FMO DATABASE

FMODB ID: ZVJLN

Calculation Name: 2G3M-C-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2G3M

Chain ID: C

ChEMBL ID:

UniProt ID: P0CD66

Base Structure: X-ray

Registration Date: 2023-09-24

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	691
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-18624595.407899
FMO2-HF: Nuclear repulsion	18347002.485373
FMO2-HF: Total energy	-277592.922527
FMO2-MP2: Total energy	-278416.503072

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(C:3:ILE)

Summations of interaction energy for fragment #1(C:3:ILE)

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.
-6.604	-4.034	8.668	-2.911	-8.324	-0.008

Interaction energy analysis for fragmet #1(C:3:ILE)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.011 / q_NPA : 0.001

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	C	5	LYS	1	0.916	0.959	2.157	-1.759	-0.407	3.415	-1.644	-3.122	0.010
4	C	6	ILE	0	0.029	0.020	5.163	-0.350	-0.333	-0.001	-0.001	-0.014	0.000
5	C	7	TYR	0	-0.027	-0.004	7.408	0.102	0.102	0.000	0.000	0.000	0.000
6	C	8	GLU	-1	-0.841	-0.934	11.301	0.065	0.065	0.000	0.000	0.000	0.000
7	C	9	ASN	0	-0.004	-0.015	15.011	0.030	0.030	0.000	0.000	0.000	0.000
8	C	10	LYS	1	0.891	0.946	18.070	0.031	0.031	0.000	0.000	0.000	0.000
9	C	11	GLY	0	0.038	0.022	20.657	-0.009	-0.009	0.000	0.000	0.000	0.000
10	C	12	VAL	0	0.008	0.011	16.125	-0.008	-0.008	0.000	0.000	0.000	0.000
11	C	13	TYR	0	0.008	0.002	13.536	0.007	0.007	0.000	0.000	0.000	0.000
12	C	14	LYS	1	0.917	0.980	9.807	0.469	0.469	0.000	0.000	0.000	0.000
13	C	15	VAL	0	-0.009	-0.003	8.248	0.054	0.054	0.000	0.000	0.000	0.000
14	C	16	VAL	0	-0.029	-0.027	4.598	-0.125	0.012	-0.001	-0.008	-0.129	0.000
15	C	17	ILE	0	0.000	0.004	4.227	-0.704	-0.425	0.000	-0.082	-0.197	0.000
16	C	18	GLY	0	0.026	-0.014	1.956	-0.184	0.072	4.501	-2.791	-1.966	-0.002
17	C	19	GLU	-1	-0.992	-1.002	2.398	-1.535	-2.233	0.702	2.187	-2.191	-0.011
18	C	20	PRO	0	-0.034	-0.013	4.884	0.390	0.501	-0.001	-0.007	-0.102	0.000
19	C	21	PHE	0	-0.008	-0.003	8.535	0.124	0.124	0.000	0.000	0.000	0.000
20	C	22	PRO	0	0.004	0.011	11.326	0.067	0.067	0.000	0.000	0.000	0.000
21	C	23	PRO	0	0.069	0.040	14.134	0.040	0.040	0.000	0.000	0.000	0.000
22	C	24	ILE	0	0.020	0.018	17.268	0.044	0.044	0.000	0.000	0.000	0.000
23	C	25	GLU	-1	-0.973	-0.970	14.159	-0.489	-0.489	0.000	0.000	0.000	0.000
24	C	26	PHE	0	-0.014	0.007	16.117	0.047	0.047	0.000	0.000	0.000	0.000
25	C	27	PRO	0	-0.018	-0.007	16.252	-0.020	-0.020	0.000	0.000	0.000	0.000
26	C	28	LEU	0	0.036	-0.008	13.740	0.006	0.006	0.000	0.000	0.000	0.000
27	C	29	GLU	-1	-0.909	-0.953	16.590	-0.064	-0.064	0.000	0.000	0.000	0.000
28	C	30	GLN	0	-0.044	0.002	17.655	0.010	0.010	0.000	0.000	0.000	0.000
29	C	31	LYS	1	0.975	0.992	12.768	0.108	0.108	0.000	0.000	0.000	0.000
30	C	32	ILE	0	0.017	0.016	13.887	0.027	0.027	0.000	0.000	0.000	0.000
31	C	33	SER	0	-0.026	-0.032	11.724	-0.038	-0.038	0.000	0.000	0.000	0.000
32	C	34	SER	0	-0.012	-0.018	11.761	-0.030	-0.030	0.000	0.000	0.000	0.000
33	C	35	ASN	0	-0.042	-0.018	13.563	0.088	0.088	0.000	0.000	0.000	0.000
34	C	36	LYS	1	0.937	0.994	15.142	-0.088	-0.088	0.000	0.000	0.000	0.000
35	C	37	SER	0	-0.004	0.007	12.658	0.003	0.003	0.000	0.000	0.000	0.000
36	C	38	LEU	0	0.052	0.001	8.963	-0.059	-0.059	0.000	0.000	0.000	0.000
37	C	39	SER	0	0.002	-0.003	12.545	-0.088	-0.088	0.000	0.000	0.000	0.000
38	C	40	GLU	-1	-0.865	-0.938	15.403	0.261	0.261	0.000	0.000	0.000	0.000
39	C	41	LEU	0	-0.066	-0.022	13.173	-0.044	-0.044	0.000	0.000	0.000	0.000
40	C	42	GLY	0	-0.036	-0.009	17.015	-0.040	-0.040	0.000	0.000	0.000	0.000
41	C	43	LEU	0	-0.058	-0.030	13.622	-0.043	-0.043	0.000	0.000	0.000	0.000
42	C	44	THR	0	0.004	0.009	12.617	0.110	0.110	0.000	0.000	0.000	0.000
43	C	45	ILE	0	-0.017	-0.011	7.109	-0.127	-0.127	0.000	0.000	0.000	0.000
44	C	46	VAL	0	0.012	0.011	8.866	0.228	0.228	0.000	0.000	0.000	0.000
45	C	47	GLN	0	-0.015	0.002	3.175	-1.214	-0.098	0.053	-0.565	-0.603	-0.005
46	C	48	GLN	0	0.004	-0.015	7.679	0.155	0.155	0.000	0.000	0.000	0.000
47	C	49	GLY	0	0.003	-0.006	10.389	-0.144	-0.144	0.000	0.000	0.000	0.000
48	C	50	ASN	0	-0.057	-0.024	11.276	-0.046	-0.046	0.000	0.000	0.000	0.000
49	C	51	LYS	1	0.931	0.969	10.972	0.386	0.386	0.000	0.000	0.000	0.000
50	C	52	VAL	0	0.031	0.036	7.584	-0.049	-0.049	0.000	0.000	0.000	0.000
51	C	53	ILE	0	-0.031	-0.012	10.187	0.049	0.049	0.000	0.000	0.000	0.000
52	C	54	VAL	0	-0.003	-0.008	11.022	0.040	0.040	0.000	0.000	0.000	0.000
53	C	55	GLU	-1	-0.913	-0.960	13.214	0.032	0.032	0.000	0.000	0.000	0.000
54	C	56	LYS	1	0.856	0.912	16.039	0.046	0.046	0.000	0.000	0.000	0.000
55	C	57	SER	0	-0.008	0.004	18.776	-0.004	-0.004	0.000	0.000	0.000	0.000
56	C	58	LEU	0	-0.044	-0.016	22.103	-0.015	-0.015	0.000	0.000	0.000	0.000
57	C	59	ASP	-1	-0.852	-0.930	25.287	0.042	0.042	0.000	0.000	0.000	0.000
58	C	60	LEU	0	-0.024	-0.036	28.632	-0.009	-0.009	0.000	0.000	0.000	0.000
59	C	61	LYS	1	0.923	0.942	32.027	-0.009	-0.009	0.000	0.000	0.000	0.000
60	C	62	GLU	-1	-0.756	-0.803	25.060	-0.013	-0.013	0.000	0.000	0.000	0.000
61	C	63	HIS	1	0.798	0.879	29.919	0.019	0.019	0.000	0.000	0.000	0.000
62	C	64	ILE	0	-0.006	0.005	24.623	-0.002	-0.002	0.000	0.000	0.000	0.000
63	C	65	ILE	0	0.030	0.033	27.648	-0.001	-0.001	0.000	0.000	0.000	0.000
64	C	66	GLY	0	0.026	0.022	26.711	-0.009	-0.009	0.000	0.000	0.000	0.000
65	C	67	LEU	0	-0.031	-0.023	23.354	0.006	0.006	0.000	0.000	0.000	0.000
66	C	68	GLY	0	0.004	-0.009	26.315	-0.006	-0.006	0.000	0.000	0.000	0.000
67	C	69	GLU	-1	-0.832	-0.935	28.753	-0.110	-0.110	0.000	0.000	0.000	0.000
68	C	70	LYS	1	0.825	0.920	26.715	0.149	0.149	0.000	0.000	0.000	0.000
69	C	71	ALA	0	0.027	0.026	32.091	0.007	0.007	0.000	0.000	0.000	0.000
70	C	72	PHE	0	-0.024	-0.037	32.637	0.003	0.003	0.000	0.000	0.000	0.000
71	C	73	GLU	-1	-0.789	-0.882	34.813	-0.058	-0.058	0.000	0.000	0.000	0.000
72	C	74	LEU	0	-0.033	-0.032	33.457	-0.006	-0.006	0.000	0.000	0.000	0.000
73	C	75	ASP	-1	-0.872	-0.924	31.363	-0.046	-0.046	0.000	0.000	0.000	0.000
74	C	76	ARG	1	0.823	0.887	27.928	0.095	0.095	0.000	0.000	0.000	0.000
75	C	77	LYS	1	0.857	0.943	28.585	0.019	0.019	0.000	0.000	0.000	0.000
76	C	78	ARG	1	0.785	0.894	28.770	0.024	0.024	0.000	0.000	0.000	0.000
77	C	79	LYS	1	0.967	1.001	28.233	0.084	0.084	0.000	0.000	0.000	0.000
78	C	80	ARG	1	0.891	0.940	20.992	0.132	0.132	0.000	0.000	0.000	0.000
79	C	81	TYR	0	-0.054	-0.046	25.019	-0.001	-0.001	0.000	0.000	0.000	0.000
80	C	82	VAL	0	-0.008	-0.009	23.746	-0.021	-0.021	0.000	0.000	0.000	0.000
81	C	83	MET	0	-0.064	-0.021	22.198	0.017	0.017	0.000	0.000	0.000	0.000
82	C	84	TYR	0	-0.006	-0.028	22.778	-0.035	-0.035	0.000	0.000	0.000	0.000
83	C	85	ASN	0	0.048	0.070	25.632	0.015	0.015	0.000	0.000	0.000	0.000
84	C	86	VAL	0	-0.006	-0.003	28.309	-0.006	-0.006	0.000	0.000	0.000	0.000
85	C	87	ASP	-1	-0.787	-0.875	31.460	-0.103	-0.103	0.000	0.000	0.000	0.000
86	C	88	ALA	0	0.014	-0.005	35.023	0.003	0.003	0.000	0.000	0.000	0.000
87	C	89	GLY	0	0.032	0.016	36.323	0.005	0.005	0.000	0.000	0.000	0.000
88	C	90	ALA	0	-0.013	0.011	39.953	0.000	0.000	0.000	0.000	0.000	0.000
89	C	91	TYR	0	-0.062	-0.050	37.900	0.004	0.004	0.000	0.000	0.000	0.000
90	C	92	LYS	1	0.980	0.988	39.377	0.068	0.068	0.000	0.000	0.000	0.000
91	C	93	LYS	1	0.975	0.981	38.575	0.046	0.046	0.000	0.000	0.000	0.000
92	C	94	TYR	0	-0.122	-0.092	35.474	0.004	0.004	0.000	0.000	0.000	0.000
93	C	95	GLN	0	-0.024	0.007	34.944	0.003	0.003	0.000	0.000	0.000	0.000
94	C	96	ASP	-1	-0.783	-0.882	28.424	-0.143	-0.143	0.000	0.000	0.000	0.000
95	C	97	PRO	0	-0.078	-0.033	27.941	0.002	0.002	0.000	0.000	0.000	0.000
96	C	98	LEU	0	0.000	-0.025	30.034	0.008	0.008	0.000	0.000	0.000	0.000
97	C	99	TYR	0	0.063	0.036	30.638	-0.010	-0.010	0.000	0.000	0.000	0.000
98	C	100	VAL	0	-0.040	0.000	28.244	-0.013	-0.013	0.000	0.000	0.000	0.000
99	C	101	SER	0	-0.025	-0.044	24.053	0.002	0.002	0.000	0.000	0.000	0.000
100	C	102	ILE	0	-0.001	0.005	23.877	-0.020	-0.020	0.000	0.000	0.000	0.000
101	C	103	PRO	0	-0.026	0.001	19.212	0.020	0.020	0.000	0.000	0.000	0.000
102	C	104	LEU	0	-0.008	-0.018	19.774	-0.023	-0.023	0.000	0.000	0.000	0.000
103	C	105	PHE	0	-0.008	0.007	19.465	0.015	0.015	0.000	0.000	0.000	0.000
104	C	106	ILE	0	0.016	-0.011	22.541	-0.004	-0.004	0.000	0.000	0.000	0.000
105	C	107	SER	0	-0.071	-0.056	23.911	0.006	0.006	0.000	0.000	0.000	0.000
106	C	108	VAL	0	0.023	0.002	25.688	0.003	0.003	0.000	0.000	0.000	0.000
107	C	109	LYS	1	0.950	0.977	24.314	-0.035	-0.035	0.000	0.000	0.000	0.000
108	C	110	ASP	-1	-0.890	-0.940	29.287	0.033	0.033	0.000	0.000	0.000	0.000
109	C	111	GLY	0	-0.001	-0.003	32.226	0.002	0.002	0.000	0.000	0.000	0.000
110	C	112	VAL	0	-0.048	-0.009	26.778	-0.005	-0.005	0.000	0.000	0.000	0.000
111	C	113	ALA	0	-0.026	-0.017	27.306	-0.002	-0.002	0.000	0.000	0.000	0.000
112	C	114	THR	0	0.005	0.003	20.777	0.007	0.007	0.000	0.000	0.000	0.000
113	C	115	GLY	0	-0.017	-0.010	21.802	-0.004	-0.004	0.000	0.000	0.000	0.000
114	C	116	TYR	0	0.009	0.007	17.015	0.003	0.003	0.000	0.000	0.000	0.000
115	C	117	PHE	0	-0.004	-0.006	17.373	-0.006	-0.006	0.000	0.000	0.000	0.000
116	C	118	PHE	0	0.062	0.008	13.857	-0.044	-0.044	0.000	0.000	0.000	0.000
117	C	119	ASN	0	-0.040	-0.008	14.097	0.065	0.065	0.000	0.000	0.000	0.000
118	C	120	SER	0	0.005	-0.017	14.320	-0.049	-0.049	0.000	0.000	0.000	0.000
119	C	121	ALA	0	-0.027	-0.010	16.107	0.052	0.052	0.000	0.000	0.000	0.000
120	C	122	SER	0	0.010	0.009	16.394	0.044	0.044	0.000	0.000	0.000	0.000
121	C	123	LYS	1	0.950	0.980	19.015	0.245	0.245	0.000	0.000	0.000	0.000
122	C	124	VAL	0	-0.030	-0.017	16.934	-0.003	-0.003	0.000	0.000	0.000	0.000
123	C	125	ILE	0	-0.037	-0.015	18.571	0.040	0.040	0.000	0.000	0.000	0.000
124	C	126	PHE	0	0.032	0.009	19.229	-0.014	-0.014	0.000	0.000	0.000	0.000
125	C	127	ASP	-1	-0.770	-0.861	20.952	-0.073	-0.073	0.000	0.000	0.000	0.000
126	C	128	VAL	0	0.024	0.017	22.507	0.010	0.010	0.000	0.000	0.000	0.000
127	C	129	GLY	0	0.051	0.021	24.362	0.006	0.006	0.000	0.000	0.000	0.000
128	C	130	LEU	0	-0.103	-0.048	25.574	0.007	0.007	0.000	0.000	0.000	0.000
129	C	131	GLU	-1	-0.986	-1.003	21.204	-0.065	-0.065	0.000	0.000	0.000	0.000
130	C	132	GLU	-1	-0.855	-0.930	22.809	0.022	0.022	0.000	0.000	0.000	0.000
131	C	133	TYR	0	-0.054	-0.026	25.042	-0.007	-0.007	0.000	0.000	0.000	0.000
132	C	134	ASP	-1	-0.875	-0.932	25.279	0.036	0.036	0.000	0.000	0.000	0.000
133	C	135	LYS	1	0.907	0.948	19.718	-0.053	-0.053	0.000	0.000	0.000	0.000
134	C	136	VAL	0	-0.031	0.003	20.106	-0.013	-0.013	0.000	0.000	0.000	0.000
135	C	137	ILE	0	0.038	0.014	17.065	-0.002	-0.002	0.000	0.000	0.000	0.000
136	C	138	VAL	0	-0.002	-0.001	15.792	-0.012	-0.012	0.000	0.000	0.000	0.000
137	C	139	THR	0	-0.031	-0.017	14.901	-0.019	-0.019	0.000	0.000	0.000	0.000
138	C	140	ILE	0	0.030	0.014	12.328	0.028	0.028	0.000	0.000	0.000	0.000
139	C	141	PRO	0	-0.030	-0.008	13.196	-0.072	-0.072	0.000	0.000	0.000	0.000
140	C	142	GLU	-1	-0.872	-0.934	11.803	-0.736	-0.736	0.000	0.000	0.000	0.000
141	C	143	ASP	-1	-0.886	-0.941	8.124	-1.625	-1.625	0.000	0.000	0.000	0.000
142	C	144	SER	0	0.008	0.002	6.114	-0.865	-0.865	0.000	0.000	0.000	0.000
143	C	145	VAL	0	-0.031	-0.016	7.285	0.417	0.417	0.000	0.000	0.000	0.000
144	C	146	GLU	-1	-0.823	-0.901	7.976	-0.887	-0.887	0.000	0.000	0.000	0.000
145	C	147	PHE	0	0.000	-0.011	9.869	0.121	0.121	0.000	0.000	0.000	0.000
146	C	148	TYR	0	-0.048	-0.057	12.037	0.019	0.019	0.000	0.000	0.000	0.000
147	C	149	VAL	0	0.004	0.021	14.363	0.010	0.010	0.000	0.000	0.000	0.000
148	C	150	ILE	0	-0.057	-0.035	16.754	0.014	0.014	0.000	0.000	0.000	0.000
149	C	151	GLU	-1	-0.822	-0.915	19.941	0.013	0.013	0.000	0.000	0.000	0.000
150	C	152	GLY	0	0.035	0.036	22.339	-0.010	-0.010	0.000	0.000	0.000	0.000
151	C	153	PRO	0	-0.054	-0.039	26.036	0.002	0.002	0.000	0.000	0.000	0.000
152	C	154	ARG	1	0.886	0.928	28.369	0.029	0.029	0.000	0.000	0.000	0.000
153	C	155	ILE	0	0.047	0.008	28.734	-0.006	-0.006	0.000	0.000	0.000	0.000
154	C	156	GLU	-1	-0.843	-0.916	28.811	-0.051	-0.051	0.000	0.000	0.000	0.000
155	C	157	ASP	-1	-0.800	-0.890	27.408	-0.034	-0.034	0.000	0.000	0.000	0.000
156	C	158	VAL	0	-0.022	-0.005	23.327	-0.008	-0.008	0.000	0.000	0.000	0.000
157	C	159	LEU	0	0.029	0.006	24.656	-0.014	-0.014	0.000	0.000	0.000	0.000
158	C	160	GLU	-1	-0.853	-0.872	26.690	-0.060	-0.060	0.000	0.000	0.000	0.000
159	C	161	LYS	1	0.879	0.949	22.241	0.041	0.041	0.000	0.000	0.000	0.000
160	C	162	TYR	0	0.018	0.002	21.120	-0.012	-0.012	0.000	0.000	0.000	0.000
161	C	163	THR	0	-0.019	-0.014	22.929	-0.018	-0.018	0.000	0.000	0.000	0.000
162	C	164	GLU	-1	-0.992	-0.987	23.374	-0.099	-0.099	0.000	0.000	0.000	0.000
163	C	165	LEU	0	-0.085	-0.022	17.074	-0.010	-0.010	0.000	0.000	0.000	0.000
164	C	166	THR	0	-0.016	-0.028	20.181	-0.014	-0.014	0.000	0.000	0.000	0.000
165	C	167	GLY	0	-0.015	-0.001	22.260	-0.006	-0.006	0.000	0.000	0.000	0.000
166	C	168	LYS	1	0.964	0.983	25.693	0.087	0.087	0.000	0.000	0.000	0.000
167	C	169	PRO	0	-0.012	-0.002	29.129	-0.005	-0.005	0.000	0.000	0.000	0.000
168	C	170	PHE	0	-0.003	0.010	31.789	0.007	0.007	0.000	0.000	0.000	0.000
169	C	171	LEU	0	0.019	-0.002	34.222	0.002	0.002	0.000	0.000	0.000	0.000
170	C	172	PRO	0	-0.039	0.012	37.607	0.001	0.001	0.000	0.000	0.000	0.000
171	C	173	PRO	0	0.063	0.042	40.149	0.004	0.004	0.000	0.000	0.000	0.000
172	C	174	MET	0	0.040	0.005	43.933	0.000	0.000	0.000	0.000	0.000	0.000
173	C	175	TRP	0	-0.023	-0.028	45.063	0.001	0.001	0.000	0.000	0.000	0.000
174	C	176	ALA	0	-0.011	0.005	42.512	0.000	0.000	0.000	0.000	0.000	0.000
175	C	177	PHE	0	-0.047	-0.011	40.024	-0.002	-0.002	0.000	0.000	0.000	0.000
176	C	178	GLY	0	0.010	0.005	45.258	0.003	0.003	0.000	0.000	0.000	0.000
177	C	179	TYR	0	-0.031	-0.037	47.977	-0.002	-0.002	0.000	0.000	0.000	0.000
178	C	180	MET	0	-0.035	0.015	45.511	0.001	0.001	0.000	0.000	0.000	0.000
179	C	181	ILE	0	0.025	0.017	49.469	0.000	0.000	0.000	0.000	0.000	0.000
180	C	182	SER	0	-0.024	-0.066	47.957	-0.002	-0.002	0.000	0.000	0.000	0.000
181	C	183	ARG	1	0.906	0.949	50.089	0.053	0.053	0.000	0.000	0.000	0.000
182	C	184	TYR	0	0.026	0.047	47.494	-0.001	-0.001	0.000	0.000	0.000	0.000
183	C	185	SER	0	0.028	-0.063	49.965	0.000	0.000	0.000	0.000	0.000	0.000
184	C	186	TYR	0	-0.107	-0.090	51.984	0.002	0.002	0.000	0.000	0.000	0.000
185	C	187	TYR	0	-0.036	-0.019	54.410	-0.001	-0.001	0.000	0.000	0.000	0.000
186	C	188	PRO	0	-0.011	-0.012	56.936	0.001	0.001	0.000	0.000	0.000	0.000
187	C	189	GLN	0	0.079	0.003	57.682	-0.001	-0.001	0.000	0.000	0.000	0.000
188	C	190	ASP	-1	-0.864	-0.930	58.627	-0.042	-0.042	0.000	0.000	0.000	0.000
189	C	191	LYS	1	0.870	0.935	59.946	0.042	0.042	0.000	0.000	0.000	0.000
190	C	192	VAL	0	-0.026	0.000	55.133	0.000	0.000	0.000	0.000	0.000	0.000
191	C	193	VAL	0	0.012	0.001	57.994	0.000	0.000	0.000	0.000	0.000	0.000
192	C	194	GLU	-1	-0.883	-0.939	60.246	-0.038	-0.038	0.000	0.000	0.000	0.000
193	C	195	LEU	0	-0.001	0.008	56.784	0.001	0.001	0.000	0.000	0.000	0.000
194	C	196	VAL	0	-0.003	-0.003	56.483	0.001	0.001	0.000	0.000	0.000	0.000
195	C	197	ASP	-1	-0.782	-0.866	59.172	-0.037	-0.037	0.000	0.000	0.000	0.000
196	C	198	ILE	0	-0.037	-0.019	62.740	0.001	0.001	0.000	0.000	0.000	0.000
197	C	199	MET	0	-0.016	0.001	56.245	0.001	0.001	0.000	0.000	0.000	0.000
198	C	200	GLN	0	-0.031	-0.018	58.296	0.002	0.002	0.000	0.000	0.000	0.000
199	C	201	LYS	1	0.908	0.959	61.557	0.031	0.031	0.000	0.000	0.000	0.000
200	C	202	GLU	-1	-0.912	-0.966	63.552	-0.031	-0.031	0.000	0.000	0.000	0.000
201	C	203	GLY	0	-0.022	-0.005	62.660	0.001	0.001	0.000	0.000	0.000	0.000
202	C	204	PHE	0	0.000	0.010	57.529	0.000	0.000	0.000	0.000	0.000	0.000
203	C	205	ARG	1	0.921	0.969	53.596	0.040	0.040	0.000	0.000	0.000	0.000
204	C	206	VAL	0	0.022	0.010	53.351	-0.001	-0.001	0.000	0.000	0.000	0.000
205	C	207	ALA	0	-0.027	0.001	49.835	0.001	0.001	0.000	0.000	0.000	0.000
206	C	208	GLY	0	0.031	-0.001	49.586	-0.001	-0.001	0.000	0.000	0.000	0.000
207	C	209	VAL	0	-0.011	0.006	50.617	0.001	0.001	0.000	0.000	0.000	0.000
208	C	210	PHE	0	0.006	-0.025	43.221	-0.002	-0.002	0.000	0.000	0.000	0.000
209	C	211	LEU	0	-0.033	-0.016	48.166	0.002	0.002	0.000	0.000	0.000	0.000
210	C	212	ASP	-1	-0.729	-0.875	46.100	-0.081	-0.081	0.000	0.000	0.000	0.000
211	C	213	ILE	0	0.019	-0.022	44.592	0.003	0.003	0.000	0.000	0.000	0.000
212	C	214	HIS	0	-0.069	0.032	47.535	0.000	0.000	0.000	0.000	0.000	0.000
213	C	215	TYR	0	-0.036	-0.036	45.463	0.004	0.004	0.000	0.000	0.000	0.000
214	C	216	MET	0	-0.023	0.038	44.277	0.001	0.001	0.000	0.000	0.000	0.000
215	C	217	ASP	-1	-0.882	-0.955	49.796	-0.063	-0.063	0.000	0.000	0.000	0.000
216	C	218	SER	0	-0.095	-0.051	49.578	-0.002	-0.002	0.000	0.000	0.000	0.000
217	C	219	TYR	0	-0.010	-0.019	45.603	-0.002	-0.002	0.000	0.000	0.000	0.000
218	C	220	LYS	1	0.927	0.980	44.942	0.069	0.069	0.000	0.000	0.000	0.000
219	C	221	LEU	0	0.064	0.054	39.356	0.004	0.004	0.000	0.000	0.000	0.000
220	C	222	PHE	0	0.017	0.025	39.863	0.001	0.001	0.000	0.000	0.000	0.000
221	C	223	THR	0	-0.031	-0.024	45.675	0.003	0.003	0.000	0.000	0.000	0.000
222	C	224	TRP	0	0.035	-0.008	49.136	0.000	0.000	0.000	0.000	0.000	0.000
223	C	225	HIS	0	-0.012	-0.001	52.278	0.002	0.002	0.000	0.000	0.000	0.000
224	C	226	PRO	0	0.043	0.013	54.316	0.002	0.002	0.000	0.000	0.000	0.000
225	C	227	TYR	0	-0.022	-0.017	57.417	0.002	0.002	0.000	0.000	0.000	0.000
226	C	228	ARG	1	0.854	0.931	53.617	0.059	0.059	0.000	0.000	0.000	0.000
227	C	229	PHE	0	-0.009	-0.008	54.648	0.001	0.001	0.000	0.000	0.000	0.000
228	C	230	PRO	0	0.032	0.027	56.726	-0.001	-0.001	0.000	0.000	0.000	0.000
229	C	231	GLU	-1	-0.941	-0.975	59.224	-0.043	-0.043	0.000	0.000	0.000	0.000
230	C	232	PRO	0	0.053	0.032	54.088	0.001	0.001	0.000	0.000	0.000	0.000
231	C	233	LYS	1	0.929	0.961	55.828	0.047	0.047	0.000	0.000	0.000	0.000
232	C	234	LYS	1	0.930	0.981	57.101	0.041	0.041	0.000	0.000	0.000	0.000
233	C	235	LEU	0	0.018	0.018	54.689	0.001	0.001	0.000	0.000	0.000	0.000
234	C	236	ILE	0	0.009	0.000	51.841	0.001	0.001	0.000	0.000	0.000	0.000
235	C	237	ASP	-1	-0.849	-0.917	55.407	-0.046	-0.046	0.000	0.000	0.000	0.000
236	C	238	GLU	-1	-0.963	-0.997	58.298	-0.041	-0.041	0.000	0.000	0.000	0.000
237	C	239	LEU	0	0.014	0.016	53.906	0.001	0.001	0.000	0.000	0.000	0.000
238	C	240	HIS	0	0.002	0.008	51.567	0.003	0.003	0.000	0.000	0.000	0.000
239	C	241	LYS	1	0.892	0.960	56.348	0.037	0.037	0.000	0.000	0.000	0.000
240	C	242	ARG	1	0.730	0.825	58.862	0.042	0.042	0.000	0.000	0.000	0.000
241	C	243	ASN	0	-0.070	-0.043	55.044	-0.001	-0.001	0.000	0.000	0.000	0.000
242	C	244	VAL	0	-0.022	0.010	53.420	0.000	0.000	0.000	0.000	0.000	0.000
243	C	245	LYS	1	0.924	0.955	48.739	0.055	0.055	0.000	0.000	0.000	0.000
244	C	246	LEU	0	0.018	-0.002	49.433	0.000	0.000	0.000	0.000	0.000	0.000
245	C	247	ILE	0	-0.033	-0.007	43.800	-0.002	-0.002	0.000	0.000	0.000	0.000
246	C	248	THR	0	0.010	0.014	44.615	0.002	0.002	0.000	0.000	0.000	0.000
247	C	249	ILE	0	0.023	0.011	42.118	-0.003	-0.003	0.000	0.000	0.000	0.000
248	C	250	VAL	0	-0.065	-0.026	39.265	0.003	0.003	0.000	0.000	0.000	0.000
249	C	251	ASP	-1	-0.821	-0.917	38.850	-0.104	-0.104	0.000	0.000	0.000	0.000
250	C	252	HIS	0	0.071	0.009	33.138	0.003	0.003	0.000	0.000	0.000	0.000
251	C	253	GLY	0	-0.044	-0.019	35.897	-0.006	-0.006	0.000	0.000	0.000	0.000
252	C	254	ILE	0	-0.006	0.004	37.203	0.007	0.007	0.000	0.000	0.000	0.000
253	C	255	ARG	1	0.887	0.935	39.455	0.078	0.078	0.000	0.000	0.000	0.000
254	C	256	VAL	0	-0.034	-0.003	39.770	0.000	0.000	0.000	0.000	0.000	0.000
255	C	257	ASP	-1	-0.864	-0.937	42.307	-0.074	-0.074	0.000	0.000	0.000	0.000
256	C	258	GLN	0	0.031	-0.011	45.332	0.000	0.000	0.000	0.000	0.000	0.000
257	C	259	ASN	0	-0.043	-0.015	47.068	0.001	0.001	0.000	0.000	0.000	0.000
258	C	260	TYR	0	-0.056	-0.039	42.302	0.001	0.001	0.000	0.000	0.000	0.000
259	C	261	SER	0	0.062	0.013	44.621	-0.005	-0.005	0.000	0.000	0.000	0.000
260	C	262	PRO	0	0.034	0.017	41.156	-0.003	-0.003	0.000	0.000	0.000	0.000
261	C	263	PHE	0	0.033	0.014	38.972	-0.006	-0.006	0.000	0.000	0.000	0.000
262	C	264	LEU	0	-0.023	-0.013	40.015	-0.004	-0.004	0.000	0.000	0.000	0.000
263	C	265	SER	0	-0.024	-0.002	40.667	-0.004	-0.004	0.000	0.000	0.000	0.000
264	C	266	GLY	0	0.033	0.005	36.858	-0.004	-0.004	0.000	0.000	0.000	0.000
265	C	267	MET	0	0.020	0.014	35.448	-0.012	-0.012	0.000	0.000	0.000	0.000
266	C	268	GLY	0	-0.029	-0.009	33.402	0.002	0.002	0.000	0.000	0.000	0.000
267	C	269	LYS	1	0.848	0.941	31.012	0.124	0.124	0.000	0.000	0.000	0.000
268	C	270	PHE	0	0.001	0.012	31.166	-0.004	-0.004	0.000	0.000	0.000	0.000
269	C	271	CYS	0	-0.051	-0.010	28.531	-0.012	-0.012	0.000	0.000	0.000	0.000
270	C	272	GLU	-1	-0.838	-0.918	27.615	-0.189	-0.189	0.000	0.000	0.000	0.000
271	C	273	ILE	0	-0.017	-0.006	27.636	-0.013	-0.013	0.000	0.000	0.000	0.000
272	C	274	GLU	-1	-0.958	-1.009	21.781	-0.309	-0.309	0.000	0.000	0.000	0.000
273	C	275	SER	0	-0.112	-0.106	25.840	-0.006	-0.006	0.000	0.000	0.000	0.000
274	C	276	GLY	0	0.002	0.009	28.492	0.008	0.008	0.000	0.000	0.000	0.000
275	C	277	GLU	-1	-0.851	-0.866	29.571	-0.150	-0.150	0.000	0.000	0.000	0.000
276	C	278	LEU	0	0.019	-0.004	31.135	-0.009	-0.009	0.000	0.000	0.000	0.000
277	C	279	PHE	0	-0.004	-0.005	30.486	0.003	0.003	0.000	0.000	0.000	0.000
278	C	280	VAL	0	-0.053	-0.033	32.530	0.005	0.005	0.000	0.000	0.000	0.000
279	C	281	GLY	0	0.033	0.016	36.163	-0.001	-0.001	0.000	0.000	0.000	0.000
280	C	282	LYS	1	0.828	0.905	36.951	0.108	0.108	0.000	0.000	0.000	0.000
281	C	283	MET	0	0.040	0.053	37.909	-0.003	-0.003	0.000	0.000	0.000	0.000
282	C	284	TRP	0	0.057	0.020	40.565	0.005	0.005	0.000	0.000	0.000	0.000
283	C	285	PRO	0	-0.032	-0.006	41.898	0.004	0.004	0.000	0.000	0.000	0.000
284	C	286	GLY	0	0.006	0.004	43.718	0.004	0.004	0.000	0.000	0.000	0.000
285	C	287	THR	0	-0.034	-0.035	41.108	-0.004	-0.004	0.000	0.000	0.000	0.000
286	C	288	THR	0	0.009	0.003	37.526	0.004	0.004	0.000	0.000	0.000	0.000
287	C	289	VAL	0	0.028	0.032	35.296	-0.004	-0.004	0.000	0.000	0.000	0.000
288	C	290	TYR	0	0.024	-0.017	32.051	0.005	0.005	0.000	0.000	0.000	0.000
289	C	291	PRO	0	0.003	0.030	32.110	-0.008	-0.008	0.000	0.000	0.000	0.000
290	C	292	ASP	-1	-0.687	-0.880	25.787	-0.259	-0.259	0.000	0.000	0.000	0.000
291	C	293	PHE	0	0.031	-0.006	27.971	-0.004	-0.004	0.000	0.000	0.000	0.000
292	C	294	PHE	0	-0.007	-0.001	22.105	-0.005	-0.005	0.000	0.000	0.000	0.000
293	C	295	ARG	1	0.805	0.904	23.841	0.185	0.185	0.000	0.000	0.000	0.000
294	C	296	GLU	-1	-0.980	-0.995	25.461	-0.187	-0.187	0.000	0.000	0.000	0.000
295	C	297	ASP	-1	-0.763	-0.887	27.419	-0.172	-0.172	0.000	0.000	0.000	0.000
296	C	298	THR	0	-0.013	-0.012	29.524	0.013	0.013	0.000	0.000	0.000	0.000
297	C	299	ARG	1	0.894	0.953	24.723	0.228	0.228	0.000	0.000	0.000	0.000
298	C	300	GLU	-1	-0.940	-0.972	31.349	-0.131	-0.131	0.000	0.000	0.000	0.000
299	C	301	TRP	0	-0.011	-0.004	33.757	0.005	0.005	0.000	0.000	0.000	0.000
300	C	302	TRP	0	0.013	-0.012	34.078	0.006	0.006	0.000	0.000	0.000	0.000
301	C	303	ALA	0	-0.019	-0.011	34.649	0.007	0.007	0.000	0.000	0.000	0.000
302	C	304	GLY	0	0.006	-0.001	36.526	0.007	0.007	0.000	0.000	0.000	0.000
303	C	305	LEU	0	0.012	0.010	38.613	0.006	0.006	0.000	0.000	0.000	0.000
304	C	306	ILE	0	-0.004	0.006	37.732	0.005	0.005	0.000	0.000	0.000	0.000
305	C	307	SER	0	-0.032	-0.031	40.518	0.006	0.006	0.000	0.000	0.000	0.000
306	C	308	GLU	-1	-0.947	-0.977	42.159	-0.074	-0.074	0.000	0.000	0.000	0.000
307	C	309	TRP	0	0.005	0.007	43.787	0.004	0.004	0.000	0.000	0.000	0.000
308	C	310	LEU	0	-0.008	-0.012	41.342	0.004	0.004	0.000	0.000	0.000	0.000
309	C	311	SER	0	-0.109	-0.060	45.616	0.005	0.005	0.000	0.000	0.000	0.000
310	C	312	GLN	0	-0.011	0.006	48.121	0.006	0.006	0.000	0.000	0.000	0.000
311	C	313	GLY	0	-0.014	-0.009	49.445	0.003	0.003	0.000	0.000	0.000	0.000
312	C	314	VAL	0	-0.028	0.002	45.661	0.001	0.001	0.000	0.000	0.000	0.000
313	C	315	ASP	-1	-0.849	-0.929	46.696	-0.062	-0.062	0.000	0.000	0.000	0.000
314	C	316	GLY	0	-0.021	-0.012	42.982	-0.002	-0.002	0.000	0.000	0.000	0.000
315	C	317	ILE	0	-0.025	-0.010	39.172	0.001	0.001	0.000	0.000	0.000	0.000
316	C	318	TRP	0	0.014	-0.004	39.780	0.000	0.000	0.000	0.000	0.000	0.000
317	C	319	LEU	0	-0.026	-0.011	34.294	0.002	0.002	0.000	0.000	0.000	0.000
318	C	320	ASP	-1	-0.764	-0.898	37.127	-0.105	-0.105	0.000	0.000	0.000	0.000
319	C	321	MET	0	-0.084	-0.038	36.467	-0.004	-0.004	0.000	0.000	0.000	0.000
320	C	322	ASN	0	0.022	0.009	32.420	-0.005	-0.005	0.000	0.000	0.000	0.000
321	C	323	GLU	-1	-0.763	-0.824	30.526	-0.149	-0.149	0.000	0.000	0.000	0.000
322	C	324	PRO	0	-0.051	-0.043	28.116	-0.016	-0.016	0.000	0.000	0.000	0.000
323	C	325	THR	0	0.027	-0.018	31.216	-0.008	-0.008	0.000	0.000	0.000	0.000
324	C	326	ASP	-1	-0.763	-0.846	33.801	-0.134	-0.134	0.000	0.000	0.000	0.000
325	C	327	PHE	0	0.005	-0.006	35.501	0.000	0.000	0.000	0.000	0.000	0.000
326	C	328	SER	0	-0.099	-0.077	35.836	0.005	0.005	0.000	0.000	0.000	0.000
327	C	329	ARG	1	1.003	1.002	31.106	0.161	0.161	0.000	0.000	0.000	0.000
328	C	330	ALA	0	0.010	0.007	37.332	0.005	0.005	0.000	0.000	0.000	0.000
329	C	331	ILE	0	-0.054	-0.044	39.939	0.006	0.006	0.000	0.000	0.000	0.000
330	C	332	GLU	-1	-0.905	-0.937	38.329	-0.108	-0.108	0.000	0.000	0.000	0.000
331	C	333	ILE	0	-0.021	-0.012	38.071	0.004	0.004	0.000	0.000	0.000	0.000
332	C	334	ARG	1	0.920	0.950	42.333	0.083	0.083	0.000	0.000	0.000	0.000
333	C	335	ASP	-1	-0.905	-0.948	45.214	-0.077	-0.077	0.000	0.000	0.000	0.000
334	C	336	VAL	0	-0.051	-0.024	43.663	0.004	0.004	0.000	0.000	0.000	0.000
335	C	337	LEU	0	-0.041	-0.027	43.524	0.004	0.004	0.000	0.000	0.000	0.000
336	C	338	SER	0	-0.041	0.004	47.595	0.003	0.003	0.000	0.000	0.000	0.000
337	C	339	SER	0	-0.005	-0.015	49.997	0.002	0.002	0.000	0.000	0.000	0.000
338	C	340	LEU	0	-0.012	-0.001	48.389	0.003	0.003	0.000	0.000	0.000	0.000
339	C	341	PRO	0	-0.005	0.025	50.996	-0.001	-0.001	0.000	0.000	0.000	0.000
340	C	342	VAL	0	-0.046	-0.031	47.281	0.002	0.002	0.000	0.000	0.000	0.000
341	C	343	GLN	0	0.023	0.012	46.184	0.002	0.002	0.000	0.000	0.000	0.000
342	C	344	PHE	0	-0.020	-0.017	42.740	-0.001	-0.001	0.000	0.000	0.000	0.000
343	C	345	ARG	1	0.946	0.975	36.135	0.093	0.093	0.000	0.000	0.000	0.000
344	C	346	ASP	-1	-0.840	-0.918	39.232	-0.095	-0.095	0.000	0.000	0.000	0.000
345	C	347	ASP	-1	-0.900	-0.941	33.473	-0.126	-0.126	0.000	0.000	0.000	0.000
346	C	348	ARG	1	0.868	0.905	34.287	0.097	0.097	0.000	0.000	0.000	0.000
347	C	349	LEU	0	0.005	0.011	28.426	-0.009	-0.009	0.000	0.000	0.000	0.000
348	C	350	VAL	0	-0.044	-0.015	31.619	-0.011	-0.011	0.000	0.000	0.000	0.000
349	C	351	THR	0	-0.052	-0.037	34.164	-0.001	-0.001	0.000	0.000	0.000	0.000
350	C	352	THR	0	-0.022	0.001	28.998	-0.006	-0.006	0.000	0.000	0.000	0.000
351	C	353	PHE	0	0.023	-0.011	28.203	0.008	0.008	0.000	0.000	0.000	0.000
352	C	354	PRO	0	-0.028	-0.007	28.732	-0.007	-0.007	0.000	0.000	0.000	0.000
353	C	355	ASP	-1	-0.855	-0.946	25.182	-0.237	-0.237	0.000	0.000	0.000	0.000
354	C	356	ASN	0	-0.062	-0.016	24.701	-0.021	-0.021	0.000	0.000	0.000	0.000
355	C	357	VAL	0	0.026	0.040	26.332	0.000	0.000	0.000	0.000	0.000	0.000
356	C	358	VAL	0	-0.057	-0.030	22.549	-0.029	-0.029	0.000	0.000	0.000	0.000
357	C	359	HIS	0	0.003	0.017	22.251	0.021	0.021	0.000	0.000	0.000	0.000
358	C	360	TYR	0	-0.051	-0.027	21.418	-0.037	-0.037	0.000	0.000	0.000	0.000
359	C	361	LEU	0	-0.009	0.004	17.059	0.021	0.021	0.000	0.000	0.000	0.000
360	C	362	ARG	1	0.892	0.938	14.307	0.475	0.475	0.000	0.000	0.000	0.000
361	C	363	GLY	0	0.011	0.006	18.398	-0.017	-0.017	0.000	0.000	0.000	0.000
362	C	364	LYS	1	0.926	0.980	11.576	0.814	0.814	0.000	0.000	0.000	0.000
363	C	365	ARG	1	0.885	0.958	17.968	0.291	0.291	0.000	0.000	0.000	0.000
364	C	366	VAL	0	-0.045	-0.029	16.183	-0.051	-0.051	0.000	0.000	0.000	0.000
365	C	367	LYS	1	1.023	1.002	18.434	0.417	0.417	0.000	0.000	0.000	0.000
366	C	368	HIS	0	0.068	0.032	20.210	-0.015	-0.015	0.000	0.000	0.000	0.000
367	C	369	GLU	-1	-0.926	-0.966	19.964	-0.345	-0.345	0.000	0.000	0.000	0.000
368	C	370	LYS	1	0.888	0.936	14.972	0.576	0.576	0.000	0.000	0.000	0.000
369	C	371	VAL	0	0.001	-0.003	17.930	-0.028	-0.028	0.000	0.000	0.000	0.000
370	C	372	ARG	1	0.798	0.886	20.167	0.231	0.231	0.000	0.000	0.000	0.000
371	C	373	ASN	0	0.046	0.016	21.867	0.036	0.036	0.000	0.000	0.000	0.000
372	C	374	ALA	0	0.002	0.003	21.684	0.016	0.016	0.000	0.000	0.000	0.000
373	C	375	TYR	0	-0.024	-0.004	23.703	0.013	0.013	0.000	0.000	0.000	0.000
374	C	376	PRO	0	0.028	0.027	26.560	0.007	0.007	0.000	0.000	0.000	0.000
375	C	377	LEU	0	-0.037	0.000	23.072	0.011	0.011	0.000	0.000	0.000	0.000
376	C	378	TYR	0	-0.050	-0.076	20.578	0.015	0.015	0.000	0.000	0.000	0.000
377	C	379	GLU	-1	-0.804	-0.906	27.381	-0.136	-0.136	0.000	0.000	0.000	0.000
378	C	380	ALA	0	0.025	0.021	30.306	0.012	0.012	0.000	0.000	0.000	0.000
379	C	381	MET	0	-0.054	-0.014	24.583	0.009	0.009	0.000	0.000	0.000	0.000
380	C	382	ALA	0	-0.020	-0.014	30.125	0.008	0.008	0.000	0.000	0.000	0.000
381	C	383	THR	0	0.032	0.002	32.233	0.010	0.010	0.000	0.000	0.000	0.000
382	C	384	PHE	0	-0.012	0.002	32.763	0.008	0.008	0.000	0.000	0.000	0.000
383	C	385	LYS	1	0.870	0.939	31.439	0.143	0.143	0.000	0.000	0.000	0.000
384	C	386	GLY	0	0.073	0.038	34.613	0.005	0.005	0.000	0.000	0.000	0.000
385	C	387	PHE	0	0.042	0.013	37.838	0.006	0.006	0.000	0.000	0.000	0.000
386	C	388	ARG	1	0.900	0.949	34.645	0.099	0.099	0.000	0.000	0.000	0.000
387	C	389	THR	0	-0.025	-0.002	37.474	0.003	0.003	0.000	0.000	0.000	0.000
388	C	390	SER	0	-0.005	0.018	39.712	0.002	0.002	0.000	0.000	0.000	0.000
389	C	391	HIS	0	-0.068	-0.026	41.668	0.004	0.004	0.000	0.000	0.000	0.000
390	C	392	ARG	1	0.882	0.953	42.105	0.074	0.074	0.000	0.000	0.000	0.000
391	C	393	ASN	0	-0.025	-0.034	41.387	-0.005	-0.005	0.000	0.000	0.000	0.000
392	C	394	GLU	-1	-0.925	-0.943	41.562	-0.059	-0.059	0.000	0.000	0.000	0.000
393	C	395	ILE	0	-0.003	0.000	37.254	-0.001	-0.001	0.000	0.000	0.000	0.000
394	C	396	PHE	0	-0.003	-0.004	40.077	0.001	0.001	0.000	0.000	0.000	0.000
395	C	397	ILE	0	0.015	0.013	35.247	0.000	0.000	0.000	0.000	0.000	0.000
396	C	398	LEU	0	-0.053	0.001	37.258	-0.001	-0.001	0.000	0.000	0.000	0.000
397	C	399	SER	0	-0.001	-0.003	32.520	-0.003	-0.003	0.000	0.000	0.000	0.000
398	C	400	ARG	1	0.857	0.911	35.352	0.119	0.119	0.000	0.000	0.000	0.000
399	C	401	ALA	0	0.021	0.024	30.109	-0.002	-0.002	0.000	0.000	0.000	0.000
400	C	402	GLY	0	0.008	-0.012	28.637	0.005	0.005	0.000	0.000	0.000	0.000
401	C	403	TYR	0	-0.007	-0.016	18.070	-0.011	-0.011	0.000	0.000	0.000	0.000
402	C	404	ALA	0	0.017	0.008	21.197	0.017	0.017	0.000	0.000	0.000	0.000
403	C	405	GLY	0	0.035	0.014	23.122	-0.017	-0.017	0.000	0.000	0.000	0.000
404	C	406	ILE	0	-0.013	-0.005	24.861	0.009	0.009	0.000	0.000	0.000	0.000
405	C	407	GLN	0	0.045	0.016	25.243	0.007	0.007	0.000	0.000	0.000	0.000
406	C	408	ARG	1	0.800	0.887	22.374	0.208	0.208	0.000	0.000	0.000	0.000
407	C	409	TYR	0	-0.036	-0.036	27.195	0.000	0.000	0.000	0.000	0.000	0.000
408	C	410	ALA	0	-0.004	0.005	32.208	0.005	0.005	0.000	0.000	0.000	0.000
409	C	411	PHE	0	-0.002	0.005	33.678	-0.001	-0.001	0.000	0.000	0.000	0.000
410	C	412	ILE	0	0.011	-0.002	31.095	-0.005	-0.005	0.000	0.000	0.000	0.000
411	C	413	TRP	0	-0.034	-0.015	35.643	0.004	0.004	0.000	0.000	0.000	0.000
412	C	414	THR	0	-0.023	-0.056	36.987	-0.004	-0.004	0.000	0.000	0.000	0.000
413	C	415	GLY	0	0.015	0.023	38.239	0.000	0.000	0.000	0.000	0.000	0.000
414	C	416	ASP	-1	-0.920	-0.954	39.501	-0.084	-0.084	0.000	0.000	0.000	0.000
415	C	417	ASN	0	-0.003	0.005	42.211	0.000	0.000	0.000	0.000	0.000	0.000
416	C	418	THR	0	0.037	-0.006	43.393	0.002	0.002	0.000	0.000	0.000	0.000
417	C	419	PRO	0	-0.037	0.009	46.408	0.001	0.001	0.000	0.000	0.000	0.000
418	C	420	SER	0	0.050	0.000	47.391	0.002	0.002	0.000	0.000	0.000	0.000
419	C	421	TRP	0	0.034	0.006	49.015	-0.001	-0.001	0.000	0.000	0.000	0.000
420	C	422	ASP	-1	-0.928	-0.958	45.557	-0.044	-0.044	0.000	0.000	0.000	0.000
421	C	423	ASP	-1	-0.786	-0.853	43.755	-0.066	-0.066	0.000	0.000	0.000	0.000
422	C	424	LEU	0	-0.016	0.009	44.302	-0.002	-0.002	0.000	0.000	0.000	0.000
423	C	425	LYS	1	0.969	0.973	43.331	0.038	0.038	0.000	0.000	0.000	0.000
424	C	426	LEU	0	0.006	0.013	38.284	-0.002	-0.002	0.000	0.000	0.000	0.000
425	C	427	GLN	0	0.015	0.014	39.651	-0.007	-0.007	0.000	0.000	0.000	0.000
426	C	428	LEU	0	0.004	0.022	39.833	-0.003	-0.003	0.000	0.000	0.000	0.000
427	C	429	GLN	0	-0.040	-0.033	36.786	-0.005	-0.005	0.000	0.000	0.000	0.000
428	C	430	LEU	0	-0.018	0.004	35.123	-0.005	-0.005	0.000	0.000	0.000	0.000
429	C	431	VAL	0	-0.004	0.000	34.956	-0.006	-0.006	0.000	0.000	0.000	0.000
430	C	432	LEU	0	0.005	-0.004	35.646	-0.002	-0.002	0.000	0.000	0.000	0.000
431	C	433	GLY	0	0.001	0.012	32.386	-0.001	-0.001	0.000	0.000	0.000	0.000
432	C	434	LEU	0	0.006	-0.007	30.453	-0.009	-0.009	0.000	0.000	0.000	0.000
433	C	435	SER	0	-0.046	-0.023	30.850	-0.006	-0.006	0.000	0.000	0.000	0.000
434	C	436	ILE	0	-0.072	-0.032	29.721	0.000	0.000	0.000	0.000	0.000	0.000
435	C	437	SER	0	-0.040	-0.032	26.873	-0.006	-0.006	0.000	0.000	0.000	0.000
436	C	438	GLY	0	0.026	0.010	26.847	-0.014	-0.014	0.000	0.000	0.000	0.000
437	C	439	VAL	0	-0.015	-0.002	28.384	-0.002	-0.002	0.000	0.000	0.000	0.000
438	C	440	PRO	0	0.000	0.004	31.004	0.006	0.006	0.000	0.000	0.000	0.000
439	C	441	PHE	0	-0.037	-0.029	34.257	0.007	0.007	0.000	0.000	0.000	0.000
440	C	442	VAL	0	0.054	0.031	34.625	-0.005	-0.005	0.000	0.000	0.000	0.000
441	C	443	GLY	0	0.022	0.002	37.621	0.006	0.006	0.000	0.000	0.000	0.000
442	C	444	CYS	0	0.005	0.017	39.872	-0.004	-0.004	0.000	0.000	0.000	0.000
443	C	445	ASP	-1	-0.790	-0.891	42.320	-0.073	-0.073	0.000	0.000	0.000	0.000
444	C	446	ILE	0	-0.031	-0.037	45.315	0.002	0.002	0.000	0.000	0.000	0.000
445	C	447	GLY	0	0.016	-0.010	48.343	0.001	0.001	0.000	0.000	0.000	0.000
446	C	448	GLY	0	-0.066	-0.030	47.058	0.001	0.001	0.000	0.000	0.000	0.000
447	C	449	PHE	0	0.050	0.030	45.170	0.002	0.002	0.000	0.000	0.000	0.000
448	C	450	GLN	0	-0.014	-0.015	44.168	0.004	0.004	0.000	0.000	0.000	0.000
449	C	451	GLY	0	0.025	0.004	48.402	0.003	0.003	0.000	0.000	0.000	0.000
450	C	452	ARG	1	0.804	0.898	52.019	0.047	0.047	0.000	0.000	0.000	0.000
451	C	453	ASN	0	0.045	0.031	47.975	0.002	0.002	0.000	0.000	0.000	0.000
452	C	454	PHE	0	-0.067	-0.034	46.915	-0.001	-0.001	0.000	0.000	0.000	0.000
453	C	455	ALA	0	0.020	0.003	51.910	0.001	0.001	0.000	0.000	0.000	0.000
454	C	456	GLU	-1	-0.970	-0.972	49.454	-0.048	-0.048	0.000	0.000	0.000	0.000
455	C	457	ILE	0	-0.022	-0.003	50.000	-0.002	-0.002	0.000	0.000	0.000	0.000
456	C	458	ASP	-1	-0.892	-0.940	51.961	-0.037	-0.037	0.000	0.000	0.000	0.000
457	C	459	ASN	0	-0.017	-0.026	53.593	-0.002	-0.002	0.000	0.000	0.000	0.000
458	C	460	SER	0	-0.041	-0.015	55.846	0.001	0.001	0.000	0.000	0.000	0.000
459	C	461	MET	0	0.042	-0.002	56.871	-0.001	-0.001	0.000	0.000	0.000	0.000
460	C	462	ASP	-1	-0.846	-0.931	57.958	-0.034	-0.034	0.000	0.000	0.000	0.000
461	C	463	LEU	0	0.003	0.017	51.308	0.000	0.000	0.000	0.000	0.000	0.000
462	C	464	LEU	0	0.005	0.010	53.091	-0.002	-0.002	0.000	0.000	0.000	0.000
463	C	465	VAL	0	-0.002	-0.006	53.532	-0.001	-0.001	0.000	0.000	0.000	0.000
464	C	466	LYS	1	0.935	0.966	52.217	0.033	0.033	0.000	0.000	0.000	0.000
465	C	467	TYR	0	0.008	-0.026	46.524	0.000	0.000	0.000	0.000	0.000	0.000
466	C	468	TYR	0	0.038	0.026	49.255	-0.002	-0.002	0.000	0.000	0.000	0.000
467	C	469	ALA	0	0.017	0.024	50.681	0.000	0.000	0.000	0.000	0.000	0.000
468	C	470	LEU	0	-0.013	0.022	44.866	0.001	0.001	0.000	0.000	0.000	0.000
469	C	471	ALA	0	0.037	0.006	45.575	-0.001	-0.001	0.000	0.000	0.000	0.000
470	C	472	LEU	0	-0.023	0.010	46.570	-0.001	-0.001	0.000	0.000	0.000	0.000
471	C	473	PHE	0	0.028	-0.011	45.038	0.000	0.000	0.000	0.000	0.000	0.000
472	C	474	PHE	0	-0.012	0.012	42.242	-0.002	-0.002	0.000	0.000	0.000	0.000
473	C	475	PRO	0	-0.009	-0.003	38.735	0.002	0.002	0.000	0.000	0.000	0.000
474	C	476	PHE	0	-0.002	-0.005	40.562	0.001	0.001	0.000	0.000	0.000	0.000
475	C	477	TYR	0	-0.023	-0.022	42.514	0.001	0.001	0.000	0.000	0.000	0.000
476	C	478	ARG	1	0.884	0.940	43.114	0.077	0.077	0.000	0.000	0.000	0.000
477	C	479	SER	0	0.023	0.036	47.054	0.000	0.000	0.000	0.000	0.000	0.000
478	C	480	HIS	0	-0.006	0.022	45.320	0.002	0.002	0.000	0.000	0.000	0.000
479	C	481	LYS	1	0.863	0.961	48.686	0.054	0.054	0.000	0.000	0.000	0.000
480	C	482	ALA	0	0.042	0.018	48.613	-0.001	-0.001	0.000	0.000	0.000	0.000
481	C	483	THR	0	-0.031	-0.040	49.963	0.002	0.002	0.000	0.000	0.000	0.000
482	C	484	ASP	-1	-0.889	-0.946	52.555	-0.053	-0.053	0.000	0.000	0.000	0.000
483	C	485	GLY	0	0.062	0.019	53.728	0.002	0.002	0.000	0.000	0.000	0.000
484	C	486	ILE	0	-0.080	-0.007	54.574	0.001	0.001	0.000	0.000	0.000	0.000
485	C	487	ASP	-1	-0.889	-0.942	56.121	-0.045	-0.045	0.000	0.000	0.000	0.000
486	C	488	THR	0	-0.030	-0.025	53.295	0.001	0.001	0.000	0.000	0.000	0.000
487	C	489	GLU	-1	-0.813	-0.852	55.572	-0.048	-0.048	0.000	0.000	0.000	0.000
488	C	490	PRO	0	0.041	0.003	56.140	0.002	0.002	0.000	0.000	0.000	0.000
489	C	491	VAL	0	0.010	0.004	59.122	0.001	0.001	0.000	0.000	0.000	0.000
490	C	492	PHE	0	-0.053	-0.011	59.672	0.002	0.002	0.000	0.000	0.000	0.000
491	C	493	LEU	0	-0.052	-0.014	58.506	0.001	0.001	0.000	0.000	0.000	0.000
492	C	494	PRO	0	-0.015	-0.015	62.919	0.001	0.001	0.000	0.000	0.000	0.000
493	C	495	ASP	-1	-0.857	-0.942	64.999	-0.028	-0.028	0.000	0.000	0.000	0.000
494	C	496	TYR	0	-0.038	-0.016	63.628	0.000	0.000	0.000	0.000	0.000	0.000
495	C	497	TYR	0	0.013	-0.014	60.720	0.000	0.000	0.000	0.000	0.000	0.000
496	C	498	LYS	1	0.877	0.955	60.866	0.030	0.030	0.000	0.000	0.000	0.000
497	C	499	GLU	-1	-0.856	-0.949	61.328	-0.030	-0.030	0.000	0.000	0.000	0.000
498	C	500	LYS	1	0.868	0.938	59.385	0.028	0.028	0.000	0.000	0.000	0.000
499	C	501	VAL	0	-0.023	-0.004	55.674	-0.001	-0.001	0.000	0.000	0.000	0.000
500	C	502	LYS	1	0.886	0.949	57.011	0.029	0.029	0.000	0.000	0.000	0.000
501	C	503	GLU	-1	-0.903	-0.952	58.526	-0.028	-0.028	0.000	0.000	0.000	0.000
502	C	504	ILE	0	-0.047	-0.018	53.180	0.000	0.000	0.000	0.000	0.000	0.000
503	C	505	VAL	0	-0.017	-0.013	53.642	-0.001	-0.001	0.000	0.000	0.000	0.000
504	C	506	GLU	-1	-0.897	-0.952	54.354	-0.032	-0.032	0.000	0.000	0.000	0.000
505	C	507	LEU	0	-0.015	-0.006	53.662	0.000	0.000	0.000	0.000	0.000	0.000
506	C	508	ARG	1	0.802	0.889	44.889	0.053	0.053	0.000	0.000	0.000	0.000
507	C	509	TYR	0	-0.059	-0.049	51.059	-0.002	-0.002	0.000	0.000	0.000	0.000
508	C	510	LYS	1	0.961	0.999	53.046	0.027	0.027	0.000	0.000	0.000	0.000
509	C	511	PHE	0	0.025	-0.008	49.475	0.001	0.001	0.000	0.000	0.000	0.000
510	C	512	LEU	0	0.019	0.029	47.194	-0.001	-0.001	0.000	0.000	0.000	0.000
511	C	513	PRO	0	-0.008	-0.001	47.536	-0.002	-0.002	0.000	0.000	0.000	0.000
512	C	514	TYR	0	-0.009	-0.003	44.345	-0.001	-0.001	0.000	0.000	0.000	0.000
513	C	515	ILE	0	0.044	0.016	43.397	-0.002	-0.002	0.000	0.000	0.000	0.000
514	C	516	TYR	0	-0.034	-0.045	42.670	-0.001	-0.001	0.000	0.000	0.000	0.000
515	C	517	SER	0	-0.018	-0.021	42.629	-0.001	-0.001	0.000	0.000	0.000	0.000
516	C	518	LEU	0	-0.017	0.012	40.286	-0.001	-0.001	0.000	0.000	0.000	0.000
517	C	519	ALA	0	0.014	0.015	38.709	-0.004	-0.004	0.000	0.000	0.000	0.000
518	C	520	LEU	0	-0.013	0.008	37.820	-0.004	-0.004	0.000	0.000	0.000	0.000
519	C	521	GLU	-1	-0.843	-0.911	36.585	-0.050	-0.050	0.000	0.000	0.000	0.000
520	C	522	ALA	0	-0.005	0.003	34.498	-0.003	-0.003	0.000	0.000	0.000	0.000
521	C	523	SER	0	-0.053	-0.031	33.121	-0.005	-0.005	0.000	0.000	0.000	0.000
522	C	524	GLU	-1	-0.891	-0.946	33.281	-0.054	-0.054	0.000	0.000	0.000	0.000
523	C	525	LYS	1	0.876	0.917	31.789	0.046	0.046	0.000	0.000	0.000	0.000
524	C	526	GLY	0	0.044	0.025	29.888	-0.002	-0.002	0.000	0.000	0.000	0.000
525	C	527	HIS	1	0.685	0.822	30.692	0.052	0.052	0.000	0.000	0.000	0.000
526	C	528	PRO	0	0.038	0.032	32.002	0.000	0.000	0.000	0.000	0.000	0.000
527	C	529	VAL	0	0.044	0.024	34.558	0.006	0.006	0.000	0.000	0.000	0.000
528	C	530	ILE	0	0.001	0.013	37.880	0.005	0.005	0.000	0.000	0.000	0.000
529	C	531	ARG	1	0.818	0.897	36.422	0.045	0.045	0.000	0.000	0.000	0.000
530	C	532	PRO	0	0.074	0.063	34.506	0.004	0.004	0.000	0.000	0.000	0.000
531	C	533	LEU	0	0.086	0.026	37.614	0.001	0.001	0.000	0.000	0.000	0.000
532	C	534	PHE	0	0.020	-0.002	32.508	0.002	0.002	0.000	0.000	0.000	0.000
533	C	535	TYR	0	-0.073	-0.056	31.951	-0.002	-0.002	0.000	0.000	0.000	0.000
534	C	536	GLU	-1	-0.801	-0.909	35.204	-0.033	-0.033	0.000	0.000	0.000	0.000
535	C	537	PHE	0	-0.044	-0.030	38.018	0.004	0.004	0.000	0.000	0.000	0.000
536	C	538	GLN	0	0.011	0.008	30.834	-0.004	-0.004	0.000	0.000	0.000	0.000
537	C	539	ASP	-1	-0.917	-0.965	34.927	-0.007	-0.007	0.000	0.000	0.000	0.000
538	C	540	ASP	-1	-0.776	-0.857	36.710	-0.009	-0.009	0.000	0.000	0.000	0.000
539	C	541	ASP	-1	-0.834	-0.924	36.259	-0.010	-0.010	0.000	0.000	0.000	0.000
540	C	542	ASP	-1	-0.929	-0.965	38.294	-0.015	-0.015	0.000	0.000	0.000	0.000
541	C	543	MET	0	-0.042	-0.027	38.583	-0.004	-0.004	0.000	0.000	0.000	0.000
542	C	544	TYR	0	-0.062	-0.039	32.535	-0.006	-0.006	0.000	0.000	0.000	0.000
543	C	545	ARG	1	0.892	0.948	37.201	0.025	0.025	0.000	0.000	0.000	0.000
544	C	546	ILE	0	-0.017	0.009	39.857	0.000	0.000	0.000	0.000	0.000	0.000
545	C	547	GLU	-1	-0.794	-0.889	37.524	-0.056	-0.056	0.000	0.000	0.000	0.000
546	C	548	ASP	-1	-0.908	-0.943	41.376	-0.037	-0.037	0.000	0.000	0.000	0.000
547	C	549	GLU	-1	-0.819	-0.926	43.345	-0.027	-0.027	0.000	0.000	0.000	0.000
548	C	550	TYR	0	-0.057	-0.029	40.919	-0.003	-0.003	0.000	0.000	0.000	0.000
549	C	551	MET	0	-0.010	0.005	40.366	0.004	0.004	0.000	0.000	0.000	0.000
550	C	552	VAL	0	0.022	0.019	41.097	-0.005	-0.005	0.000	0.000	0.000	0.000
551	C	553	GLY	0	0.059	0.017	40.227	0.003	0.003	0.000	0.000	0.000	0.000
552	C	554	LYS	1	0.853	0.913	38.481	0.030	0.030	0.000	0.000	0.000	0.000
553	C	555	TYR	0	-0.012	-0.018	41.639	0.002	0.002	0.000	0.000	0.000	0.000
554	C	556	LEU	0	-0.015	0.018	45.352	0.002	0.002	0.000	0.000	0.000	0.000
555	C	557	LEU	0	0.037	0.038	44.979	-0.002	-0.002	0.000	0.000	0.000	0.000
556	C	558	TYR	0	-0.062	-0.079	45.880	0.003	0.003	0.000	0.000	0.000	0.000
557	C	559	ALA	0	0.042	0.023	46.412	-0.002	-0.002	0.000	0.000	0.000	0.000
558	C	560	PRO	0	-0.002	0.008	46.579	0.002	0.002	0.000	0.000	0.000	0.000
559	C	561	ILE	0	0.028	0.018	49.705	0.000	0.000	0.000	0.000	0.000	0.000
560	C	562	VAL	0	-0.031	-0.012	47.227	-0.001	-0.001	0.000	0.000	0.000	0.000
561	C	563	SER	0	-0.070	-0.066	50.590	-0.001	-0.001	0.000	0.000	0.000	0.000
562	C	564	LYS	1	0.981	0.973	53.454	0.031	0.031	0.000	0.000	0.000	0.000
563	C	565	GLU	-1	-0.930	-0.922	54.191	-0.025	-0.025	0.000	0.000	0.000	0.000
564	C	566	GLU	-1	-0.921	-0.967	57.745	-0.022	-0.022	0.000	0.000	0.000	0.000
565	C	567	SER	0	-0.094	-0.048	57.621	0.000	0.000	0.000	0.000	0.000	0.000
566	C	568	ARG	1	0.868	0.916	47.767	0.031	0.031	0.000	0.000	0.000	0.000
567	C	569	LEU	0	-0.014	-0.015	52.226	0.001	0.001	0.000	0.000	0.000	0.000
568	C	570	VAL	0	-0.025	-0.017	49.570	-0.002	-0.002	0.000	0.000	0.000	0.000
569	C	571	THR	0	-0.011	-0.012	45.953	0.003	0.003	0.000	0.000	0.000	0.000
570	C	572	LEU	0	0.011	0.013	47.358	-0.002	-0.002	0.000	0.000	0.000	0.000
571	C	573	PRO	0	0.051	0.027	43.351	0.002	0.002	0.000	0.000	0.000	0.000
572	C	574	ARG	1	0.999	1.011	42.825	0.003	0.003	0.000	0.000	0.000	0.000
573	C	575	GLY	0	-0.005	0.001	46.156	-0.001	-0.001	0.000	0.000	0.000	0.000
574	C	576	LYS	1	0.865	0.945	48.462	0.007	0.007	0.000	0.000	0.000	0.000
575	C	577	TRP	0	0.008	-0.009	45.010	-0.003	-0.003	0.000	0.000	0.000	0.000
576	C	578	TYR	0	-0.023	-0.007	51.876	0.001	0.001	0.000	0.000	0.000	0.000
577	C	579	ASN	0	0.011	0.001	53.845	-0.003	-0.003	0.000	0.000	0.000	0.000
578	C	580	TYR	0	-0.003	-0.012	54.104	0.001	0.001	0.000	0.000	0.000	0.000
579	C	581	TRP	0	-0.002	-0.006	55.520	0.001	0.001	0.000	0.000	0.000	0.000
580	C	582	ASN	0	0.004	-0.002	59.182	0.001	0.001	0.000	0.000	0.000	0.000
581	C	583	GLY	0	0.012	-0.017	59.368	0.001	0.001	0.000	0.000	0.000	0.000
582	C	584	GLU	-1	-0.920	-0.965	58.749	-0.013	-0.013	0.000	0.000	0.000	0.000
583	C	585	ILE	0	-0.037	-0.008	55.300	-0.001	-0.001	0.000	0.000	0.000	0.000
584	C	586	ILE	0	-0.011	0.003	54.038	0.001	0.001	0.000	0.000	0.000	0.000
585	C	587	ASN	0	-0.037	-0.032	53.148	0.000	0.000	0.000	0.000	0.000	0.000
586	C	588	GLY	0	0.018	-0.011	49.137	0.000	0.000	0.000	0.000	0.000	0.000
587	C	589	LYS	1	0.704	0.831	43.949	0.013	0.013	0.000	0.000	0.000	0.000
588	C	590	SER	0	-0.033	-0.016	48.569	0.001	0.001	0.000	0.000	0.000	0.000
589	C	591	VAL	0	0.024	0.016	50.107	-0.002	-0.002	0.000	0.000	0.000	0.000
590	C	592	VAL	0	0.002	0.011	52.372	0.001	0.001	0.000	0.000	0.000	0.000
591	C	593	LYS	1	0.941	0.980	54.372	0.016	0.016	0.000	0.000	0.000	0.000
592	C	594	SER	0	0.017	0.027	54.652	0.000	0.000	0.000	0.000	0.000	0.000
593	C	595	THR	0	-0.030	-0.031	56.503	0.000	0.000	0.000	0.000	0.000	0.000
594	C	596	HIS	0	0.059	0.042	57.380	0.000	0.000	0.000	0.000	0.000	0.000
595	C	597	GLU	-1	-0.833	-0.911	57.149	-0.029	-0.029	0.000	0.000	0.000	0.000
596	C	598	LEU	0	-0.014	-0.011	53.489	-0.002	-0.002	0.000	0.000	0.000	0.000
597	C	599	PRO	0	-0.027	-0.016	51.827	0.001	0.001	0.000	0.000	0.000	0.000
598	C	600	ILE	0	0.025	0.024	50.609	-0.001	-0.001	0.000	0.000	0.000	0.000
599	C	601	TYR	0	0.001	-0.006	50.027	0.002	0.002	0.000	0.000	0.000	0.000
600	C	602	LEU	0	-0.022	0.002	49.438	-0.002	-0.002	0.000	0.000	0.000	0.000
601	C	603	ARG	1	0.912	0.980	41.692	0.025	0.025	0.000	0.000	0.000	0.000
602	C	604	GLU	-1	-0.954	-0.973	48.913	-0.010	-0.010	0.000	0.000	0.000	0.000
603	C	605	GLY	0	-0.002	0.001	48.101	0.000	0.000	0.000	0.000	0.000	0.000
604	C	606	SER	0	-0.085	-0.094	47.098	-0.003	-0.003	0.000	0.000	0.000	0.000
605	C	607	ILE	0	-0.006	-0.006	48.229	0.001	0.001	0.000	0.000	0.000	0.000
606	C	608	ILE	0	-0.020	-0.017	48.367	-0.002	-0.002	0.000	0.000	0.000	0.000
607	C	609	PRO	0	-0.009	-0.007	48.517	0.001	0.001	0.000	0.000	0.000	0.000
608	C	610	LEU	0	-0.009	-0.006	51.046	-0.001	-0.001	0.000	0.000	0.000	0.000
609	C	611	GLU	-1	-0.920	-0.972	53.673	-0.035	-0.035	0.000	0.000	0.000	0.000
610	C	612	GLY	0	0.011	0.012	55.299	0.001	0.001	0.000	0.000	0.000	0.000
611	C	613	ASP	-1	-0.943	-0.931	56.019	-0.027	-0.027	0.000	0.000	0.000	0.000
612	C	614	GLU	-1	-0.932	-0.960	57.039	-0.023	-0.023	0.000	0.000	0.000	0.000
613	C	615	LEU	0	-0.019	-0.008	52.418	-0.001	-0.001	0.000	0.000	0.000	0.000
614	C	616	ILE	0	0.025	0.015	53.594	0.002	0.002	0.000	0.000	0.000	0.000
615	C	617	VAL	0	0.005	-0.001	53.068	-0.001	-0.001	0.000	0.000	0.000	0.000
616	C	618	TYR	0	0.014	0.014	52.087	0.001	0.001	0.000	0.000	0.000	0.000
617	C	619	GLY	0	0.059	0.057	51.565	-0.001	-0.001	0.000	0.000	0.000	0.000
618	C	620	GLU	-1	-0.941	-0.964	49.851	-0.008	-0.008	0.000	0.000	0.000	0.000
619	C	621	THR	0	-0.012	-0.007	45.341	-0.001	-0.001	0.000	0.000	0.000	0.000
620	C	622	SER	0	-0.014	0.000	44.163	0.000	0.000	0.000	0.000	0.000	0.000
621	C	623	PHE	0	0.022	0.008	43.750	-0.002	-0.002	0.000	0.000	0.000	0.000
622	C	624	LYS	1	0.887	0.948	39.765	0.045	0.045	0.000	0.000	0.000	0.000
623	C	625	ARG	1	0.912	0.935	44.282	0.030	0.030	0.000	0.000	0.000	0.000
624	C	626	TYR	0	0.035	-0.008	43.956	0.000	0.000	0.000	0.000	0.000	0.000
625	C	627	ASP	-1	-0.803	-0.866	44.840	-0.036	-0.036	0.000	0.000	0.000	0.000
626	C	628	ASN	0	-0.031	-0.036	44.192	0.003	0.003	0.000	0.000	0.000	0.000
627	C	629	ALA	0	-0.049	-0.007	45.679	0.002	0.002	0.000	0.000	0.000	0.000
628	C	630	GLU	-1	-0.955	-0.984	44.271	-0.026	-0.026	0.000	0.000	0.000	0.000
629	C	631	ILE	0	-0.006	-0.001	47.503	0.002	0.002	0.000	0.000	0.000	0.000
630	C	632	THR	0	-0.018	-0.005	47.589	0.000	0.000	0.000	0.000	0.000	0.000
631	C	633	SER	0	-0.012	-0.010	49.791	0.001	0.001	0.000	0.000	0.000	0.000
632	C	634	SER	0	-0.040	-0.026	50.892	0.001	0.001	0.000	0.000	0.000	0.000
633	C	635	SER	0	0.043	0.015	53.129	0.000	0.000	0.000	0.000	0.000	0.000
634	C	636	ASN	0	-0.050	-0.018	56.160	-0.001	-0.001	0.000	0.000	0.000	0.000
635	C	637	GLU	-1	-0.855	-0.949	56.106	-0.009	-0.009	0.000	0.000	0.000	0.000
636	C	638	ILE	0	0.012	0.007	53.843	0.000	0.000	0.000	0.000	0.000	0.000
637	C	639	LYS	1	0.913	0.956	52.403	0.010	0.010	0.000	0.000	0.000	0.000
638	C	640	PHE	0	0.025	-0.001	52.074	-0.001	-0.001	0.000	0.000	0.000	0.000
639	C	641	SER	0	-0.014	0.005	48.222	0.001	0.001	0.000	0.000	0.000	0.000
640	C	642	ARG	1	0.868	0.926	49.198	0.031	0.031	0.000	0.000	0.000	0.000
641	C	643	GLU	-1	-0.895	-0.952	53.102	-0.021	-0.021	0.000	0.000	0.000	0.000
642	C	644	ILE	0	-0.064	-0.025	53.046	-0.002	-0.002	0.000	0.000	0.000	0.000
643	C	645	TYR	0	-0.028	-0.002	56.409	0.002	0.002	0.000	0.000	0.000	0.000
644	C	646	VAL	0	0.024	0.015	57.388	-0.001	-0.001	0.000	0.000	0.000	0.000
645	C	647	SER	0	-0.003	-0.041	59.577	0.001	0.001	0.000	0.000	0.000	0.000
646	C	648	LYS	1	0.927	0.969	61.221	0.022	0.022	0.000	0.000	0.000	0.000
647	C	649	LEU	0	0.025	0.022	57.422	-0.001	-0.001	0.000	0.000	0.000	0.000
648	C	650	THR	0	-0.042	-0.027	58.271	0.001	0.001	0.000	0.000	0.000	0.000
649	C	651	ILE	0	0.001	-0.012	57.814	-0.001	-0.001	0.000	0.000	0.000	0.000
650	C	652	THR	0	-0.010	0.012	55.482	0.001	0.001	0.000	0.000	0.000	0.000
651	C	653	SER	0	0.037	-0.012	57.333	0.001	0.001	0.000	0.000	0.000	0.000
652	C	654	GLU	-1	-0.844	-0.913	57.167	-0.008	-0.008	0.000	0.000	0.000	0.000
653	C	655	LYS	1	0.908	0.964	60.246	0.005	0.005	0.000	0.000	0.000	0.000
654	C	656	PRO	0	-0.003	-0.007	63.014	-0.001	-0.001	0.000	0.000	0.000	0.000
655	C	657	VAL	0	0.010	0.010	62.420	0.000	0.000	0.000	0.000	0.000	0.000
656	C	658	SER	0	-0.034	-0.020	65.711	0.000	0.000	0.000	0.000	0.000	0.000
657	C	659	LYS	1	0.870	0.939	67.478	0.007	0.007	0.000	0.000	0.000	0.000
658	C	660	ILE	0	0.019	0.013	63.079	0.000	0.000	0.000	0.000	0.000	0.000
659	C	661	ILE	0	0.025	0.019	64.176	0.000	0.000	0.000	0.000	0.000	0.000
660	C	662	VAL	0	-0.023	-0.022	62.890	0.000	0.000	0.000	0.000	0.000	0.000
661	C	663	ASP	-1	-0.788	-0.913	60.946	-0.014	-0.014	0.000	0.000	0.000	0.000
662	C	664	ASP	-1	-0.899	-0.952	63.227	-0.009	-0.009	0.000	0.000	0.000	0.000
663	C	665	SER	0	-0.076	-0.045	65.811	0.000	0.000	0.000	0.000	0.000	0.000
664	C	666	LYS	1	0.904	0.965	67.885	0.014	0.014	0.000	0.000	0.000	0.000
665	C	667	GLU	-1	-0.826	-0.916	67.733	-0.009	-0.009	0.000	0.000	0.000	0.000
666	C	668	ILE	0	-0.076	-0.030	65.436	0.000	0.000	0.000	0.000	0.000	0.000
667	C	669	GLN	0	-0.024	-0.009	68.376	0.001	0.001	0.000	0.000	0.000	0.000
668	C	670	VAL	0	-0.036	-0.007	65.297	-0.001	-0.001	0.000	0.000	0.000	0.000
669	C	671	GLU	-1	-0.928	-0.969	67.352	-0.013	-0.013	0.000	0.000	0.000	0.000
670	C	672	LYS	1	0.894	0.954	66.315	0.010	0.010	0.000	0.000	0.000	0.000
671	C	673	THR	0	-0.001	0.004	64.204	0.000	0.000	0.000	0.000	0.000	0.000
672	C	674	MET	0	0.014	0.010	60.836	0.000	0.000	0.000	0.000	0.000	0.000
673	C	675	GLN	0	-0.016	0.006	62.820	0.001	0.001	0.000	0.000	0.000	0.000
674	C	676	ASN	0	-0.017	-0.006	60.214	-0.001	-0.001	0.000	0.000	0.000	0.000
675	C	677	THR	0	0.023	0.016	60.661	-0.001	-0.001	0.000	0.000	0.000	0.000
676	C	678	TYR	0	-0.004	-0.014	61.908	0.001	0.001	0.000	0.000	0.000	0.000
677	C	679	VAL	0	0.023	0.011	62.330	-0.001	-0.001	0.000	0.000	0.000	0.000
678	C	680	ALA	0	0.032	0.009	63.425	0.001	0.001	0.000	0.000	0.000	0.000
679	C	681	LYS	1	0.926	0.950	63.898	0.015	0.015	0.000	0.000	0.000	0.000
680	C	682	ILE	0	0.014	0.005	61.099	0.001	0.001	0.000	0.000	0.000	0.000
681	C	683	ASN	0	-0.039	-0.017	64.001	0.000	0.000	0.000	0.000	0.000	0.000
682	C	684	GLN	0	-0.019	-0.018	63.186	0.001	0.001	0.000	0.000	0.000	0.000
683	C	685	LYS	1	0.905	0.965	60.732	0.021	0.021	0.000	0.000	0.000	0.000
684	C	686	ILE	0	0.010	0.010	58.497	0.001	0.001	0.000	0.000	0.000	0.000
685	C	687	ARG	1	0.914	0.953	58.102	0.013	0.013	0.000	0.000	0.000	0.000
686	C	688	GLY	0	0.031	0.013	56.248	-0.001	-0.001	0.000	0.000	0.000	0.000
687	C	689	LYS	1	0.828	0.938	56.012	0.009	0.009	0.000	0.000	0.000	0.000
688	C	690	ILE	0	0.024	0.031	58.112	0.000	0.000	0.000	0.000	0.000	0.000
689	C	691	ASN	0	-0.025	-0.001	59.180	0.000	0.000	0.000	0.000	0.000	0.000
690	C	692	LEU	0	0.009	0.006	59.039	0.000	0.000	0.000	0.000	0.000	0.000
691	C	693	GLU	-1	-0.863	-0.937	62.711	-0.007	-0.007	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(C:3:ILE)