FMO DATABASE

FMODB ID: 6Y58Z

Calculation Name: 4YPJ-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4YPJ

Chain ID: A

ChEMBL ID:

UniProt ID: E5RWQ2

Base Structure: X-ray

Registration Date: 2023-09-23

Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptAll
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	810
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-22419938.298155
FMO2-HF: Nuclear repulsion	22104990.918322
FMO2-HF: Total energy	-314947.379833
FMO2-MP2: Total energy	-315883.602945

3D Structure

Snapshot

Ligand structure

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.
N/A	N/A	N/A	N/A	N/A	N/A

Interactive mode: IFIE and PIEDA for fragment #1(A:38:SER)

Summations of interaction energy for fragment #1(A:38:SER)

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.
-23.891	-26.706	22.941	-10.007	-10.118	0.003

Interaction energy analysis for fragmet #1(A:38:SER)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.021 / q_NPA : -0.018

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].
3	A	40	SER	0	-0.011	-0.007	3.796	-1.418	-0.222	-0.001	-0.509	-0.686	0.002
4	A	41	TYR	0	-0.069	-0.067	5.489	0.720	0.720	0.000	0.000	0.000	0.000
5	A	42	ASP	-1	-0.914	-0.957	8.136	-0.906	-0.906	0.000	0.000	0.000	0.000
6	A	43	GLY	0	0.017	0.020	11.302	0.105	0.105	0.000	0.000	0.000	0.000
7	A	44	GLU	-1	-0.884	-0.929	11.627	-0.617	-0.617	0.000	0.000	0.000	0.000
8	A	45	ARG	1	0.834	0.878	14.380	-0.002	-0.002	0.000	0.000	0.000	0.000
9	A	46	ARG	1	0.881	0.946	14.861	0.011	0.011	0.000	0.000	0.000	0.000
10	A	47	VAL	0	0.036	0.035	8.703	-0.059	-0.059	0.000	0.000	0.000	0.000
11	A	48	ASN	0	0.010	0.003	12.028	0.200	0.200	0.000	0.000	0.000	0.000
12	A	49	PHE	0	0.053	0.013	7.027	-0.090	-0.090	0.000	0.000	0.000	0.000
13	A	50	ASN	0	0.010	-0.007	11.095	0.240	0.240	0.000	0.000	0.000	0.000
14	A	51	GLU	-1	-0.810	-0.881	9.538	-0.506	-0.506	0.000	0.000	0.000	0.000
15	A	52	ASN	0	-0.020	-0.006	7.509	0.279	0.279	0.000	0.000	0.000	0.000
16	A	53	TRP	0	0.028	0.019	8.791	0.463	0.463	0.000	0.000	0.000	0.000
17	A	54	ARG	1	0.745	0.870	11.541	-0.650	-0.650	0.000	0.000	0.000	0.000
18	A	55	PHE	0	0.010	-0.012	13.925	0.027	0.027	0.000	0.000	0.000	0.000
19	A	56	GLN	0	0.014	0.021	17.585	-0.045	-0.045	0.000	0.000	0.000	0.000
20	A	57	ARG	1	0.925	0.960	20.851	-0.127	-0.127	0.000	0.000	0.000	0.000
21	A	58	GLU	-1	-0.744	-0.841	24.431	0.263	0.263	0.000	0.000	0.000	0.000
22	A	59	THR	0	-0.020	-0.016	26.960	-0.013	-0.013	0.000	0.000	0.000	0.000
23	A	60	ASN	0	-0.023	-0.014	29.704	-0.020	-0.020	0.000	0.000	0.000	0.000
24	A	61	GLY	0	0.049	0.040	31.386	-0.002	-0.002	0.000	0.000	0.000	0.000
25	A	62	SER	0	-0.093	-0.070	27.691	0.013	0.013	0.000	0.000	0.000	0.000
26	A	63	ILE	0	-0.012	-0.013	22.337	-0.007	-0.007	0.000	0.000	0.000	0.000
27	A	64	ALA	0	-0.003	-0.011	23.937	0.031	0.031	0.000	0.000	0.000	0.000
28	A	65	GLY	0	0.020	0.009	22.598	0.003	0.003	0.000	0.000	0.000	0.000
29	A	66	ALA	0	0.028	0.022	19.308	0.047	0.047	0.000	0.000	0.000	0.000
30	A	67	GLN	0	0.017	0.003	17.770	0.058	0.058	0.000	0.000	0.000	0.000
31	A	68	ASN	0	0.007	0.011	17.450	0.066	0.066	0.000	0.000	0.000	0.000
32	A	69	PRO	0	0.042	0.011	12.937	-0.001	-0.001	0.000	0.000	0.000	0.000
33	A	70	GLY	0	0.005	0.002	13.803	0.051	0.051	0.000	0.000	0.000	0.000
34	A	71	PHE	0	-0.039	0.001	15.782	-0.083	-0.083	0.000	0.000	0.000	0.000
35	A	72	ASP	-1	-0.767	-0.861	15.771	0.457	0.457	0.000	0.000	0.000	0.000
36	A	73	ASP	-1	-0.803	-0.884	12.851	0.789	0.789	0.000	0.000	0.000	0.000
37	A	74	SER	0	-0.055	-0.068	14.755	-0.047	-0.047	0.000	0.000	0.000	0.000
38	A	75	SER	0	0.006	0.004	15.772	-0.035	-0.035	0.000	0.000	0.000	0.000
39	A	76	TRP	0	-0.030	-0.014	16.036	-0.012	-0.012	0.000	0.000	0.000	0.000
40	A	77	ARG	1	0.848	0.889	16.057	-0.111	-0.111	0.000	0.000	0.000	0.000
41	A	78	LYS	1	0.927	0.949	10.240	0.046	0.046	0.000	0.000	0.000	0.000
42	A	79	LEU	0	-0.063	-0.025	13.728	-0.071	-0.071	0.000	0.000	0.000	0.000
43	A	80	ASN	0	-0.015	-0.016	12.646	0.106	0.106	0.000	0.000	0.000	0.000
44	A	81	LEU	0	0.009	0.027	14.424	-0.005	-0.005	0.000	0.000	0.000	0.000
45	A	82	PRO	0	-0.008	0.004	16.668	-0.047	-0.047	0.000	0.000	0.000	0.000
46	A	83	HIS	0	-0.026	-0.025	18.901	0.009	0.009	0.000	0.000	0.000	0.000
47	A	84	ASP	-1	-0.733	-0.846	20.747	0.117	0.117	0.000	0.000	0.000	0.000
48	A	85	TRP	0	0.001	-0.016	22.992	-0.006	-0.006	0.000	0.000	0.000	0.000
49	A	86	SER	0	-0.050	-0.034	24.983	-0.006	-0.006	0.000	0.000	0.000	0.000
50	A	87	ILE	0	-0.010	0.013	26.768	-0.009	-0.009	0.000	0.000	0.000	0.000
51	A	88	GLU	-1	-0.770	-0.839	23.427	0.090	0.090	0.000	0.000	0.000	0.000
52	A	89	LEU	0	-0.049	-0.005	27.870	-0.005	-0.005	0.000	0.000	0.000	0.000
53	A	90	ASP	-1	-0.842	-0.897	30.565	0.037	0.037	0.000	0.000	0.000	0.000
54	A	91	PHE	0	-0.012	-0.015	34.224	0.007	0.007	0.000	0.000	0.000	0.000
55	A	92	ASN	0	0.012	0.006	36.134	-0.010	-0.010	0.000	0.000	0.000	0.000
56	A	93	LYS	1	0.955	0.971	37.995	-0.038	-0.038	0.000	0.000	0.000	0.000
57	A	94	ASN	0	-0.038	-0.026	40.738	-0.003	-0.003	0.000	0.000	0.000	0.000
58	A	95	SER	0	-0.031	-0.026	35.913	0.005	0.005	0.000	0.000	0.000	0.000
59	A	96	LEU	0	0.033	0.008	36.066	-0.004	-0.004	0.000	0.000	0.000	0.000
60	A	97	ALA	0	-0.005	0.014	35.497	0.000	0.000	0.000	0.000	0.000	0.000
61	A	98	THR	0	-0.059	-0.031	37.400	-0.006	-0.006	0.000	0.000	0.000	0.000
62	A	99	HIS	0	0.094	0.037	39.885	0.000	0.000	0.000	0.000	0.000	0.000
63	A	100	GLU	-1	-0.855	-0.915	40.932	0.061	0.061	0.000	0.000	0.000	0.000
64	A	101	GLY	0	0.039	0.023	37.001	-0.001	-0.001	0.000	0.000	0.000	0.000
65	A	102	GLY	0	0.038	0.004	35.976	0.002	0.002	0.000	0.000	0.000	0.000
66	A	103	TYR	0	-0.084	-0.049	37.430	-0.005	-0.005	0.000	0.000	0.000	0.000
67	A	104	LEU	0	0.010	0.015	32.357	-0.001	-0.001	0.000	0.000	0.000	0.000
68	A	105	ASP	-1	-0.783	-0.854	32.202	0.101	0.101	0.000	0.000	0.000	0.000
69	A	106	GLY	0	0.038	0.042	29.508	0.002	0.002	0.000	0.000	0.000	0.000
70	A	107	GLY	0	-0.020	-0.009	29.324	0.003	0.003	0.000	0.000	0.000	0.000
71	A	108	ILE	0	-0.003	-0.006	25.702	0.010	0.010	0.000	0.000	0.000	0.000
72	A	109	GLY	0	0.012	0.008	23.448	-0.013	-0.013	0.000	0.000	0.000	0.000
73	A	110	TRP	0	-0.036	-0.033	19.097	0.028	0.028	0.000	0.000	0.000	0.000
74	A	111	TYR	0	-0.003	-0.016	15.392	-0.031	-0.031	0.000	0.000	0.000	0.000
75	A	112	ARG	1	0.779	0.867	13.218	-0.786	-0.786	0.000	0.000	0.000	0.000
76	A	113	LYS	1	0.847	0.934	7.047	-1.244	-1.244	0.000	0.000	0.000	0.000
77	A	114	THR	0	0.027	0.019	6.523	0.020	0.020	0.000	0.000	0.000	0.000
78	A	115	PHE	0	-0.039	-0.015	3.363	-1.183	0.126	0.154	-0.779	-0.683	0.006
79	A	116	THR	0	0.048	0.014	1.843	-18.352	-24.609	19.427	-6.569	-6.602	0.019
80	A	117	ILE	0	0.010	0.000	2.363	-2.523	-1.927	3.360	-2.119	-1.837	-0.024
81	A	118	PRO	0	0.020	0.021	3.773	0.448	0.754	0.002	-0.031	-0.277	0.000
82	A	119	GLU	-1	-0.789	-0.905	5.385	0.517	0.552	-0.001	0.000	-0.033	0.000
83	A	120	SER	0	-0.027	-0.008	8.351	0.068	0.068	0.000	0.000	0.000	0.000
84	A	121	MET	0	-0.015	0.006	7.449	0.137	0.137	0.000	0.000	0.000	0.000
85	A	122	LYS	1	0.824	0.906	8.720	-0.867	-0.867	0.000	0.000	0.000	0.000
86	A	123	GLY	0	-0.032	-0.011	12.235	-0.100	-0.100	0.000	0.000	0.000	0.000
87	A	124	LYS	1	0.853	0.930	13.064	-0.078	-0.078	0.000	0.000	0.000	0.000
88	A	125	ARG	1	0.779	0.877	14.341	-0.262	-0.262	0.000	0.000	0.000	0.000
89	A	126	ILE	0	0.030	-0.010	9.594	-0.022	-0.022	0.000	0.000	0.000	0.000
90	A	127	SER	0	-0.015	-0.019	13.670	0.050	0.050	0.000	0.000	0.000	0.000
91	A	128	LEU	0	-0.025	0.000	12.356	-0.009	-0.009	0.000	0.000	0.000	0.000
92	A	129	ASP	-1	-0.781	-0.837	14.524	0.232	0.232	0.000	0.000	0.000	0.000
93	A	130	PHE	0	0.016	-0.008	16.379	0.009	0.009	0.000	0.000	0.000	0.000
94	A	131	ASP	-1	-0.744	-0.882	19.159	0.077	0.077	0.000	0.000	0.000	0.000
95	A	132	GLY	0	0.005	-0.002	21.601	-0.023	-0.023	0.000	0.000	0.000	0.000
96	A	133	VAL	0	-0.044	-0.021	20.411	0.008	0.008	0.000	0.000	0.000	0.000
97	A	134	TYR	0	0.021	0.022	23.358	-0.009	-0.009	0.000	0.000	0.000	0.000
98	A	135	MET	0	0.004	-0.012	26.021	-0.002	-0.002	0.000	0.000	0.000	0.000
99	A	136	ASN	0	-0.061	-0.023	26.584	0.015	0.015	0.000	0.000	0.000	0.000
100	A	137	SER	0	-0.005	0.023	22.001	0.004	0.004	0.000	0.000	0.000	0.000
101	A	138	THR	0	0.008	0.008	22.284	-0.017	-0.017	0.000	0.000	0.000	0.000
102	A	139	THR	0	-0.011	0.005	16.768	0.030	0.030	0.000	0.000	0.000	0.000
103	A	140	TYR	0	0.019	-0.005	17.385	-0.056	-0.056	0.000	0.000	0.000	0.000
104	A	141	LEU	0	-0.003	-0.005	10.950	0.097	0.097	0.000	0.000	0.000	0.000
105	A	142	ASN	0	-0.038	-0.037	11.365	0.086	0.086	0.000	0.000	0.000	0.000
106	A	143	GLY	0	0.000	-0.004	14.227	-0.069	-0.069	0.000	0.000	0.000	0.000
107	A	144	GLU	-1	-0.917	-0.932	17.679	0.433	0.433	0.000	0.000	0.000	0.000
108	A	145	VAL	0	-0.039	-0.028	18.631	0.053	0.053	0.000	0.000	0.000	0.000
109	A	146	LEU	0	-0.049	-0.028	15.207	-0.011	-0.011	0.000	0.000	0.000	0.000
110	A	147	GLY	0	0.024	0.006	19.899	-0.041	-0.041	0.000	0.000	0.000	0.000
111	A	148	THR	0	-0.027	-0.033	22.600	0.029	0.029	0.000	0.000	0.000	0.000
112	A	149	TYR	0	-0.029	-0.032	24.324	-0.013	-0.013	0.000	0.000	0.000	0.000
113	A	150	PRO	0	0.009	0.010	26.149	-0.002	-0.002	0.000	0.000	0.000	0.000
114	A	151	PHE	0	0.016	0.007	29.300	-0.008	-0.008	0.000	0.000	0.000	0.000
115	A	152	GLY	0	0.023	0.002	27.787	0.010	0.010	0.000	0.000	0.000	0.000
116	A	153	TYR	0	-0.025	0.001	28.067	-0.003	-0.003	0.000	0.000	0.000	0.000
117	A	154	ASN	0	-0.031	-0.023	27.666	-0.021	-0.021	0.000	0.000	0.000	0.000
118	A	155	ALA	0	-0.008	0.015	23.238	0.016	0.016	0.000	0.000	0.000	0.000
119	A	156	PHE	0	-0.023	-0.015	20.360	0.003	0.003	0.000	0.000	0.000	0.000
120	A	157	SER	0	-0.056	-0.067	18.727	0.011	0.011	0.000	0.000	0.000	0.000
121	A	158	TYR	0	0.023	0.017	17.190	-0.012	-0.012	0.000	0.000	0.000	0.000
122	A	159	ASP	-1	-0.784	-0.863	16.536	0.516	0.516	0.000	0.000	0.000	0.000
123	A	160	ILE	0	-0.037	-0.040	10.955	0.042	0.042	0.000	0.000	0.000	0.000
124	A	161	SER	0	0.023	0.008	13.394	0.114	0.114	0.000	0.000	0.000	0.000
125	A	162	ASP	-1	-0.850	-0.924	13.870	0.543	0.543	0.000	0.000	0.000	0.000
126	A	163	LYS	1	0.880	0.952	14.472	-0.540	-0.540	0.000	0.000	0.000	0.000
127	A	164	LEU	0	0.009	0.017	8.228	0.119	0.119	0.000	0.000	0.000	0.000
128	A	165	TYR	0	-0.007	-0.010	9.883	-0.260	-0.260	0.000	0.000	0.000	0.000
129	A	166	LYS	1	0.854	0.910	9.260	-0.581	-0.581	0.000	0.000	0.000	0.000
130	A	167	ASP	-1	-0.842	-0.933	10.679	1.197	1.197	0.000	0.000	0.000	0.000
131	A	168	GLY	0	0.039	0.019	6.957	-0.165	-0.165	0.000	0.000	0.000	0.000
132	A	169	ARG	1	0.840	0.942	6.836	-0.544	-0.544	0.000	0.000	0.000	0.000
133	A	170	ALA	0	-0.007	-0.012	5.876	0.460	0.460	0.000	0.000	0.000	0.000
134	A	171	ASN	0	0.013	0.035	6.417	-1.213	-1.213	0.000	0.000	0.000	0.000
135	A	172	VAL	0	-0.014	-0.010	7.659	0.463	0.463	0.000	0.000	0.000	0.000
136	A	173	LEU	0	0.015	0.023	10.325	-0.248	-0.248	0.000	0.000	0.000	0.000
137	A	174	VAL	0	-0.035	-0.020	12.139	-0.017	-0.017	0.000	0.000	0.000	0.000
138	A	175	VAL	0	0.029	0.010	15.328	-0.038	-0.038	0.000	0.000	0.000	0.000
139	A	176	LYS	1	0.828	0.942	18.034	-0.329	-0.329	0.000	0.000	0.000	0.000
140	A	177	VAL	0	0.009	-0.011	21.092	-0.006	-0.006	0.000	0.000	0.000	0.000
141	A	178	ASN	0	0.009	0.009	23.771	-0.025	-0.025	0.000	0.000	0.000	0.000
142	A	179	ASN	0	0.042	0.023	27.573	-0.012	-0.012	0.000	0.000	0.000	0.000
143	A	180	THR	0	-0.006	-0.016	29.923	-0.010	-0.010	0.000	0.000	0.000	0.000
144	A	181	GLN	0	0.001	0.025	32.882	-0.003	-0.003	0.000	0.000	0.000	0.000
145	A	182	PRO	0	0.035	0.004	35.817	0.000	0.000	0.000	0.000	0.000	0.000
146	A	183	SER	0	0.000	-0.034	33.269	-0.003	-0.003	0.000	0.000	0.000	0.000
147	A	184	SER	0	-0.022	-0.018	35.211	0.001	0.001	0.000	0.000	0.000	0.000
148	A	185	ARG	1	0.801	0.883	37.327	-0.058	-0.058	0.000	0.000	0.000	0.000
149	A	186	TRP	0	-0.011	0.006	34.612	-0.007	-0.007	0.000	0.000	0.000	0.000
150	A	187	TYR	0	-0.047	-0.050	29.049	0.009	0.009	0.000	0.000	0.000	0.000
151	A	188	SER	0	-0.009	-0.022	30.755	-0.005	-0.005	0.000	0.000	0.000	0.000
152	A	189	GLY	0	0.046	0.032	28.522	0.000	0.000	0.000	0.000	0.000	0.000
153	A	190	SER	0	-0.048	-0.024	26.700	0.006	0.006	0.000	0.000	0.000	0.000
154	A	191	GLY	0	0.039	0.026	22.570	-0.002	-0.002	0.000	0.000	0.000	0.000
155	A	192	ILE	0	-0.012	0.009	16.791	-0.007	-0.007	0.000	0.000	0.000	0.000
156	A	193	TYR	0	-0.023	-0.025	20.110	-0.020	-0.020	0.000	0.000	0.000	0.000
157	A	194	ARG	1	0.822	0.900	21.418	-0.149	-0.149	0.000	0.000	0.000	0.000
158	A	195	ASN	0	0.017	0.020	18.240	0.021	0.021	0.000	0.000	0.000	0.000
159	A	196	VAL	0	0.020	0.006	14.085	0.032	0.032	0.000	0.000	0.000	0.000
160	A	197	TYR	0	-0.091	-0.071	13.341	-0.067	-0.067	0.000	0.000	0.000	0.000
161	A	198	LEU	0	-0.015	0.006	7.935	0.148	0.148	0.000	0.000	0.000	0.000
162	A	199	THR	0	-0.028	-0.037	12.216	-0.161	-0.161	0.000	0.000	0.000	0.000
163	A	200	VAL	0	-0.044	-0.017	10.973	0.095	0.095	0.000	0.000	0.000	0.000
164	A	201	THR	0	-0.010	-0.016	14.346	-0.062	-0.062	0.000	0.000	0.000	0.000
165	A	202	ASP	-1	-0.801	-0.895	16.810	0.107	0.107	0.000	0.000	0.000	0.000
166	A	203	PRO	0	0.017	0.001	18.422	0.014	0.014	0.000	0.000	0.000	0.000
167	A	204	ILE	0	-0.034	0.010	21.025	0.004	0.004	0.000	0.000	0.000	0.000
168	A	205	HIS	1	0.805	0.879	21.427	-0.175	-0.175	0.000	0.000	0.000	0.000
169	A	206	VAL	0	0.008	0.007	23.510	0.009	0.009	0.000	0.000	0.000	0.000
170	A	207	ALA	0	0.000	0.014	23.391	0.015	0.015	0.000	0.000	0.000	0.000
171	A	208	ARG	1	0.861	0.905	21.556	-0.191	-0.191	0.000	0.000	0.000	0.000
172	A	209	TYR	0	-0.040	-0.034	24.415	-0.007	-0.007	0.000	0.000	0.000	0.000
173	A	210	GLY	0	0.012	0.034	26.405	-0.007	-0.007	0.000	0.000	0.000	0.000
174	A	211	THR	0	-0.029	-0.051	28.262	-0.003	-0.003	0.000	0.000	0.000	0.000
175	A	212	PHE	0	0.017	0.011	30.846	0.004	0.004	0.000	0.000	0.000	0.000
176	A	213	VAL	0	-0.017	0.005	33.511	-0.002	-0.002	0.000	0.000	0.000	0.000
177	A	214	THR	0	0.013	0.011	36.062	0.002	0.002	0.000	0.000	0.000	0.000
178	A	215	THR	0	0.032	-0.003	39.701	-0.004	-0.004	0.000	0.000	0.000	0.000
179	A	216	PRO	0	0.028	0.012	42.813	0.000	0.000	0.000	0.000	0.000	0.000
180	A	217	ASN	0	-0.008	-0.011	45.804	-0.002	-0.002	0.000	0.000	0.000	0.000
181	A	218	LEU	0	0.043	0.049	44.769	-0.001	-0.001	0.000	0.000	0.000	0.000
182	A	219	GLU	-1	-0.835	-0.910	48.310	0.000	0.000	0.000	0.000	0.000	0.000
183	A	220	LYS	1	0.904	0.941	51.376	-0.009	-0.009	0.000	0.000	0.000	0.000
184	A	221	SER	0	0.043	0.004	49.010	-0.001	-0.001	0.000	0.000	0.000	0.000
185	A	222	ILE	0	0.008	0.005	48.509	-0.002	-0.002	0.000	0.000	0.000	0.000
186	A	223	LYS	1	0.785	0.888	51.263	-0.001	-0.001	0.000	0.000	0.000	0.000
187	A	224	GLU	-1	-0.853	-0.898	53.389	-0.006	-0.006	0.000	0.000	0.000	0.000
188	A	225	ASP	-1	-0.817	-0.907	51.258	-0.024	-0.024	0.000	0.000	0.000	0.000
189	A	226	ARG	1	0.700	0.805	48.450	0.003	0.003	0.000	0.000	0.000	0.000
190	A	227	ALA	0	0.011	0.021	44.398	0.002	0.002	0.000	0.000	0.000	0.000
191	A	228	ASP	-1	-0.784	-0.854	45.148	-0.006	-0.006	0.000	0.000	0.000	0.000
192	A	229	VAL	0	-0.026	-0.023	39.214	0.002	0.002	0.000	0.000	0.000	0.000
193	A	230	ASN	0	-0.078	-0.049	40.739	0.003	0.003	0.000	0.000	0.000	0.000
194	A	231	ILE	0	0.029	0.016	34.639	0.001	0.001	0.000	0.000	0.000	0.000
195	A	232	LYS	1	0.834	0.895	35.908	-0.028	-0.028	0.000	0.000	0.000	0.000
196	A	233	THR	0	0.035	0.008	30.099	0.002	0.002	0.000	0.000	0.000	0.000
197	A	234	LYS	1	0.862	0.933	29.712	-0.054	-0.054	0.000	0.000	0.000	0.000
198	A	235	ILE	0	0.028	0.020	27.242	0.002	0.002	0.000	0.000	0.000	0.000
199	A	236	SER	0	0.017	0.018	24.376	0.000	0.000	0.000	0.000	0.000	0.000
200	A	237	ASN	0	-0.028	-0.016	25.637	0.000	0.000	0.000	0.000	0.000	0.000
201	A	238	ASP	-1	-0.797	-0.884	21.090	0.223	0.223	0.000	0.000	0.000	0.000
202	A	239	ALA	0	-0.016	-0.005	22.876	0.024	0.024	0.000	0.000	0.000	0.000
203	A	240	ALA	0	-0.001	-0.008	24.305	-0.004	-0.004	0.000	0.000	0.000	0.000
204	A	241	GLU	-1	-0.840	-0.902	26.590	0.084	0.084	0.000	0.000	0.000	0.000
205	A	242	ALA	0	-0.021	-0.012	28.685	-0.001	-0.001	0.000	0.000	0.000	0.000
206	A	243	LYS	1	0.808	0.880	27.272	-0.086	-0.086	0.000	0.000	0.000	0.000
207	A	244	GLN	0	0.014	0.024	31.094	0.008	0.008	0.000	0.000	0.000	0.000
208	A	245	VAL	0	-0.025	-0.020	29.346	-0.002	-0.002	0.000	0.000	0.000	0.000
209	A	246	LYS	1	0.874	0.936	31.584	0.013	0.013	0.000	0.000	0.000	0.000
210	A	247	ILE	0	-0.010	-0.009	30.005	0.001	0.001	0.000	0.000	0.000	0.000
211	A	248	LYS	1	0.841	0.910	30.903	0.051	0.051	0.000	0.000	0.000	0.000
212	A	249	SER	0	-0.014	-0.006	31.585	-0.003	-0.003	0.000	0.000	0.000	0.000
213	A	250	THR	0	0.004	-0.007	32.017	0.003	0.003	0.000	0.000	0.000	0.000
214	A	251	ILE	0	-0.020	-0.001	32.869	-0.002	-0.002	0.000	0.000	0.000	0.000
215	A	252	TYR	0	0.038	0.011	30.987	-0.002	-0.002	0.000	0.000	0.000	0.000
216	A	253	ASP	-1	-0.764	-0.871	34.878	-0.055	-0.055	0.000	0.000	0.000	0.000
217	A	254	GLY	0	0.011	0.009	34.638	-0.006	-0.006	0.000	0.000	0.000	0.000
218	A	255	ALA	0	-0.052	-0.019	34.327	-0.006	-0.006	0.000	0.000	0.000	0.000
219	A	256	GLY	0	0.005	0.003	32.925	-0.007	-0.007	0.000	0.000	0.000	0.000
220	A	257	ASN	0	-0.052	-0.022	33.667	-0.004	-0.004	0.000	0.000	0.000	0.000
221	A	258	THR	0	0.013	0.003	34.709	0.002	0.002	0.000	0.000	0.000	0.000
222	A	259	VAL	0	-0.061	-0.032	36.758	0.002	0.002	0.000	0.000	0.000	0.000
223	A	260	GLN	0	-0.009	-0.018	38.166	0.003	0.003	0.000	0.000	0.000	0.000
224	A	261	THR	0	-0.023	-0.019	35.521	-0.006	-0.006	0.000	0.000	0.000	0.000
225	A	262	VAL	0	-0.022	0.008	36.999	0.002	0.002	0.000	0.000	0.000	0.000
226	A	263	GLU	-1	-0.845	-0.903	34.825	-0.025	-0.025	0.000	0.000	0.000	0.000
227	A	264	THR	0	-0.051	-0.037	35.827	0.003	0.003	0.000	0.000	0.000	0.000
228	A	265	GLU	-1	-0.850	-0.928	37.551	0.001	0.001	0.000	0.000	0.000	0.000
229	A	266	GLU	-1	-0.927	-0.955	35.685	0.016	0.016	0.000	0.000	0.000	0.000
230	A	267	LYS	1	0.854	0.919	35.258	-0.043	-0.043	0.000	0.000	0.000	0.000
231	A	268	THR	0	0.001	-0.012	34.331	0.001	0.001	0.000	0.000	0.000	0.000
232	A	269	ALA	0	-0.010	0.015	30.334	0.004	0.004	0.000	0.000	0.000	0.000
233	A	270	ALA	0	0.040	0.007	31.293	0.004	0.004	0.000	0.000	0.000	0.000
234	A	271	ALA	0	0.014	0.020	28.749	0.003	0.003	0.000	0.000	0.000	0.000
235	A	272	GLY	0	0.021	0.022	27.242	0.000	0.000	0.000	0.000	0.000	0.000
236	A	273	THR	0	-0.078	-0.043	28.288	-0.004	-0.004	0.000	0.000	0.000	0.000
237	A	274	VAL	0	0.026	-0.003	27.978	0.003	0.003	0.000	0.000	0.000	0.000
238	A	275	THR	0	0.009	0.010	30.312	-0.007	-0.007	0.000	0.000	0.000	0.000
239	A	276	PRO	0	-0.006	-0.003	32.139	-0.003	-0.003	0.000	0.000	0.000	0.000
240	A	277	PHE	0	0.025	0.000	31.979	-0.004	-0.004	0.000	0.000	0.000	0.000
241	A	278	GLU	-1	-0.816	-0.890	35.648	0.031	0.031	0.000	0.000	0.000	0.000
242	A	279	GLN	0	-0.013	0.007	35.844	-0.002	-0.002	0.000	0.000	0.000	0.000
243	A	280	ASN	0	0.010	0.013	39.449	0.002	0.002	0.000	0.000	0.000	0.000
244	A	281	THR	0	0.034	0.019	39.493	-0.003	-0.003	0.000	0.000	0.000	0.000
245	A	282	VAL	0	0.013	0.011	42.702	0.002	0.002	0.000	0.000	0.000	0.000
246	A	283	ILE	0	-0.007	0.009	39.783	-0.004	-0.004	0.000	0.000	0.000	0.000
247	A	284	LYS	1	0.831	0.888	44.148	0.022	0.022	0.000	0.000	0.000	0.000
248	A	285	GLN	0	-0.010	0.006	45.948	-0.003	-0.003	0.000	0.000	0.000	0.000
249	A	286	PRO	0	-0.054	-0.009	44.320	-0.003	-0.003	0.000	0.000	0.000	0.000
250	A	287	LYS	1	0.901	0.932	41.354	0.049	0.049	0.000	0.000	0.000	0.000
251	A	288	LEU	0	-0.001	-0.008	42.288	0.000	0.000	0.000	0.000	0.000	0.000
252	A	289	TRP	0	-0.074	-0.015	37.598	0.000	0.000	0.000	0.000	0.000	0.000
253	A	290	SER	0	-0.022	-0.039	41.888	0.004	0.004	0.000	0.000	0.000	0.000
254	A	291	ILE	0	0.010	0.003	42.494	-0.003	-0.003	0.000	0.000	0.000	0.000
255	A	292	ASP	-1	-0.855	-0.910	43.515	-0.030	-0.030	0.000	0.000	0.000	0.000
256	A	293	LYS	1	0.871	0.916	42.977	0.028	0.028	0.000	0.000	0.000	0.000
257	A	294	PRO	0	0.036	0.040	38.127	0.002	0.002	0.000	0.000	0.000	0.000
258	A	295	TYR	0	-0.088	-0.070	38.032	-0.005	-0.005	0.000	0.000	0.000	0.000
259	A	296	ARG	1	0.808	0.867	30.651	0.038	0.038	0.000	0.000	0.000	0.000
260	A	297	TYR	0	0.000	0.013	35.664	-0.006	-0.006	0.000	0.000	0.000	0.000
261	A	298	ASN	0	-0.006	-0.023	28.057	0.012	0.012	0.000	0.000	0.000	0.000
262	A	299	LEU	0	-0.014	0.016	31.298	-0.003	-0.003	0.000	0.000	0.000	0.000
263	A	300	VAL	0	0.034	0.022	27.097	0.000	0.000	0.000	0.000	0.000	0.000
264	A	301	THR	0	-0.026	-0.025	28.041	0.006	0.006	0.000	0.000	0.000	0.000
265	A	302	GLU	-1	-0.783	-0.869	26.990	-0.062	-0.062	0.000	0.000	0.000	0.000
266	A	303	VAL	0	0.012	-0.005	25.638	0.010	0.010	0.000	0.000	0.000	0.000
267	A	304	ILE	0	-0.017	-0.008	26.625	-0.006	-0.006	0.000	0.000	0.000	0.000
268	A	305	VAL	0	0.034	0.010	27.161	0.011	0.011	0.000	0.000	0.000	0.000
269	A	306	GLY	0	0.021	0.013	28.910	-0.006	-0.006	0.000	0.000	0.000	0.000
270	A	307	GLY	0	-0.027	-0.011	31.097	-0.006	-0.006	0.000	0.000	0.000	0.000
271	A	308	GLN	0	0.011	0.012	24.585	-0.012	-0.012	0.000	0.000	0.000	0.000
272	A	309	THR	0	-0.010	-0.019	24.906	0.016	0.016	0.000	0.000	0.000	0.000
273	A	310	VAL	0	-0.040	-0.015	22.782	-0.014	-0.014	0.000	0.000	0.000	0.000
274	A	311	ASP	-1	-0.728	-0.832	21.322	0.032	0.032	0.000	0.000	0.000	0.000
275	A	312	THR	0	-0.038	-0.031	22.163	-0.013	-0.013	0.000	0.000	0.000	0.000
276	A	313	TYR	0	-0.003	0.009	22.406	0.001	0.001	0.000	0.000	0.000	0.000
277	A	314	GLU	-1	-0.784	-0.878	24.651	-0.105	-0.105	0.000	0.000	0.000	0.000
278	A	315	THR	0	-0.053	-0.018	26.635	0.019	0.019	0.000	0.000	0.000	0.000
279	A	316	LYS	1	0.866	0.928	27.313	0.059	0.059	0.000	0.000	0.000	0.000
280	A	317	PHE	0	0.022	0.014	31.094	0.009	0.009	0.000	0.000	0.000	0.000
281	A	318	GLY	0	0.058	0.009	34.674	-0.008	-0.008	0.000	0.000	0.000	0.000
282	A	319	VAL	0	-0.022	0.004	38.168	0.005	0.005	0.000	0.000	0.000	0.000
283	A	320	ARG	1	0.867	0.936	39.999	-0.009	-0.009	0.000	0.000	0.000	0.000
284	A	321	TYR	0	0.006	0.011	43.601	0.003	0.003	0.000	0.000	0.000	0.000
285	A	322	PHE	0	0.023	0.007	42.973	-0.002	-0.002	0.000	0.000	0.000	0.000
286	A	323	LYS	1	0.818	0.898	47.886	-0.011	-0.011	0.000	0.000	0.000	0.000
287	A	324	PHE	0	0.080	0.036	46.340	-0.001	-0.001	0.000	0.000	0.000	0.000
288	A	325	ASP	-1	-0.824	-0.904	51.689	0.012	0.012	0.000	0.000	0.000	0.000
289	A	326	GLU	-1	-0.807	-0.881	55.488	0.018	0.018	0.000	0.000	0.000	0.000
290	A	327	ASN	0	-0.068	-0.043	57.865	0.000	0.000	0.000	0.000	0.000	0.000
291	A	328	GLU	-1	-0.812	-0.899	58.060	0.004	0.004	0.000	0.000	0.000	0.000
292	A	329	GLY	0	0.050	0.039	55.560	-0.002	-0.002	0.000	0.000	0.000	0.000
293	A	330	PHE	0	-0.033	-0.031	46.470	0.002	0.002	0.000	0.000	0.000	0.000
294	A	331	SER	0	-0.003	0.003	50.951	-0.002	-0.002	0.000	0.000	0.000	0.000
295	A	332	LEU	0	-0.008	-0.002	45.199	0.002	0.002	0.000	0.000	0.000	0.000
296	A	333	ASN	0	-0.016	-0.027	45.644	0.000	0.000	0.000	0.000	0.000	0.000
297	A	334	GLY	0	0.022	0.022	49.604	-0.001	-0.001	0.000	0.000	0.000	0.000
298	A	335	GLU	-1	-0.937	-0.958	51.133	-0.011	-0.011	0.000	0.000	0.000	0.000
299	A	336	TYR	0	-0.029	-0.023	52.457	0.001	0.001	0.000	0.000	0.000	0.000
300	A	337	MET	0	-0.025	-0.014	49.029	-0.001	-0.001	0.000	0.000	0.000	0.000
301	A	338	LYS	1	0.807	0.901	52.152	-0.006	-0.006	0.000	0.000	0.000	0.000
302	A	339	LEU	0	-0.014	-0.011	46.142	-0.002	-0.002	0.000	0.000	0.000	0.000
303	A	340	HIS	1	0.871	0.950	48.402	0.002	0.002	0.000	0.000	0.000	0.000
304	A	341	GLY	0	0.088	0.041	45.265	-0.002	-0.002	0.000	0.000	0.000	0.000
305	A	342	VAL	0	-0.050	-0.028	41.500	0.000	0.000	0.000	0.000	0.000	0.000
306	A	343	SER	0	0.019	0.000	41.954	0.003	0.003	0.000	0.000	0.000	0.000
307	A	344	MET	0	-0.037	-0.020	36.852	-0.004	-0.004	0.000	0.000	0.000	0.000
308	A	345	HIS	1	0.839	0.948	36.117	-0.046	-0.046	0.000	0.000	0.000	0.000
309	A	346	HIS	0	-0.006	-0.015	29.737	-0.011	-0.011	0.000	0.000	0.000	0.000
310	A	347	ASP	-1	-0.859	-0.905	30.830	0.038	0.038	0.000	0.000	0.000	0.000
311	A	348	LEU	0	-0.015	-0.014	27.856	-0.009	-0.009	0.000	0.000	0.000	0.000
312	A	349	GLY	0	0.058	0.030	31.582	-0.009	-0.009	0.000	0.000	0.000	0.000
313	A	350	ALA	0	-0.032	-0.017	31.878	0.007	0.007	0.000	0.000	0.000	0.000
314	A	351	LEU	0	-0.007	0.001	26.571	-0.001	-0.001	0.000	0.000	0.000	0.000
315	A	352	GLY	0	0.028	0.015	26.962	0.009	0.009	0.000	0.000	0.000	0.000
316	A	353	ALA	0	0.009	-0.013	27.401	-0.007	-0.007	0.000	0.000	0.000	0.000
317	A	354	ALA	0	-0.068	-0.026	23.105	0.004	0.004	0.000	0.000	0.000	0.000
318	A	355	THR	0	-0.017	-0.017	22.860	-0.023	-0.023	0.000	0.000	0.000	0.000
319	A	356	ASN	0	0.048	-0.012	23.646	-0.012	-0.012	0.000	0.000	0.000	0.000
320	A	357	ALA	0	0.027	0.012	25.050	0.003	0.003	0.000	0.000	0.000	0.000
321	A	358	ARG	1	0.784	0.869	26.941	0.066	0.066	0.000	0.000	0.000	0.000
322	A	359	GLY	0	0.021	0.011	28.489	0.003	0.003	0.000	0.000	0.000	0.000
323	A	360	VAL	0	0.035	0.016	29.091	0.002	0.002	0.000	0.000	0.000	0.000
324	A	361	GLU	-1	-0.841	-0.897	31.081	-0.068	-0.068	0.000	0.000	0.000	0.000
325	A	362	ARG	1	0.862	0.937	32.857	0.030	0.030	0.000	0.000	0.000	0.000
326	A	363	GLN	0	-0.003	-0.003	34.215	0.002	0.002	0.000	0.000	0.000	0.000
327	A	364	MET	0	0.003	-0.006	34.983	0.003	0.003	0.000	0.000	0.000	0.000
328	A	365	GLN	0	0.028	0.022	35.500	0.000	0.000	0.000	0.000	0.000	0.000
329	A	366	ILE	0	0.036	0.026	38.325	0.001	0.001	0.000	0.000	0.000	0.000
330	A	367	MET	0	-0.003	0.013	40.330	0.003	0.003	0.000	0.000	0.000	0.000
331	A	368	LYS	1	0.855	0.936	40.661	0.022	0.022	0.000	0.000	0.000	0.000
332	A	369	ASP	-1	-0.919	-0.958	42.741	-0.030	-0.030	0.000	0.000	0.000	0.000
333	A	370	MET	0	-0.066	-0.010	44.866	0.001	0.001	0.000	0.000	0.000	0.000
334	A	371	GLY	0	0.003	-0.019	46.385	0.001	0.001	0.000	0.000	0.000	0.000
335	A	372	VAL	0	-0.091	-0.031	42.890	0.002	0.002	0.000	0.000	0.000	0.000
336	A	373	ASN	0	-0.024	-0.026	44.359	-0.001	-0.001	0.000	0.000	0.000	0.000
337	A	374	ALA	0	0.017	0.012	42.668	0.000	0.000	0.000	0.000	0.000	0.000
338	A	375	ILE	0	0.009	0.002	37.531	0.000	0.000	0.000	0.000	0.000	0.000
339	A	376	ARG	1	0.792	0.867	40.434	-0.039	-0.039	0.000	0.000	0.000	0.000
340	A	377	VAL	0	0.003	0.002	33.892	-0.002	-0.002	0.000	0.000	0.000	0.000
341	A	378	THR	0	-0.047	-0.009	37.315	0.004	0.004	0.000	0.000	0.000	0.000
342	A	379	HIS	1	0.784	0.867	37.021	-0.052	-0.052	0.000	0.000	0.000	0.000
343	A	380	ASN	0	-0.043	-0.007	32.840	0.005	0.005	0.000	0.000	0.000	0.000
344	A	381	PRO	0	0.023	0.022	30.735	-0.008	-0.008	0.000	0.000	0.000	0.000
345	A	382	ALA	0	0.005	0.006	31.273	0.004	0.004	0.000	0.000	0.000	0.000
346	A	383	SER	0	-0.037	-0.032	26.008	0.010	0.010	0.000	0.000	0.000	0.000
347	A	384	PRO	0	0.068	0.013	23.786	-0.009	-0.009	0.000	0.000	0.000	0.000
348	A	385	GLU	-1	-0.799	-0.863	23.513	0.020	0.020	0.000	0.000	0.000	0.000
349	A	386	LEU	0	0.010	0.009	27.463	-0.010	-0.010	0.000	0.000	0.000	0.000
350	A	387	LEU	0	0.018	0.015	29.915	-0.006	-0.006	0.000	0.000	0.000	0.000
351	A	388	GLU	-1	-0.832	-0.892	28.055	-0.049	-0.049	0.000	0.000	0.000	0.000
352	A	389	ALA	0	-0.013	-0.013	30.637	-0.007	-0.007	0.000	0.000	0.000	0.000
353	A	390	ALA	0	0.033	0.012	32.761	-0.004	-0.004	0.000	0.000	0.000	0.000
354	A	391	ASN	0	-0.019	-0.034	31.843	0.000	0.000	0.000	0.000	0.000	0.000
355	A	392	LYS	1	0.850	0.929	29.651	0.062	0.062	0.000	0.000	0.000	0.000
356	A	393	LEU	0	-0.015	-0.007	34.941	-0.005	-0.005	0.000	0.000	0.000	0.000
357	A	394	GLY	0	0.005	0.025	37.800	0.001	0.001	0.000	0.000	0.000	0.000
358	A	395	LEU	0	-0.041	-0.025	38.076	0.001	0.001	0.000	0.000	0.000	0.000
359	A	396	PHE	0	0.035	-0.001	39.313	0.000	0.000	0.000	0.000	0.000	0.000
360	A	397	ILE	0	-0.015	-0.009	35.689	0.000	0.000	0.000	0.000	0.000	0.000
361	A	398	ILE	0	-0.006	0.012	39.155	0.001	0.001	0.000	0.000	0.000	0.000
362	A	399	GLU	-1	-0.751	-0.884	33.090	0.060	0.060	0.000	0.000	0.000	0.000
363	A	400	GLU	-1	-0.740	-0.844	36.717	0.049	0.049	0.000	0.000	0.000	0.000
364	A	401	ALA	0	0.021	0.026	35.840	0.004	0.004	0.000	0.000	0.000	0.000
365	A	402	PHE	0	0.030	-0.004	34.615	0.006	0.006	0.000	0.000	0.000	0.000
366	A	403	ASP	-1	-0.736	-0.854	38.144	0.058	0.058	0.000	0.000	0.000	0.000
367	A	404	SER	0	-0.025	-0.027	39.729	-0.002	-0.002	0.000	0.000	0.000	0.000
368	A	405	TRP	0	-0.011	-0.026	40.206	0.001	0.001	0.000	0.000	0.000	0.000
369	A	406	ALA	0	0.052	0.029	41.358	0.005	0.005	0.000	0.000	0.000	0.000
370	A	407	GLN	0	-0.073	-0.046	43.260	0.001	0.001	0.000	0.000	0.000	0.000
371	A	408	SER	0	-0.045	-0.045	40.179	-0.001	-0.001	0.000	0.000	0.000	0.000
372	A	409	LYS	1	0.778	0.895	41.938	-0.069	-0.069	0.000	0.000	0.000	0.000
373	A	410	LYS	1	0.751	0.862	39.414	-0.074	-0.074	0.000	0.000	0.000	0.000
374	A	411	PRO	0	0.004	0.010	40.105	0.004	0.004	0.000	0.000	0.000	0.000
375	A	412	TYR	0	0.000	-0.008	34.963	0.009	0.009	0.000	0.000	0.000	0.000
376	A	413	ASP	-1	-0.717	-0.815	34.980	0.107	0.107	0.000	0.000	0.000	0.000
377	A	414	TYR	0	0.014	-0.035	32.887	0.006	0.006	0.000	0.000	0.000	0.000
378	A	415	GLY	0	0.075	0.039	35.942	0.004	0.004	0.000	0.000	0.000	0.000
379	A	416	ARG	1	0.815	0.897	32.888	-0.146	-0.146	0.000	0.000	0.000	0.000
380	A	417	PHE	0	-0.057	-0.026	32.398	0.008	0.008	0.000	0.000	0.000	0.000
381	A	418	PHE	0	0.026	0.035	36.085	0.003	0.003	0.000	0.000	0.000	0.000
382	A	419	ASN	0	0.024	-0.011	37.856	-0.001	-0.001	0.000	0.000	0.000	0.000
383	A	420	ALA	0	-0.034	-0.003	35.538	-0.002	-0.002	0.000	0.000	0.000	0.000
384	A	421	TRP	0	-0.020	-0.011	27.678	0.011	0.011	0.000	0.000	0.000	0.000
385	A	422	ALA	0	0.006	0.013	33.824	0.001	0.001	0.000	0.000	0.000	0.000
386	A	423	GLU	-1	-0.816	-0.895	35.590	0.105	0.105	0.000	0.000	0.000	0.000
387	A	424	HIS	0	0.030	0.012	27.454	-0.005	-0.005	0.000	0.000	0.000	0.000
388	A	425	ASP	-1	-0.746	-0.840	30.410	0.152	0.152	0.000	0.000	0.000	0.000
389	A	426	ILE	0	-0.004	-0.002	32.249	-0.006	-0.006	0.000	0.000	0.000	0.000
390	A	427	LYS	1	0.761	0.882	33.258	-0.106	-0.106	0.000	0.000	0.000	0.000
391	A	428	GLU	-1	-0.778	-0.849	26.312	0.148	0.148	0.000	0.000	0.000	0.000
392	A	429	MET	0	-0.044	-0.003	29.925	-0.007	-0.007	0.000	0.000	0.000	0.000
393	A	430	VAL	0	0.001	-0.004	31.813	-0.009	-0.009	0.000	0.000	0.000	0.000
394	A	431	ASP	-1	-0.818	-0.912	29.802	0.080	0.080	0.000	0.000	0.000	0.000
395	A	432	ARG	1	0.814	0.901	27.221	-0.080	-0.080	0.000	0.000	0.000	0.000
396	A	433	GLY	0	0.002	-0.008	29.170	-0.010	-0.010	0.000	0.000	0.000	0.000
397	A	434	LYS	1	0.760	0.871	30.408	-0.076	-0.076	0.000	0.000	0.000	0.000
398	A	435	ASN	0	0.024	0.007	30.505	-0.007	-0.007	0.000	0.000	0.000	0.000
399	A	436	GLU	-1	-0.848	-0.916	30.637	-0.007	-0.007	0.000	0.000	0.000	0.000
400	A	437	PRO	0	-0.066	-0.014	34.310	0.003	0.003	0.000	0.000	0.000	0.000
401	A	438	ALA	0	0.067	0.037	35.959	0.002	0.002	0.000	0.000	0.000	0.000
402	A	439	ILE	0	-0.016	0.007	33.514	0.001	0.001	0.000	0.000	0.000	0.000
403	A	440	ILE	0	-0.031	-0.011	38.043	-0.002	-0.002	0.000	0.000	0.000	0.000
404	A	441	MET	0	-0.059	-0.020	40.874	0.000	0.000	0.000	0.000	0.000	0.000
405	A	442	TRP	0	0.017	0.003	34.425	0.002	0.002	0.000	0.000	0.000	0.000
406	A	443	SER	0	-0.026	-0.049	40.367	0.000	0.000	0.000	0.000	0.000	0.000
407	A	444	ILE	0	0.029	0.006	40.243	0.005	0.005	0.000	0.000	0.000	0.000
408	A	445	GLY	0	-0.002	0.003	41.258	0.006	0.006	0.000	0.000	0.000	0.000
409	A	446	ASN	0	-0.010	-0.013	42.218	-0.009	-0.009	0.000	0.000	0.000	0.000
410	A	447	GLU	-1	-0.785	-0.892	43.925	0.051	0.051	0.000	0.000	0.000	0.000
411	A	448	ILE	0	-0.064	-0.002	42.761	0.002	0.002	0.000	0.000	0.000	0.000
412	A	449	TYR	0	0.029	0.008	46.383	-0.004	-0.004	0.000	0.000	0.000	0.000
413	A	450	ASP	-1	-0.760	-0.896	45.957	0.071	0.071	0.000	0.000	0.000	0.000
414	A	451	THR	0	-0.040	-0.047	48.373	-0.001	-0.001	0.000	0.000	0.000	0.000
415	A	452	THR	0	-0.039	-0.018	50.787	-0.003	-0.003	0.000	0.000	0.000	0.000
416	A	453	ASN	0	-0.001	-0.009	50.881	-0.001	-0.001	0.000	0.000	0.000	0.000
417	A	454	ALA	0	0.077	0.028	52.584	0.001	0.001	0.000	0.000	0.000	0.000
418	A	455	ALA	0	0.016	0.021	49.164	0.001	0.001	0.000	0.000	0.000	0.000
419	A	456	GLY	0	0.026	0.026	48.031	0.003	0.003	0.000	0.000	0.000	0.000
420	A	457	VAL	0	-0.047	-0.018	48.402	0.001	0.001	0.000	0.000	0.000	0.000
421	A	458	GLU	-1	-0.834	-0.906	48.395	0.061	0.061	0.000	0.000	0.000	0.000
422	A	459	THR	0	-0.016	-0.010	43.464	0.004	0.004	0.000	0.000	0.000	0.000
423	A	460	ALA	0	-0.009	-0.008	44.625	0.002	0.002	0.000	0.000	0.000	0.000
424	A	461	ARG	1	0.828	0.894	45.874	-0.053	-0.053	0.000	0.000	0.000	0.000
425	A	462	ASN	0	-0.045	-0.024	43.032	0.002	0.002	0.000	0.000	0.000	0.000
426	A	463	LEU	0	-0.014	0.004	39.858	0.002	0.002	0.000	0.000	0.000	0.000
427	A	464	VAL	0	0.001	-0.009	41.346	0.000	0.000	0.000	0.000	0.000	0.000
428	A	465	GLY	0	-0.005	0.001	43.179	-0.002	-0.002	0.000	0.000	0.000	0.000
429	A	466	TRP	0	0.026	-0.005	38.062	0.000	0.000	0.000	0.000	0.000	0.000
430	A	467	VAL	0	-0.013	-0.001	38.179	0.002	0.002	0.000	0.000	0.000	0.000
431	A	468	LYS	1	0.860	0.902	39.253	-0.044	-0.044	0.000	0.000	0.000	0.000
432	A	469	GLU	-1	-0.844	-0.914	38.454	0.084	0.084	0.000	0.000	0.000	0.000
433	A	470	ILE	0	-0.081	-0.022	34.112	0.000	0.000	0.000	0.000	0.000	0.000
434	A	471	ASP	-1	-0.730	-0.844	37.102	0.032	0.032	0.000	0.000	0.000	0.000
435	A	472	THR	0	-0.025	-0.009	39.113	0.000	0.000	0.000	0.000	0.000	0.000
436	A	473	THR	0	-0.124	-0.082	40.228	-0.004	-0.004	0.000	0.000	0.000	0.000
437	A	474	ARG	1	0.748	0.847	36.789	-0.031	-0.031	0.000	0.000	0.000	0.000
438	A	475	PRO	0	-0.031	-0.002	42.854	0.003	0.003	0.000	0.000	0.000	0.000
439	A	476	THR	0	0.036	-0.019	42.637	0.002	0.002	0.000	0.000	0.000	0.000
440	A	477	THR	0	-0.025	-0.032	43.798	-0.004	-0.004	0.000	0.000	0.000	0.000
441	A	478	ILE	0	-0.016	-0.007	44.772	0.005	0.005	0.000	0.000	0.000	0.000
442	A	479	GLY	0	0.042	0.039	45.529	-0.004	-0.004	0.000	0.000	0.000	0.000
443	A	480	GLU	-1	-0.803	-0.868	46.941	0.050	0.050	0.000	0.000	0.000	0.000
444	A	481	ASP	-1	-0.781	-0.888	50.001	0.040	0.040	0.000	0.000	0.000	0.000
445	A	482	LYS	1	0.775	0.876	49.780	-0.051	-0.051	0.000	0.000	0.000	0.000
446	A	483	THR	0	0.004	0.005	54.747	0.000	0.000	0.000	0.000	0.000	0.000
447	A	484	ARG	1	0.840	0.929	52.786	-0.037	-0.037	0.000	0.000	0.000	0.000
448	A	485	GLY	0	0.020	0.014	57.616	-0.002	-0.002	0.000	0.000	0.000	0.000
449	A	486	ASP	-1	-0.815	-0.887	60.458	0.023	0.023	0.000	0.000	0.000	0.000
450	A	487	LYS	1	0.805	0.896	57.817	-0.023	-0.023	0.000	0.000	0.000	0.000
451	A	488	VAL	0	-0.040	-0.015	61.290	-0.002	-0.002	0.000	0.000	0.000	0.000
452	A	489	ASN	0	-0.050	-0.052	64.703	-0.002	-0.002	0.000	0.000	0.000	0.000
453	A	490	VAL	0	-0.011	0.005	63.212	0.001	0.001	0.000	0.000	0.000	0.000
454	A	491	THR	0	-0.030	-0.012	60.430	0.000	0.000	0.000	0.000	0.000	0.000
455	A	492	PRO	0	0.008	0.001	62.193	0.001	0.001	0.000	0.000	0.000	0.000
456	A	493	ILE	0	-0.005	0.009	58.136	0.001	0.001	0.000	0.000	0.000	0.000
457	A	494	ASN	0	0.026	0.016	57.212	0.001	0.001	0.000	0.000	0.000	0.000
458	A	495	SER	0	0.055	0.019	58.272	0.000	0.000	0.000	0.000	0.000	0.000
459	A	496	TYR	0	0.016	0.016	54.487	0.000	0.000	0.000	0.000	0.000	0.000
460	A	497	ILE	0	0.037	0.019	53.380	0.001	0.001	0.000	0.000	0.000	0.000
461	A	498	LYS	1	0.889	0.948	54.447	-0.029	-0.029	0.000	0.000	0.000	0.000
462	A	499	GLU	-1	-0.840	-0.923	54.687	0.045	0.045	0.000	0.000	0.000	0.000
463	A	500	ILE	0	0.020	0.015	49.291	0.000	0.000	0.000	0.000	0.000	0.000
464	A	501	PHE	0	-0.026	-0.033	51.245	0.000	0.000	0.000	0.000	0.000	0.000
465	A	502	ASN	0	-0.078	-0.026	53.359	-0.004	-0.004	0.000	0.000	0.000	0.000
466	A	503	ILE	0	-0.028	-0.002	48.507	0.000	0.000	0.000	0.000	0.000	0.000
467	A	504	VAL	0	-0.018	0.000	46.626	0.001	0.001	0.000	0.000	0.000	0.000
468	A	505	ASP	-1	-0.834	-0.854	46.798	0.036	0.036	0.000	0.000	0.000	0.000
469	A	506	VAL	0	-0.030	-0.023	48.290	-0.003	-0.003	0.000	0.000	0.000	0.000
470	A	507	VAL	0	0.008	0.028	49.124	0.003	0.003	0.000	0.000	0.000	0.000
471	A	508	GLY	0	0.041	0.008	48.810	-0.003	-0.003	0.000	0.000	0.000	0.000
472	A	509	LEU	0	-0.056	-0.023	49.891	0.002	0.002	0.000	0.000	0.000	0.000
473	A	510	ASN	0	0.002	-0.003	46.582	-0.003	-0.003	0.000	0.000	0.000	0.000
474	A	511	TYR	0	-0.095	-0.078	47.256	-0.001	-0.001	0.000	0.000	0.000	0.000
475	A	512	SER	0	0.026	0.008	53.562	0.000	0.000	0.000	0.000	0.000	0.000
476	A	513	GLU	-1	-0.771	-0.898	54.756	0.021	0.021	0.000	0.000	0.000	0.000
477	A	514	ASN	0	-0.048	-0.024	57.947	-0.001	-0.001	0.000	0.000	0.000	0.000
478	A	515	ASN	0	-0.024	-0.026	58.680	-0.001	-0.001	0.000	0.000	0.000	0.000
479	A	516	TYR	0	0.010	0.011	54.368	0.001	0.001	0.000	0.000	0.000	0.000
480	A	517	ASP	-1	-0.779	-0.867	59.383	0.014	0.014	0.000	0.000	0.000	0.000
481	A	518	GLY	0	0.031	0.017	62.582	0.000	0.000	0.000	0.000	0.000	0.000
482	A	519	TYR	0	-0.006	-0.036	57.553	0.001	0.001	0.000	0.000	0.000	0.000
483	A	520	HIS	1	0.894	0.968	60.141	-0.016	-0.016	0.000	0.000	0.000	0.000
484	A	521	LYS	1	0.813	0.877	61.334	-0.014	-0.014	0.000	0.000	0.000	0.000
485	A	522	GLN	0	-0.018	-0.011	63.340	0.001	0.001	0.000	0.000	0.000	0.000
486	A	523	ASN	0	-0.045	-0.017	60.028	0.002	0.002	0.000	0.000	0.000	0.000
487	A	524	PRO	0	0.032	0.017	60.598	0.000	0.000	0.000	0.000	0.000	0.000
488	A	525	SER	0	0.032	0.019	58.349	-0.001	-0.001	0.000	0.000	0.000	0.000
489	A	526	TRP	0	-0.023	-0.032	56.090	0.001	0.001	0.000	0.000	0.000	0.000
490	A	527	LYS	1	0.842	0.922	52.625	-0.023	-0.023	0.000	0.000	0.000	0.000
491	A	528	LEU	0	0.015	0.005	53.275	0.002	0.002	0.000	0.000	0.000	0.000
492	A	529	TYR	0	-0.022	-0.015	46.411	-0.003	-0.003	0.000	0.000	0.000	0.000
493	A	530	GLY	0	0.082	0.046	51.514	0.002	0.002	0.000	0.000	0.000	0.000
494	A	531	SER	0	-0.015	-0.028	46.673	-0.002	-0.002	0.000	0.000	0.000	0.000
495	A	532	GLU	-1	-0.789	-0.857	45.271	0.041	0.041	0.000	0.000	0.000	0.000
496	A	533	THR	0	-0.012	-0.011	48.199	0.000	0.000	0.000	0.000	0.000	0.000
497	A	534	SER	0	-0.029	-0.026	49.931	-0.001	-0.001	0.000	0.000	0.000	0.000
498	A	535	SER	0	0.073	0.035	48.513	0.001	0.001	0.000	0.000	0.000	0.000
499	A	536	ALA	0	-0.019	-0.014	50.026	0.001	0.001	0.000	0.000	0.000	0.000
500	A	537	THR	0	-0.068	-0.044	48.718	0.000	0.000	0.000	0.000	0.000	0.000
501	A	538	ARG	1	0.837	0.904	48.668	-0.013	-0.013	0.000	0.000	0.000	0.000
502	A	539	SER	0	0.037	0.000	47.888	0.002	0.002	0.000	0.000	0.000	0.000
503	A	540	ARG	1	0.800	0.883	43.829	0.007	0.007	0.000	0.000	0.000	0.000
504	A	541	GLY	0	0.042	0.029	48.414	0.000	0.000	0.000	0.000	0.000	0.000
505	A	542	VAL	0	-0.029	0.008	50.838	0.000	0.000	0.000	0.000	0.000	0.000
506	A	543	TYR	0	-0.014	-0.047	53.407	0.000	0.000	0.000	0.000	0.000	0.000
507	A	544	THR	0	0.047	0.024	56.343	0.000	0.000	0.000	0.000	0.000	0.000
508	A	545	HIS	1	0.803	0.887	57.007	-0.011	-0.011	0.000	0.000	0.000	0.000
509	A	546	PRO	0	0.060	0.036	61.336	0.001	0.001	0.000	0.000	0.000	0.000
510	A	547	TYR	0	-0.035	-0.025	62.350	-0.001	-0.001	0.000	0.000	0.000	0.000
511	A	548	GLN	0	-0.039	-0.009	63.277	0.000	0.000	0.000	0.000	0.000	0.000
512	A	549	TYR	0	0.024	0.031	60.013	-0.001	-0.001	0.000	0.000	0.000	0.000
513	A	550	ASN	0	-0.024	-0.017	58.958	0.000	0.000	0.000	0.000	0.000	0.000
514	A	551	GLN	0	0.059	0.020	57.515	0.000	0.000	0.000	0.000	0.000	0.000
515	A	552	SER	0	-0.003	-0.010	54.330	0.000	0.000	0.000	0.000	0.000	0.000
516	A	553	THR	0	-0.035	-0.010	55.337	0.001	0.001	0.000	0.000	0.000	0.000
517	A	554	LYS	1	0.890	0.960	52.018	-0.030	-0.030	0.000	0.000	0.000	0.000
518	A	555	TYR	0	-0.038	-0.054	54.617	-0.001	-0.001	0.000	0.000	0.000	0.000
519	A	556	ALA	0	0.021	-0.003	54.481	0.001	0.001	0.000	0.000	0.000	0.000
520	A	557	ASP	-1	-0.842	-0.918	53.383	0.012	0.012	0.000	0.000	0.000	0.000
521	A	558	LEU	0	-0.005	0.002	48.700	0.000	0.000	0.000	0.000	0.000	0.000
522	A	559	GLN	0	-0.006	0.047	47.874	0.000	0.000	0.000	0.000	0.000	0.000
523	A	560	GLN	0	0.025	0.026	50.452	0.003	0.003	0.000	0.000	0.000	0.000
524	A	561	SER	0	-0.027	-0.028	52.180	-0.002	-0.002	0.000	0.000	0.000	0.000
525	A	562	SER	0	0.034	0.005	51.846	0.001	0.001	0.000	0.000	0.000	0.000
526	A	563	TYR	0	-0.086	-0.047	54.166	-0.001	-0.001	0.000	0.000	0.000	0.000
527	A	564	ASP	-1	-0.797	-0.910	54.310	0.009	0.009	0.000	0.000	0.000	0.000
528	A	565	ASN	0	0.002	-0.002	56.197	0.001	0.001	0.000	0.000	0.000	0.000
529	A	566	ASP	-1	-0.691	-0.797	54.148	0.014	0.014	0.000	0.000	0.000	0.000
530	A	567	TYR	0	-0.004	0.014	53.397	-0.001	-0.001	0.000	0.000	0.000	0.000
531	A	568	VAL	0	0.034	0.041	50.422	0.001	0.001	0.000	0.000	0.000	0.000
532	A	569	GLY	0	0.001	-0.001	53.766	-0.001	-0.001	0.000	0.000	0.000	0.000
533	A	570	TRP	0	-0.002	0.002	49.102	-0.001	-0.001	0.000	0.000	0.000	0.000
534	A	571	GLY	0	0.039	0.019	53.796	0.000	0.000	0.000	0.000	0.000	0.000
535	A	572	ARG	1	0.743	0.857	54.427	-0.019	-0.019	0.000	0.000	0.000	0.000
536	A	573	THR	0	0.061	0.040	54.618	0.001	0.001	0.000	0.000	0.000	0.000
537	A	574	ALA	0	0.008	-0.004	53.170	0.001	0.001	0.000	0.000	0.000	0.000
538	A	575	GLU	-1	-0.764	-0.844	54.601	0.004	0.004	0.000	0.000	0.000	0.000
539	A	576	ASP	-1	-0.807	-0.887	58.095	0.014	0.014	0.000	0.000	0.000	0.000
540	A	577	ALA	0	0.021	-0.004	53.986	0.000	0.000	0.000	0.000	0.000	0.000
541	A	578	TRP	0	-0.036	-0.007	54.668	0.000	0.000	0.000	0.000	0.000	0.000
542	A	579	LYS	1	0.835	0.903	56.338	-0.006	-0.006	0.000	0.000	0.000	0.000
543	A	580	TYR	0	-0.049	-0.036	58.401	0.000	0.000	0.000	0.000	0.000	0.000
544	A	581	ASP	-1	-0.793	-0.892	53.913	0.010	0.010	0.000	0.000	0.000	0.000
545	A	582	ARG	1	0.753	0.851	57.265	-0.004	-0.004	0.000	0.000	0.000	0.000
546	A	583	ASP	-1	-0.784	-0.869	59.117	0.004	0.004	0.000	0.000	0.000	0.000
547	A	584	LEU	0	-0.050	-0.025	59.950	0.000	0.000	0.000	0.000	0.000	0.000
548	A	585	LYS	1	0.780	0.890	58.239	-0.004	-0.004	0.000	0.000	0.000	0.000
549	A	586	HIS	0	-0.003	-0.019	58.083	-0.001	-0.001	0.000	0.000	0.000	0.000
550	A	587	ILE	0	-0.070	-0.002	54.701	0.002	0.002	0.000	0.000	0.000	0.000
551	A	588	ALA	0	0.031	0.011	51.035	-0.002	-0.002	0.000	0.000	0.000	0.000
552	A	589	GLY	0	0.003	0.014	51.106	-0.002	-0.002	0.000	0.000	0.000	0.000
553	A	590	GLN	0	-0.061	-0.034	50.149	0.003	0.003	0.000	0.000	0.000	0.000
554	A	591	PHE	0	-0.004	-0.004	43.420	-0.002	-0.002	0.000	0.000	0.000	0.000
555	A	592	ILE	0	0.003	0.024	46.434	0.003	0.003	0.000	0.000	0.000	0.000
556	A	593	TRP	0	0.007	0.003	41.801	0.001	0.001	0.000	0.000	0.000	0.000
557	A	594	THR	0	-0.023	-0.037	41.928	0.000	0.000	0.000	0.000	0.000	0.000
558	A	595	GLY	0	0.024	0.003	42.286	-0.003	-0.003	0.000	0.000	0.000	0.000
559	A	596	PHE	0	0.003	-0.012	37.894	-0.004	-0.004	0.000	0.000	0.000	0.000
560	A	597	ASP	-1	-0.765	-0.834	40.775	0.020	0.020	0.000	0.000	0.000	0.000
561	A	598	TYR	0	-0.029	-0.050	36.988	-0.003	-0.003	0.000	0.000	0.000	0.000
562	A	599	ILE	0	-0.024	-0.012	33.127	0.000	0.000	0.000	0.000	0.000	0.000
563	A	600	GLY	0	0.029	-0.001	37.036	0.005	0.005	0.000	0.000	0.000	0.000
564	A	601	GLU	-1	-0.804	-0.903	39.133	0.045	0.045	0.000	0.000	0.000	0.000
565	A	602	PRO	0	-0.025	0.025	42.238	-0.003	-0.003	0.000	0.000	0.000	0.000
566	A	603	THR	0	-0.043	-0.020	44.557	-0.001	-0.001	0.000	0.000	0.000	0.000
567	A	604	PRO	0	0.018	0.003	47.873	-0.002	-0.002	0.000	0.000	0.000	0.000
568	A	605	TYR	0	-0.055	-0.039	47.855	0.001	0.001	0.000	0.000	0.000	0.000
569	A	606	TYR	0	0.033	0.002	47.124	0.001	0.001	0.000	0.000	0.000	0.000
570	A	607	ASN	0	-0.037	-0.017	46.537	0.000	0.000	0.000	0.000	0.000	0.000
571	A	608	SER	0	-0.025	-0.013	47.162	-0.002	-0.002	0.000	0.000	0.000	0.000
572	A	609	TYR	0	-0.013	0.008	40.391	-0.005	-0.005	0.000	0.000	0.000	0.000
573	A	610	PRO	0	-0.029	-0.021	43.820	-0.001	-0.001	0.000	0.000	0.000	0.000
574	A	611	ALA	0	0.006	-0.014	43.311	-0.001	-0.001	0.000	0.000	0.000	0.000
575	A	612	LYS	1	0.832	0.924	38.065	-0.022	-0.022	0.000	0.000	0.000	0.000
576	A	613	SER	0	0.017	0.015	38.990	0.003	0.003	0.000	0.000	0.000	0.000
577	A	614	SER	0	-0.061	-0.021	40.792	-0.001	-0.001	0.000	0.000	0.000	0.000
578	A	615	TYR	0	-0.003	-0.024	43.087	-0.002	-0.002	0.000	0.000	0.000	0.000
579	A	616	PHE	0	0.044	0.009	44.023	-0.002	-0.002	0.000	0.000	0.000	0.000
580	A	617	GLY	0	-0.015	0.023	43.706	-0.002	-0.002	0.000	0.000	0.000	0.000
581	A	618	ALA	0	0.032	0.004	44.547	-0.001	-0.001	0.000	0.000	0.000	0.000
582	A	619	VAL	0	-0.040	-0.012	41.065	-0.003	-0.003	0.000	0.000	0.000	0.000
583	A	620	ASP	-1	-0.730	-0.860	41.309	-0.001	-0.001	0.000	0.000	0.000	0.000
584	A	621	THR	0	-0.018	-0.050	36.725	-0.001	-0.001	0.000	0.000	0.000	0.000
585	A	622	ALA	0	-0.007	0.015	36.529	-0.001	-0.001	0.000	0.000	0.000	0.000
586	A	623	GLY	0	-0.018	-0.013	37.600	-0.007	-0.007	0.000	0.000	0.000	0.000
587	A	624	PHE	0	-0.045	-0.027	39.213	-0.005	-0.005	0.000	0.000	0.000	0.000
588	A	625	PRO	0	0.009	0.008	42.747	0.004	0.004	0.000	0.000	0.000	0.000
589	A	626	LYS	1	0.774	0.868	45.196	-0.011	-0.011	0.000	0.000	0.000	0.000
590	A	627	ASP	-1	-0.778	-0.868	48.490	-0.008	-0.008	0.000	0.000	0.000	0.000
591	A	628	ILE	0	0.006	0.005	49.550	-0.001	-0.001	0.000	0.000	0.000	0.000
592	A	629	PHE	0	0.014	0.001	44.318	0.001	0.001	0.000	0.000	0.000	0.000
593	A	630	TYR	0	0.047	0.005	49.138	0.000	0.000	0.000	0.000	0.000	0.000
594	A	631	TYR	0	-0.042	-0.015	52.128	0.000	0.000	0.000	0.000	0.000	0.000
595	A	632	TYR	0	0.069	0.029	49.473	0.000	0.000	0.000	0.000	0.000	0.000
596	A	633	GLN	0	-0.019	-0.016	48.527	0.000	0.000	0.000	0.000	0.000	0.000
597	A	634	SER	0	-0.094	-0.061	52.003	0.000	0.000	0.000	0.000	0.000	0.000
598	A	635	GLN	0	0.006	0.014	54.629	0.001	0.001	0.000	0.000	0.000	0.000
599	A	636	TRP	0	-0.051	-0.030	48.032	0.000	0.000	0.000	0.000	0.000	0.000
600	A	637	LYS	1	0.832	0.940	47.452	0.021	0.021	0.000	0.000	0.000	0.000
601	A	638	LYS	1	0.852	0.913	52.795	0.011	0.011	0.000	0.000	0.000	0.000
602	A	639	GLU	-1	-0.781	-0.886	50.421	-0.021	-0.021	0.000	0.000	0.000	0.000
603	A	640	PRO	0	-0.022	0.002	54.807	0.001	0.001	0.000	0.000	0.000	0.000
604	A	641	MET	0	-0.028	0.021	53.634	-0.001	-0.001	0.000	0.000	0.000	0.000
605	A	642	VAL	0	0.000	-0.005	56.403	0.002	0.002	0.000	0.000	0.000	0.000
606	A	643	HIS	1	0.787	0.880	53.421	0.011	0.011	0.000	0.000	0.000	0.000
607	A	644	LEU	0	-0.012	-0.005	56.359	0.002	0.002	0.000	0.000	0.000	0.000
608	A	645	LEU	0	-0.029	0.014	55.859	0.000	0.000	0.000	0.000	0.000	0.000
609	A	646	PRO	0	-0.029	-0.005	57.026	0.001	0.001	0.000	0.000	0.000	0.000
610	A	647	HIS	0	0.094	0.035	54.972	-0.002	-0.002	0.000	0.000	0.000	0.000
611	A	648	TRP	0	0.041	0.000	57.359	0.002	0.002	0.000	0.000	0.000	0.000
612	A	649	ASN	0	0.013	0.008	58.106	-0.001	-0.001	0.000	0.000	0.000	0.000
613	A	650	TRP	0	-0.049	-0.020	59.183	0.002	0.002	0.000	0.000	0.000	0.000
614	A	651	LYS	1	0.846	0.901	63.164	0.001	0.001	0.000	0.000	0.000	0.000
615	A	652	GLU	-1	-0.803	-0.901	66.469	-0.008	-0.008	0.000	0.000	0.000	0.000
616	A	653	GLY	0	-0.017	0.000	69.544	0.001	0.001	0.000	0.000	0.000	0.000
617	A	654	GLU	-1	-0.805	-0.882	65.211	-0.001	-0.001	0.000	0.000	0.000	0.000
618	A	655	LYS	1	0.911	0.969	68.270	0.000	0.000	0.000	0.000	0.000	0.000
619	A	656	VAL	0	0.020	0.016	62.888	0.001	0.001	0.000	0.000	0.000	0.000
620	A	657	ARG	1	0.757	0.869	62.180	-0.002	-0.002	0.000	0.000	0.000	0.000
621	A	658	VAL	0	0.034	0.019	62.471	0.000	0.000	0.000	0.000	0.000	0.000
622	A	659	LEU	0	0.002	-0.008	59.963	0.000	0.000	0.000	0.000	0.000	0.000
623	A	660	ALA	0	0.011	-0.001	59.944	-0.001	-0.001	0.000	0.000	0.000	0.000
624	A	661	TYR	0	0.017	0.019	55.264	0.001	0.001	0.000	0.000	0.000	0.000
625	A	662	THR	0	0.000	-0.047	57.797	-0.002	-0.002	0.000	0.000	0.000	0.000
626	A	663	ASN	0	0.051	0.032	56.230	0.001	0.001	0.000	0.000	0.000	0.000
627	A	664	ALA	0	-0.010	0.010	59.645	0.000	0.000	0.000	0.000	0.000	0.000
628	A	665	SER	0	-0.052	-0.061	62.514	0.001	0.001	0.000	0.000	0.000	0.000
629	A	666	LYS	1	0.838	0.918	66.090	0.012	0.012	0.000	0.000	0.000	0.000
630	A	667	VAL	0	0.002	0.006	62.971	-0.001	-0.001	0.000	0.000	0.000	0.000
631	A	668	GLU	-1	-0.822	-0.854	66.170	-0.012	-0.012	0.000	0.000	0.000	0.000
632	A	669	LEU	0	0.003	0.013	64.350	-0.001	-0.001	0.000	0.000	0.000	0.000
633	A	670	VAL	0	0.003	0.001	66.458	0.000	0.000	0.000	0.000	0.000	0.000
634	A	671	LEU	0	0.023	0.007	66.397	0.000	0.000	0.000	0.000	0.000	0.000
635	A	672	ASN	0	-0.038	-0.035	67.041	-0.001	-0.001	0.000	0.000	0.000	0.000
636	A	673	GLY	0	0.003	0.010	68.582	-0.001	-0.001	0.000	0.000	0.000	0.000
637	A	674	GLU	-1	-0.948	-0.959	70.580	-0.011	-0.011	0.000	0.000	0.000	0.000
638	A	675	SER	0	-0.057	-0.063	71.225	0.000	0.000	0.000	0.000	0.000	0.000
639	A	676	LEU	0	-0.016	-0.019	68.418	0.001	0.001	0.000	0.000	0.000	0.000
640	A	677	GLY	0	0.023	0.017	71.925	0.001	0.001	0.000	0.000	0.000	0.000
641	A	678	GLU	-1	-0.787	-0.897	70.225	-0.011	-0.011	0.000	0.000	0.000	0.000
642	A	679	LYS	1	0.847	0.944	67.811	0.006	0.006	0.000	0.000	0.000	0.000
643	A	680	ASN	0	-0.015	-0.026	68.467	-0.001	-0.001	0.000	0.000	0.000	0.000
644	A	681	TYR	0	-0.051	-0.024	61.093	0.001	0.001	0.000	0.000	0.000	0.000
645	A	682	ASP	-1	-0.831	-0.926	68.000	-0.002	-0.002	0.000	0.000	0.000	0.000
646	A	683	ASN	0	-0.048	-0.051	67.473	0.000	0.000	0.000	0.000	0.000	0.000
647	A	684	LYS	1	0.767	0.871	66.973	0.000	0.000	0.000	0.000	0.000	0.000
648	A	685	GLN	0	0.006	-0.006	66.092	-0.001	-0.001	0.000	0.000	0.000	0.000
649	A	686	THR	0	0.023	0.027	62.095	0.001	0.001	0.000	0.000	0.000	0.000
650	A	687	SER	0	-0.007	-0.008	65.441	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	688	TRP	0	-0.015	-0.010	59.874	0.001	0.001	0.000	0.000	0.000	0.000
652	A	689	GLY	0	0.035	0.021	66.137	-0.001	-0.001	0.000	0.000	0.000	0.000
653	A	690	ALA	0	-0.049	-0.010	61.574	-0.001	-0.001	0.000	0.000	0.000	0.000
654	A	691	PRO	0	0.005	0.000	63.016	0.001	0.001	0.000	0.000	0.000	0.000
655	A	692	TYR	0	-0.069	-0.061	61.901	-0.001	-0.001	0.000	0.000	0.000	0.000
656	A	693	LYS	1	0.851	0.921	62.705	0.009	0.009	0.000	0.000	0.000	0.000
657	A	694	GLU	-1	-0.722	-0.850	63.179	0.003	0.003	0.000	0.000	0.000	0.000
658	A	695	THR	0	-0.011	-0.012	65.603	0.000	0.000	0.000	0.000	0.000	0.000
659	A	696	LYS	1	0.999	1.023	68.668	0.002	0.002	0.000	0.000	0.000	0.000
660	A	697	ASP	-1	-0.889	-0.906	69.943	0.001	0.001	0.000	0.000	0.000	0.000
661	A	698	GLY	0	0.010	0.007	67.590	0.001	0.001	0.000	0.000	0.000	0.000
662	A	699	LYS	1	0.840	0.934	64.446	-0.002	-0.002	0.000	0.000	0.000	0.000
663	A	700	THR	0	-0.003	-0.030	60.238	-0.001	-0.001	0.000	0.000	0.000	0.000
664	A	701	TYR	0	0.014	0.002	60.019	-0.001	-0.001	0.000	0.000	0.000	0.000
665	A	702	LEU	0	-0.001	0.007	61.861	0.001	0.001	0.000	0.000	0.000	0.000
666	A	703	GLU	-1	-0.760	-0.881	63.508	0.000	0.000	0.000	0.000	0.000	0.000
667	A	704	TRP	0	-0.071	-0.048	64.516	0.000	0.000	0.000	0.000	0.000	0.000
668	A	705	ALA	0	-0.009	-0.009	66.818	0.001	0.001	0.000	0.000	0.000	0.000
669	A	706	VAL	0	0.000	0.000	67.245	0.000	0.000	0.000	0.000	0.000	0.000
670	A	707	PRO	0	-0.012	-0.009	68.390	0.000	0.000	0.000	0.000	0.000	0.000
671	A	708	PHE	0	-0.012	0.004	63.488	-0.001	-0.001	0.000	0.000	0.000	0.000
672	A	709	LYS	1	0.879	0.910	67.609	0.008	0.008	0.000	0.000	0.000	0.000
673	A	710	PRO	0	0.013	0.020	65.162	0.000	0.000	0.000	0.000	0.000	0.000
674	A	711	GLY	0	0.029	0.026	64.051	0.000	0.000	0.000	0.000	0.000	0.000
675	A	712	LYS	1	0.844	0.914	62.228	0.020	0.020	0.000	0.000	0.000	0.000
676	A	713	LEU	0	0.019	0.021	62.292	0.001	0.001	0.000	0.000	0.000	0.000
677	A	714	GLU	-1	-0.826	-0.903	61.717	-0.021	-0.021	0.000	0.000	0.000	0.000
678	A	715	ALA	0	0.014	0.023	60.992	0.001	0.001	0.000	0.000	0.000	0.000
679	A	716	VAL	0	-0.020	-0.027	62.254	-0.002	-0.002	0.000	0.000	0.000	0.000
680	A	717	ALA	0	0.028	0.016	61.703	0.001	0.001	0.000	0.000	0.000	0.000
681	A	718	LYS	1	0.788	0.865	63.717	0.012	0.012	0.000	0.000	0.000	0.000
682	A	719	ASP	-1	-0.744	-0.880	65.945	-0.014	-0.014	0.000	0.000	0.000	0.000
683	A	720	GLU	-1	-0.791	-0.876	67.235	-0.010	-0.010	0.000	0.000	0.000	0.000
684	A	721	ASN	0	-0.104	-0.052	69.444	0.001	0.001	0.000	0.000	0.000	0.000
685	A	722	GLY	0	-0.034	-0.009	70.683	0.000	0.000	0.000	0.000	0.000	0.000
686	A	723	LYS	1	0.934	0.980	64.559	0.019	0.019	0.000	0.000	0.000	0.000
687	A	724	VAL	0	-0.024	-0.021	63.478	0.000	0.000	0.000	0.000	0.000	0.000
688	A	725	ILE	0	-0.077	-0.042	61.695	-0.001	-0.001	0.000	0.000	0.000	0.000
689	A	726	ALA	0	0.009	0.016	58.220	-0.001	-0.001	0.000	0.000	0.000	0.000
690	A	727	ARG	1	0.879	0.909	58.643	0.021	0.021	0.000	0.000	0.000	0.000
691	A	728	ASP	-1	-0.763	-0.850	55.758	-0.018	-0.018	0.000	0.000	0.000	0.000
692	A	729	GLN	0	-0.017	-0.018	57.131	0.001	0.001	0.000	0.000	0.000	0.000
693	A	730	VAL	0	0.007	0.023	56.844	-0.001	-0.001	0.000	0.000	0.000	0.000
694	A	731	VAL	0	-0.014	-0.018	57.873	0.000	0.000	0.000	0.000	0.000	0.000
695	A	732	THR	0	-0.035	-0.032	58.189	0.000	0.000	0.000	0.000	0.000	0.000
696	A	733	ALA	0	-0.051	0.000	55.445	-0.001	-0.001	0.000	0.000	0.000	0.000
697	A	734	GLY	0	0.006	-0.009	57.454	0.002	0.002	0.000	0.000	0.000	0.000
698	A	735	GLU	-1	-0.901	-0.966	56.782	-0.015	-0.015	0.000	0.000	0.000	0.000
699	A	736	PRO	0	-0.041	-0.022	51.691	-0.002	-0.002	0.000	0.000	0.000	0.000
700	A	737	ALA	0	-0.027	-0.010	52.393	0.000	0.000	0.000	0.000	0.000	0.000
701	A	738	SER	0	-0.055	-0.036	47.866	-0.001	-0.001	0.000	0.000	0.000	0.000
702	A	739	VAL	0	0.024	0.030	42.534	0.002	0.002	0.000	0.000	0.000	0.000
703	A	740	ARG	1	0.797	0.899	44.755	0.034	0.034	0.000	0.000	0.000	0.000
704	A	741	LEU	0	0.004	0.001	38.059	0.002	0.002	0.000	0.000	0.000	0.000
705	A	742	THR	0	-0.059	-0.046	40.202	-0.001	-0.001	0.000	0.000	0.000	0.000
706	A	743	ALA	0	-0.004	0.014	35.582	0.003	0.003	0.000	0.000	0.000	0.000
707	A	744	ASP	-1	-0.805	-0.892	34.287	-0.066	-0.066	0.000	0.000	0.000	0.000
708	A	745	ARG	1	0.791	0.869	29.266	0.100	0.100	0.000	0.000	0.000	0.000
709	A	746	LYS	1	1.006	0.997	34.358	0.077	0.077	0.000	0.000	0.000	0.000
710	A	747	VAL	0	-0.028	-0.018	31.183	-0.006	-0.006	0.000	0.000	0.000	0.000
711	A	748	VAL	0	-0.008	0.006	27.450	0.009	0.009	0.000	0.000	0.000	0.000
712	A	749	LYS	1	0.968	0.980	24.469	0.142	0.142	0.000	0.000	0.000	0.000
713	A	750	ALA	0	-0.021	-0.019	22.967	0.010	0.010	0.000	0.000	0.000	0.000
714	A	751	ASP	-1	-0.805	-0.912	19.960	-0.236	-0.236	0.000	0.000	0.000	0.000
715	A	752	GLY	0	-0.042	-0.008	18.779	-0.026	-0.026	0.000	0.000	0.000	0.000
716	A	753	THR	0	-0.074	-0.030	19.233	0.035	0.035	0.000	0.000	0.000	0.000
717	A	754	ASP	-1	-0.738	-0.840	21.784	-0.092	-0.092	0.000	0.000	0.000	0.000
718	A	755	LEU	0	-0.003	0.005	25.372	-0.003	-0.003	0.000	0.000	0.000	0.000
719	A	756	SER	0	-0.018	0.000	28.163	0.003	0.003	0.000	0.000	0.000	0.000
720	A	757	PHE	0	0.008	-0.017	30.954	0.005	0.005	0.000	0.000	0.000	0.000
721	A	758	ILE	0	-0.007	-0.006	33.493	0.000	0.000	0.000	0.000	0.000	0.000
722	A	759	THR	0	0.013	0.005	36.089	0.008	0.008	0.000	0.000	0.000	0.000
723	A	760	ALA	0	-0.009	-0.011	39.488	-0.005	-0.005	0.000	0.000	0.000	0.000
724	A	761	ASP	-1	-0.788	-0.867	41.543	-0.027	-0.027	0.000	0.000	0.000	0.000
725	A	762	ILE	0	0.003	-0.001	45.360	-0.002	-0.002	0.000	0.000	0.000	0.000
726	A	763	VAL	0	-0.016	-0.007	47.898	0.001	0.001	0.000	0.000	0.000	0.000
727	A	764	ASP	-1	-0.635	-0.807	50.657	-0.025	-0.025	0.000	0.000	0.000	0.000
728	A	765	SER	0	-0.017	-0.012	53.473	-0.002	-0.002	0.000	0.000	0.000	0.000
729	A	766	LYS	1	0.802	0.887	55.483	0.027	0.027	0.000	0.000	0.000	0.000
730	A	767	GLY	0	0.016	0.031	51.647	-0.001	-0.001	0.000	0.000	0.000	0.000
731	A	768	ILE	0	-0.005	-0.002	51.717	-0.001	-0.001	0.000	0.000	0.000	0.000
732	A	769	VAL	0	-0.019	-0.011	48.763	0.000	0.000	0.000	0.000	0.000	0.000
733	A	770	VAL	0	0.035	0.007	51.219	0.002	0.002	0.000	0.000	0.000	0.000
734	A	771	PRO	0	-0.026	-0.011	51.400	0.001	0.001	0.000	0.000	0.000	0.000
735	A	772	ASP	-1	-0.911	-0.965	52.028	-0.008	-0.008	0.000	0.000	0.000	0.000
736	A	773	ALA	0	-0.020	0.004	49.913	0.001	0.001	0.000	0.000	0.000	0.000
737	A	774	ASP	-1	-0.838	-0.918	47.272	-0.004	-0.004	0.000	0.000	0.000	0.000
738	A	775	HIS	0	0.077	0.034	46.598	0.002	0.002	0.000	0.000	0.000	0.000
739	A	776	LEU	0	-0.021	-0.008	40.612	0.000	0.000	0.000	0.000	0.000	0.000
740	A	777	ILE	0	0.011	0.012	39.558	-0.003	-0.003	0.000	0.000	0.000	0.000
741	A	778	THR	0	-0.026	-0.020	37.206	0.004	0.004	0.000	0.000	0.000	0.000
742	A	779	PHE	0	0.001	-0.005	34.659	-0.004	-0.004	0.000	0.000	0.000	0.000
743	A	780	ASN	0	-0.033	-0.013	33.118	0.003	0.003	0.000	0.000	0.000	0.000
744	A	781	VAL	0	0.009	0.006	28.627	0.000	0.000	0.000	0.000	0.000	0.000
745	A	782	THR	0	0.010	0.008	29.311	-0.003	-0.003	0.000	0.000	0.000	0.000
746	A	783	GLY	0	0.041	0.018	28.375	0.003	0.003	0.000	0.000	0.000	0.000
747	A	784	GLN	0	0.009	0.008	24.606	0.013	0.013	0.000	0.000	0.000	0.000
748	A	785	GLY	0	0.013	-0.012	24.340	-0.009	-0.009	0.000	0.000	0.000	0.000
749	A	786	GLU	-1	-0.881	-0.934	22.293	-0.121	-0.121	0.000	0.000	0.000	0.000
750	A	787	LEU	0	-0.056	-0.018	25.440	0.006	0.006	0.000	0.000	0.000	0.000
751	A	788	ALA	0	0.016	0.014	25.777	0.007	0.007	0.000	0.000	0.000	0.000
752	A	789	GLY	0	0.004	-0.008	26.722	0.017	0.017	0.000	0.000	0.000	0.000
753	A	790	VAL	0	-0.045	-0.007	30.058	-0.009	-0.009	0.000	0.000	0.000	0.000
754	A	791	ASP	-1	-0.739	-0.870	33.910	0.014	0.014	0.000	0.000	0.000	0.000
755	A	792	ASN	0	-0.070	-0.062	36.913	-0.002	-0.002	0.000	0.000	0.000	0.000
756	A	793	GLY	0	-0.001	0.011	39.833	-0.001	-0.001	0.000	0.000	0.000	0.000
757	A	794	ASN	0	0.023	0.024	41.373	0.004	0.004	0.000	0.000	0.000	0.000
758	A	795	ALA	0	0.058	0.027	42.326	0.002	0.002	0.000	0.000	0.000	0.000
759	A	796	SER	0	-0.035	-0.039	43.039	0.004	0.004	0.000	0.000	0.000	0.000
760	A	797	SER	0	-0.045	-0.040	41.715	0.001	0.001	0.000	0.000	0.000	0.000
761	A	798	VAL	0	0.008	-0.013	39.898	0.003	0.003	0.000	0.000	0.000	0.000
762	A	799	GLU	-1	-0.779	-0.847	38.461	0.005	0.005	0.000	0.000	0.000	0.000
763	A	800	ARG	1	0.808	0.886	29.454	-0.034	-0.034	0.000	0.000	0.000	0.000
764	A	801	TYR	0	0.046	0.028	31.875	-0.004	-0.004	0.000	0.000	0.000	0.000
765	A	802	LYS	1	0.806	0.913	26.097	-0.025	-0.025	0.000	0.000	0.000	0.000
766	A	803	ASP	-1	-0.781	-0.868	29.969	0.000	0.000	0.000	0.000	0.000	0.000
767	A	804	ASN	0	0.041	-0.004	31.839	0.001	0.001	0.000	0.000	0.000	0.000
768	A	805	LYS	1	0.807	0.887	33.202	0.008	0.008	0.000	0.000	0.000	0.000
769	A	806	ARG	1	0.796	0.900	36.265	0.000	0.000	0.000	0.000	0.000	0.000
770	A	807	LYS	1	0.818	0.887	39.067	-0.002	-0.002	0.000	0.000	0.000	0.000
771	A	808	ALA	0	-0.011	0.015	42.224	0.000	0.000	0.000	0.000	0.000	0.000
772	A	809	PHE	0	-0.006	-0.007	44.445	0.004	0.004	0.000	0.000	0.000	0.000
773	A	810	SER	0	0.008	0.000	46.079	-0.002	-0.002	0.000	0.000	0.000	0.000
774	A	811	GLY	0	0.057	0.041	48.458	-0.001	-0.001	0.000	0.000	0.000	0.000
775	A	812	LYS	1	0.794	0.891	43.484	0.023	0.023	0.000	0.000	0.000	0.000
776	A	813	ALA	0	0.022	0.002	39.981	0.004	0.004	0.000	0.000	0.000	0.000
777	A	814	LEU	0	-0.043	-0.013	34.910	-0.004	-0.004	0.000	0.000	0.000	0.000
778	A	815	ALA	0	0.034	0.021	33.407	0.004	0.004	0.000	0.000	0.000	0.000
779	A	816	ILE	0	-0.031	-0.010	29.154	-0.006	-0.006	0.000	0.000	0.000	0.000
780	A	817	VAL	0	0.003	-0.005	28.331	0.001	0.001	0.000	0.000	0.000	0.000
781	A	818	GLN	0	-0.028	-0.013	20.743	0.019	0.019	0.000	0.000	0.000	0.000
782	A	819	SER	0	-0.007	-0.004	23.504	-0.011	-0.011	0.000	0.000	0.000	0.000
783	A	820	SER	0	0.014	-0.008	20.601	-0.010	-0.010	0.000	0.000	0.000	0.000
784	A	821	LYS	1	0.857	0.891	12.795	0.605	0.605	0.000	0.000	0.000	0.000
785	A	822	LEU	0	0.003	0.016	19.172	-0.035	-0.035	0.000	0.000	0.000	0.000
786	A	823	SER	0	0.010	-0.019	21.967	0.030	0.030	0.000	0.000	0.000	0.000
787	A	824	GLY	0	-0.026	-0.010	25.125	-0.009	-0.009	0.000	0.000	0.000	0.000
788	A	825	LYS	1	0.816	0.908	28.297	0.145	0.145	0.000	0.000	0.000	0.000
789	A	826	ILE	0	0.037	0.061	27.098	0.002	0.002	0.000	0.000	0.000	0.000
790	A	827	THR	0	-0.003	0.003	30.361	0.004	0.004	0.000	0.000	0.000	0.000
791	A	828	VAL	0	-0.004	0.006	32.218	-0.002	-0.002	0.000	0.000	0.000	0.000
792	A	829	HIS	0	0.046	0.024	34.529	0.002	0.002	0.000	0.000	0.000	0.000
793	A	830	ALA	0	0.018	0.006	36.838	0.003	0.003	0.000	0.000	0.000	0.000
794	A	831	SER	0	-0.013	-0.003	39.537	0.000	0.000	0.000	0.000	0.000	0.000
795	A	832	VAL	0	0.065	0.020	42.195	0.003	0.003	0.000	0.000	0.000	0.000
796	A	833	ALA	0	-0.017	-0.005	44.995	-0.001	-0.001	0.000	0.000	0.000	0.000
797	A	834	GLY	0	0.012	0.006	47.338	0.002	0.002	0.000	0.000	0.000	0.000
798	A	835	LEU	0	-0.039	-0.001	48.173	0.000	0.000	0.000	0.000	0.000	0.000
799	A	836	SER	0	-0.027	-0.022	47.969	-0.002	-0.002	0.000	0.000	0.000	0.000
800	A	837	SER	0	-0.023	-0.026	42.846	0.001	0.001	0.000	0.000	0.000	0.000
801	A	838	ASP	-1	-0.797	-0.882	42.609	-0.056	-0.056	0.000	0.000	0.000	0.000
802	A	839	SER	0	-0.089	-0.072	38.822	-0.004	-0.004	0.000	0.000	0.000	0.000
803	A	840	THR	0	0.026	0.030	36.641	-0.001	-0.001	0.000	0.000	0.000	0.000
804	A	841	SER	0	-0.075	-0.072	34.296	-0.006	-0.006	0.000	0.000	0.000	0.000
805	A	842	VAL	0	-0.022	-0.001	31.146	0.006	0.006	0.000	0.000	0.000	0.000
806	A	843	PHE	0	0.003	-0.005	31.355	-0.008	-0.008	0.000	0.000	0.000	0.000
807	A	844	THR	0	-0.018	-0.013	25.712	0.009	0.009	0.000	0.000	0.000	0.000
808	A	845	VAL	0	0.039	0.011	27.196	-0.014	-0.014	0.000	0.000	0.000	0.000
809	A	846	THR	0	0.054	0.039	21.053	0.010	0.010	0.000	0.000	0.000	0.000
810	A	847	PRO	0	-0.006	0.015	21.754	0.013	0.013	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:38:SER)