FMO DATABASE

FMODB ID: R5848

Calculation Name: 5HK4-AB-Xray434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 5HK4

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	916
LigandResidueName	CAP
LigandFragmentNumber	915
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-27342393.029262
FMO2-HF: Nuclear repulsion	26985234.075606
FMO2-HF: Total energy	-357158.953656
FMO2-MP2: Total energy	-358191.625313

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.
-909.640	-915.962	174.771	-86.999	-81.449	-0.659

Interactive mode: IFIE and PIEDA for fragment #915(A:500:CAP)

Summations of interaction energy for fragment #915(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.
-909.64	-915.962	174.771	-86.999	-81.449	0.659

Interaction energy analysis for fragmet #915(A:500:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.218 / q_NPA : -3.631

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	0.008	0.001	1.925	-10.528	-7.957	5.748	-3.335	-4.984	0.016
166	A	166	ILE	0	0.000	0.001	4.761	2.966	3.103	-0.001	-0.007	-0.129	0.000
167	A	167	LYS	1	0.860	0.917	2.310	-228.933	-224.071	4.628	-4.093	-5.396	0.060
169	A	169	LYS	1	0.799	0.900	4.369	-159.087	-158.676	-0.001	-0.179	-0.231	0.000
192	A	192	KCX	-1	-0.465	-0.773	1.546	176.779	162.719	35.856	-13.438	-8.358	-0.122
194	A	194	ASP	0	0.211	0.043	4.310	6.503	6.650	-0.001	-0.048	-0.098	0.000
195	A	195	GLU	0	0.141	-0.039	4.169	-15.654	-15.342	-0.001	-0.062	-0.249	0.000
289	A	288	HIS	0	0.586	0.450	1.527	5.304	-0.038	13.499	-4.646	-3.511	-0.005
290	A	289	ARG	1	0.834	0.897	1.864	-269.686	-266.441	16.084	-10.650	-8.679	0.154
291	A	290	ALA	0	0.056	0.038	4.613	1.357	1.468	-0.001	-0.017	-0.093	0.000
293	A	292	HIS	0	-0.020	-0.020	3.001	-14.734	-12.954	0.322	-0.979	-1.123	0.010
323	A	322	HIS	1	0.783	0.907	1.744	-241.569	-238.749	15.053	-9.854	-8.020	0.129
324	A	323	THR	0	0.018	0.006	4.596	-6.029	-5.834	-0.001	-0.032	-0.163	0.000
325	A	324	GLY	0	0.044	0.031	3.078	-10.946	-9.020	0.182	-1.062	-1.045	0.010
326	A	325	THR	0	-0.033	-0.017	4.051	-24.043	-23.743	0.005	-0.101	-0.204	0.001
331	A	330	LYS	1	0.740	0.860	2.039	-267.876	-264.859	6.813	-4.981	-4.849	0.063
332	A	331	ALA	0	-0.015	-0.004	3.995	-9.272	-8.957	0.006	-0.110	-0.212	0.000
369	A	368	ILE	0	-0.011	-0.011	4.971	19.482	19.679	-0.001	-0.004	-0.191	0.000
370	A	369	SER	0	-0.001	-0.014	2.508	-12.751	-6.974	2.907	-3.673	-5.012	0.007
371	A	370	GLY	0	0.111	0.051	2.233	4.697	8.637	4.432	-3.745	-4.627	0.017
372	A	371	GLY	0	-0.038	-0.026	1.635	-48.202	-62.121	25.914	-6.666	-5.328	0.082
373	A	372	MET	0	-0.037	-0.008	3.272	-36.616	-36.993	0.100	1.132	-0.855	0.012
374	A	373	ASN	0	0.042	-0.006	5.057	3.420	3.550	-0.001	-0.005	-0.123	0.000
393	A	392	THR	0	-0.067	-0.020	4.154	-10.681	-10.445	-0.001	-0.030	-0.204	0.000
394	A	393	ALA	0	0.039	0.006	2.876	17.820	20.084	0.358	-1.264	-1.357	0.011
395	A	394	GLY	0	-0.005	0.002	1.707	-47.080	-53.454	18.906	-8.071	-4.462	0.092
396	A	395	GLY	0	0.031	-0.009	1.846	-51.359	-55.166	10.055	-2.727	-3.522	0.056
397	A	396	GLY	0	-0.027	-0.009	3.791	-29.643	-28.888	0.025	-0.384	-0.397	0.004
512	B	54	THR	0	-0.041	-0.026	1.804	-15.542	-16.534	10.772	-6.048	-3.732	0.060
513	B	55	ASN	0	-0.006	-0.024	4.199	-6.295	-5.603	0.007	-0.240	-0.459	0.001
514	B	56	VAL	0	-0.023	-0.003	5.009	-14.894	-14.781	-0.001	-0.001	-0.110	0.000
570	B	112	ASN	0	0.092	-0.001	2.273	-6.334	-4.129	3.110	-1.674	-3.642	0.001
571	B	113	ASN	0	-0.033	-0.035	4.935	5.243	5.334	-0.001	-0.005	-0.084	0.000
1	A	1	MET	0	-0.005	-0.016	40.469	-0.082	-0.082	0.000	0.000	0.000	0.000
2	A	2	ASP	-1	-0.834	-0.910	40.238	29.445	29.445	0.000	0.000	0.000	0.000
3	A	3	GLN	0	0.008	0.002	37.524	-0.685	-0.685	0.000	0.000	0.000	0.000
4	A	4	SER	0	0.011	-0.031	38.654	0.662	0.662	0.000	0.000	0.000	0.000
5	A	5	ASN	0	-0.038	-0.026	39.727	0.435	0.435	0.000	0.000	0.000	0.000
6	A	6	ARG	1	0.800	0.910	39.273	-29.781	-29.781	0.000	0.000	0.000	0.000
7	A	7	TYR	0	-0.001	-0.011	35.218	-0.051	-0.051	0.000	0.000	0.000	0.000
8	A	8	ALA	0	0.003	0.003	35.445	1.147	1.147	0.000	0.000	0.000	0.000
9	A	9	ASN	0	0.015	0.000	36.757	-1.106	-1.106	0.000	0.000	0.000	0.000
10	A	10	LEU	0	0.020	0.003	35.692	0.435	0.435	0.000	0.000	0.000	0.000
11	A	11	ASN	0	-0.031	-0.004	37.998	0.075	0.075	0.000	0.000	0.000	0.000
12	A	12	LEU	0	-0.040	-0.007	36.216	-0.297	-0.297	0.000	0.000	0.000	0.000
13	A	13	LYS	1	1.006	1.003	36.412	-28.026	-28.026	0.000	0.000	0.000	0.000
14	A	14	GLU	-1	-0.740	-0.890	29.262	39.434	39.434	0.000	0.000	0.000	0.000
15	A	15	SER	0	0.007	-0.008	32.927	0.343	0.343	0.000	0.000	0.000	0.000
16	A	16	GLU	-1	-0.957	-0.980	34.699	29.318	29.318	0.000	0.000	0.000	0.000
17	A	17	LEU	0	-0.008	0.006	32.353	-0.117	-0.117	0.000	0.000	0.000	0.000
18	A	18	ILE	0	-0.036	-0.015	29.455	0.289	0.289	0.000	0.000	0.000	0.000
19	A	19	ALA	0	-0.053	-0.025	32.061	0.107	0.107	0.000	0.000	0.000	0.000
20	A	20	GLY	0	0.000	0.009	35.272	-0.432	-0.432	0.000	0.000	0.000	0.000
21	A	21	GLY	0	-0.020	-0.006	32.068	-0.216	-0.216	0.000	0.000	0.000	0.000
22	A	22	ARG	1	0.884	0.926	32.848	-31.851	-31.851	0.000	0.000	0.000	0.000
23	A	23	HIS	0	0.061	0.022	30.844	-0.056	-0.056	0.000	0.000	0.000	0.000
24	A	24	VAL	0	-0.013	0.004	24.395	0.596	0.596	0.000	0.000	0.000	0.000
25	A	25	LEU	0	-0.040	0.006	26.080	-0.822	-0.822	0.000	0.000	0.000	0.000
26	A	26	CYS	0	-0.029	-0.005	22.992	2.090	2.090	0.000	0.000	0.000	0.000
27	A	27	ALA	0	0.038	0.032	22.570	-1.941	-1.941	0.000	0.000	0.000	0.000
28	A	28	TYR	0	0.033	-0.004	21.755	3.013	3.013	0.000	0.000	0.000	0.000
29	A	29	ILE	0	0.000	0.009	21.205	-1.344	-1.344	0.000	0.000	0.000	0.000
30	A	30	MET	0	-0.039	-0.017	22.915	1.244	1.244	0.000	0.000	0.000	0.000
31	A	31	LYS	1	0.948	0.972	25.678	-42.346	-42.346	0.000	0.000	0.000	0.000
32	A	32	PRO	0	0.032	0.010	27.959	0.542	0.542	0.000	0.000	0.000	0.000
33	A	33	LYS	1	0.835	0.927	28.846	-38.778	-38.778	0.000	0.000	0.000	0.000
34	A	34	ALA	0	0.000	-0.008	31.822	-0.973	-0.973	0.000	0.000	0.000	0.000
35	A	35	GLY	0	-0.011	-0.008	34.975	0.043	0.043	0.000	0.000	0.000	0.000
36	A	36	PHE	0	-0.005	-0.005	34.561	-0.489	-0.489	0.000	0.000	0.000	0.000
37	A	37	GLY	0	0.019	0.023	36.783	-0.756	-0.756	0.000	0.000	0.000	0.000
38	A	38	ASN	0	0.030	0.009	36.302	1.173	1.173	0.000	0.000	0.000	0.000
39	A	39	PHE	0	0.074	0.029	29.095	0.252	0.252	0.000	0.000	0.000	0.000
40	A	40	ILE	0	0.028	0.007	33.720	0.747	0.747	0.000	0.000	0.000	0.000
41	A	41	GLN	0	0.007	0.011	35.818	0.479	0.479	0.000	0.000	0.000	0.000
42	A	42	THR	0	-0.016	-0.011	31.065	0.155	0.155	0.000	0.000	0.000	0.000
43	A	43	ALA	0	0.001	-0.009	31.105	0.815	0.815	0.000	0.000	0.000	0.000
44	A	44	ALA	0	-0.007	0.008	32.056	0.528	0.528	0.000	0.000	0.000	0.000
45	A	45	HIS	1	0.771	0.871	33.606	-34.069	-34.069	0.000	0.000	0.000	0.000
46	A	46	PHE	0	0.042	0.007	24.196	0.236	0.236	0.000	0.000	0.000	0.000
47	A	47	VAL	0	0.014	0.013	29.572	0.894	0.894	0.000	0.000	0.000	0.000
48	A	48	ALA	0	-0.007	0.026	31.245	0.189	0.189	0.000	0.000	0.000	0.000
49	A	49	GLU	-1	-0.794	-0.901	30.006	34.642	34.642	0.000	0.000	0.000	0.000
50	A	50	SER	0	-0.022	-0.008	27.275	1.564	1.564	0.000	0.000	0.000	0.000
51	A	51	SER	0	-0.056	-0.050	28.690	0.173	0.173	0.000	0.000	0.000	0.000
52	A	52	THR	0	-0.025	-0.045	31.392	0.032	0.032	0.000	0.000	0.000	0.000
53	A	53	GLY	0	0.011	0.014	34.436	-0.986	-0.986	0.000	0.000	0.000	0.000
54	A	54	THR	0	-0.014	-0.014	34.624	0.905	0.905	0.000	0.000	0.000	0.000
55	A	55	ASN	0	-0.022	-0.034	35.988	-0.175	-0.175	0.000	0.000	0.000	0.000
56	A	56	VAL	0	-0.039	-0.009	37.399	-0.520	-0.520	0.000	0.000	0.000	0.000
57	A	57	GLU	-1	-0.936	-0.967	40.690	26.151	26.151	0.000	0.000	0.000	0.000
58	A	58	VAL	0	-0.006	-0.008	41.338	-0.178	-0.178	0.000	0.000	0.000	0.000
59	A	59	SER	0	0.005	-0.004	44.124	-0.009	-0.009	0.000	0.000	0.000	0.000
60	A	60	THR	0	-0.027	-0.055	42.630	-0.343	-0.343	0.000	0.000	0.000	0.000
61	A	61	THR	0	-0.050	-0.013	42.014	0.495	0.495	0.000	0.000	0.000	0.000
62	A	62	ASP	-1	-0.826	-0.901	43.699	26.210	26.210	0.000	0.000	0.000	0.000
63	A	63	ASP	-1	-0.865	-0.963	43.860	25.329	25.329	0.000	0.000	0.000	0.000
64	A	64	PHE	0	-0.086	-0.041	39.788	0.220	0.220	0.000	0.000	0.000	0.000
65	A	65	THR	0	-0.016	-0.031	38.739	0.802	0.802	0.000	0.000	0.000	0.000
66	A	66	ARG	1	0.933	0.969	38.984	-25.530	-25.530	0.000	0.000	0.000	0.000
67	A	67	GLY	0	-0.048	0.000	39.921	0.297	0.297	0.000	0.000	0.000	0.000
68	A	68	VAL	0	-0.056	-0.023	35.630	0.438	0.438	0.000	0.000	0.000	0.000
69	A	69	ASP	-1	-0.731	-0.820	34.922	31.271	31.271	0.000	0.000	0.000	0.000
70	A	70	ALA	0	-0.003	-0.002	30.917	0.203	0.203	0.000	0.000	0.000	0.000
71	A	71	LEU	0	-0.025	-0.020	32.441	-0.861	-0.861	0.000	0.000	0.000	0.000
72	A	72	VAL	0	0.016	0.013	31.322	1.110	1.110	0.000	0.000	0.000	0.000
73	A	73	TYR	0	-0.046	-0.030	28.800	-0.730	-0.730	0.000	0.000	0.000	0.000
74	A	74	GLU	-1	-0.890	-0.957	30.439	36.882	36.882	0.000	0.000	0.000	0.000
75	A	75	VAL	0	-0.034	-0.022	31.070	0.975	0.975	0.000	0.000	0.000	0.000
76	A	76	ASP	-1	-0.825	-0.906	29.935	35.757	35.757	0.000	0.000	0.000	0.000
77	A	77	GLU	-1	-0.912	-0.950	30.232	34.401	34.401	0.000	0.000	0.000	0.000
78	A	78	ALA	0	-0.048	-0.020	31.071	0.595	0.595	0.000	0.000	0.000	0.000
79	A	79	ASN	0	-0.059	-0.038	27.169	1.030	1.030	0.000	0.000	0.000	0.000
80	A	80	SER	0	-0.095	-0.042	26.053	1.794	1.794	0.000	0.000	0.000	0.000
81	A	81	LEU	0	-0.003	0.010	25.142	1.507	1.507	0.000	0.000	0.000	0.000
82	A	82	MET	0	-0.011	-0.003	26.425	-2.203	-2.203	0.000	0.000	0.000	0.000
83	A	83	LYS	1	0.865	0.954	26.375	-38.627	-38.627	0.000	0.000	0.000	0.000
84	A	84	ILE	0	0.001	-0.006	27.005	-1.452	-1.452	0.000	0.000	0.000	0.000
85	A	85	ALA	0	-0.018	-0.009	27.897	1.206	1.206	0.000	0.000	0.000	0.000
86	A	86	TYR	0	0.004	-0.031	25.582	-1.144	-1.144	0.000	0.000	0.000	0.000
87	A	87	PRO	0	0.037	0.035	29.858	0.711	0.711	0.000	0.000	0.000	0.000
88	A	88	ILE	0	0.009	-0.007	29.096	0.579	0.579	0.000	0.000	0.000	0.000
89	A	89	GLU	-1	-0.943	-0.978	30.739	33.490	33.490	0.000	0.000	0.000	0.000
90	A	90	LEU	0	-0.034	-0.009	30.250	-0.215	-0.215	0.000	0.000	0.000	0.000
91	A	91	PHE	0	-0.027	0.003	25.066	0.392	0.392	0.000	0.000	0.000	0.000
92	A	92	ASP	-1	-0.730	-0.877	27.458	36.811	36.811	0.000	0.000	0.000	0.000
93	A	93	ARG	1	0.822	0.901	27.679	-35.727	-35.727	0.000	0.000	0.000	0.000
94	A	94	ASN	0	-0.009	-0.004	25.991	-0.550	-0.550	0.000	0.000	0.000	0.000
95	A	95	VAL	0	-0.049	-0.048	29.887	-1.043	-1.043	0.000	0.000	0.000	0.000
96	A	96	ILE	0	-0.072	-0.022	28.850	-1.082	-1.082	0.000	0.000	0.000	0.000
97	A	97	ASP	-1	-0.765	-0.885	28.577	39.543	39.543	0.000	0.000	0.000	0.000
98	A	98	GLY	0	-0.018	-0.004	31.635	0.036	0.036	0.000	0.000	0.000	0.000
99	A	99	ARG	1	0.811	0.914	26.594	-38.659	-38.659	0.000	0.000	0.000	0.000
100	A	100	ALA	0	-0.016	-0.012	24.717	-0.646	-0.646	0.000	0.000	0.000	0.000
101	A	101	MET	0	-0.038	0.014	22.661	1.089	1.089	0.000	0.000	0.000	0.000
102	A	102	ILE	0	0.002	-0.016	16.924	-1.054	-1.054	0.000	0.000	0.000	0.000
103	A	103	ALA	0	0.022	0.012	20.147	0.314	0.314	0.000	0.000	0.000	0.000
104	A	104	SER	0	0.023	0.032	21.051	-0.966	-0.966	0.000	0.000	0.000	0.000
105	A	105	PHE	0	0.019	-0.001	18.445	-1.112	-1.112	0.000	0.000	0.000	0.000
106	A	106	LEU	0	-0.001	0.017	16.277	-0.191	-0.191	0.000	0.000	0.000	0.000
107	A	107	THR	0	0.011	0.010	20.349	0.400	0.400	0.000	0.000	0.000	0.000
108	A	108	LEU	0	-0.028	-0.007	23.395	-1.019	-1.019	0.000	0.000	0.000	0.000
109	A	109	THR	0	-0.029	-0.048	21.479	0.247	0.247	0.000	0.000	0.000	0.000
110	A	110	ILE	0	-0.097	-0.016	17.965	0.312	0.312	0.000	0.000	0.000	0.000
111	A	111	GLY	0	0.099	0.046	20.502	1.737	1.737	0.000	0.000	0.000	0.000
112	A	112	ASN	0	0.096	0.008	22.954	1.943	1.943	0.000	0.000	0.000	0.000
113	A	113	ASN	0	-0.023	-0.034	23.508	0.991	0.991	0.000	0.000	0.000	0.000
114	A	114	GLN	0	0.014	0.007	19.994	2.036	2.036	0.000	0.000	0.000	0.000
115	A	115	GLY	0	-0.015	-0.001	23.305	1.044	1.044	0.000	0.000	0.000	0.000
116	A	116	MET	0	-0.047	-0.001	25.941	-1.109	-1.109	0.000	0.000	0.000	0.000
117	A	117	GLY	0	0.044	0.027	28.657	0.698	0.698	0.000	0.000	0.000	0.000
118	A	118	ASP	-1	-0.843	-0.918	31.195	35.381	35.381	0.000	0.000	0.000	0.000
119	A	119	VAL	0	0.012	-0.001	26.473	-0.158	-0.158	0.000	0.000	0.000	0.000
120	A	120	GLU	-1	-0.978	-0.972	26.023	42.343	42.343	0.000	0.000	0.000	0.000
121	A	121	TYR	0	-0.010	-0.024	22.151	1.334	1.334	0.000	0.000	0.000	0.000
122	A	122	ALA	0	0.029	0.009	22.342	-1.581	-1.581	0.000	0.000	0.000	0.000
123	A	123	LYS	1	0.815	0.941	13.537	-70.073	-70.073	0.000	0.000	0.000	0.000
124	A	124	MET	0	0.000	0.006	18.009	-0.897	-0.897	0.000	0.000	0.000	0.000
125	A	125	TYR	0	-0.011	-0.036	17.035	3.958	3.958	0.000	0.000	0.000	0.000
126	A	126	ASP	-1	-0.749	-0.890	17.522	56.181	56.181	0.000	0.000	0.000	0.000
127	A	127	PHE	0	0.019	-0.004	16.591	-1.641	-1.641	0.000	0.000	0.000	0.000
128	A	128	TYR	0	0.001	0.023	21.212	1.279	1.279	0.000	0.000	0.000	0.000
129	A	129	VAL	0	0.017	0.005	22.316	-1.045	-1.045	0.000	0.000	0.000	0.000
130	A	130	PRO	0	0.046	0.036	24.832	-0.035	-0.035	0.000	0.000	0.000	0.000
131	A	131	PRO	0	0.085	0.023	27.636	0.590	0.590	0.000	0.000	0.000	0.000
132	A	132	ALA	0	-0.058	-0.032	29.228	0.262	0.262	0.000	0.000	0.000	0.000
133	A	133	TYR	0	0.026	0.006	24.044	0.004	0.004	0.000	0.000	0.000	0.000
134	A	134	LEU	0	0.035	0.025	22.731	0.771	0.771	0.000	0.000	0.000	0.000
135	A	135	LYS	1	0.930	0.964	24.905	-35.085	-35.085	0.000	0.000	0.000	0.000
136	A	136	LEU	0	-0.094	-0.044	26.971	-0.774	-0.774	0.000	0.000	0.000	0.000
137	A	137	PHE	0	0.024	0.015	21.115	0.102	0.102	0.000	0.000	0.000	0.000
138	A	138	ASP	-1	-0.840	-0.900	21.040	47.464	47.464	0.000	0.000	0.000	0.000
139	A	139	GLY	0	0.017	0.020	19.814	-1.052	-1.052	0.000	0.000	0.000	0.000
140	A	140	PRO	0	-0.016	-0.003	16.994	-0.665	-0.665	0.000	0.000	0.000	0.000
141	A	141	SER	0	-0.045	-0.048	19.192	-1.849	-1.849	0.000	0.000	0.000	0.000
142	A	142	THR	0	-0.043	-0.004	18.456	-1.916	-1.916	0.000	0.000	0.000	0.000
143	A	143	THR	0	0.012	-0.004	17.324	2.252	2.252	0.000	0.000	0.000	0.000
144	A	144	ILE	0	0.080	0.028	14.549	-0.660	-0.660	0.000	0.000	0.000	0.000
145	A	145	LYS	1	0.950	0.985	17.229	-49.369	-49.369	0.000	0.000	0.000	0.000
146	A	146	ASP	-1	-0.813	-0.909	20.227	50.297	50.297	0.000	0.000	0.000	0.000
147	A	147	LEU	0	0.028	0.025	14.617	-0.819	-0.819	0.000	0.000	0.000	0.000
148	A	148	TRP	0	-0.020	-0.009	17.856	-2.047	-2.047	0.000	0.000	0.000	0.000
149	A	149	ARG	1	0.845	0.909	21.067	-48.942	-48.942	0.000	0.000	0.000	0.000
150	A	150	VAL	0	-0.019	0.006	20.652	-1.764	-1.764	0.000	0.000	0.000	0.000
151	A	151	LEU	0	-0.042	-0.020	17.301	-0.683	-0.683	0.000	0.000	0.000	0.000
152	A	152	GLY	0	0.002	0.020	21.780	-0.914	-0.914	0.000	0.000	0.000	0.000
153	A	153	ARG	1	0.769	0.889	17.431	-62.731	-62.731	0.000	0.000	0.000	0.000
154	A	154	PRO	0	0.015	0.002	24.433	-0.986	-0.986	0.000	0.000	0.000	0.000
155	A	155	VAL	0	0.010	-0.003	23.625	1.872	1.872	0.000	0.000	0.000	0.000
156	A	156	ILE	0	-0.005	-0.012	23.231	1.299	1.299	0.000	0.000	0.000	0.000
157	A	157	ASN	0	-0.008	-0.003	21.101	0.823	0.823	0.000	0.000	0.000	0.000
158	A	158	GLY	0	0.059	0.021	21.239	-0.926	-0.926	0.000	0.000	0.000	0.000
159	A	159	GLY	0	-0.025	-0.005	19.599	-0.430	-0.430	0.000	0.000	0.000	0.000
160	A	160	PHE	0	0.047	0.017	10.807	1.544	1.544	0.000	0.000	0.000	0.000
161	A	161	ILE	0	-0.030	-0.006	13.197	-3.555	-3.555	0.000	0.000	0.000	0.000
162	A	162	VAL	0	-0.010	0.012	11.118	6.422	6.422	0.000	0.000	0.000	0.000
163	A	163	GLY	0	0.067	0.022	9.384	-5.286	-5.286	0.000	0.000	0.000	0.000
164	A	164	THR	0	-0.046	-0.036	5.885	8.254	8.254	0.000	0.000	0.000	0.000
168	A	168	PRO	0	0.011	0.017	7.150	-7.379	-7.379	0.000	0.000	0.000	0.000
170	A	170	LEU	0	-0.013	-0.011	7.608	-5.484	-5.484	0.000	0.000	0.000	0.000
171	A	171	GLY	0	0.047	0.018	11.194	0.228	0.228	0.000	0.000	0.000	0.000
172	A	172	LEU	0	-0.032	0.006	11.751	-4.836	-4.836	0.000	0.000	0.000	0.000
173	A	173	ARG	1	0.951	0.982	14.841	-55.353	-55.353	0.000	0.000	0.000	0.000
174	A	174	PRO	0	0.050	0.018	17.119	1.699	1.699	0.000	0.000	0.000	0.000
175	A	175	GLN	0	0.020	0.012	17.876	0.484	0.484	0.000	0.000	0.000	0.000
176	A	176	PRO	0	-0.020	-0.027	17.029	0.521	0.521	0.000	0.000	0.000	0.000
177	A	177	PHE	0	0.032	0.028	10.644	2.203	2.203	0.000	0.000	0.000	0.000
178	A	178	ALA	0	0.026	0.003	14.252	2.934	2.934	0.000	0.000	0.000	0.000
179	A	179	ASN	0	-0.040	-0.033	16.659	-1.311	-1.311	0.000	0.000	0.000	0.000
180	A	180	ALA	0	0.056	0.041	12.023	-0.420	-0.420	0.000	0.000	0.000	0.000
181	A	181	CYS	0	-0.033	-0.009	13.064	3.538	3.538	0.000	0.000	0.000	0.000
182	A	182	TYR	0	-0.037	-0.014	14.020	-0.990	-0.990	0.000	0.000	0.000	0.000
183	A	183	ASP	-1	-0.895	-0.950	14.822	62.164	62.164	0.000	0.000	0.000	0.000
184	A	184	PHE	0	-0.020	-0.005	9.436	-0.373	-0.373	0.000	0.000	0.000	0.000
185	A	185	TRP	0	0.052	0.007	13.441	-1.729	-1.729	0.000	0.000	0.000	0.000
186	A	186	LEU	0	-0.049	-0.009	15.852	-3.149	-3.149	0.000	0.000	0.000	0.000
187	A	187	GLY	0	-0.069	-0.034	15.916	-2.721	-2.721	0.000	0.000	0.000	0.000
188	A	188	GLY	0	-0.034	-0.012	13.113	0.848	0.848	0.000	0.000	0.000	0.000
189	A	189	ASP	-1	-0.785	-0.883	13.609	64.533	64.533	0.000	0.000	0.000	0.000
190	A	190	PHE	0	-0.016	-0.014	8.262	-2.408	-2.408	0.000	0.000	0.000	0.000
191	A	191	ILE	0	0.018	0.018	8.912	6.053	6.053	0.000	0.000	0.000	0.000
193	A	193	ASN	0	0.059	0.012	6.894	-0.449	-0.449	0.000	0.000	0.000	0.000
197	A	196	PRO	0	-0.038	0.011	5.768	-9.433	-9.433	0.000	0.000	0.000	0.000
198	A	197	GLN	0	-0.090	-0.039	8.040	-10.505	-10.505	0.000	0.000	0.000	0.000
199	A	198	GLY	0	0.029	0.014	10.694	0.764	0.764	0.000	0.000	0.000	0.000
200	A	199	ASN	0	-0.040	-0.025	13.875	-2.620	-2.620	0.000	0.000	0.000	0.000
201	A	200	GLN	0	0.020	0.022	13.215	-2.976	-2.976	0.000	0.000	0.000	0.000
202	A	201	VAL	0	0.011	-0.003	17.455	-1.421	-1.421	0.000	0.000	0.000	0.000
203	A	202	PHE	0	-0.023	-0.012	14.678	-2.295	-2.295	0.000	0.000	0.000	0.000
204	A	203	ALA	0	-0.044	-0.044	15.861	-0.242	-0.242	0.000	0.000	0.000	0.000
205	A	204	PRO	0	0.035	0.042	17.312	1.633	1.633	0.000	0.000	0.000	0.000
206	A	205	PHE	0	0.098	0.045	15.827	-0.196	-0.196	0.000	0.000	0.000	0.000
207	A	206	LYS	1	0.914	0.960	18.703	-43.837	-43.837	0.000	0.000	0.000	0.000
208	A	207	ASP	-1	-0.827	-0.909	21.283	45.959	45.959	0.000	0.000	0.000	0.000
209	A	208	THR	0	-0.009	-0.009	14.816	-0.105	-0.105	0.000	0.000	0.000	0.000
210	A	209	VAL	0	0.005	0.015	17.329	0.729	0.729	0.000	0.000	0.000	0.000
211	A	210	ARG	1	0.845	0.910	18.717	-46.062	-46.062	0.000	0.000	0.000	0.000
212	A	211	ALA	0	-0.003	0.013	18.985	-0.933	-0.933	0.000	0.000	0.000	0.000
213	A	212	VAL	0	0.007	-0.011	14.741	-0.129	-0.129	0.000	0.000	0.000	0.000
214	A	213	ALA	0	0.009	0.010	17.673	-0.105	-0.105	0.000	0.000	0.000	0.000
215	A	214	ASP	-1	-0.927	-0.967	20.447	45.722	45.722	0.000	0.000	0.000	0.000
216	A	215	ALA	0	-0.013	-0.010	18.012	-0.973	-0.973	0.000	0.000	0.000	0.000
217	A	216	MET	0	-0.005	0.017	17.137	-0.847	-0.847	0.000	0.000	0.000	0.000
218	A	217	ARG	1	0.960	0.982	19.696	-46.457	-46.457	0.000	0.000	0.000	0.000
219	A	218	ARG	1	0.908	0.960	20.647	-51.632	-51.632	0.000	0.000	0.000	0.000
220	A	219	ALA	0	0.016	-0.004	19.475	-0.932	-0.932	0.000	0.000	0.000	0.000
221	A	220	GLN	0	-0.011	-0.005	20.949	1.303	1.303	0.000	0.000	0.000	0.000
222	A	221	ASP	-1	-0.950	-0.958	23.028	39.694	39.694	0.000	0.000	0.000	0.000
223	A	222	LYS	1	0.871	0.960	23.478	-45.142	-45.142	0.000	0.000	0.000	0.000
224	A	223	THR	0	-0.061	-0.057	20.621	-0.700	-0.700	0.000	0.000	0.000	0.000
225	A	224	GLY	0	0.008	0.019	24.016	-0.686	-0.686	0.000	0.000	0.000	0.000
226	A	225	GLU	-1	-0.949	-0.967	20.910	53.687	53.687	0.000	0.000	0.000	0.000
227	A	226	ALA	0	-0.013	-0.011	21.442	0.332	0.332	0.000	0.000	0.000	0.000
228	A	227	LYS	1	0.798	0.892	16.881	-58.332	-58.332	0.000	0.000	0.000	0.000
229	A	228	LEU	0	0.007	-0.005	14.448	-1.500	-1.500	0.000	0.000	0.000	0.000
230	A	229	PHE	0	-0.013	-0.019	11.215	3.627	3.627	0.000	0.000	0.000	0.000
231	A	230	SER	0	0.003	0.010	9.363	-3.034	-3.034	0.000	0.000	0.000	0.000
232	A	231	PHE	0	0.014	0.007	10.073	4.871	4.871	0.000	0.000	0.000	0.000
233	A	232	ASN	0	0.014	0.017	8.989	-0.779	-0.779	0.000	0.000	0.000	0.000
234	A	233	ILE	0	-0.056	-0.028	10.849	-4.116	-4.116	0.000	0.000	0.000	0.000
235	A	234	THR	0	0.022	0.006	10.611	-3.806	-3.806	0.000	0.000	0.000	0.000
236	A	235	ALA	0	0.006	-0.015	13.550	-1.054	-1.054	0.000	0.000	0.000	0.000
237	A	236	ASP	-1	-0.796	-0.890	16.749	58.690	58.690	0.000	0.000	0.000	0.000
238	A	237	ASP	-1	-0.799	-0.899	19.365	44.036	44.036	0.000	0.000	0.000	0.000
239	A	238	HIS	1	0.924	0.940	20.926	-45.686	-45.686	0.000	0.000	0.000	0.000
240	A	239	TYR	0	0.027	-0.006	22.037	0.492	0.492	0.000	0.000	0.000	0.000
241	A	240	GLU	-1	-0.734	-0.835	19.062	51.625	51.625	0.000	0.000	0.000	0.000
242	A	241	MET	0	-0.052	-0.019	15.473	0.714	0.714	0.000	0.000	0.000	0.000
243	A	242	LEU	0	-0.027	-0.009	19.122	0.850	0.850	0.000	0.000	0.000	0.000
244	A	243	ALA	0	0.037	0.030	22.058	-0.218	-0.218	0.000	0.000	0.000	0.000
245	A	244	ARG	1	0.754	0.854	14.754	-62.513	-62.513	0.000	0.000	0.000	0.000
246	A	245	GLY	0	0.031	0.009	18.592	0.540	0.540	0.000	0.000	0.000	0.000
247	A	246	GLU	-1	-0.905	-0.974	19.464	43.406	43.406	0.000	0.000	0.000	0.000
248	A	247	PHE	0	0.011	0.004	21.091	-1.147	-1.147	0.000	0.000	0.000	0.000
249	A	248	ILE	0	-0.020	0.007	16.170	-0.395	-0.395	0.000	0.000	0.000	0.000
250	A	249	LEU	0	-0.009	-0.004	19.946	-0.391	-0.391	0.000	0.000	0.000	0.000
251	A	250	GLU	-1	-0.951	-0.962	22.337	39.232	39.232	0.000	0.000	0.000	0.000
252	A	251	THR	0	-0.089	-0.062	22.367	-1.224	-1.224	0.000	0.000	0.000	0.000
253	A	252	PHE	0	-0.052	-0.047	17.526	0.103	0.103	0.000	0.000	0.000	0.000
254	A	253	ALA	0	0.009	0.027	23.103	-0.575	-0.575	0.000	0.000	0.000	0.000
255	A	254	ASP	-1	-0.933	-0.962	25.876	43.165	43.165	0.000	0.000	0.000	0.000
256	A	255	ASN	0	-0.002	-0.012	21.605	0.508	0.508	0.000	0.000	0.000	0.000
257	A	256	ALA	0	0.033	0.014	21.370	2.802	2.802	0.000	0.000	0.000	0.000
258	A	257	ASP	-1	-0.885	-0.945	20.741	50.692	50.692	0.000	0.000	0.000	0.000
259	A	258	HIS	1	0.804	0.897	18.725	-50.997	-50.997	0.000	0.000	0.000	0.000
260	A	259	ILE	0	-0.007	0.003	15.893	3.990	3.990	0.000	0.000	0.000	0.000
261	A	260	ALA	0	-0.047	-0.019	12.584	-1.190	-1.190	0.000	0.000	0.000	0.000
262	A	261	PHE	0	0.000	-0.010	13.244	0.390	0.390	0.000	0.000	0.000	0.000
263	A	262	LEU	0	-0.021	-0.014	5.442	1.610	1.610	0.000	0.000	0.000	0.000
264	A	263	VAL	0	0.018	-0.002	9.978	-4.545	-4.545	0.000	0.000	0.000	0.000
265	A	264	ASP	-1	-0.827	-0.933	7.374	117.203	117.203	0.000	0.000	0.000	0.000
266	A	265	GLY	0	-0.021	-0.020	9.440	-5.953	-5.953	0.000	0.000	0.000	0.000
267	A	266	TYR	0	-0.061	-0.013	8.308	-4.615	-4.615	0.000	0.000	0.000	0.000
268	A	267	VAL	0	-0.012	-0.004	9.907	-5.502	-5.502	0.000	0.000	0.000	0.000
269	A	268	ALA	0	0.003	0.000	12.077	-5.671	-5.671	0.000	0.000	0.000	0.000
270	A	269	GLY	0	0.043	0.019	13.235	-5.105	-5.105	0.000	0.000	0.000	0.000
271	A	270	PRO	0	0.015	-0.006	14.889	1.214	1.214	0.000	0.000	0.000	0.000
272	A	271	ALA	0	0.038	0.034	16.110	-0.835	-0.835	0.000	0.000	0.000	0.000
273	A	272	ALA	0	0.021	0.008	15.315	-1.575	-1.575	0.000	0.000	0.000	0.000
274	A	273	VAL	0	-0.030	-0.013	12.842	0.570	0.570	0.000	0.000	0.000	0.000
275	A	274	THR	0	0.030	0.011	15.585	-0.951	-0.951	0.000	0.000	0.000	0.000
276	A	275	THR	0	0.005	0.020	19.145	-3.220	-3.220	0.000	0.000	0.000	0.000
277	A	276	ALA	0	0.012	0.011	16.337	-1.652	-1.652	0.000	0.000	0.000	0.000
278	A	277	ARG	1	0.808	0.918	17.951	-54.012	-54.012	0.000	0.000	0.000	0.000
279	A	278	ARG	1	0.753	0.844	19.479	-46.809	-46.809	0.000	0.000	0.000	0.000
280	A	279	ALA	0	-0.020	0.010	21.668	-1.911	-1.911	0.000	0.000	0.000	0.000
281	A	280	PHE	0	-0.012	-0.012	19.179	-1.136	-1.136	0.000	0.000	0.000	0.000
282	A	281	PRO	0	0.048	0.042	20.125	2.107	2.107	0.000	0.000	0.000	0.000
283	A	282	LYS	1	0.918	0.978	21.810	-45.710	-45.710	0.000	0.000	0.000	0.000
284	A	283	GLN	0	-0.018	-0.006	17.851	-2.305	-2.305	0.000	0.000	0.000	0.000
285	A	284	TYR	0	0.002	-0.007	11.833	2.741	2.741	0.000	0.000	0.000	0.000
286	A	285	LEU	0	0.022	0.012	13.175	2.265	2.265	0.000	0.000	0.000	0.000
287	A	286	HIS	0	0.001	-0.028	6.787	11.533	11.533	0.000	0.000	0.000	0.000
288	A	287	TYR	0	0.050	0.019	7.254	1.658	1.658	0.000	0.000	0.000	0.000
292	A	291	GLY	0	0.048	0.020	5.424	-13.284	-13.284	0.000	0.000	0.000	0.000
294	A	293	GLY	0	0.009	0.016	6.747	-8.729	-8.729	0.000	0.000	0.000	0.000
295	A	294	ALA	0	0.023	0.012	8.193	-7.345	-7.345	0.000	0.000	0.000	0.000
296	A	295	VAL	0	-0.036	-0.020	10.985	-6.197	-6.197	0.000	0.000	0.000	0.000
297	A	296	THR	0	-0.048	-0.029	8.362	-0.139	-0.139	0.000	0.000	0.000	0.000
298	A	297	SER	0	-0.031	-0.016	10.028	-4.375	-4.375	0.000	0.000	0.000	0.000
299	A	298	PRO	0	0.012	-0.011	10.589	-5.742	-5.742	0.000	0.000	0.000	0.000
300	A	299	GLN	0	0.010	0.018	13.370	-3.235	-3.235	0.000	0.000	0.000	0.000
301	A	300	SER	0	-0.010	0.006	14.128	-5.535	-5.535	0.000	0.000	0.000	0.000
302	A	301	LYS	1	0.942	0.971	15.945	-50.100	-50.100	0.000	0.000	0.000	0.000
303	A	302	ARG	1	0.816	0.895	17.445	-52.867	-52.867	0.000	0.000	0.000	0.000
304	A	303	GLY	0	0.059	0.026	15.938	3.703	3.703	0.000	0.000	0.000	0.000
305	A	304	TYR	0	0.019	0.005	11.202	-1.356	-1.356	0.000	0.000	0.000	0.000
306	A	305	THR	0	0.042	0.020	12.570	5.524	5.524	0.000	0.000	0.000	0.000
307	A	306	ALA	0	0.077	0.021	7.871	0.445	0.445	0.000	0.000	0.000	0.000
308	A	307	PHE	0	0.014	0.009	9.703	2.417	2.417	0.000	0.000	0.000	0.000
309	A	308	VAL	0	0.030	0.014	12.448	-1.461	-1.461	0.000	0.000	0.000	0.000
310	A	309	LEU	0	0.002	0.003	7.228	-1.132	-1.132	0.000	0.000	0.000	0.000
311	A	310	SER	0	-0.005	-0.015	9.226	2.842	2.842	0.000	0.000	0.000	0.000
312	A	311	LYS	1	0.815	0.912	10.817	-57.187	-57.187	0.000	0.000	0.000	0.000
313	A	312	MET	0	-0.002	-0.005	13.590	-4.293	-4.293	0.000	0.000	0.000	0.000
314	A	313	ALA	0	0.023	0.020	10.904	-2.585	-2.585	0.000	0.000	0.000	0.000
315	A	314	ARG	1	0.802	0.911	12.970	-59.905	-59.905	0.000	0.000	0.000	0.000
316	A	315	LEU	0	-0.011	-0.014	15.471	-2.997	-2.997	0.000	0.000	0.000	0.000
317	A	316	GLN	0	-0.010	-0.019	13.838	-1.952	-1.952	0.000	0.000	0.000	0.000
318	A	317	GLY	0	0.015	0.016	16.522	-1.911	-1.911	0.000	0.000	0.000	0.000
319	A	318	ALA	0	-0.019	-0.008	11.850	0.132	0.132	0.000	0.000	0.000	0.000
320	A	319	SER	0	0.014	0.019	13.966	-1.778	-1.778	0.000	0.000	0.000	0.000
321	A	320	GLY	0	0.001	-0.008	10.975	-1.755	-1.755	0.000	0.000	0.000	0.000
322	A	321	ILE	0	0.008	0.002	6.668	-0.745	-0.745	0.000	0.000	0.000	0.000
327	A	326	MET	0	-0.042	-0.012	6.670	-15.272	-15.272	0.000	0.000	0.000	0.000
328	A	327	GLY	0	0.066	0.044	8.189	-8.808	-8.808	0.000	0.000	0.000	0.000
329	A	328	PHE	0	-0.043	-0.020	9.604	-5.315	-5.315	0.000	0.000	0.000	0.000
330	A	329	GLY	0	0.007	-0.002	7.167	-0.449	-0.449	0.000	0.000	0.000	0.000
333	A	332	GLU	-1	-0.860	-0.916	5.937	83.799	83.799	0.000	0.000	0.000	0.000
334	A	333	GLY	0	-0.019	-0.009	5.984	13.181	13.181	0.000	0.000	0.000	0.000
335	A	334	GLU	-1	-0.907	-0.957	7.995	71.138	71.138	0.000	0.000	0.000	0.000
336	A	335	ALA	0	0.043	0.026	10.971	2.951	2.951	0.000	0.000	0.000	0.000
337	A	336	ALA	0	-0.014	-0.012	13.356	-1.148	-1.148	0.000	0.000	0.000	0.000
338	A	337	ASP	-1	-0.825	-0.921	8.760	96.653	96.653	0.000	0.000	0.000	0.000
339	A	338	ARG	1	0.878	0.932	11.452	-63.019	-63.019	0.000	0.000	0.000	0.000
340	A	339	ALA	0	-0.012	-0.008	13.457	-1.465	-1.465	0.000	0.000	0.000	0.000
341	A	340	ILE	0	-0.017	-0.010	9.376	-3.048	-3.048	0.000	0.000	0.000	0.000
342	A	341	ALA	0	-0.018	-0.012	11.686	-0.763	-0.763	0.000	0.000	0.000	0.000
343	A	342	TYR	0	0.006	-0.037	12.870	-2.516	-2.516	0.000	0.000	0.000	0.000
344	A	343	MET	0	-0.011	0.024	15.433	-3.527	-3.527	0.000	0.000	0.000	0.000
345	A	344	ILE	0	-0.031	-0.021	11.031	-2.107	-2.107	0.000	0.000	0.000	0.000
346	A	345	THR	0	-0.033	-0.013	14.323	0.414	0.414	0.000	0.000	0.000	0.000
347	A	346	GLU	-1	-0.900	-0.938	16.895	52.712	52.712	0.000	0.000	0.000	0.000
348	A	347	ASP	-1	-0.881	-0.931	20.350	45.569	45.569	0.000	0.000	0.000	0.000
349	A	348	ALA	0	0.011	0.006	23.298	-1.189	-1.189	0.000	0.000	0.000	0.000
350	A	349	ALA	0	-0.016	-0.006	19.917	1.116	1.116	0.000	0.000	0.000	0.000
351	A	350	ASP	-1	-0.862	-0.915	21.477	44.652	44.652	0.000	0.000	0.000	0.000
352	A	351	GLY	0	-0.002	-0.009	18.892	2.988	2.988	0.000	0.000	0.000	0.000
353	A	352	PRO	0	-0.090	-0.047	17.530	-1.774	-1.774	0.000	0.000	0.000	0.000
354	A	353	TYR	0	-0.039	-0.024	20.323	-2.260	-2.260	0.000	0.000	0.000	0.000
355	A	354	PHE	0	-0.035	0.001	22.374	-2.120	-2.120	0.000	0.000	0.000	0.000
356	A	355	HIS	1	0.849	0.927	22.785	-42.026	-42.026	0.000	0.000	0.000	0.000
357	A	356	GLN	0	-0.023	-0.041	21.170	-0.493	-0.493	0.000	0.000	0.000	0.000
358	A	357	GLU	-1	-0.841	-0.926	23.838	42.665	42.665	0.000	0.000	0.000	0.000
359	A	358	TRP	0	0.004	-0.020	17.952	0.154	0.154	0.000	0.000	0.000	0.000
360	A	359	LEU	0	-0.048	-0.023	24.005	-0.420	-0.420	0.000	0.000	0.000	0.000
361	A	360	GLY	0	0.010	0.007	25.969	-0.895	-0.895	0.000	0.000	0.000	0.000
362	A	361	MET	0	-0.065	-0.009	20.813	1.331	1.331	0.000	0.000	0.000	0.000
363	A	362	ASN	0	-0.039	-0.025	20.274	0.271	0.271	0.000	0.000	0.000	0.000
364	A	363	PRO	0	-0.011	0.007	17.258	1.166	1.166	0.000	0.000	0.000	0.000
365	A	364	THR	0	-0.021	-0.014	11.741	-0.855	-0.855	0.000	0.000	0.000	0.000
366	A	365	THR	0	-0.036	-0.035	11.314	-0.822	-0.822	0.000	0.000	0.000	0.000
367	A	366	PRO	0	0.031	0.011	9.129	5.105	5.105	0.000	0.000	0.000	0.000
368	A	367	ILE	0	-0.059	-0.013	5.719	-3.586	-3.586	0.000	0.000	0.000	0.000
375	A	374	ALA	0	0.029	0.001	7.831	-3.978	-3.978	0.000	0.000	0.000	0.000
376	A	375	LEU	0	-0.015	-0.006	11.334	-4.734	-4.734	0.000	0.000	0.000	0.000
377	A	376	ARG	1	0.849	0.918	8.308	-112.984	-112.984	0.000	0.000	0.000	0.000
378	A	377	MET	0	-0.065	-0.008	9.972	1.312	1.312	0.000	0.000	0.000	0.000
379	A	378	PRO	0	0.009	0.005	12.267	-1.378	-1.378	0.000	0.000	0.000	0.000
380	A	379	GLY	0	0.056	0.034	15.434	-2.189	-2.189	0.000	0.000	0.000	0.000
381	A	380	PHE	0	-0.005	-0.001	9.340	-0.475	-0.475	0.000	0.000	0.000	0.000
382	A	381	PHE	0	0.009	-0.020	13.084	-0.019	-0.019	0.000	0.000	0.000	0.000
383	A	382	ASP	-1	-0.885	-0.921	15.820	58.519	58.519	0.000	0.000	0.000	0.000
384	A	383	ASN	0	-0.056	-0.016	13.113	-7.089	-7.089	0.000	0.000	0.000	0.000
385	A	384	LEU	0	-0.025	0.003	12.197	-1.057	-1.057	0.000	0.000	0.000	0.000
386	A	385	GLY	0	0.043	0.037	15.556	-3.072	-3.072	0.000	0.000	0.000	0.000
387	A	386	HIS	0	-0.029	-0.027	14.577	-3.623	-3.623	0.000	0.000	0.000	0.000
388	A	387	SER	0	0.020	0.001	15.137	2.912	2.912	0.000	0.000	0.000	0.000
389	A	388	ASN	0	-0.042	-0.022	15.898	0.477	0.477	0.000	0.000	0.000	0.000
390	A	389	LEU	0	-0.009	-0.003	10.539	-0.262	-0.262	0.000	0.000	0.000	0.000
391	A	390	ILE	0	0.008	0.010	9.259	-3.047	-3.047	0.000	0.000	0.000	0.000
392	A	391	MET	0	0.004	0.017	7.345	6.338	6.338	0.000	0.000	0.000	0.000
398	A	397	ALA	0	-0.039	-0.009	5.862	-18.465	-18.465	0.000	0.000	0.000	0.000
399	A	398	PHE	0	0.016	-0.018	6.679	-15.496	-15.496	0.000	0.000	0.000	0.000
400	A	399	GLY	0	0.040	0.018	7.374	-6.724	-6.724	0.000	0.000	0.000	0.000
401	A	400	HIS	0	-0.069	-0.019	8.553	-6.423	-6.423	0.000	0.000	0.000	0.000
402	A	401	VAL	0	-0.006	-0.011	11.458	-2.533	-2.533	0.000	0.000	0.000	0.000
403	A	402	ASP	-1	-0.844	-0.902	14.695	54.922	54.922	0.000	0.000	0.000	0.000
404	A	403	GLY	0	0.011	0.008	13.647	-2.654	-2.654	0.000	0.000	0.000	0.000
405	A	404	GLY	0	0.061	0.023	11.242	2.407	2.407	0.000	0.000	0.000	0.000
406	A	405	ALA	0	0.018	0.017	12.231	2.239	2.239	0.000	0.000	0.000	0.000
407	A	406	ALA	0	-0.017	-0.009	14.926	-0.486	-0.486	0.000	0.000	0.000	0.000
408	A	407	GLY	0	0.072	0.028	10.894	0.161	0.161	0.000	0.000	0.000	0.000
409	A	408	ALA	0	0.005	0.035	11.147	3.067	3.067	0.000	0.000	0.000	0.000
410	A	409	LYS	1	0.952	0.970	12.076	-56.957	-56.957	0.000	0.000	0.000	0.000
411	A	410	SER	0	-0.063	-0.043	11.616	-0.700	-0.700	0.000	0.000	0.000	0.000
412	A	411	LEU	0	0.041	0.002	7.685	-0.872	-0.872	0.000	0.000	0.000	0.000
413	A	412	ARG	1	0.799	0.875	11.734	-68.415	-68.415	0.000	0.000	0.000	0.000
414	A	413	GLN	0	-0.021	-0.029	14.988	-1.631	-1.631	0.000	0.000	0.000	0.000
415	A	414	ALA	0	0.024	0.013	13.288	-2.512	-2.512	0.000	0.000	0.000	0.000
416	A	415	GLU	-1	-0.856	-0.926	14.471	63.374	63.374	0.000	0.000	0.000	0.000
417	A	416	GLN	0	-0.017	-0.017	16.119	-3.144	-3.144	0.000	0.000	0.000	0.000
418	A	417	CYS	0	-0.022	-0.004	18.474	-3.093	-3.093	0.000	0.000	0.000	0.000
419	A	418	TRP	0	-0.039	-0.015	17.913	-1.436	-1.436	0.000	0.000	0.000	0.000
420	A	419	LYS	1	0.931	0.964	19.811	-60.601	-60.601	0.000	0.000	0.000	0.000
421	A	420	GLN	0	-0.086	-0.035	22.020	-2.630	-2.630	0.000	0.000	0.000	0.000
422	A	421	GLY	0	0.002	0.021	23.236	-1.965	-1.965	0.000	0.000	0.000	0.000
423	A	422	ALA	0	-0.039	-0.010	23.430	-1.751	-1.751	0.000	0.000	0.000	0.000
424	A	423	ASP	-1	-0.841	-0.940	23.002	50.167	50.167	0.000	0.000	0.000	0.000
425	A	424	PRO	0	0.056	0.022	18.896	-0.551	-0.551	0.000	0.000	0.000	0.000
426	A	425	VAL	0	-0.021	-0.022	20.940	0.038	0.038	0.000	0.000	0.000	0.000
427	A	426	GLU	-1	-0.854	-0.933	22.853	40.521	40.521	0.000	0.000	0.000	0.000
428	A	427	PHE	0	0.022	0.010	19.324	-0.844	-0.844	0.000	0.000	0.000	0.000
429	A	428	ALA	0	-0.030	-0.007	20.559	-0.056	-0.056	0.000	0.000	0.000	0.000
430	A	429	LYS	1	0.819	0.917	21.935	-40.742	-40.742	0.000	0.000	0.000	0.000
431	A	430	ASP	-1	-0.917	-0.936	24.799	40.953	40.953	0.000	0.000	0.000	0.000
432	A	431	HIS	1	0.789	0.880	20.464	-50.043	-50.043	0.000	0.000	0.000	0.000
433	A	432	ARG	1	1.030	1.019	20.541	-48.204	-48.204	0.000	0.000	0.000	0.000
434	A	433	GLU	-1	-0.851	-0.928	16.259	56.436	56.436	0.000	0.000	0.000	0.000
435	A	434	PHE	0	0.004	0.000	15.002	3.547	3.547	0.000	0.000	0.000	0.000
436	A	435	ALA	0	0.023	0.005	16.656	2.016	2.016	0.000	0.000	0.000	0.000
437	A	436	ARG	1	0.710	0.834	17.304	-56.271	-56.271	0.000	0.000	0.000	0.000
438	A	437	ALA	0	0.030	0.025	12.778	2.174	2.174	0.000	0.000	0.000	0.000
439	A	438	PHE	0	-0.016	-0.012	14.066	3.173	3.173	0.000	0.000	0.000	0.000
440	A	439	GLU	-1	-0.952	-0.992	16.547	53.393	53.393	0.000	0.000	0.000	0.000
441	A	440	SER	0	-0.031	0.001	12.110	-0.596	-0.596	0.000	0.000	0.000	0.000
442	A	441	PHE	0	-0.008	0.002	8.370	3.699	3.699	0.000	0.000	0.000	0.000
443	A	442	PRO	0	0.023	0.014	13.030	-1.129	-1.129	0.000	0.000	0.000	0.000
444	A	443	GLN	0	0.049	0.018	13.938	0.614	0.614	0.000	0.000	0.000	0.000
445	A	444	ASP	-1	-0.790	-0.898	10.243	96.914	96.914	0.000	0.000	0.000	0.000
446	A	445	ALA	0	-0.029	-0.012	13.885	-2.225	-2.225	0.000	0.000	0.000	0.000
447	A	446	ASP	-1	-0.894	-0.936	16.735	54.004	54.004	0.000	0.000	0.000	0.000
448	A	447	LYS	1	0.901	0.957	16.660	-60.270	-60.270	0.000	0.000	0.000	0.000
449	A	448	LEU	0	-0.044	-0.019	13.365	-1.719	-1.719	0.000	0.000	0.000	0.000
450	A	449	TYR	0	-0.004	-0.021	16.652	-3.633	-3.633	0.000	0.000	0.000	0.000
451	A	450	PRO	0	0.020	0.025	20.755	-0.456	-0.456	0.000	0.000	0.000	0.000
452	A	451	ASN	0	-0.035	-0.030	23.450	-0.606	-0.606	0.000	0.000	0.000	0.000
453	A	452	TRP	0	0.052	0.004	19.854	-2.271	-2.271	0.000	0.000	0.000	0.000
454	A	453	ARG	1	0.930	0.966	20.560	-52.836	-52.836	0.000	0.000	0.000	0.000
455	A	454	ALA	0	-0.035	-0.012	25.063	-1.057	-1.057	0.000	0.000	0.000	0.000
456	A	455	LYS	1	0.919	0.971	25.972	-46.042	-46.042	0.000	0.000	0.000	0.000
457	A	456	LEU	0	-0.009	0.012	21.832	-0.400	-0.400	0.000	0.000	0.000	0.000
458	A	457	LYS	1	0.965	0.992	23.886	-42.624	-42.624	0.000	0.000	0.000	0.000
459	B	1	MET	0	0.005	-0.014	11.161	0.312	0.312	0.000	0.000	0.000	0.000
460	B	2	ASP	-1	-0.845	-0.909	12.725	66.857	66.857	0.000	0.000	0.000	0.000
461	B	3	GLN	0	0.013	0.005	8.856	-3.715	-3.715	0.000	0.000	0.000	0.000
462	B	4	SER	0	0.013	-0.030	14.554	-0.306	-0.306	0.000	0.000	0.000	0.000
463	B	5	ASN	0	-0.032	-0.024	17.876	-1.804	-1.804	0.000	0.000	0.000	0.000
464	B	6	ARG	1	0.790	0.900	10.938	-83.062	-83.062	0.000	0.000	0.000	0.000
465	B	7	TYR	0	-0.021	-0.036	11.089	0.783	0.783	0.000	0.000	0.000	0.000
466	B	8	ALA	0	0.024	0.003	16.557	0.113	0.113	0.000	0.000	0.000	0.000
467	B	9	ASN	0	-0.005	-0.006	19.956	-2.738	-2.738	0.000	0.000	0.000	0.000
468	B	10	LEU	0	0.011	0.003	23.388	-0.626	-0.626	0.000	0.000	0.000	0.000
469	B	11	ASN	0	-0.028	0.000	25.971	-1.861	-1.861	0.000	0.000	0.000	0.000
470	B	12	LEU	0	-0.055	-0.013	24.067	-1.460	-1.460	0.000	0.000	0.000	0.000
471	B	13	LYS	1	1.012	1.005	28.078	-35.449	-35.449	0.000	0.000	0.000	0.000
472	B	14	GLU	-1	-0.725	-0.866	27.546	43.429	43.429	0.000	0.000	0.000	0.000
473	B	15	SER	0	0.014	-0.006	29.309	0.141	0.141	0.000	0.000	0.000	0.000
474	B	16	GLU	-1	-0.956	-0.982	31.587	36.452	36.452	0.000	0.000	0.000	0.000
475	B	17	LEU	0	-0.013	0.003	25.210	0.115	0.115	0.000	0.000	0.000	0.000
476	B	18	ILE	0	-0.027	-0.007	28.259	0.481	0.481	0.000	0.000	0.000	0.000
477	B	19	ALA	0	-0.042	-0.019	29.724	-0.319	-0.319	0.000	0.000	0.000	0.000
478	B	20	GLY	0	-0.020	-0.003	29.744	-0.543	-0.543	0.000	0.000	0.000	0.000
479	B	21	GLY	0	-0.006	-0.003	28.602	-0.181	-0.181	0.000	0.000	0.000	0.000
480	B	22	ARG	1	0.864	0.922	24.441	-45.956	-45.956	0.000	0.000	0.000	0.000
481	B	23	HIS	0	0.033	0.006	21.625	0.582	0.582	0.000	0.000	0.000	0.000
482	B	24	VAL	0	-0.001	0.006	19.365	-1.958	-1.958	0.000	0.000	0.000	0.000
483	B	25	LEU	0	-0.038	0.012	20.686	2.076	2.076	0.000	0.000	0.000	0.000
484	B	26	CYS	0	-0.033	-0.003	16.831	-0.778	-0.778	0.000	0.000	0.000	0.000
485	B	27	ALA	0	0.035	0.028	20.058	0.331	0.331	0.000	0.000	0.000	0.000
486	B	28	TYR	0	0.015	-0.007	14.748	1.571	1.571	0.000	0.000	0.000	0.000
487	B	29	ILE	0	0.012	0.014	19.403	-1.739	-1.739	0.000	0.000	0.000	0.000
488	B	30	MET	0	-0.049	-0.023	15.869	2.368	2.368	0.000	0.000	0.000	0.000
489	B	31	LYS	1	0.978	0.989	17.993	-57.709	-57.709	0.000	0.000	0.000	0.000
490	B	32	PRO	0	0.031	0.003	16.851	3.269	3.269	0.000	0.000	0.000	0.000
491	B	33	LYS	1	0.819	0.927	12.069	-89.253	-89.253	0.000	0.000	0.000	0.000
492	B	34	ALA	0	-0.016	-0.016	17.245	-0.466	-0.466	0.000	0.000	0.000	0.000
493	B	35	GLY	0	-0.006	-0.007	18.643	1.723	1.723	0.000	0.000	0.000	0.000
494	B	36	PHE	0	0.006	0.001	12.718	3.189	3.189	0.000	0.000	0.000	0.000
495	B	37	GLY	0	0.026	0.025	16.161	-3.096	-3.096	0.000	0.000	0.000	0.000
496	B	38	ASN	0	0.019	0.007	17.624	1.031	1.031	0.000	0.000	0.000	0.000
497	B	39	PHE	0	0.080	0.028	18.890	3.474	3.474	0.000	0.000	0.000	0.000
498	B	40	ILE	0	0.047	0.013	19.216	2.460	2.460	0.000	0.000	0.000	0.000
499	B	41	GLN	0	-0.002	0.009	16.419	2.604	2.604	0.000	0.000	0.000	0.000
500	B	42	THR	0	-0.019	-0.007	14.475	5.322	5.322	0.000	0.000	0.000	0.000
501	B	43	ALA	0	0.009	-0.006	14.383	4.853	4.853	0.000	0.000	0.000	0.000
502	B	44	ALA	0	-0.012	0.005	15.319	2.148	2.148	0.000	0.000	0.000	0.000
503	B	45	HIS	1	0.771	0.872	6.721	-117.406	-117.406	0.000	0.000	0.000	0.000
504	B	46	PHE	0	0.051	0.009	10.648	8.790	8.790	0.000	0.000	0.000	0.000
505	B	47	VAL	0	0.018	0.014	11.188	3.742	3.742	0.000	0.000	0.000	0.000
506	B	48	ALA	0	-0.008	0.027	9.223	1.719	1.719	0.000	0.000	0.000	0.000
507	B	49	GLU	-1	-0.799	-0.898	5.444	180.295	180.295	0.000	0.000	0.000	0.000
508	B	50	SER	0	-0.017	0.003	7.538	5.119	5.119	0.000	0.000	0.000	0.000
509	B	51	SER	0	-0.034	-0.040	10.208	-7.484	-7.484	0.000	0.000	0.000	0.000
510	B	52	THR	0	-0.038	-0.042	10.329	4.456	4.456	0.000	0.000	0.000	0.000
511	B	53	GLY	0	0.002	0.009	7.776	0.361	0.361	0.000	0.000	0.000	0.000
515	B	57	GLU	-1	-0.931	-0.966	6.657	80.915	80.915	0.000	0.000	0.000	0.000
516	B	58	VAL	0	-0.006	-0.010	5.871	3.400	3.400	0.000	0.000	0.000	0.000
517	B	59	SER	0	0.003	-0.005	8.981	-5.641	-5.641	0.000	0.000	0.000	0.000
518	B	60	THR	0	-0.030	-0.044	9.505	-4.159	-4.159	0.000	0.000	0.000	0.000
519	B	61	THR	0	-0.049	-0.018	10.363	-0.422	-0.422	0.000	0.000	0.000	0.000
520	B	62	ASP	-1	-0.824	-0.900	12.643	60.826	60.826	0.000	0.000	0.000	0.000
521	B	63	ASP	-1	-0.866	-0.965	16.216	54.960	54.960	0.000	0.000	0.000	0.000
522	B	64	PHE	0	-0.086	-0.040	18.052	-1.544	-1.544	0.000	0.000	0.000	0.000
523	B	65	THR	0	-0.018	-0.033	12.252	1.408	1.408	0.000	0.000	0.000	0.000
524	B	66	ARG	1	0.933	0.975	14.938	-63.711	-63.711	0.000	0.000	0.000	0.000
525	B	67	GLY	0	-0.035	0.005	16.780	-1.035	-1.035	0.000	0.000	0.000	0.000
526	B	68	VAL	0	-0.060	-0.025	15.499	-1.908	-1.908	0.000	0.000	0.000	0.000
527	B	69	ASP	-1	-0.720	-0.807	14.367	77.255	77.255	0.000	0.000	0.000	0.000
528	B	70	ALA	0	0.003	-0.003	15.214	-3.646	-3.646	0.000	0.000	0.000	0.000
529	B	71	LEU	0	-0.032	-0.022	16.850	0.604	0.604	0.000	0.000	0.000	0.000
530	B	72	VAL	0	0.000	0.021	18.681	-1.318	-1.318	0.000	0.000	0.000	0.000
531	B	73	TYR	0	-0.030	-0.038	20.260	-0.479	-0.479	0.000	0.000	0.000	0.000
532	B	74	GLU	-1	-0.883	-0.956	23.383	41.337	41.337	0.000	0.000	0.000	0.000
533	B	75	VAL	0	-0.051	-0.029	21.938	2.552	2.552	0.000	0.000	0.000	0.000
534	B	76	ASP	-1	-0.811	-0.899	24.636	40.237	40.237	0.000	0.000	0.000	0.000
535	B	77	GLU	-1	-0.931	-0.960	24.337	49.850	49.850	0.000	0.000	0.000	0.000
536	B	78	ALA	0	-0.041	-0.018	25.684	0.516	0.516	0.000	0.000	0.000	0.000
537	B	79	ASN	0	-0.071	-0.046	27.534	-1.167	-1.167	0.000	0.000	0.000	0.000
538	B	80	SER	0	-0.071	-0.029	22.384	1.223	1.223	0.000	0.000	0.000	0.000
539	B	81	LEU	0	0.000	0.017	22.160	2.425	2.425	0.000	0.000	0.000	0.000
540	B	82	MET	0	-0.021	-0.010	15.680	0.498	0.498	0.000	0.000	0.000	0.000
541	B	83	LYS	1	0.849	0.937	20.371	-43.296	-43.296	0.000	0.000	0.000	0.000
542	B	84	ILE	0	0.000	-0.007	15.426	0.473	0.473	0.000	0.000	0.000	0.000
543	B	85	ALA	0	-0.012	-0.006	19.488	-1.465	-1.465	0.000	0.000	0.000	0.000
544	B	86	TYR	0	0.015	-0.028	13.625	2.700	2.700	0.000	0.000	0.000	0.000
545	B	87	PRO	0	0.016	0.029	17.704	-2.708	-2.708	0.000	0.000	0.000	0.000
546	B	88	ILE	0	0.028	0.003	18.623	2.383	2.383	0.000	0.000	0.000	0.000
547	B	89	GLU	-1	-0.920	-0.965	19.424	52.725	52.725	0.000	0.000	0.000	0.000
548	B	90	LEU	0	-0.037	-0.013	13.783	1.694	1.694	0.000	0.000	0.000	0.000
549	B	91	PHE	0	-0.022	0.007	14.704	3.283	3.283	0.000	0.000	0.000	0.000
550	B	92	ASP	-1	-0.745	-0.884	14.276	63.436	63.436	0.000	0.000	0.000	0.000
551	B	93	ARG	1	0.823	0.901	16.320	-55.649	-55.649	0.000	0.000	0.000	0.000
552	B	94	ASN	0	-0.017	-0.003	19.328	3.394	3.394	0.000	0.000	0.000	0.000
553	B	95	VAL	0	-0.051	-0.048	19.886	-1.529	-1.529	0.000	0.000	0.000	0.000
554	B	96	ILE	0	-0.063	-0.022	22.494	-1.927	-1.927	0.000	0.000	0.000	0.000
555	B	97	ASP	-1	-0.771	-0.886	25.002	42.833	42.833	0.000	0.000	0.000	0.000
556	B	98	GLY	0	-0.022	-0.005	24.167	-1.057	-1.057	0.000	0.000	0.000	0.000
557	B	99	ARG	1	0.828	0.921	24.508	-40.074	-40.074	0.000	0.000	0.000	0.000
558	B	100	ALA	0	-0.024	-0.015	20.986	1.924	1.924	0.000	0.000	0.000	0.000
559	B	101	MET	0	-0.025	0.017	16.333	0.338	0.338	0.000	0.000	0.000	0.000
560	B	102	ILE	0	-0.009	-0.019	17.564	1.998	1.998	0.000	0.000	0.000	0.000
561	B	103	ALA	0	0.033	0.013	14.037	2.893	2.893	0.000	0.000	0.000	0.000
562	B	104	SER	0	0.015	0.028	12.669	3.843	3.843	0.000	0.000	0.000	0.000
563	B	105	PHE	0	0.018	-0.005	12.947	3.713	3.713	0.000	0.000	0.000	0.000
564	B	106	LEU	0	-0.001	0.007	12.713	1.981	1.981	0.000	0.000	0.000	0.000
565	B	107	THR	0	0.005	0.007	7.730	2.176	2.176	0.000	0.000	0.000	0.000
566	B	108	LEU	0	-0.032	-0.011	8.490	8.101	8.101	0.000	0.000	0.000	0.000
567	B	109	THR	0	-0.046	-0.043	10.618	2.030	2.030	0.000	0.000	0.000	0.000
568	B	110	ILE	0	-0.055	0.000	11.455	-1.182	-1.182	0.000	0.000	0.000	0.000
569	B	111	GLY	0	0.097	0.051	7.522	0.478	0.478	0.000	0.000	0.000	0.000
572	B	114	GLN	0	0.007	-0.001	7.949	-9.235	-9.235	0.000	0.000	0.000	0.000
573	B	115	GLY	0	-0.003	-0.002	5.720	-5.161	-5.161	0.000	0.000	0.000	0.000
574	B	116	MET	0	-0.065	-0.005	6.216	9.181	9.181	0.000	0.000	0.000	0.000
575	B	117	GLY	0	0.058	0.036	8.427	-7.922	-7.922	0.000	0.000	0.000	0.000
576	B	118	ASP	-1	-0.833	-0.916	9.877	93.185	93.185	0.000	0.000	0.000	0.000
577	B	119	VAL	0	-0.010	-0.011	12.094	-7.369	-7.369	0.000	0.000	0.000	0.000
578	B	120	GLU	-1	-0.958	-0.969	12.726	62.519	62.519	0.000	0.000	0.000	0.000
579	B	121	TYR	0	-0.016	-0.027	14.415	-0.024	-0.024	0.000	0.000	0.000	0.000
580	B	122	ALA	0	0.028	0.006	13.824	-1.680	-1.680	0.000	0.000	0.000	0.000
581	B	123	LYS	1	0.830	0.948	14.973	-52.237	-52.237	0.000	0.000	0.000	0.000
582	B	124	MET	0	-0.010	0.003	15.655	-3.212	-3.212	0.000	0.000	0.000	0.000
583	B	125	TYR	0	-0.006	-0.028	18.391	-0.874	-0.874	0.000	0.000	0.000	0.000
584	B	126	ASP	-1	-0.748	-0.893	21.601	43.189	43.189	0.000	0.000	0.000	0.000
585	B	127	PHE	0	-0.011	-0.017	20.198	2.524	2.524	0.000	0.000	0.000	0.000
586	B	128	TYR	0	0.014	0.017	22.216	-2.408	-2.408	0.000	0.000	0.000	0.000
587	B	129	VAL	0	0.008	0.000	22.418	2.119	2.119	0.000	0.000	0.000	0.000
588	B	130	PRO	0	0.028	0.031	24.212	-1.933	-1.933	0.000	0.000	0.000	0.000
589	B	131	PRO	0	0.098	0.025	27.127	0.665	0.665	0.000	0.000	0.000	0.000
590	B	132	ALA	0	-0.049	-0.031	27.147	-0.111	-0.111	0.000	0.000	0.000	0.000
591	B	133	TYR	0	0.010	-0.003	18.728	0.513	0.513	0.000	0.000	0.000	0.000
592	B	134	LEU	0	0.042	0.030	24.962	0.628	0.628	0.000	0.000	0.000	0.000
593	B	135	LYS	1	0.937	0.968	26.926	-39.517	-39.517	0.000	0.000	0.000	0.000
594	B	136	LEU	0	-0.096	-0.042	24.123	-0.856	-0.856	0.000	0.000	0.000	0.000
595	B	137	PHE	0	0.026	0.017	20.596	1.320	1.320	0.000	0.000	0.000	0.000
596	B	138	ASP	-1	-0.846	-0.908	25.805	41.568	41.568	0.000	0.000	0.000	0.000
597	B	139	GLY	0	0.025	0.025	27.631	-1.517	-1.517	0.000	0.000	0.000	0.000
598	B	140	PRO	0	-0.020	-0.007	29.552	-0.083	-0.083	0.000	0.000	0.000	0.000
599	B	141	SER	0	-0.052	-0.054	31.832	-0.344	-0.344	0.000	0.000	0.000	0.000
600	B	142	THR	0	-0.039	-0.003	34.560	-1.335	-1.335	0.000	0.000	0.000	0.000
601	B	143	THR	0	-0.004	-0.008	35.283	0.503	0.503	0.000	0.000	0.000	0.000
602	B	144	ILE	0	0.076	0.027	37.572	-0.394	-0.394	0.000	0.000	0.000	0.000
603	B	145	LYS	1	0.923	0.976	39.821	-28.397	-28.397	0.000	0.000	0.000	0.000
604	B	146	ASP	-1	-0.824	-0.919	39.994	28.771	28.771	0.000	0.000	0.000	0.000
605	B	147	LEU	0	0.037	0.027	38.470	-0.410	-0.410	0.000	0.000	0.000	0.000
606	B	148	TRP	0	-0.025	-0.006	42.758	-0.549	-0.549	0.000	0.000	0.000	0.000
607	B	149	ARG	1	0.853	0.915	43.714	-27.466	-27.466	0.000	0.000	0.000	0.000
608	B	150	VAL	0	-0.014	0.013	44.420	-0.602	-0.602	0.000	0.000	0.000	0.000
609	B	151	LEU	0	-0.044	-0.023	44.898	-0.430	-0.430	0.000	0.000	0.000	0.000
610	B	152	GLY	0	0.002	0.020	48.513	-0.488	-0.488	0.000	0.000	0.000	0.000
611	B	153	ARG	1	0.778	0.897	46.828	-25.746	-25.746	0.000	0.000	0.000	0.000
612	B	154	PRO	0	0.005	-0.004	49.897	0.092	0.092	0.000	0.000	0.000	0.000
613	B	155	VAL	0	0.021	0.001	46.506	0.482	0.482	0.000	0.000	0.000	0.000
614	B	156	ILE	0	-0.001	-0.016	45.555	0.712	0.712	0.000	0.000	0.000	0.000
615	B	157	ASN	0	0.005	0.003	45.683	0.006	0.006	0.000	0.000	0.000	0.000
616	B	158	GLY	0	0.049	0.021	46.034	-0.510	-0.510	0.000	0.000	0.000	0.000
617	B	159	GLY	0	-0.015	-0.005	46.144	-0.453	-0.453	0.000	0.000	0.000	0.000
618	B	160	PHE	0	0.050	0.021	41.818	0.512	0.512	0.000	0.000	0.000	0.000
619	B	161	ILE	0	-0.039	-0.014	41.358	-0.628	-0.628	0.000	0.000	0.000	0.000
620	B	162	VAL	0	-0.007	0.005	42.381	0.559	0.559	0.000	0.000	0.000	0.000
621	B	163	GLY	0	0.072	0.026	40.639	-0.132	-0.132	0.000	0.000	0.000	0.000
622	B	164	THR	0	-0.062	-0.055	39.999	-0.029	-0.029	0.000	0.000	0.000	0.000
623	B	165	ILE	0	0.019	0.010	34.689	0.264	0.264	0.000	0.000	0.000	0.000
624	B	166	ILE	0	0.009	0.002	37.860	-0.629	-0.629	0.000	0.000	0.000	0.000
625	B	167	LYS	1	0.866	0.918	34.405	-32.218	-32.218	0.000	0.000	0.000	0.000
626	B	168	PRO	0	-0.004	0.016	38.489	-0.808	-0.808	0.000	0.000	0.000	0.000
627	B	169	LYS	1	0.786	0.884	30.343	-36.302	-36.302	0.000	0.000	0.000	0.000
628	B	170	LEU	0	-0.035	-0.023	30.866	0.309	0.309	0.000	0.000	0.000	0.000
629	B	171	GLY	0	0.062	0.020	35.418	-0.275	-0.275	0.000	0.000	0.000	0.000
630	B	172	LEU	0	-0.034	0.005	38.509	-0.708	-0.708	0.000	0.000	0.000	0.000
631	B	173	ARG	1	0.945	0.981	40.070	-25.977	-25.977	0.000	0.000	0.000	0.000
632	B	174	PRO	0	0.044	0.014	41.728	-0.271	-0.271	0.000	0.000	0.000	0.000
633	B	175	GLN	0	0.014	0.007	43.170	0.021	0.021	0.000	0.000	0.000	0.000
634	B	176	PRO	0	-0.014	-0.024	44.623	-0.250	-0.250	0.000	0.000	0.000	0.000
635	B	177	PHE	0	0.034	0.030	37.859	-0.138	-0.138	0.000	0.000	0.000	0.000
636	B	178	ALA	0	0.029	0.009	43.181	-0.018	-0.018	0.000	0.000	0.000	0.000
637	B	179	ASN	0	-0.031	-0.027	45.401	-0.417	-0.417	0.000	0.000	0.000	0.000
638	B	180	ALA	0	0.058	0.043	44.066	-0.333	-0.333	0.000	0.000	0.000	0.000
639	B	181	CYS	0	-0.042	-0.011	42.824	0.191	0.191	0.000	0.000	0.000	0.000
640	B	182	TYR	0	-0.035	-0.016	45.156	-0.371	-0.371	0.000	0.000	0.000	0.000
641	B	183	ASP	-1	-0.894	-0.951	48.573	23.385	23.385	0.000	0.000	0.000	0.000
642	B	184	PHE	0	-0.023	-0.007	44.100	-0.327	-0.327	0.000	0.000	0.000	0.000
643	B	185	TRP	0	0.051	0.013	43.058	-0.338	-0.338	0.000	0.000	0.000	0.000
644	B	186	LEU	0	-0.045	-0.009	48.285	-0.387	-0.387	0.000	0.000	0.000	0.000
645	B	187	GLY	0	-0.077	-0.039	50.169	-0.473	-0.473	0.000	0.000	0.000	0.000
646	B	188	GLY	0	-0.026	-0.005	46.758	0.016	0.016	0.000	0.000	0.000	0.000
647	B	189	ASP	-1	-0.779	-0.868	44.772	25.161	25.161	0.000	0.000	0.000	0.000
648	B	190	PHE	0	-0.009	-0.012	36.318	0.024	0.024	0.000	0.000	0.000	0.000
649	B	191	ILE	0	0.001	0.008	39.632	-0.142	-0.142	0.000	0.000	0.000	0.000
650	B	192	KCX	-1	-0.524	-0.829	32.148	35.897	35.897	0.000	0.000	0.000	0.000
651	B	193	ASN	0	0.048	0.014	33.499	-0.319	-0.319	0.000	0.000	0.000	0.000
652	B	194	ASP	0	0.205	0.053	33.243	0.492	0.492	0.000	0.000	0.000	0.000
653	B	195	GLU	0	0.122	-0.053	27.662	-0.265	-0.265	0.000	0.000	0.000	0.000
654	B	501	merge:B:AS	-1	-1.691	-0.999	27.195	36.131	36.131	0.000	0.000	0.000	0.000
655	B	196	PRO	0	-0.055	0.008	28.086	0.585	0.585	0.000	0.000	0.000	0.000
656	B	197	GLN	0	-0.069	-0.028	29.196	-0.267	-0.267	0.000	0.000	0.000	0.000
657	B	198	GLY	0	0.036	0.020	31.554	0.581	0.581	0.000	0.000	0.000	0.000
658	B	199	ASN	0	-0.045	-0.016	31.922	-2.220	-2.220	0.000	0.000	0.000	0.000
659	B	200	GLN	0	0.022	0.021	30.693	-0.658	-0.658	0.000	0.000	0.000	0.000
660	B	201	VAL	0	0.002	-0.005	34.082	-0.783	-0.783	0.000	0.000	0.000	0.000
661	B	202	PHE	0	-0.020	-0.007	35.207	-0.927	-0.927	0.000	0.000	0.000	0.000
662	B	203	ALA	0	-0.041	-0.043	37.378	-0.954	-0.954	0.000	0.000	0.000	0.000
663	B	204	PRO	0	0.023	0.036	37.268	0.614	0.614	0.000	0.000	0.000	0.000
664	B	205	PHE	0	0.088	0.036	34.646	-0.742	-0.742	0.000	0.000	0.000	0.000
665	B	206	LYS	1	0.898	0.954	37.021	-30.690	-30.690	0.000	0.000	0.000	0.000
666	B	207	ASP	-1	-0.897	-0.954	39.991	26.781	26.781	0.000	0.000	0.000	0.000
667	B	208	THR	0	-0.017	-0.012	38.946	-0.794	-0.794	0.000	0.000	0.000	0.000
668	B	209	VAL	0	0.013	0.012	38.187	-0.488	-0.488	0.000	0.000	0.000	0.000
669	B	210	ARG	1	0.927	0.964	40.973	-27.351	-27.351	0.000	0.000	0.000	0.000
670	B	211	ALA	0	0.009	0.015	44.284	-0.570	-0.570	0.000	0.000	0.000	0.000
671	B	212	VAL	0	0.011	-0.001	41.076	-0.547	-0.547	0.000	0.000	0.000	0.000
672	B	213	ALA	0	-0.001	0.005	44.321	-0.367	-0.367	0.000	0.000	0.000	0.000
673	B	214	ASP	-1	-0.921	-0.957	45.868	22.966	22.966	0.000	0.000	0.000	0.000
674	B	215	ALA	0	-0.010	-0.008	46.620	-0.483	-0.483	0.000	0.000	0.000	0.000
675	B	216	MET	0	-0.011	0.009	43.569	-0.350	-0.350	0.000	0.000	0.000	0.000
676	B	217	ARG	1	0.949	0.974	48.046	-24.693	-24.693	0.000	0.000	0.000	0.000
677	B	218	ARG	1	0.929	0.972	50.262	-23.646	-23.646	0.000	0.000	0.000	0.000
678	B	219	ALA	0	0.006	-0.009	49.958	-0.428	-0.428	0.000	0.000	0.000	0.000
679	B	220	GLN	0	-0.014	-0.013	48.785	0.152	0.152	0.000	0.000	0.000	0.000
680	B	221	ASP	-1	-0.902	-0.936	52.702	21.597	21.597	0.000	0.000	0.000	0.000
681	B	222	LYS	1	0.823	0.927	55.182	-20.924	-20.924	0.000	0.000	0.000	0.000
682	B	223	THR	0	-0.054	-0.049	53.146	-0.257	-0.257	0.000	0.000	0.000	0.000
683	B	224	GLY	0	0.000	0.015	55.847	-0.218	-0.218	0.000	0.000	0.000	0.000
684	B	225	GLU	-1	-0.955	-0.968	51.823	22.906	22.906	0.000	0.000	0.000	0.000
685	B	226	ALA	0	-0.003	-0.006	48.514	0.149	0.149	0.000	0.000	0.000	0.000
686	B	227	LYS	1	0.800	0.898	46.539	-24.023	-24.023	0.000	0.000	0.000	0.000
687	B	228	LEU	0	0.003	-0.011	41.582	0.191	0.191	0.000	0.000	0.000	0.000
688	B	229	PHE	0	-0.015	-0.025	37.271	-0.259	-0.259	0.000	0.000	0.000	0.000
689	B	230	SER	0	-0.048	-0.018	34.143	0.357	0.357	0.000	0.000	0.000	0.000
690	B	231	PHE	0	0.049	0.012	35.014	0.080	0.080	0.000	0.000	0.000	0.000
691	B	232	ASN	0	0.029	0.019	28.641	1.642	1.642	0.000	0.000	0.000	0.000
692	B	233	ILE	0	-0.067	-0.032	29.030	-0.609	-0.609	0.000	0.000	0.000	0.000
693	B	234	THR	0	0.021	0.005	23.966	1.254	1.254	0.000	0.000	0.000	0.000
694	B	235	ALA	0	-0.004	-0.020	24.842	-0.877	-0.877	0.000	0.000	0.000	0.000
695	B	236	ASP	-1	-0.808	-0.899	20.374	53.443	53.443	0.000	0.000	0.000	0.000
696	B	237	ASP	-1	-0.816	-0.917	21.824	44.923	44.923	0.000	0.000	0.000	0.000
697	B	238	HIS	0	0.049	-0.001	23.979	-2.232	-2.232	0.000	0.000	0.000	0.000
698	B	239	TYR	0	0.073	0.022	25.484	-0.584	-0.584	0.000	0.000	0.000	0.000
699	B	240	GLU	-1	-0.733	-0.835	27.397	35.525	35.525	0.000	0.000	0.000	0.000
700	B	241	MET	0	-0.045	-0.013	25.516	-0.569	-0.569	0.000	0.000	0.000	0.000
701	B	242	LEU	0	-0.028	-0.008	29.072	-1.060	-1.060	0.000	0.000	0.000	0.000
702	B	243	ALA	0	0.030	0.024	31.722	-1.204	-1.204	0.000	0.000	0.000	0.000
703	B	244	ARG	1	0.740	0.843	29.952	-38.687	-38.687	0.000	0.000	0.000	0.000
704	B	245	GLY	0	0.041	0.016	33.178	-0.927	-0.927	0.000	0.000	0.000	0.000
705	B	246	GLU	-1	-0.911	-0.972	34.689	32.278	32.278	0.000	0.000	0.000	0.000
706	B	247	PHE	0	0.002	0.003	37.171	-1.026	-1.026	0.000	0.000	0.000	0.000
707	B	248	ILE	0	-0.014	0.017	35.462	-0.958	-0.958	0.000	0.000	0.000	0.000
708	B	249	LEU	0	-0.011	-0.005	37.680	-0.781	-0.781	0.000	0.000	0.000	0.000
709	B	250	GLU	-1	-0.960	-0.967	40.875	26.760	26.760	0.000	0.000	0.000	0.000
710	B	251	THR	0	-0.085	-0.071	42.108	-0.841	-0.841	0.000	0.000	0.000	0.000
711	B	252	PHE	0	-0.068	-0.054	41.604	-0.649	-0.649	0.000	0.000	0.000	0.000
712	B	253	ALA	0	0.024	0.031	45.001	-0.570	-0.570	0.000	0.000	0.000	0.000
713	B	254	ASP	-1	-0.936	-0.963	46.570	24.288	24.288	0.000	0.000	0.000	0.000
714	B	255	ASN	0	-0.006	-0.010	46.369	-0.171	-0.171	0.000	0.000	0.000	0.000
715	B	256	ALA	0	0.027	0.012	42.656	0.572	0.572	0.000	0.000	0.000	0.000
716	B	257	ASP	-1	-0.872	-0.939	41.803	27.086	27.086	0.000	0.000	0.000	0.000
717	B	258	HIS	1	0.787	0.892	42.896	-25.762	-25.762	0.000	0.000	0.000	0.000
718	B	259	ILE	0	-0.006	0.002	37.538	0.215	0.215	0.000	0.000	0.000	0.000
719	B	260	ALA	0	-0.038	-0.015	35.432	0.227	0.227	0.000	0.000	0.000	0.000
720	B	261	PHE	0	-0.010	-0.014	31.758	-0.187	-0.187	0.000	0.000	0.000	0.000
721	B	262	LEU	0	0.010	0.008	28.671	0.616	0.616	0.000	0.000	0.000	0.000
722	B	263	VAL	0	0.004	-0.014	24.351	0.277	0.277	0.000	0.000	0.000	0.000
723	B	264	ASP	-1	-0.819	-0.935	23.307	43.134	43.134	0.000	0.000	0.000	0.000
724	B	265	GLY	0	-0.015	-0.014	22.122	1.869	1.869	0.000	0.000	0.000	0.000
725	B	266	TYR	0	-0.060	-0.015	15.717	2.210	2.210	0.000	0.000	0.000	0.000
726	B	267	VAL	0	-0.012	-0.006	17.447	3.098	3.098	0.000	0.000	0.000	0.000
727	B	268	ALA	0	0.011	0.004	17.588	2.203	2.203	0.000	0.000	0.000	0.000
728	B	269	GLY	0	0.024	0.014	17.253	2.016	2.016	0.000	0.000	0.000	0.000
729	B	270	PRO	0	0.021	-0.004	16.600	-3.192	-3.192	0.000	0.000	0.000	0.000
730	B	271	ALA	0	0.015	0.019	18.394	-2.442	-2.442	0.000	0.000	0.000	0.000
731	B	272	ALA	0	0.026	0.011	20.102	-2.378	-2.378	0.000	0.000	0.000	0.000
732	B	273	VAL	0	-0.005	0.002	22.326	-2.351	-2.351	0.000	0.000	0.000	0.000
733	B	274	THR	0	0.027	0.008	22.198	-2.292	-2.292	0.000	0.000	0.000	0.000
734	B	275	THR	0	-0.014	0.005	24.023	-1.582	-1.582	0.000	0.000	0.000	0.000
735	B	276	ALA	0	0.017	0.012	26.321	-1.539	-1.539	0.000	0.000	0.000	0.000
736	B	277	ARG	1	0.817	0.926	27.412	-39.908	-39.908	0.000	0.000	0.000	0.000
737	B	278	ARG	1	0.750	0.845	25.392	-45.093	-45.093	0.000	0.000	0.000	0.000
738	B	279	ALA	0	-0.019	0.008	29.621	-0.971	-0.971	0.000	0.000	0.000	0.000
739	B	280	PHE	0	-0.014	-0.016	31.595	-1.311	-1.311	0.000	0.000	0.000	0.000
740	B	281	PRO	0	0.047	0.042	33.193	-0.230	-0.230	0.000	0.000	0.000	0.000
741	B	282	LYS	1	0.915	0.977	34.381	-29.334	-29.334	0.000	0.000	0.000	0.000
742	B	283	GLN	0	-0.021	-0.006	35.433	-1.227	-1.227	0.000	0.000	0.000	0.000
743	B	284	TYR	0	0.002	-0.006	34.288	1.046	1.046	0.000	0.000	0.000	0.000
744	B	285	LEU	0	0.011	0.009	27.691	0.007	0.007	0.000	0.000	0.000	0.000
745	B	286	HIS	0	-0.009	-0.024	30.622	-0.393	-0.393	0.000	0.000	0.000	0.000
746	B	287	TYR	0	0.019	0.004	21.217	0.677	0.677	0.000	0.000	0.000	0.000
747	B	288	HIS	0	0.239	0.113	26.300	-1.334	-1.334	0.000	0.000	0.000	0.000
748	B	289	ARG	1	0.794	0.868	23.521	-40.181	-40.181	0.000	0.000	0.000	0.000
749	B	290	ALA	0	0.041	0.027	23.050	1.285	1.285	0.000	0.000	0.000	0.000
750	B	291	GLY	0	0.042	0.018	20.310	1.495	1.495	0.000	0.000	0.000	0.000
751	B	292	HIS	0	0.015	0.006	19.460	3.430	3.430	0.000	0.000	0.000	0.000
752	B	293	GLY	0	0.009	-0.004	19.980	1.554	1.554	0.000	0.000	0.000	0.000
753	B	294	ALA	0	0.007	0.012	16.865	-0.047	-0.047	0.000	0.000	0.000	0.000
754	B	295	VAL	0	-0.038	-0.020	14.700	2.034	2.034	0.000	0.000	0.000	0.000
755	B	296	THR	0	0.045	0.013	17.787	-0.796	-0.796	0.000	0.000	0.000	0.000
756	B	297	SER	0	-0.069	-0.026	21.106	-1.453	-1.453	0.000	0.000	0.000	0.000
757	B	298	PRO	0	0.033	-0.001	22.292	2.211	2.211	0.000	0.000	0.000	0.000
758	B	299	GLN	0	0.006	0.013	21.917	1.798	1.798	0.000	0.000	0.000	0.000
759	B	300	SER	0	-0.034	0.001	17.961	2.207	2.207	0.000	0.000	0.000	0.000
760	B	301	LYS	1	0.956	0.980	18.758	-53.078	-53.078	0.000	0.000	0.000	0.000
761	B	302	ARG	1	0.812	0.902	10.454	-83.706	-83.706	0.000	0.000	0.000	0.000
762	B	303	GLY	0	0.050	0.020	14.198	-3.227	-3.227	0.000	0.000	0.000	0.000
763	B	304	TYR	0	0.017	-0.001	15.145	-1.139	-1.139	0.000	0.000	0.000	0.000
764	B	305	THR	0	0.028	0.019	18.216	-0.860	-0.860	0.000	0.000	0.000	0.000
765	B	306	ALA	0	0.088	0.041	21.894	0.745	0.745	0.000	0.000	0.000	0.000
766	B	307	PHE	0	0.018	0.008	24.286	-0.584	-0.584	0.000	0.000	0.000	0.000
767	B	308	VAL	0	0.007	0.006	18.959	-0.549	-0.549	0.000	0.000	0.000	0.000
768	B	309	LEU	0	-0.013	-0.011	20.118	0.259	0.259	0.000	0.000	0.000	0.000
769	B	310	SER	0	0.012	-0.008	22.015	-0.858	-0.858	0.000	0.000	0.000	0.000
770	B	311	LYS	1	0.832	0.916	24.049	-45.524	-45.524	0.000	0.000	0.000	0.000
771	B	312	MET	0	-0.035	-0.016	17.938	0.504	0.504	0.000	0.000	0.000	0.000
772	B	313	ALA	0	0.019	0.021	22.567	-0.254	-0.254	0.000	0.000	0.000	0.000
773	B	314	ARG	1	0.813	0.924	24.686	-37.504	-37.504	0.000	0.000	0.000	0.000
774	B	315	LEU	0	-0.015	-0.021	22.692	-0.946	-0.946	0.000	0.000	0.000	0.000
775	B	316	GLN	0	-0.008	-0.020	20.376	-1.113	-1.113	0.000	0.000	0.000	0.000
776	B	317	GLY	0	0.023	0.020	24.556	-0.443	-0.443	0.000	0.000	0.000	0.000
777	B	318	ALA	0	-0.015	-0.008	27.313	-1.093	-1.093	0.000	0.000	0.000	0.000
778	B	319	SER	0	0.020	0.022	29.047	-0.465	-0.465	0.000	0.000	0.000	0.000
779	B	320	GLY	0	0.005	-0.006	31.653	-1.103	-1.103	0.000	0.000	0.000	0.000
780	B	321	ILE	0	-0.013	-0.006	25.261	1.057	1.057	0.000	0.000	0.000	0.000
781	B	322	HIS	0	-0.002	0.024	28.446	-1.199	-1.199	0.000	0.000	0.000	0.000
782	B	323	THR	0	0.004	-0.005	28.378	1.100	1.100	0.000	0.000	0.000	0.000
783	B	324	GLY	0	0.025	0.022	30.366	0.377	0.377	0.000	0.000	0.000	0.000
784	B	325	THR	0	-0.019	-0.010	31.514	-0.821	-0.821	0.000	0.000	0.000	0.000
785	B	326	MET	0	-0.032	-0.009	33.294	-1.290	-1.290	0.000	0.000	0.000	0.000
786	B	327	GLY	0	0.041	0.033	34.118	-0.619	-0.619	0.000	0.000	0.000	0.000
787	B	328	PHE	0	-0.035	-0.015	35.510	-0.730	-0.730	0.000	0.000	0.000	0.000
788	B	329	GLY	0	0.014	0.007	36.158	-0.917	-0.917	0.000	0.000	0.000	0.000
789	B	330	LYS	1	0.697	0.828	32.504	-34.242	-34.242	0.000	0.000	0.000	0.000
790	B	331	ALA	0	-0.010	-0.001	29.548	0.422	0.422	0.000	0.000	0.000	0.000
791	B	332	GLU	-1	-0.869	-0.915	26.207	42.326	42.326	0.000	0.000	0.000	0.000
792	B	333	GLY	0	-0.004	-0.001	29.300	0.828	0.828	0.000	0.000	0.000	0.000
793	B	334	GLU	-1	-0.962	-0.982	30.930	37.627	37.627	0.000	0.000	0.000	0.000
794	B	335	ALA	0	0.035	0.012	33.421	0.003	0.003	0.000	0.000	0.000	0.000
795	B	336	ALA	0	-0.009	-0.020	33.167	-0.454	-0.454	0.000	0.000	0.000	0.000
796	B	337	ASP	-1	-0.787	-0.896	30.527	39.138	39.138	0.000	0.000	0.000	0.000
797	B	338	ARG	1	0.878	0.932	32.437	-31.438	-31.438	0.000	0.000	0.000	0.000
798	B	339	ALA	0	-0.015	-0.009	32.057	-0.240	-0.240	0.000	0.000	0.000	0.000
799	B	340	ILE	0	-0.024	-0.011	27.992	0.608	0.608	0.000	0.000	0.000	0.000
800	B	341	ALA	0	-0.007	-0.005	30.772	0.265	0.265	0.000	0.000	0.000	0.000
801	B	342	TYR	0	0.001	-0.033	33.608	-0.093	-0.093	0.000	0.000	0.000	0.000
802	B	343	MET	0	-0.022	0.020	28.451	-0.078	-0.078	0.000	0.000	0.000	0.000
803	B	344	ILE	0	-0.035	-0.024	28.897	0.570	0.570	0.000	0.000	0.000	0.000
804	B	345	THR	0	-0.015	-0.009	31.523	-0.049	-0.049	0.000	0.000	0.000	0.000
805	B	346	GLU	-1	-0.903	-0.939	35.138	29.992	29.992	0.000	0.000	0.000	0.000
806	B	347	ASP	-1	-0.871	-0.930	34.725	33.748	33.748	0.000	0.000	0.000	0.000
807	B	348	ALA	0	0.007	0.000	34.805	0.728	0.728	0.000	0.000	0.000	0.000
808	B	349	ALA	0	-0.013	-0.001	32.901	-0.681	-0.681	0.000	0.000	0.000	0.000
809	B	350	ASP	-1	-0.863	-0.917	32.407	35.315	35.315	0.000	0.000	0.000	0.000
810	B	351	GLY	0	0.004	-0.010	28.560	-0.070	-0.070	0.000	0.000	0.000	0.000
811	B	352	PRO	0	-0.082	-0.041	26.488	-0.852	-0.852	0.000	0.000	0.000	0.000
812	B	353	TYR	0	-0.040	-0.023	25.178	-0.175	-0.175	0.000	0.000	0.000	0.000
813	B	354	PHE	0	-0.029	0.003	23.151	-0.456	-0.456	0.000	0.000	0.000	0.000
814	B	355	HIS	1	0.845	0.928	28.599	-35.198	-35.198	0.000	0.000	0.000	0.000
815	B	356	GLN	0	-0.024	-0.026	27.315	2.397	2.397	0.000	0.000	0.000	0.000
816	B	357	GLU	-1	-0.843	-0.924	30.785	32.277	32.277	0.000	0.000	0.000	0.000
817	B	358	TRP	0	0.016	-0.025	27.106	1.993	1.993	0.000	0.000	0.000	0.000
818	B	359	LEU	0	-0.057	-0.028	31.855	0.287	0.287	0.000	0.000	0.000	0.000
819	B	360	GLY	0	0.004	0.002	34.970	-0.153	-0.153	0.000	0.000	0.000	0.000
820	B	361	MET	0	-0.062	-0.006	28.278	0.075	0.075	0.000	0.000	0.000	0.000
821	B	362	ASN	0	-0.022	-0.015	33.709	-1.000	-1.000	0.000	0.000	0.000	0.000
822	B	363	PRO	0	-0.009	0.005	33.030	1.068	1.068	0.000	0.000	0.000	0.000
823	B	364	THR	0	-0.044	-0.020	29.750	0.177	0.177	0.000	0.000	0.000	0.000
824	B	365	THR	0	-0.040	-0.037	32.692	-0.661	-0.661	0.000	0.000	0.000	0.000
825	B	366	PRO	0	0.037	0.012	33.156	0.884	0.884	0.000	0.000	0.000	0.000
826	B	367	ILE	0	-0.036	-0.003	32.070	-1.165	-1.165	0.000	0.000	0.000	0.000
827	B	368	ILE	0	-0.017	-0.012	33.137	0.846	0.846	0.000	0.000	0.000	0.000
828	B	369	SER	0	0.040	-0.007	33.008	-1.155	-1.155	0.000	0.000	0.000	0.000
829	B	370	GLY	0	0.077	0.040	33.206	0.884	0.884	0.000	0.000	0.000	0.000
830	B	371	GLY	0	-0.032	-0.017	34.176	-0.166	-0.166	0.000	0.000	0.000	0.000
831	B	372	MET	0	-0.020	-0.001	37.243	-0.464	-0.464	0.000	0.000	0.000	0.000
832	B	373	ASN	0	0.041	-0.007	39.682	-0.429	-0.429	0.000	0.000	0.000	0.000
833	B	374	ALA	0	0.027	0.006	43.383	0.080	0.080	0.000	0.000	0.000	0.000
834	B	375	LEU	0	-0.003	-0.003	46.337	-0.164	-0.164	0.000	0.000	0.000	0.000
835	B	376	ARG	1	0.824	0.896	39.614	-29.283	-29.283	0.000	0.000	0.000	0.000
836	B	377	MET	0	-0.056	-0.005	42.991	0.372	0.372	0.000	0.000	0.000	0.000
837	B	378	PRO	0	0.018	0.009	44.193	0.270	0.270	0.000	0.000	0.000	0.000
838	B	379	GLY	0	0.043	0.031	44.495	0.021	0.021	0.000	0.000	0.000	0.000
839	B	380	PHE	0	-0.004	-0.003	36.664	0.350	0.350	0.000	0.000	0.000	0.000
840	B	381	PHE	0	0.007	-0.019	41.359	0.489	0.489	0.000	0.000	0.000	0.000
841	B	382	ASP	-1	-0.881	-0.918	43.549	25.785	25.785	0.000	0.000	0.000	0.000
842	B	383	ASN	0	-0.039	-0.004	37.617	-0.087	-0.087	0.000	0.000	0.000	0.000
843	B	384	LEU	0	-0.041	-0.005	37.543	0.574	0.574	0.000	0.000	0.000	0.000
844	B	385	GLY	0	0.044	0.033	40.512	0.215	0.215	0.000	0.000	0.000	0.000
845	B	386	HIS	0	-0.039	-0.029	38.915	-1.108	-1.108	0.000	0.000	0.000	0.000
846	B	387	SER	0	0.019	0.004	42.861	0.439	0.439	0.000	0.000	0.000	0.000
847	B	388	ASN	0	-0.041	-0.026	42.267	-0.573	-0.573	0.000	0.000	0.000	0.000
848	B	389	LEU	0	-0.019	-0.010	38.330	0.688	0.688	0.000	0.000	0.000	0.000
849	B	390	ILE	0	0.015	0.015	36.847	-0.771	-0.771	0.000	0.000	0.000	0.000
850	B	391	MET	0	-0.010	0.008	37.564	0.562	0.562	0.000	0.000	0.000	0.000
851	B	392	THR	0	-0.026	-0.009	36.041	-0.516	-0.516	0.000	0.000	0.000	0.000
852	B	393	ALA	0	0.009	0.002	37.664	0.516	0.516	0.000	0.000	0.000	0.000
853	B	394	GLY	0	0.010	0.018	38.242	-0.679	-0.679	0.000	0.000	0.000	0.000
854	B	395	GLY	0	0.027	-0.018	38.868	-0.794	-0.794	0.000	0.000	0.000	0.000
855	B	396	GLY	0	-0.034	-0.016	40.780	-0.712	-0.712	0.000	0.000	0.000	0.000
856	B	397	ALA	0	-0.035	-0.008	42.712	-0.733	-0.733	0.000	0.000	0.000	0.000
857	B	398	PHE	0	0.020	-0.015	41.693	-0.843	-0.843	0.000	0.000	0.000	0.000
858	B	399	GLY	0	0.043	0.022	44.451	-0.235	-0.235	0.000	0.000	0.000	0.000
859	B	400	HIS	0	-0.087	-0.030	45.457	-0.391	-0.391	0.000	0.000	0.000	0.000
860	B	401	VAL	0	0.009	-0.007	48.660	-0.115	-0.115	0.000	0.000	0.000	0.000
861	B	402	ASP	-1	-0.843	-0.881	51.734	21.451	21.451	0.000	0.000	0.000	0.000
862	B	403	GLY	0	0.008	0.010	50.103	-0.220	-0.220	0.000	0.000	0.000	0.000
863	B	404	GLY	0	0.056	0.018	47.377	0.136	0.136	0.000	0.000	0.000	0.000
864	B	405	ALA	0	0.018	0.014	48.115	0.182	0.182	0.000	0.000	0.000	0.000
865	B	406	ALA	0	-0.008	-0.008	50.724	-0.041	-0.041	0.000	0.000	0.000	0.000
866	B	407	GLY	0	0.081	0.035	47.695	0.011	0.011	0.000	0.000	0.000	0.000
867	B	408	ALA	0	0.000	0.029	46.922	0.263	0.263	0.000	0.000	0.000	0.000
868	B	409	LYS	1	0.949	0.968	47.955	-21.883	-21.883	0.000	0.000	0.000	0.000
869	B	410	SER	0	-0.076	-0.047	48.424	-0.033	-0.033	0.000	0.000	0.000	0.000
870	B	411	LEU	0	0.038	0.002	43.448	0.023	0.023	0.000	0.000	0.000	0.000
871	B	412	ARG	1	0.788	0.865	47.192	-24.516	-24.516	0.000	0.000	0.000	0.000
872	B	413	GLN	0	-0.017	-0.026	49.398	-0.048	-0.048	0.000	0.000	0.000	0.000
873	B	414	ALA	0	0.036	0.022	47.676	-0.234	-0.234	0.000	0.000	0.000	0.000
874	B	415	GLU	-1	-0.868	-0.928	46.348	25.020	25.020	0.000	0.000	0.000	0.000
875	B	416	GLN	0	-0.018	-0.019	48.511	-0.354	-0.354	0.000	0.000	0.000	0.000
876	B	417	CYS	0	-0.025	-0.003	51.705	-0.408	-0.408	0.000	0.000	0.000	0.000
877	B	418	TRP	0	-0.032	-0.005	46.674	-0.225	-0.225	0.000	0.000	0.000	0.000
878	B	419	LYS	1	0.943	0.976	50.446	-24.086	-24.086	0.000	0.000	0.000	0.000
879	B	420	GLN	0	-0.081	-0.048	51.684	-0.403	-0.403	0.000	0.000	0.000	0.000
880	B	421	GLY	0	-0.004	0.020	53.332	-0.348	-0.348	0.000	0.000	0.000	0.000
881	B	422	ALA	0	-0.044	-0.017	54.340	-0.327	-0.327	0.000	0.000	0.000	0.000
882	B	423	ASP	-1	-0.826	-0.937	54.219	22.407	22.407	0.000	0.000	0.000	0.000
883	B	424	PRO	0	0.039	0.015	51.211	-0.333	-0.333	0.000	0.000	0.000	0.000
884	B	425	VAL	0	0.018	0.001	53.775	-0.166	-0.166	0.000	0.000	0.000	0.000
885	B	426	GLU	-1	-0.921	-0.971	56.220	19.752	19.752	0.000	0.000	0.000	0.000
886	B	427	PHE	0	0.025	0.021	54.179	-0.297	-0.297	0.000	0.000	0.000	0.000
887	B	428	ALA	0	-0.015	-0.012	55.523	-0.130	-0.130	0.000	0.000	0.000	0.000
888	B	429	LYS	1	0.799	0.910	57.127	-20.292	-20.292	0.000	0.000	0.000	0.000
889	B	430	ASP	-1	-0.911	-0.933	60.076	19.296	19.296	0.000	0.000	0.000	0.000
890	B	431	HIS	1	0.786	0.889	56.170	-21.183	-21.183	0.000	0.000	0.000	0.000
891	B	432	ARG	1	1.038	1.026	56.717	-20.165	-20.165	0.000	0.000	0.000	0.000
892	B	433	GLU	-1	-0.843	-0.925	52.956	21.709	21.709	0.000	0.000	0.000	0.000
893	B	434	PHE	0	0.015	0.003	49.563	0.377	0.377	0.000	0.000	0.000	0.000
894	B	435	ALA	0	0.019	0.005	52.672	0.279	0.279	0.000	0.000	0.000	0.000
895	B	436	ARG	1	0.709	0.817	54.241	-21.500	-21.500	0.000	0.000	0.000	0.000
896	B	437	ALA	0	0.020	0.018	48.934	0.233	0.233	0.000	0.000	0.000	0.000
897	B	438	PHE	0	-0.022	-0.013	49.767	0.422	0.422	0.000	0.000	0.000	0.000
898	B	439	GLU	-1	-0.957	-0.994	51.582	21.397	21.397	0.000	0.000	0.000	0.000
899	B	440	SER	0	-0.033	-0.003	48.639	0.037	0.037	0.000	0.000	0.000	0.000
900	B	441	PHE	0	-0.018	0.001	44.542	0.406	0.406	0.000	0.000	0.000	0.000
901	B	442	PRO	0	0.029	0.020	47.835	0.036	0.036	0.000	0.000	0.000	0.000
902	B	443	GLN	0	0.053	0.019	46.014	0.030	0.030	0.000	0.000	0.000	0.000
903	B	444	ASP	-1	-0.798	-0.897	43.585	27.819	27.819	0.000	0.000	0.000	0.000
904	B	445	ALA	0	-0.013	-0.008	46.249	-0.032	-0.032	0.000	0.000	0.000	0.000
905	B	446	ASP	-1	-0.899	-0.938	49.832	23.048	23.048	0.000	0.000	0.000	0.000
906	B	447	LYS	1	0.899	0.953	41.904	-28.257	-28.257	0.000	0.000	0.000	0.000
907	B	448	LEU	0	-0.057	-0.022	44.691	0.039	0.039	0.000	0.000	0.000	0.000
908	B	449	TYR	0	-0.001	-0.019	48.369	-0.361	-0.361	0.000	0.000	0.000	0.000
909	B	450	PRO	0	0.015	0.022	52.156	-0.235	-0.235	0.000	0.000	0.000	0.000
910	B	451	ASN	0	-0.029	-0.024	54.113	-0.058	-0.058	0.000	0.000	0.000	0.000
911	B	452	TRP	0	0.002	-0.018	53.240	-0.593	-0.593	0.000	0.000	0.000	0.000
912	B	453	ARG	1	0.937	0.981	54.672	-21.958	-21.958	0.000	0.000	0.000	0.000
913	B	454	ALA	0	-0.036	-0.012	58.657	-0.287	-0.287	0.000	0.000	0.000	0.000
914	B	455	LYS	1	0.974	1.000	59.453	-20.286	-20.286	0.000	0.000	0.000	0.000
916	B	500	CAP	-4	-3.137	-3.538	27.940	141.729	141.729	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #915(A:500:CAP)