FMO DATABASE

FMODB ID: N239Q

Calculation Name: 1D0N-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1D0N

Chain ID: A

ChEMBL ID:

UniProt ID: Q28372

Base Structure: X-ray

Registration Date: 2023-09-26

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	OptH
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	728
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-17589148.416937
FMO2-HF: Nuclear repulsion	17308015.583794
FMO2-HF: Total energy	-281132.833143
FMO2-MP2: Total energy	-281961.042239

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:27:VAL)

Summations of interaction energy for fragment #1(A:27:VAL)

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.
-3.093	2.408	0.067	-2.664	-2.903	-0.009

Interaction energy analysis for fragmet #1(A:27:VAL)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.015 / q_NPA : -0.035

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	29	HIS	0	0.011	0.035	2.667	-3.882	1.369	0.062	-2.628	-2.685	-0.009
4	A	30	PRO	0	0.044	0.002	3.546	-0.281	-0.031	0.005	-0.036	-0.218	0.000
5	A	31	GLU	-1	-0.785	-0.887	5.871	-0.354	-0.354	0.000	0.000	0.000	0.000
6	A	32	PHE	0	0.030	0.013	7.633	0.177	0.177	0.000	0.000	0.000	0.000
7	A	33	LEU	0	-0.040	-0.007	5.780	0.204	0.204	0.000	0.000	0.000	0.000
8	A	34	LYS	1	0.840	0.913	9.678	0.634	0.634	0.000	0.000	0.000	0.000
9	A	35	ALA	0	-0.049	-0.009	12.222	0.104	0.104	0.000	0.000	0.000	0.000
10	A	36	GLY	0	0.003	0.003	14.183	-0.021	-0.021	0.000	0.000	0.000	0.000
11	A	37	LYS	1	0.919	0.962	12.266	0.625	0.625	0.000	0.000	0.000	0.000
12	A	38	GLU	-1	-0.934	-0.962	17.722	-0.235	-0.235	0.000	0.000	0.000	0.000
13	A	39	PRO	0	-0.045	-0.027	21.451	0.001	0.001	0.000	0.000	0.000	0.000
14	A	40	GLY	0	0.040	0.022	23.230	-0.001	-0.001	0.000	0.000	0.000	0.000
15	A	41	LEU	0	-0.059	-0.022	22.584	0.004	0.004	0.000	0.000	0.000	0.000
16	A	42	GLN	0	0.037	0.018	15.855	0.000	0.000	0.000	0.000	0.000	0.000
17	A	43	ILE	0	0.006	-0.005	19.141	0.017	0.017	0.000	0.000	0.000	0.000
18	A	44	TRP	0	-0.038	-0.026	13.060	0.004	0.004	0.000	0.000	0.000	0.000
19	A	45	ARG	1	0.731	0.818	16.979	0.068	0.068	0.000	0.000	0.000	0.000
20	A	46	VAL	0	-0.026	-0.023	15.165	-0.016	-0.016	0.000	0.000	0.000	0.000
21	A	47	GLU	-1	-0.852	-0.924	15.237	-0.055	-0.055	0.000	0.000	0.000	0.000
22	A	48	LYS	1	0.909	0.952	14.885	-0.030	-0.030	0.000	0.000	0.000	0.000
23	A	49	PHE	0	-0.027	-0.010	11.695	0.027	0.027	0.000	0.000	0.000	0.000
24	A	50	ASP	-1	-0.800	-0.899	9.539	-0.147	-0.147	0.000	0.000	0.000	0.000
25	A	51	LEU	0	-0.059	-0.012	10.346	0.014	0.014	0.000	0.000	0.000	0.000
26	A	52	VAL	0	0.030	0.012	11.807	-0.059	-0.059	0.000	0.000	0.000	0.000
27	A	53	PRO	0	-0.043	-0.020	13.226	0.025	0.025	0.000	0.000	0.000	0.000
28	A	54	VAL	0	0.009	0.016	16.335	0.019	0.019	0.000	0.000	0.000	0.000
29	A	55	PRO	0	-0.025	-0.020	20.077	-0.013	-0.013	0.000	0.000	0.000	0.000
30	A	56	PRO	0	0.068	0.024	21.373	0.010	0.010	0.000	0.000	0.000	0.000
31	A	57	ASN	0	-0.011	0.000	23.845	-0.002	-0.002	0.000	0.000	0.000	0.000
32	A	58	LEU	0	-0.018	-0.022	25.042	0.009	0.009	0.000	0.000	0.000	0.000
33	A	59	TYR	0	-0.007	0.001	20.177	0.001	0.001	0.000	0.000	0.000	0.000
34	A	60	GLY	0	0.061	0.033	25.975	0.004	0.004	0.000	0.000	0.000	0.000
35	A	61	ASP	-1	-0.902	-0.950	27.218	-0.048	-0.048	0.000	0.000	0.000	0.000
36	A	62	PHE	0	-0.034	-0.026	23.620	-0.007	-0.007	0.000	0.000	0.000	0.000
37	A	63	PHE	0	-0.044	-0.041	24.427	0.006	0.006	0.000	0.000	0.000	0.000
38	A	64	THR	0	0.041	-0.005	26.508	0.002	0.002	0.000	0.000	0.000	0.000
39	A	65	GLY	0	-0.013	0.010	27.259	0.004	0.004	0.000	0.000	0.000	0.000
40	A	66	ASP	-1	-0.759	-0.852	22.239	-0.012	-0.012	0.000	0.000	0.000	0.000
41	A	67	ALA	0	0.018	0.001	20.302	0.002	0.002	0.000	0.000	0.000	0.000
42	A	68	TYR	0	-0.043	-0.043	19.443	-0.004	-0.004	0.000	0.000	0.000	0.000
43	A	69	VAL	0	0.009	0.009	15.722	0.017	0.017	0.000	0.000	0.000	0.000
44	A	70	ILE	0	-0.027	-0.016	18.486	-0.019	-0.019	0.000	0.000	0.000	0.000
45	A	71	LEU	0	-0.001	0.008	16.465	0.013	0.013	0.000	0.000	0.000	0.000
46	A	72	LYS	1	0.942	0.986	19.666	0.104	0.104	0.000	0.000	0.000	0.000
47	A	73	THR	0	0.023	0.001	20.319	-0.003	-0.003	0.000	0.000	0.000	0.000
48	A	74	VAL	0	-0.006	-0.008	22.885	0.006	0.006	0.000	0.000	0.000	0.000
49	A	75	GLN	0	0.004	0.009	25.354	-0.001	-0.001	0.000	0.000	0.000	0.000
50	A	76	LEU	0	-0.026	-0.007	26.799	0.011	0.011	0.000	0.000	0.000	0.000
51	A	77	ARG	1	0.970	0.960	29.087	0.060	0.060	0.000	0.000	0.000	0.000
52	A	78	ASN	0	-0.020	-0.003	28.552	-0.006	-0.006	0.000	0.000	0.000	0.000
53	A	79	GLY	0	0.022	0.013	28.167	-0.003	-0.003	0.000	0.000	0.000	0.000
54	A	80	ILE	0	-0.039	-0.009	23.363	-0.016	-0.016	0.000	0.000	0.000	0.000
55	A	81	LEU	0	0.008	0.010	20.024	0.007	0.007	0.000	0.000	0.000	0.000
56	A	82	GLN	0	0.025	0.019	22.695	0.007	0.007	0.000	0.000	0.000	0.000
57	A	83	TYR	0	-0.022	-0.018	18.186	-0.008	-0.008	0.000	0.000	0.000	0.000
58	A	84	ASP	-1	-0.779	-0.858	22.023	-0.061	-0.061	0.000	0.000	0.000	0.000
59	A	85	LEU	0	0.007	-0.012	16.933	-0.011	-0.011	0.000	0.000	0.000	0.000
60	A	86	HIS	0	-0.033	0.002	21.082	0.015	0.015	0.000	0.000	0.000	0.000
61	A	87	TYR	0	0.022	0.027	19.962	-0.010	-0.010	0.000	0.000	0.000	0.000
62	A	88	TRP	0	-0.042	-0.020	21.593	0.007	0.007	0.000	0.000	0.000	0.000
63	A	89	LEU	0	-0.017	-0.024	23.301	0.005	0.005	0.000	0.000	0.000	0.000
64	A	90	GLY	0	0.057	0.038	25.785	-0.002	-0.002	0.000	0.000	0.000	0.000
65	A	91	ASN	0	0.014	-0.027	28.048	0.007	0.007	0.000	0.000	0.000	0.000
66	A	92	GLU	-1	-0.980	-0.977	30.168	0.015	0.015	0.000	0.000	0.000	0.000
67	A	93	CYS	0	-0.078	-0.022	24.518	0.002	0.002	0.000	0.000	0.000	0.000
68	A	94	SER	0	-0.006	-0.002	23.883	0.006	0.006	0.000	0.000	0.000	0.000
69	A	95	GLN	0	0.008	-0.010	22.627	0.003	0.003	0.000	0.000	0.000	0.000
70	A	96	ASP	-1	-0.881	-0.938	20.251	0.132	0.132	0.000	0.000	0.000	0.000
71	A	97	GLU	-1	-0.891	-0.951	19.007	0.052	0.052	0.000	0.000	0.000	0.000
72	A	98	SER	0	-0.022	-0.024	19.514	-0.003	-0.003	0.000	0.000	0.000	0.000
73	A	99	GLY	0	0.008	0.012	19.721	-0.003	-0.003	0.000	0.000	0.000	0.000
74	A	100	ALA	0	0.019	0.006	15.398	0.012	0.012	0.000	0.000	0.000	0.000
75	A	101	ALA	0	0.008	0.010	15.449	-0.010	-0.010	0.000	0.000	0.000	0.000
76	A	102	ALA	0	-0.018	-0.007	17.289	-0.015	-0.015	0.000	0.000	0.000	0.000
77	A	103	ILE	0	-0.017	-0.011	12.635	0.002	0.002	0.000	0.000	0.000	0.000
78	A	104	PHE	0	0.051	0.011	9.585	0.017	0.017	0.000	0.000	0.000	0.000
79	A	105	THR	0	-0.016	-0.005	13.765	-0.047	-0.047	0.000	0.000	0.000	0.000
80	A	106	VAL	0	-0.042	-0.023	15.187	-0.021	-0.021	0.000	0.000	0.000	0.000
81	A	107	GLN	0	-0.016	-0.022	10.160	-0.010	-0.010	0.000	0.000	0.000	0.000
82	A	108	LEU	0	0.012	0.022	11.567	-0.040	-0.040	0.000	0.000	0.000	0.000
83	A	109	ASP	-1	-0.879	-0.959	13.195	-0.084	-0.084	0.000	0.000	0.000	0.000
84	A	110	ASP	-1	-0.910	-0.952	11.909	0.166	0.166	0.000	0.000	0.000	0.000
85	A	111	TYR	0	0.015	0.022	7.351	0.074	0.074	0.000	0.000	0.000	0.000
86	A	112	LEU	0	-0.054	-0.012	11.022	-0.070	-0.070	0.000	0.000	0.000	0.000
87	A	113	ASN	0	-0.087	-0.056	13.724	0.031	0.031	0.000	0.000	0.000	0.000
88	A	114	GLY	0	-0.019	-0.007	15.495	0.022	0.022	0.000	0.000	0.000	0.000
89	A	115	ARG	1	0.884	0.944	17.725	0.148	0.148	0.000	0.000	0.000	0.000
90	A	116	ALA	0	-0.013	0.006	19.038	-0.005	-0.005	0.000	0.000	0.000	0.000
91	A	117	VAL	0	-0.039	-0.010	20.863	0.021	0.021	0.000	0.000	0.000	0.000
92	A	118	GLN	0	-0.019	-0.009	18.785	0.003	0.003	0.000	0.000	0.000	0.000
93	A	119	HIS	1	0.803	0.890	23.338	0.057	0.057	0.000	0.000	0.000	0.000
94	A	120	ARG	1	0.913	0.984	23.960	-0.024	-0.024	0.000	0.000	0.000	0.000
95	A	121	GLU	-1	-0.750	-0.847	25.696	-0.035	-0.035	0.000	0.000	0.000	0.000
96	A	122	VAL	0	-0.008	-0.009	27.011	0.003	0.003	0.000	0.000	0.000	0.000
97	A	123	GLN	0	0.068	0.049	29.594	-0.001	-0.001	0.000	0.000	0.000	0.000
98	A	124	GLY	0	-0.068	-0.026	31.112	0.004	0.004	0.000	0.000	0.000	0.000
99	A	125	PHE	0	-0.033	-0.025	33.051	0.001	0.001	0.000	0.000	0.000	0.000
100	A	126	GLU	-1	-0.761	-0.878	29.902	-0.024	-0.024	0.000	0.000	0.000	0.000
101	A	127	SER	0	-0.047	-0.062	29.609	-0.002	-0.002	0.000	0.000	0.000	0.000
102	A	128	ALA	0	0.054	0.021	32.237	-0.004	-0.004	0.000	0.000	0.000	0.000
103	A	129	THR	0	-0.041	-0.028	28.870	-0.001	-0.001	0.000	0.000	0.000	0.000
104	A	130	PHE	0	-0.002	-0.003	24.790	-0.006	-0.006	0.000	0.000	0.000	0.000
105	A	131	LEU	0	0.003	-0.007	29.183	-0.005	-0.005	0.000	0.000	0.000	0.000
106	A	132	GLY	0	-0.001	0.011	32.074	-0.001	-0.001	0.000	0.000	0.000	0.000
107	A	133	TYR	0	-0.118	-0.096	25.796	-0.005	-0.005	0.000	0.000	0.000	0.000
108	A	134	PHE	0	-0.009	-0.009	25.859	-0.007	-0.007	0.000	0.000	0.000	0.000
109	A	135	LYS	1	0.913	0.979	31.353	0.054	0.054	0.000	0.000	0.000	0.000
110	A	136	SER	0	-0.025	-0.018	33.656	0.004	0.004	0.000	0.000	0.000	0.000
111	A	137	GLY	0	0.029	0.023	33.955	0.004	0.004	0.000	0.000	0.000	0.000
112	A	138	LEU	0	-0.075	-0.036	30.301	-0.005	-0.005	0.000	0.000	0.000	0.000
113	A	139	LYS	1	0.870	0.952	31.082	0.055	0.055	0.000	0.000	0.000	0.000
114	A	140	TYR	0	-0.021	-0.006	30.382	-0.001	-0.001	0.000	0.000	0.000	0.000
115	A	141	LYS	1	0.898	0.944	28.297	0.042	0.042	0.000	0.000	0.000	0.000
116	A	142	LYS	1	0.982	0.976	30.666	0.008	0.008	0.000	0.000	0.000	0.000
117	A	143	GLY	0	0.027	0.001	29.584	-0.002	-0.002	0.000	0.000	0.000	0.000
118	A	144	GLY	0	0.055	0.006	25.494	-0.001	-0.001	0.000	0.000	0.000	0.000
119	A	145	VAL	0	0.016	-0.002	19.838	0.000	0.000	0.000	0.000	0.000	0.000
120	A	146	ALA	0	-0.037	-0.011	23.062	0.003	0.003	0.000	0.000	0.000	0.000
121	A	147	SER	0	-0.047	-0.029	25.095	0.002	0.002	0.000	0.000	0.000	0.000
122	A	148	GLY	0	-0.026	-0.001	24.779	-0.002	-0.002	0.000	0.000	0.000	0.000
123	A	149	PHE	0	-0.047	0.011	25.802	-0.004	-0.004	0.000	0.000	0.000	0.000
124	A	150	LYS	1	0.982	0.987	20.979	0.042	0.042	0.000	0.000	0.000	0.000
125	A	151	HIS	0	0.046	0.064	21.757	0.004	0.004	0.000	0.000	0.000	0.000
126	A	152	VAL	0	-0.016	-0.007	23.778	-0.010	-0.010	0.000	0.000	0.000	0.000
127	A	153	VAL	0	0.025	0.009	26.064	0.006	0.006	0.000	0.000	0.000	0.000
128	A	154	PRO	0	-0.029	-0.009	28.270	-0.003	-0.003	0.000	0.000	0.000	0.000
129	A	155	ASN	0	0.015	0.006	30.145	0.001	0.001	0.000	0.000	0.000	0.000
130	A	156	GLU	-1	-0.954	-0.973	33.360	-0.037	-0.037	0.000	0.000	0.000	0.000
131	A	157	VAL	0	-0.032	-0.017	32.244	0.001	0.001	0.000	0.000	0.000	0.000
132	A	158	VAL	0	-0.003	0.005	35.259	0.001	0.001	0.000	0.000	0.000	0.000
133	A	159	VAL	0	-0.027	0.000	35.850	0.000	0.000	0.000	0.000	0.000	0.000
134	A	160	GLN	0	0.005	0.000	37.635	0.002	0.002	0.000	0.000	0.000	0.000
135	A	161	ARG	1	0.745	0.866	32.928	0.038	0.038	0.000	0.000	0.000	0.000
136	A	162	LEU	0	0.028	0.015	38.980	-0.001	-0.001	0.000	0.000	0.000	0.000
137	A	163	LEU	0	-0.035	-0.010	35.495	0.000	0.000	0.000	0.000	0.000	0.000
138	A	164	GLN	0	-0.005	0.004	39.615	0.001	0.001	0.000	0.000	0.000	0.000
139	A	165	VAL	0	-0.015	-0.022	40.028	-0.001	-0.001	0.000	0.000	0.000	0.000
140	A	166	LYS	1	0.913	0.957	40.506	0.014	0.014	0.000	0.000	0.000	0.000
141	A	167	GLY	0	0.017	0.014	40.519	-0.002	-0.002	0.000	0.000	0.000	0.000
142	A	168	ARG	1	0.790	0.898	42.236	0.020	0.020	0.000	0.000	0.000	0.000
143	A	169	ARG	1	0.891	0.948	41.005	0.022	0.022	0.000	0.000	0.000	0.000
144	A	170	VAL	0	0.026	0.020	36.060	-0.003	-0.003	0.000	0.000	0.000	0.000
145	A	171	VAL	0	-0.002	0.009	37.275	0.003	0.003	0.000	0.000	0.000	0.000
146	A	172	ARG	1	0.889	0.939	34.396	0.021	0.021	0.000	0.000	0.000	0.000
147	A	173	ALA	0	0.014	0.010	35.677	0.003	0.003	0.000	0.000	0.000	0.000
148	A	174	THR	0	0.006	0.002	35.092	-0.002	-0.002	0.000	0.000	0.000	0.000
149	A	175	GLU	-1	-0.817	-0.892	33.464	-0.026	-0.026	0.000	0.000	0.000	0.000
150	A	176	VAL	0	-0.032	-0.011	36.713	0.003	0.003	0.000	0.000	0.000	0.000
151	A	177	PRO	0	-0.025	-0.026	39.686	-0.001	-0.001	0.000	0.000	0.000	0.000
152	A	178	VAL	0	0.043	0.020	41.056	-0.001	-0.001	0.000	0.000	0.000	0.000
153	A	179	SER	0	0.027	0.011	43.496	0.001	0.001	0.000	0.000	0.000	0.000
154	A	180	TRP	0	0.066	0.007	46.964	-0.001	-0.001	0.000	0.000	0.000	0.000
155	A	181	GLU	-1	-0.986	-0.996	48.068	-0.002	-0.002	0.000	0.000	0.000	0.000
156	A	182	SER	0	-0.066	-0.031	44.022	0.001	0.001	0.000	0.000	0.000	0.000
157	A	183	PHE	0	-0.030	-0.013	46.192	-0.001	-0.001	0.000	0.000	0.000	0.000
158	A	184	ASN	0	-0.033	-0.022	47.413	0.001	0.001	0.000	0.000	0.000	0.000
159	A	185	ASN	0	0.013	-0.007	50.817	-0.001	-0.001	0.000	0.000	0.000	0.000
160	A	186	GLY	0	0.007	0.012	51.200	0.000	0.000	0.000	0.000	0.000	0.000
161	A	187	ASP	-1	-0.753	-0.857	45.733	-0.015	-0.015	0.000	0.000	0.000	0.000
162	A	188	CYS	0	-0.088	-0.021	45.320	-0.001	-0.001	0.000	0.000	0.000	0.000
163	A	189	PHE	0	-0.009	-0.012	43.825	0.000	0.000	0.000	0.000	0.000	0.000
164	A	190	ILE	0	-0.010	-0.006	40.131	-0.001	-0.001	0.000	0.000	0.000	0.000
165	A	191	LEU	0	0.009	0.010	41.743	0.000	0.000	0.000	0.000	0.000	0.000
166	A	192	ASP	-1	-0.740	-0.846	37.190	-0.036	-0.036	0.000	0.000	0.000	0.000
167	A	193	LEU	0	0.007	-0.008	40.305	0.001	0.001	0.000	0.000	0.000	0.000
168	A	194	GLY	0	0.013	-0.005	38.484	0.000	0.000	0.000	0.000	0.000	0.000
169	A	195	ASN	0	-0.011	-0.015	39.552	-0.004	-0.004	0.000	0.000	0.000	0.000
170	A	196	ASN	0	-0.029	-0.010	41.762	-0.001	-0.001	0.000	0.000	0.000	0.000
171	A	197	ILE	0	-0.003	0.003	39.241	0.001	0.001	0.000	0.000	0.000	0.000
172	A	198	TYR	0	0.021	0.006	43.215	0.000	0.000	0.000	0.000	0.000	0.000
173	A	199	GLN	0	0.017	0.033	44.687	-0.001	-0.001	0.000	0.000	0.000	0.000
174	A	200	TRP	0	0.036	0.010	46.197	0.000	0.000	0.000	0.000	0.000	0.000
175	A	202	GLY	0	0.049	0.020	49.983	0.001	0.001	0.000	0.000	0.000	0.000
176	A	203	SER	0	-0.028	-0.053	52.353	-0.001	-0.001	0.000	0.000	0.000	0.000
177	A	204	LYS	1	0.844	0.932	54.587	0.009	0.009	0.000	0.000	0.000	0.000
178	A	205	SER	0	0.021	0.056	50.309	-0.001	-0.001	0.000	0.000	0.000	0.000
179	A	206	ASN	0	0.017	-0.003	50.842	-0.001	-0.001	0.000	0.000	0.000	0.000
180	A	207	ARG	1	0.941	0.947	50.679	0.020	0.020	0.000	0.000	0.000	0.000
181	A	208	PHE	0	0.027	0.014	45.541	-0.001	-0.001	0.000	0.000	0.000	0.000
182	A	209	GLU	-1	-0.847	-0.929	46.275	-0.020	-0.020	0.000	0.000	0.000	0.000
183	A	210	ARG	1	0.905	0.910	45.741	0.017	0.017	0.000	0.000	0.000	0.000
184	A	211	LEU	0	-0.021	0.013	45.538	-0.002	-0.002	0.000	0.000	0.000	0.000
185	A	212	LYS	1	0.918	0.962	41.059	0.034	0.034	0.000	0.000	0.000	0.000
186	A	213	ALA	0	-0.005	-0.004	41.704	-0.002	-0.002	0.000	0.000	0.000	0.000
187	A	214	THR	0	0.026	-0.003	42.004	-0.001	-0.001	0.000	0.000	0.000	0.000
188	A	215	GLN	0	-0.045	-0.024	39.295	-0.001	-0.001	0.000	0.000	0.000	0.000
189	A	216	VAL	0	0.017	0.023	36.748	-0.003	-0.003	0.000	0.000	0.000	0.000
190	A	217	SER	0	-0.010	-0.028	37.749	-0.002	-0.002	0.000	0.000	0.000	0.000
191	A	218	LYS	1	0.898	0.964	39.437	0.041	0.041	0.000	0.000	0.000	0.000
192	A	219	GLY	0	0.028	0.019	35.822	-0.003	-0.003	0.000	0.000	0.000	0.000
193	A	220	ILE	0	-0.071	-0.026	34.847	-0.003	-0.003	0.000	0.000	0.000	0.000
194	A	221	ARG	1	0.865	0.925	35.730	0.044	0.044	0.000	0.000	0.000	0.000
195	A	222	ASP	-1	-0.808	-0.899	35.930	-0.055	-0.055	0.000	0.000	0.000	0.000
196	A	223	ASN	0	-0.031	-0.011	30.895	-0.007	-0.007	0.000	0.000	0.000	0.000
197	A	224	GLU	-1	-0.835	-0.903	30.911	-0.054	-0.054	0.000	0.000	0.000	0.000
198	A	225	ARG	1	0.793	0.877	32.659	0.043	0.043	0.000	0.000	0.000	0.000
199	A	226	SER	0	-0.041	-0.026	32.818	-0.001	-0.001	0.000	0.000	0.000	0.000
200	A	227	GLY	0	0.011	-0.008	34.968	0.000	0.000	0.000	0.000	0.000	0.000
201	A	228	ARG	1	0.847	0.930	37.770	0.049	0.049	0.000	0.000	0.000	0.000
202	A	229	ALA	0	0.011	-0.011	39.781	0.001	0.001	0.000	0.000	0.000	0.000
203	A	230	GLN	0	0.006	0.022	41.602	-0.002	-0.002	0.000	0.000	0.000	0.000
204	A	231	VAL	0	0.011	0.004	42.461	0.001	0.001	0.000	0.000	0.000	0.000
205	A	232	SER	0	-0.045	-0.014	45.250	0.001	0.001	0.000	0.000	0.000	0.000
206	A	233	VAL	0	0.014	-0.003	47.992	0.000	0.000	0.000	0.000	0.000	0.000
207	A	234	PHE	0	-0.006	-0.016	49.464	0.001	0.001	0.000	0.000	0.000	0.000
208	A	235	GLU	-1	-0.913	-0.960	51.392	-0.018	-0.018	0.000	0.000	0.000	0.000
209	A	236	GLU	-1	-0.808	-0.897	53.941	-0.011	-0.011	0.000	0.000	0.000	0.000
210	A	237	GLY	0	-0.047	-0.021	55.059	0.000	0.000	0.000	0.000	0.000	0.000
211	A	238	ALA	0	-0.034	-0.008	56.224	0.000	0.000	0.000	0.000	0.000	0.000
212	A	239	GLU	-1	-0.852	-0.932	53.215	-0.014	-0.014	0.000	0.000	0.000	0.000
213	A	240	PRO	0	-0.013	-0.001	51.174	0.001	0.001	0.000	0.000	0.000	0.000
214	A	241	GLU	-1	-0.894	-0.962	53.757	-0.013	-0.013	0.000	0.000	0.000	0.000
215	A	242	ALA	0	-0.004	0.002	48.971	0.001	0.001	0.000	0.000	0.000	0.000
216	A	243	MET	0	-0.008	-0.003	48.280	0.000	0.000	0.000	0.000	0.000	0.000
217	A	244	LEU	0	0.029	0.002	50.109	0.001	0.001	0.000	0.000	0.000	0.000
218	A	245	GLN	0	-0.089	-0.021	51.028	0.000	0.000	0.000	0.000	0.000	0.000
219	A	246	VAL	0	-0.033	-0.021	45.900	0.001	0.001	0.000	0.000	0.000	0.000
220	A	247	LEU	0	-0.043	-0.006	46.705	0.001	0.001	0.000	0.000	0.000	0.000
221	A	248	GLY	0	0.022	0.027	49.960	0.001	0.001	0.000	0.000	0.000	0.000
222	A	249	PRO	0	-0.043	-0.029	53.615	-0.001	-0.001	0.000	0.000	0.000	0.000
223	A	250	LYS	1	0.930	0.978	54.937	0.010	0.010	0.000	0.000	0.000	0.000
224	A	251	PRO	0	-0.025	0.009	54.285	0.000	0.000	0.000	0.000	0.000	0.000
225	A	252	THR	0	-0.015	-0.021	57.104	-0.001	-0.001	0.000	0.000	0.000	0.000
226	A	253	LEU	0	-0.046	-0.024	52.652	0.000	0.000	0.000	0.000	0.000	0.000
227	A	254	PRO	0	0.016	0.007	52.278	0.000	0.000	0.000	0.000	0.000	0.000
228	A	255	GLU	-1	-0.830	-0.914	53.802	-0.009	-0.009	0.000	0.000	0.000	0.000
229	A	256	ALA	0	-0.008	-0.003	49.107	0.000	0.000	0.000	0.000	0.000	0.000
230	A	257	THR	0	-0.008	-0.011	47.766	0.000	0.000	0.000	0.000	0.000	0.000
231	A	258	GLU	-1	-0.912	-0.942	47.742	-0.012	-0.012	0.000	0.000	0.000	0.000
232	A	259	ASP	-1	-0.941	-0.976	47.971	-0.004	-0.004	0.000	0.000	0.000	0.000
233	A	260	THR	0	-0.107	-0.067	42.249	0.001	0.001	0.000	0.000	0.000	0.000
234	A	261	VAL	0	-0.023	-0.035	40.371	0.001	0.001	0.000	0.000	0.000	0.000
235	A	262	LYS	1	0.937	1.000	43.687	0.001	0.001	0.000	0.000	0.000	0.000
236	A	263	GLU	-1	-0.873	-0.930	42.355	-0.013	-0.013	0.000	0.000	0.000	0.000
237	A	264	ASP	-1	-0.859	-0.957	46.159	-0.004	-0.004	0.000	0.000	0.000	0.000
238	A	265	ALA	0	-0.059	-0.019	45.131	0.001	0.001	0.000	0.000	0.000	0.000
239	A	266	ALA	0	-0.018	-0.013	47.244	-0.001	-0.001	0.000	0.000	0.000	0.000
240	A	267	ASN	0	-0.026	-0.007	49.453	-0.001	-0.001	0.000	0.000	0.000	0.000
241	A	268	ARG	1	0.935	0.957	45.167	0.002	0.002	0.000	0.000	0.000	0.000
242	A	269	LYS	1	0.910	0.981	45.383	0.005	0.005	0.000	0.000	0.000	0.000
243	A	270	LEU	0	-0.034	-0.021	45.860	0.000	0.000	0.000	0.000	0.000	0.000
244	A	271	ALA	0	0.016	0.017	40.748	0.000	0.000	0.000	0.000	0.000	0.000
245	A	272	LYS	1	0.899	0.960	41.140	-0.013	-0.013	0.000	0.000	0.000	0.000
246	A	273	LEU	0	-0.009	0.004	36.253	0.000	0.000	0.000	0.000	0.000	0.000
247	A	274	TYR	0	0.008	-0.011	36.445	0.002	0.002	0.000	0.000	0.000	0.000
248	A	275	LYS	1	0.930	0.986	34.468	-0.039	-0.039	0.000	0.000	0.000	0.000
249	A	276	VAL	0	-0.040	-0.028	30.513	0.002	0.002	0.000	0.000	0.000	0.000
250	A	277	SER	0	0.028	0.009	30.432	-0.001	-0.001	0.000	0.000	0.000	0.000
251	A	278	ASN	0	-0.077	-0.023	28.673	0.003	0.003	0.000	0.000	0.000	0.000
252	A	279	GLY	0	0.072	0.046	26.085	0.003	0.003	0.000	0.000	0.000	0.000
253	A	280	ALA	0	0.066	0.012	24.338	0.012	0.012	0.000	0.000	0.000	0.000
254	A	281	GLY	0	0.032	0.042	26.488	-0.004	-0.004	0.000	0.000	0.000	0.000
255	A	282	PRO	0	-0.023	0.002	29.320	-0.008	-0.008	0.000	0.000	0.000	0.000
256	A	283	MET	0	-0.012	-0.029	31.258	-0.001	-0.001	0.000	0.000	0.000	0.000
257	A	284	VAL	0	-0.010	-0.005	32.646	-0.006	-0.006	0.000	0.000	0.000	0.000
258	A	285	VAL	0	0.005	-0.006	34.652	0.000	0.000	0.000	0.000	0.000	0.000
259	A	286	SER	0	-0.018	-0.009	36.902	-0.002	-0.002	0.000	0.000	0.000	0.000
260	A	287	LEU	0	0.020	0.008	39.200	-0.001	-0.001	0.000	0.000	0.000	0.000
261	A	288	VAL	0	-0.044	-0.015	38.461	0.001	0.001	0.000	0.000	0.000	0.000
262	A	289	ALA	0	-0.030	-0.025	41.679	-0.002	-0.002	0.000	0.000	0.000	0.000
263	A	290	ASP	-1	-0.895	-0.959	43.071	0.013	0.013	0.000	0.000	0.000	0.000
264	A	291	GLU	-1	-0.949	-0.966	45.745	0.003	0.003	0.000	0.000	0.000	0.000
265	A	292	ASN	0	-0.032	0.018	43.050	0.002	0.002	0.000	0.000	0.000	0.000
266	A	293	PRO	0	-0.005	-0.038	44.293	0.000	0.000	0.000	0.000	0.000	0.000
267	A	294	PHE	0	0.058	0.036	39.926	0.002	0.002	0.000	0.000	0.000	0.000
268	A	295	ALA	0	-0.019	-0.011	42.471	-0.002	-0.002	0.000	0.000	0.000	0.000
269	A	296	GLN	0	0.062	0.017	36.046	0.001	0.001	0.000	0.000	0.000	0.000
270	A	297	GLY	0	-0.026	-0.017	37.907	0.001	0.001	0.000	0.000	0.000	0.000
271	A	298	ALA	0	-0.034	-0.009	38.848	0.002	0.002	0.000	0.000	0.000	0.000
272	A	299	LEU	0	-0.015	0.005	33.558	0.003	0.003	0.000	0.000	0.000	0.000
273	A	300	ARG	1	0.930	0.973	34.182	-0.024	-0.024	0.000	0.000	0.000	0.000
274	A	301	SER	0	0.052	-0.019	29.591	0.002	0.002	0.000	0.000	0.000	0.000
275	A	302	GLU	-1	-0.931	-0.963	28.814	0.029	0.029	0.000	0.000	0.000	0.000
276	A	303	ASP	-1	-0.910	-0.956	29.579	0.048	0.048	0.000	0.000	0.000	0.000
277	A	304	CYS	0	0.012	0.010	27.091	-0.005	-0.005	0.000	0.000	0.000	0.000
278	A	305	PHE	0	-0.014	-0.019	29.806	0.001	0.001	0.000	0.000	0.000	0.000
279	A	306	ILE	0	-0.004	0.005	31.394	-0.001	-0.001	0.000	0.000	0.000	0.000
280	A	307	LEU	0	-0.044	-0.012	33.580	0.000	0.000	0.000	0.000	0.000	0.000
281	A	308	ASP	-1	-0.799	-0.904	35.515	0.015	0.015	0.000	0.000	0.000	0.000
282	A	309	HIS	0	0.034	0.005	37.329	0.001	0.001	0.000	0.000	0.000	0.000
283	A	310	GLY	0	0.074	0.038	38.088	-0.002	-0.002	0.000	0.000	0.000	0.000
284	A	311	LYS	1	0.846	0.919	39.007	-0.012	-0.012	0.000	0.000	0.000	0.000
285	A	312	ASP	-1	-0.896	-0.951	40.439	-0.009	-0.009	0.000	0.000	0.000	0.000
286	A	313	GLY	0	-0.003	0.019	37.884	-0.002	-0.002	0.000	0.000	0.000	0.000
287	A	314	LYS	1	0.918	0.954	32.597	0.016	0.016	0.000	0.000	0.000	0.000
288	A	315	ILE	0	-0.004	0.007	31.053	0.001	0.001	0.000	0.000	0.000	0.000
289	A	316	PHE	0	-0.016	-0.025	31.290	-0.003	-0.003	0.000	0.000	0.000	0.000
290	A	317	VAL	0	0.013	0.015	27.220	0.004	0.004	0.000	0.000	0.000	0.000
291	A	318	TRP	0	-0.051	-0.034	28.324	-0.003	-0.003	0.000	0.000	0.000	0.000
292	A	319	LYS	1	0.980	0.972	20.925	-0.007	-0.007	0.000	0.000	0.000	0.000
293	A	320	GLY	0	0.057	0.044	26.697	-0.008	-0.008	0.000	0.000	0.000	0.000
294	A	321	LYS	1	0.936	0.945	24.827	0.017	0.017	0.000	0.000	0.000	0.000
295	A	322	GLN	0	-0.127	-0.059	24.571	-0.002	-0.002	0.000	0.000	0.000	0.000
296	A	323	ALA	0	0.012	0.027	25.189	0.007	0.007	0.000	0.000	0.000	0.000
297	A	324	ASN	0	0.058	0.013	23.256	0.008	0.008	0.000	0.000	0.000	0.000
298	A	325	MET	0	-0.003	-0.008	16.612	-0.002	-0.002	0.000	0.000	0.000	0.000
299	A	326	GLU	-1	-0.973	-0.993	19.893	0.195	0.195	0.000	0.000	0.000	0.000
300	A	327	GLU	-1	-0.858	-0.937	21.325	0.081	0.081	0.000	0.000	0.000	0.000
301	A	328	ARG	1	0.889	0.962	18.969	-0.082	-0.082	0.000	0.000	0.000	0.000
302	A	329	LYS	1	0.849	0.911	13.825	-0.241	-0.241	0.000	0.000	0.000	0.000
303	A	330	ALA	0	0.063	0.053	19.397	0.009	0.009	0.000	0.000	0.000	0.000
304	A	331	ALA	0	0.011	0.016	22.196	-0.010	-0.010	0.000	0.000	0.000	0.000
305	A	332	LEU	0	0.028	0.008	20.316	-0.007	-0.007	0.000	0.000	0.000	0.000
306	A	333	LYS	1	0.871	0.936	23.075	-0.112	-0.112	0.000	0.000	0.000	0.000
307	A	334	THR	0	0.006	-0.012	24.794	-0.005	-0.005	0.000	0.000	0.000	0.000
308	A	335	ALA	0	0.006	-0.007	27.111	-0.005	-0.005	0.000	0.000	0.000	0.000
309	A	336	SER	0	-0.024	-0.002	26.630	-0.006	-0.006	0.000	0.000	0.000	0.000
310	A	337	ASP	-1	-0.836	-0.930	28.854	0.076	0.076	0.000	0.000	0.000	0.000
311	A	338	PHE	0	-0.062	-0.037	30.989	-0.003	-0.003	0.000	0.000	0.000	0.000
312	A	339	ILE	0	0.018	-0.001	30.907	-0.003	-0.003	0.000	0.000	0.000	0.000
313	A	340	SER	0	-0.027	0.004	32.316	-0.002	-0.002	0.000	0.000	0.000	0.000
314	A	341	LYS	1	0.860	0.948	34.871	-0.054	-0.054	0.000	0.000	0.000	0.000
315	A	342	MET	0	-0.065	-0.027	36.753	-0.001	-0.001	0.000	0.000	0.000	0.000
316	A	343	ASP	-1	-0.991	-0.982	38.053	0.023	0.023	0.000	0.000	0.000	0.000
317	A	344	TYR	0	-0.085	-0.057	36.098	-0.004	-0.004	0.000	0.000	0.000	0.000
318	A	345	PRO	0	0.030	0.012	36.769	0.002	0.002	0.000	0.000	0.000	0.000
319	A	346	LYS	1	1.020	1.014	32.314	-0.026	-0.026	0.000	0.000	0.000	0.000
320	A	347	GLN	0	-0.003	-0.008	32.039	0.004	0.004	0.000	0.000	0.000	0.000
321	A	348	THR	0	-0.017	-0.012	33.495	-0.005	-0.005	0.000	0.000	0.000	0.000
322	A	349	GLN	0	0.001	-0.002	31.329	0.000	0.000	0.000	0.000	0.000	0.000
323	A	350	VAL	0	0.015	0.007	27.314	0.003	0.003	0.000	0.000	0.000	0.000
324	A	351	SER	0	-0.041	-0.023	27.478	-0.010	-0.010	0.000	0.000	0.000	0.000
325	A	352	VAL	0	-0.026	0.002	23.274	0.006	0.006	0.000	0.000	0.000	0.000
326	A	353	LEU	0	0.005	-0.014	25.180	-0.011	-0.011	0.000	0.000	0.000	0.000
327	A	354	PRO	0	-0.018	0.009	23.076	0.013	0.013	0.000	0.000	0.000	0.000
328	A	355	GLU	-1	-0.782	-0.865	25.231	-0.004	-0.004	0.000	0.000	0.000	0.000
329	A	356	GLY	0	-0.073	-0.041	26.604	-0.004	-0.004	0.000	0.000	0.000	0.000
330	A	357	GLY	0	-0.005	-0.008	26.462	-0.008	-0.008	0.000	0.000	0.000	0.000
331	A	358	GLU	-1	-0.863	-0.923	27.518	-0.024	-0.024	0.000	0.000	0.000	0.000
332	A	359	THR	0	0.037	0.020	29.493	-0.002	-0.002	0.000	0.000	0.000	0.000
333	A	360	PRO	0	0.015	-0.011	31.904	0.005	0.005	0.000	0.000	0.000	0.000
334	A	361	LEU	0	0.010	-0.001	34.269	0.003	0.003	0.000	0.000	0.000	0.000
335	A	362	PHE	0	0.006	0.035	33.037	0.004	0.004	0.000	0.000	0.000	0.000
336	A	363	ARG	1	0.918	0.932	34.252	0.035	0.035	0.000	0.000	0.000	0.000
337	A	364	GLN	0	-0.053	-0.028	36.955	0.001	0.001	0.000	0.000	0.000	0.000
338	A	365	PHE	0	0.019	0.022	37.860	0.002	0.002	0.000	0.000	0.000	0.000
339	A	366	PHE	0	-0.019	-0.009	36.486	0.003	0.003	0.000	0.000	0.000	0.000
340	A	367	LYS	1	0.906	0.952	41.455	0.001	0.001	0.000	0.000	0.000	0.000
341	A	368	ASN	0	-0.035	-0.025	43.807	0.000	0.000	0.000	0.000	0.000	0.000
342	A	369	TRP	0	-0.016	-0.010	33.601	0.002	0.002	0.000	0.000	0.000	0.000
343	A	370	ARG	1	0.878	0.929	39.583	0.010	0.010	0.000	0.000	0.000	0.000
344	A	371	ASP	-1	-0.737	-0.851	34.556	-0.029	-0.029	0.000	0.000	0.000	0.000
345	A	372	PRO	0	-0.030	-0.013	34.408	-0.001	-0.001	0.000	0.000	0.000	0.000
346	A	373	ASP	-1	-0.973	-1.007	32.703	-0.044	-0.044	0.000	0.000	0.000	0.000
347	A	374	GLN	0	0.048	0.034	32.043	-0.005	-0.005	0.000	0.000	0.000	0.000
348	A	375	THR	0	-0.078	-0.033	36.450	0.000	0.000	0.000	0.000	0.000	0.000
349	A	376	GLU	-1	-0.891	-0.936	37.520	-0.041	-0.041	0.000	0.000	0.000	0.000
350	A	377	GLY	0	0.025	0.013	34.894	-0.001	-0.001	0.000	0.000	0.000	0.000
351	A	378	LEU	0	-0.033	-0.025	33.754	0.003	0.003	0.000	0.000	0.000	0.000
352	A	379	GLY	0	0.001	0.001	33.465	-0.003	-0.003	0.000	0.000	0.000	0.000
353	A	380	LEU	0	-0.033	-0.015	33.137	0.004	0.004	0.000	0.000	0.000	0.000
354	A	381	ALA	0	0.017	0.010	28.109	-0.006	-0.006	0.000	0.000	0.000	0.000
355	A	382	TYR	0	-0.033	-0.041	27.115	-0.003	-0.003	0.000	0.000	0.000	0.000
356	A	383	LEU	0	-0.012	-0.012	29.692	0.006	0.006	0.000	0.000	0.000	0.000
357	A	384	SER	0	-0.015	-0.010	30.595	-0.005	-0.005	0.000	0.000	0.000	0.000
358	A	385	SER	0	0.108	0.021	28.663	-0.004	-0.004	0.000	0.000	0.000	0.000
359	A	386	HIS	0	-0.045	-0.007	31.300	-0.006	-0.006	0.000	0.000	0.000	0.000
360	A	387	ILE	0	0.014	-0.003	34.478	0.003	0.003	0.000	0.000	0.000	0.000
361	A	388	ALA	0	-0.058	-0.029	31.328	0.000	0.000	0.000	0.000	0.000	0.000
362	A	389	HIS	0	-0.001	0.012	33.395	-0.004	-0.004	0.000	0.000	0.000	0.000
363	A	390	VAL	0	0.002	0.012	35.015	0.003	0.003	0.000	0.000	0.000	0.000
364	A	391	GLU	-1	-0.931	-0.960	37.984	-0.066	-0.066	0.000	0.000	0.000	0.000
365	A	392	ARG	1	0.838	0.918	36.323	0.062	0.062	0.000	0.000	0.000	0.000
366	A	393	VAL	0	0.025	0.025	41.284	-0.001	-0.001	0.000	0.000	0.000	0.000
367	A	394	PRO	0	-0.003	-0.007	44.256	0.003	0.003	0.000	0.000	0.000	0.000
368	A	395	PHE	0	0.023	-0.010	46.786	0.001	0.001	0.000	0.000	0.000	0.000
369	A	396	ASP	-1	-0.801	-0.908	50.460	-0.035	-0.035	0.000	0.000	0.000	0.000
370	A	397	ALA	0	0.006	-0.010	53.015	0.000	0.000	0.000	0.000	0.000	0.000
371	A	398	ALA	0	-0.021	0.002	56.304	0.001	0.001	0.000	0.000	0.000	0.000
372	A	399	THR	0	-0.005	-0.020	52.806	0.000	0.000	0.000	0.000	0.000	0.000
373	A	400	LEU	0	0.032	0.002	53.337	-0.001	-0.001	0.000	0.000	0.000	0.000
374	A	401	HIS	0	-0.062	-0.036	54.380	-0.001	-0.001	0.000	0.000	0.000	0.000
375	A	402	THR	0	0.002	-0.001	52.934	0.001	0.001	0.000	0.000	0.000	0.000
376	A	403	SER	0	-0.010	-0.003	48.670	-0.002	-0.002	0.000	0.000	0.000	0.000
377	A	404	THR	0	0.020	0.004	49.442	0.001	0.001	0.000	0.000	0.000	0.000
378	A	405	ALA	0	0.081	0.053	45.579	0.001	0.001	0.000	0.000	0.000	0.000
379	A	406	MET	0	-0.050	0.022	47.386	0.001	0.001	0.000	0.000	0.000	0.000
380	A	407	ALA	0	0.001	0.002	49.114	0.001	0.001	0.000	0.000	0.000	0.000
381	A	408	ALA	0	0.028	0.011	47.598	0.002	0.002	0.000	0.000	0.000	0.000
382	A	409	GLN	0	-0.052	-0.023	43.105	0.001	0.001	0.000	0.000	0.000	0.000
383	A	410	HIS	0	-0.098	-0.065	46.886	0.002	0.002	0.000	0.000	0.000	0.000
384	A	411	GLY	0	-0.029	0.009	49.938	0.002	0.002	0.000	0.000	0.000	0.000
385	A	412	MET	0	-0.068	0.006	52.262	0.002	0.002	0.000	0.000	0.000	0.000
386	A	413	ASP	-1	-0.769	-0.878	54.977	-0.027	-0.027	0.000	0.000	0.000	0.000
387	A	414	ASP	-1	-0.788	-0.872	56.792	-0.024	-0.024	0.000	0.000	0.000	0.000
388	A	415	ASP	-1	-0.866	-0.938	58.731	-0.024	-0.024	0.000	0.000	0.000	0.000
389	A	416	GLY	0	0.011	0.027	60.072	0.000	0.000	0.000	0.000	0.000	0.000
390	A	417	THR	0	-0.088	-0.060	62.612	0.001	0.001	0.000	0.000	0.000	0.000
391	A	418	GLY	0	-0.008	-0.025	65.381	0.000	0.000	0.000	0.000	0.000	0.000
392	A	419	GLN	0	-0.059	-0.040	67.107	0.001	0.001	0.000	0.000	0.000	0.000
393	A	420	LYS	1	0.924	0.961	67.930	0.016	0.016	0.000	0.000	0.000	0.000
394	A	421	GLN	0	-0.015	0.006	70.386	0.001	0.001	0.000	0.000	0.000	0.000
395	A	422	ILE	0	0.007	-0.001	70.091	0.000	0.000	0.000	0.000	0.000	0.000
396	A	423	TRP	0	0.015	0.010	72.160	0.000	0.000	0.000	0.000	0.000	0.000
397	A	424	ARG	1	0.861	0.909	73.042	0.009	0.009	0.000	0.000	0.000	0.000
398	A	425	VAL	0	-0.018	-0.011	72.973	0.000	0.000	0.000	0.000	0.000	0.000
399	A	426	GLU	-1	-0.817	-0.890	75.697	-0.008	-0.008	0.000	0.000	0.000	0.000
400	A	427	GLY	0	0.022	0.014	78.847	0.000	0.000	0.000	0.000	0.000	0.000
401	A	428	SER	0	-0.039	-0.023	77.991	0.000	0.000	0.000	0.000	0.000	0.000
402	A	429	ASN	0	-0.010	-0.011	79.075	0.000	0.000	0.000	0.000	0.000	0.000
403	A	430	LYS	1	0.959	0.992	74.225	0.011	0.011	0.000	0.000	0.000	0.000
404	A	431	VAL	0	0.021	0.008	77.658	0.000	0.000	0.000	0.000	0.000	0.000
405	A	432	PRO	0	-0.026	-0.008	77.657	0.000	0.000	0.000	0.000	0.000	0.000
406	A	433	VAL	0	-0.008	0.005	74.261	0.000	0.000	0.000	0.000	0.000	0.000
407	A	434	ASP	-1	-0.839	-0.921	77.283	-0.011	-0.011	0.000	0.000	0.000	0.000
408	A	435	PRO	0	0.035	-0.002	76.385	0.000	0.000	0.000	0.000	0.000	0.000
409	A	436	ALA	0	-0.023	0.002	75.808	-0.001	-0.001	0.000	0.000	0.000	0.000
410	A	437	THR	0	-0.065	-0.048	74.819	0.000	0.000	0.000	0.000	0.000	0.000
411	A	438	TYR	0	0.011	-0.003	71.574	0.000	0.000	0.000	0.000	0.000	0.000
412	A	439	GLY	0	0.013	0.015	68.442	0.000	0.000	0.000	0.000	0.000	0.000
413	A	440	GLN	0	-0.040	0.014	68.632	0.000	0.000	0.000	0.000	0.000	0.000
414	A	441	PHE	0	0.004	0.008	67.002	0.000	0.000	0.000	0.000	0.000	0.000
415	A	442	TYR	0	0.009	-0.006	70.254	0.000	0.000	0.000	0.000	0.000	0.000
416	A	443	GLY	0	-0.007	-0.021	69.034	0.000	0.000	0.000	0.000	0.000	0.000
417	A	444	GLY	0	0.013	0.013	69.815	0.000	0.000	0.000	0.000	0.000	0.000
418	A	445	ASP	-1	-0.696	-0.811	72.071	-0.009	-0.009	0.000	0.000	0.000	0.000
419	A	446	SER	0	0.037	0.012	69.703	0.000	0.000	0.000	0.000	0.000	0.000
420	A	447	TYR	0	-0.069	-0.031	69.243	0.000	0.000	0.000	0.000	0.000	0.000
421	A	448	ILE	0	0.042	0.031	68.735	0.000	0.000	0.000	0.000	0.000	0.000
422	A	449	ILE	0	-0.065	-0.040	66.414	0.000	0.000	0.000	0.000	0.000	0.000
423	A	450	LEU	0	0.034	0.050	67.313	0.000	0.000	0.000	0.000	0.000	0.000
424	A	451	TYR	0	-0.052	-0.052	62.588	0.000	0.000	0.000	0.000	0.000	0.000
425	A	452	ASN	0	0.020	0.016	65.772	0.000	0.000	0.000	0.000	0.000	0.000
426	A	453	TYR	0	0.039	0.023	59.523	0.000	0.000	0.000	0.000	0.000	0.000
427	A	454	ARG	1	0.911	0.961	62.666	0.021	0.021	0.000	0.000	0.000	0.000
428	A	455	HIS	1	0.874	0.933	54.106	0.031	0.031	0.000	0.000	0.000	0.000
429	A	456	GLY	0	0.024	0.018	57.956	-0.001	-0.001	0.000	0.000	0.000	0.000
430	A	457	SER	0	0.016	0.023	54.505	0.001	0.001	0.000	0.000	0.000	0.000
431	A	458	ARG	1	0.898	0.938	53.274	0.031	0.031	0.000	0.000	0.000	0.000
432	A	459	GLN	0	-0.024	-0.019	59.157	0.001	0.001	0.000	0.000	0.000	0.000
433	A	460	GLY	0	0.055	0.032	62.406	0.000	0.000	0.000	0.000	0.000	0.000
434	A	461	GLN	0	-0.030	-0.029	63.401	0.000	0.000	0.000	0.000	0.000	0.000
435	A	462	ILE	0	0.006	0.012	59.920	0.000	0.000	0.000	0.000	0.000	0.000
436	A	463	ILE	0	0.024	0.010	63.486	0.001	0.001	0.000	0.000	0.000	0.000
437	A	464	TYR	0	-0.040	-0.045	59.693	0.000	0.000	0.000	0.000	0.000	0.000
438	A	465	ASN	0	0.037	0.028	64.052	0.001	0.001	0.000	0.000	0.000	0.000
439	A	466	TRP	0	-0.018	-0.018	63.622	0.000	0.000	0.000	0.000	0.000	0.000
440	A	467	GLN	0	0.018	-0.016	64.626	0.000	0.000	0.000	0.000	0.000	0.000
441	A	468	GLY	0	0.024	0.015	65.243	0.000	0.000	0.000	0.000	0.000	0.000
442	A	469	ALA	0	-0.026	-0.040	64.796	0.000	0.000	0.000	0.000	0.000	0.000
443	A	470	GLN	0	-0.092	-0.047	66.502	0.000	0.000	0.000	0.000	0.000	0.000
444	A	471	SER	0	-0.032	0.006	69.686	0.000	0.000	0.000	0.000	0.000	0.000
445	A	472	THR	0	-0.005	-0.022	70.930	0.000	0.000	0.000	0.000	0.000	0.000
446	A	473	GLN	0	0.007	-0.018	67.836	0.000	0.000	0.000	0.000	0.000	0.000
447	A	474	ASP	-1	-0.828	-0.894	72.008	-0.007	-0.007	0.000	0.000	0.000	0.000
448	A	475	GLU	-1	-0.678	-0.822	74.208	-0.008	-0.008	0.000	0.000	0.000	0.000
449	A	476	VAL	0	-0.080	-0.022	67.383	-0.001	-0.001	0.000	0.000	0.000	0.000
450	A	477	ALA	0	-0.018	-0.001	69.822	-0.001	-0.001	0.000	0.000	0.000	0.000
451	A	478	ALA	0	0.030	0.014	70.871	0.000	0.000	0.000	0.000	0.000	0.000
452	A	479	SER	0	-0.035	-0.041	69.613	-0.001	-0.001	0.000	0.000	0.000	0.000
453	A	480	ALA	0	-0.015	0.001	67.072	-0.001	-0.001	0.000	0.000	0.000	0.000
454	A	481	ILE	0	0.022	0.016	68.526	0.000	0.000	0.000	0.000	0.000	0.000
455	A	482	LEU	0	-0.010	-0.007	70.939	0.000	0.000	0.000	0.000	0.000	0.000
456	A	483	THR	0	-0.074	-0.043	65.983	-0.001	-0.001	0.000	0.000	0.000	0.000
457	A	484	ALA	0	-0.013	-0.009	67.526	-0.001	-0.001	0.000	0.000	0.000	0.000
458	A	485	GLN	0	0.035	0.005	68.463	0.000	0.000	0.000	0.000	0.000	0.000
459	A	486	LEU	0	-0.049	-0.001	70.097	0.000	0.000	0.000	0.000	0.000	0.000
460	A	487	ASP	-1	-0.826	-0.940	65.198	-0.016	-0.016	0.000	0.000	0.000	0.000
461	A	488	GLU	-1	-0.910	-0.951	68.379	-0.012	-0.012	0.000	0.000	0.000	0.000
462	A	489	GLU	-1	-1.031	-0.998	70.184	-0.012	-0.012	0.000	0.000	0.000	0.000
463	A	490	LEU	0	-0.062	-0.050	68.810	0.000	0.000	0.000	0.000	0.000	0.000
464	A	491	GLY	0	-0.028	-0.008	69.057	-0.001	-0.001	0.000	0.000	0.000	0.000
465	A	492	GLY	0	-0.006	0.005	66.110	0.000	0.000	0.000	0.000	0.000	0.000
466	A	493	THR	0	-0.074	-0.038	63.567	-0.001	-0.001	0.000	0.000	0.000	0.000
467	A	494	PRO	0	-0.068	-0.026	62.772	-0.001	-0.001	0.000	0.000	0.000	0.000
468	A	495	VAL	0	0.040	0.035	58.475	0.000	0.000	0.000	0.000	0.000	0.000
469	A	496	GLN	0	0.023	0.009	60.554	0.001	0.001	0.000	0.000	0.000	0.000
470	A	497	SER	0	-0.003	0.000	58.177	0.000	0.000	0.000	0.000	0.000	0.000
471	A	498	ARG	1	0.871	0.939	57.859	0.014	0.014	0.000	0.000	0.000	0.000
472	A	499	VAL	0	-0.037	-0.007	59.480	0.000	0.000	0.000	0.000	0.000	0.000
473	A	500	VAL	0	0.006	0.006	60.095	0.001	0.001	0.000	0.000	0.000	0.000
474	A	501	GLN	0	0.054	0.032	60.882	0.000	0.000	0.000	0.000	0.000	0.000
475	A	502	GLY	0	-0.083	-0.072	60.143	0.001	0.001	0.000	0.000	0.000	0.000
476	A	503	LYS	1	0.830	0.908	52.088	0.017	0.017	0.000	0.000	0.000	0.000
477	A	504	GLU	-1	-0.726	-0.854	57.389	-0.015	-0.015	0.000	0.000	0.000	0.000
478	A	505	PRO	0	0.027	0.014	55.696	-0.001	-0.001	0.000	0.000	0.000	0.000
479	A	506	ALA	0	0.045	-0.021	53.935	0.000	0.000	0.000	0.000	0.000	0.000
480	A	507	HIS	0	0.055	0.029	56.020	0.001	0.001	0.000	0.000	0.000	0.000
481	A	508	LEU	0	-0.010	0.004	58.184	0.001	0.001	0.000	0.000	0.000	0.000
482	A	509	MET	0	-0.081	-0.029	55.831	0.001	0.001	0.000	0.000	0.000	0.000
483	A	510	SER	0	-0.030	-0.009	59.397	0.000	0.000	0.000	0.000	0.000	0.000
484	A	511	LEU	0	0.043	0.052	61.460	0.000	0.000	0.000	0.000	0.000	0.000
485	A	512	PHE	0	-0.028	-0.029	64.660	0.001	0.001	0.000	0.000	0.000	0.000
486	A	513	GLY	0	0.021	0.014	66.458	0.000	0.000	0.000	0.000	0.000	0.000
487	A	514	GLY	0	0.022	0.005	64.052	-0.001	-0.001	0.000	0.000	0.000	0.000
488	A	515	LYS	1	0.862	0.940	64.684	0.017	0.017	0.000	0.000	0.000	0.000
489	A	516	PRO	0	-0.008	0.018	63.462	0.000	0.000	0.000	0.000	0.000	0.000
490	A	517	MET	0	-0.014	-0.003	63.454	0.000	0.000	0.000	0.000	0.000	0.000
491	A	518	ILE	0	-0.017	-0.003	64.711	0.000	0.000	0.000	0.000	0.000	0.000
492	A	519	VAL	0	0.002	0.006	64.409	0.000	0.000	0.000	0.000	0.000	0.000
493	A	520	TYR	0	-0.024	-0.039	67.096	0.000	0.000	0.000	0.000	0.000	0.000
494	A	521	LYS	1	0.853	0.941	66.978	0.008	0.008	0.000	0.000	0.000	0.000
495	A	522	GLY	0	-0.016	-0.023	69.031	0.001	0.001	0.000	0.000	0.000	0.000
496	A	523	GLY	0	0.035	0.022	72.542	0.000	0.000	0.000	0.000	0.000	0.000
497	A	524	THR	0	-0.002	-0.017	74.563	0.000	0.000	0.000	0.000	0.000	0.000
498	A	525	SER	0	-0.073	-0.040	75.782	0.000	0.000	0.000	0.000	0.000	0.000
499	A	526	ARG	1	0.749	0.833	76.497	0.008	0.008	0.000	0.000	0.000	0.000
500	A	527	GLU	-1	-0.944	-0.962	80.486	-0.007	-0.007	0.000	0.000	0.000	0.000
501	A	528	GLY	0	0.050	0.007	83.393	0.000	0.000	0.000	0.000	0.000	0.000
502	A	529	GLY	0	0.016	0.036	80.194	0.000	0.000	0.000	0.000	0.000	0.000
503	A	530	GLN	0	-0.044	-0.032	81.204	0.000	0.000	0.000	0.000	0.000	0.000
504	A	531	THR	0	-0.019	-0.004	77.217	0.000	0.000	0.000	0.000	0.000	0.000
505	A	532	ALA	0	0.033	-0.014	75.899	0.000	0.000	0.000	0.000	0.000	0.000
506	A	533	PRO	0	-0.056	-0.006	75.691	0.000	0.000	0.000	0.000	0.000	0.000
507	A	534	ALA	0	0.009	0.004	74.595	0.000	0.000	0.000	0.000	0.000	0.000
508	A	535	SER	0	0.005	0.009	75.908	0.000	0.000	0.000	0.000	0.000	0.000
509	A	536	THR	0	0.001	-0.013	70.236	0.000	0.000	0.000	0.000	0.000	0.000
510	A	537	ARG	1	0.826	0.918	70.060	0.009	0.009	0.000	0.000	0.000	0.000
511	A	538	LEU	0	0.029	0.011	63.042	0.000	0.000	0.000	0.000	0.000	0.000
512	A	539	PHE	0	0.017	0.004	65.023	0.000	0.000	0.000	0.000	0.000	0.000
513	A	540	GLN	0	-0.034	-0.006	57.146	-0.001	-0.001	0.000	0.000	0.000	0.000
514	A	541	VAL	0	0.004	0.001	60.304	0.000	0.000	0.000	0.000	0.000	0.000
515	A	542	ARG	1	0.936	0.973	51.037	0.019	0.019	0.000	0.000	0.000	0.000
516	A	543	ALA	0	0.039	0.024	54.827	0.000	0.000	0.000	0.000	0.000	0.000
517	A	544	SER	0	-0.061	-0.030	53.008	-0.001	-0.001	0.000	0.000	0.000	0.000
518	A	545	SER	0	-0.031	-0.030	48.625	0.000	0.000	0.000	0.000	0.000	0.000
519	A	546	SER	0	-0.003	-0.031	51.261	-0.001	-0.001	0.000	0.000	0.000	0.000
520	A	547	GLY	0	-0.018	-0.002	54.262	0.000	0.000	0.000	0.000	0.000	0.000
521	A	548	ALA	0	0.006	0.016	56.223	0.001	0.001	0.000	0.000	0.000	0.000
522	A	549	THR	0	0.043	0.005	57.454	0.000	0.000	0.000	0.000	0.000	0.000
523	A	550	ARG	1	0.911	0.962	56.196	0.017	0.017	0.000	0.000	0.000	0.000
524	A	551	ALA	0	-0.007	0.005	61.106	0.000	0.000	0.000	0.000	0.000	0.000
525	A	552	VAL	0	0.002	-0.008	61.174	0.000	0.000	0.000	0.000	0.000	0.000
526	A	553	GLU	-1	-0.790	-0.872	63.693	-0.009	-0.009	0.000	0.000	0.000	0.000
527	A	554	ILE	0	-0.028	-0.025	60.981	0.000	0.000	0.000	0.000	0.000	0.000
528	A	555	ILE	0	-0.031	-0.030	63.998	0.000	0.000	0.000	0.000	0.000	0.000
529	A	556	PRO	0	-0.006	-0.012	64.281	0.000	0.000	0.000	0.000	0.000	0.000
530	A	557	LYS	1	0.998	1.002	61.673	0.006	0.006	0.000	0.000	0.000	0.000
531	A	558	ALA	0	0.083	0.055	60.887	-0.001	-0.001	0.000	0.000	0.000	0.000
532	A	559	GLY	0	-0.002	0.018	57.876	-0.001	-0.001	0.000	0.000	0.000	0.000
533	A	560	ALA	0	-0.117	-0.066	57.926	0.000	0.000	0.000	0.000	0.000	0.000
534	A	561	LEU	0	-0.014	0.009	57.727	-0.001	-0.001	0.000	0.000	0.000	0.000
535	A	562	ASN	0	-0.077	-0.048	51.501	-0.001	-0.001	0.000	0.000	0.000	0.000
536	A	563	SER	0	0.010	-0.016	51.134	-0.001	-0.001	0.000	0.000	0.000	0.000
537	A	564	ASN	0	-0.084	-0.029	48.833	-0.002	-0.002	0.000	0.000	0.000	0.000
538	A	565	ASP	-1	-0.738	-0.864	52.406	-0.017	-0.017	0.000	0.000	0.000	0.000
539	A	566	ALA	0	0.012	0.015	55.641	0.001	0.001	0.000	0.000	0.000	0.000
540	A	567	PHE	0	-0.027	-0.023	57.346	0.000	0.000	0.000	0.000	0.000	0.000
541	A	568	VAL	0	-0.004	0.004	62.086	0.000	0.000	0.000	0.000	0.000	0.000
542	A	569	LEU	0	-0.025	-0.011	65.883	0.000	0.000	0.000	0.000	0.000	0.000
543	A	570	LYS	1	0.943	0.981	68.037	0.008	0.008	0.000	0.000	0.000	0.000
544	A	571	THR	0	0.042	-0.005	71.664	0.001	0.001	0.000	0.000	0.000	0.000
545	A	572	PRO	0	-0.055	-0.031	74.370	0.000	0.000	0.000	0.000	0.000	0.000
546	A	573	SER	0	0.002	0.020	75.311	0.000	0.000	0.000	0.000	0.000	0.000
547	A	574	ALA	0	0.032	0.009	74.117	0.000	0.000	0.000	0.000	0.000	0.000
548	A	575	ALA	0	0.006	0.016	70.880	0.000	0.000	0.000	0.000	0.000	0.000
549	A	576	TYR	0	0.026	0.029	66.979	0.000	0.000	0.000	0.000	0.000	0.000
550	A	577	LEU	0	-0.010	-0.012	64.302	0.000	0.000	0.000	0.000	0.000	0.000
551	A	578	TRP	0	0.014	-0.011	56.692	-0.001	-0.001	0.000	0.000	0.000	0.000
552	A	579	VAL	0	-0.009	-0.016	58.095	-0.001	-0.001	0.000	0.000	0.000	0.000
553	A	580	GLY	0	0.027	0.015	55.942	0.000	0.000	0.000	0.000	0.000	0.000
554	A	581	ALA	0	0.034	0.011	52.465	-0.001	-0.001	0.000	0.000	0.000	0.000
555	A	582	GLY	0	-0.045	-0.028	50.931	-0.001	-0.001	0.000	0.000	0.000	0.000
556	A	583	ALA	0	-0.022	0.002	51.674	-0.001	-0.001	0.000	0.000	0.000	0.000
557	A	584	SER	0	-0.024	-0.047	52.856	-0.002	-0.002	0.000	0.000	0.000	0.000
558	A	585	GLU	-1	-0.953	-0.985	55.247	-0.021	-0.021	0.000	0.000	0.000	0.000
559	A	586	ALA	0	0.081	0.024	56.411	0.001	0.001	0.000	0.000	0.000	0.000
560	A	587	GLU	-1	-0.828	-0.932	55.177	-0.021	-0.021	0.000	0.000	0.000	0.000
561	A	588	LYS	1	0.942	0.981	58.115	0.021	0.021	0.000	0.000	0.000	0.000
562	A	589	THR	0	-0.025	0.021	60.949	0.001	0.001	0.000	0.000	0.000	0.000
563	A	590	GLY	0	0.034	0.006	62.034	0.001	0.001	0.000	0.000	0.000	0.000
564	A	591	ALA	0	0.005	-0.009	62.384	0.001	0.001	0.000	0.000	0.000	0.000
565	A	592	GLN	0	-0.006	-0.026	64.218	0.001	0.001	0.000	0.000	0.000	0.000
566	A	593	GLU	-1	-0.936	-0.958	66.790	-0.015	-0.015	0.000	0.000	0.000	0.000
567	A	594	LEU	0	0.010	0.008	66.449	0.000	0.000	0.000	0.000	0.000	0.000
568	A	595	LEU	0	-0.017	-0.008	67.870	0.001	0.001	0.000	0.000	0.000	0.000
569	A	596	ARG	1	0.959	0.984	71.150	0.015	0.015	0.000	0.000	0.000	0.000
570	A	597	VAL	0	-0.027	-0.006	71.592	0.000	0.000	0.000	0.000	0.000	0.000
571	A	598	LEU	0	-0.067	-0.041	70.332	0.001	0.001	0.000	0.000	0.000	0.000
572	A	599	ARG	1	0.899	0.967	74.449	0.011	0.011	0.000	0.000	0.000	0.000
573	A	600	ALA	0	-0.016	-0.010	74.002	0.000	0.000	0.000	0.000	0.000	0.000
574	A	601	GLN	0	0.060	0.027	74.086	0.000	0.000	0.000	0.000	0.000	0.000
575	A	602	PRO	0	-0.054	-0.048	68.983	0.000	0.000	0.000	0.000	0.000	0.000
576	A	603	VAL	0	-0.001	0.008	68.950	0.000	0.000	0.000	0.000	0.000	0.000
577	A	604	GLN	0	-0.016	-0.018	64.941	0.000	0.000	0.000	0.000	0.000	0.000
578	A	605	VAL	0	0.014	0.045	62.954	0.000	0.000	0.000	0.000	0.000	0.000
579	A	606	ALA	0	0.022	0.007	58.961	0.000	0.000	0.000	0.000	0.000	0.000
580	A	607	GLU	-1	-0.803	-0.895	54.202	-0.014	-0.014	0.000	0.000	0.000	0.000
581	A	608	GLY	0	-0.050	-0.002	57.267	0.000	0.000	0.000	0.000	0.000	0.000
582	A	609	SER	0	-0.057	-0.023	58.007	0.001	0.001	0.000	0.000	0.000	0.000
583	A	610	GLU	-1	-0.789	-0.931	60.342	-0.010	-0.010	0.000	0.000	0.000	0.000
584	A	611	PRO	0	-0.022	0.003	63.912	0.001	0.001	0.000	0.000	0.000	0.000
585	A	612	ASP	-1	-0.866	-0.953	67.080	-0.006	-0.006	0.000	0.000	0.000	0.000
586	A	613	SER	0	0.028	0.007	68.102	0.000	0.000	0.000	0.000	0.000	0.000
587	A	614	PHE	0	-0.031	-0.028	62.685	0.000	0.000	0.000	0.000	0.000	0.000
588	A	615	TRP	0	0.003	-0.015	59.762	0.000	0.000	0.000	0.000	0.000	0.000
589	A	616	GLU	-1	-0.853	-0.911	66.230	-0.004	-0.004	0.000	0.000	0.000	0.000
590	A	617	ALA	0	-0.030	0.011	69.343	0.000	0.000	0.000	0.000	0.000	0.000
591	A	618	LEU	0	-0.120	-0.082	63.266	-0.001	-0.001	0.000	0.000	0.000	0.000
592	A	619	GLY	0	-0.015	-0.003	66.414	0.000	0.000	0.000	0.000	0.000	0.000
593	A	620	GLY	0	-0.019	-0.005	65.401	0.001	0.001	0.000	0.000	0.000	0.000
594	A	621	LYS	1	0.932	0.969	58.807	0.006	0.006	0.000	0.000	0.000	0.000
595	A	622	ALA	0	-0.022	-0.006	58.900	0.000	0.000	0.000	0.000	0.000	0.000
596	A	623	THR	0	-0.007	-0.010	52.592	0.000	0.000	0.000	0.000	0.000	0.000
597	A	624	TYR	0	0.010	0.017	53.270	0.000	0.000	0.000	0.000	0.000	0.000
598	A	625	ARG	1	0.940	0.964	48.787	0.013	0.013	0.000	0.000	0.000	0.000
599	A	626	THR	0	0.028	0.013	47.601	0.000	0.000	0.000	0.000	0.000	0.000
600	A	627	SER	0	-0.054	-0.027	46.026	0.000	0.000	0.000	0.000	0.000	0.000
601	A	628	PRO	0	0.038	0.029	43.064	0.001	0.001	0.000	0.000	0.000	0.000
602	A	629	ARG	1	0.825	0.903	44.528	0.019	0.019	0.000	0.000	0.000	0.000
603	A	630	LEU	0	0.043	0.024	40.319	-0.001	-0.001	0.000	0.000	0.000	0.000
604	A	631	LYS	1	0.986	0.976	43.521	0.033	0.033	0.000	0.000	0.000	0.000
605	A	632	ASP	-1	-0.880	-0.943	40.899	-0.049	-0.049	0.000	0.000	0.000	0.000
606	A	633	LYS	1	0.888	0.950	36.745	0.046	0.046	0.000	0.000	0.000	0.000
607	A	634	LYS	1	0.908	0.986	39.485	0.032	0.032	0.000	0.000	0.000	0.000
608	A	635	MET	0	-0.005	-0.002	38.764	0.002	0.002	0.000	0.000	0.000	0.000
609	A	636	ASP	-1	-0.807	-0.913	35.560	-0.058	-0.058	0.000	0.000	0.000	0.000
610	A	637	ALA	0	-0.041	-0.025	36.340	0.001	0.001	0.000	0.000	0.000	0.000
611	A	638	HIS	1	0.803	0.903	38.259	0.029	0.029	0.000	0.000	0.000	0.000
612	A	639	PRO	0	0.012	0.037	36.631	0.001	0.001	0.000	0.000	0.000	0.000
613	A	640	PRO	0	0.042	0.016	39.630	0.003	0.003	0.000	0.000	0.000	0.000
614	A	641	ARG	1	0.840	0.933	39.610	0.024	0.024	0.000	0.000	0.000	0.000
615	A	642	LEU	0	0.039	0.031	41.733	0.002	0.002	0.000	0.000	0.000	0.000
616	A	643	PHE	0	0.016	0.003	42.389	0.000	0.000	0.000	0.000	0.000	0.000
617	A	644	ALA	0	0.018	0.013	45.177	0.000	0.000	0.000	0.000	0.000	0.000
618	A	645	CYS	0	-0.018	-0.024	47.543	0.001	0.001	0.000	0.000	0.000	0.000
619	A	646	SER	0	-0.029	-0.002	50.746	0.000	0.000	0.000	0.000	0.000	0.000
620	A	647	ASN	0	0.056	0.029	52.504	0.001	0.001	0.000	0.000	0.000	0.000
621	A	648	LYS	1	0.999	0.991	52.045	0.014	0.014	0.000	0.000	0.000	0.000
622	A	649	ILE	0	0.022	0.013	55.949	0.001	0.001	0.000	0.000	0.000	0.000
623	A	650	GLY	0	-0.006	0.000	57.788	0.001	0.001	0.000	0.000	0.000	0.000
624	A	651	ARG	1	0.871	0.956	52.016	0.004	0.004	0.000	0.000	0.000	0.000
625	A	652	PHE	0	-0.041	-0.021	50.737	-0.001	-0.001	0.000	0.000	0.000	0.000
626	A	653	VAL	0	0.008	-0.011	47.312	0.001	0.001	0.000	0.000	0.000	0.000
627	A	654	ILE	0	-0.039	-0.021	45.361	-0.001	-0.001	0.000	0.000	0.000	0.000
628	A	655	GLU	-1	-0.840	-0.921	41.744	-0.021	-0.021	0.000	0.000	0.000	0.000
629	A	656	GLU	-1	-0.881	-0.949	38.837	-0.032	-0.032	0.000	0.000	0.000	0.000
630	A	657	VAL	0	-0.015	-0.006	40.444	0.000	0.000	0.000	0.000	0.000	0.000
631	A	658	PRO	0	-0.023	-0.010	35.044	-0.002	-0.002	0.000	0.000	0.000	0.000
632	A	659	GLY	0	0.039	-0.001	34.684	-0.001	-0.001	0.000	0.000	0.000	0.000
633	A	660	GLU	-1	-0.991	-0.993	34.887	-0.068	-0.068	0.000	0.000	0.000	0.000
634	A	661	PHE	0	-0.041	-0.025	37.431	0.002	0.002	0.000	0.000	0.000	0.000
635	A	662	MET	0	0.008	0.010	39.621	-0.002	-0.002	0.000	0.000	0.000	0.000
636	A	663	GLN	0	0.060	0.036	42.749	0.001	0.001	0.000	0.000	0.000	0.000
637	A	664	GLU	-1	-0.893	-0.964	43.211	-0.041	-0.041	0.000	0.000	0.000	0.000
638	A	665	ASP	-1	-0.916	-0.979	41.508	-0.038	-0.038	0.000	0.000	0.000	0.000
639	A	666	LEU	0	-0.091	-0.036	44.836	0.002	0.002	0.000	0.000	0.000	0.000
640	A	667	ALA	0	0.006	0.016	48.439	0.000	0.000	0.000	0.000	0.000	0.000
641	A	668	THR	0	-0.036	-0.023	50.180	0.001	0.001	0.000	0.000	0.000	0.000
642	A	669	ASP	-1	-0.806	-0.897	52.512	-0.019	-0.019	0.000	0.000	0.000	0.000
643	A	670	ASP	-1	-0.798	-0.908	49.843	-0.019	-0.019	0.000	0.000	0.000	0.000
644	A	671	VAL	0	-0.006	-0.006	52.423	0.000	0.000	0.000	0.000	0.000	0.000
645	A	672	MET	0	-0.019	-0.005	45.986	0.001	0.001	0.000	0.000	0.000	0.000
646	A	673	LEU	0	-0.039	-0.020	48.418	0.001	0.001	0.000	0.000	0.000	0.000
647	A	674	LEU	0	0.025	0.016	45.190	-0.001	-0.001	0.000	0.000	0.000	0.000
648	A	675	ASP	-1	-0.758	-0.813	45.304	-0.022	-0.022	0.000	0.000	0.000	0.000
649	A	676	THR	0	0.005	0.008	45.111	-0.003	-0.003	0.000	0.000	0.000	0.000
650	A	677	TRP	0	0.046	-0.001	43.868	0.001	0.001	0.000	0.000	0.000	0.000
651	A	678	ASP	-1	-0.940	-0.998	46.275	-0.024	-0.024	0.000	0.000	0.000	0.000
652	A	679	GLN	0	-0.012	0.014	49.344	0.002	0.002	0.000	0.000	0.000	0.000
653	A	680	VAL	0	0.005	0.024	49.675	-0.001	-0.001	0.000	0.000	0.000	0.000
654	A	681	PHE	0	-0.004	0.001	50.197	0.001	0.001	0.000	0.000	0.000	0.000
655	A	682	VAL	0	0.008	0.011	51.245	0.000	0.000	0.000	0.000	0.000	0.000
656	A	683	TRP	0	-0.068	-0.054	51.618	0.000	0.000	0.000	0.000	0.000	0.000
657	A	684	VAL	0	-0.003	-0.010	53.500	0.000	0.000	0.000	0.000	0.000	0.000
658	A	685	GLY	0	0.053	0.033	54.959	0.000	0.000	0.000	0.000	0.000	0.000
659	A	686	LYS	1	0.929	0.943	55.678	0.021	0.021	0.000	0.000	0.000	0.000
660	A	687	ASP	-1	-0.912	-0.956	57.314	-0.018	-0.018	0.000	0.000	0.000	0.000
661	A	688	SER	0	-0.030	-0.002	56.255	0.001	0.001	0.000	0.000	0.000	0.000
662	A	689	GLN	0	0.016	-0.001	57.916	0.001	0.001	0.000	0.000	0.000	0.000
663	A	690	ASP	-1	-0.842	-0.932	60.504	-0.013	-0.013	0.000	0.000	0.000	0.000
664	A	691	GLU	-1	-0.992	-1.005	61.346	-0.009	-0.009	0.000	0.000	0.000	0.000
665	A	692	GLU	-1	-0.919	-0.976	56.174	-0.013	-0.013	0.000	0.000	0.000	0.000
666	A	693	LYS	1	0.904	0.962	58.824	0.015	0.015	0.000	0.000	0.000	0.000
667	A	694	THR	0	-0.030	-0.001	60.190	0.000	0.000	0.000	0.000	0.000	0.000
668	A	695	GLU	-1	-0.927	-0.964	59.592	-0.009	-0.009	0.000	0.000	0.000	0.000
669	A	696	ALA	0	0.053	0.045	57.374	0.000	0.000	0.000	0.000	0.000	0.000
670	A	697	LEU	0	0.007	-0.019	57.040	0.000	0.000	0.000	0.000	0.000	0.000
671	A	698	THR	0	-0.024	-0.016	57.931	0.000	0.000	0.000	0.000	0.000	0.000
672	A	699	SER	0	0.003	-0.005	54.263	0.001	0.001	0.000	0.000	0.000	0.000
673	A	700	ALA	0	0.040	0.034	53.297	0.000	0.000	0.000	0.000	0.000	0.000
674	A	701	LYS	1	0.929	0.962	53.519	0.011	0.011	0.000	0.000	0.000	0.000
675	A	702	ARG	1	0.936	0.990	54.080	0.009	0.009	0.000	0.000	0.000	0.000
676	A	703	TYR	0	-0.028	-0.058	45.791	0.001	0.001	0.000	0.000	0.000	0.000
677	A	704	ILE	0	-0.013	-0.016	49.904	0.000	0.000	0.000	0.000	0.000	0.000
678	A	705	ASP	-1	-0.963	-0.990	51.004	-0.008	-0.008	0.000	0.000	0.000	0.000
679	A	706	THR	0	-0.045	-0.034	47.936	0.002	0.002	0.000	0.000	0.000	0.000
680	A	707	ASP	-1	-0.779	-0.872	45.094	-0.016	-0.016	0.000	0.000	0.000	0.000
681	A	708	PRO	0	0.038	-0.003	42.844	0.001	0.001	0.000	0.000	0.000	0.000
682	A	709	ALA	0	-0.070	-0.033	43.665	0.001	0.001	0.000	0.000	0.000	0.000
683	A	710	HIS	0	-0.127	-0.040	44.913	0.000	0.000	0.000	0.000	0.000	0.000
684	A	711	ARG	1	0.770	0.857	46.236	0.020	0.020	0.000	0.000	0.000	0.000
685	A	712	ASP	-1	-0.841	-0.911	49.539	-0.011	-0.011	0.000	0.000	0.000	0.000
686	A	713	ARG	1	1.008	1.020	52.978	0.006	0.006	0.000	0.000	0.000	0.000
687	A	714	ARG	1	0.806	0.897	55.349	0.012	0.012	0.000	0.000	0.000	0.000
688	A	715	THR	0	-0.062	-0.033	51.297	-0.001	-0.001	0.000	0.000	0.000	0.000
689	A	716	PRO	0	-0.026	-0.007	53.908	0.001	0.001	0.000	0.000	0.000	0.000
690	A	717	ILE	0	-0.017	-0.007	54.529	-0.001	-0.001	0.000	0.000	0.000	0.000
691	A	718	THR	0	-0.003	-0.031	55.200	0.001	0.001	0.000	0.000	0.000	0.000
692	A	719	VAL	0	0.006	-0.005	55.584	-0.001	-0.001	0.000	0.000	0.000	0.000
693	A	720	VAL	0	0.005	0.008	54.707	0.000	0.000	0.000	0.000	0.000	0.000
694	A	721	LYS	1	0.876	0.947	56.906	0.018	0.018	0.000	0.000	0.000	0.000
695	A	722	GLN	0	0.055	0.050	54.905	0.000	0.000	0.000	0.000	0.000	0.000
696	A	723	GLY	0	-0.027	-0.012	55.972	0.001	0.001	0.000	0.000	0.000	0.000
697	A	724	PHE	0	-0.039	-0.022	57.720	0.000	0.000	0.000	0.000	0.000	0.000
698	A	725	GLU	-1	-0.790	-0.891	52.949	-0.026	-0.026	0.000	0.000	0.000	0.000
699	A	726	PRO	0	-0.016	-0.003	54.668	-0.001	-0.001	0.000	0.000	0.000	0.000
700	A	727	PRO	0	0.042	-0.001	53.586	-0.001	-0.001	0.000	0.000	0.000	0.000
701	A	728	SER	0	-0.071	-0.053	51.542	-0.002	-0.002	0.000	0.000	0.000	0.000
702	A	729	PHE	0	-0.005	0.001	49.927	0.000	0.000	0.000	0.000	0.000	0.000
703	A	730	VAL	0	0.061	0.016	48.850	-0.002	-0.002	0.000	0.000	0.000	0.000
704	A	731	GLY	0	-0.042	-0.005	47.769	-0.002	-0.002	0.000	0.000	0.000	0.000
705	A	732	TRP	0	-0.064	-0.039	42.195	-0.004	-0.004	0.000	0.000	0.000	0.000
706	A	733	PHE	0	-0.039	-0.019	43.387	-0.002	-0.002	0.000	0.000	0.000	0.000
707	A	734	LEU	0	0.018	-0.002	39.637	0.001	0.001	0.000	0.000	0.000	0.000
708	A	735	GLY	0	-0.020	0.001	43.372	0.000	0.000	0.000	0.000	0.000	0.000
709	A	736	TRP	0	-0.036	-0.017	44.537	0.002	0.002	0.000	0.000	0.000	0.000
710	A	737	ASP	-1	-0.872	-0.951	48.121	-0.035	-0.035	0.000	0.000	0.000	0.000
711	A	738	ASP	-1	-0.852	-0.925	50.947	-0.030	-0.030	0.000	0.000	0.000	0.000
712	A	739	SER	0	-0.027	-0.005	54.383	0.002	0.002	0.000	0.000	0.000	0.000
713	A	740	TYR	0	0.055	0.047	47.164	0.001	0.001	0.000	0.000	0.000	0.000
714	A	741	TRP	0	0.018	-0.005	51.162	0.000	0.000	0.000	0.000	0.000	0.000
715	A	742	SER	0	-0.116	-0.056	55.003	0.001	0.001	0.000	0.000	0.000	0.000
716	A	743	VAL	0	-0.012	-0.006	53.784	0.001	0.001	0.000	0.000	0.000	0.000
717	A	744	ASP	-1	-0.784	-0.892	54.327	-0.024	-0.024	0.000	0.000	0.000	0.000
718	A	745	PRO	0	0.021	0.006	49.393	-0.001	-0.001	0.000	0.000	0.000	0.000
719	A	746	LEU	0	-0.024	-0.002	49.279	-0.001	-0.001	0.000	0.000	0.000	0.000
720	A	747	ASP	-1	-0.839	-0.924	50.770	-0.024	-0.024	0.000	0.000	0.000	0.000
721	A	748	ARG	1	0.845	0.923	48.416	0.032	0.032	0.000	0.000	0.000	0.000
722	A	749	ALA	0	-0.032	-0.023	46.491	-0.001	-0.001	0.000	0.000	0.000	0.000
723	A	750	LEU	0	0.007	-0.018	47.628	-0.001	-0.001	0.000	0.000	0.000	0.000
724	A	751	ALA	0	-0.049	-0.011	49.855	0.000	0.000	0.000	0.000	0.000	0.000
725	A	752	GLU	-1	-0.936	-0.963	44.578	-0.044	-0.044	0.000	0.000	0.000	0.000
726	A	753	LEU	0	-0.103	-0.053	43.113	-0.001	-0.001	0.000	0.000	0.000	0.000
727	A	754	ALA	0	0.003	0.007	46.336	0.000	0.000	0.000	0.000	0.000	0.000
728	A	755	ALA	0	-0.037	-0.004	48.628	0.002	0.002	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:27:VAL)