FMO DATABASE

FMODB ID: JLYZ9

Calculation Name: 3SZE-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 3SZE

Chain ID: A

ChEMBL ID:

UniProt ID: Q7BSW5

Base Structure: X-ray

Registration Date: 2023-06-22

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	OptHSide
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	943
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-24404110.120384
FMO2-HF: Nuclear repulsion	24045665.929754
FMO2-HF: Total energy	-358444.190629
FMO2-MP2: Total energy	-359504.337702

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:56:SER)

Summations of interaction energy for fragment #1(A:56: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.
-42.486	-46.582	53.546	-23.869	-25.577	-0.073

Interaction energy analysis for fragmet #1(A:56:SER)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.035 / q_NPA : 0.007

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	58	MET	0	-0.014	0.007	2.637	0.285	2.094	0.207	-0.668	-1.348	0.001
4	A	59	ASP	-1	-0.806	-0.877	5.473	-0.351	-0.351	0.000	0.000	0.000	0.000
5	A	60	ILE	0	-0.014	0.000	8.744	0.165	0.165	0.000	0.000	0.000	0.000
6	A	61	SER	0	-0.066	-0.077	11.084	0.175	0.175	0.000	0.000	0.000	0.000
7	A	62	ASN	0	-0.007	-0.028	13.828	0.089	0.089	0.000	0.000	0.000	0.000
8	A	63	PHE	0	0.060	0.052	11.297	0.055	0.055	0.000	0.000	0.000	0.000
9	A	64	TYR	0	0.010	-0.005	12.348	-0.064	-0.064	0.000	0.000	0.000	0.000
10	A	65	ILE	0	-0.007	-0.011	6.723	-0.050	-0.050	0.000	0.000	0.000	0.000
11	A	66	ARG	1	0.955	0.978	8.514	0.029	0.029	0.000	0.000	0.000	0.000
12	A	67	ASP	-1	-0.751	-0.845	10.995	-0.087	-0.087	0.000	0.000	0.000	0.000
13	A	68	TYR	0	0.002	-0.024	5.821	-0.023	-0.023	0.000	0.000	0.000	0.000
14	A	69	MET	0	-0.028	-0.010	6.966	0.255	0.255	0.000	0.000	0.000	0.000
15	A	70	ASP	-1	-0.763	-0.870	8.658	0.317	0.317	0.000	0.000	0.000	0.000
16	A	71	PHE	0	-0.025	-0.008	9.411	-0.005	-0.005	0.000	0.000	0.000	0.000
17	A	72	ALA	0	-0.028	-0.010	7.936	-0.002	-0.002	0.000	0.000	0.000	0.000
18	A	73	GLN	0	-0.055	-0.045	8.864	-0.257	-0.257	0.000	0.000	0.000	0.000
19	A	74	ASN	0	-0.071	-0.025	12.362	-0.017	-0.017	0.000	0.000	0.000	0.000
20	A	75	LYS	1	0.900	0.971	13.640	-0.546	-0.546	0.000	0.000	0.000	0.000
21	A	76	GLY	0	0.033	0.004	15.956	-0.025	-0.025	0.000	0.000	0.000	0.000
22	A	77	ILE	0	0.018	0.005	16.597	0.001	0.001	0.000	0.000	0.000	0.000
23	A	78	PHE	0	-0.046	-0.011	13.380	-0.030	-0.030	0.000	0.000	0.000	0.000
24	A	79	GLN	0	0.030	0.018	16.782	0.056	0.056	0.000	0.000	0.000	0.000
25	A	80	ALA	0	0.034	0.008	19.367	-0.021	-0.021	0.000	0.000	0.000	0.000
26	A	81	GLY	0	-0.016	-0.008	20.184	-0.009	-0.009	0.000	0.000	0.000	0.000
27	A	82	ALA	0	-0.021	-0.003	20.849	-0.017	-0.017	0.000	0.000	0.000	0.000
28	A	83	THR	0	0.018	-0.004	21.439	-0.006	-0.006	0.000	0.000	0.000	0.000
29	A	84	ASN	0	-0.031	-0.024	23.472	-0.002	-0.002	0.000	0.000	0.000	0.000
30	A	85	ILE	0	0.025	0.031	17.425	-0.002	-0.002	0.000	0.000	0.000	0.000
31	A	86	GLU	-1	-0.821	-0.898	19.813	-0.120	-0.120	0.000	0.000	0.000	0.000
32	A	87	ILE	0	-0.022	-0.005	13.193	0.012	0.012	0.000	0.000	0.000	0.000
33	A	88	VAL	0	-0.002	0.006	17.304	-0.017	-0.017	0.000	0.000	0.000	0.000
34	A	89	LYS	1	0.802	0.896	16.942	0.244	0.244	0.000	0.000	0.000	0.000
35	A	90	LYS	1	0.764	0.861	13.517	0.474	0.474	0.000	0.000	0.000	0.000
36	A	91	ASP	-1	-0.814	-0.856	18.690	-0.214	-0.214	0.000	0.000	0.000	0.000
37	A	92	GLY	0	-0.007	0.004	21.309	0.017	0.017	0.000	0.000	0.000	0.000
38	A	93	SER	0	-0.095	-0.067	21.745	0.013	0.013	0.000	0.000	0.000	0.000
39	A	94	THR	0	0.009	-0.017	20.639	-0.011	-0.011	0.000	0.000	0.000	0.000
40	A	95	LEU	0	-0.047	-0.027	14.919	-0.011	-0.011	0.000	0.000	0.000	0.000
41	A	96	LYS	1	0.860	0.927	18.512	0.115	0.115	0.000	0.000	0.000	0.000
42	A	97	LEU	0	0.009	0.000	15.002	-0.028	-0.028	0.000	0.000	0.000	0.000
43	A	98	PRO	0	-0.038	-0.022	16.880	0.012	0.012	0.000	0.000	0.000	0.000
44	A	99	GLU	-1	-0.925	-0.942	19.806	-0.056	-0.056	0.000	0.000	0.000	0.000
45	A	100	VAL	0	-0.026	-0.022	19.250	0.003	0.003	0.000	0.000	0.000	0.000
46	A	101	PRO	0	-0.031	-0.001	21.189	0.001	0.001	0.000	0.000	0.000	0.000
47	A	102	PHE	0	0.026	0.018	13.082	-0.016	-0.016	0.000	0.000	0.000	0.000
48	A	103	PRO	0	-0.013	0.006	14.955	0.012	0.012	0.000	0.000	0.000	0.000
49	A	104	ASP	-1	-0.756	-0.857	16.847	0.282	0.282	0.000	0.000	0.000	0.000
50	A	105	PHE	0	-0.058	-0.033	11.952	-0.011	-0.011	0.000	0.000	0.000	0.000
51	A	106	SER	0	-0.039	-0.035	14.024	0.085	0.085	0.000	0.000	0.000	0.000
52	A	107	PRO	0	-0.010	0.000	16.083	0.024	0.024	0.000	0.000	0.000	0.000
53	A	108	VAL	0	-0.033	0.001	9.651	-0.009	-0.009	0.000	0.000	0.000	0.000
54	A	109	ALA	0	0.014	0.019	12.664	0.024	0.024	0.000	0.000	0.000	0.000
55	A	110	ASN	0	0.005	-0.013	11.218	0.179	0.179	0.000	0.000	0.000	0.000
56	A	111	LYN	0	0.040	0.046	9.579	0.172	0.172	0.000	0.000	0.000	0.000
57	A	112	GLY	0	0.006	-0.012	7.366	0.333	0.333	0.000	0.000	0.000	0.000
58	A	113	SER	0	-0.056	-0.029	8.423	-0.167	-0.167	0.000	0.000	0.000	0.000
59	A	114	THR	0	-0.004	0.013	9.514	-0.156	-0.156	0.000	0.000	0.000	0.000
60	A	115	THR	0	-0.009	-0.005	12.528	0.073	0.073	0.000	0.000	0.000	0.000
61	A	116	SER	0	0.042	0.032	14.768	-0.057	-0.057	0.000	0.000	0.000	0.000
62	A	117	ILE	0	-0.026	-0.017	18.374	-0.010	-0.010	0.000	0.000	0.000	0.000
63	A	118	GLY	0	0.054	0.033	20.993	-0.022	-0.022	0.000	0.000	0.000	0.000
64	A	119	GLY	0	0.029	0.005	23.722	-0.004	-0.004	0.000	0.000	0.000	0.000
65	A	120	ALA	0	0.012	0.020	24.367	0.016	0.016	0.000	0.000	0.000	0.000
66	A	121	TYR	0	0.008	0.002	23.034	-0.005	-0.005	0.000	0.000	0.000	0.000
67	A	122	SER	0	-0.015	-0.021	17.552	0.007	0.007	0.000	0.000	0.000	0.000
68	A	123	ILE	0	-0.002	0.011	15.943	-0.025	-0.025	0.000	0.000	0.000	0.000
69	A	124	THR	0	0.030	-0.022	13.026	0.036	0.036	0.000	0.000	0.000	0.000
70	A	125	ALA	0	-0.004	0.015	13.108	-0.040	-0.040	0.000	0.000	0.000	0.000
71	A	126	THR	0	-0.018	-0.019	14.974	0.031	0.031	0.000	0.000	0.000	0.000
72	A	127	HIS	1	0.820	0.880	12.299	-0.117	-0.117	0.000	0.000	0.000	0.000
73	A	128	ASN	0	-0.060	-0.025	11.321	0.005	0.005	0.000	0.000	0.000	0.000
74	A	129	THR	0	-0.026	-0.010	14.859	0.001	0.001	0.000	0.000	0.000	0.000
75	A	130	LYS	1	0.965	0.984	17.959	-0.105	-0.105	0.000	0.000	0.000	0.000
76	A	131	ASN	0	0.016	-0.016	20.438	0.007	0.007	0.000	0.000	0.000	0.000
77	A	132	HIS	0	0.017	0.048	11.720	0.001	0.001	0.000	0.000	0.000	0.000
78	A	133	HIS	1	0.879	0.910	11.782	-0.595	-0.595	0.000	0.000	0.000	0.000
79	A	134	SER	0	0.021	0.009	12.005	0.018	0.018	0.000	0.000	0.000	0.000
80	A	135	VAL	0	-0.034	0.000	13.955	0.007	0.007	0.000	0.000	0.000	0.000
81	A	136	ALA	0	0.037	0.015	16.517	-0.021	-0.021	0.000	0.000	0.000	0.000
82	A	137	THR	0	-0.030	-0.018	18.376	-0.039	-0.039	0.000	0.000	0.000	0.000
83	A	138	GLN	0	0.020	0.034	16.300	0.047	0.047	0.000	0.000	0.000	0.000
84	A	139	ASN	0	-0.005	-0.013	15.913	-0.029	-0.029	0.000	0.000	0.000	0.000
85	A	140	TRP	0	0.031	0.013	15.712	0.063	0.063	0.000	0.000	0.000	0.000
86	A	141	GLY	0	0.026	0.029	17.140	-0.047	-0.047	0.000	0.000	0.000	0.000
87	A	142	ASN	0	-0.051	-0.047	18.750	0.033	0.033	0.000	0.000	0.000	0.000
88	A	143	SER	0	-0.001	-0.012	20.963	-0.031	-0.031	0.000	0.000	0.000	0.000
89	A	144	THR	0	-0.051	-0.039	20.305	0.045	0.045	0.000	0.000	0.000	0.000
90	A	145	TYR	0	-0.046	-0.023	20.340	-0.031	-0.031	0.000	0.000	0.000	0.000
91	A	146	LYS	1	0.878	0.937	21.026	-0.219	-0.219	0.000	0.000	0.000	0.000
92	A	147	GLN	0	0.016	0.027	20.607	-0.011	-0.011	0.000	0.000	0.000	0.000
93	A	148	THR	0	-0.034	-0.022	23.040	-0.009	-0.009	0.000	0.000	0.000	0.000
94	A	149	ASP	-1	-0.897	-0.947	25.307	0.098	0.098	0.000	0.000	0.000	0.000
95	A	150	TRP	0	0.032	0.017	17.984	0.011	0.011	0.000	0.000	0.000	0.000
96	A	151	ASN	0	-0.041	-0.016	23.813	-0.012	-0.012	0.000	0.000	0.000	0.000
97	A	152	THR	0	0.007	0.006	21.368	0.007	0.007	0.000	0.000	0.000	0.000
98	A	153	SER	0	-0.015	-0.002	22.604	-0.006	-0.006	0.000	0.000	0.000	0.000
99	A	154	HIS	0	-0.011	0.015	22.064	0.000	0.000	0.000	0.000	0.000	0.000
100	A	155	PRO	0	-0.001	-0.005	19.024	-0.002	-0.002	0.000	0.000	0.000	0.000
101	A	156	ASP	-1	-0.763	-0.900	15.094	0.096	0.096	0.000	0.000	0.000	0.000
102	A	157	PHE	0	0.035	0.052	17.182	0.018	0.018	0.000	0.000	0.000	0.000
103	A	158	ALA	0	0.016	0.011	17.997	-0.003	-0.003	0.000	0.000	0.000	0.000
104	A	159	VAL	0	0.025	0.013	18.824	0.012	0.012	0.000	0.000	0.000	0.000
105	A	160	SER	0	-0.034	-0.042	19.554	-0.005	-0.005	0.000	0.000	0.000	0.000
106	A	161	ARG	1	0.761	0.853	21.684	-0.122	-0.122	0.000	0.000	0.000	0.000
107	A	162	LEU	0	-0.057	-0.034	20.174	0.005	0.005	0.000	0.000	0.000	0.000
108	A	163	ASP	-1	-0.827	-0.923	24.204	0.176	0.176	0.000	0.000	0.000	0.000
109	A	164	LYS	1	0.836	0.919	25.732	-0.157	-0.157	0.000	0.000	0.000	0.000
110	A	165	PHE	0	-0.038	-0.011	25.431	0.011	0.011	0.000	0.000	0.000	0.000
111	A	166	VAL	0	0.013	0.000	20.393	0.004	0.004	0.000	0.000	0.000	0.000
112	A	167	VAL	0	-0.011	-0.002	23.779	-0.010	-0.010	0.000	0.000	0.000	0.000
113	A	168	GLU	-1	-0.723	-0.820	20.066	0.250	0.250	0.000	0.000	0.000	0.000
114	A	169	THR	0	-0.019	-0.018	18.602	-0.001	-0.001	0.000	0.000	0.000	0.000
115	A	170	ARG	1	0.845	0.910	21.566	-0.159	-0.159	0.000	0.000	0.000	0.000
116	A	171	GLY	0	-0.032	-0.015	19.724	-0.010	-0.010	0.000	0.000	0.000	0.000
117	A	172	ALA	0	-0.014	-0.011	18.333	-0.017	-0.017	0.000	0.000	0.000	0.000
118	A	173	THR	0	-0.009	-0.016	20.225	-0.009	-0.009	0.000	0.000	0.000	0.000
119	A	174	GLU	-1	-0.831	-0.879	23.046	0.040	0.040	0.000	0.000	0.000	0.000
120	A	175	GLY	0	0.051	0.014	21.195	0.007	0.007	0.000	0.000	0.000	0.000
121	A	176	ALA	0	-0.049	-0.034	20.626	-0.005	-0.005	0.000	0.000	0.000	0.000
122	A	177	ASP	-1	-0.817	-0.888	22.480	-0.007	-0.007	0.000	0.000	0.000	0.000
123	A	178	ILE	0	-0.041	-0.046	21.351	-0.011	-0.011	0.000	0.000	0.000	0.000
124	A	179	SER	0	-0.112	-0.064	24.124	-0.006	-0.006	0.000	0.000	0.000	0.000
125	A	180	LEU	0	-0.003	0.019	26.143	-0.002	-0.002	0.000	0.000	0.000	0.000
126	A	181	SER	0	0.026	-0.002	26.481	-0.006	-0.006	0.000	0.000	0.000	0.000
127	A	182	LYN	0	0.039	0.037	22.328	0.003	0.003	0.000	0.000	0.000	0.000
128	A	183	GLN	0	0.026	0.019	25.674	-0.002	-0.002	0.000	0.000	0.000	0.000
129	A	184	GLN	0	0.052	0.033	28.258	-0.001	-0.001	0.000	0.000	0.000	0.000
130	A	185	ALA	0	0.033	0.027	23.263	0.003	0.003	0.000	0.000	0.000	0.000
131	A	186	LEU	0	-0.018	0.001	23.207	-0.001	-0.001	0.000	0.000	0.000	0.000
132	A	187	GLU	-1	-0.818	-0.889	24.994	-0.035	-0.035	0.000	0.000	0.000	0.000
133	A	188	ARG	1	0.808	0.882	26.028	0.026	0.026	0.000	0.000	0.000	0.000
134	A	189	TYR	0	0.029	-0.013	21.322	0.008	0.008	0.000	0.000	0.000	0.000
135	A	190	GLY	0	-0.033	0.002	21.738	-0.009	-0.009	0.000	0.000	0.000	0.000
136	A	191	VAL	0	0.005	0.004	19.336	0.015	0.015	0.000	0.000	0.000	0.000
137	A	192	ASN	0	-0.013	-0.023	22.328	-0.019	-0.019	0.000	0.000	0.000	0.000
138	A	193	TYR	0	-0.043	-0.072	16.983	0.000	0.000	0.000	0.000	0.000	0.000
139	A	194	LYS	1	0.779	0.854	18.845	0.277	0.277	0.000	0.000	0.000	0.000
140	A	195	GLY	0	0.012	0.013	23.643	0.002	0.002	0.000	0.000	0.000	0.000
141	A	196	GLU	-1	-0.869	-0.935	24.456	-0.106	-0.106	0.000	0.000	0.000	0.000
142	A	197	LYS	1	0.810	0.951	23.904	0.065	0.065	0.000	0.000	0.000	0.000
143	A	198	LYS	1	0.876	0.931	19.813	0.207	0.207	0.000	0.000	0.000	0.000
144	A	199	LEU	0	0.038	0.012	18.584	0.010	0.010	0.000	0.000	0.000	0.000
145	A	200	ILE	0	-0.040	-0.017	15.011	-0.030	-0.030	0.000	0.000	0.000	0.000
146	A	201	ALA	0	-0.003	0.008	13.590	0.042	0.042	0.000	0.000	0.000	0.000
147	A	202	PHE	0	0.026	0.012	12.221	-0.084	-0.084	0.000	0.000	0.000	0.000
148	A	203	ARG	1	0.835	0.908	3.209	1.049	1.337	0.003	-0.090	-0.201	0.000
149	A	204	ALA	0	0.048	0.009	7.042	-0.045	-0.045	0.000	0.000	0.000	0.000
150	A	205	GLY	0	-0.006	-0.010	4.836	-0.979	-0.979	0.000	0.000	0.000	0.000
151	A	206	SER	0	0.049	0.020	2.872	0.942	2.249	0.384	-0.692	-0.998	0.006
152	A	207	GLY	0	-0.018	0.019	2.149	-1.483	-1.031	1.442	-0.595	-1.299	0.003
153	A	208	VAL	0	-0.028	-0.037	2.536	0.652	1.921	2.049	-1.201	-2.117	-0.013
154	A	209	VAL	0	0.035	0.027	2.422	-2.911	-1.502	2.495	-1.640	-2.264	-0.014
155	A	210	SER	0	-0.068	-0.030	3.484	1.454	1.480	0.011	0.182	-0.219	0.000
156	A	211	VAL	0	0.021	0.012	5.323	-1.220	-1.220	0.000	0.000	0.000	0.000
157	A	212	LYS	1	0.880	0.945	8.024	1.479	1.479	0.000	0.000	0.000	0.000
158	A	213	LYS	1	0.872	0.914	10.459	0.384	0.384	0.000	0.000	0.000	0.000
159	A	214	ASN	0	0.005	-0.013	13.811	0.066	0.066	0.000	0.000	0.000	0.000
160	A	215	GLY	0	-0.003	0.000	14.586	0.068	0.068	0.000	0.000	0.000	0.000
161	A	216	ARG	1	0.901	0.949	14.522	0.321	0.321	0.000	0.000	0.000	0.000
162	A	217	ILE	0	0.021	0.016	9.418	-0.076	-0.076	0.000	0.000	0.000	0.000
163	A	218	THR	0	-0.002	0.003	10.826	0.151	0.151	0.000	0.000	0.000	0.000
164	A	219	PRO	0	-0.019	-0.007	8.300	-0.252	-0.252	0.000	0.000	0.000	0.000
165	A	220	PHE	0	0.028	0.001	7.402	0.168	0.168	0.000	0.000	0.000	0.000
166	A	221	ASN	0	0.019	-0.006	7.697	0.090	0.090	0.000	0.000	0.000	0.000
167	A	222	GLU	-1	-0.903	-0.938	9.445	0.263	0.263	0.000	0.000	0.000	0.000
168	A	223	VAL	0	-0.038	-0.018	6.317	0.127	0.127	0.000	0.000	0.000	0.000
169	A	224	SER	0	0.022	0.013	5.534	0.153	0.153	0.000	0.000	0.000	0.000
170	A	225	TYR	0	-0.028	-0.044	6.319	-0.400	-0.400	0.000	0.000	0.000	0.000
171	A	226	LYS	1	0.897	0.963	7.255	-1.129	-1.129	0.000	0.000	0.000	0.000
172	A	227	PRO	0	0.047	0.019	7.909	0.409	0.409	0.000	0.000	0.000	0.000
173	A	228	GLU	-1	-0.862	-0.936	9.716	0.936	0.936	0.000	0.000	0.000	0.000
174	A	229	MET	0	-0.028	0.002	5.197	-0.321	-0.321	0.000	0.000	0.000	0.000
175	A	230	LEU	0	-0.029	0.021	5.118	1.466	1.554	-0.001	-0.001	-0.086	0.000
176	A	231	ASN	0	0.004	-0.015	1.906	-9.556	-11.205	9.459	-3.551	-4.259	-0.001
177	A	232	GLY	0	0.024	-0.005	5.142	0.451	0.543	-0.001	-0.003	-0.087	0.000
178	A	233	SER	0	-0.038	-0.010	6.219	-0.356	-0.356	0.000	0.000	0.000	0.000
179	A	234	PHE	0	0.025	0.024	8.368	0.125	0.125	0.000	0.000	0.000	0.000
180	A	235	VAL	0	-0.016	-0.013	8.455	-0.109	-0.109	0.000	0.000	0.000	0.000
181	A	236	HIS	0	0.048	0.020	11.661	0.126	0.126	0.000	0.000	0.000	0.000
182	A	237	ILE	0	-0.015	-0.006	13.887	-0.043	-0.043	0.000	0.000	0.000	0.000
183	A	238	ASP	-1	-0.818	-0.886	15.653	-0.296	-0.296	0.000	0.000	0.000	0.000
184	A	239	ASP	-1	-0.842	-0.914	17.235	-0.095	-0.095	0.000	0.000	0.000	0.000
185	A	240	TRP	0	-0.024	-0.022	18.217	-0.012	-0.012	0.000	0.000	0.000	0.000
186	A	241	SER	0	-0.008	-0.065	20.606	0.015	0.015	0.000	0.000	0.000	0.000
187	A	242	GLY	0	0.031	0.035	21.941	0.012	0.012	0.000	0.000	0.000	0.000
188	A	243	TRP	0	-0.032	-0.026	20.293	0.003	0.003	0.000	0.000	0.000	0.000
189	A	244	LEU	0	-0.031	-0.013	16.456	0.012	0.012	0.000	0.000	0.000	0.000
190	A	245	ILE	0	0.016	0.021	14.882	-0.010	-0.010	0.000	0.000	0.000	0.000
191	A	246	LEU	0	-0.022	-0.004	13.944	-0.015	-0.015	0.000	0.000	0.000	0.000
192	A	247	THR	0	0.029	-0.001	9.685	0.029	0.029	0.000	0.000	0.000	0.000
193	A	248	ASN	0	-0.014	-0.006	10.983	-0.144	-0.144	0.000	0.000	0.000	0.000
194	A	249	ASN	0	-0.005	-0.031	5.330	0.430	0.430	0.000	0.000	0.000	0.000
195	A	250	GLN	0	-0.021	-0.018	8.724	-0.279	-0.279	0.000	0.000	0.000	0.000
196	A	251	PHE	0	-0.039	-0.008	10.900	0.091	0.091	0.000	0.000	0.000	0.000
197	A	252	ASP	-1	-0.782	-0.853	13.519	-0.269	-0.269	0.000	0.000	0.000	0.000
198	A	253	GLU	-1	-0.793	-0.849	14.282	-0.347	-0.347	0.000	0.000	0.000	0.000
199	A	254	PHE	0	0.009	0.019	9.665	-0.113	-0.113	0.000	0.000	0.000	0.000
200	A	255	ASN	0	-0.005	-0.016	8.960	-0.030	-0.030	0.000	0.000	0.000	0.000
201	A	256	ASN	0	-0.006	-0.028	2.507	-4.581	-3.519	2.083	-1.595	-1.550	-0.014
202	A	257	ILE	0	-0.035	0.003	4.067	-0.533	0.246	-0.001	-0.397	-0.381	-0.001
203	A	258	ALA	0	0.032	0.037	1.750	-2.725	-12.003	17.227	-5.167	-2.781	-0.042
204	A	259	SER	0	0.008	-0.020	1.934	-13.945	-16.522	12.254	-5.198	-4.479	0.039
205	A	260	GLN	0	0.023	-0.010	4.229	-2.025	-1.795	0.003	-0.081	-0.151	0.001
206	A	261	GLY	0	0.021	0.010	5.914	0.103	0.103	0.000	0.000	0.000	0.000
207	A	262	ASP	-1	-0.740	-0.871	2.056	-10.259	-9.670	5.933	-3.173	-3.350	-0.038
208	A	263	ALA	0	-0.046	-0.007	5.325	0.071	0.079	-0.001	0.001	-0.007	0.000
209	A	264	GLY	0	0.012	0.003	9.136	0.111	0.111	0.000	0.000	0.000	0.000
210	A	265	SER	0	-0.022	-0.008	7.209	-0.091	-0.091	0.000	0.000	0.000	0.000
211	A	266	ALA	0	0.022	0.007	9.389	-0.122	-0.122	0.000	0.000	0.000	0.000
212	A	267	LEU	0	-0.043	-0.007	10.649	-0.026	-0.026	0.000	0.000	0.000	0.000
213	A	268	PHE	0	0.025	0.000	12.173	0.035	0.035	0.000	0.000	0.000	0.000
214	A	269	VAL	0	0.033	0.009	15.303	-0.047	-0.047	0.000	0.000	0.000	0.000
215	A	270	TYR	0	0.088	0.041	18.169	0.023	0.023	0.000	0.000	0.000	0.000
216	A	271	ASP	-1	-0.833	-0.915	21.206	-0.015	-0.015	0.000	0.000	0.000	0.000
217	A	272	ASN	0	0.006	-0.018	24.648	0.009	0.009	0.000	0.000	0.000	0.000
218	A	273	GLN	0	-0.048	-0.016	27.487	0.007	0.007	0.000	0.000	0.000	0.000
219	A	274	LYS	1	0.872	0.913	26.768	-0.021	-0.021	0.000	0.000	0.000	0.000
220	A	275	LYS	1	0.811	0.921	26.710	0.010	0.010	0.000	0.000	0.000	0.000
221	A	276	LYS	1	0.889	0.929	23.906	-0.062	-0.062	0.000	0.000	0.000	0.000
222	A	277	TRP	0	-0.030	-0.005	16.979	-0.010	-0.010	0.000	0.000	0.000	0.000
223	A	278	VAL	0	-0.036	-0.007	20.047	0.018	0.018	0.000	0.000	0.000	0.000
224	A	279	VAL	0	-0.001	0.000	15.719	-0.012	-0.012	0.000	0.000	0.000	0.000
225	A	280	ALA	0	-0.005	0.000	16.231	-0.005	-0.005	0.000	0.000	0.000	0.000
226	A	281	GLY	0	0.026	-0.006	15.619	-0.005	-0.005	0.000	0.000	0.000	0.000
227	A	282	THR	0	-0.045	-0.007	12.700	-0.002	-0.002	0.000	0.000	0.000	0.000
228	A	283	VAL	0	-0.034	0.007	7.393	-0.007	-0.007	0.000	0.000	0.000	0.000
229	A	284	TRP	0	0.015	0.008	10.744	0.068	0.068	0.000	0.000	0.000	0.000
230	A	285	GLY	0	-0.020	-0.034	10.811	0.055	0.055	0.000	0.000	0.000	0.000
231	A	286	ILE	0	-0.050	-0.011	6.473	-0.067	-0.067	0.000	0.000	0.000	0.000
232	A	287	TYR	0	0.007	0.021	10.293	0.057	0.057	0.000	0.000	0.000	0.000
233	A	288	ASN	0	0.002	-0.004	10.291	-0.137	-0.137	0.000	0.000	0.000	0.000
234	A	289	TYR	0	-0.016	-0.023	13.482	0.055	0.055	0.000	0.000	0.000	0.000
235	A	290	ALA	0	0.027	0.014	16.473	-0.016	-0.016	0.000	0.000	0.000	0.000
236	A	291	ASN	0	-0.029	-0.042	18.516	-0.006	-0.006	0.000	0.000	0.000	0.000
237	A	292	GLY	0	0.057	0.034	14.419	-0.012	-0.012	0.000	0.000	0.000	0.000
238	A	293	LYS	1	0.887	0.959	13.085	0.167	0.167	0.000	0.000	0.000	0.000
239	A	294	ASN	0	-0.002	-0.025	8.057	-0.108	-0.108	0.000	0.000	0.000	0.000
240	A	295	HIS	0	0.003	0.006	11.003	-0.002	-0.002	0.000	0.000	0.000	0.000
241	A	296	ALA	0	0.006	0.024	7.472	0.047	0.047	0.000	0.000	0.000	0.000
242	A	297	ALA	0	0.020	0.001	9.523	0.028	0.028	0.000	0.000	0.000	0.000
243	A	298	TYR	0	0.011	-0.004	8.884	0.031	0.031	0.000	0.000	0.000	0.000
244	A	299	SER	0	0.024	0.003	13.985	0.006	0.006	0.000	0.000	0.000	0.000
245	A	300	LYS	1	0.835	0.920	16.806	0.071	0.071	0.000	0.000	0.000	0.000
246	A	301	TRP	0	0.016	0.005	19.122	0.016	0.016	0.000	0.000	0.000	0.000
247	A	302	ASN	0	0.028	0.025	20.395	-0.009	-0.009	0.000	0.000	0.000	0.000
248	A	303	GLN	0	0.031	-0.001	23.611	0.009	0.009	0.000	0.000	0.000	0.000
249	A	304	THR	0	0.025	0.008	26.068	0.006	0.006	0.000	0.000	0.000	0.000
250	A	305	THR	0	-0.006	-0.013	23.867	0.001	0.001	0.000	0.000	0.000	0.000
251	A	306	ILE	0	0.028	0.015	21.969	0.010	0.010	0.000	0.000	0.000	0.000
252	A	307	ASP	-1	-0.826	-0.903	25.813	0.064	0.064	0.000	0.000	0.000	0.000
253	A	308	ASN	0	-0.039	-0.022	29.481	-0.001	-0.001	0.000	0.000	0.000	0.000
254	A	309	LEU	0	-0.051	-0.012	25.587	0.000	0.000	0.000	0.000	0.000	0.000
255	A	310	LYS	1	1.002	0.993	25.548	-0.093	-0.093	0.000	0.000	0.000	0.000
256	A	311	ASN	0	-0.026	-0.007	29.650	-0.001	-0.001	0.000	0.000	0.000	0.000
257	A	312	LYS	1	0.866	0.959	29.267	-0.093	-0.093	0.000	0.000	0.000	0.000
258	A	313	TYR	0	-0.117	-0.081	28.973	-0.001	-0.001	0.000	0.000	0.000	0.000
259	A	314	SER	0	-0.020	-0.011	32.298	0.005	0.005	0.000	0.000	0.000	0.000
260	A	315	TYR	0	-0.085	-0.066	34.758	-0.003	-0.003	0.000	0.000	0.000	0.000
261	A	316	ASN	0	-0.009	-0.003	38.514	0.003	0.003	0.000	0.000	0.000	0.000
262	A	317	VAL	0	0.017	0.002	40.706	-0.002	-0.002	0.000	0.000	0.000	0.000
263	A	318	ASP	-1	-0.823	-0.900	43.596	0.040	0.040	0.000	0.000	0.000	0.000
264	A	319	MET	0	-0.024	-0.023	45.232	0.000	0.000	0.000	0.000	0.000	0.000
265	A	320	SER	0	-0.046	-0.033	48.505	-0.002	-0.002	0.000	0.000	0.000	0.000
266	A	321	GLY	0	-0.036	-0.007	50.343	-0.001	-0.001	0.000	0.000	0.000	0.000
267	A	322	ALA	0	-0.029	-0.003	51.256	-0.001	-0.001	0.000	0.000	0.000	0.000
268	A	323	GLN	0	-0.040	-0.041	52.309	0.002	0.002	0.000	0.000	0.000	0.000
269	A	324	VAL	0	-0.015	0.004	51.367	0.001	0.001	0.000	0.000	0.000	0.000
270	A	325	ALA	0	0.067	0.049	46.848	0.000	0.000	0.000	0.000	0.000	0.000
271	A	326	THR	0	-0.047	-0.020	48.574	0.001	0.001	0.000	0.000	0.000	0.000
272	A	327	ILE	0	-0.009	-0.008	43.077	0.000	0.000	0.000	0.000	0.000	0.000
273	A	328	GLU	-1	-0.828	-0.903	47.221	0.045	0.045	0.000	0.000	0.000	0.000
274	A	329	ASN	0	-0.041	-0.041	46.358	0.001	0.001	0.000	0.000	0.000	0.000
275	A	330	GLY	0	0.010	0.000	43.618	-0.001	-0.001	0.000	0.000	0.000	0.000
276	A	331	LYS	1	0.933	0.985	44.542	-0.047	-0.047	0.000	0.000	0.000	0.000
277	A	332	LEU	0	-0.022	0.005	44.678	0.001	0.001	0.000	0.000	0.000	0.000
278	A	333	THR	0	-0.020	-0.025	47.092	-0.002	-0.002	0.000	0.000	0.000	0.000
279	A	334	GLY	0	0.008	0.000	50.347	0.001	0.001	0.000	0.000	0.000	0.000
280	A	335	THR	0	-0.029	-0.023	47.428	0.000	0.000	0.000	0.000	0.000	0.000
281	A	336	GLY	0	0.020	0.013	49.460	-0.001	-0.001	0.000	0.000	0.000	0.000
282	A	337	SER	0	-0.056	-0.032	45.046	0.000	0.000	0.000	0.000	0.000	0.000
283	A	338	ASP	-1	-0.737	-0.834	46.139	0.044	0.044	0.000	0.000	0.000	0.000
284	A	339	THR	0	-0.015	-0.011	43.593	-0.001	-0.001	0.000	0.000	0.000	0.000
285	A	340	THR	0	-0.061	-0.048	46.696	0.000	0.000	0.000	0.000	0.000	0.000
286	A	341	ASP	-1	-0.892	-0.926	41.018	0.062	0.062	0.000	0.000	0.000	0.000
287	A	342	ILE	0	-0.129	-0.039	38.868	-0.001	-0.001	0.000	0.000	0.000	0.000
288	A	343	LYS	1	0.904	0.898	36.599	-0.084	-0.084	0.000	0.000	0.000	0.000
289	A	344	ASN	0	-0.096	-0.025	32.852	0.005	0.005	0.000	0.000	0.000	0.000
290	A	345	LYS	1	0.922	0.958	33.247	-0.068	-0.068	0.000	0.000	0.000	0.000
291	A	346	ASP	-1	-0.751	-0.842	31.058	0.108	0.108	0.000	0.000	0.000	0.000
292	A	347	LEU	0	-0.007	0.007	34.486	-0.005	-0.005	0.000	0.000	0.000	0.000
293	A	348	ILE	0	-0.025	-0.017	34.352	0.003	0.003	0.000	0.000	0.000	0.000
294	A	349	PHE	0	0.037	0.009	38.362	-0.004	-0.004	0.000	0.000	0.000	0.000
295	A	350	THR	0	-0.004	-0.006	41.190	0.001	0.001	0.000	0.000	0.000	0.000
296	A	351	GLY	0	0.002	-0.014	43.564	-0.001	-0.001	0.000	0.000	0.000	0.000
297	A	352	GLY	0	-0.028	-0.027	45.869	-0.002	-0.002	0.000	0.000	0.000	0.000
298	A	353	GLY	0	0.037	0.023	47.343	-0.001	-0.001	0.000	0.000	0.000	0.000
299	A	354	ASP	-1	-0.883	-0.925	47.947	0.046	0.046	0.000	0.000	0.000	0.000
300	A	355	ILE	0	0.028	0.007	43.179	0.000	0.000	0.000	0.000	0.000	0.000
301	A	356	LEU	0	-0.040	-0.025	47.378	0.000	0.000	0.000	0.000	0.000	0.000
302	A	357	LEU	0	-0.012	-0.002	43.470	0.000	0.000	0.000	0.000	0.000	0.000
303	A	358	LYS	1	0.819	0.879	47.905	-0.045	-0.045	0.000	0.000	0.000	0.000
304	A	359	SER	0	0.023	0.012	46.504	-0.002	-0.002	0.000	0.000	0.000	0.000
305	A	360	SER	0	0.003	0.002	43.615	0.000	0.000	0.000	0.000	0.000	0.000
306	A	361	PHE	0	-0.014	-0.001	40.235	-0.001	-0.001	0.000	0.000	0.000	0.000
307	A	362	ASP	-1	-0.751	-0.863	36.711	0.097	0.097	0.000	0.000	0.000	0.000
308	A	363	ASN	0	-0.015	-0.018	36.469	-0.006	-0.006	0.000	0.000	0.000	0.000
309	A	364	GLY	0	0.022	0.011	34.516	0.001	0.001	0.000	0.000	0.000	0.000
310	A	365	ALA	0	0.004	-0.006	29.449	0.004	0.004	0.000	0.000	0.000	0.000
311	A	366	GLY	0	-0.013	0.015	30.654	0.005	0.005	0.000	0.000	0.000	0.000
312	A	367	GLY	0	-0.001	-0.005	33.059	0.001	0.001	0.000	0.000	0.000	0.000
313	A	368	LEU	0	-0.024	-0.014	33.877	-0.006	-0.006	0.000	0.000	0.000	0.000
314	A	369	VAL	0	0.001	0.001	33.334	0.004	0.004	0.000	0.000	0.000	0.000
315	A	370	PHE	0	0.006	0.012	36.118	-0.005	-0.005	0.000	0.000	0.000	0.000
316	A	371	ASN	0	0.058	0.022	35.986	0.006	0.006	0.000	0.000	0.000	0.000
317	A	372	ASP	-1	-0.775	-0.855	38.508	0.044	0.044	0.000	0.000	0.000	0.000
318	A	373	LYS	1	1.008	1.010	41.430	-0.036	-0.036	0.000	0.000	0.000	0.000
319	A	374	LYS	1	0.815	0.923	42.886	-0.043	-0.043	0.000	0.000	0.000	0.000
320	A	375	THR	0	0.031	0.003	44.029	0.002	0.002	0.000	0.000	0.000	0.000
321	A	376	TYR	0	-0.043	-0.035	42.849	-0.002	-0.002	0.000	0.000	0.000	0.000
322	A	377	ARG	1	0.848	0.924	45.768	-0.044	-0.044	0.000	0.000	0.000	0.000
323	A	378	VAL	0	0.017	0.023	42.430	-0.001	-0.001	0.000	0.000	0.000	0.000
324	A	379	ASN	0	0.021	0.007	45.865	0.001	0.001	0.000	0.000	0.000	0.000
325	A	380	GLY	0	0.076	0.014	48.208	0.000	0.000	0.000	0.000	0.000	0.000
326	A	381	ASP	-1	-0.899	-0.922	48.863	0.050	0.050	0.000	0.000	0.000	0.000
327	A	382	ASP	-1	-0.842	-0.912	48.400	0.063	0.063	0.000	0.000	0.000	0.000
328	A	383	PHE	0	-0.037	-0.009	46.530	0.002	0.002	0.000	0.000	0.000	0.000
329	A	384	THR	0	-0.006	-0.013	41.552	0.001	0.001	0.000	0.000	0.000	0.000
330	A	385	PHE	0	-0.036	-0.014	35.813	-0.001	-0.001	0.000	0.000	0.000	0.000
331	A	386	LYS	1	0.847	0.915	33.836	-0.108	-0.108	0.000	0.000	0.000	0.000
332	A	387	GLY	0	0.042	0.018	33.832	-0.006	-0.006	0.000	0.000	0.000	0.000
333	A	388	ALA	0	-0.002	0.002	29.599	0.006	0.006	0.000	0.000	0.000	0.000
334	A	389	GLY	0	0.000	-0.001	30.003	0.010	0.010	0.000	0.000	0.000	0.000
335	A	390	VAL	0	-0.038	-0.033	32.564	-0.007	-0.007	0.000	0.000	0.000	0.000
336	A	391	ASP	-1	-0.801	-0.890	31.391	0.106	0.106	0.000	0.000	0.000	0.000
337	A	392	THR	0	-0.021	-0.015	33.325	-0.006	-0.006	0.000	0.000	0.000	0.000
338	A	393	ARG	1	0.862	0.933	31.346	-0.086	-0.086	0.000	0.000	0.000	0.000
339	A	394	ASN	0	-0.063	-0.029	35.510	-0.003	-0.003	0.000	0.000	0.000	0.000
340	A	395	GLY	0	0.040	0.013	37.465	-0.005	-0.005	0.000	0.000	0.000	0.000
341	A	396	SER	0	-0.062	-0.024	38.340	-0.001	-0.001	0.000	0.000	0.000	0.000
342	A	397	THR	0	-0.029	-0.017	40.155	0.003	0.003	0.000	0.000	0.000	0.000
343	A	398	VAL	0	-0.006	-0.004	39.786	-0.003	-0.003	0.000	0.000	0.000	0.000
344	A	399	GLU	-1	-0.842	-0.913	42.487	0.051	0.051	0.000	0.000	0.000	0.000
345	A	400	TRP	0	-0.022	-0.030	39.360	-0.001	-0.001	0.000	0.000	0.000	0.000
346	A	401	ASN	0	-0.011	-0.017	43.603	0.001	0.001	0.000	0.000	0.000	0.000
347	A	402	ILE	0	0.004	0.019	42.143	-0.002	-0.002	0.000	0.000	0.000	0.000
348	A	403	ARG	1	0.845	0.919	42.521	-0.067	-0.067	0.000	0.000	0.000	0.000
349	A	404	TYR	0	-0.013	-0.029	33.673	-0.002	-0.002	0.000	0.000	0.000	0.000
350	A	405	ASP	-1	-0.816	-0.897	36.889	0.097	0.097	0.000	0.000	0.000	0.000
351	A	406	ASN	0	0.044	0.008	37.470	0.002	0.002	0.000	0.000	0.000	0.000
352	A	407	LYS	1	0.828	0.915	36.263	-0.084	-0.084	0.000	0.000	0.000	0.000
353	A	408	ASP	-1	-0.814	-0.890	31.588	0.141	0.141	0.000	0.000	0.000	0.000
354	A	409	ASN	0	-0.003	-0.001	28.839	-0.014	-0.014	0.000	0.000	0.000	0.000
355	A	410	LEU	0	0.021	0.019	31.773	0.003	0.003	0.000	0.000	0.000	0.000
356	A	411	HIS	0	-0.020	-0.020	25.616	0.002	0.002	0.000	0.000	0.000	0.000
357	A	412	LYS	1	0.761	0.885	30.540	-0.104	-0.104	0.000	0.000	0.000	0.000
358	A	413	ILE	0	-0.007	-0.011	27.122	0.009	0.009	0.000	0.000	0.000	0.000
359	A	414	GLY	0	0.046	0.022	30.211	-0.008	-0.008	0.000	0.000	0.000	0.000
360	A	415	ASP	-1	-0.828	-0.938	32.162	0.072	0.072	0.000	0.000	0.000	0.000
361	A	416	GLY	0	-0.006	0.004	33.964	-0.004	-0.004	0.000	0.000	0.000	0.000
362	A	417	THR	0	-0.002	-0.004	36.570	0.005	0.005	0.000	0.000	0.000	0.000
363	A	418	LEU	0	-0.019	-0.014	36.127	-0.002	-0.002	0.000	0.000	0.000	0.000
364	A	419	ASP	-1	-0.834	-0.913	39.266	0.059	0.059	0.000	0.000	0.000	0.000
365	A	420	VAL	0	-0.026	-0.005	39.632	-0.001	-0.001	0.000	0.000	0.000	0.000
366	A	421	ARG	1	0.810	0.873	42.835	-0.055	-0.055	0.000	0.000	0.000	0.000
367	A	422	LYS	1	0.888	0.962	45.257	-0.062	-0.062	0.000	0.000	0.000	0.000
368	A	423	THR	0	-0.009	-0.004	44.257	0.003	0.003	0.000	0.000	0.000	0.000
369	A	424	GLN	0	-0.035	-0.038	39.933	0.002	0.002	0.000	0.000	0.000	0.000
370	A	425	ASN	0	-0.041	-0.015	41.543	0.002	0.002	0.000	0.000	0.000	0.000
371	A	426	THR	0	0.006	0.001	36.617	0.003	0.003	0.000	0.000	0.000	0.000
372	A	427	ASN	0	-0.014	0.004	32.524	-0.009	-0.009	0.000	0.000	0.000	0.000
373	A	428	LEU	0	0.007	0.019	32.839	0.000	0.000	0.000	0.000	0.000	0.000
374	A	429	LYS	1	0.788	0.901	25.128	-0.204	-0.204	0.000	0.000	0.000	0.000
375	A	430	THR	0	0.001	-0.022	29.637	-0.004	-0.004	0.000	0.000	0.000	0.000
376	A	431	GLY	0	0.046	0.025	26.980	0.008	0.008	0.000	0.000	0.000	0.000
377	A	432	GLU	-1	-0.843	-0.921	27.820	0.118	0.118	0.000	0.000	0.000	0.000
378	A	433	GLY	0	0.037	0.050	30.252	-0.003	-0.003	0.000	0.000	0.000	0.000
379	A	434	LEU	0	-0.050	-0.029	33.888	0.002	0.002	0.000	0.000	0.000	0.000
380	A	435	VAL	0	-0.011	-0.015	35.012	0.001	0.001	0.000	0.000	0.000	0.000
381	A	436	ILE	0	-0.011	0.006	37.755	0.000	0.000	0.000	0.000	0.000	0.000
382	A	437	LEU	0	-0.013	-0.021	38.243	0.001	0.001	0.000	0.000	0.000	0.000
383	A	438	GLY	0	0.047	0.021	42.173	-0.003	-0.003	0.000	0.000	0.000	0.000
384	A	439	ALA	0	-0.026	0.004	45.043	-0.003	-0.003	0.000	0.000	0.000	0.000
385	A	440	GLU	-1	-0.868	-0.917	45.354	0.056	0.056	0.000	0.000	0.000	0.000
386	A	441	LYS	1	0.891	0.937	41.930	-0.075	-0.075	0.000	0.000	0.000	0.000
387	A	442	THR	0	-0.034	-0.019	40.566	0.002	0.002	0.000	0.000	0.000	0.000
388	A	443	PHE	0	0.037	0.004	37.081	0.001	0.001	0.000	0.000	0.000	0.000
389	A	444	ASN	0	-0.037	-0.021	37.688	-0.006	-0.006	0.000	0.000	0.000	0.000
390	A	445	ASN	0	-0.026	-0.009	33.466	-0.002	-0.002	0.000	0.000	0.000	0.000
391	A	446	ILE	0	0.018	0.003	32.702	0.000	0.000	0.000	0.000	0.000	0.000
392	A	447	TYR	0	-0.072	-0.050	22.880	0.006	0.006	0.000	0.000	0.000	0.000
393	A	448	ILE	0	-0.002	0.004	29.067	-0.001	-0.001	0.000	0.000	0.000	0.000
394	A	449	THR	0	-0.025	-0.011	22.786	0.010	0.010	0.000	0.000	0.000	0.000
395	A	450	SER	0	0.003	0.001	23.175	-0.015	-0.015	0.000	0.000	0.000	0.000
396	A	451	GLY	0	0.059	0.037	24.172	-0.002	-0.002	0.000	0.000	0.000	0.000
397	A	452	ASP	-1	-0.878	-0.919	26.534	0.118	0.118	0.000	0.000	0.000	0.000
398	A	453	GLY	0	-0.032	0.000	29.053	-0.008	-0.008	0.000	0.000	0.000	0.000
399	A	454	THR	0	-0.043	-0.031	31.338	-0.002	-0.002	0.000	0.000	0.000	0.000
400	A	455	VAL	0	-0.002	-0.004	34.158	0.000	0.000	0.000	0.000	0.000	0.000
401	A	456	ARG	1	0.870	0.927	36.814	-0.062	-0.062	0.000	0.000	0.000	0.000
402	A	457	LEU	0	-0.010	0.007	40.536	0.001	0.001	0.000	0.000	0.000	0.000
403	A	458	ASN	0	-0.027	-0.029	43.141	-0.004	-0.004	0.000	0.000	0.000	0.000
404	A	459	ALA	0	0.012	0.017	46.195	-0.002	-0.002	0.000	0.000	0.000	0.000
405	A	460	GLU	-1	-0.882	-0.947	47.225	0.048	0.048	0.000	0.000	0.000	0.000
406	A	461	ASN	0	-0.057	-0.038	47.106	0.002	0.002	0.000	0.000	0.000	0.000
407	A	462	ALA	0	0.055	0.036	43.456	0.002	0.002	0.000	0.000	0.000	0.000
408	A	463	LEU	0	-0.040	-0.006	38.644	0.004	0.004	0.000	0.000	0.000	0.000
409	A	464	SER	0	-0.023	-0.028	38.656	-0.004	-0.004	0.000	0.000	0.000	0.000
410	A	465	GLY	0	0.039	0.022	41.578	-0.002	-0.002	0.000	0.000	0.000	0.000
411	A	466	GLY	0	-0.014	-0.015	39.495	0.005	0.005	0.000	0.000	0.000	0.000
412	A	467	GLU	-1	-0.828	-0.904	36.053	0.091	0.091	0.000	0.000	0.000	0.000
413	A	468	TYR	0	0.019	-0.035	33.851	0.001	0.001	0.000	0.000	0.000	0.000
414	A	469	ASN	0	-0.011	0.004	36.644	0.003	0.003	0.000	0.000	0.000	0.000
415	A	470	GLY	0	0.015	0.022	35.580	0.000	0.000	0.000	0.000	0.000	0.000
416	A	471	ILE	0	0.005	0.009	33.182	0.003	0.003	0.000	0.000	0.000	0.000
417	A	472	PHE	0	-0.030	-0.012	28.878	0.000	0.000	0.000	0.000	0.000	0.000
418	A	473	PHE	0	0.003	0.001	28.527	0.005	0.005	0.000	0.000	0.000	0.000
419	A	474	ALA	0	0.006	-0.015	23.239	0.006	0.006	0.000	0.000	0.000	0.000
420	A	475	LYS	1	0.993	0.994	17.151	-0.342	-0.342	0.000	0.000	0.000	0.000
421	A	476	ASN	0	-0.028	-0.033	21.494	0.018	0.018	0.000	0.000	0.000	0.000
422	A	477	GLY	0	-0.010	0.011	24.198	-0.017	-0.017	0.000	0.000	0.000	0.000
423	A	478	GLY	0	0.067	0.025	27.266	0.005	0.005	0.000	0.000	0.000	0.000
424	A	479	THR	0	-0.022	-0.002	30.295	-0.005	-0.005	0.000	0.000	0.000	0.000
425	A	480	LEU	0	-0.008	0.003	34.059	0.001	0.001	0.000	0.000	0.000	0.000
426	A	481	ASP	-1	-0.745	-0.861	36.694	0.055	0.055	0.000	0.000	0.000	0.000
427	A	482	LEU	0	0.040	-0.005	40.135	0.000	0.000	0.000	0.000	0.000	0.000
428	A	483	ASN	0	-0.044	-0.030	42.980	-0.004	-0.004	0.000	0.000	0.000	0.000
429	A	484	GLY	0	0.009	0.006	45.403	-0.001	-0.001	0.000	0.000	0.000	0.000
430	A	485	TYR	0	-0.061	-0.010	46.175	-0.002	-0.002	0.000	0.000	0.000	0.000
431	A	486	ASN	0	0.052	0.022	46.338	0.001	0.001	0.000	0.000	0.000	0.000
432	A	487	GLN	0	-0.009	-0.012	42.364	0.005	0.005	0.000	0.000	0.000	0.000
433	A	488	SER	0	0.007	0.010	44.307	-0.002	-0.002	0.000	0.000	0.000	0.000
434	A	489	PHE	0	0.034	0.040	37.300	0.002	0.002	0.000	0.000	0.000	0.000
435	A	490	ASN	0	-0.028	-0.008	39.823	-0.006	-0.006	0.000	0.000	0.000	0.000
436	A	491	LYS	1	0.816	0.887	34.567	-0.096	-0.096	0.000	0.000	0.000	0.000
437	A	492	ILE	0	0.061	0.044	33.365	0.002	0.002	0.000	0.000	0.000	0.000
438	A	493	ALA	0	-0.002	0.014	30.523	0.003	0.003	0.000	0.000	0.000	0.000
439	A	494	ALA	0	0.010	0.003	29.088	0.007	0.007	0.000	0.000	0.000	0.000
440	A	495	THR	0	-0.031	-0.008	23.443	0.002	0.002	0.000	0.000	0.000	0.000
441	A	496	ASP	-1	-0.781	-0.887	23.514	0.194	0.194	0.000	0.000	0.000	0.000
442	A	497	SER	0	0.071	0.024	26.077	-0.003	-0.003	0.000	0.000	0.000	0.000
443	A	498	GLY	0	0.004	0.012	26.846	-0.010	-0.010	0.000	0.000	0.000	0.000
444	A	499	ALA	0	-0.059	-0.018	27.995	-0.003	-0.003	0.000	0.000	0.000	0.000
445	A	500	VAL	0	-0.003	0.014	30.458	-0.008	-0.008	0.000	0.000	0.000	0.000
446	A	501	ILE	0	0.012	0.014	33.941	0.002	0.002	0.000	0.000	0.000	0.000
447	A	502	THR	0	0.009	-0.010	37.235	-0.005	-0.005	0.000	0.000	0.000	0.000
448	A	503	ASN	0	0.000	-0.004	40.004	0.002	0.002	0.000	0.000	0.000	0.000
449	A	504	THR	0	-0.057	-0.051	41.706	-0.003	-0.003	0.000	0.000	0.000	0.000
450	A	505	SER	0	0.008	0.029	44.465	-0.003	-0.003	0.000	0.000	0.000	0.000
451	A	506	THR	0	0.012	-0.001	47.876	0.000	0.000	0.000	0.000	0.000	0.000
452	A	507	LYS	1	0.871	0.946	50.998	-0.043	-0.043	0.000	0.000	0.000	0.000
453	A	508	LYS	1	0.843	0.915	49.597	-0.033	-0.033	0.000	0.000	0.000	0.000
454	A	509	SER	0	-0.021	-0.014	46.148	0.001	0.001	0.000	0.000	0.000	0.000
455	A	510	ILE	0	0.004	-0.006	47.382	0.000	0.000	0.000	0.000	0.000	0.000
456	A	511	LEU	0	0.011	0.008	39.769	0.002	0.002	0.000	0.000	0.000	0.000
457	A	512	SER	0	-0.013	-0.009	44.376	-0.002	-0.002	0.000	0.000	0.000	0.000
458	A	513	LEU	0	0.010	0.009	39.323	0.004	0.004	0.000	0.000	0.000	0.000
459	A	514	ASN	0	-0.009	-0.021	42.352	-0.003	-0.003	0.000	0.000	0.000	0.000
460	A	515	ASN	0	0.011	0.009	38.793	0.000	0.000	0.000	0.000	0.000	0.000
461	A	516	THR	0	0.009	-0.019	40.167	-0.004	-0.004	0.000	0.000	0.000	0.000
462	A	517	ALA	0	-0.027	-0.007	37.879	-0.003	-0.003	0.000	0.000	0.000	0.000
463	A	518	ASP	-1	-0.784	-0.850	36.192	0.057	0.057	0.000	0.000	0.000	0.000
464	A	519	TYR	0	-0.040	-0.046	32.963	0.003	0.003	0.000	0.000	0.000	0.000
465	A	520	ILE	0	-0.002	0.000	30.002	-0.005	-0.005	0.000	0.000	0.000	0.000
466	A	521	TYR	0	-0.023	-0.008	31.912	0.012	0.012	0.000	0.000	0.000	0.000
467	A	522	HIS	1	0.772	0.829	27.230	-0.125	-0.125	0.000	0.000	0.000	0.000
468	A	523	GLY	0	0.042	0.032	30.223	0.002	0.002	0.000	0.000	0.000	0.000
469	A	524	ASN	0	-0.050	-0.030	31.733	-0.012	-0.012	0.000	0.000	0.000	0.000
470	A	525	ILE	0	-0.021	0.006	34.685	0.003	0.003	0.000	0.000	0.000	0.000
471	A	526	ASN	0	0.049	0.012	36.033	-0.004	-0.004	0.000	0.000	0.000	0.000
472	A	527	GLY	0	0.025	0.019	39.904	0.001	0.001	0.000	0.000	0.000	0.000
473	A	528	ASN	0	-0.062	-0.044	42.979	-0.003	-0.003	0.000	0.000	0.000	0.000
474	A	529	LEU	0	-0.003	-0.007	41.453	0.001	0.001	0.000	0.000	0.000	0.000
475	A	530	ASP	-1	-0.744	-0.839	45.691	0.035	0.035	0.000	0.000	0.000	0.000
476	A	531	VAL	0	-0.028	-0.020	42.514	0.003	0.003	0.000	0.000	0.000	0.000
477	A	532	LEU	0	0.008	0.000	45.488	-0.003	-0.003	0.000	0.000	0.000	0.000
478	A	533	GLN	0	-0.043	-0.009	41.804	0.001	0.001	0.000	0.000	0.000	0.000
479	A	534	HIS	0	-0.002	-0.016	46.370	-0.002	-0.002	0.000	0.000	0.000	0.000
480	A	535	HIS	0	-0.013	0.004	44.514	0.001	0.001	0.000	0.000	0.000	0.000
481	A	536	GLU	-1	-0.878	-0.919	49.972	0.032	0.032	0.000	0.000	0.000	0.000
482	A	537	THR	0	-0.005	-0.032	51.894	-0.001	-0.001	0.000	0.000	0.000	0.000
483	A	538	LYS	1	0.856	0.937	48.803	-0.027	-0.027	0.000	0.000	0.000	0.000
484	A	539	LYS	1	0.832	0.913	47.409	-0.038	-0.038	0.000	0.000	0.000	0.000
485	A	540	GLU	-1	-0.821	-0.902	44.126	0.035	0.035	0.000	0.000	0.000	0.000
486	A	541	ASN	0	-0.077	-0.044	40.960	0.002	0.002	0.000	0.000	0.000	0.000
487	A	542	ARG	1	0.932	0.962	40.523	-0.043	-0.043	0.000	0.000	0.000	0.000
488	A	543	ARG	1	0.903	0.966	38.939	-0.041	-0.041	0.000	0.000	0.000	0.000
489	A	544	LEU	0	-0.012	0.003	37.215	0.005	0.005	0.000	0.000	0.000	0.000
490	A	545	ILE	0	-0.040	-0.027	33.965	-0.004	-0.004	0.000	0.000	0.000	0.000
491	A	546	LEU	0	0.002	0.011	34.879	0.007	0.007	0.000	0.000	0.000	0.000
492	A	547	ASP	-1	-0.775	-0.877	29.221	0.091	0.091	0.000	0.000	0.000	0.000
493	A	548	GLY	0	0.022	0.028	30.819	0.004	0.004	0.000	0.000	0.000	0.000
494	A	549	GLY	0	-0.021	-0.019	32.064	-0.005	-0.005	0.000	0.000	0.000	0.000
495	A	550	VAL	0	-0.067	-0.035	35.313	0.003	0.003	0.000	0.000	0.000	0.000
496	A	551	ASP	-1	-0.824	-0.888	38.732	0.037	0.037	0.000	0.000	0.000	0.000
497	A	552	THR	0	-0.010	-0.001	40.587	0.000	0.000	0.000	0.000	0.000	0.000
498	A	553	THR	0	-0.017	-0.012	44.073	-0.001	-0.001	0.000	0.000	0.000	0.000
499	A	554	ASN	0	-0.034	-0.021	46.881	-0.001	-0.001	0.000	0.000	0.000	0.000
500	A	555	ASP	-1	-0.760	-0.861	47.900	0.029	0.029	0.000	0.000	0.000	0.000
501	A	556	ILE	0	-0.012	-0.006	43.160	0.003	0.003	0.000	0.000	0.000	0.000
502	A	557	SER	0	0.001	0.019	47.214	-0.002	-0.002	0.000	0.000	0.000	0.000
503	A	558	LEU	0	-0.029	-0.017	44.814	0.003	0.003	0.000	0.000	0.000	0.000
504	A	559	ARG	1	0.877	0.925	48.791	-0.033	-0.033	0.000	0.000	0.000	0.000
505	A	560	ASN	0	-0.043	-0.020	50.056	0.000	0.000	0.000	0.000	0.000	0.000
506	A	561	THR	0	-0.005	-0.031	44.810	0.002	0.002	0.000	0.000	0.000	0.000
507	A	562	GLN	0	-0.044	-0.033	43.226	0.000	0.000	0.000	0.000	0.000	0.000
508	A	563	LEU	0	-0.010	0.004	40.359	0.003	0.003	0.000	0.000	0.000	0.000
509	A	564	SER	0	0.041	0.014	37.781	-0.004	-0.004	0.000	0.000	0.000	0.000
510	A	565	MET	0	-0.040	0.005	37.533	0.004	0.004	0.000	0.000	0.000	0.000
511	A	566	GLN	0	-0.022	-0.017	31.219	-0.008	-0.008	0.000	0.000	0.000	0.000
512	A	567	GLY	0	0.094	0.057	31.903	0.003	0.003	0.000	0.000	0.000	0.000
513	A	568	HIS	1	0.761	0.860	24.200	-0.114	-0.114	0.000	0.000	0.000	0.000
514	A	569	ALA	0	0.011	0.013	24.888	-0.005	-0.005	0.000	0.000	0.000	0.000
515	A	570	THR	0	-0.018	-0.029	20.400	0.009	0.009	0.000	0.000	0.000	0.000
516	A	571	GLU	-1	-0.866	-0.911	19.277	0.192	0.192	0.000	0.000	0.000	0.000
517	A	572	HIS	1	0.720	0.816	15.539	-0.110	-0.110	0.000	0.000	0.000	0.000
518	A	573	ALA	0	-0.019	-0.018	11.151	0.025	0.025	0.000	0.000	0.000	0.000
519	A	574	ILE	0	-0.047	-0.016	12.910	-0.089	-0.089	0.000	0.000	0.000	0.000
520	A	575	TYR	0	0.010	-0.019	9.202	0.143	0.143	0.000	0.000	0.000	0.000
521	A	576	ARG	1	0.797	0.880	10.799	-0.091	-0.091	0.000	0.000	0.000	0.000
522	A	577	ASP	-1	-0.784	-0.871	13.604	0.248	0.248	0.000	0.000	0.000	0.000
523	A	578	GLY	0	0.014	0.011	16.614	-0.009	-0.009	0.000	0.000	0.000	0.000
524	A	579	ALA	0	-0.022	-0.016	18.071	0.005	0.005	0.000	0.000	0.000	0.000
525	A	580	PHE	0	0.003	0.012	17.501	0.018	0.018	0.000	0.000	0.000	0.000
526	A	594	SER	0	0.028	0.003	17.684	-0.012	-0.012	0.000	0.000	0.000	0.000
527	A	595	ASP	-1	-0.810	-0.893	15.993	0.136	0.136	0.000	0.000	0.000	0.000
528	A	596	TYR	0	0.027	-0.019	10.013	-0.054	-0.054	0.000	0.000	0.000	0.000
529	A	597	VAL	0	0.010	0.014	12.354	-0.052	-0.052	0.000	0.000	0.000	0.000
530	A	598	ALA	0	0.036	0.031	13.737	-0.042	-0.042	0.000	0.000	0.000	0.000
531	A	599	GLY	0	0.016	0.013	13.991	-0.031	-0.031	0.000	0.000	0.000	0.000
532	A	600	MET	0	-0.024	-0.018	7.143	-0.032	-0.032	0.000	0.000	0.000	0.000
533	A	601	GLN	0	-0.021	-0.009	11.954	-0.052	-0.052	0.000	0.000	0.000	0.000
534	A	602	ASN	0	-0.067	-0.050	15.174	-0.018	-0.018	0.000	0.000	0.000	0.000
535	A	603	THR	0	-0.072	-0.028	12.065	-0.034	-0.034	0.000	0.000	0.000	0.000
536	A	604	GLU	-1	-0.761	-0.881	12.554	-0.431	-0.431	0.000	0.000	0.000	0.000
537	A	605	ALA	0	0.034	0.023	15.891	0.032	0.032	0.000	0.000	0.000	0.000
538	A	606	ASP	-1	-0.880	-0.927	18.113	-0.271	-0.271	0.000	0.000	0.000	0.000
539	A	607	ALA	0	0.043	0.021	17.703	0.014	0.014	0.000	0.000	0.000	0.000
540	A	608	VAL	0	0.026	0.022	18.187	0.020	0.020	0.000	0.000	0.000	0.000
541	A	609	LYS	1	0.892	0.938	20.801	0.138	0.138	0.000	0.000	0.000	0.000
542	A	610	GLN	0	-0.049	-0.007	23.145	0.002	0.002	0.000	0.000	0.000	0.000
543	A	611	ASN	0	-0.008	-0.010	21.037	-0.006	-0.006	0.000	0.000	0.000	0.000
544	A	612	GLY	0	0.019	0.034	24.223	0.010	0.010	0.000	0.000	0.000	0.000
545	A	613	ASN	0	-0.006	-0.022	20.180	0.008	0.008	0.000	0.000	0.000	0.000
546	A	614	ALA	0	0.057	0.010	20.586	-0.005	-0.005	0.000	0.000	0.000	0.000
547	A	615	TYR	0	0.050	0.024	20.226	0.003	0.003	0.000	0.000	0.000	0.000
548	A	616	LYS	1	0.773	0.883	15.095	0.159	0.159	0.000	0.000	0.000	0.000
549	A	617	THR	0	0.007	-0.002	14.594	0.018	0.018	0.000	0.000	0.000	0.000
550	A	618	ASN	0	0.053	0.034	16.142	0.019	0.019	0.000	0.000	0.000	0.000
551	A	619	ASN	0	-0.020	-0.019	14.418	0.047	0.047	0.000	0.000	0.000	0.000
552	A	620	ALA	0	0.003	0.013	16.342	0.025	0.025	0.000	0.000	0.000	0.000
553	A	621	VAL	0	-0.017	-0.004	17.785	-0.004	-0.004	0.000	0.000	0.000	0.000
554	A	622	SER	0	0.037	0.004	18.831	0.001	0.001	0.000	0.000	0.000	0.000
555	A	623	ASP	-1	-0.875	-0.923	21.675	0.035	0.035	0.000	0.000	0.000	0.000
556	A	624	LEU	0	0.029	0.028	24.151	-0.005	-0.005	0.000	0.000	0.000	0.000
557	A	625	SER	0	-0.065	-0.043	25.647	-0.008	-0.008	0.000	0.000	0.000	0.000
558	A	626	GLN	0	-0.057	-0.026	22.341	-0.005	-0.005	0.000	0.000	0.000	0.000
559	A	627	PRO	0	0.002	-0.009	23.517	0.004	0.004	0.000	0.000	0.000	0.000
560	A	628	ASP	-1	-0.846	-0.911	21.466	0.041	0.041	0.000	0.000	0.000	0.000
561	A	629	TRP	0	-0.023	-0.020	24.754	0.017	0.017	0.000	0.000	0.000	0.000
562	A	630	GLU	-1	-0.832	-0.898	24.137	0.095	0.095	0.000	0.000	0.000	0.000
563	A	631	THR	0	-0.041	-0.034	28.369	0.002	0.002	0.000	0.000	0.000	0.000
564	A	632	GLY	0	0.056	0.055	32.089	0.005	0.005	0.000	0.000	0.000	0.000
565	A	633	THR	0	-0.043	-0.030	33.961	-0.007	-0.007	0.000	0.000	0.000	0.000
566	A	634	PHE	0	-0.028	-0.020	34.946	0.004	0.004	0.000	0.000	0.000	0.000
567	A	635	ARG	1	0.884	0.934	39.654	-0.037	-0.037	0.000	0.000	0.000	0.000
568	A	636	PHE	0	-0.008	-0.008	42.578	0.003	0.003	0.000	0.000	0.000	0.000
569	A	637	GLY	0	0.007	0.005	45.510	-0.002	-0.002	0.000	0.000	0.000	0.000
570	A	638	THR	0	-0.031	-0.020	49.321	-0.002	-0.002	0.000	0.000	0.000	0.000
571	A	639	LEU	0	-0.055	-0.019	45.125	0.002	0.002	0.000	0.000	0.000	0.000
572	A	640	HIS	0	-0.021	-0.036	48.827	-0.002	-0.002	0.000	0.000	0.000	0.000
573	A	641	LEU	0	-0.029	-0.029	47.732	0.002	0.002	0.000	0.000	0.000	0.000
574	A	642	GLU	-1	-0.796	-0.882	51.406	0.026	0.026	0.000	0.000	0.000	0.000
575	A	643	ASN	0	-0.031	-0.021	52.361	0.001	0.001	0.000	0.000	0.000	0.000
576	A	644	SER	0	-0.028	-0.037	48.215	0.002	0.002	0.000	0.000	0.000	0.000
577	A	645	ASP	-1	-0.843	-0.887	45.769	0.027	0.027	0.000	0.000	0.000	0.000
578	A	646	PHE	0	0.024	0.008	42.313	0.003	0.003	0.000	0.000	0.000	0.000
579	A	647	SER	0	-0.026	-0.025	40.957	-0.003	-0.003	0.000	0.000	0.000	0.000
580	A	648	VAL	0	0.001	0.014	39.763	0.004	0.004	0.000	0.000	0.000	0.000
581	A	649	GLY	0	0.050	0.021	36.751	-0.003	-0.003	0.000	0.000	0.000	0.000
582	A	650	ARG	1	0.869	0.941	29.948	-0.023	-0.023	0.000	0.000	0.000	0.000
583	A	651	ASN	0	0.008	-0.002	31.923	0.005	0.005	0.000	0.000	0.000	0.000
584	A	652	ALA	0	0.060	0.034	33.891	0.005	0.005	0.000	0.000	0.000	0.000
585	A	653	ASN	0	-0.023	-0.018	36.621	-0.006	-0.006	0.000	0.000	0.000	0.000
586	A	654	VAL	0	-0.012	-0.004	38.983	0.003	0.003	0.000	0.000	0.000	0.000
587	A	655	ILE	0	-0.026	-0.023	41.599	-0.003	-0.003	0.000	0.000	0.000	0.000
588	A	656	GLY	0	0.062	0.026	44.417	0.002	0.002	0.000	0.000	0.000	0.000
589	A	657	ASP	-1	-0.822	-0.877	47.451	0.018	0.018	0.000	0.000	0.000	0.000
590	A	658	ILE	0	-0.026	-0.018	47.258	0.002	0.002	0.000	0.000	0.000	0.000
591	A	659	GLN	0	-0.007	0.002	51.006	-0.002	-0.002	0.000	0.000	0.000	0.000
592	A	660	ALA	0	-0.010	-0.008	52.319	0.002	0.002	0.000	0.000	0.000	0.000
593	A	661	SER	0	0.033	-0.001	54.041	-0.001	-0.001	0.000	0.000	0.000	0.000
594	A	662	LYS	1	0.816	0.903	55.212	-0.018	-0.018	0.000	0.000	0.000	0.000
595	A	663	SER	0	-0.012	-0.018	51.176	0.002	0.002	0.000	0.000	0.000	0.000
596	A	664	ASN	0	-0.036	-0.009	49.088	-0.003	-0.003	0.000	0.000	0.000	0.000
597	A	665	ILE	0	0.021	0.011	47.263	0.002	0.002	0.000	0.000	0.000	0.000
598	A	666	THR	0	-0.021	-0.010	43.409	-0.003	-0.003	0.000	0.000	0.000	0.000
599	A	667	ILE	0	0.009	-0.002	43.397	0.003	0.003	0.000	0.000	0.000	0.000
600	A	668	GLY	0	0.064	0.017	40.555	-0.003	-0.003	0.000	0.000	0.000	0.000
601	A	669	ASP	-1	-0.876	-0.928	39.419	0.027	0.027	0.000	0.000	0.000	0.000
602	A	670	THR	0	0.009	-0.003	37.722	0.001	0.001	0.000	0.000	0.000	0.000
603	A	671	THR	0	-0.070	-0.016	36.083	0.000	0.000	0.000	0.000	0.000	0.000
604	A	672	ALA	0	-0.011	0.006	32.071	0.001	0.001	0.000	0.000	0.000	0.000
605	A	673	TYR	0	-0.018	-0.039	31.715	0.001	0.001	0.000	0.000	0.000	0.000
606	A	674	ILE	0	0.033	0.026	24.814	0.003	0.003	0.000	0.000	0.000	0.000
607	A	675	ASP	-1	-0.707	-0.834	26.309	0.140	0.140	0.000	0.000	0.000	0.000
608	A	676	LEU	0	0.007	0.000	22.353	0.012	0.012	0.000	0.000	0.000	0.000
609	A	677	HIS	0	-0.057	-0.049	21.664	0.039	0.039	0.000	0.000	0.000	0.000
610	A	678	ALA	0	0.039	0.036	22.797	0.010	0.010	0.000	0.000	0.000	0.000
611	A	679	GLY	0	0.066	0.042	20.723	0.020	0.020	0.000	0.000	0.000	0.000
612	A	680	LYS	1	0.703	0.860	17.926	-0.238	-0.238	0.000	0.000	0.000	0.000
613	A	681	ASN	0	0.019	-0.038	21.026	0.000	0.000	0.000	0.000	0.000	0.000
614	A	682	ILE	0	0.004	0.026	23.912	-0.012	-0.012	0.000	0.000	0.000	0.000
615	A	683	THR	0	-0.008	0.007	23.211	0.025	0.025	0.000	0.000	0.000	0.000
616	A	684	GLY	0	0.004	-0.014	24.133	-0.010	-0.010	0.000	0.000	0.000	0.000
617	A	685	ASP	-1	-0.825	-0.914	23.640	0.218	0.218	0.000	0.000	0.000	0.000
618	A	686	GLY	0	0.024	0.007	25.705	0.000	0.000	0.000	0.000	0.000	0.000
619	A	687	PHE	0	-0.036	-0.028	26.494	-0.008	-0.008	0.000	0.000	0.000	0.000
620	A	688	GLY	0	0.028	0.027	28.387	-0.012	-0.012	0.000	0.000	0.000	0.000
621	A	689	PHE	0	0.004	0.004	28.065	0.012	0.012	0.000	0.000	0.000	0.000
622	A	690	ARG	1	0.756	0.883	20.293	-0.267	-0.267	0.000	0.000	0.000	0.000
623	A	691	GLN	0	0.010	-0.007	27.337	-0.002	-0.002	0.000	0.000	0.000	0.000
624	A	692	ASN	0	-0.050	-0.015	25.521	-0.014	-0.014	0.000	0.000	0.000	0.000
625	A	693	ILE	0	0.013	0.030	27.517	0.003	0.003	0.000	0.000	0.000	0.000
626	A	694	VAL	0	-0.010	0.001	26.974	-0.004	-0.004	0.000	0.000	0.000	0.000
627	A	695	ARG	1	0.854	0.902	29.898	-0.055	-0.055	0.000	0.000	0.000	0.000
628	A	696	GLY	0	0.016	-0.007	32.649	-0.002	-0.002	0.000	0.000	0.000	0.000
629	A	697	ASN	0	-0.012	0.000	33.763	0.002	0.002	0.000	0.000	0.000	0.000
630	A	698	SER	0	-0.036	-0.038	30.173	-0.001	-0.001	0.000	0.000	0.000	0.000
631	A	699	GLN	0	-0.020	-0.011	33.060	0.004	0.004	0.000	0.000	0.000	0.000
632	A	700	GLY	0	-0.006	-0.012	33.748	-0.002	-0.002	0.000	0.000	0.000	0.000
633	A	701	GLU	-1	-0.942	-0.964	35.073	0.000	0.000	0.000	0.000	0.000	0.000
634	A	702	THR	0	-0.064	-0.045	36.349	0.004	0.004	0.000	0.000	0.000	0.000
635	A	703	LEU	0	0.028	0.024	38.806	-0.003	-0.003	0.000	0.000	0.000	0.000
636	A	704	PHE	0	-0.002	0.007	41.547	0.003	0.003	0.000	0.000	0.000	0.000
637	A	705	THR	0	-0.047	-0.034	44.381	-0.003	-0.003	0.000	0.000	0.000	0.000
638	A	706	GLY	0	0.065	0.042	46.780	0.002	0.002	0.000	0.000	0.000	0.000
639	A	707	GLY	0	0.009	0.006	49.944	-0.002	-0.002	0.000	0.000	0.000	0.000
640	A	708	ILE	0	-0.012	-0.023	49.850	0.002	0.002	0.000	0.000	0.000	0.000
641	A	709	THR	0	0.000	0.016	53.732	-0.002	-0.002	0.000	0.000	0.000	0.000
642	A	710	ALA	0	-0.024	-0.014	54.977	0.001	0.001	0.000	0.000	0.000	0.000
643	A	711	GLU	-1	-0.834	-0.896	56.779	0.017	0.017	0.000	0.000	0.000	0.000
644	A	712	ASP	-1	-0.865	-0.903	57.960	0.018	0.018	0.000	0.000	0.000	0.000
645	A	713	SER	0	-0.038	-0.034	54.122	0.002	0.002	0.000	0.000	0.000	0.000
646	A	714	THR	0	-0.080	-0.045	52.322	-0.002	-0.002	0.000	0.000	0.000	0.000
647	A	715	ILE	0	0.040	0.018	50.225	0.002	0.002	0.000	0.000	0.000	0.000
648	A	716	VAL	0	-0.021	-0.010	47.883	-0.002	-0.002	0.000	0.000	0.000	0.000
649	A	717	ILE	0	-0.004	0.005	46.334	0.002	0.002	0.000	0.000	0.000	0.000
650	A	718	LYS	1	0.832	0.895	43.288	-0.014	-0.014	0.000	0.000	0.000	0.000
651	A	719	ASP	-1	-0.711	-0.857	41.637	-0.002	-0.002	0.000	0.000	0.000	0.000
652	A	720	LYS	1	0.776	0.878	38.435	0.006	0.006	0.000	0.000	0.000	0.000
653	A	721	ALA	0	0.005	0.022	40.677	0.001	0.001	0.000	0.000	0.000	0.000
654	A	722	LYS	1	0.856	0.916	42.556	-0.005	-0.005	0.000	0.000	0.000	0.000
655	A	723	ALA	0	0.007	-0.001	44.389	0.002	0.002	0.000	0.000	0.000	0.000
656	A	724	LEU	0	-0.022	-0.010	47.099	-0.002	-0.002	0.000	0.000	0.000	0.000
657	A	725	PHE	0	0.007	-0.012	48.902	0.001	0.001	0.000	0.000	0.000	0.000
658	A	726	SER	0	0.027	-0.002	50.798	-0.001	-0.001	0.000	0.000	0.000	0.000
659	A	727	ASN	0	-0.084	-0.046	52.643	-0.001	-0.001	0.000	0.000	0.000	0.000
660	A	728	TYR	0	-0.005	-0.005	55.031	0.000	0.000	0.000	0.000	0.000	0.000
661	A	729	VAL	0	0.004	0.004	54.437	0.001	0.001	0.000	0.000	0.000	0.000
662	A	730	TYR	0	-0.003	-0.007	57.167	-0.001	-0.001	0.000	0.000	0.000	0.000
663	A	731	LEU	0	-0.005	-0.010	55.769	0.001	0.001	0.000	0.000	0.000	0.000
664	A	732	LEU	0	0.038	0.016	59.497	-0.001	-0.001	0.000	0.000	0.000	0.000
665	A	733	ASN	0	-0.005	-0.022	61.049	0.001	0.001	0.000	0.000	0.000	0.000
666	A	734	THR	0	0.006	0.009	55.975	0.001	0.001	0.000	0.000	0.000	0.000
667	A	735	LYS	1	0.957	0.990	54.593	-0.012	-0.012	0.000	0.000	0.000	0.000
668	A	736	ALA	0	0.050	0.025	54.305	0.001	0.001	0.000	0.000	0.000	0.000
669	A	737	THR	0	-0.069	-0.044	51.620	-0.001	-0.001	0.000	0.000	0.000	0.000
670	A	738	ILE	0	0.031	0.031	50.102	0.001	0.001	0.000	0.000	0.000	0.000
671	A	739	GLU	-1	-0.781	-0.886	46.477	0.008	0.008	0.000	0.000	0.000	0.000
672	A	740	ASN	0	0.044	-0.012	47.959	0.000	0.000	0.000	0.000	0.000	0.000
673	A	741	GLY	0	-0.023	-0.010	45.109	0.000	0.000	0.000	0.000	0.000	0.000
674	A	742	ALA	0	-0.025	0.017	44.886	0.000	0.000	0.000	0.000	0.000	0.000
675	A	743	ASP	-1	-0.871	-0.930	46.368	-0.001	-0.001	0.000	0.000	0.000	0.000
676	A	744	VAL	0	0.018	0.008	47.656	0.002	0.002	0.000	0.000	0.000	0.000
677	A	745	THR	0	-0.008	-0.001	50.403	-0.002	-0.002	0.000	0.000	0.000	0.000
678	A	746	THR	0	0.012	0.004	52.020	0.002	0.002	0.000	0.000	0.000	0.000
679	A	747	GLN	0	0.008	-0.006	52.392	0.000	0.000	0.000	0.000	0.000	0.000
680	A	748	SER	0	0.016	0.011	56.374	0.000	0.000	0.000	0.000	0.000	0.000
681	A	749	GLY	0	-0.017	0.004	58.137	0.001	0.001	0.000	0.000	0.000	0.000
682	A	750	MET	0	-0.038	-0.024	56.052	0.000	0.000	0.000	0.000	0.000	0.000
683	A	751	PHE	0	-0.024	0.004	60.699	-0.001	-0.001	0.000	0.000	0.000	0.000
684	A	752	SER	0	-0.011	-0.008	60.918	0.001	0.001	0.000	0.000	0.000	0.000
685	A	753	THR	0	0.081	0.043	62.592	0.000	0.000	0.000	0.000	0.000	0.000
686	A	754	SER	0	-0.055	-0.029	61.571	0.000	0.000	0.000	0.000	0.000	0.000
687	A	755	ASP	-1	-0.824	-0.891	61.689	0.006	0.006	0.000	0.000	0.000	0.000
688	A	756	ILE	0	-0.015	0.004	56.525	0.001	0.001	0.000	0.000	0.000	0.000
689	A	757	SER	0	-0.058	-0.023	55.899	-0.001	-0.001	0.000	0.000	0.000	0.000
690	A	758	ILE	0	-0.030	-0.030	54.051	0.001	0.001	0.000	0.000	0.000	0.000
691	A	759	SER	0	-0.052	-0.041	51.552	-0.001	-0.001	0.000	0.000	0.000	0.000
692	A	760	GLY	0	0.041	0.033	50.201	-0.001	-0.001	0.000	0.000	0.000	0.000
693	A	761	ASN	0	-0.029	-0.025	49.017	-0.001	-0.001	0.000	0.000	0.000	0.000
694	A	762	LEU	0	0.010	0.016	51.729	0.001	0.001	0.000	0.000	0.000	0.000
695	A	763	SER	0	-0.009	-0.005	53.134	-0.001	-0.001	0.000	0.000	0.000	0.000
696	A	764	MET	0	-0.035	-0.020	55.332	0.001	0.001	0.000	0.000	0.000	0.000
697	A	765	THR	0	-0.013	-0.013	56.117	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	766	GLY	0	0.038	0.036	58.622	0.001	0.001	0.000	0.000	0.000	0.000
699	A	767	ASN	0	0.012	-0.016	56.980	0.000	0.000	0.000	0.000	0.000	0.000
700	A	768	PRO	0	-0.035	0.003	54.048	-0.001	-0.001	0.000	0.000	0.000	0.000
701	A	769	ASP	-1	-0.784	-0.874	56.218	0.004	0.004	0.000	0.000	0.000	0.000
702	A	770	LYS	1	0.923	0.941	55.236	-0.009	-0.009	0.000	0.000	0.000	0.000
703	A	771	ASP	-1	-0.907	-0.928	55.984	0.002	0.002	0.000	0.000	0.000	0.000
704	A	772	ASN	0	-0.050	-0.036	55.053	-0.001	-0.001	0.000	0.000	0.000	0.000
705	A	773	LYS	1	0.803	0.915	57.438	-0.002	-0.002	0.000	0.000	0.000	0.000
706	A	774	PHE	0	0.019	-0.003	56.477	0.000	0.000	0.000	0.000	0.000	0.000
707	A	775	GLU	-1	-0.823	-0.887	60.971	0.007	0.007	0.000	0.000	0.000	0.000
708	A	776	PRO	0	-0.022	-0.011	62.221	0.000	0.000	0.000	0.000	0.000	0.000
709	A	777	SER	0	-0.032	0.004	59.985	0.001	0.001	0.000	0.000	0.000	0.000
710	A	778	ILE	0	-0.018	-0.012	63.121	-0.001	-0.001	0.000	0.000	0.000	0.000
711	A	779	TYR	0	-0.047	-0.044	58.661	0.001	0.001	0.000	0.000	0.000	0.000
712	A	780	LEU	0	0.005	0.008	63.483	-0.001	-0.001	0.000	0.000	0.000	0.000
713	A	781	ASN	0	-0.023	-0.017	63.007	0.001	0.001	0.000	0.000	0.000	0.000
714	A	782	ASP	-1	-0.883	-0.950	65.289	0.007	0.007	0.000	0.000	0.000	0.000
715	A	783	ALA	0	-0.065	-0.010	64.707	0.000	0.000	0.000	0.000	0.000	0.000
716	A	784	SER	0	-0.042	-0.046	64.888	-0.001	-0.001	0.000	0.000	0.000	0.000
717	A	785	TYR	0	-0.075	-0.044	60.455	0.001	0.001	0.000	0.000	0.000	0.000
718	A	786	LEU	0	0.005	0.005	60.115	-0.001	-0.001	0.000	0.000	0.000	0.000
719	A	787	LEU	0	0.019	0.013	58.311	0.000	0.000	0.000	0.000	0.000	0.000
720	A	788	THR	0	-0.006	0.002	55.631	-0.001	-0.001	0.000	0.000	0.000	0.000
721	A	789	ASP	-1	-0.801	-0.888	52.878	-0.004	-0.004	0.000	0.000	0.000	0.000
722	A	790	ASP	-1	-0.783	-0.864	55.490	-0.005	-0.005	0.000	0.000	0.000	0.000
723	A	791	SER	0	-0.072	-0.045	51.575	-0.001	-0.001	0.000	0.000	0.000	0.000
724	A	792	ALA	0	-0.009	0.010	53.170	0.000	0.000	0.000	0.000	0.000	0.000
725	A	793	ARG	1	0.873	0.927	52.255	0.005	0.005	0.000	0.000	0.000	0.000
726	A	794	LEU	0	0.005	0.017	55.449	0.001	0.001	0.000	0.000	0.000	0.000
727	A	795	VAL	0	-0.014	-0.016	55.567	-0.001	-0.001	0.000	0.000	0.000	0.000
728	A	796	ALA	0	0.031	0.024	58.306	0.001	0.001	0.000	0.000	0.000	0.000
729	A	797	LYS	1	0.937	0.967	56.302	0.004	0.004	0.000	0.000	0.000	0.000
730	A	798	ASN	0	-0.005	0.002	57.611	0.000	0.000	0.000	0.000	0.000	0.000
731	A	799	LYS	1	0.811	0.907	61.121	0.002	0.002	0.000	0.000	0.000	0.000
732	A	800	ALA	0	0.040	0.031	61.562	0.001	0.001	0.000	0.000	0.000	0.000
733	A	801	SER	0	-0.028	-0.033	63.652	-0.001	-0.001	0.000	0.000	0.000	0.000
734	A	802	VAL	0	-0.004	0.002	63.074	0.001	0.001	0.000	0.000	0.000	0.000
735	A	803	VAL	0	0.008	-0.005	65.798	0.000	0.000	0.000	0.000	0.000	0.000
736	A	804	GLY	0	0.093	0.051	66.406	0.001	0.001	0.000	0.000	0.000	0.000
737	A	805	ASP	-1	-0.813	-0.860	66.943	0.002	0.002	0.000	0.000	0.000	0.000
738	A	806	ILE	0	-0.011	0.005	63.291	0.000	0.000	0.000	0.000	0.000	0.000
739	A	807	HIS	0	-0.007	0.001	64.394	0.000	0.000	0.000	0.000	0.000	0.000
740	A	808	SER	0	0.004	-0.032	60.902	0.000	0.000	0.000	0.000	0.000	0.000
741	A	809	THR	0	-0.023	-0.016	62.290	0.000	0.000	0.000	0.000	0.000	0.000
742	A	810	LYS	1	0.804	0.907	56.549	0.003	0.003	0.000	0.000	0.000	0.000
743	A	811	SER	0	-0.064	-0.065	59.315	0.000	0.000	0.000	0.000	0.000	0.000
744	A	812	ALA	0	0.012	0.033	58.090	-0.001	-0.001	0.000	0.000	0.000	0.000
745	A	813	SER	0	-0.032	-0.023	57.597	-0.001	-0.001	0.000	0.000	0.000	0.000
746	A	814	ILE	0	-0.007	0.000	59.226	0.001	0.001	0.000	0.000	0.000	0.000
747	A	815	MET	0	-0.047	-0.028	56.054	-0.001	-0.001	0.000	0.000	0.000	0.000
748	A	816	PHE	0	0.003	-0.012	60.830	0.001	0.001	0.000	0.000	0.000	0.000
749	A	817	GLY	0	0.038	0.024	62.894	-0.001	-0.001	0.000	0.000	0.000	0.000
750	A	818	HIS	0	-0.060	-0.040	60.495	0.000	0.000	0.000	0.000	0.000	0.000
751	A	819	ASP	-1	-0.867	-0.930	59.158	-0.009	-0.009	0.000	0.000	0.000	0.000
752	A	820	GLU	-1	-0.843	-0.906	61.308	-0.007	-0.007	0.000	0.000	0.000	0.000
753	A	821	SER	0	-0.018	-0.010	60.653	0.000	0.000	0.000	0.000	0.000	0.000
754	A	822	ASP	-1	-0.978	-0.997	58.228	-0.006	-0.006	0.000	0.000	0.000	0.000
755	A	823	LEU	0	0.006	0.011	61.032	0.001	0.001	0.000	0.000	0.000	0.000
756	A	824	SER	0	0.036	0.006	60.737	0.000	0.000	0.000	0.000	0.000	0.000
757	A	825	GLN	0	-0.034	-0.024	62.497	0.000	0.000	0.000	0.000	0.000	0.000
758	A	826	LEU	0	0.013	-0.004	63.413	0.000	0.000	0.000	0.000	0.000	0.000
759	A	827	SER	0	-0.025	-0.032	62.528	0.000	0.000	0.000	0.000	0.000	0.000
760	A	828	ASP	-1	-0.892	-0.948	64.329	0.003	0.003	0.000	0.000	0.000	0.000
761	A	829	ARG	1	0.829	0.887	59.607	-0.006	-0.006	0.000	0.000	0.000	0.000
762	A	830	THR	0	-0.031	-0.004	65.932	0.000	0.000	0.000	0.000	0.000	0.000
763	A	831	SER	0	0.011	0.005	68.229	-0.001	-0.001	0.000	0.000	0.000	0.000
764	A	832	LYS	1	1.030	0.976	71.871	-0.001	-0.001	0.000	0.000	0.000	0.000
765	A	833	GLY	0	0.002	0.015	73.668	0.000	0.000	0.000	0.000	0.000	0.000
766	A	834	LEU	0	0.041	0.022	68.881	0.000	0.000	0.000	0.000	0.000	0.000
767	A	835	ALA	0	0.011	0.007	70.327	0.000	0.000	0.000	0.000	0.000	0.000
768	A	836	LEU	0	-0.016	-0.013	71.320	0.000	0.000	0.000	0.000	0.000	0.000
769	A	837	GLY	0	-0.012	0.003	74.504	0.000	0.000	0.000	0.000	0.000	0.000
770	A	838	LEU	0	-0.003	0.000	68.135	0.000	0.000	0.000	0.000	0.000	0.000
771	A	839	LEU	0	-0.006	-0.003	66.752	0.000	0.000	0.000	0.000	0.000	0.000
772	A	840	GLY	0	0.024	0.033	70.952	0.000	0.000	0.000	0.000	0.000	0.000
773	A	841	GLY	0	-0.013	-0.018	72.850	0.000	0.000	0.000	0.000	0.000	0.000
774	A	842	PHE	0	-0.058	-0.023	69.898	-0.001	-0.001	0.000	0.000	0.000	0.000
775	A	843	ASP	-1	-0.767	-0.879	63.424	-0.001	-0.001	0.000	0.000	0.000	0.000
776	A	844	VAL	0	-0.029	-0.001	63.519	0.001	0.001	0.000	0.000	0.000	0.000
777	A	845	SER	0	-0.028	0.002	66.542	0.000	0.000	0.000	0.000	0.000	0.000
778	A	846	TYR	0	-0.002	-0.030	66.256	0.000	0.000	0.000	0.000	0.000	0.000
779	A	847	ARG	1	0.870	0.922	68.732	-0.003	-0.003	0.000	0.000	0.000	0.000
780	A	848	GLY	0	0.057	0.024	70.025	0.001	0.001	0.000	0.000	0.000	0.000
781	A	849	SER	0	-0.104	-0.055	71.237	-0.001	-0.001	0.000	0.000	0.000	0.000
782	A	850	VAL	0	0.055	0.014	66.671	0.000	0.000	0.000	0.000	0.000	0.000
783	A	851	ASN	0	-0.037	-0.020	68.482	-0.001	-0.001	0.000	0.000	0.000	0.000
784	A	852	ALA	0	0.022	0.002	64.678	0.000	0.000	0.000	0.000	0.000	0.000
785	A	853	PRO	0	0.040	0.017	66.667	-0.001	-0.001	0.000	0.000	0.000	0.000
786	A	854	SER	0	-0.037	-0.017	63.868	-0.001	-0.001	0.000	0.000	0.000	0.000
787	A	855	ALA	0	-0.004	0.010	62.898	-0.001	-0.001	0.000	0.000	0.000	0.000
788	A	856	SER	0	-0.063	-0.023	61.348	0.000	0.000	0.000	0.000	0.000	0.000
789	A	857	ALA	0	0.033	0.012	62.949	0.000	0.000	0.000	0.000	0.000	0.000
790	A	858	THR	0	-0.025	-0.023	62.425	-0.001	-0.001	0.000	0.000	0.000	0.000
791	A	859	MET	0	-0.029	0.001	64.301	0.001	0.001	0.000	0.000	0.000	0.000
792	A	860	ASN	0	0.079	0.039	64.588	0.000	0.000	0.000	0.000	0.000	0.000
793	A	861	ASN	0	-0.017	-0.006	66.423	0.001	0.001	0.000	0.000	0.000	0.000
794	A	862	THR	0	-0.014	-0.025	66.864	0.001	0.001	0.000	0.000	0.000	0.000
795	A	863	TRP	0	-0.002	0.011	69.181	0.000	0.000	0.000	0.000	0.000	0.000
796	A	864	TRP	0	0.034	-0.004	70.942	0.000	0.000	0.000	0.000	0.000	0.000
797	A	865	GLN	0	-0.019	-0.001	72.133	0.000	0.000	0.000	0.000	0.000	0.000
798	A	866	LEU	0	0.005	0.024	73.735	0.000	0.000	0.000	0.000	0.000	0.000
799	A	867	THR	0	0.011	-0.012	74.415	0.000	0.000	0.000	0.000	0.000	0.000
800	A	868	GLY	0	-0.008	-0.016	75.746	0.000	0.000	0.000	0.000	0.000	0.000
801	A	869	ASP	-1	-0.844	-0.911	75.587	0.000	0.000	0.000	0.000	0.000	0.000
802	A	870	SER	0	-0.010	-0.009	72.350	0.000	0.000	0.000	0.000	0.000	0.000
803	A	871	ALA	0	-0.014	-0.014	71.474	0.000	0.000	0.000	0.000	0.000	0.000
804	A	872	LEU	0	0.002	0.011	66.567	0.000	0.000	0.000	0.000	0.000	0.000
805	A	873	LYS	1	0.978	1.006	64.499	0.007	0.007	0.000	0.000	0.000	0.000
806	A	874	THR	0	-0.042	-0.031	65.442	0.000	0.000	0.000	0.000	0.000	0.000
807	A	875	LEU	0	0.045	0.019	67.152	0.000	0.000	0.000	0.000	0.000	0.000
808	A	876	LYS	1	0.952	0.975	63.887	0.008	0.008	0.000	0.000	0.000	0.000
809	A	877	SER	0	0.013	0.019	67.975	0.000	0.000	0.000	0.000	0.000	0.000
810	A	878	THR	0	0.010	-0.004	67.854	0.000	0.000	0.000	0.000	0.000	0.000
811	A	879	ASN	0	-0.005	-0.003	68.962	0.000	0.000	0.000	0.000	0.000	0.000
812	A	880	SER	0	-0.018	-0.026	69.968	0.001	0.001	0.000	0.000	0.000	0.000
813	A	881	MET	0	-0.032	-0.013	72.382	0.000	0.000	0.000	0.000	0.000	0.000
814	A	882	VAL	0	-0.002	0.015	73.387	0.000	0.000	0.000	0.000	0.000	0.000
815	A	883	TYR	0	0.013	-0.012	75.616	0.000	0.000	0.000	0.000	0.000	0.000
816	A	884	PHE	0	0.026	0.014	77.487	0.000	0.000	0.000	0.000	0.000	0.000
817	A	885	THR	0	0.007	0.006	77.589	0.000	0.000	0.000	0.000	0.000	0.000
818	A	886	ASP	-1	-0.861	-0.920	79.505	0.002	0.002	0.000	0.000	0.000	0.000
819	A	887	SER	0	0.068	0.013	76.292	0.000	0.000	0.000	0.000	0.000	0.000
820	A	888	ALA	0	0.010	0.012	78.307	0.000	0.000	0.000	0.000	0.000	0.000
821	A	889	ASN	0	-0.023	-0.024	79.356	0.000	0.000	0.000	0.000	0.000	0.000
822	A	890	ASN	0	0.038	0.022	77.621	0.000	0.000	0.000	0.000	0.000	0.000
823	A	891	LYS	1	0.862	0.933	81.558	-0.003	-0.003	0.000	0.000	0.000	0.000
824	A	892	LYS	1	0.932	0.989	80.744	-0.002	-0.002	0.000	0.000	0.000	0.000
825	A	893	PHE	0	-0.024	-0.014	83.238	0.000	0.000	0.000	0.000	0.000	0.000
826	A	894	HIS	0	-0.037	-0.017	78.673	0.000	0.000	0.000	0.000	0.000	0.000
827	A	895	THR	0	-0.017	-0.014	79.301	0.000	0.000	0.000	0.000	0.000	0.000
828	A	896	LEU	0	-0.037	-0.006	73.142	0.000	0.000	0.000	0.000	0.000	0.000
829	A	897	THR	0	0.019	0.015	75.015	0.000	0.000	0.000	0.000	0.000	0.000
830	A	898	VAL	0	0.026	0.003	71.066	0.000	0.000	0.000	0.000	0.000	0.000
831	A	899	ASP	-1	-0.848	-0.892	70.740	-0.006	-0.006	0.000	0.000	0.000	0.000
832	A	900	GLU	-1	-0.956	-0.985	68.516	-0.009	-0.009	0.000	0.000	0.000	0.000
833	A	901	LEU	0	-0.013	-0.008	70.928	0.000	0.000	0.000	0.000	0.000	0.000
834	A	902	ALA	0	0.002	0.017	69.709	0.000	0.000	0.000	0.000	0.000	0.000
835	A	903	THR	0	0.006	-0.018	71.164	0.000	0.000	0.000	0.000	0.000	0.000
836	A	904	SER	0	-0.012	-0.001	72.536	0.000	0.000	0.000	0.000	0.000	0.000
837	A	905	ASN	0	0.019	0.011	73.483	0.000	0.000	0.000	0.000	0.000	0.000
838	A	906	SER	0	-0.008	0.003	73.492	0.000	0.000	0.000	0.000	0.000	0.000
839	A	907	ALA	0	-0.019	-0.012	75.815	0.000	0.000	0.000	0.000	0.000	0.000
840	A	908	TYR	0	-0.016	-0.011	73.795	0.000	0.000	0.000	0.000	0.000	0.000
841	A	909	ALA	0	0.006	0.002	79.489	0.000	0.000	0.000	0.000	0.000	0.000
842	A	910	MET	0	-0.016	0.005	81.040	0.000	0.000	0.000	0.000	0.000	0.000
843	A	911	ARG	1	0.808	0.879	82.680	0.000	0.000	0.000	0.000	0.000	0.000
844	A	912	THR	0	-0.015	-0.039	86.294	0.000	0.000	0.000	0.000	0.000	0.000
845	A	913	ASN	0	-0.001	-0.008	89.693	0.000	0.000	0.000	0.000	0.000	0.000
846	A	914	LEU	0	-0.073	-0.040	92.732	0.000	0.000	0.000	0.000	0.000	0.000
847	A	915	SER	0	-0.031	-0.040	93.517	0.000	0.000	0.000	0.000	0.000	0.000
848	A	916	GLU	-1	-0.844	-0.878	89.154	0.000	0.000	0.000	0.000	0.000	0.000
849	A	917	SER	0	0.001	-0.019	86.542	0.000	0.000	0.000	0.000	0.000	0.000
850	A	918	ASP	-1	-0.721	-0.808	82.046	0.000	0.000	0.000	0.000	0.000	0.000
851	A	919	LYS	1	0.805	0.912	82.189	0.001	0.001	0.000	0.000	0.000	0.000
852	A	920	LEU	0	-0.005	0.003	76.613	0.000	0.000	0.000	0.000	0.000	0.000
853	A	921	GLU	-1	-0.899	-0.960	78.684	-0.004	-0.004	0.000	0.000	0.000	0.000
854	A	922	VAL	0	-0.027	-0.021	75.192	0.000	0.000	0.000	0.000	0.000	0.000
855	A	923	LYS	1	0.846	0.888	73.531	0.004	0.004	0.000	0.000	0.000	0.000
856	A	924	LYS	1	0.809	0.893	71.621	0.007	0.007	0.000	0.000	0.000	0.000
857	A	925	HIS	0	0.035	0.031	71.644	0.000	0.000	0.000	0.000	0.000	0.000
858	A	926	LEU	0	0.028	0.020	74.432	0.000	0.000	0.000	0.000	0.000	0.000
859	A	927	SER	0	-0.028	-0.003	73.027	0.000	0.000	0.000	0.000	0.000	0.000
860	A	928	GLY	0	0.047	0.010	74.620	0.000	0.000	0.000	0.000	0.000	0.000
861	A	929	GLU	-1	-0.944	-0.975	75.287	-0.008	-0.008	0.000	0.000	0.000	0.000
862	A	930	ASN	0	-0.027	-0.020	76.825	0.000	0.000	0.000	0.000	0.000	0.000
863	A	931	ASN	0	0.052	0.019	76.533	0.000	0.000	0.000	0.000	0.000	0.000
864	A	932	ILE	0	-0.028	-0.003	79.646	0.000	0.000	0.000	0.000	0.000	0.000
865	A	933	LEU	0	-0.006	-0.009	81.477	0.000	0.000	0.000	0.000	0.000	0.000
866	A	934	LEU	0	-0.039	-0.022	81.683	0.000	0.000	0.000	0.000	0.000	0.000
867	A	935	VAL	0	-0.002	-0.020	84.914	0.000	0.000	0.000	0.000	0.000	0.000
868	A	936	ASP	-1	-0.889	-0.933	85.885	0.000	0.000	0.000	0.000	0.000	0.000
869	A	937	PHE	0	-0.010	-0.029	87.883	0.000	0.000	0.000	0.000	0.000	0.000
870	A	938	LEU	0	0.015	0.002	87.505	0.000	0.000	0.000	0.000	0.000	0.000
871	A	939	GLN	0	-0.044	-0.021	91.609	0.000	0.000	0.000	0.000	0.000	0.000
872	A	940	LYS	1	0.900	0.925	95.382	0.000	0.000	0.000	0.000	0.000	0.000
873	A	941	PRO	0	-0.026	0.007	96.078	0.000	0.000	0.000	0.000	0.000	0.000
874	A	942	THR	0	-0.047	-0.057	98.871	0.000	0.000	0.000	0.000	0.000	0.000
875	A	943	PRO	0	0.039	0.021	102.208	0.000	0.000	0.000	0.000	0.000	0.000
876	A	944	GLU	-1	-0.872	-0.895	104.276	-0.001	-0.001	0.000	0.000	0.000	0.000
877	A	945	LYS	1	0.810	0.903	99.703	0.001	0.001	0.000	0.000	0.000	0.000
878	A	946	GLN	0	0.027	0.007	100.257	0.000	0.000	0.000	0.000	0.000	0.000
879	A	947	LEU	0	-0.007	0.000	95.322	0.000	0.000	0.000	0.000	0.000	0.000
880	A	948	ASN	0	0.058	0.016	95.033	0.000	0.000	0.000	0.000	0.000	0.000
881	A	949	ILE	0	-0.012	0.023	89.807	0.000	0.000	0.000	0.000	0.000	0.000
882	A	950	GLU	-1	-0.835	-0.874	86.285	-0.003	-0.003	0.000	0.000	0.000	0.000
883	A	951	LEU	0	0.002	-0.006	85.311	0.000	0.000	0.000	0.000	0.000	0.000
884	A	952	VAL	0	-0.004	-0.002	81.076	0.000	0.000	0.000	0.000	0.000	0.000
885	A	953	SER	0	0.025	-0.011	82.235	0.000	0.000	0.000	0.000	0.000	0.000
886	A	954	ALA	0	-0.011	0.009	80.368	0.000	0.000	0.000	0.000	0.000	0.000
887	A	955	PRO	0	0.070	0.036	78.150	0.000	0.000	0.000	0.000	0.000	0.000
888	A	956	LYS	1	0.841	0.926	81.461	0.006	0.006	0.000	0.000	0.000	0.000
889	A	957	ASP	-1	-0.944	-0.971	79.037	-0.008	-0.008	0.000	0.000	0.000	0.000
890	A	958	THR	0	-0.042	-0.019	79.902	0.000	0.000	0.000	0.000	0.000	0.000
891	A	959	ASN	0	0.000	-0.007	80.852	0.000	0.000	0.000	0.000	0.000	0.000
892	A	960	GLU	-1	-0.814	-0.916	82.646	-0.005	-0.005	0.000	0.000	0.000	0.000
893	A	961	ASN	0	-0.053	-0.023	82.306	0.000	0.000	0.000	0.000	0.000	0.000
894	A	962	VAL	0	-0.025	0.005	78.295	0.000	0.000	0.000	0.000	0.000	0.000
895	A	963	PHE	0	0.009	0.004	78.160	0.000	0.000	0.000	0.000	0.000	0.000
896	A	964	LYS	1	0.964	0.985	82.731	0.005	0.005	0.000	0.000	0.000	0.000
897	A	965	ALA	0	0.032	0.023	85.166	0.000	0.000	0.000	0.000	0.000	0.000
898	A	966	SER	0	-0.027	-0.037	85.078	0.000	0.000	0.000	0.000	0.000	0.000
899	A	967	LYS	1	0.799	0.879	86.868	0.004	0.004	0.000	0.000	0.000	0.000
900	A	968	GLN	0	-0.057	-0.036	83.017	0.000	0.000	0.000	0.000	0.000	0.000
901	A	969	THR	0	-0.022	-0.008	88.205	0.000	0.000	0.000	0.000	0.000	0.000
902	A	970	ILE	0	0.015	0.000	81.904	0.000	0.000	0.000	0.000	0.000	0.000
903	A	971	GLY	0	0.074	0.046	86.104	0.000	0.000	0.000	0.000	0.000	0.000
904	A	972	PHE	0	-0.077	-0.046	86.851	0.000	0.000	0.000	0.000	0.000	0.000
905	A	973	SER	0	-0.017	0.006	90.417	0.000	0.000	0.000	0.000	0.000	0.000
906	A	974	ASP	-1	-0.849	-0.911	92.212	0.000	0.000	0.000	0.000	0.000	0.000
907	A	975	VAL	0	-0.046	-0.035	93.503	0.000	0.000	0.000	0.000	0.000	0.000
908	A	976	THR	0	0.024	0.020	90.834	0.000	0.000	0.000	0.000	0.000	0.000
909	A	977	PRO	0	-0.002	-0.003	88.656	0.000	0.000	0.000	0.000	0.000	0.000
910	A	978	VAL	0	-0.041	-0.010	91.980	0.000	0.000	0.000	0.000	0.000	0.000
911	A	979	ILE	0	0.004	-0.009	87.881	0.000	0.000	0.000	0.000	0.000	0.000
912	A	980	THR	0	-0.052	-0.036	91.280	0.000	0.000	0.000	0.000	0.000	0.000
913	A	981	THR	0	0.037	0.012	88.227	0.000	0.000	0.000	0.000	0.000	0.000
914	A	982	ARG	1	0.833	0.903	89.849	0.003	0.003	0.000	0.000	0.000	0.000
915	A	983	GLU	-1	-0.853	-0.935	88.482	-0.006	-0.006	0.000	0.000	0.000	0.000
916	A	984	THR	0	-0.086	-0.033	88.726	0.000	0.000	0.000	0.000	0.000	0.000
917	A	985	ASP	-1	-0.918	-0.987	89.813	-0.005	-0.005	0.000	0.000	0.000	0.000
918	A	986	ASP	-1	-0.908	-0.948	84.183	-0.006	-0.006	0.000	0.000	0.000	0.000
919	A	987	LYS	1	0.865	0.928	82.628	0.004	0.004	0.000	0.000	0.000	0.000
920	A	988	ILE	0	0.000	0.034	84.009	0.000	0.000	0.000	0.000	0.000	0.000
921	A	989	THR	0	-0.064	-0.028	85.054	0.000	0.000	0.000	0.000	0.000	0.000
922	A	990	TRP	0	0.027	0.020	82.047	0.000	0.000	0.000	0.000	0.000	0.000
923	A	991	SER	0	-0.012	-0.017	87.623	0.000	0.000	0.000	0.000	0.000	0.000
924	A	992	LEU	0	-0.009	-0.004	90.432	0.000	0.000	0.000	0.000	0.000	0.000
925	A	993	THR	0	-0.013	-0.009	91.932	0.000	0.000	0.000	0.000	0.000	0.000
926	A	994	GLY	0	-0.020	-0.013	95.035	0.000	0.000	0.000	0.000	0.000	0.000
927	A	995	TYR	0	-0.016	-0.012	94.963	0.000	0.000	0.000	0.000	0.000	0.000
928	A	996	ASN	0	0.010	0.014	94.840	0.000	0.000	0.000	0.000	0.000	0.000
929	A	997	THR	0	0.022	0.006	96.186	0.000	0.000	0.000	0.000	0.000	0.000
930	A	998	VAL	0	0.020	0.024	93.716	0.000	0.000	0.000	0.000	0.000	0.000
931	A	999	ALA	0	-0.030	-0.014	97.020	0.000	0.000	0.000	0.000	0.000	0.000
932	A	1012	SER	0	-0.029	-0.029	78.345	0.000	0.000	0.000	0.000	0.000	0.000
933	A	1013	VAL	0	-0.002	0.003	80.401	0.000	0.000	0.000	0.000	0.000	0.000
934	A	1014	ASP	-1	-0.866	-0.934	76.976	-0.001	-0.001	0.000	0.000	0.000	0.000
935	A	1015	TYR	0	0.023	-0.015	76.488	0.000	0.000	0.000	0.000	0.000	0.000
936	A	1016	LYS	1	0.870	0.957	71.356	0.003	0.003	0.000	0.000	0.000	0.000
937	A	1017	ALA	0	-0.007	-0.001	75.870	0.000	0.000	0.000	0.000	0.000	0.000
938	A	1018	PHE	0	0.040	0.017	79.047	0.000	0.000	0.000	0.000	0.000	0.000
939	A	1019	LEU	0	-0.016	-0.005	74.356	0.000	0.000	0.000	0.000	0.000	0.000
940	A	1020	ASN	0	-0.043	-0.020	78.381	-0.001	-0.001	0.000	0.000	0.000	0.000
941	A	1021	GLU	-1	-0.797	-0.850	80.021	-0.003	-0.003	0.000	0.000	0.000	0.000
942	A	1022	VAL	0	-0.065	-0.019	77.900	0.000	0.000	0.000	0.000	0.000	0.000
943	A	1023	ASN	0	0.010	0.010	75.884	-0.001	-0.001	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:56:SER)