FMO DATABASE

FMODB ID: MV2JZ

Calculation Name: 5C6G-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 5C6G

Chain ID: A

ChEMBL ID:

UniProt ID: Q750S2

Base Structure: X-ray

Registration Date: 2023-06-26

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	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	608
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-13043390.618664
FMO2-HF: Nuclear repulsion	12800141.913517
FMO2-HF: Total energy	-243248.705148
FMO2-MP2: Total energy	-243957.29646

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:34:MET)

Summations of interaction energy for fragment #1(A:34:MET)

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.
-4.987	-1.827	0.096	-1.015	-2.241	0.002

Interaction energy analysis for fragmet #1(A:34:MET)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.065 / q_NPA : 0.024

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	36	MET	0	0.028	0.022	3.831	-2.633	-0.946	0.001	-0.650	-1.038	0.002
4	A	37	ALA	0	0.021	0.007	3.405	-0.894	-0.331	0.027	-0.125	-0.465	0.000
5	A	38	VAL	0	0.015	0.011	3.314	-0.498	0.412	0.068	-0.240	-0.738	0.000
6	A	39	ASN	0	0.010	-0.015	5.840	-0.015	-0.015	0.000	0.000	0.000	0.000
7	A	40	LEU	0	-0.020	0.008	8.008	-0.034	-0.034	0.000	0.000	0.000	0.000
8	A	41	HIS	0	0.032	-0.004	7.461	-0.023	-0.023	0.000	0.000	0.000	0.000
9	A	42	LYS	1	0.901	0.979	9.723	-0.415	-0.415	0.000	0.000	0.000	0.000
10	A	43	HIS	0	-0.032	-0.033	10.562	-0.079	-0.079	0.000	0.000	0.000	0.000
11	A	44	GLN	0	0.069	0.050	12.833	-0.030	-0.030	0.000	0.000	0.000	0.000
12	A	45	LYS	1	0.860	0.942	15.104	-0.188	-0.188	0.000	0.000	0.000	0.000
13	A	46	ASN	0	0.030	-0.009	17.652	-0.020	-0.020	0.000	0.000	0.000	0.000
14	A	47	LEU	0	-0.008	0.004	13.549	-0.008	-0.008	0.000	0.000	0.000	0.000
15	A	48	VAL	0	0.026	0.021	17.500	-0.006	-0.006	0.000	0.000	0.000	0.000
16	A	49	TYR	0	0.016	0.028	19.780	-0.012	-0.012	0.000	0.000	0.000	0.000
17	A	50	ARG	1	0.936	0.958	20.329	-0.224	-0.224	0.000	0.000	0.000	0.000
18	A	51	LEU	0	0.020	0.012	17.709	-0.007	-0.007	0.000	0.000	0.000	0.000
19	A	52	SER	0	-0.007	-0.009	21.914	-0.016	-0.016	0.000	0.000	0.000	0.000
20	A	53	GLN	0	0.004	0.015	25.188	-0.018	-0.018	0.000	0.000	0.000	0.000
21	A	54	GLN	0	-0.016	0.000	21.574	-0.004	-0.004	0.000	0.000	0.000	0.000
22	A	55	TYR	0	0.008	-0.002	22.074	-0.006	-0.006	0.000	0.000	0.000	0.000
23	A	56	LEU	0	0.022	0.010	27.574	-0.009	-0.009	0.000	0.000	0.000	0.000
24	A	57	ALA	0	-0.013	-0.007	29.080	-0.007	-0.007	0.000	0.000	0.000	0.000
25	A	58	ALA	0	0.040	0.014	28.864	-0.007	-0.007	0.000	0.000	0.000	0.000
26	A	59	ALA	0	-0.017	-0.004	30.894	-0.007	-0.007	0.000	0.000	0.000	0.000
27	A	60	ARG	1	0.794	0.872	33.510	-0.102	-0.102	0.000	0.000	0.000	0.000
28	A	61	ASP	-1	-0.904	-0.959	33.238	0.110	0.110	0.000	0.000	0.000	0.000
29	A	62	LEU	0	-0.034	0.000	34.425	-0.004	-0.004	0.000	0.000	0.000	0.000
30	A	63	ALA	0	0.024	0.008	36.607	-0.005	-0.005	0.000	0.000	0.000	0.000
31	A	64	ALA	0	-0.039	-0.006	39.350	-0.004	-0.004	0.000	0.000	0.000	0.000
32	A	65	ASP	-1	-0.806	-0.894	39.991	0.073	0.073	0.000	0.000	0.000	0.000
33	A	66	VAL	0	-0.099	-0.040	39.348	-0.002	-0.002	0.000	0.000	0.000	0.000
34	A	67	ARG	1	0.811	0.893	41.891	-0.062	-0.062	0.000	0.000	0.000	0.000
35	A	68	SER	0	-0.019	-0.026	42.492	-0.003	-0.003	0.000	0.000	0.000	0.000
36	A	69	GLU	-1	-0.779	-0.887	42.346	0.055	0.055	0.000	0.000	0.000	0.000
37	A	70	LYS	1	0.952	0.982	36.623	-0.069	-0.069	0.000	0.000	0.000	0.000
38	A	71	GLN	0	0.052	0.022	38.010	0.000	0.000	0.000	0.000	0.000	0.000
39	A	72	LEU	0	0.037	0.036	38.099	0.005	0.005	0.000	0.000	0.000	0.000
40	A	73	GLN	0	-0.017	-0.029	36.948	0.005	0.005	0.000	0.000	0.000	0.000
41	A	74	GLN	0	-0.039	-0.019	33.329	0.001	0.001	0.000	0.000	0.000	0.000
42	A	75	TYR	0	-0.012	-0.027	33.291	0.007	0.007	0.000	0.000	0.000	0.000
43	A	76	TYR	0	0.041	0.002	34.238	0.005	0.005	0.000	0.000	0.000	0.000
44	A	77	THR	0	-0.078	-0.035	29.913	0.001	0.001	0.000	0.000	0.000	0.000
45	A	78	LEU	0	-0.029	-0.011	28.624	0.007	0.007	0.000	0.000	0.000	0.000
46	A	79	VAL	0	0.016	0.012	29.594	0.008	0.008	0.000	0.000	0.000	0.000
47	A	80	ARG	1	0.966	0.986	29.782	-0.083	-0.083	0.000	0.000	0.000	0.000
48	A	81	GLN	0	-0.039	-0.006	23.317	-0.008	-0.008	0.000	0.000	0.000	0.000
49	A	82	CYS	0	-0.079	-0.044	26.196	0.007	0.007	0.000	0.000	0.000	0.000
50	A	83	VAL	0	0.043	0.025	27.636	0.004	0.004	0.000	0.000	0.000	0.000
51	A	84	HIS	0	0.014	0.002	25.514	-0.001	-0.001	0.000	0.000	0.000	0.000
52	A	85	GLY	0	0.013	0.017	23.575	0.003	0.003	0.000	0.000	0.000	0.000
53	A	86	LEU	0	0.020	-0.006	24.231	0.006	0.006	0.000	0.000	0.000	0.000
54	A	87	ARG	1	0.934	0.974	26.875	-0.076	-0.076	0.000	0.000	0.000	0.000
55	A	88	TYR	0	-0.046	-0.015	17.213	-0.003	-0.003	0.000	0.000	0.000	0.000
56	A	89	VAL	0	-0.063	-0.035	22.054	0.004	0.004	0.000	0.000	0.000	0.000
57	A	90	LYS	1	0.817	0.886	23.832	-0.087	-0.087	0.000	0.000	0.000	0.000
58	A	91	ASP	-1	-0.810	-0.896	26.565	0.077	0.077	0.000	0.000	0.000	0.000
59	A	92	GLY	0	-0.019	0.007	22.649	-0.007	-0.007	0.000	0.000	0.000	0.000
60	A	93	PHE	0	-0.030	-0.025	17.375	0.013	0.013	0.000	0.000	0.000	0.000
61	A	94	GLN	0	-0.009	0.001	22.756	-0.003	-0.003	0.000	0.000	0.000	0.000
62	A	95	LEU	0	-0.028	0.005	23.806	0.010	0.010	0.000	0.000	0.000	0.000
63	A	96	THR	0	0.007	-0.035	24.863	-0.008	-0.008	0.000	0.000	0.000	0.000
64	A	97	VAL	0	0.030	0.013	27.467	-0.001	-0.001	0.000	0.000	0.000	0.000
65	A	98	GLU	-1	-0.819	-0.894	28.409	0.103	0.103	0.000	0.000	0.000	0.000
66	A	99	GLU	-1	-0.799	-0.900	23.040	0.164	0.164	0.000	0.000	0.000	0.000
67	A	100	ASP	-1	-0.779	-0.877	27.848	0.087	0.087	0.000	0.000	0.000	0.000
68	A	101	ILE	0	0.008	0.003	30.192	-0.004	-0.004	0.000	0.000	0.000	0.000
69	A	102	GLN	0	-0.012	-0.007	27.703	-0.004	-0.004	0.000	0.000	0.000	0.000
70	A	103	VAL	0	-0.014	-0.005	27.032	-0.001	-0.001	0.000	0.000	0.000	0.000
71	A	104	THR	0	0.003	0.000	29.971	-0.003	-0.003	0.000	0.000	0.000	0.000
72	A	105	LEU	0	0.002	-0.001	32.879	-0.004	-0.004	0.000	0.000	0.000	0.000
73	A	106	GLN	0	-0.008	-0.002	29.753	0.002	0.002	0.000	0.000	0.000	0.000
74	A	107	LEU	0	-0.022	-0.022	30.425	-0.001	-0.001	0.000	0.000	0.000	0.000
75	A	108	ALA	0	0.032	0.019	33.028	-0.003	-0.003	0.000	0.000	0.000	0.000
76	A	109	ARG	1	0.865	0.932	36.476	-0.074	-0.074	0.000	0.000	0.000	0.000
77	A	110	VAL	0	-0.001	-0.007	32.935	-0.002	-0.002	0.000	0.000	0.000	0.000
78	A	111	LEU	0	-0.028	-0.014	34.520	-0.002	-0.002	0.000	0.000	0.000	0.000
79	A	112	LEU	0	-0.010	0.002	37.225	-0.003	-0.003	0.000	0.000	0.000	0.000
80	A	113	GLU	-1	-0.840	-0.875	39.360	0.073	0.073	0.000	0.000	0.000	0.000
81	A	114	GLU	-1	-0.753	-0.842	36.589	0.085	0.085	0.000	0.000	0.000	0.000
82	A	115	THR	0	-0.102	-0.068	36.327	0.000	0.000	0.000	0.000	0.000	0.000
83	A	116	HIS	0	0.088	0.040	39.702	-0.002	-0.002	0.000	0.000	0.000	0.000
84	A	117	GLU	-1	-0.946	-0.963	37.213	0.052	0.052	0.000	0.000	0.000	0.000
85	A	118	VAL	0	0.023	0.002	39.775	0.003	0.003	0.000	0.000	0.000	0.000
86	A	119	GLU	-1	-0.825	-0.917	42.030	0.045	0.045	0.000	0.000	0.000	0.000
87	A	120	LEU	0	-0.023	-0.004	34.319	0.001	0.001	0.000	0.000	0.000	0.000
88	A	121	ALA	0	-0.004	-0.005	37.582	0.003	0.003	0.000	0.000	0.000	0.000
89	A	122	GLU	-1	-0.827	-0.923	38.780	0.046	0.046	0.000	0.000	0.000	0.000
90	A	123	GLN	0	-0.018	-0.004	37.751	0.000	0.000	0.000	0.000	0.000	0.000
91	A	124	TYR	0	-0.070	-0.064	30.826	0.000	0.000	0.000	0.000	0.000	0.000
92	A	125	LEU	0	0.015	-0.001	36.156	0.002	0.002	0.000	0.000	0.000	0.000
93	A	126	GLY	0	-0.015	-0.004	38.644	-0.001	-0.001	0.000	0.000	0.000	0.000
94	A	127	SER	0	-0.052	-0.041	35.108	-0.002	-0.002	0.000	0.000	0.000	0.000
95	A	128	LEU	0	-0.024	0.004	33.930	0.000	0.000	0.000	0.000	0.000	0.000
96	A	129	ARG	1	0.984	0.992	36.694	-0.046	-0.046	0.000	0.000	0.000	0.000
97	A	130	THR	0	-0.029	-0.026	38.853	-0.003	-0.003	0.000	0.000	0.000	0.000
98	A	131	ARG	1	0.820	0.908	29.160	-0.088	-0.088	0.000	0.000	0.000	0.000
99	A	132	LEU	0	0.012	-0.007	35.770	0.000	0.000	0.000	0.000	0.000	0.000
100	A	133	ARG	1	0.915	0.974	38.784	-0.044	-0.044	0.000	0.000	0.000	0.000
101	A	134	THR	0	-0.025	0.006	37.406	-0.002	-0.002	0.000	0.000	0.000	0.000
102	A	135	THR	0	-0.054	-0.026	36.017	0.003	0.003	0.000	0.000	0.000	0.000
103	A	136	PRO	0	0.047	0.022	37.955	-0.002	-0.002	0.000	0.000	0.000	0.000
104	A	137	LEU	0	0.005	0.003	34.952	0.000	0.000	0.000	0.000	0.000	0.000
105	A	138	THR	0	0.006	-0.015	39.666	-0.001	-0.001	0.000	0.000	0.000	0.000
106	A	139	ASP	-1	-0.799	-0.882	41.421	0.058	0.058	0.000	0.000	0.000	0.000
107	A	140	ALA	0	0.021	0.013	37.809	0.000	0.000	0.000	0.000	0.000	0.000
108	A	141	ARG	1	0.953	0.981	39.826	-0.049	-0.049	0.000	0.000	0.000	0.000
109	A	142	HIS	1	0.885	0.930	41.905	-0.049	-0.049	0.000	0.000	0.000	0.000
110	A	143	ALA	0	0.045	0.033	40.547	-0.001	-0.001	0.000	0.000	0.000	0.000
111	A	144	VAL	0	-0.028	-0.013	38.930	0.000	0.000	0.000	0.000	0.000	0.000
112	A	145	GLU	-1	-0.878	-0.938	41.692	0.046	0.046	0.000	0.000	0.000	0.000
113	A	146	PHE	0	0.037	0.010	45.056	-0.002	-0.002	0.000	0.000	0.000	0.000
114	A	147	GLN	0	-0.022	-0.008	38.624	-0.001	-0.001	0.000	0.000	0.000	0.000
115	A	148	LEU	0	-0.047	-0.028	42.658	-0.001	-0.001	0.000	0.000	0.000	0.000
116	A	149	LEU	0	-0.052	-0.020	45.586	-0.002	-0.002	0.000	0.000	0.000	0.000
117	A	150	TYR	0	0.008	0.007	47.204	-0.001	-0.001	0.000	0.000	0.000	0.000
118	A	151	ASP	-1	-0.795	-0.909	43.785	0.060	0.060	0.000	0.000	0.000	0.000
119	A	152	VAL	0	-0.004	-0.002	43.532	0.000	0.000	0.000	0.000	0.000	0.000
120	A	153	PRO	0	-0.024	-0.011	45.886	-0.001	-0.001	0.000	0.000	0.000	0.000
121	A	154	LEU	0	-0.027	-0.018	48.345	-0.002	-0.002	0.000	0.000	0.000	0.000
122	A	155	ALA	0	-0.025	-0.002	44.772	-0.001	-0.001	0.000	0.000	0.000	0.000
123	A	156	LYS	1	0.791	0.908	46.807	-0.041	-0.041	0.000	0.000	0.000	0.000
124	A	157	GLU	-1	-0.995	-0.974	49.104	0.042	0.042	0.000	0.000	0.000	0.000
125	A	158	ASP	-1	-0.754	-0.888	51.807	0.030	0.030	0.000	0.000	0.000	0.000
126	A	159	ARG	1	0.890	0.937	54.616	-0.029	-0.029	0.000	0.000	0.000	0.000
127	A	160	ALA	0	-0.105	-0.065	57.373	0.000	0.000	0.000	0.000	0.000	0.000
128	A	161	GLU	-1	-0.765	-0.894	51.152	0.037	0.037	0.000	0.000	0.000	0.000
129	A	162	LEU	0	-0.002	0.004	52.478	0.000	0.000	0.000	0.000	0.000	0.000
130	A	163	ARG	1	0.881	0.942	55.119	-0.029	-0.029	0.000	0.000	0.000	0.000
131	A	164	GLN	0	-0.042	-0.018	55.223	-0.001	-0.001	0.000	0.000	0.000	0.000
132	A	165	VAL	0	0.042	0.034	51.834	0.000	0.000	0.000	0.000	0.000	0.000
133	A	166	VAL	0	0.001	0.000	54.385	0.000	0.000	0.000	0.000	0.000	0.000
134	A	167	ARG	1	0.933	0.979	56.921	-0.027	-0.027	0.000	0.000	0.000	0.000
135	A	168	HIS	0	0.011	-0.003	51.881	0.000	0.000	0.000	0.000	0.000	0.000
136	A	169	THR	0	0.007	0.005	52.804	0.000	0.000	0.000	0.000	0.000	0.000
137	A	170	THR	0	-0.061	-0.039	54.531	0.000	0.000	0.000	0.000	0.000	0.000
138	A	171	GLY	0	0.040	0.026	55.496	0.000	0.000	0.000	0.000	0.000	0.000
139	A	172	LEU	0	-0.032	-0.012	49.328	0.000	0.000	0.000	0.000	0.000	0.000
140	A	173	LEU	0	-0.062	-0.045	53.449	0.000	0.000	0.000	0.000	0.000	0.000
141	A	174	GLU	-1	-0.960	-0.975	56.069	0.028	0.028	0.000	0.000	0.000	0.000
142	A	175	GLU	-1	-0.966	-0.968	53.729	0.032	0.032	0.000	0.000	0.000	0.000
143	A	176	LEU	0	-0.125	-0.047	50.964	0.001	0.001	0.000	0.000	0.000	0.000
144	A	177	ALA	0	0.039	0.018	55.028	-0.001	-0.001	0.000	0.000	0.000	0.000
145	A	178	ASP	-1	-0.832	-0.944	56.203	0.033	0.033	0.000	0.000	0.000	0.000
146	A	179	SER	0	-0.055	-0.023	55.588	0.000	0.000	0.000	0.000	0.000	0.000
147	A	180	ASP	-1	-0.884	-0.939	50.748	0.046	0.046	0.000	0.000	0.000	0.000
148	A	181	ALA	0	0.059	0.017	49.558	0.000	0.000	0.000	0.000	0.000	0.000
149	A	182	TRP	0	-0.043	-0.060	43.829	0.000	0.000	0.000	0.000	0.000	0.000
150	A	183	ALA	0	0.019	0.018	50.412	0.000	0.000	0.000	0.000	0.000	0.000
151	A	184	TRP	0	-0.020	-0.028	53.144	0.000	0.000	0.000	0.000	0.000	0.000
152	A	185	LEU	0	0.012	0.020	47.910	0.000	0.000	0.000	0.000	0.000	0.000
153	A	186	PHE	0	0.046	0.012	47.611	0.000	0.000	0.000	0.000	0.000	0.000
154	A	187	ARG	1	0.911	0.971	52.848	-0.035	-0.035	0.000	0.000	0.000	0.000
155	A	188	TYR	0	0.028	0.003	52.704	-0.001	-0.001	0.000	0.000	0.000	0.000
156	A	189	CYS	0	-0.052	-0.027	51.190	0.000	0.000	0.000	0.000	0.000	0.000
157	A	190	ARG	1	0.846	0.917	53.721	-0.032	-0.032	0.000	0.000	0.000	0.000
158	A	191	ILE	0	-0.018	0.002	57.117	-0.001	-0.001	0.000	0.000	0.000	0.000
159	A	192	ILE	0	0.023	0.016	53.558	-0.001	-0.001	0.000	0.000	0.000	0.000
160	A	193	GLY	0	0.001	0.011	56.632	0.000	0.000	0.000	0.000	0.000	0.000
161	A	194	LEU	0	-0.085	-0.063	57.357	-0.001	-0.001	0.000	0.000	0.000	0.000
162	A	195	GLU	-1	-0.855	-0.916	59.201	0.035	0.035	0.000	0.000	0.000	0.000
163	A	196	ALA	0	-0.013	0.012	58.513	-0.001	-0.001	0.000	0.000	0.000	0.000
164	A	197	GLY	0	-0.001	-0.013	60.653	-0.001	-0.001	0.000	0.000	0.000	0.000
165	A	198	GLY	0	0.020	0.026	64.224	-0.001	-0.001	0.000	0.000	0.000	0.000
166	A	199	ALA	0	0.003	-0.004	66.421	-0.001	-0.001	0.000	0.000	0.000	0.000
167	A	200	ARG	1	0.944	0.966	69.623	-0.021	-0.021	0.000	0.000	0.000	0.000
168	A	201	SER	0	0.038	-0.006	65.676	0.000	0.000	0.000	0.000	0.000	0.000
169	A	202	ASN	0	0.037	0.013	67.107	0.001	0.001	0.000	0.000	0.000	0.000
170	A	203	SER	0	0.006	0.017	68.720	0.000	0.000	0.000	0.000	0.000	0.000
171	A	204	ALA	0	0.009	0.005	66.220	0.000	0.000	0.000	0.000	0.000	0.000
172	A	205	VAL	0	0.033	0.014	62.635	0.000	0.000	0.000	0.000	0.000	0.000
173	A	206	LEU	0	0.040	0.027	64.444	0.001	0.001	0.000	0.000	0.000	0.000
174	A	207	GLN	0	0.020	0.000	66.946	0.001	0.001	0.000	0.000	0.000	0.000
175	A	208	GLU	-1	-0.800	-0.882	61.172	0.032	0.032	0.000	0.000	0.000	0.000
176	A	209	TYR	0	0.000	-0.022	59.929	0.001	0.001	0.000	0.000	0.000	0.000
177	A	210	LEU	0	0.011	0.008	63.250	0.001	0.001	0.000	0.000	0.000	0.000
178	A	211	LYS	1	0.900	0.966	62.934	-0.028	-0.028	0.000	0.000	0.000	0.000
179	A	212	LEU	0	0.000	-0.006	56.802	0.000	0.000	0.000	0.000	0.000	0.000
180	A	213	LEU	0	0.011	0.000	60.339	0.001	0.001	0.000	0.000	0.000	0.000
181	A	214	GLN	0	-0.034	-0.007	62.407	0.000	0.000	0.000	0.000	0.000	0.000
182	A	215	LEU	0	-0.044	-0.026	58.999	0.000	0.000	0.000	0.000	0.000	0.000
183	A	216	VAL	0	-0.042	-0.012	56.140	0.001	0.001	0.000	0.000	0.000	0.000
184	A	217	SER	0	-0.062	-0.024	58.775	0.001	0.001	0.000	0.000	0.000	0.000
185	A	218	ALA	0	-0.030	-0.006	59.877	0.000	0.000	0.000	0.000	0.000	0.000
186	A	219	GLY	0	0.002	0.005	56.227	0.001	0.001	0.000	0.000	0.000	0.000
187	A	220	PRO	0	0.015	0.012	52.179	0.000	0.000	0.000	0.000	0.000	0.000
188	A	221	VAL	0	0.079	0.025	54.740	0.000	0.000	0.000	0.000	0.000	0.000
189	A	222	GLY	0	0.004	-0.006	53.801	-0.001	-0.001	0.000	0.000	0.000	0.000
190	A	223	LEU	0	0.006	0.004	51.779	0.000	0.000	0.000	0.000	0.000	0.000
191	A	224	HIS	0	0.056	0.029	54.532	0.000	0.000	0.000	0.000	0.000	0.000
192	A	225	ALA	0	-0.005	-0.004	57.132	-0.001	-0.001	0.000	0.000	0.000	0.000
193	A	226	PHE	0	0.034	0.017	53.260	-0.001	-0.001	0.000	0.000	0.000	0.000
194	A	227	VAL	0	0.013	0.017	56.474	-0.001	-0.001	0.000	0.000	0.000	0.000
195	A	228	LEU	0	-0.008	0.001	58.562	-0.001	-0.001	0.000	0.000	0.000	0.000
196	A	229	CYS	0	-0.037	-0.028	58.775	-0.001	-0.001	0.000	0.000	0.000	0.000
197	A	230	SER	0	-0.004	-0.016	57.398	0.000	0.000	0.000	0.000	0.000	0.000
198	A	231	CYS	0	-0.042	0.007	59.735	-0.001	-0.001	0.000	0.000	0.000	0.000
199	A	232	VAL	0	0.030	0.000	63.134	-0.001	-0.001	0.000	0.000	0.000	0.000
200	A	233	ALA	0	-0.007	0.002	61.114	-0.001	-0.001	0.000	0.000	0.000	0.000
201	A	234	PHE	0	0.010	0.003	62.255	-0.001	-0.001	0.000	0.000	0.000	0.000
202	A	235	ILE	0	-0.025	-0.029	63.807	-0.001	-0.001	0.000	0.000	0.000	0.000
203	A	236	LEU	0	-0.010	-0.010	66.120	-0.001	-0.001	0.000	0.000	0.000	0.000
204	A	237	ASP	-1	-0.902	-0.936	63.898	0.031	0.031	0.000	0.000	0.000	0.000
205	A	238	ARG	1	0.762	0.866	62.928	-0.031	-0.031	0.000	0.000	0.000	0.000
206	A	239	VAL	0	-0.021	0.011	68.615	-0.001	-0.001	0.000	0.000	0.000	0.000
207	A	240	VAL	0	-0.006	0.001	70.314	-0.001	-0.001	0.000	0.000	0.000	0.000
208	A	241	GLU	-1	-0.874	-0.944	72.398	0.023	0.023	0.000	0.000	0.000	0.000
209	A	242	LEU	0	-0.038	-0.006	69.165	0.000	0.000	0.000	0.000	0.000	0.000
210	A	243	ASP	-1	-0.767	-0.873	72.510	0.025	0.025	0.000	0.000	0.000	0.000
211	A	244	ARG	1	1.010	0.995	72.867	-0.022	-0.022	0.000	0.000	0.000	0.000
212	A	245	SER	0	-0.056	-0.048	72.201	0.001	0.001	0.000	0.000	0.000	0.000
213	A	246	LEU	0	0.047	0.018	67.167	0.001	0.001	0.000	0.000	0.000	0.000
214	A	247	LEU	0	0.036	0.029	68.478	0.001	0.001	0.000	0.000	0.000	0.000
215	A	248	THR	0	-0.053	-0.035	69.998	0.000	0.000	0.000	0.000	0.000	0.000
216	A	249	GLN	0	-0.055	-0.034	66.446	0.001	0.001	0.000	0.000	0.000	0.000
217	A	250	LEU	0	0.013	0.013	64.091	0.001	0.001	0.000	0.000	0.000	0.000
218	A	251	ARG	1	0.868	0.905	65.556	-0.028	-0.028	0.000	0.000	0.000	0.000
219	A	252	ALA	0	-0.093	-0.046	66.869	0.000	0.000	0.000	0.000	0.000	0.000
220	A	253	LEU	0	0.008	0.005	60.969	0.001	0.001	0.000	0.000	0.000	0.000
221	A	254	ARG	1	0.788	0.885	62.101	-0.032	-0.032	0.000	0.000	0.000	0.000
222	A	255	LYS	1	0.904	0.965	63.905	-0.032	-0.032	0.000	0.000	0.000	0.000
223	A	256	ALA	0	0.073	0.029	63.656	0.001	0.001	0.000	0.000	0.000	0.000
224	A	257	GLY	0	-0.029	-0.009	62.709	0.001	0.001	0.000	0.000	0.000	0.000
225	A	258	THR	0	-0.039	-0.009	60.727	0.001	0.001	0.000	0.000	0.000	0.000
226	A	259	ALA	0	0.021	0.006	55.145	0.001	0.001	0.000	0.000	0.000	0.000
227	A	260	ILE	0	-0.030	-0.010	55.187	0.002	0.002	0.000	0.000	0.000	0.000
228	A	261	PRO	0	0.043	0.023	52.253	0.000	0.000	0.000	0.000	0.000	0.000
229	A	262	LEU	0	0.070	0.035	54.278	-0.001	-0.001	0.000	0.000	0.000	0.000
230	A	263	GLN	0	0.016	-0.013	49.829	-0.003	-0.003	0.000	0.000	0.000	0.000
231	A	264	LEU	0	-0.006	-0.013	53.775	-0.001	-0.001	0.000	0.000	0.000	0.000
232	A	265	GLN	0	-0.004	0.000	56.780	-0.003	-0.003	0.000	0.000	0.000	0.000
233	A	266	MET	0	-0.003	0.023	57.885	-0.001	-0.001	0.000	0.000	0.000	0.000
234	A	267	TRP	0	0.015	0.016	56.214	-0.001	-0.001	0.000	0.000	0.000	0.000
235	A	268	SER	0	0.024	-0.020	59.733	-0.002	-0.002	0.000	0.000	0.000	0.000
236	A	269	LEU	0	-0.027	-0.004	62.549	-0.001	-0.001	0.000	0.000	0.000	0.000
237	A	270	LEU	0	-0.026	-0.032	59.905	-0.001	-0.001	0.000	0.000	0.000	0.000
238	A	271	LEU	0	-0.022	-0.007	61.393	-0.001	-0.001	0.000	0.000	0.000	0.000
239	A	272	ASP	-1	-0.743	-0.837	64.979	0.029	0.029	0.000	0.000	0.000	0.000
240	A	273	LEU	0	-0.023	-0.018	67.238	-0.001	-0.001	0.000	0.000	0.000	0.000
241	A	274	LEU	0	-0.005	-0.008	64.239	-0.001	-0.001	0.000	0.000	0.000	0.000
242	A	275	VAL	0	0.010	0.023	68.612	-0.001	-0.001	0.000	0.000	0.000	0.000
243	A	276	ALA	0	0.038	0.027	71.021	-0.001	-0.001	0.000	0.000	0.000	0.000
244	A	277	ILE	0	-0.070	-0.032	69.590	-0.001	-0.001	0.000	0.000	0.000	0.000
245	A	278	GLN	0	0.030	0.029	69.939	-0.001	-0.001	0.000	0.000	0.000	0.000
246	A	279	LEU	0	-0.018	0.000	73.401	-0.001	-0.001	0.000	0.000	0.000	0.000
247	A	280	ASP	-1	-0.866	-0.918	76.110	0.023	0.023	0.000	0.000	0.000	0.000
248	A	281	GLU	-1	-0.926	-0.967	76.579	0.024	0.024	0.000	0.000	0.000	0.000
249	A	282	ASN	0	-0.034	-0.055	76.962	0.001	0.001	0.000	0.000	0.000	0.000
250	A	283	ILE	0	0.027	0.017	72.052	0.000	0.000	0.000	0.000	0.000	0.000
251	A	284	MET	0	-0.032	-0.006	73.772	0.001	0.001	0.000	0.000	0.000	0.000
252	A	285	ASP	-1	-0.868	-0.936	74.580	0.026	0.026	0.000	0.000	0.000	0.000
253	A	286	LEU	0	0.036	0.018	69.984	0.001	0.001	0.000	0.000	0.000	0.000
254	A	287	LEU	0	-0.016	-0.007	69.656	0.001	0.001	0.000	0.000	0.000	0.000
255	A	288	THR	0	-0.023	-0.018	70.103	0.001	0.001	0.000	0.000	0.000	0.000
256	A	289	ASP	-1	-0.739	-0.839	68.370	0.032	0.032	0.000	0.000	0.000	0.000
257	A	290	PHE	0	0.001	-0.016	63.240	0.001	0.001	0.000	0.000	0.000	0.000
258	A	291	LYS	1	0.819	0.913	65.600	-0.028	-0.028	0.000	0.000	0.000	0.000
259	A	292	ASP	-1	-0.845	-0.907	66.887	0.033	0.033	0.000	0.000	0.000	0.000
260	A	293	PHE	0	-0.055	-0.006	59.209	0.001	0.001	0.000	0.000	0.000	0.000
261	A	294	PHE	0	-0.022	-0.069	60.309	0.001	0.001	0.000	0.000	0.000	0.000
262	A	295	SER	0	-0.048	-0.032	61.893	0.001	0.001	0.000	0.000	0.000	0.000
263	A	296	THR	0	-0.031	-0.033	62.714	0.001	0.001	0.000	0.000	0.000	0.000
264	A	297	HIS	0	0.013	0.019	58.419	0.002	0.002	0.000	0.000	0.000	0.000
265	A	298	LYS	1	0.842	0.891	56.774	-0.046	-0.046	0.000	0.000	0.000	0.000
266	A	299	ASP	-1	-0.820	-0.907	54.134	0.051	0.051	0.000	0.000	0.000	0.000
267	A	300	ALA	0	-0.013	-0.013	52.772	0.002	0.002	0.000	0.000	0.000	0.000
268	A	301	LEU	0	0.044	0.089	53.822	-0.001	-0.001	0.000	0.000	0.000	0.000
269	A	302	LYS	1	0.701	0.821	51.716	-0.057	-0.057	0.000	0.000	0.000	0.000
270	A	303	ASP	-1	-0.810	-0.898	48.615	0.065	0.065	0.000	0.000	0.000	0.000
271	A	304	GLY	0	-0.040	-0.016	48.898	-0.002	-0.002	0.000	0.000	0.000	0.000
272	A	305	ASP	-1	-0.852	-0.922	44.913	0.074	0.074	0.000	0.000	0.000	0.000
273	A	306	ASP	-1	-0.799	-0.879	45.014	0.067	0.067	0.000	0.000	0.000	0.000
274	A	307	THR	0	-0.001	0.007	43.026	-0.001	-0.001	0.000	0.000	0.000	0.000
275	A	308	VAL	0	-0.027	0.001	46.541	0.000	0.000	0.000	0.000	0.000	0.000
276	A	309	VAL	0	-0.046	-0.030	43.162	0.001	0.001	0.000	0.000	0.000	0.000
277	A	310	LEU	0	0.005	0.010	46.479	-0.001	-0.001	0.000	0.000	0.000	0.000
278	A	311	SER	0	0.031	0.005	45.031	0.001	0.001	0.000	0.000	0.000	0.000
279	A	312	ILE	0	-0.042	-0.021	47.144	-0.002	-0.002	0.000	0.000	0.000	0.000
280	A	313	LYS	1	0.845	0.907	44.278	-0.061	-0.061	0.000	0.000	0.000	0.000
281	A	314	GLU	-1	-0.887	-0.935	42.351	0.070	0.070	0.000	0.000	0.000	0.000
282	A	315	GLY	0	0.035	0.021	40.650	-0.001	-0.001	0.000	0.000	0.000	0.000
283	A	316	VAL	0	-0.070	-0.031	40.805	0.002	0.002	0.000	0.000	0.000	0.000
284	A	317	ASN	0	-0.002	-0.010	41.255	-0.004	-0.004	0.000	0.000	0.000	0.000
285	A	318	VAL	0	0.027	0.022	44.334	0.000	0.000	0.000	0.000	0.000	0.000
286	A	319	ARG	1	0.890	0.931	39.754	-0.079	-0.079	0.000	0.000	0.000	0.000
287	A	320	LEU	0	0.018	0.017	45.657	-0.001	-0.001	0.000	0.000	0.000	0.000
288	A	321	PHE	0	0.008	0.013	45.042	0.001	0.001	0.000	0.000	0.000	0.000
289	A	322	VAL	0	-0.014	-0.020	47.420	-0.002	-0.002	0.000	0.000	0.000	0.000
290	A	323	PRO	0	0.027	0.000	48.164	0.000	0.000	0.000	0.000	0.000	0.000
291	A	324	LEU	0	0.024	0.012	50.142	0.000	0.000	0.000	0.000	0.000	0.000
292	A	325	PHE	0	-0.055	-0.022	53.240	-0.002	-0.002	0.000	0.000	0.000	0.000
293	A	326	ASN	0	0.043	-0.006	52.302	0.001	0.001	0.000	0.000	0.000	0.000
294	A	327	TYR	0	0.051	0.012	54.538	-0.002	-0.002	0.000	0.000	0.000	0.000
295	A	328	HIS	0	0.021	0.002	53.810	-0.003	-0.003	0.000	0.000	0.000	0.000
296	A	329	ASP	-1	-0.765	-0.842	53.751	0.048	0.048	0.000	0.000	0.000	0.000
297	A	330	CYS	0	-0.020	-0.002	56.958	-0.002	-0.002	0.000	0.000	0.000	0.000
298	A	331	LYS	1	0.871	0.960	59.754	-0.040	-0.040	0.000	0.000	0.000	0.000
299	A	332	ASN	0	-0.018	-0.020	58.749	-0.003	-0.003	0.000	0.000	0.000	0.000
300	A	333	ILE	0	0.018	-0.001	59.594	-0.001	-0.001	0.000	0.000	0.000	0.000
301	A	334	LEU	0	-0.003	0.022	62.335	-0.001	-0.001	0.000	0.000	0.000	0.000
302	A	335	LEU	0	-0.002	-0.009	64.899	-0.001	-0.001	0.000	0.000	0.000	0.000
303	A	336	LEU	0	0.012	0.025	63.425	-0.001	-0.001	0.000	0.000	0.000	0.000
304	A	337	PHE	0	0.032	0.002	63.146	-0.001	-0.001	0.000	0.000	0.000	0.000
305	A	338	GLN	0	0.003	-0.001	68.108	-0.002	-0.002	0.000	0.000	0.000	0.000
306	A	339	SER	0	-0.063	-0.049	69.540	-0.001	-0.001	0.000	0.000	0.000	0.000
307	A	340	VAL	0	0.006	0.004	69.250	-0.001	-0.001	0.000	0.000	0.000	0.000
308	A	341	SER	0	-0.006	0.008	72.117	-0.001	-0.001	0.000	0.000	0.000	0.000
309	A	342	TYR	0	-0.004	-0.024	74.296	-0.001	-0.001	0.000	0.000	0.000	0.000
310	A	343	LEU	0	0.005	0.025	73.587	-0.001	-0.001	0.000	0.000	0.000	0.000
311	A	344	THR	0	0.003	-0.011	76.354	-0.001	-0.001	0.000	0.000	0.000	0.000
312	A	345	THR	0	-0.056	-0.028	79.667	-0.001	-0.001	0.000	0.000	0.000	0.000
313	A	346	CYS	0	-0.025	-0.007	78.562	0.000	0.000	0.000	0.000	0.000	0.000
314	A	347	TYR	0	0.003	-0.008	80.369	0.000	0.000	0.000	0.000	0.000	0.000
315	A	348	SER	0	-0.014	0.012	83.368	0.000	0.000	0.000	0.000	0.000	0.000
316	A	349	LYS	1	0.937	0.964	81.205	-0.021	-0.021	0.000	0.000	0.000	0.000
317	A	350	SER	0	-0.047	-0.042	82.444	0.000	0.000	0.000	0.000	0.000	0.000
318	A	351	SER	0	0.056	0.029	79.616	0.001	0.001	0.000	0.000	0.000	0.000
319	A	352	ASN	0	0.057	0.056	78.865	0.000	0.000	0.000	0.000	0.000	0.000
320	A	353	PHE	0	-0.032	-0.027	70.416	0.000	0.000	0.000	0.000	0.000	0.000
321	A	354	SER	0	0.044	-0.005	72.795	0.001	0.001	0.000	0.000	0.000	0.000
322	A	355	THR	0	-0.019	-0.028	72.654	0.000	0.000	0.000	0.000	0.000	0.000
323	A	356	LYS	1	0.830	0.916	73.337	-0.025	-0.025	0.000	0.000	0.000	0.000
324	A	357	PHE	0	-0.020	-0.012	68.709	0.001	0.001	0.000	0.000	0.000	0.000
325	A	358	LEU	0	0.051	0.036	67.918	0.001	0.001	0.000	0.000	0.000	0.000
326	A	359	PRO	0	0.019	0.011	66.984	0.001	0.001	0.000	0.000	0.000	0.000
327	A	360	LYS	1	0.943	0.983	62.730	-0.036	-0.036	0.000	0.000	0.000	0.000
328	A	361	VAL	0	0.012	0.022	63.162	0.001	0.001	0.000	0.000	0.000	0.000
329	A	362	LEU	0	-0.005	0.018	62.037	0.001	0.001	0.000	0.000	0.000	0.000
330	A	363	LYS	1	0.854	0.915	60.234	-0.037	-0.037	0.000	0.000	0.000	0.000
331	A	364	THR	0	-0.007	-0.027	58.742	0.001	0.001	0.000	0.000	0.000	0.000
332	A	365	SER	0	0.025	0.004	57.599	0.002	0.002	0.000	0.000	0.000	0.000
333	A	366	GLN	0	-0.018	-0.005	56.404	0.001	0.001	0.000	0.000	0.000	0.000
334	A	367	GLU	-1	-0.827	-0.903	55.284	0.043	0.043	0.000	0.000	0.000	0.000
335	A	368	LEU	0	-0.035	-0.008	53.321	0.002	0.002	0.000	0.000	0.000	0.000
336	A	369	LYS	1	0.837	0.904	51.697	-0.042	-0.042	0.000	0.000	0.000	0.000
337	A	370	GLU	-1	-0.907	-0.945	50.022	0.054	0.054	0.000	0.000	0.000	0.000
338	A	371	THR	0	-0.064	-0.047	49.335	0.002	0.002	0.000	0.000	0.000	0.000
339	A	372	LEU	0	-0.034	-0.003	45.942	0.003	0.003	0.000	0.000	0.000	0.000
340	A	373	GLN	0	0.032	0.007	42.016	0.004	0.004	0.000	0.000	0.000	0.000
341	A	374	LYS	1	0.809	0.889	42.457	-0.064	-0.064	0.000	0.000	0.000	0.000
342	A	375	ARG	1	0.849	0.935	36.853	-0.091	-0.091	0.000	0.000	0.000	0.000
343	A	376	THR	0	0.007	-0.011	38.883	0.002	0.002	0.000	0.000	0.000	0.000
344	A	377	SER	0	-0.009	-0.020	38.490	0.001	0.001	0.000	0.000	0.000	0.000
345	A	378	LEU	0	0.055	0.004	39.428	-0.003	-0.003	0.000	0.000	0.000	0.000
346	A	379	VAL	0	0.041	0.035	41.466	-0.003	-0.003	0.000	0.000	0.000	0.000
347	A	380	HIS	0	-0.017	0.004	41.398	-0.006	-0.006	0.000	0.000	0.000	0.000
348	A	381	VAL	0	-0.040	-0.023	42.383	-0.002	-0.002	0.000	0.000	0.000	0.000
349	A	382	GLN	0	-0.012	-0.033	45.046	-0.001	-0.001	0.000	0.000	0.000	0.000
350	A	383	SER	0	-0.015	-0.023	47.239	-0.003	-0.003	0.000	0.000	0.000	0.000
351	A	384	ILE	0	-0.019	-0.007	46.674	-0.002	-0.002	0.000	0.000	0.000	0.000
352	A	385	ARG	1	0.911	0.961	45.581	-0.061	-0.061	0.000	0.000	0.000	0.000
353	A	386	ASN	0	0.031	0.020	51.011	-0.003	-0.003	0.000	0.000	0.000	0.000
354	A	387	ILE	0	-0.022	0.003	52.470	-0.002	-0.002	0.000	0.000	0.000	0.000
355	A	388	TYR	0	-0.040	-0.046	51.719	-0.001	-0.001	0.000	0.000	0.000	0.000
356	A	389	ASP	-1	-0.800	-0.889	54.616	0.041	0.041	0.000	0.000	0.000	0.000
357	A	390	LYS	1	0.876	0.944	56.137	-0.041	-0.041	0.000	0.000	0.000	0.000
358	A	391	VAL	0	0.022	0.009	59.180	-0.002	-0.002	0.000	0.000	0.000	0.000
359	A	392	VAL	0	0.024	0.018	59.672	-0.001	-0.001	0.000	0.000	0.000	0.000
360	A	393	ASP	-1	-0.760	-0.869	61.690	0.032	0.032	0.000	0.000	0.000	0.000
361	A	394	LEU	0	-0.019	0.002	63.281	-0.001	-0.001	0.000	0.000	0.000	0.000
362	A	395	CYS	0	-0.062	-0.036	64.292	-0.001	-0.001	0.000	0.000	0.000	0.000
363	A	396	ARG	1	0.924	0.948	61.666	-0.034	-0.034	0.000	0.000	0.000	0.000
364	A	397	PHE	0	-0.004	0.012	67.770	-0.001	-0.001	0.000	0.000	0.000	0.000
365	A	398	TYR	0	0.054	0.004	67.803	-0.001	-0.001	0.000	0.000	0.000	0.000
366	A	399	GLN	0	0.017	0.004	68.980	0.000	0.000	0.000	0.000	0.000	0.000
367	A	400	THR	0	0.010	0.001	71.555	-0.001	-0.001	0.000	0.000	0.000	0.000
368	A	401	TRP	0	0.009	0.007	73.938	-0.001	-0.001	0.000	0.000	0.000	0.000
369	A	402	GLU	-1	-0.807	-0.886	75.176	0.025	0.025	0.000	0.000	0.000	0.000
370	A	403	SER	0	-0.034	-0.038	75.829	-0.001	-0.001	0.000	0.000	0.000	0.000
371	A	404	LEU	0	-0.034	-0.003	77.338	-0.001	-0.001	0.000	0.000	0.000	0.000
372	A	405	ILE	0	0.018	0.031	79.313	-0.001	-0.001	0.000	0.000	0.000	0.000
373	A	406	LEU	0	-0.004	-0.018	80.539	-0.001	-0.001	0.000	0.000	0.000	0.000
374	A	407	SER	0	-0.078	-0.037	82.133	0.000	0.000	0.000	0.000	0.000	0.000
375	A	408	GLU	-1	-0.780	-0.871	83.203	0.018	0.018	0.000	0.000	0.000	0.000
376	A	409	ARG	1	0.846	0.905	80.908	-0.018	-0.018	0.000	0.000	0.000	0.000
377	A	410	VAL	0	0.028	0.012	75.022	0.000	0.000	0.000	0.000	0.000	0.000
378	A	411	GLU	-1	-0.965	-1.000	77.340	0.022	0.022	0.000	0.000	0.000	0.000
379	A	412	GLY	0	0.049	0.038	74.079	0.001	0.001	0.000	0.000	0.000	0.000
380	A	413	GLY	0	-0.064	-0.017	73.083	0.000	0.000	0.000	0.000	0.000	0.000
381	A	414	ILE	0	0.022	0.009	71.852	0.001	0.001	0.000	0.000	0.000	0.000
382	A	415	PRO	0	-0.019	-0.007	67.697	0.000	0.000	0.000	0.000	0.000	0.000
383	A	416	ARG	1	0.953	0.969	62.707	-0.028	-0.028	0.000	0.000	0.000	0.000
384	A	417	LEU	0	-0.011	0.004	64.492	0.001	0.001	0.000	0.000	0.000	0.000
385	A	418	GLN	0	-0.017	-0.014	58.543	0.000	0.000	0.000	0.000	0.000	0.000
386	A	419	TYR	0	-0.011	-0.005	62.007	0.000	0.000	0.000	0.000	0.000	0.000
387	A	420	SER	0	0.024	0.001	64.780	-0.001	-0.001	0.000	0.000	0.000	0.000
388	A	421	GLU	-1	-0.823	-0.901	66.701	0.024	0.024	0.000	0.000	0.000	0.000
389	A	422	TYR	0	0.027	0.007	68.113	-0.001	-0.001	0.000	0.000	0.000	0.000
390	A	423	ASN	0	-0.002	-0.005	66.375	0.000	0.000	0.000	0.000	0.000	0.000
391	A	424	ILE	0	0.005	0.016	70.568	-0.001	-0.001	0.000	0.000	0.000	0.000
392	A	425	LEU	0	0.019	0.017	73.110	-0.001	-0.001	0.000	0.000	0.000	0.000
393	A	426	LEU	0	-0.002	-0.008	71.290	-0.001	-0.001	0.000	0.000	0.000	0.000
394	A	427	GLU	-1	-0.872	-0.937	74.640	0.020	0.020	0.000	0.000	0.000	0.000
395	A	428	ALA	0	-0.029	-0.007	76.362	-0.001	-0.001	0.000	0.000	0.000	0.000
396	A	429	ILE	0	0.000	-0.002	77.132	-0.001	-0.001	0.000	0.000	0.000	0.000
397	A	430	SER	0	-0.028	-0.030	77.899	-0.001	-0.001	0.000	0.000	0.000	0.000
398	A	431	SER	0	-0.006	-0.008	79.871	-0.001	-0.001	0.000	0.000	0.000	0.000
399	A	432	GLN	0	-0.023	-0.007	82.290	0.000	0.000	0.000	0.000	0.000	0.000
400	A	433	GLN	0	-0.126	-0.060	82.723	0.000	0.000	0.000	0.000	0.000	0.000
401	A	434	ALA	0	0.033	0.009	84.655	0.000	0.000	0.000	0.000	0.000	0.000
402	A	435	GLN	0	-0.058	-0.017	86.353	0.000	0.000	0.000	0.000	0.000	0.000
403	A	436	GLN	0	0.010	-0.002	89.099	0.000	0.000	0.000	0.000	0.000	0.000
404	A	437	ALA	0	-0.009	0.015	87.136	0.000	0.000	0.000	0.000	0.000	0.000
405	A	438	ASP	-1	-0.770	-0.869	85.578	0.015	0.015	0.000	0.000	0.000	0.000
406	A	439	LEU	0	0.037	-0.012	85.794	0.000	0.000	0.000	0.000	0.000	0.000
407	A	440	SER	0	-0.007	-0.012	86.592	0.000	0.000	0.000	0.000	0.000	0.000
408	A	441	HIS	0	-0.060	-0.037	78.599	0.000	0.000	0.000	0.000	0.000	0.000
409	A	442	VAL	0	0.011	0.002	81.680	0.000	0.000	0.000	0.000	0.000	0.000
410	A	443	GLY	0	0.053	0.033	81.998	0.000	0.000	0.000	0.000	0.000	0.000
411	A	444	ARG	1	0.924	0.990	80.024	-0.016	-0.016	0.000	0.000	0.000	0.000
412	A	445	LEU	0	-0.011	0.011	76.476	0.001	0.001	0.000	0.000	0.000	0.000
413	A	446	TYR	0	0.033	-0.013	77.433	0.001	0.001	0.000	0.000	0.000	0.000
414	A	447	SER	0	0.013	-0.004	78.987	0.000	0.000	0.000	0.000	0.000	0.000
415	A	448	THR	0	-0.114	-0.047	73.422	0.000	0.000	0.000	0.000	0.000	0.000
416	A	449	LEU	0	0.045	0.026	73.086	0.000	0.000	0.000	0.000	0.000	0.000
417	A	450	THR	0	-0.056	-0.022	75.185	0.000	0.000	0.000	0.000	0.000	0.000
418	A	451	LYS	1	0.861	0.920	74.126	-0.020	-0.020	0.000	0.000	0.000	0.000
419	A	452	SER	0	0.024	0.018	70.152	0.001	0.001	0.000	0.000	0.000	0.000
420	A	453	LYS	1	0.889	0.920	64.521	-0.028	-0.028	0.000	0.000	0.000	0.000
421	A	454	ASP	-1	-0.809	-0.896	68.565	0.027	0.027	0.000	0.000	0.000	0.000
422	A	455	PRO	0	-0.013	-0.029	69.442	-0.001	-0.001	0.000	0.000	0.000	0.000
423	A	456	GLU	-1	-0.895	-0.937	71.987	0.025	0.025	0.000	0.000	0.000	0.000
424	A	457	LEU	0	-0.014	-0.020	70.383	-0.001	-0.001	0.000	0.000	0.000	0.000
425	A	458	ARG	1	0.879	0.957	71.798	-0.024	-0.024	0.000	0.000	0.000	0.000
426	A	459	LEU	0	0.010	0.016	75.868	-0.001	-0.001	0.000	0.000	0.000	0.000
427	A	460	ILE	0	0.002	0.012	75.155	-0.001	-0.001	0.000	0.000	0.000	0.000
428	A	461	GLY	0	0.007	0.003	77.715	-0.001	-0.001	0.000	0.000	0.000	0.000
429	A	462	ILE	0	-0.004	-0.012	79.229	-0.001	-0.001	0.000	0.000	0.000	0.000
430	A	463	ALA	0	0.005	0.010	81.706	-0.001	-0.001	0.000	0.000	0.000	0.000
431	A	464	HIS	1	0.820	0.904	80.771	-0.020	-0.020	0.000	0.000	0.000	0.000
432	A	465	LEU	0	0.030	0.024	82.159	0.000	0.000	0.000	0.000	0.000	0.000
433	A	466	TYR	0	0.003	-0.001	85.099	-0.001	-0.001	0.000	0.000	0.000	0.000
434	A	467	THR	0	-0.061	-0.036	87.185	0.000	0.000	0.000	0.000	0.000	0.000
435	A	468	LEU	0	-0.030	-0.021	85.386	0.000	0.000	0.000	0.000	0.000	0.000
436	A	469	ILE	0	0.040	0.026	88.550	0.000	0.000	0.000	0.000	0.000	0.000
437	A	470	VAL	0	-0.008	-0.004	91.163	0.000	0.000	0.000	0.000	0.000	0.000
438	A	471	ALA	0	-0.035	-0.018	92.777	0.000	0.000	0.000	0.000	0.000	0.000
439	A	472	GLU	-1	-0.912	-0.949	90.991	0.014	0.014	0.000	0.000	0.000	0.000
440	A	473	LEU	0	0.000	0.011	95.213	0.000	0.000	0.000	0.000	0.000	0.000
441	A	474	SER	0	-0.066	-0.018	97.349	0.000	0.000	0.000	0.000	0.000	0.000
442	A	475	SER	0	-0.035	-0.031	97.423	0.000	0.000	0.000	0.000	0.000	0.000
443	A	476	CYS	0	-0.069	0.008	99.506	0.000	0.000	0.000	0.000	0.000	0.000
444	A	477	SER	0	-0.029	-0.039	100.914	0.000	0.000	0.000	0.000	0.000	0.000
445	A	478	GLU	-1	-0.847	-0.935	100.794	0.011	0.011	0.000	0.000	0.000	0.000
446	A	479	GLY	0	0.006	0.030	103.985	0.000	0.000	0.000	0.000	0.000	0.000
447	A	480	PRO	0	-0.027	-0.037	104.742	0.000	0.000	0.000	0.000	0.000	0.000
448	A	481	GLU	-1	-0.887	-0.944	103.411	0.011	0.011	0.000	0.000	0.000	0.000
449	A	482	GLY	0	0.066	0.038	100.633	0.000	0.000	0.000	0.000	0.000	0.000
450	A	483	ILE	0	0.013	-0.013	99.808	0.000	0.000	0.000	0.000	0.000	0.000
451	A	484	SER	0	-0.009	0.022	100.242	0.000	0.000	0.000	0.000	0.000	0.000
452	A	485	GLU	-1	-0.938	-0.960	96.587	0.012	0.012	0.000	0.000	0.000	0.000
453	A	486	LEU	0	0.043	0.006	94.429	0.000	0.000	0.000	0.000	0.000	0.000
454	A	487	THR	0	-0.049	-0.030	95.339	0.000	0.000	0.000	0.000	0.000	0.000
455	A	488	GLN	0	-0.003	0.002	94.171	0.000	0.000	0.000	0.000	0.000	0.000
456	A	489	LYS	1	0.840	0.902	88.437	-0.014	-0.014	0.000	0.000	0.000	0.000
457	A	490	THR	0	0.038	-0.001	90.834	0.001	0.001	0.000	0.000	0.000	0.000
458	A	491	THR	0	0.009	-0.001	91.585	0.000	0.000	0.000	0.000	0.000	0.000
459	A	492	ASP	-1	-0.867	-0.904	88.759	0.015	0.015	0.000	0.000	0.000	0.000
460	A	493	ALA	0	-0.044	-0.022	87.065	0.000	0.000	0.000	0.000	0.000	0.000
461	A	494	TRP	0	-0.010	-0.009	86.859	0.000	0.000	0.000	0.000	0.000	0.000
462	A	495	GLU	-1	-0.839	-0.911	87.711	0.017	0.017	0.000	0.000	0.000	0.000
463	A	496	GLN	0	-0.045	-0.018	82.408	0.001	0.001	0.000	0.000	0.000	0.000
464	A	497	LEU	0	-0.020	-0.017	83.019	0.001	0.001	0.000	0.000	0.000	0.000
465	A	498	GLN	0	-0.025	-0.023	83.462	0.001	0.001	0.000	0.000	0.000	0.000
466	A	499	HIS	0	0.029	0.010	79.719	0.000	0.000	0.000	0.000	0.000	0.000
467	A	500	ALA	0	-0.033	-0.017	79.081	0.001	0.001	0.000	0.000	0.000	0.000
468	A	501	TYR	0	-0.003	0.008	79.007	0.000	0.000	0.000	0.000	0.000	0.000
469	A	502	LEU	0	0.020	0.003	80.473	0.000	0.000	0.000	0.000	0.000	0.000
470	A	503	SER	0	-0.103	-0.045	77.697	0.000	0.000	0.000	0.000	0.000	0.000
471	A	504	SER	0	-0.027	-0.016	75.919	0.001	0.001	0.000	0.000	0.000	0.000
472	A	505	SER	0	0.000	-0.022	73.524	-0.001	-0.001	0.000	0.000	0.000	0.000
473	A	506	LEU	0	0.022	0.011	75.596	0.000	0.000	0.000	0.000	0.000	0.000
474	A	507	VAL	0	0.009	0.023	78.436	-0.001	-0.001	0.000	0.000	0.000	0.000
475	A	508	GLN	0	-0.084	-0.048	76.896	0.000	0.000	0.000	0.000	0.000	0.000
476	A	509	ASN	0	-0.012	-0.006	77.453	0.000	0.000	0.000	0.000	0.000	0.000
477	A	510	ASN	0	0.053	-0.006	80.486	-0.001	-0.001	0.000	0.000	0.000	0.000
478	A	511	VAL	0	-0.028	-0.009	81.439	-0.001	-0.001	0.000	0.000	0.000	0.000
479	A	512	TRP	0	0.064	0.030	78.058	-0.001	-0.001	0.000	0.000	0.000	0.000
480	A	513	LYS	1	0.852	0.967	83.039	-0.019	-0.019	0.000	0.000	0.000	0.000
481	A	514	CYS	0	-0.047	-0.031	85.681	-0.001	-0.001	0.000	0.000	0.000	0.000
482	A	515	SER	0	-0.036	-0.045	84.989	0.000	0.000	0.000	0.000	0.000	0.000
483	A	516	VAL	0	0.017	0.014	84.721	0.000	0.000	0.000	0.000	0.000	0.000
484	A	517	ALA	0	0.009	0.006	87.665	0.000	0.000	0.000	0.000	0.000	0.000
485	A	518	ILE	0	-0.029	-0.022	89.976	0.000	0.000	0.000	0.000	0.000	0.000
486	A	519	LEU	0	0.002	-0.005	86.451	0.000	0.000	0.000	0.000	0.000	0.000
487	A	520	TRP	0	-0.027	0.008	90.967	0.000	0.000	0.000	0.000	0.000	0.000
488	A	521	ALA	0	0.024	0.006	93.034	0.000	0.000	0.000	0.000	0.000	0.000
489	A	522	ILE	0	-0.039	-0.013	91.783	0.000	0.000	0.000	0.000	0.000	0.000
490	A	523	SER	0	0.002	-0.007	94.048	0.000	0.000	0.000	0.000	0.000	0.000
491	A	524	ARG	1	0.847	0.930	93.340	-0.015	-0.015	0.000	0.000	0.000	0.000
492	A	525	PHE	0	-0.004	-0.007	99.086	0.000	0.000	0.000	0.000	0.000	0.000
493	A	526	GLU	-1	-0.928	-0.973	101.661	0.012	0.012	0.000	0.000	0.000	0.000
494	A	527	PRO	0	-0.025	0.012	102.698	0.000	0.000	0.000	0.000	0.000	0.000
495	A	528	PHE	0	-0.089	-0.056	98.054	0.000	0.000	0.000	0.000	0.000	0.000
496	A	529	SER	0	0.031	0.019	98.448	0.000	0.000	0.000	0.000	0.000	0.000
497	A	530	GLY	0	0.076	0.038	100.096	0.000	0.000	0.000	0.000	0.000	0.000
498	A	531	HIS	1	0.784	0.870	101.274	-0.012	-0.012	0.000	0.000	0.000	0.000
499	A	532	PRO	0	-0.003	0.013	100.446	0.000	0.000	0.000	0.000	0.000	0.000
500	A	533	ILE	0	0.002	0.005	95.738	0.000	0.000	0.000	0.000	0.000	0.000
501	A	534	HIS	0	0.015	0.009	100.129	0.000	0.000	0.000	0.000	0.000	0.000
502	A	535	SER	0	-0.046	-0.018	99.076	0.000	0.000	0.000	0.000	0.000	0.000
503	A	536	SER	0	0.005	0.026	100.983	0.000	0.000	0.000	0.000	0.000	0.000
504	A	537	SER	0	-0.012	0.003	100.027	0.000	0.000	0.000	0.000	0.000	0.000
505	A	538	ASN	0	-0.015	-0.048	97.355	0.000	0.000	0.000	0.000	0.000	0.000
506	A	539	ASP	-1	-0.860	-0.936	96.542	0.014	0.014	0.000	0.000	0.000	0.000
507	A	540	GLN	0	0.064	0.028	93.238	0.000	0.000	0.000	0.000	0.000	0.000
508	A	541	GLN	0	0.012	-0.007	95.879	0.000	0.000	0.000	0.000	0.000	0.000
509	A	542	THR	0	0.009	-0.001	98.547	0.000	0.000	0.000	0.000	0.000	0.000
510	A	543	LEU	0	-0.016	0.006	91.188	0.000	0.000	0.000	0.000	0.000	0.000
511	A	544	TYR	0	0.038	-0.010	89.444	0.000	0.000	0.000	0.000	0.000	0.000
512	A	545	MET	0	0.014	0.019	94.404	0.000	0.000	0.000	0.000	0.000	0.000
513	A	546	GLN	0	-0.029	-0.001	93.705	0.000	0.000	0.000	0.000	0.000	0.000
514	A	547	GLN	0	0.032	0.011	89.357	0.000	0.000	0.000	0.000	0.000	0.000
515	A	548	LEU	0	-0.009	-0.005	93.479	0.000	0.000	0.000	0.000	0.000	0.000
516	A	549	ASN	0	0.014	-0.005	94.975	0.000	0.000	0.000	0.000	0.000	0.000
517	A	550	GLU	-1	-0.818	-0.881	90.626	0.018	0.018	0.000	0.000	0.000	0.000
518	A	551	PHE	0	0.023	-0.005	87.259	0.000	0.000	0.000	0.000	0.000	0.000
519	A	552	PHE	0	-0.006	-0.005	92.723	0.000	0.000	0.000	0.000	0.000	0.000
520	A	553	THR	0	-0.041	-0.037	95.670	0.000	0.000	0.000	0.000	0.000	0.000
521	A	554	ASP	-1	-0.827	-0.903	91.189	0.018	0.018	0.000	0.000	0.000	0.000
522	A	555	ASN	0	-0.038	-0.051	89.710	0.001	0.001	0.000	0.000	0.000	0.000
523	A	556	ALA	0	-0.033	0.015	92.870	0.000	0.000	0.000	0.000	0.000	0.000
524	A	557	LEU	0	-0.026	-0.008	93.678	0.000	0.000	0.000	0.000	0.000	0.000
525	A	569	PHE	0	0.020	0.001	85.134	0.000	0.000	0.000	0.000	0.000	0.000
526	A	570	LYS	1	0.799	0.908	86.196	-0.019	-0.019	0.000	0.000	0.000	0.000
527	A	571	LEU	0	-0.022	-0.012	85.317	0.001	0.001	0.000	0.000	0.000	0.000
528	A	572	LYS	1	0.850	0.922	76.324	-0.025	-0.025	0.000	0.000	0.000	0.000
529	A	573	LYS	1	0.884	0.957	83.120	-0.019	-0.019	0.000	0.000	0.000	0.000
530	A	574	SER	0	0.059	0.045	82.504	0.000	0.000	0.000	0.000	0.000	0.000
531	A	575	LEU	0	0.016	0.017	84.732	0.000	0.000	0.000	0.000	0.000	0.000
532	A	576	LEU	0	0.049	0.016	85.607	0.000	0.000	0.000	0.000	0.000	0.000
533	A	577	LEU	0	0.034	0.029	85.197	0.000	0.000	0.000	0.000	0.000	0.000
534	A	578	HIS	0	0.028	0.005	87.848	0.000	0.000	0.000	0.000	0.000	0.000
535	A	579	PHE	0	-0.002	0.001	90.710	0.000	0.000	0.000	0.000	0.000	0.000
536	A	580	LEU	0	0.003	-0.002	89.377	0.000	0.000	0.000	0.000	0.000	0.000
537	A	581	LEU	0	0.004	0.016	91.357	0.000	0.000	0.000	0.000	0.000	0.000
538	A	582	ASN	0	-0.019	-0.021	93.664	0.000	0.000	0.000	0.000	0.000	0.000
539	A	583	TYR	0	0.019	0.015	96.073	0.000	0.000	0.000	0.000	0.000	0.000
540	A	584	LEU	0	0.019	0.022	94.679	0.000	0.000	0.000	0.000	0.000	0.000
541	A	585	GLY	0	0.039	0.018	97.638	0.000	0.000	0.000	0.000	0.000	0.000
542	A	586	GLY	0	-0.029	-0.035	99.348	0.000	0.000	0.000	0.000	0.000	0.000
543	A	587	THR	0	-0.066	-0.042	101.242	0.000	0.000	0.000	0.000	0.000	0.000
544	A	588	MET	0	-0.027	-0.006	98.328	0.000	0.000	0.000	0.000	0.000	0.000
545	A	589	LEU	0	-0.029	-0.005	99.274	0.000	0.000	0.000	0.000	0.000	0.000
546	A	590	VAL	0	-0.061	-0.012	102.818	0.000	0.000	0.000	0.000	0.000	0.000
547	A	591	SER	0	0.026	0.012	105.485	0.000	0.000	0.000	0.000	0.000	0.000
548	A	592	ASP	-1	-0.833	-0.904	108.594	0.012	0.012	0.000	0.000	0.000	0.000
549	A	593	VAL	0	0.065	0.015	108.750	0.000	0.000	0.000	0.000	0.000	0.000
550	A	594	GLN	0	-0.031	-0.026	109.367	0.000	0.000	0.000	0.000	0.000	0.000
551	A	595	LYS	1	0.997	1.003	102.079	-0.014	-0.014	0.000	0.000	0.000	0.000
552	A	596	ARG	1	0.891	0.948	104.501	-0.012	-0.012	0.000	0.000	0.000	0.000
553	A	597	CYS	0	-0.038	0.010	104.544	0.000	0.000	0.000	0.000	0.000	0.000
554	A	598	ASP	-1	-0.878	-0.931	102.878	0.014	0.014	0.000	0.000	0.000	0.000
555	A	599	ILE	0	-0.024	-0.015	99.101	0.000	0.000	0.000	0.000	0.000	0.000
556	A	600	SER	0	0.009	-0.011	99.742	0.000	0.000	0.000	0.000	0.000	0.000
557	A	601	SER	0	-0.015	0.009	101.020	0.000	0.000	0.000	0.000	0.000	0.000
558	A	602	SER	0	-0.037	-0.022	96.876	0.000	0.000	0.000	0.000	0.000	0.000
559	A	603	CYS	0	-0.003	-0.009	95.875	0.000	0.000	0.000	0.000	0.000	0.000
560	A	604	PHE	0	0.004	0.012	95.952	0.000	0.000	0.000	0.000	0.000	0.000
561	A	605	GLN	0	-0.009	-0.020	96.013	0.000	0.000	0.000	0.000	0.000	0.000
562	A	606	MET	0	0.022	0.024	92.086	0.000	0.000	0.000	0.000	0.000	0.000
563	A	607	GLY	0	0.002	0.000	91.381	0.000	0.000	0.000	0.000	0.000	0.000
564	A	608	LYS	1	0.902	0.949	92.316	-0.017	-0.017	0.000	0.000	0.000	0.000
565	A	609	GLN	0	-0.056	-0.043	88.821	0.000	0.000	0.000	0.000	0.000	0.000
566	A	610	GLN	0	0.013	0.011	85.156	0.001	0.001	0.000	0.000	0.000	0.000
567	A	611	TYR	0	-0.024	0.000	85.598	-0.001	-0.001	0.000	0.000	0.000	0.000
568	A	612	MET	0	0.008	0.002	87.241	0.000	0.000	0.000	0.000	0.000	0.000
569	A	613	PRO	0	0.031	0.024	90.005	0.000	0.000	0.000	0.000	0.000	0.000
570	A	614	GLY	0	0.073	0.035	92.539	0.000	0.000	0.000	0.000	0.000	0.000
571	A	615	MET	0	0.036	0.011	90.781	0.000	0.000	0.000	0.000	0.000	0.000
572	A	616	ARG	1	0.848	0.931	94.137	-0.016	-0.016	0.000	0.000	0.000	0.000
573	A	617	TYR	0	0.055	0.017	95.865	0.000	0.000	0.000	0.000	0.000	0.000
574	A	618	VAL	0	0.029	0.012	96.798	0.000	0.000	0.000	0.000	0.000	0.000
575	A	619	ALA	0	-0.008	-0.008	97.579	0.000	0.000	0.000	0.000	0.000	0.000
576	A	620	GLY	0	0.031	0.011	99.478	0.000	0.000	0.000	0.000	0.000	0.000
577	A	621	ILE	0	0.011	0.003	101.793	0.000	0.000	0.000	0.000	0.000	0.000
578	A	622	TRP	0	-0.014	0.007	99.712	0.000	0.000	0.000	0.000	0.000	0.000
579	A	623	HIS	0	0.007	-0.010	102.979	0.000	0.000	0.000	0.000	0.000	0.000
580	A	624	LEU	0	-0.013	0.007	104.959	0.000	0.000	0.000	0.000	0.000	0.000
581	A	625	MET	0	0.019	0.023	107.624	0.000	0.000	0.000	0.000	0.000	0.000
582	A	626	ASN	0	-0.012	-0.022	105.271	0.000	0.000	0.000	0.000	0.000	0.000
583	A	627	SER	0	-0.020	-0.026	107.641	0.000	0.000	0.000	0.000	0.000	0.000
584	A	628	THR	0	-0.032	-0.031	110.246	0.000	0.000	0.000	0.000	0.000	0.000
585	A	629	VAL	0	0.001	0.009	112.603	0.000	0.000	0.000	0.000	0.000	0.000
586	A	630	ALA	0	-0.040	-0.011	111.844	0.000	0.000	0.000	0.000	0.000	0.000
587	A	631	MET	0	-0.019	-0.013	113.840	0.000	0.000	0.000	0.000	0.000	0.000
588	A	632	LYS	1	0.923	0.968	108.791	-0.013	-0.013	0.000	0.000	0.000	0.000
589	A	633	THR	0	0.041	-0.002	112.636	0.000	0.000	0.000	0.000	0.000	0.000
590	A	634	LYS	1	0.973	0.982	111.757	-0.012	-0.012	0.000	0.000	0.000	0.000
591	A	635	GLU	-1	-0.812	-0.923	105.567	0.013	0.013	0.000	0.000	0.000	0.000
592	A	636	VAL	0	0.023	0.015	108.392	0.000	0.000	0.000	0.000	0.000	0.000
593	A	637	ALA	0	-0.019	-0.002	109.911	0.000	0.000	0.000	0.000	0.000	0.000
594	A	638	ILE	0	0.000	0.001	104.903	0.000	0.000	0.000	0.000	0.000	0.000
595	A	639	THR	0	-0.016	-0.003	104.357	0.000	0.000	0.000	0.000	0.000	0.000
596	A	640	ARG	1	0.887	0.941	105.046	-0.011	-0.011	0.000	0.000	0.000	0.000
597	A	641	ALA	0	0.021	0.012	106.463	0.000	0.000	0.000	0.000	0.000	0.000
598	A	642	LYS	1	0.840	0.925	101.261	-0.014	-0.014	0.000	0.000	0.000	0.000
599	A	643	LEU	0	-0.008	-0.013	101.524	0.000	0.000	0.000	0.000	0.000	0.000
600	A	644	GLU	-1	-0.807	-0.896	102.664	0.012	0.012	0.000	0.000	0.000	0.000
601	A	645	GLY	0	0.028	0.028	101.235	0.000	0.000	0.000	0.000	0.000	0.000
602	A	646	LEU	0	-0.127	-0.064	96.630	0.000	0.000	0.000	0.000	0.000	0.000
603	A	647	VAL	0	0.038	0.003	98.152	0.000	0.000	0.000	0.000	0.000	0.000
604	A	648	ASP	-1	-0.883	-0.920	99.763	0.013	0.013	0.000	0.000	0.000	0.000
605	A	649	LYS	1	0.894	0.939	94.165	-0.015	-0.015	0.000	0.000	0.000	0.000
606	A	650	MET	0	-0.064	-0.027	94.740	0.000	0.000	0.000	0.000	0.000	0.000
607	A	651	LEU	0	0.007	0.016	95.546	0.000	0.000	0.000	0.000	0.000	0.000
608	A	652	ASN	0	-0.085	-0.033	93.240	0.000	0.000	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:34:MET)