.029	0.000	0.000	0.000	0.000
353	A	352	PRO	0	-0.085	-0.044	17.480	-1.801	-1.801	0.000	0.000	0.000	0.000
354	A	353	TYR	0	-0.032	-0.022	20.301	-2.374	-2.374	0.000	0.000	0.000	0.000
355	A	354	PHE	0	-0.033	0.007	22.318	-2.233	-2.233	0.000	0.000	0.000	0.000
356	A	355	HIS	1	0.860	0.943	22.819	-41.844	-41.844	0.000	0.000	0.000	0.000
357	A	356	GLN	0	-0.023	-0.011	21.239	-0.142	-0.142	0.000	0.000	0.000	0.000
358	A	357	GLU	-1	-0.822	-0.904	23.795	42.214	42.214	0.000	0.000	0.000	0.000
359	A	358	TRP	0	0.011	-0.027	17.950	0.353	0.353	0.000	0.000	0.000	0.000
360	A	359	LEU	0	-0.048	-0.024	24.019	-0.432	-0.432	0.000	0.000	0.000	0.000
361	A	360	GLY	0	0.005	0.005	25.900	-0.953	-0.953	0.000	0.000	0.000	0.000
362	A	361	MET	0	-0.056	-0.003	20.933	1.266	1.266	0.000	0.000	0.000	0.000
363	A	362	ASN	0	-0.023	-0.018	20.223	0.173	0.173	0.000	0.000	0.000	0.000
364	A	363	PRO	0	-0.003	0.007	17.200	1.105	1.105	0.000	0.000	0.000	0.000
365	A	364	THR	0	-0.028	-0.024	11.639	-1.050	-1.050	0.000	0.000	0.000	0.000
366	A	365	THR	0	-0.033	-0.019	11.539	-0.942	-0.942	0.000	0.000	0.000	0.000
367	A	366	PRO	0	0.042	0.015	8.973	5.126	5.126	0.000	0.000	0.000	0.000
368	A	367	ILE	0	-0.053	-0.006	6.224	-4.049	-4.049	0.000	0.000	0.000	0.000
375	A	374	ALA	0	0.019	-0.021	7.830	-4.421	-4.421	0.000	0.000	0.000	0.000
376	A	375	LEU	0	-0.002	-0.001	11.376	-4.856	-4.856	0.000	0.000	0.000	0.000
377	A	376	ARG	1	0.832	0.900	8.410	-112.782	-112.782	0.000	0.000	0.000	0.000
378	A	377	MET	0	-0.063	0.016	9.866	0.343	0.343	0.000	0.000	0.000	0.000
379	A	378	PRO	0	0.031	0.026	12.465	-1.496	-1.496	0.000	0.000	0.000	0.000
380	A	379	GLY	0	0.053	0.038	15.652	-2.149	-2.149	0.000	0.000	0.000	0.000
381	A	380	PHE	0	0.003	0.006	9.276	-0.680	-0.680	0.000	0.000	0.000	0.000
382	A	381	PHE	0	0.007	-0.019	13.206	-0.079	-0.079	0.000	0.000	0.000	0.000
383	A	382	ASP	-1	-0.890	-0.923	15.846	57.853	57.853	0.000	0.000	0.000	0.000
384	A	383	ASN	0	-0.088	-0.037	13.358	-6.271	-6.271	0.000	0.000	0.000	0.000
385	A	384	LEU	0	-0.061	-0.022	12.050	-1.263	-1.263	0.000	0.000	0.000	0.000
386	A	385	GLY	0	0.037	0.019	15.272	-2.875	-2.875	0.000	0.000	0.000	0.000
387	A	386	HIS	0	-0.033	-0.021	14.770	-4.073	-4.073	0.000	0.000	0.000	0.000
388	A	387	SER	0	0.010	0.002	15.383	2.945	2.945	0.000	0.000	0.000	0.000
389	A	388	ASN	0	-0.056	-0.035	16.120	0.601	0.601	0.000	0.000	0.000	0.000
390	A	389	LEU	0	-0.011	-0.007	10.666	0.301	0.301	0.000	0.000	0.000	0.000
391	A	390	ILE	0	-0.001	0.007	9.631	-3.206	-3.206	0.000	0.000	0.000	0.000
392	A	391	MET	0	-0.005	0.003	7.366	6.221	6.221	0.000	0.000	0.000	0.000
398	A	397	ALA	0	-0.043	-0.013	5.858	-18.877	-18.877	0.000	0.000	0.000	0.000
399	A	398	PHE	0	0.017	-0.021	6.443	-15.713	-15.713	0.000	0.000	0.000	0.000
400	A	399	GLY	0	0.042	0.018	7.252	-6.920	-6.920	0.000	0.000	0.000	0.000
401	A	400	HIS	0	-0.071	-0.022	8.502	-6.694	-6.694	0.000	0.000	0.000	0.000
402	A	401	VAL	0	-0.006	-0.014	11.389	-2.167	-2.167	0.000	0.000	0.000	0.000
403	A	402	ASP	-1	-0.865	-0.934	14.616	54.950	54.950	0.000	0.000	0.000	0.000
404	A	403	GLY	0	-0.001	0.004	13.268	-2.547	-2.547	0.000	0.000	0.000	0.000
405	A	404	GLY	0	0.044	0.010	11.006	2.158	2.158	0.000	0.000	0.000	0.000
406	A	405	ALA	0	0.022	0.018	11.998	2.387	2.387	0.000	0.000	0.000	0.000
407	A	406	ALA	0	0.016	0.007	14.868	-0.414	-0.414	0.000	0.000	0.000	0.000
408	A	407	GLY	0	0.101	0.054	10.874	0.069	0.069	0.000	0.000	0.000	0.000
409	A	408	ALA	0	0.021	0.060	11.233	2.264	2.264	0.000	0.000	0.000	0.000
410	A	409	LYS	1	0.946	0.969	12.129	-57.754	-57.754	0.000	0.000	0.000	0.000
411	A	410	SER	0	-0.093	-0.079	11.804	-0.520	-0.520	0.000	0.000	0.000	0.000
412	A	411	LEU	0	0.017	-0.019	7.843	-0.946	-0.946	0.000	0.000	0.000	0.000
413	A	412	ARG	1	0.800	0.856	11.843	-68.508	-68.508	0.000	0.000	0.000	0.000
414	A	413	GLN	0	-0.015	-0.024	15.069	-1.758	-1.758	0.000	0.000	0.000	0.000
415	A	414	ALA	0	0.042	0.032	13.441	-2.623	-2.623	0.000	0.000	0.000	0.000
416	A	415	GLU	-1	-0.877	-0.933	14.718	62.033	62.033	0.000	0.000	0.000	0.000
417	A	416	GLN	0	-0.029	-0.025	16.366	-3.880	-3.880	0.000	0.000	0.000	0.000
418	A	417	CYS	0	-0.032	-0.012	18.433	-3.196	-3.196	0.000	0.000	0.000	0.000
419	A	418	TRP	0	-0.046	-0.031	17.815	-1.355	-1.355	0.000	0.000	0.000	0.000
420	A	419	LYS	1	0.920	0.963	19.720	-57.895	-57.895	0.000	0.000	0.000	0.000
421	A	420	GLN	0	-0.064	-0.039	22.107	-2.905	-2.905	0.000	0.000	0.000	0.000
422	A	421	GLY	0	-0.003	0.016	23.317	-2.021	-2.021	0.000	0.000	0.000	0.000
423	A	422	ALA	0	-0.035	-0.007	23.672	-1.628	-1.628	0.000	0.000	0.000	0.000
424	A	423	ASP	-1	-0.871	-0.940	22.964	51.174	51.174	0.000	0.000	0.000	0.000
425	A	424	PRO	0	0.064	0.016	18.769	-0.840	-0.840	0.000	0.000	0.000	0.000
426	A	425	VAL	0	0.003	-0.009	20.883	-0.223	-0.223	0.000	0.000	0.000	0.000
427	A	426	GLU	-1	-0.917	-0.971	22.646	40.891	40.891	0.000	0.000	0.000	0.000
428	A	427	PHE	0	0.034	0.022	19.402	-0.816	-0.816	0.000	0.000	0.000	0.000
429	A	428	ALA	0	-0.048	-0.022	20.315	-0.018	-0.018	0.000	0.000	0.000	0.000
430	A	429	LYS	1	0.898	0.959	21.747	-41.480	-41.480	0.000	0.000	0.000	0.000
431	A	430	ASP	-1	-0.931	-0.944	24.859	41.147	41.147	0.000	0.000	0.000	0.000
432	A	431	HIS	1	0.783	0.889	20.452	-50.162	-50.162	0.000	0.000	0.000	0.000
433	A	432	ARG	1	1.047	1.027	20.655	-47.757	-47.757	0.000	0.000	0.000	0.000
434	A	433	GLU	-1	-0.879	-0.944	16.356	56.350	56.350	0.000	0.000	0.000	0.000
435	A	434	PHE	0	0.024	0.001	14.951	3.417	3.417	0.000	0.000	0.000	0.000
436	A	435	ALA	0	0.013	0.005	16.679	2.085	2.085	0.000	0.000	0.000	0.000
437	A	436	ARG	1	0.776	0.890	17.195	-55.325	-55.325	0.000	0.000	0.000	0.000
438	A	437	ALA	0	0.025	0.030	12.822	2.193	2.193	0.000	0.000	0.000	0.000
439	A	438	PHE	0	-0.023	-0.019	13.950	3.280	3.280	0.000	0.000	0.000	0.000
440	A	439	GLU	-1	-0.934	-0.983	16.379	53.331	53.331	0.000	0.000	0.000	0.000
441	A	440	SER	0	-0.051	-0.007	11.873	-0.141	-0.141	0.000	0.000	0.000	0.000
442	A	441	PHE	0	-0.020	-0.002	8.098	3.950	3.950	0.000	0.000	0.000	0.000
443	A	442	PRO	0	0.039	0.021	12.741	-1.035	-1.035	0.000	0.000	0.000	0.000
444	A	443	GLN	0	0.053	0.022	14.142	0.224	0.224	0.000	0.000	0.000	0.000
445	A	444	ASP	-1	-0.776	-0.882	10.226	97.099	97.099	0.000	0.000	0.000	0.000
446	A	445	ALA	0	-0.017	0.001	13.897	-2.139	-2.139	0.000	0.000	0.000	0.000
447	A	446	ASP	-1	-0.858	-0.918	16.717	54.084	54.084	0.000	0.000	0.000	0.000
448	A	447	LYS	1	0.883	0.944	16.166	-62.107	-62.107	0.000	0.000	0.000	0.000
449	A	448	LEU	0	-0.045	-0.027	13.332	-1.622	-1.622	0.000	0.000	0.000	0.000
450	A	449	TYR	0	-0.008	-0.008	16.601	-3.315	-3.315	0.000	0.000	0.000	0.000
451	A	450	PRO	0	0.070	0.036	20.777	-1.096	-1.096	0.000	0.000	0.000	0.000
452	A	451	ASN	0	-0.050	-0.026	23.195	0.993	0.993	0.000	0.000	0.000	0.000
453	A	452	TRP	0	0.023	-0.021	19.736	-1.984	-1.984	0.000	0.000	0.000	0.000
454	A	453	ARG	1	0.888	0.952	20.159	-54.298	-54.298	0.000	0.000	0.000	0.000
455	A	454	ALA	0	-0.037	-0.018	24.907	-1.227	-1.227	0.000	0.000	0.000	0.000
456	A	455	LYS	1	0.903	0.959	25.936	-46.507	-46.507	0.000	0.000	0.000	0.000
457	A	456	LEU	0	-0.041	-0.001	22.060	-0.707	-0.707	0.000	0.000	0.000	0.000
458	B	1	MET	0	0.000	-0.011	10.988	0.448	0.448	0.000	0.000	0.000	0.000
459	B	2	ASP	-1	-0.825	-0.887	13.260	63.894	63.894	0.000	0.000	0.000	0.000
460	B	3	GLN	0	0.005	-0.005	9.204	-2.991	-2.991	0.000	0.000	0.000	0.000
461	B	4	SER	0	0.013	-0.025	14.845	-0.238	-0.238	0.000	0.000	0.000	0.000
462	B	5	ASN	0	-0.041	-0.027	18.216	-2.161	-2.161	0.000	0.000	0.000	0.000
463	B	6	ARG	1	0.830	0.924	11.411	-81.912	-81.912	0.000	0.000	0.000	0.000
464	B	7	TYR	0	0.017	0.001	11.368	0.589	0.589	0.000	0.000	0.000	0.000
465	B	8	ALA	0	-0.018	-0.002	16.817	0.142	0.142	0.000	0.000	0.000	0.000
466	B	9	ASN	0	0.019	0.000	20.178	-2.703	-2.703	0.000	0.000	0.000	0.000
467	B	10	LEU	0	0.021	0.007	23.484	-0.630	-0.630	0.000	0.000	0.000	0.000
468	B	11	ASN	0	-0.042	-0.010	26.215	-2.085	-2.085	0.000	0.000	0.000	0.000
469	B	12	LEU	0	-0.045	-0.011	24.301	-1.606	-1.606	0.000	0.000	0.000	0.000
470	B	13	LYS	1	0.975	0.987	28.318	-37.884	-37.884	0.000	0.000	0.000	0.000
471	B	14	GLU	-1	-0.725	-0.874	27.474	43.198	43.198	0.000	0.000	0.000	0.000
472	B	15	SER	0	-0.004	-0.011	29.096	0.513	0.513	0.000	0.000	0.000	0.000
473	B	16	GLU	-1	-0.919	-0.956	31.013	36.120	36.120	0.000	0.000	0.000	0.000
474	B	17	LEU	0	-0.010	0.000	24.800	0.290	0.290	0.000	0.000	0.000	0.000
475	B	18	ILE	0	-0.044	-0.021	28.057	0.435	0.435	0.000	0.000	0.000	0.000
476	B	19	ALA	0	-0.048	-0.020	29.746	-0.291	-0.291	0.000	0.000	0.000	0.000
477	B	20	GLY	0	0.016	0.016	29.571	-0.512	-0.512	0.000	0.000	0.000	0.000
478	B	21	GLY	0	-0.018	-0.007	28.605	-0.108	-0.108	0.000	0.000	0.000	0.000
479	B	22	ARG	1	0.841	0.913	24.184	-44.726	-44.726	0.000	0.000	0.000	0.000
480	B	23	HIS	0	0.056	0.017	21.417	0.697	0.697	0.000	0.000	0.000	0.000
481	B	24	VAL	0	-0.002	0.007	19.495	-1.908	-1.908	0.000	0.000	0.000	0.000
482	B	25	LEU	0	-0.039	0.004	20.941	1.814	1.814	0.000	0.000	0.000	0.000
483	B	26	CYS	0	-0.022	-0.006	16.955	-0.757	-0.757	0.000	0.000	0.000	0.000
484	B	27	ALA	0	0.043	0.037	20.246	0.415	0.415	0.000	0.000	0.000	0.000
485	B	28	TYR	0	-0.014	-0.038	14.488	0.046	0.046	0.000	0.000	0.000	0.000
486	B	29	ILE	0	0.021	0.023	19.622	-1.810	-1.810	0.000	0.000	0.000	0.000
487	B	30	MET	0	-0.049	-0.018	15.881	2.666	2.666	0.000	0.000	0.000	0.000
488	B	31	LYS	1	0.913	0.957	17.910	-59.651	-59.651	0.000	0.000	0.000	0.000
489	B	32	PRO	0	0.041	0.014	16.940	3.463	3.463	0.000	0.000	0.000	0.000
490	B	33	LYS	1	0.790	0.898	12.056	-89.768	-89.768	0.000	0.000	0.000	0.000
491	B	34	ALA	0	-0.006	-0.013	17.399	-0.387	-0.387	0.000	0.000	0.000	0.000
492	B	35	GLY	0	-0.009	-0.007	19.054	1.563	1.563	0.000	0.000	0.000	0.000
493	B	36	PHE	0	-0.008	-0.001	13.434	2.853	2.853	0.000	0.000	0.000	0.000
494	B	37	GLY	0	0.027	0.025	16.166	-3.178	-3.178	0.000	0.000	0.000	0.000
495	B	38	ASN	0	0.035	0.016	17.672	1.049	1.049	0.000	0.000	0.000	0.000
496	B	39	PHE	0	0.086	0.039	18.887	3.640	3.640	0.000	0.000	0.000	0.000
497	B	40	ILE	0	0.039	0.016	19.171	2.417	2.417	0.000	0.000	0.000	0.000
498	B	41	GLN	0	-0.018	-0.012	16.404	2.973	2.973	0.000	0.000	0.000	0.000
499	B	42	THR	0	-0.013	-0.016	14.598	5.540	5.540	0.000	0.000	0.000	0.000
500	B	43	ALA	0	0.008	-0.003	14.334	4.979	4.979	0.000	0.000	0.000	0.000
501	B	44	ALA	0	-0.004	0.005	15.149	2.490	2.490	0.000	0.000	0.000	0.000
502	B	45	HIS	1	0.766	0.858	6.988	-112.390	-112.390	0.000	0.000	0.000	0.000
503	B	46	PHE	0	0.042	-0.001	10.599	8.744	8.744	0.000	0.000	0.000	0.000
504	B	47	VAL	0	-0.008	0.001	10.909	4.074	4.074	0.000	0.000	0.000	0.000
505	B	48	ALA	0	-0.019	0.014	9.396	1.962	1.962	0.000	0.000	0.000	0.000
506	B	49	GLU	-1	-0.798	-0.919	5.406	178.533	178.533	0.000	0.000	0.000	0.000
507	B	50	SER	0	-0.032	-0.015	7.146	6.035	6.035	0.000	0.000	0.000	0.000
508	B	51	SER	0	-0.045	-0.032	9.885	-7.359	-7.359	0.000	0.000	0.000	0.000
509	B	52	THR	0	-0.052	-0.106	9.887	4.246	4.246	0.000	0.000	0.000	0.000
510	B	53	GLY	0	0.012	0.015	8.295	-0.141	-0.141	0.000	0.000	0.000	0.000
514	B	57	GLU	-1	-0.884	-0.943	7.181	86.832	86.832	0.000	0.000	0.000	0.000
515	B	58	VAL	0	-0.038	-0.024	5.813	5.451	5.451	0.000	0.000	0.000	0.000
516	B	59	SER	0	-0.013	-0.012	9.000	-6.217	-6.217	0.000	0.000	0.000	0.000
517	B	60	THR	0	-0.030	-0.060	9.443	-4.294	-4.294	0.000	0.000	0.000	0.000
518	B	61	THR	0	-0.025	-0.001	10.741	-0.974	-0.974	0.000	0.000	0.000	0.000
519	B	62	ASP	-1	-0.829	-0.885	12.901	60.407	60.407	0.000	0.000	0.000	0.000
520	B	63	ASP	-1	-0.826	-0.935	16.492	54.908	54.908	0.000	0.000	0.000	0.000
521	B	64	PHE	0	-0.089	-0.040	17.925	-1.448	-1.448	0.000	0.000	0.000	0.000
522	B	65	THR	0	-0.020	-0.049	12.528	1.459	1.459	0.000	0.000	0.000	0.000
523	B	66	ARG	1	0.889	0.934	15.387	-61.946	-61.946	0.000	0.000	0.000	0.000
524	B	67	GLY	0	-0.048	-0.003	16.926	-1.064	-1.064	0.000	0.000	0.000	0.000
525	B	68	VAL	0	-0.047	-0.016	15.383	-1.667	-1.667	0.000	0.000	0.000	0.000
526	B	69	ASP	-1	-0.724	-0.783	14.481	77.450	77.450	0.000	0.000	0.000	0.000
527	B	70	ALA	0	-0.003	-0.003	14.910	-3.613	-3.613	0.000	0.000	0.000	0.000
528	B	71	LEU	0	-0.028	-0.017	16.680	0.580	0.580	0.000	0.000	0.000	0.000
529	B	72	VAL	0	0.015	0.010	17.659	-1.195	-1.195	0.000	0.000	0.000	0.000
530	B	73	TYR	0	-0.043	-0.028	19.968	-0.750	-0.750	0.000	0.000	0.000	0.000
531	B	74	GLU	-1	-0.879	-0.954	23.000	41.584	41.584	0.000	0.000	0.000	0.000
532	B	75	VAL	0	-0.032	-0.020	21.604	2.588	2.588	0.000	0.000	0.000	0.000
533	B	76	ASP	-1	-0.821	-0.917	24.248	40.278	40.278	0.000	0.000	0.000	0.000
534	B	77	GLU	-1	-0.921	-0.957	24.108	49.975	49.975	0.000	0.000	0.000	0.000
535	B	78	ALA	0	-0.051	-0.018	25.427	0.228	0.228	0.000	0.000	0.000	0.000
536	B	79	ASN	0	-0.052	-0.022	27.593	-1.027	-1.027	0.000	0.000	0.000	0.000
537	B	80	SER	0	-0.076	-0.036	22.598	1.145	1.145	0.000	0.000	0.000	0.000
538	B	81	LEU	0	-0.020	0.003	22.225	2.417	2.417	0.000	0.000	0.000	0.000
539	B	82	MET	0	-0.029	-0.006	15.563	0.516	0.516	0.000	0.000	0.000	0.000
540	B	83	LYS	1	0.842	0.930	20.554	-43.207	-43.207	0.000	0.000	0.000	0.000
541	B	84	ILE	0	-0.006	-0.016	15.345	0.311	0.311	0.000	0.000	0.000	0.000
542	B	85	ALA	0	-0.012	-0.002	19.320	-1.310	-1.310	0.000	0.000	0.000	0.000
543	B	86	TYR	0	0.013	-0.031	13.477	3.284	3.284	0.000	0.000	0.000	0.000
544	B	87	PRO	0	0.036	0.026	17.316	-2.808	-2.808	0.000	0.000	0.000	0.000
545	B	88	ILE	0	0.004	-0.003	18.255	2.091	2.091	0.000	0.000	0.000	0.000
546	B	89	GLU	-1	-0.942	-0.984	19.042	52.631	52.631	0.000	0.000	0.000	0.000
547	B	90	LEU	0	-0.031	-0.015	13.338	1.498	1.498	0.000	0.000	0.000	0.000
548	B	91	PHE	0	-0.031	0.011	14.517	3.124	3.124	0.000	0.000	0.000	0.000
549	B	92	ASP	-1	-0.736	-0.883	14.219	63.668	63.668	0.000	0.000	0.000	0.000
550	B	93	ARG	1	0.838	0.920	16.256	-55.068	-55.068	0.000	0.000	0.000	0.000
551	B	94	ASN	0	-0.003	0.001	19.450	3.222	3.222	0.000	0.000	0.000	0.000
552	B	95	VAL	0	-0.051	-0.051	20.472	-1.544	-1.544	0.000	0.000	0.000	0.000
553	B	96	ILE	0	-0.073	-0.027	22.952	-1.859	-1.859	0.000	0.000	0.000	0.000
554	B	97	ASP	-1	-0.768	-0.890	25.195	42.585	42.585	0.000	0.000	0.000	0.000
555	B	98	GLY	0	-0.021	-0.003	24.221	-1.069	-1.069	0.000	0.000	0.000	0.000
556	B	99	ARG	1	0.829	0.922	24.437	-39.866	-39.866	0.000	0.000	0.000	0.000
557	B	100	ALA	0	-0.017	-0.016	20.871	1.867	1.867	0.000	0.000	0.000	0.000
558	B	101	MET	0	-0.035	0.019	16.298	0.251	0.251	0.000	0.000	0.000	0.000
559	B	102	ILE	0	-0.001	-0.024	17.347	1.980	1.980	0.000	0.000	0.000	0.000
560	B	103	ALA	0	0.026	0.012	13.621	2.847	2.847	0.000	0.000	0.000	0.000
561	B	104	SER	0	0.043	0.042	12.499	3.910	3.910	0.000	0.000	0.000	0.000
562	B	105	PHE	0	0.028	0.005	12.785	3.872	3.872	0.000	0.000	0.000	0.000
563	B	106	LEU	0	-0.012	0.006	12.674	2.175	2.175	0.000	0.000	0.000	0.000
564	B	107	THR	0	-0.027	-0.007	7.673	2.853	2.853	0.000	0.000	0.000	0.000
565	B	108	LEU	0	-0.030	-0.013	8.705	8.015	8.015	0.000	0.000	0.000	0.000
566	B	109	THR	0	-0.038	-0.031	10.929	2.013	2.013	0.000	0.000	0.000	0.000
567	B	110	ILE	0	-0.060	-0.007	11.561	-1.626	-1.626	0.000	0.000	0.000	0.000
568	B	111	GLY	0	0.107	0.058	7.632	0.360	0.360	0.000	0.000	0.000	0.000
571	B	114	GLN	0	0.021	0.011	8.030	-9.016	-9.016	0.000	0.000	0.000	0.000
572	B	115	GLY	0	-0.002	0.002	5.464	-4.546	-4.546	0.000	0.000	0.000	0.000
573	B	116	MET	0	-0.059	-0.005	6.375	5.887	5.887	0.000	0.000	0.000	0.000
574	B	117	GLY	0	0.059	0.035	8.329	-7.979	-7.979	0.000	0.000	0.000	0.000
575	B	118	ASP	-1	-0.828	-0.889	9.884	93.534	93.534	0.000	0.000	0.000	0.000
576	B	119	VAL	0	0.008	-0.006	11.971	-7.435	-7.435	0.000	0.000	0.000	0.000
577	B	120	GLU	-1	-0.943	-0.967	12.687	62.708	62.708	0.000	0.000	0.000	0.000
578	B	121	TYR	0	-0.001	-0.018	14.213	-0.038	-0.038	0.000	0.000	0.000	0.000
579	B	122	ALA	0	0.035	0.010	14.055	-1.930	-1.930	0.000	0.000	0.000	0.000
580	B	123	LYS	1	0.810	0.936	15.122	-52.609	-52.609	0.000	0.000	0.000	0.000
581	B	124	MET	0	0.002	0.007	15.708	-3.529	-3.529	0.000	0.000	0.000	0.000
582	B	125	TYR	0	-0.022	-0.040	18.486	-0.932	-0.932	0.000	0.000	0.000	0.000
583	B	126	ASP	-1	-0.748	-0.883	21.741	42.916	42.916	0.000	0.000	0.000	0.000
584	B	127	PHE	0	0.008	-0.007	20.487	2.558	2.558	0.000	0.000	0.000	0.000
585	B	128	TYR	0	0.014	0.033	22.544	-2.411	-2.411	0.000	0.000	0.000	0.000
586	B	129	VAL	0	0.015	0.002	22.463	2.061	2.061	0.000	0.000	0.000	0.000
587	B	130	PRO	0	0.049	0.038	24.130	-1.978	-1.978	0.000	0.000	0.000	0.000
588	B	131	PRO	0	0.100	0.031	26.913	0.796	0.796	0.000	0.000	0.000	0.000
589	B	132	ALA	0	-0.039	-0.019	27.172	-0.048	-0.048	0.000	0.000	0.000	0.000
590	B	133	TYR	0	0.026	0.000	18.705	0.494	0.494	0.000	0.000	0.000	0.000
591	B	134	LEU	0	0.023	0.018	24.913	0.595	0.595	0.000	0.000	0.000	0.000
592	B	135	LYS	1	0.913	0.955	26.776	-39.254	-39.254	0.000	0.000	0.000	0.000
593	B	136	LEU	0	-0.095	-0.043	24.109	-0.864	-0.864	0.000	0.000	0.000	0.000
594	B	137	PHE	0	0.015	0.007	20.404	1.173	1.173	0.000	0.000	0.000	0.000
595	B	138	ASP	-1	-0.819	-0.884	25.689	41.605	41.605	0.000	0.000	0.000	0.000
596	B	139	GLY	0	0.035	0.023	27.544	-1.510	-1.510	0.000	0.000	0.000	0.000
597	B	140	PRO	0	-0.007	0.007	29.497	-0.056	-0.056	0.000	0.000	0.000	0.000
598	B	141	SER	0	-0.047	-0.034	31.724	-0.339	-0.339	0.000	0.000	0.000	0.000
599	B	142	THR	0	-0.040	-0.014	34.383	-1.392	-1.392	0.000	0.000	0.000	0.000
600	B	143	THR	0	0.008	0.001	34.995	0.558	0.558	0.000	0.000	0.000	0.000
601	B	144	ILE	0	0.114	0.040	37.232	-0.417	-0.417	0.000	0.000	0.000	0.000
602	B	145	LYS	1	0.933	0.994	39.540	-29.342	-29.342	0.000	0.000	0.000	0.000
603	B	146	ASP	-1	-0.823	-0.905	39.981	28.647	28.647	0.000	0.000	0.000	0.000
604	B	147	LEU	0	0.038	0.030	38.249	-0.508	-0.508	0.000	0.000	0.000	0.000
605	B	148	TRP	0	-0.018	-0.006	42.670	-0.555	-0.555	0.000	0.000	0.000	0.000
606	B	149	ARG	1	0.842	0.891	43.523	-27.554	-27.554	0.000	0.000	0.000	0.000
607	B	150	VAL	0	-0.020	0.004	43.959	-0.603	-0.603	0.000	0.000	0.000	0.000
608	B	151	LEU	0	-0.046	-0.026	44.701	-0.434	-0.434	0.000	0.000	0.000	0.000
609	B	152	GLY	0	-0.008	0.015	48.308	-0.487	-0.487	0.000	0.000	0.000	0.000
610	B	153	ARG	1	0.787	0.899	47.029	-25.678	-25.678	0.000	0.000	0.000	0.000
611	B	154	PRO	0	0.013	0.002	49.544	0.091	0.091	0.000	0.000	0.000	0.000
612	B	155	VAL	0	0.001	-0.007	45.934	0.461	0.461	0.000	0.000	0.000	0.000
613	B	156	ILE	0	0.017	-0.004	44.938	0.686	0.686	0.000	0.000	0.000	0.000
614	B	157	ASN	0	-0.017	-0.011	44.892	-0.002	-0.002	0.000	0.000	0.000	0.000
615	B	158	GLY	0	0.057	0.022	45.650	-0.527	-0.527	0.000	0.000	0.000	0.000
616	B	159	GLY	0	-0.012	0.008	45.891	-0.456	-0.456	0.000	0.000	0.000	0.000
617	B	160	PHE	0	0.038	0.009	41.820	0.494	0.494	0.000	0.000	0.000	0.000
618	B	161	ILE	0	-0.027	-0.015	41.218	-0.596	-0.596	0.000	0.000	0.000	0.000
619	B	162	VAL	0	-0.020	0.003	42.210	0.567	0.567	0.000	0.000	0.000	0.000
620	B	163	GLY	0	0.058	0.006	40.558	-0.202	-0.202	0.000	0.000	0.000	0.000
621	B	164	THR	0	-0.051	-0.036	40.099	-0.025	-0.025	0.000	0.000	0.000	0.000
622	B	165	ILE	0	0.018	0.005	34.703	0.309	0.309	0.000	0.000	0.000	0.000
623	B	166	ILE	0	0.001	0.002	37.883	-0.634	-0.634	0.000	0.000	0.000	0.000
624	B	167	LYS	1	0.866	0.911	34.507	-32.190	-32.190	0.000	0.000	0.000	0.000
625	B	168	PRO	0	0.018	0.014	38.586	-0.772	-0.772	0.000	0.000	0.000	0.000
626	B	169	LYS	1	0.823	0.904	30.434	-36.404	-36.404	0.000	0.000	0.000	0.000
627	B	170	LEU	0	-0.023	-0.018	30.917	0.360	0.360	0.000	0.000	0.000	0.000
628	B	171	GLY	0	0.045	0.014	35.467	-0.275	-0.275	0.000	0.000	0.000	0.000
629	B	172	LEU	0	-0.020	0.015	38.601	-0.678	-0.678	0.000	0.000	0.000	0.000
630	B	173	ARG	1	0.958	0.986	40.244	-25.870	-25.870	0.000	0.000	0.000	0.000
631	B	174	PRO	0	0.062	0.016	41.731	-0.294	-0.294	0.000	0.000	0.000	0.000
632	B	175	GLN	0	0.009	0.008	43.305	0.044	0.044	0.000	0.000	0.000	0.000
633	B	176	PRO	0	-0.007	-0.013	44.898	-0.247	-0.247	0.000	0.000	0.000	0.000
634	B	177	PHE	0	0.060	0.048	37.905	-0.174	-0.174	0.000	0.000	0.000	0.000
635	B	178	ALA	0	0.031	0.008	43.316	-0.010	-0.010	0.000	0.000	0.000	0.000
636	B	179	ASN	0	-0.035	-0.029	45.481	-0.375	-0.375	0.000	0.000	0.000	0.000
637	B	180	ALA	0	0.058	0.045	44.045	-0.315	-0.315	0.000	0.000	0.000	0.000
638	B	181	CYS	0	-0.033	-0.010	42.943	0.151	0.151	0.000	0.000	0.000	0.000
639	B	182	TYR	0	-0.047	-0.024	45.212	-0.344	-0.344	0.000	0.000	0.000	0.000
640	B	183	ASP	-1	-0.916	-0.965	48.538	23.417	23.417	0.000	0.000	0.000	0.000
641	B	184	PHE	0	-0.043	-0.024	44.122	-0.301	-0.301	0.000	0.000	0.000	0.000
642	B	185	TRP	0	0.054	0.004	43.188	-0.315	-0.315	0.000	0.000	0.000	0.000
643	B	186	LEU	0	-0.055	-0.014	48.271	-0.377	-0.377	0.000	0.000	0.000	0.000
644	B	187	GLY	0	-0.074	-0.032	50.176	-0.467	-0.467	0.000	0.000	0.000	0.000
645	B	188	GLY	0	-0.036	-0.013	46.799	0.026	0.026	0.000	0.000	0.000	0.000
646	B	189	ASP	-1	-0.785	-0.881	44.800	25.190	25.190	0.000	0.000	0.000	0.000
647	B	190	PHE	0	-0.021	-0.014	36.369	0.006	0.006	0.000	0.000	0.000	0.000
648	B	191	ILE	0	0.001	0.016	39.574	-0.095	-0.095	0.000	0.000	0.000	0.000
649	B	192	KCX	-1	-0.417	-0.761	31.901	36.421	36.421	0.000	0.000	0.000	0.000
650	B	193	ASN	0	0.047	0.004	33.459	-0.414	-0.414	0.000	0.000	0.000	0.000
651	B	194	ASP	0	0.181	0.050	33.204	0.505	0.505	0.000	0.000	0.000	0.000
652	B	195	GLU	0	0.134	-0.046	27.599	-0.294	-0.294	0.000	0.000	0.000	0.000
653	B	501	merge:B:AS	-1	-2.181	-1.469	27.183	36.381	36.381	0.000	0.000	0.000	0.000
654	B	196	PRO	0	-0.029	0.011	28.127	0.601	0.601	0.000	0.000	0.000	0.000
655	B	197	GLN	0	-0.079	-0.021	29.212	-0.388	-0.388	0.000	0.000	0.000	0.000
656	B	198	GLY	0	0.049	0.022	31.621	0.561	0.561	0.000	0.000	0.000	0.000
657	B	199	ASN	0	-0.052	-0.024	31.939	-2.255	-2.255	0.000	0.000	0.000	0.000
658	B	200	GLN	0	0.020	0.015	30.681	-0.564	-0.564	0.000	0.000	0.000	0.000
659	B	201	VAL	0	-0.005	-0.012	34.075	-0.803	-0.803	0.000	0.000	0.000	0.000
660	B	202	PHE	0	-0.023	-0.009	35.181	-0.927	-0.927	0.000	0.000	0.000	0.000
661	B	203	ALA	0	-0.036	-0.037	37.347	-0.942	-0.942	0.000	0.000	0.000	0.000
662	B	204	PRO	0	0.039	0.044	37.382	0.610	0.610	0.000	0.000	0.000	0.000
663	B	205	PHE	0	0.097	0.037	34.556	-0.746	-0.746	0.000	0.000	0.000	0.000
664	B	206	LYS	1	0.888	0.954	37.158	-30.533	-30.533	0.000	0.000	0.000	0.000
665	B	207	ASP	-1	-0.897	-0.948	40.084	26.682	26.682	0.000	0.000	0.000	0.000
666	B	208	THR	0	-0.027	-0.018	38.823	-0.774	-0.774	0.000	0.000	0.000	0.000
667	B	209	VAL	0	0.012	0.011	38.281	-0.467	-0.467	0.000	0.000	0.000	0.000
668	B	210	ARG	1	0.937	0.969	41.063	-27.449	-27.449	0.000	0.000	0.000	0.000
669	B	211	ALA	0	-0.002	0.012	44.412	-0.558	-0.558	0.000	0.000	0.000	0.000
670	B	212	VAL	0	0.016	-0.004	41.080	-0.532	-0.532	0.000	0.000	0.000	0.000
671	B	213	ALA	0	0.015	0.015	44.303	-0.373	-0.373	0.000	0.000	0.000	0.000
672	B	214	ASP	-1	-0.921	-0.957	45.847	22.906	22.906	0.000	0.000	0.000	0.000
673	B	215	ALA	0	-0.027	-0.018	46.750	-0.515	-0.515	0.000	0.000	0.000	0.000
674	B	216	MET	0	-0.002	0.013	43.460	-0.352	-0.352	0.000	0.000	0.000	0.000
675	B	217	ARG	1	0.954	0.974	48.043	-24.512	-24.512	0.000	0.000	0.000	0.000
676	B	218	ARG	1	0.936	0.974	50.314	-23.642	-23.642	0.000	0.000	0.000	0.000
677	B	219	ALA	0	0.006	-0.003	49.915	-0.424	-0.424	0.000	0.000	0.000	0.000
678	B	220	GLN	0	-0.006	-0.006	48.751	0.166	0.166	0.000	0.000	0.000	0.000
679	B	221	ASP	-1	-0.915	-0.943	52.621	21.600	21.600	0.000	0.000	0.000	0.000
680	B	222	LYS	1	0.817	0.921	55.135	-20.974	-20.974	0.000	0.000	0.000	0.000
681	B	223	THR	0	-0.071	-0.067	53.030	-0.249	-0.249	0.000	0.000	0.000	0.000
682	B	224	GLY	0	0.007	0.021	55.719	-0.220	-0.220	0.000	0.000	0.000	0.000
683	B	225	GLU	-1	-0.950	-0.967	51.791	22.927	22.927	0.000	0.000	0.000	0.000
684	B	226	ALA	0	-0.009	-0.008	48.411	0.125	0.125	0.000	0.000	0.000	0.000
685	B	227	LYS	1	0.809	0.911	46.413	-24.080	-24.080	0.000	0.000	0.000	0.000
686	B	228	LEU	0	0.000	-0.012	41.450	0.202	0.202	0.000	0.000	0.000	0.000
687	B	229	PHE	0	-0.013	-0.023	37.342	-0.236	-0.236	0.000	0.000	0.000	0.000
688	B	230	SER	0	-0.027	-0.014	34.100	0.376	0.376	0.000	0.000	0.000	0.000
689	B	231	PHE	0	0.039	0.006	34.963	-0.003	-0.003	0.000	0.000	0.000	0.000
690	B	232	ASN	0	0.034	0.040	28.604	1.588	1.588	0.000	0.000	0.000	0.000
691	B	233	ILE	0	-0.055	-0.028	29.164	-0.636	-0.636	0.000	0.000	0.000	0.000
692	B	234	THR	0	0.008	-0.022	24.089	1.195	1.195	0.000	0.000	0.000	0.000
693	B	235	ALA	0	-0.011	-0.020	24.973	-0.914	-0.914	0.000	0.000	0.000	0.000
694	B	236	ASP	-1	-0.782	-0.889	20.554	53.171	53.171	0.000	0.000	0.000	0.000
695	B	237	ASP	-1	-0.812	-0.907	21.827	44.917	44.917	0.000	0.000	0.000	0.000
696	B	238	HIS	0	0.058	0.012	24.105	-2.297	-2.297	0.000	0.000	0.000	0.000
697	B	239	TYR	0	0.067	0.016	25.667	-0.720	-0.720	0.000	0.000	0.000	0.000
698	B	240	GLU	-1	-0.722	-0.829	27.547	35.516	35.516	0.000	0.000	0.000	0.000
699	B	241	MET	0	-0.059	-0.022	25.669	-0.577	-0.577	0.000	0.000	0.000	0.000
700	B	242	LEU	0	-0.028	-0.008	29.176	-1.082	-1.082	0.000	0.000	0.000	0.000
701	B	243	ALA	0	0.042	0.027	31.706	-1.205	-1.205	0.000	0.000	0.000	0.000
702	B	244	ARG	1	0.752	0.868	30.009	-38.730	-38.730	0.000	0.000	0.000	0.000
703	B	245	GLY	0	0.049	0.014	33.225	-0.985	-0.985	0.000	0.000	0.000	0.000
704	B	246	GLU	-1	-0.905	-0.966	34.813	32.505	32.505	0.000	0.000	0.000	0.000
705	B	247	PHE	0	0.004	-0.006	37.113	-1.151	-1.151	0.000	0.000	0.000	0.000
706	B	248	ILE	0	-0.009	0.004	35.453	-0.928	-0.928	0.000	0.000	0.000	0.000
707	B	249	LEU	0	-0.019	-0.006	37.614	-0.801	-0.801	0.000	0.000	0.000	0.000
708	B	250	GLU	-1	-0.961	-0.972	40.794	26.866	26.866	0.000	0.000	0.000	0.000
709	B	251	THR	0	-0.094	-0.062	42.209	-0.845	-0.845	0.000	0.000	0.000	0.000
710	B	252	PHE	0	-0.054	-0.051	41.538	-0.617	-0.617	0.000	0.000	0.000	0.000
711	B	253	ALA	0	0.005	0.025	44.893	-0.594	-0.594	0.000	0.000	0.000	0.000
712	B	254	ASP	-1	-0.919	-0.957	46.383	24.320	24.320	0.000	0.000	0.000	0.000
713	B	255	ASN	0	-0.009	-0.012	46.290	-0.203	-0.203	0.000	0.000	0.000	0.000
714	B	256	ALA	0	0.015	0.000	42.500	0.554	0.554	0.000	0.000	0.000	0.000
715	B	257	ASP	-1	-0.893	-0.947	41.728	27.094	27.094	0.000	0.000	0.000	0.000
716	B	258	HIS	1	0.801	0.902	43.006	-25.730	-25.730	0.000	0.000	0.000	0.000
717	B	259	ILE	0	-0.017	-0.007	37.634	0.224	0.224	0.000	0.000	0.000	0.000
718	B	260	ALA	0	-0.046	-0.017	35.377	0.274	0.274	0.000	0.000	0.000	0.000
719	B	261	PHE	0	-0.018	-0.005	31.808	-0.224	-0.224	0.000	0.000	0.000	0.000
720	B	262	LEU	0	-0.006	-0.002	28.823	0.574	0.574	0.000	0.000	0.000	0.000
721	B	263	VAL	0	-0.001	-0.015	24.400	0.227	0.227	0.000	0.000	0.000	0.000
722	B	264	ASP	-1	-0.804	-0.918	23.436	43.156	43.156	0.000	0.000	0.000	0.000
723	B	265	GLY	0	-0.013	-0.021	22.098	1.899	1.899	0.000	0.000	0.000	0.000
724	B	266	TYR	0	-0.066	-0.018	15.607	2.311	2.311	0.000	0.000	0.000	0.000
725	B	267	VAL	0	-0.018	-0.005	17.452	3.176	3.176	0.000	0.000	0.000	0.000
726	B	268	ALA	0	0.000	-0.003	17.514	2.257	2.257	0.000	0.000	0.000	0.000
727	B	269	GLY	0	0.028	0.014	17.155	1.921	1.921	0.000	0.000	0.000	0.000
728	B	270	PRO	0	0.027	-0.001	16.500	-3.145	-3.145	0.000	0.000	0.000	0.000
729	B	271	ALA	0	0.027	0.027	18.394	-2.644	-2.644	0.000	0.000	0.000	0.000
730	B	272	ALA	0	0.033	0.025	20.220	-2.413	-2.413	0.000	0.000	0.000	0.000
731	B	273	VAL	0	0.007	0.008	22.373	-2.433	-2.433	0.000	0.000	0.000	0.000
732	B	274	THR	0	0.027	0.010	22.022	-2.301	-2.301	0.000	0.000	0.000	0.000
733	B	275	THR	0	-0.031	-0.017	23.671	-1.648	-1.648	0.000	0.000	0.000	0.000
734	B	276	ALA	0	0.005	0.002	25.929	-1.604	-1.604	0.000	0.000	0.000	0.000
735	B	277	ARG	1	0.800	0.911	27.149	-40.039	-40.039	0.000	0.000	0.000	0.000
736	B	278	ARG	1	0.729	0.828	25.642	-44.919	-44.919	0.000	0.000	0.000	0.000
737	B	279	ALA	0	-0.021	0.009	29.355	-1.005	-1.005	0.000	0.000	0.000	0.000
738	B	280	PHE	0	-0.002	-0.006	31.294	-1.318	-1.318	0.000	0.000	0.000	0.000
739	B	281	PRO	0	0.041	0.042	32.978	-0.301	-0.301	0.000	0.000	0.000	0.000
740	B	282	LYS	1	0.912	0.964	34.106	-29.339	-29.339	0.000	0.000	0.000	0.000
741	B	283	GLN	0	-0.018	-0.009	35.343	-1.217	-1.217	0.000	0.000	0.000	0.000
742	B	284	TYR	0	-0.015	-0.016	34.220	1.061	1.061	0.000	0.000	0.000	0.000
743	B	285	LEU	0	0.017	0.012	27.560	0.013	0.013	0.000	0.000	0.000	0.000
744	B	286	HIS	0	-0.015	-0.013	30.604	-0.410	-0.410	0.000	0.000	0.000	0.000
745	B	287	TYR	0	0.045	0.011	21.195	0.764	0.764	0.000	0.000	0.000	0.000
746	B	288	HIS	0	0.420	0.329	26.918	0.585	0.585	0.000	0.000	0.000	0.000
747	B	289	ARG	1	0.835	0.902	23.470	-40.619	-40.619	0.000	0.000	0.000	0.000
748	B	290	ALA	0	0.046	0.024	22.985	1.367	1.367	0.000	0.000	0.000	0.000
749	B	291	GLY	0	0.052	0.021	20.184	1.709	1.709	0.000	0.000	0.000	0.000
750	B	292	HIS	0	-0.011	-0.016	19.489	1.236	1.236	0.000	0.000	0.000	0.000
751	B	293	GLY	0	0.014	0.020	19.960	1.713	1.713	0.000	0.000	0.000	0.000
752	B	294	ALA	0	0.011	0.009	17.004	-0.029	-0.029	0.000	0.000	0.000	0.000
753	B	295	VAL	0	-0.046	-0.028	14.873	2.177	2.177	0.000	0.000	0.000	0.000
754	B	296	THR	0	0.011	0.008	17.872	-0.802	-0.802	0.000	0.000	0.000	0.000
755	B	297	SER	0	-0.061	-0.030	21.251	-1.204	-1.204	0.000	0.000	0.000	0.000
756	B	298	PRO	0	0.035	0.004	22.207	2.444	2.444	0.000	0.000	0.000	0.000
757	B	299	GLN	0	-0.008	0.011	21.311	1.633	1.633	0.000	0.000	0.000	0.000
758	B	300	SER	0	-0.025	-0.003	17.525	2.043	2.043	0.000	0.000	0.000	0.000
759	B	301	LYS	1	0.934	0.965	18.394	-53.347	-53.347	0.000	0.000	0.000	0.000
760	B	302	ARG	1	0.818	0.894	10.012	-84.797	-84.797	0.000	0.000	0.000	0.000
761	B	303	GLY	0	0.046	0.021	14.109	-3.178	-3.178	0.000	0.000	0.000	0.000
762	B	304	TYR	0	0.013	-0.001	14.874	-1.534	-1.534	0.000	0.000	0.000	0.000
763	B	305	THR	0	0.062	0.028	18.190	-1.040	-1.040	0.000	0.000	0.000	0.000
764	B	306	ALA	0	0.076	0.020	21.803	0.867	0.867	0.000	0.000	0.000	0.000
765	B	307	PHE	0	0.022	0.034	24.186	-0.511	-0.511	0.000	0.000	0.000	0.000
766	B	308	VAL	0	0.033	0.018	18.938	-0.622	-0.622	0.000	0.000	0.000	0.000
767	B	309	LEU	0	0.004	0.003	20.014	0.208	0.208	0.000	0.000	0.000	0.000
768	B	310	SER	0	0.009	-0.013	21.968	-0.787	-0.787	0.000	0.000	0.000	0.000
769	B	311	LYS	1	0.827	0.910	23.981	-45.681	-45.681	0.000	0.000	0.000	0.000
770	B	312	MET	0	-0.027	-0.019	17.781	0.394	0.394	0.000	0.000	0.000	0.000
771	B	313	ALA	0	-0.008	0.005	22.541	-0.277	-0.277	0.000	0.000	0.000	0.000
772	B	314	ARG	1	0.796	0.915	24.736	-37.617	-37.617	0.000	0.000	0.000	0.000
773	B	315	LEU	0	-0.019	-0.025	22.635	-0.814	-0.814	0.000	0.000	0.000	0.000
774	B	316	GLN	0	-0.014	-0.025	21.126	0.284	0.284	0.000	0.000	0.000	0.000
775	B	317	GLY	0	0.000	0.015	24.495	-0.473	-0.473	0.000	0.000	0.000	0.000
776	B	318	ALA	0	-0.013	-0.009	27.179	-0.985	-0.985	0.000	0.000	0.000	0.000
777	B	319	SER	0	0.007	0.014	28.911	-0.432	-0.432	0.000	0.000	0.000	0.000
778	B	320	GLY	0	-0.001	-0.001	31.594	-1.146	-1.146	0.000	0.000	0.000	0.000
779	B	321	ILE	0	-0.008	-0.004	25.082	1.067	1.067	0.000	0.000	0.000	0.000
780	B	322	HIS	0	0.034	0.047	28.394	-1.245	-1.245	0.000	0.000	0.000	0.000
781	B	323	THR	0	-0.008	-0.006	28.252	1.153	1.153	0.000	0.000	0.000	0.000
782	B	324	GLY	0	0.040	0.033	30.294	0.303	0.303	0.000	0.000	0.000	0.000
783	B	325	THR	0	-0.023	-0.018	31.390	-0.859	-0.859	0.000	0.000	0.000	0.000
784	B	326	MET	0	-0.030	-0.009	33.241	-1.325	-1.325	0.000	0.000	0.000	0.000
785	B	327	GLY	0	0.057	0.041	34.129	-0.638	-0.638	0.000	0.000	0.000	0.000
786	B	328	PHE	0	-0.047	-0.021	35.539	-0.745	-0.745	0.000	0.000	0.000	0.000
787	B	329	GLY	0	0.025	0.010	36.203	-0.959	-0.959	0.000	0.000	0.000	0.000
788	B	330	LYS	1	0.729	0.856	32.519	-34.257	-34.257	0.000	0.000	0.000	0.000
789	B	331	ALA	0	0.004	0.007	29.524	0.478	0.478	0.000	0.000	0.000	0.000
790	B	332	GLU	-1	-0.848	-0.904	26.264	42.481	42.481	0.000	0.000	0.000	0.000
791	B	333	GLY	0	-0.002	0.004	29.455	0.665	0.665	0.000	0.000	0.000	0.000
792	B	334	GLU	-1	-0.929	-0.969	29.714	38.477	38.477	0.000	0.000	0.000	0.000
793	B	335	ALA	0	0.028	0.008	33.335	-0.011	-0.011	0.000	0.000	0.000	0.000
794	B	336	ALA	0	0.008	-0.004	33.001	-0.342	-0.342	0.000	0.000	0.000	0.000
795	B	337	ASP	-1	-0.811	-0.900	30.396	39.394	39.394	0.000	0.000	0.000	0.000
796	B	338	ARG	1	0.848	0.906	32.259	-31.124	-31.124	0.000	0.000	0.000	0.000
797	B	339	ALA	0	-0.025	-0.021	32.025	-0.290	-0.290	0.000	0.000	0.000	0.000
798	B	340	ILE	0	-0.015	-0.011	28.074	0.648	0.648	0.000	0.000	0.000	0.000
799	B	341	ALA	0	-0.014	-0.008	30.838	0.190	0.190	0.000	0.000	0.000	0.000
800	B	342	TYR	0	0.037	0.007	33.654	-0.003	-0.003	0.000	0.000	0.000	0.000
801	B	343	MET	0	-0.013	0.016	28.465	-0.009	-0.009	0.000	0.000	0.000	0.000
802	B	344	ILE	0	-0.057	-0.031	29.023	0.599	0.599	0.000	0.000	0.000	0.000
803	B	345	THR	0	-0.054	-0.033	31.634	-0.005	-0.005	0.000	0.000	0.000	0.000
804	B	346	GLU	-1	-0.887	-0.922	35.238	30.079	30.079	0.000	0.000	0.000	0.000
805	B	347	ASP	-1	-0.863	-0.923	34.785	33.826	33.826	0.000	0.000	0.000	0.000
806	B	348	ALA	0	0.004	0.001	34.799	0.776	0.776	0.000	0.000	0.000	0.000
807	B	349	ALA	0	-0.015	-0.007	32.709	-0.648	-0.648	0.000	0.000	0.000	0.000
808	B	350	ASP	-1	-0.880	-0.938	32.568	35.119	35.119	0.000	0.000	0.000	0.000
809	B	351	GLY	0	0.000	-0.013	28.614	-0.006	-0.006	0.000	0.000	0.000	0.000
810	B	352	PRO	0	-0.098	-0.049	26.471	-0.814	-0.814	0.000	0.000	0.000	0.000
811	B	353	TYR	0	-0.040	-0.029	25.328	-0.177	-0.177	0.000	0.000	0.000	0.000
812	B	354	PHE	0	-0.040	-0.004	23.235	-0.323	-0.323	0.000	0.000	0.000	0.000
813	B	355	HIS	1	0.841	0.931	28.713	-35.111	-35.111	0.000	0.000	0.000	0.000
814	B	356	GLN	0	-0.026	-0.028	27.342	2.471	2.471	0.000	0.000	0.000	0.000
815	B	357	GLU	-1	-0.808	-0.900	30.868	32.352	32.352	0.000	0.000	0.000	0.000
816	B	358	TRP	0	-0.003	-0.027	27.133	1.997	1.997	0.000	0.000	0.000	0.000
817	B	359	LEU	0	-0.052	-0.026	31.827	0.291	0.291	0.000	0.000	0.000	0.000
818	B	360	GLY	0	0.012	0.000	34.937	-0.208	-0.208	0.000	0.000	0.000	0.000
819	B	361	MET	0	-0.065	-0.003	28.233	0.001	0.001	0.000	0.000	0.000	0.000
820	B	362	ASN	0	-0.035	-0.025	33.685	-1.063	-1.063	0.000	0.000	0.000	0.000
821	B	363	PRO	0	-0.014	0.003	33.151	1.028	1.028	0.000	0.000	0.000	0.000
822	B	364	THR	0	-0.002	-0.011	29.738	0.171	0.171	0.000	0.000	0.000	0.000
823	B	365	THR	0	-0.038	-0.029	32.791	-0.691	-0.691	0.000	0.000	0.000	0.000
824	B	366	PRO	0	0.031	0.012	33.063	0.978	0.978	0.000	0.000	0.000	0.000
825	B	367	ILE	0	-0.049	-0.011	32.132	-1.146	-1.146	0.000	0.000	0.000	0.000
826	B	368	ILE	0	-0.008	-0.006	33.135	0.802	0.802	0.000	0.000	0.000	0.000
827	B	369	SER	0	0.026	-0.018	33.108	-1.212	-1.212	0.000	0.000	0.000	0.000
828	B	370	GLY	0	0.072	0.036	33.399	0.844	0.844	0.000	0.000	0.000	0.000
829	B	371	GLY	0	-0.031	-0.016	34.433	-0.107	-0.107	0.000	0.000	0.000	0.000
830	B	372	MET	0	-0.037	-0.008	37.445	-0.537	-0.537	0.000	0.000	0.000	0.000
831	B	373	ASN	0	0.049	-0.005	39.778	-0.481	-0.481	0.000	0.000	0.000	0.000
832	B	374	ALA	0	0.037	0.013	43.479	0.127	0.127	0.000	0.000	0.000	0.000
833	B	375	LEU	0	-0.022	-0.008	46.428	-0.186	-0.186	0.000	0.000	0.000	0.000
834	B	376	ARG	1	0.835	0.915	39.697	-29.282	-29.282	0.000	0.000	0.000	0.000
835	B	377	MET	0	-0.045	0.005	43.021	0.369	0.369	0.000	0.000	0.000	0.000
836	B	378	PRO	0	0.027	0.016	44.188	0.316	0.316	0.000	0.000	0.000	0.000
837	B	379	GLY	0	0.067	0.046	44.315	0.047	0.047	0.000	0.000	0.000	0.000
838	B	380	PHE	0	-0.002	0.005	36.381	0.319	0.319	0.000	0.000	0.000	0.000
839	B	381	PHE	0	0.015	-0.016	41.356	0.463	0.463	0.000	0.000	0.000	0.000
840	B	382	ASP	-1	-0.900	-0.931	43.493	25.725	25.725	0.000	0.000	0.000	0.000
841	B	383	ASN	0	-0.050	0.000	37.668	-0.104	-0.104	0.000	0.000	0.000	0.000
842	B	384	LEU	0	-0.050	-0.017	37.619	0.497	0.497	0.000	0.000	0.000	0.000
843	B	385	GLY	0	0.028	0.004	40.555	0.173	0.173	0.000	0.000	0.000	0.000
844	B	386	HIS	0	-0.039	-0.031	38.976	-1.191	-1.191	0.000	0.000	0.000	0.000
845	B	387	SER	0	0.007	-0.018	42.717	0.425	0.425	0.000	0.000	0.000	0.000
846	B	388	ASN	0	-0.038	-0.019	42.302	-0.611	-0.611	0.000	0.000	0.000	0.000
847	B	389	LEU	0	-0.009	-0.004	38.388	0.654	0.654	0.000	0.000	0.000	0.000
848	B	390	ILE	0	0.018	0.018	36.668	-0.789	-0.789	0.000	0.000	0.000	0.000
849	B	391	MET	0	-0.011	0.001	37.675	0.534	0.534	0.000	0.000	0.000	0.000
850	B	392	THR	0	-0.027	-0.006	36.012	-0.552	-0.552	0.000	0.000	0.000	0.000
851	B	393	ALA	0	0.016	0.003	37.707	0.515	0.515	0.000	0.000	0.000	0.000
852	B	394	GLY	0	0.001	0.004	38.409	-0.686	-0.686	0.000	0.000	0.000	0.000
853	B	395	GLY	0	0.028	-0.004	39.096	-0.836	-0.836	0.000	0.000	0.000	0.000
854	B	396	GLY	0	-0.038	-0.009	40.924	-0.713	-0.713	0.000	0.000	0.000	0.000
855	B	397	ALA	0	-0.034	-0.013	42.845	-0.749	-0.749	0.000	0.000	0.000	0.000
856	B	398	PHE	0	0.016	-0.020	41.970	-0.843	-0.843	0.000	0.000	0.000	0.000
857	B	399	GLY	0	0.038	0.019	44.572	-0.266	-0.266	0.000	0.000	0.000	0.000
858	B	400	HIS	0	-0.076	-0.040	45.591	-0.363	-0.363	0.000	0.000	0.000	0.000
859	B	401	VAL	0	-0.017	-0.020	48.723	-0.126	-0.126	0.000	0.000	0.000	0.000
860	B	402	ASP	-1	-0.857	-0.908	51.753	21.406	21.406	0.000	0.000	0.000	0.000
861	B	403	GLY	0	0.006	0.007	49.887	-0.221	-0.221	0.000	0.000	0.000	0.000
862	B	404	GLY	0	0.058	0.017	47.352	0.096	0.096	0.000	0.000	0.000	0.000
863	B	405	ALA	0	0.021	0.018	48.122	0.193	0.193	0.000	0.000	0.000	0.000
864	B	406	ALA	0	0.006	-0.005	50.687	-0.058	-0.058	0.000	0.000	0.000	0.000
865	B	407	GLY	0	0.077	0.040	47.656	0.011	0.011	0.000	0.000	0.000	0.000
866	B	408	ALA	0	0.005	0.009	46.906	0.200	0.200	0.000	0.000	0.000	0.000
867	B	409	LYS	1	0.946	0.963	47.915	-21.892	-21.892	0.000	0.000	0.000	0.000
868	B	410	SER	0	0.003	0.009	49.064	-0.045	-0.045	0.000	0.000	0.000	0.000
869	B	411	LEU	0	0.034	0.005	43.499	0.016	0.016	0.000	0.000	0.000	0.000
870	B	412	ARG	1	0.809	0.890	47.304	-24.549	-24.549	0.000	0.000	0.000	0.000
871	B	413	GLN	0	-0.042	-0.044	49.459	-0.097	-0.097	0.000	0.000	0.000	0.000
872	B	414	ALA	0	0.032	0.025	47.670	-0.230	-0.230	0.000	0.000	0.000	0.000
873	B	415	GLU	-1	-0.867	-0.918	46.271	25.092	25.092	0.000	0.000	0.000	0.000
874	B	416	GLN	0	-0.008	-0.015	48.545	-0.414	-0.414	0.000	0.000	0.000	0.000
875	B	417	CYS	0	-0.027	-0.008	51.817	-0.377	-0.377	0.000	0.000	0.000	0.000
876	B	418	TRP	0	-0.046	-0.013	46.532	-0.186	-0.186	0.000	0.000	0.000	0.000
877	B	419	LYS	1	0.927	0.967	48.819	-24.843	-24.843	0.000	0.000	0.000	0.000
878	B	420	GLN	0	-0.084	-0.048	51.599	-0.457	-0.457	0.000	0.000	0.000	0.000
879	B	421	GLY	0	0.004	0.019	53.528	-0.377	-0.377	0.000	0.000	0.000	0.000
880	B	422	ALA	0	-0.040	-0.011	54.532	-0.344	-0.344	0.000	0.000	0.000	0.000
881	B	423	ASP	-1	-0.827	-0.931	54.546	22.127	22.127	0.000	0.000	0.000	0.000
882	B	424	PRO	0	0.073	0.029	51.745	-0.299	-0.299	0.000	0.000	0.000	0.000
883	B	425	VAL	0	-0.014	-0.016	54.260	-0.198	-0.198	0.000	0.000	0.000	0.000
884	B	426	GLU	-1	-0.883	-0.957	56.778	19.469	19.469	0.000	0.000	0.000	0.000
885	B	427	PHE	0	0.012	0.015	54.571	-0.264	-0.264	0.000	0.000	0.000	0.000
886	B	428	ALA	0	-0.038	-0.023	55.671	-0.134	-0.134	0.000	0.000	0.000	0.000
887	B	429	LYS	1	0.817	0.921	57.366	-19.625	-19.625	0.000	0.000	0.000	0.000
888	B	430	ASP	-1	-0.937	-0.949	60.511	19.276	19.276	0.000	0.000	0.000	0.000
889	B	431	HIS	1	0.794	0.892	56.444	-21.094	-21.094	0.000	0.000	0.000	0.000
890	B	432	ARG	1	1.041	1.022	56.969	-20.277	-20.277	0.000	0.000	0.000	0.000
891	B	433	GLU	-1	-0.857	-0.926	53.046	21.656	21.656	0.000	0.000	0.000	0.000
892	B	434	PHE	0	0.015	0.008	49.606	0.304	0.304	0.000	0.000	0.000	0.000
893	B	435	ALA	0	0.018	0.009	52.848	0.274	0.274	0.000	0.000	0.000	0.000
894	B	436	ARG	1	0.767	0.863	54.449	-21.433	-21.433	0.000	0.000	0.000	0.000
895	B	437	ALA	0	0.019	0.027	49.110	0.252	0.252	0.000	0.000	0.000	0.000
896	B	438	PHE	0	-0.043	-0.021	49.926	0.429	0.429	0.000	0.000	0.000	0.000
897	B	439	GLU	-1	-0.937	-0.984	51.693	21.374	21.374	0.000	0.000	0.000	0.000
898	B	440	SER	0	-0.045	0.000	48.813	0.059	0.059	0.000	0.000	0.000	0.000
899	B	441	PHE	0	-0.014	0.000	44.680	0.376	0.376	0.000	0.000	0.000	0.000
900	B	442	PRO	0	0.059	0.032	47.957	0.102	0.102	0.000	0.000	0.000	0.000
901	B	443	GLN	0	0.029	0.006	45.458	0.255	0.255	0.000	0.000	0.000	0.000
902	B	444	ASP	-1	-0.800	-0.888	43.706	27.708	27.708	0.000	0.000	0.000	0.000
903	B	445	ALA	0	0.013	0.006	46.540	-0.053	-0.053	0.000	0.000	0.000	0.000
904	B	446	ASP	-1	-0.864	-0.912	50.104	22.892	22.892	0.000	0.000	0.000	0.000
905	B	447	LYS	1	0.902	0.945	42.295	-27.900	-27.900	0.000	0.000	0.000	0.000
906	B	448	LEU	0	-0.033	-0.007	44.363	0.025	0.025	0.000	0.000	0.000	0.000
907	B	449	TYR	0	-0.049	-0.048	48.269	-0.375	-0.375	0.000	0.000	0.000	0.000
908	B	450	PRO	0	0.015	0.011	51.847	-0.438	-0.438	0.000	0.000	0.000	0.000
909	B	451	ASN	0	-0.035	-0.022	54.025	-0.300	-0.300	0.000	0.000	0.000	0.000
910	B	452	TRP	0	0.027	-0.008	53.240	-0.654	-0.654	0.000	0.000	0.000	0.000
911	B	453	ARG	1	0.876	0.930	53.635	-22.486	-22.486	0.000	0.000	0.000	0.000
912	B	454	ALA	0	-0.016	0.000	59.079	-0.285	-0.285	0.000	0.000	0.000	0.000
913	B	455	LYS	1	0.900	0.955	58.898	-21.040	-21.040	0.000	0.000	0.000	0.000
914	B	456	LEU	0	-0.017	-0.004	57.107	-0.225	-0.225	0.000	0.000	0.000	0.000
915	B	457	LYS	1	0.982	1.003	60.450	-18.178	-18.178	0.000	0.000	0.000	0.000
917	B	500	CAP	-4	-3.043	-3.449	28.133	141.833	141.833	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #916(A:500:CAP)