FMO DATABASE

FMODB ID: K98Z3

Calculation Name: 2X0S-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2X0S

Chain ID: A

ChEMBL ID:

UniProt ID: O76283

Base Structure: X-ray

Registration Date: 2023-06-22

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

DOI:

Apendix: None

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	903
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-23098754.09532
FMO2-HF: Nuclear repulsion	22744307.573698
FMO2-HF: Total energy	-354446.521622
FMO2-MP2: Total energy	-355460.128301

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:1:VAL)

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

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-0.891	2.316	-0.024	-1.659	-1.523	0.004

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

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.034 / q_NPA : 0.016

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	3	LYS	1	0.813	0.921	3.822	-1.435	1.588	-0.024	-1.621	-1.378	0.004
4	A	4	LYS	1	0.842	0.902	4.165	0.251	0.435	0.000	-0.038	-0.145	0.000
5	A	5	TRP	0	-0.050	-0.048	6.766	-0.154	-0.154	0.000	0.000	0.000	0.000
6	A	6	VAL	0	-0.030	-0.019	9.266	-0.025	-0.025	0.000	0.000	0.000	0.000
7	A	7	TYR	0	-0.032	-0.036	10.617	-0.010	-0.010	0.000	0.000	0.000	0.000
8	A	8	TYR	0	-0.065	-0.061	12.811	0.003	0.003	0.000	0.000	0.000	0.000
9	A	9	PHE	0	-0.008	-0.021	14.731	-0.027	-0.027	0.000	0.000	0.000	0.000
10	A	10	GLY	0	0.065	0.015	18.189	0.013	0.013	0.000	0.000	0.000	0.000
11	A	11	GLY	0	0.068	0.057	18.981	-0.005	-0.005	0.000	0.000	0.000	0.000
12	A	12	GLY	0	-0.083	-0.049	20.015	-0.005	-0.005	0.000	0.000	0.000	0.000
13	A	13	ASN	0	-0.066	-0.040	15.606	-0.015	-0.015	0.000	0.000	0.000	0.000
14	A	14	ALA	0	-0.040	-0.024	16.704	-0.007	-0.007	0.000	0.000	0.000	0.000
15	A	15	ASP	-1	-0.732	-0.836	11.522	0.042	0.042	0.000	0.000	0.000	0.000
16	A	16	GLY	0	0.032	0.018	14.052	-0.027	-0.027	0.000	0.000	0.000	0.000
17	A	17	ASN	0	0.064	0.012	16.217	0.009	0.009	0.000	0.000	0.000	0.000
18	A	18	LYS	1	0.901	0.951	19.785	0.050	0.050	0.000	0.000	0.000	0.000
19	A	19	ASN	0	-0.025	-0.022	21.239	0.014	0.014	0.000	0.000	0.000	0.000
20	A	20	MET	0	0.012	0.036	15.398	-0.001	-0.001	0.000	0.000	0.000	0.000
21	A	21	LYS	1	0.936	0.960	19.816	0.070	0.070	0.000	0.000	0.000	0.000
22	A	22	GLU	-1	-0.883	-0.939	19.816	-0.087	-0.087	0.000	0.000	0.000	0.000
23	A	23	LEU	0	0.013	0.020	13.980	0.006	0.006	0.000	0.000	0.000	0.000
24	A	24	LEU	0	0.010	-0.001	15.249	0.023	0.023	0.000	0.000	0.000	0.000
25	A	25	GLY	0	0.064	0.039	18.772	0.015	0.015	0.000	0.000	0.000	0.000
26	A	26	GLY	0	-0.010	-0.019	22.305	-0.002	-0.002	0.000	0.000	0.000	0.000
27	A	27	LYS	1	0.888	0.936	24.739	-0.015	-0.015	0.000	0.000	0.000	0.000
28	A	28	GLY	0	0.086	0.049	20.664	0.004	0.004	0.000	0.000	0.000	0.000
29	A	29	ALA	0	-0.010	0.004	21.039	-0.001	-0.001	0.000	0.000	0.000	0.000
30	A	30	ASN	0	0.008	0.001	22.021	-0.004	-0.004	0.000	0.000	0.000	0.000
31	A	31	LEU	0	-0.003	-0.002	22.384	-0.001	-0.001	0.000	0.000	0.000	0.000
32	A	32	ALA	0	0.035	0.024	19.525	0.001	0.001	0.000	0.000	0.000	0.000
33	A	33	GLU	-1	-0.832	-0.924	21.212	-0.041	-0.041	0.000	0.000	0.000	0.000
34	A	34	MET	0	-0.043	-0.021	24.074	-0.001	-0.001	0.000	0.000	0.000	0.000
35	A	35	VAL	0	-0.013	0.021	20.960	0.002	0.002	0.000	0.000	0.000	0.000
36	A	36	ASN	0	0.003	0.012	19.358	0.009	0.009	0.000	0.000	0.000	0.000
37	A	37	LEU	0	-0.013	0.001	23.095	-0.003	-0.003	0.000	0.000	0.000	0.000
38	A	38	GLY	0	-0.008	-0.007	25.850	0.000	0.000	0.000	0.000	0.000	0.000
39	A	39	ILE	0	-0.072	-0.029	27.155	0.004	0.004	0.000	0.000	0.000	0.000
40	A	40	PRO	0	0.024	0.008	26.926	0.001	0.001	0.000	0.000	0.000	0.000
41	A	41	VAL	0	0.015	-0.003	25.051	0.002	0.002	0.000	0.000	0.000	0.000
42	A	42	PRO	0	-0.008	0.004	24.937	0.004	0.004	0.000	0.000	0.000	0.000
43	A	43	PRO	0	0.057	0.026	20.510	-0.002	-0.002	0.000	0.000	0.000	0.000
44	A	44	GLY	0	0.037	0.010	19.382	0.002	0.002	0.000	0.000	0.000	0.000
45	A	45	PHE	0	-0.036	-0.015	14.713	0.005	0.005	0.000	0.000	0.000	0.000
46	A	46	THR	0	-0.022	-0.024	15.867	-0.005	-0.005	0.000	0.000	0.000	0.000
47	A	47	ILE	0	-0.027	0.002	13.727	0.010	0.010	0.000	0.000	0.000	0.000
48	A	48	THR	0	0.030	0.008	12.590	-0.002	-0.002	0.000	0.000	0.000	0.000
49	A	49	THR	0	0.016	-0.010	15.085	0.010	0.010	0.000	0.000	0.000	0.000
50	A	50	GLU	-1	-0.817	-0.881	12.432	-0.220	-0.220	0.000	0.000	0.000	0.000
51	A	51	ALA	0	-0.001	0.009	13.332	0.007	0.007	0.000	0.000	0.000	0.000
52	A	52	CYS	0	-0.047	0.035	14.678	0.011	0.011	0.000	0.000	0.000	0.000
53	A	53	LYS	1	0.804	0.886	17.898	0.076	0.076	0.000	0.000	0.000	0.000
54	A	54	THR	0	-0.048	-0.048	13.781	-0.006	-0.006	0.000	0.000	0.000	0.000
55	A	55	TYR	0	-0.086	-0.045	17.007	0.014	0.014	0.000	0.000	0.000	0.000
56	A	56	GLN	0	-0.007	-0.025	19.287	-0.009	-0.009	0.000	0.000	0.000	0.000
57	A	57	GLU	-1	-0.864	-0.910	18.678	-0.057	-0.057	0.000	0.000	0.000	0.000
58	A	58	THR	0	0.022	0.001	17.708	-0.002	-0.002	0.000	0.000	0.000	0.000
59	A	59	GLU	-1	-0.858	-0.870	19.846	0.076	0.076	0.000	0.000	0.000	0.000
60	A	60	THR	0	-0.058	-0.038	16.254	0.015	0.015	0.000	0.000	0.000	0.000
61	A	61	ILE	0	-0.027	-0.036	13.185	-0.020	-0.020	0.000	0.000	0.000	0.000
62	A	62	PRO	0	0.038	0.021	10.230	0.040	0.040	0.000	0.000	0.000	0.000
63	A	63	GLN	0	0.023	0.008	8.728	-0.083	-0.083	0.000	0.000	0.000	0.000
64	A	64	GLU	-1	-0.818	-0.902	5.156	0.386	0.386	0.000	0.000	0.000	0.000
65	A	65	VAL	0	-0.053	-0.033	6.777	-0.006	-0.006	0.000	0.000	0.000	0.000
66	A	66	ALA	0	0.015	-0.004	9.694	-0.037	-0.037	0.000	0.000	0.000	0.000
67	A	67	ASP	-1	-0.837	-0.897	6.672	1.070	1.070	0.000	0.000	0.000	0.000
68	A	68	GLN	0	0.064	0.019	5.256	-0.291	-0.291	0.000	0.000	0.000	0.000
69	A	69	VAL	0	0.001	0.002	8.069	-0.100	-0.100	0.000	0.000	0.000	0.000
70	A	70	ARG	1	0.944	0.964	11.049	-0.494	-0.494	0.000	0.000	0.000	0.000
71	A	71	GLU	-1	-0.925	-0.955	6.643	0.604	0.604	0.000	0.000	0.000	0.000
72	A	72	ASN	0	-0.039	-0.037	9.869	-0.108	-0.108	0.000	0.000	0.000	0.000
73	A	73	VAL	0	0.040	0.045	12.676	-0.041	-0.041	0.000	0.000	0.000	0.000
74	A	74	SER	0	0.008	0.017	12.681	-0.038	-0.038	0.000	0.000	0.000	0.000
75	A	75	ARG	1	0.799	0.892	11.341	-0.151	-0.151	0.000	0.000	0.000	0.000
76	A	76	VAL	0	0.021	0.015	15.628	-0.023	-0.023	0.000	0.000	0.000	0.000
77	A	77	GLU	-1	-0.816	-0.890	18.306	0.198	0.198	0.000	0.000	0.000	0.000
78	A	78	LYS	1	0.886	0.941	14.417	-0.256	-0.256	0.000	0.000	0.000	0.000
79	A	79	GLU	-1	-0.855	-0.890	19.813	0.058	0.058	0.000	0.000	0.000	0.000
80	A	80	MET	0	-0.062	-0.034	21.511	-0.015	-0.015	0.000	0.000	0.000	0.000
81	A	81	GLY	0	-0.021	-0.014	23.222	-0.010	-0.010	0.000	0.000	0.000	0.000
82	A	82	ALA	0	-0.071	-0.022	24.838	0.005	0.005	0.000	0.000	0.000	0.000
83	A	83	LYS	1	0.869	0.909	19.980	-0.188	-0.188	0.000	0.000	0.000	0.000
84	A	84	PHE	0	-0.038	-0.027	20.115	-0.008	-0.008	0.000	0.000	0.000	0.000
85	A	85	GLY	0	-0.013	-0.019	21.995	0.016	0.016	0.000	0.000	0.000	0.000
86	A	86	ASP	-1	-0.835	-0.920	24.541	0.122	0.122	0.000	0.000	0.000	0.000
87	A	87	PRO	0	-0.017	-0.012	26.573	-0.007	-0.007	0.000	0.000	0.000	0.000
88	A	88	ALA	0	-0.034	0.000	29.691	-0.009	-0.009	0.000	0.000	0.000	0.000
89	A	89	ASN	0	-0.046	-0.022	27.874	-0.011	-0.011	0.000	0.000	0.000	0.000
90	A	90	PRO	0	0.066	0.047	26.805	0.007	0.007	0.000	0.000	0.000	0.000
91	A	91	LEU	0	-0.002	-0.003	21.345	-0.006	-0.006	0.000	0.000	0.000	0.000
92	A	92	LEU	0	-0.017	-0.004	24.700	0.007	0.007	0.000	0.000	0.000	0.000
93	A	93	PHE	0	0.010	-0.016	19.153	-0.003	-0.003	0.000	0.000	0.000	0.000
94	A	94	SER	0	-0.049	-0.020	24.441	-0.008	-0.008	0.000	0.000	0.000	0.000
95	A	95	VAL	0	-0.012	-0.019	22.268	0.004	0.004	0.000	0.000	0.000	0.000
96	A	96	ARG	1	0.962	0.989	24.028	-0.053	-0.053	0.000	0.000	0.000	0.000
97	A	97	SER	0	0.060	0.035	23.541	0.001	0.001	0.000	0.000	0.000	0.000
98	A	98	GLY	0	-0.009	-0.005	22.395	-0.004	-0.004	0.000	0.000	0.000	0.000
99	A	99	ALA	0	0.029	-0.020	23.461	-0.008	-0.008	0.000	0.000	0.000	0.000
100	A	100	ALA	0	-0.024	-0.014	26.058	0.003	0.003	0.000	0.000	0.000	0.000
101	A	101	ALA	0	-0.037	0.007	29.076	0.002	0.002	0.000	0.000	0.000	0.000
102	A	102	SER	0	0.007	-0.016	30.906	0.001	0.001	0.000	0.000	0.000	0.000
103	A	103	MET	0	0.026	0.013	26.781	-0.001	-0.001	0.000	0.000	0.000	0.000
104	A	104	PRO	0	0.009	0.036	31.812	0.001	0.001	0.000	0.000	0.000	0.000
105	A	105	GLY	0	0.031	0.001	32.599	0.002	0.002	0.000	0.000	0.000	0.000
106	A	106	MET	0	-0.020	0.023	32.774	-0.004	-0.004	0.000	0.000	0.000	0.000
107	A	107	MET	0	-0.024	-0.016	27.966	-0.002	-0.002	0.000	0.000	0.000	0.000
108	A	108	ASP	-1	-0.862	-0.922	29.043	0.040	0.040	0.000	0.000	0.000	0.000
109	A	109	THR	0	-0.038	-0.026	28.498	0.002	0.002	0.000	0.000	0.000	0.000
110	A	110	VAL	0	0.012	0.021	27.176	-0.001	-0.001	0.000	0.000	0.000	0.000
111	A	111	LEU	0	0.016	-0.003	27.799	0.004	0.004	0.000	0.000	0.000	0.000
112	A	112	ASN	0	0.000	-0.022	29.156	0.002	0.002	0.000	0.000	0.000	0.000
113	A	113	LEU	0	0.053	0.037	22.823	0.003	0.003	0.000	0.000	0.000	0.000
114	A	114	GLY	0	0.023	0.002	25.472	0.004	0.004	0.000	0.000	0.000	0.000
115	A	115	LEU	0	-0.043	-0.001	26.095	0.000	0.000	0.000	0.000	0.000	0.000
116	A	116	ASN	0	-0.004	0.005	27.884	-0.003	-0.003	0.000	0.000	0.000	0.000
117	A	117	LYS	1	0.959	0.972	31.117	-0.071	-0.071	0.000	0.000	0.000	0.000
118	A	118	VAL	0	0.051	0.028	31.449	-0.003	-0.003	0.000	0.000	0.000	0.000
119	A	119	THR	0	-0.013	-0.029	29.527	-0.002	-0.002	0.000	0.000	0.000	0.000
120	A	120	VAL	0	-0.025	-0.003	32.020	-0.004	-0.004	0.000	0.000	0.000	0.000
121	A	121	ASP	-1	-0.962	-0.978	35.244	0.070	0.070	0.000	0.000	0.000	0.000
122	A	122	ALA	0	0.044	0.017	34.415	-0.001	-0.001	0.000	0.000	0.000	0.000
123	A	123	TRP	0	-0.066	-0.023	33.179	0.000	0.000	0.000	0.000	0.000	0.000
124	A	124	VAL	0	0.018	0.006	36.207	-0.003	-0.003	0.000	0.000	0.000	0.000
125	A	125	ARG	1	0.955	0.978	39.683	-0.060	-0.060	0.000	0.000	0.000	0.000
126	A	126	ARG	1	0.842	0.916	32.429	-0.078	-0.078	0.000	0.000	0.000	0.000
127	A	127	ALA	0	0.008	-0.005	39.127	-0.001	-0.001	0.000	0.000	0.000	0.000
128	A	128	PRO	0	0.032	0.025	41.052	0.000	0.000	0.000	0.000	0.000	0.000
129	A	129	ARG	1	0.878	0.939	43.557	-0.037	-0.037	0.000	0.000	0.000	0.000
130	A	130	LEU	0	-0.028	-0.009	38.872	-0.002	-0.002	0.000	0.000	0.000	0.000
131	A	131	GLU	-1	-0.847	-0.927	40.888	0.049	0.049	0.000	0.000	0.000	0.000
132	A	132	ARG	1	0.853	0.926	42.201	-0.034	-0.034	0.000	0.000	0.000	0.000
133	A	133	PHE	0	0.017	0.004	36.114	0.000	0.000	0.000	0.000	0.000	0.000
134	A	134	VAL	0	0.031	0.018	35.952	0.001	0.001	0.000	0.000	0.000	0.000
135	A	135	TYR	0	0.054	0.016	37.461	0.004	0.004	0.000	0.000	0.000	0.000
136	A	136	ASP	-1	-0.801	-0.875	39.486	0.041	0.041	0.000	0.000	0.000	0.000
137	A	137	SER	0	0.005	-0.009	34.885	0.000	0.000	0.000	0.000	0.000	0.000
138	A	138	TYR	0	0.012	0.012	32.528	0.002	0.002	0.000	0.000	0.000	0.000
139	A	139	ARG	1	0.868	0.923	35.756	-0.039	-0.039	0.000	0.000	0.000	0.000
140	A	140	ARG	1	0.851	0.919	36.512	-0.042	-0.042	0.000	0.000	0.000	0.000
141	A	141	PHE	0	-0.017	-0.023	28.209	0.000	0.000	0.000	0.000	0.000	0.000
142	A	142	ILE	0	-0.007	-0.010	32.880	0.002	0.002	0.000	0.000	0.000	0.000
143	A	143	THR	0	0.002	-0.009	34.570	0.000	0.000	0.000	0.000	0.000	0.000
144	A	144	MET	0	-0.054	-0.014	31.956	-0.001	-0.001	0.000	0.000	0.000	0.000
145	A	145	TYR	0	-0.010	-0.001	26.629	0.004	0.004	0.000	0.000	0.000	0.000
146	A	146	ALA	0	0.043	0.012	31.355	0.001	0.001	0.000	0.000	0.000	0.000
147	A	147	ASP	-1	-0.867	-0.947	33.560	0.042	0.042	0.000	0.000	0.000	0.000
148	A	148	ILE	0	-0.006	0.010	29.238	-0.001	-0.001	0.000	0.000	0.000	0.000
149	A	149	VAL	0	-0.072	-0.046	25.989	0.000	0.000	0.000	0.000	0.000	0.000
150	A	150	MET	0	-0.024	-0.019	28.435	0.009	0.009	0.000	0.000	0.000	0.000
151	A	151	GLN	0	-0.067	-0.004	31.004	-0.003	-0.003	0.000	0.000	0.000	0.000
152	A	152	VAL	0	0.024	0.005	33.765	-0.002	-0.002	0.000	0.000	0.000	0.000
153	A	153	GLY	0	0.023	0.032	36.645	-0.002	-0.002	0.000	0.000	0.000	0.000
154	A	154	ARG	1	0.812	0.862	38.313	-0.034	-0.034	0.000	0.000	0.000	0.000
155	A	155	GLU	-1	-0.902	-0.934	40.878	0.034	0.034	0.000	0.000	0.000	0.000
156	A	156	ASP	-1	-0.755	-0.853	42.208	0.038	0.038	0.000	0.000	0.000	0.000
157	A	157	PHE	0	0.004	-0.010	37.884	0.000	0.000	0.000	0.000	0.000	0.000
158	A	158	GLU	-1	-0.826	-0.901	42.960	0.032	0.032	0.000	0.000	0.000	0.000
159	A	159	GLU	-1	-0.801	-0.871	45.171	0.029	0.029	0.000	0.000	0.000	0.000
160	A	160	ALA	0	-0.019	-0.002	45.457	-0.001	-0.001	0.000	0.000	0.000	0.000
161	A	161	LEU	0	-0.017	0.002	44.586	0.000	0.000	0.000	0.000	0.000	0.000
162	A	162	SER	0	-0.026	-0.020	47.174	-0.001	-0.001	0.000	0.000	0.000	0.000
163	A	163	ARG	1	0.871	0.905	49.014	-0.032	-0.032	0.000	0.000	0.000	0.000
164	A	164	MET	0	-0.135	-0.054	48.823	-0.001	-0.001	0.000	0.000	0.000	0.000
165	A	165	LYS	1	0.824	0.910	48.350	-0.029	-0.029	0.000	0.000	0.000	0.000
166	A	166	GLU	-1	-0.909	-0.957	52.685	0.025	0.025	0.000	0.000	0.000	0.000
167	A	167	ARG	1	0.821	0.898	51.446	-0.034	-0.034	0.000	0.000	0.000	0.000
168	A	168	ARG	1	0.762	0.862	51.755	-0.033	-0.033	0.000	0.000	0.000	0.000
169	A	169	GLY	0	0.017	0.029	56.141	-0.001	-0.001	0.000	0.000	0.000	0.000
170	A	170	THR	0	-0.072	-0.054	53.936	-0.001	-0.001	0.000	0.000	0.000	0.000
171	A	171	LYS	1	0.973	0.987	54.033	-0.018	-0.018	0.000	0.000	0.000	0.000
172	A	172	PHE	0	-0.055	-0.041	51.211	0.000	0.000	0.000	0.000	0.000	0.000
173	A	173	ASP	-1	-0.706	-0.838	45.506	0.033	0.033	0.000	0.000	0.000	0.000
174	A	174	THR	0	-0.037	-0.032	48.300	0.002	0.002	0.000	0.000	0.000	0.000
175	A	175	ASP	-1	-0.799	-0.879	49.452	0.025	0.025	0.000	0.000	0.000	0.000
176	A	176	LEU	0	-0.014	0.017	47.636	0.001	0.001	0.000	0.000	0.000	0.000
177	A	177	THR	0	-0.022	-0.040	48.665	0.001	0.001	0.000	0.000	0.000	0.000
178	A	178	ALA	0	0.008	-0.002	45.387	0.001	0.001	0.000	0.000	0.000	0.000
179	A	179	SER	0	0.023	0.010	45.671	0.002	0.002	0.000	0.000	0.000	0.000
180	A	180	ASP	-1	-0.730	-0.839	47.817	0.035	0.035	0.000	0.000	0.000	0.000
181	A	181	LEU	0	0.016	0.002	43.060	0.001	0.001	0.000	0.000	0.000	0.000
182	A	182	LYS	1	0.901	0.974	42.115	-0.054	-0.054	0.000	0.000	0.000	0.000
183	A	183	GLU	-1	-0.759	-0.870	43.373	0.039	0.039	0.000	0.000	0.000	0.000
184	A	184	LEU	0	0.007	0.000	43.263	0.001	0.001	0.000	0.000	0.000	0.000
185	A	185	CYS	0	-0.111	-0.063	39.298	0.002	0.002	0.000	0.000	0.000	0.000
186	A	186	ASP	-1	-0.816	-0.908	40.189	0.063	0.063	0.000	0.000	0.000	0.000
187	A	187	GLY	0	0.083	0.058	42.025	0.001	0.001	0.000	0.000	0.000	0.000
188	A	188	TYR	0	-0.064	-0.067	39.171	0.000	0.000	0.000	0.000	0.000	0.000
189	A	189	LEU	0	-0.065	-0.036	35.649	0.003	0.003	0.000	0.000	0.000	0.000
190	A	190	GLU	-1	-0.896	-0.943	37.976	0.054	0.054	0.000	0.000	0.000	0.000
191	A	191	LEU	0	-0.032	-0.013	40.650	-0.001	-0.001	0.000	0.000	0.000	0.000
192	A	192	PHE	0	-0.011	-0.019	31.679	0.000	0.000	0.000	0.000	0.000	0.000
193	A	193	GLU	-1	-0.985	-0.990	36.632	0.075	0.075	0.000	0.000	0.000	0.000
194	A	194	LEU	0	-0.048	-0.016	37.639	-0.001	-0.001	0.000	0.000	0.000	0.000
195	A	195	LYS	1	0.804	0.885	38.581	-0.042	-0.042	0.000	0.000	0.000	0.000
196	A	196	THR	0	-0.090	-0.030	34.015	0.002	0.002	0.000	0.000	0.000	0.000
197	A	197	GLY	0	0.051	0.019	35.266	-0.001	-0.001	0.000	0.000	0.000	0.000
198	A	198	CYS	0	-0.051	-0.017	31.625	0.003	0.003	0.000	0.000	0.000	0.000
199	A	199	SER	0	0.096	0.062	33.295	-0.002	-0.002	0.000	0.000	0.000	0.000
200	A	200	PHE	0	-0.027	-0.013	30.509	0.006	0.006	0.000	0.000	0.000	0.000
201	A	201	PRO	0	0.014	0.007	26.805	0.003	0.003	0.000	0.000	0.000	0.000
202	A	202	GLN	0	0.058	0.027	28.822	-0.001	-0.001	0.000	0.000	0.000	0.000
203	A	203	ASP	-1	-0.803	-0.904	22.332	0.200	0.200	0.000	0.000	0.000	0.000
204	A	204	PRO	0	0.002	0.015	22.886	0.000	0.000	0.000	0.000	0.000	0.000
205	A	205	VAL	0	0.021	-0.006	17.627	0.003	0.003	0.000	0.000	0.000	0.000
206	A	206	MET	0	-0.003	0.007	20.117	0.005	0.005	0.000	0.000	0.000	0.000
207	A	207	GLN	0	-0.018	-0.040	21.862	-0.005	-0.005	0.000	0.000	0.000	0.000
208	A	208	LEU	0	0.009	0.016	17.533	-0.011	-0.011	0.000	0.000	0.000	0.000
209	A	209	PHE	0	0.023	-0.004	14.101	-0.009	-0.009	0.000	0.000	0.000	0.000
210	A	210	ALA	0	-0.044	-0.005	19.434	-0.011	-0.011	0.000	0.000	0.000	0.000
211	A	211	ALA	0	0.049	0.014	22.465	-0.012	-0.012	0.000	0.000	0.000	0.000
212	A	212	ILE	0	-0.020	-0.010	16.650	-0.012	-0.012	0.000	0.000	0.000	0.000
213	A	213	LYS	1	0.945	0.962	19.490	-0.171	-0.171	0.000	0.000	0.000	0.000
214	A	214	ALA	0	0.033	0.033	21.493	-0.013	-0.013	0.000	0.000	0.000	0.000
215	A	215	VAL	0	-0.025	0.001	22.526	-0.013	-0.013	0.000	0.000	0.000	0.000
216	A	216	PHE	0	0.003	-0.008	16.669	-0.012	-0.012	0.000	0.000	0.000	0.000
217	A	217	ARG	1	0.898	0.961	22.744	-0.078	-0.078	0.000	0.000	0.000	0.000
218	A	218	SER	0	-0.088	-0.054	25.958	-0.009	-0.009	0.000	0.000	0.000	0.000
219	A	219	TRP	0	0.026	0.028	24.899	-0.006	-0.006	0.000	0.000	0.000	0.000
220	A	220	GLY	0	-0.002	-0.010	26.895	-0.007	-0.007	0.000	0.000	0.000	0.000
221	A	221	ASN	0	0.036	0.017	28.369	-0.004	-0.004	0.000	0.000	0.000	0.000
222	A	222	PRO	0	0.131	0.073	31.252	-0.005	-0.005	0.000	0.000	0.000	0.000
223	A	223	ARG	1	0.868	0.925	32.790	-0.031	-0.031	0.000	0.000	0.000	0.000
224	A	224	ALA	0	0.002	-0.013	31.156	-0.001	-0.001	0.000	0.000	0.000	0.000
225	A	225	THR	0	-0.055	-0.030	31.000	-0.005	-0.005	0.000	0.000	0.000	0.000
226	A	226	ILE	0	0.025	0.018	32.965	-0.005	-0.005	0.000	0.000	0.000	0.000
227	A	227	TYR	0	0.031	0.003	32.370	-0.003	-0.003	0.000	0.000	0.000	0.000
228	A	228	ARG	1	0.889	0.949	27.937	0.009	0.009	0.000	0.000	0.000	0.000
229	A	229	ARG	1	0.902	0.954	33.287	0.014	0.014	0.000	0.000	0.000	0.000
230	A	230	MET	0	0.041	0.007	36.702	-0.003	-0.003	0.000	0.000	0.000	0.000
231	A	231	ASN	0	-0.051	-0.018	34.517	0.001	0.001	0.000	0.000	0.000	0.000
232	A	232	ASN	0	-0.077	-0.038	34.730	-0.005	-0.005	0.000	0.000	0.000	0.000
233	A	233	ILE	0	0.039	0.033	29.332	-0.003	-0.003	0.000	0.000	0.000	0.000
234	A	234	THR	0	-0.028	-0.015	29.953	0.002	0.002	0.000	0.000	0.000	0.000
235	A	235	GLY	0	-0.010	-0.006	26.582	-0.004	-0.004	0.000	0.000	0.000	0.000
236	A	236	LEU	0	0.003	-0.010	24.961	-0.003	-0.003	0.000	0.000	0.000	0.000
237	A	237	LEU	0	-0.010	0.007	18.053	-0.004	-0.004	0.000	0.000	0.000	0.000
238	A	238	GLY	0	0.057	-0.007	21.560	0.008	0.008	0.000	0.000	0.000	0.000
239	A	239	THR	0	-0.076	-0.057	21.669	-0.004	-0.004	0.000	0.000	0.000	0.000
240	A	240	ALA	0	0.040	0.020	18.751	0.007	0.007	0.000	0.000	0.000	0.000
241	A	241	VAL	0	-0.016	-0.011	18.472	0.002	0.002	0.000	0.000	0.000	0.000
242	A	242	ASN	0	-0.017	-0.013	18.739	0.007	0.007	0.000	0.000	0.000	0.000
243	A	243	VAL	0	0.026	0.028	18.473	-0.004	-0.004	0.000	0.000	0.000	0.000
244	A	244	GLN	0	-0.017	-0.012	20.338	-0.004	-0.004	0.000	0.000	0.000	0.000
245	A	245	ALA	0	0.012	0.018	22.635	0.003	0.003	0.000	0.000	0.000	0.000
246	A	246	MET	0	-0.054	-0.008	24.310	-0.010	-0.010	0.000	0.000	0.000	0.000
247	A	247	VAL	0	-0.030	-0.018	27.989	0.002	0.002	0.000	0.000	0.000	0.000
248	A	248	PHE	0	0.005	-0.009	30.743	-0.003	-0.003	0.000	0.000	0.000	0.000
249	A	249	GLY	0	0.051	0.005	34.490	0.000	0.000	0.000	0.000	0.000	0.000
250	A	250	ASN	0	-0.033	-0.013	37.704	-0.001	-0.001	0.000	0.000	0.000	0.000
251	A	251	ILE	0	0.037	0.031	33.663	0.001	0.001	0.000	0.000	0.000	0.000
252	A	252	ASN	0	-0.014	-0.027	38.289	-0.002	-0.002	0.000	0.000	0.000	0.000
253	A	253	ASP	-1	-0.813	-0.897	41.231	0.031	0.031	0.000	0.000	0.000	0.000
254	A	254	ARG	1	0.811	0.902	36.618	-0.045	-0.045	0.000	0.000	0.000	0.000
255	A	255	SER	0	-0.010	-0.005	37.957	0.002	0.002	0.000	0.000	0.000	0.000
256	A	256	ALA	0	0.034	0.030	38.594	-0.002	-0.002	0.000	0.000	0.000	0.000
257	A	257	THR	0	-0.025	0.008	37.195	0.001	0.001	0.000	0.000	0.000	0.000
258	A	258	GLY	0	0.048	0.006	39.094	-0.001	-0.001	0.000	0.000	0.000	0.000
259	A	259	VAL	0	-0.025	-0.003	39.417	0.001	0.001	0.000	0.000	0.000	0.000
260	A	260	ALA	0	-0.041	-0.024	40.453	-0.001	-0.001	0.000	0.000	0.000	0.000
261	A	261	PHE	0	0.036	0.010	40.833	-0.001	-0.001	0.000	0.000	0.000	0.000
262	A	262	SER	0	-0.066	-0.055	40.424	0.000	0.000	0.000	0.000	0.000	0.000
263	A	263	ARG	1	0.753	0.826	42.488	0.008	0.008	0.000	0.000	0.000	0.000
264	A	264	SER	0	-0.027	-0.005	46.012	0.001	0.001	0.000	0.000	0.000	0.000
265	A	265	PRO	0	0.036	0.035	46.308	-0.001	-0.001	0.000	0.000	0.000	0.000
266	A	266	SER	0	0.024	0.004	48.242	0.000	0.000	0.000	0.000	0.000	0.000
267	A	267	THR	0	-0.036	-0.045	52.066	-0.001	-0.001	0.000	0.000	0.000	0.000
268	A	268	GLY	0	0.038	0.002	49.777	-0.001	-0.001	0.000	0.000	0.000	0.000
269	A	269	GLU	-1	-0.870	-0.897	49.922	-0.001	-0.001	0.000	0.000	0.000	0.000
270	A	270	ASN	0	0.065	0.021	46.416	0.002	0.002	0.000	0.000	0.000	0.000
271	A	271	PHE	0	0.029	0.010	48.575	0.000	0.000	0.000	0.000	0.000	0.000
272	A	272	PHE	0	0.015	-0.005	40.015	0.000	0.000	0.000	0.000	0.000	0.000
273	A	273	PHE	0	0.035	0.019	45.983	0.001	0.001	0.000	0.000	0.000	0.000
274	A	274	GLY	0	0.030	-0.008	44.651	0.000	0.000	0.000	0.000	0.000	0.000
275	A	275	GLU	-1	-0.866	-0.920	44.486	0.011	0.011	0.000	0.000	0.000	0.000
276	A	276	TYR	0	-0.017	-0.032	42.967	0.001	0.001	0.000	0.000	0.000	0.000
277	A	277	LEU	0	0.001	0.004	43.542	-0.001	-0.001	0.000	0.000	0.000	0.000
278	A	278	VAL	0	0.017	0.006	43.144	0.001	0.001	0.000	0.000	0.000	0.000
279	A	279	ASN	0	-0.065	-0.047	41.810	0.001	0.001	0.000	0.000	0.000	0.000
280	A	280	ALA	0	0.023	-0.004	41.536	-0.001	-0.001	0.000	0.000	0.000	0.000
281	A	281	GLN	0	0.029	0.035	35.411	0.001	0.001	0.000	0.000	0.000	0.000
282	A	282	GLY	0	0.016	0.015	39.283	-0.002	-0.002	0.000	0.000	0.000	0.000
283	A	283	GLU	-1	-0.909	-0.969	39.362	0.036	0.036	0.000	0.000	0.000	0.000
284	A	284	ASP	-1	-0.827	-0.911	42.621	0.027	0.027	0.000	0.000	0.000	0.000
285	A	285	VAL	0	-0.068	-0.045	42.782	-0.002	-0.002	0.000	0.000	0.000	0.000
286	A	286	VAL	0	-0.042	-0.027	43.276	-0.002	-0.002	0.000	0.000	0.000	0.000
287	A	287	ALA	0	-0.006	-0.001	46.051	-0.001	-0.001	0.000	0.000	0.000	0.000
288	A	288	GLY	0	0.003	0.005	48.109	-0.001	-0.001	0.000	0.000	0.000	0.000
289	A	289	ILE	0	-0.065	-0.037	50.389	-0.001	-0.001	0.000	0.000	0.000	0.000
290	A	290	ARG	1	0.802	0.901	45.433	-0.026	-0.026	0.000	0.000	0.000	0.000
291	A	291	THR	0	0.025	0.009	50.943	0.000	0.000	0.000	0.000	0.000	0.000
292	A	292	PRO	0	0.033	0.033	48.779	0.001	0.001	0.000	0.000	0.000	0.000
293	A	293	GLN	0	0.030	0.027	48.312	-0.001	-0.001	0.000	0.000	0.000	0.000
294	A	294	GLN	0	0.029	0.018	47.931	-0.001	-0.001	0.000	0.000	0.000	0.000
295	A	295	ILE	0	-0.002	0.001	43.239	0.001	0.001	0.000	0.000	0.000	0.000
296	A	296	ASN	0	-0.003	-0.005	46.361	0.000	0.000	0.000	0.000	0.000	0.000
297	A	297	HIS	0	0.007	-0.015	48.332	0.000	0.000	0.000	0.000	0.000	0.000
298	A	298	SER	0	-0.006	-0.008	51.347	0.000	0.000	0.000	0.000	0.000	0.000
299	A	299	LEU	0	-0.009	-0.020	49.512	0.000	0.000	0.000	0.000	0.000	0.000
300	A	300	SER	0	0.028	0.027	52.096	0.000	0.000	0.000	0.000	0.000	0.000
301	A	301	LEU	0	0.007	0.002	53.833	0.000	0.000	0.000	0.000	0.000	0.000
302	A	302	ARG	1	0.812	0.903	54.410	-0.002	-0.002	0.000	0.000	0.000	0.000
303	A	303	TRP	0	0.025	0.015	55.180	0.000	0.000	0.000	0.000	0.000	0.000
304	A	304	ALA	0	0.002	0.007	57.233	0.000	0.000	0.000	0.000	0.000	0.000
305	A	305	LYS	1	0.952	0.978	59.357	-0.005	-0.005	0.000	0.000	0.000	0.000
306	A	306	ALA	0	-0.027	-0.004	60.300	-0.001	-0.001	0.000	0.000	0.000	0.000
307	A	307	HIS	0	-0.032	-0.020	58.571	0.000	0.000	0.000	0.000	0.000	0.000
308	A	308	GLY	0	0.001	0.003	62.708	0.000	0.000	0.000	0.000	0.000	0.000
309	A	309	VAL	0	-0.029	0.001	59.378	0.000	0.000	0.000	0.000	0.000	0.000
310	A	310	GLY	0	0.064	0.040	62.709	-0.001	-0.001	0.000	0.000	0.000	0.000
311	A	311	GLU	-1	-0.779	-0.897	57.809	0.010	0.010	0.000	0.000	0.000	0.000
312	A	312	GLU	-1	-0.896	-0.957	59.482	0.010	0.010	0.000	0.000	0.000	0.000
313	A	313	GLU	-1	-0.893	-0.917	59.704	0.014	0.014	0.000	0.000	0.000	0.000
314	A	314	ARG	1	0.744	0.831	52.927	-0.010	-0.010	0.000	0.000	0.000	0.000
315	A	315	ARG	1	0.896	0.944	51.792	-0.013	-0.013	0.000	0.000	0.000	0.000
316	A	316	LYS	1	0.857	0.905	54.508	-0.013	-0.013	0.000	0.000	0.000	0.000
317	A	317	ARG	1	0.849	0.930	54.699	-0.014	-0.014	0.000	0.000	0.000	0.000
318	A	318	TYR	0	-0.048	-0.034	52.800	0.001	0.001	0.000	0.000	0.000	0.000
319	A	319	PRO	0	0.032	0.024	50.111	-0.001	-0.001	0.000	0.000	0.000	0.000
320	A	320	SER	0	0.042	-0.015	49.025	-0.001	-0.001	0.000	0.000	0.000	0.000
321	A	321	MET	0	0.001	0.046	39.351	0.000	0.000	0.000	0.000	0.000	0.000
322	A	322	GLU	-1	-0.806	-0.907	45.231	0.007	0.007	0.000	0.000	0.000	0.000
323	A	323	GLU	-1	-0.782	-0.838	46.680	0.011	0.011	0.000	0.000	0.000	0.000
324	A	324	ALA	0	-0.048	-0.019	46.587	0.001	0.001	0.000	0.000	0.000	0.000
325	A	325	MET	0	-0.021	-0.021	41.694	0.001	0.001	0.000	0.000	0.000	0.000
326	A	326	PRO	0	0.030	0.034	42.151	0.000	0.000	0.000	0.000	0.000	0.000
327	A	327	GLU	-1	-0.824	-0.886	38.745	0.014	0.014	0.000	0.000	0.000	0.000
328	A	328	ASN	0	0.012	-0.022	36.743	-0.002	-0.002	0.000	0.000	0.000	0.000
329	A	329	TYR	0	0.021	0.022	38.996	-0.001	-0.001	0.000	0.000	0.000	0.000
330	A	330	ARG	1	0.872	0.907	40.334	-0.013	-0.013	0.000	0.000	0.000	0.000
331	A	331	LEU	0	0.031	0.022	33.288	-0.002	-0.002	0.000	0.000	0.000	0.000
332	A	332	LEU	0	-0.033	-0.030	36.514	-0.002	-0.002	0.000	0.000	0.000	0.000
333	A	333	CYS	0	-0.042	-0.021	37.879	-0.002	-0.002	0.000	0.000	0.000	0.000
334	A	334	ASP	-1	-0.925	-0.950	34.751	-0.005	-0.005	0.000	0.000	0.000	0.000
335	A	335	VAL	0	0.037	0.004	32.831	-0.003	-0.003	0.000	0.000	0.000	0.000
336	A	336	ARG	1	0.840	0.933	35.243	0.001	0.001	0.000	0.000	0.000	0.000
337	A	337	LYS	1	0.955	0.979	38.098	0.010	0.010	0.000	0.000	0.000	0.000
338	A	338	ARG	1	0.842	0.926	29.297	0.005	0.005	0.000	0.000	0.000	0.000
339	A	339	LEU	0	0.040	0.010	31.290	-0.003	-0.003	0.000	0.000	0.000	0.000
340	A	340	GLU	-1	-0.752	-0.820	34.585	-0.010	-0.010	0.000	0.000	0.000	0.000
341	A	341	ASN	0	-0.042	-0.039	36.523	-0.001	-0.001	0.000	0.000	0.000	0.000
342	A	342	HIS	0	-0.086	-0.031	29.036	-0.003	-0.003	0.000	0.000	0.000	0.000
343	A	343	TYR	0	-0.014	-0.025	29.386	-0.003	-0.003	0.000	0.000	0.000	0.000
344	A	344	ARG	1	0.848	0.944	35.240	0.028	0.028	0.000	0.000	0.000	0.000
345	A	345	ASP	-1	-0.732	-0.846	38.738	-0.013	-0.013	0.000	0.000	0.000	0.000
346	A	346	MET	0	-0.071	0.008	39.331	0.001	0.001	0.000	0.000	0.000	0.000
347	A	347	GLN	0	0.007	-0.016	35.698	0.001	0.001	0.000	0.000	0.000	0.000
348	A	348	ASP	-1	-0.868	-0.925	38.363	0.006	0.006	0.000	0.000	0.000	0.000
349	A	349	LEU	0	-0.019	-0.020	35.338	0.000	0.000	0.000	0.000	0.000	0.000
350	A	350	GLU	-1	-0.793	-0.874	35.250	0.020	0.020	0.000	0.000	0.000	0.000
351	A	351	PHE	0	0.003	-0.015	34.637	0.001	0.001	0.000	0.000	0.000	0.000
352	A	352	THR	0	0.024	-0.007	33.686	0.001	0.001	0.000	0.000	0.000	0.000
353	A	353	VAL	0	-0.063	-0.024	34.349	0.001	0.001	0.000	0.000	0.000	0.000
354	A	354	GLN	0	0.103	0.073	30.176	0.000	0.000	0.000	0.000	0.000	0.000
355	A	355	ASP	-1	-0.780	-0.877	33.842	0.050	0.050	0.000	0.000	0.000	0.000
356	A	356	GLY	0	-0.018	-0.017	35.442	0.001	0.001	0.000	0.000	0.000	0.000
357	A	357	ARG	1	0.919	0.972	25.631	-0.062	-0.062	0.000	0.000	0.000	0.000
358	A	358	LEU	0	-0.033	-0.014	33.598	0.001	0.001	0.000	0.000	0.000	0.000
359	A	359	TRP	0	0.018	0.015	25.942	0.002	0.002	0.000	0.000	0.000	0.000
360	A	360	LEU	0	-0.004	-0.012	30.442	-0.002	-0.002	0.000	0.000	0.000	0.000
361	A	361	LEU	0	-0.016	-0.013	29.997	0.001	0.001	0.000	0.000	0.000	0.000
362	A	362	GLN	0	-0.032	-0.021	30.537	-0.003	-0.003	0.000	0.000	0.000	0.000
363	A	363	CYS	0	0.011	0.015	31.973	-0.001	-0.001	0.000	0.000	0.000	0.000
364	A	364	ARG	1	0.717	0.846	32.981	-0.011	-0.011	0.000	0.000	0.000	0.000
365	A	365	ASN	0	0.065	0.037	35.435	0.000	0.000	0.000	0.000	0.000	0.000
366	A	366	GLY	0	0.040	0.028	37.983	0.001	0.001	0.000	0.000	0.000	0.000
367	A	367	LYS	1	0.942	0.963	40.717	0.002	0.002	0.000	0.000	0.000	0.000
368	A	368	ARG	1	0.738	0.827	41.808	0.010	0.010	0.000	0.000	0.000	0.000
369	A	369	THR	0	0.064	0.050	47.203	-0.001	-0.001	0.000	0.000	0.000	0.000
370	A	370	ILE	0	0.060	0.026	50.371	-0.001	-0.001	0.000	0.000	0.000	0.000
371	A	371	HIS	0	0.010	-0.011	52.320	-0.001	-0.001	0.000	0.000	0.000	0.000
372	A	372	ALA	0	0.036	0.027	49.473	-0.001	-0.001	0.000	0.000	0.000	0.000
373	A	373	ALA	0	-0.014	-0.015	48.289	-0.001	-0.001	0.000	0.000	0.000	0.000
374	A	374	VAL	0	0.002	-0.009	49.222	-0.001	-0.001	0.000	0.000	0.000	0.000
375	A	375	ARG	1	0.819	0.916	51.624	0.008	0.008	0.000	0.000	0.000	0.000
376	A	376	ILE	0	0.045	0.010	45.312	-0.001	-0.001	0.000	0.000	0.000	0.000
377	A	377	ALA	0	-0.008	0.018	47.346	-0.001	-0.001	0.000	0.000	0.000	0.000
378	A	378	ILE	0	0.002	-0.007	48.405	-0.001	-0.001	0.000	0.000	0.000	0.000
379	A	379	ASP	-1	-0.859	-0.916	49.082	-0.010	-0.010	0.000	0.000	0.000	0.000
380	A	380	MET	0	-0.008	0.002	43.334	-0.001	-0.001	0.000	0.000	0.000	0.000
381	A	381	VAL	0	-0.035	0.004	46.082	-0.002	-0.002	0.000	0.000	0.000	0.000
382	A	382	ASN	0	-0.058	-0.031	48.408	-0.002	-0.002	0.000	0.000	0.000	0.000
383	A	383	GLU	-1	-0.862	-0.914	45.527	-0.012	-0.012	0.000	0.000	0.000	0.000
384	A	384	GLY	0	0.005	0.013	45.656	-0.001	-0.001	0.000	0.000	0.000	0.000
385	A	385	LEU	0	-0.066	-0.024	40.231	-0.002	-0.002	0.000	0.000	0.000	0.000
386	A	386	ILE	0	-0.020	-0.011	41.530	-0.002	-0.002	0.000	0.000	0.000	0.000
387	A	387	SER	0	0.050	0.028	43.736	0.001	0.001	0.000	0.000	0.000	0.000
388	A	388	ARG	1	1.040	1.009	46.207	0.021	0.021	0.000	0.000	0.000	0.000
389	A	389	GLU	-1	-0.768	-0.864	45.505	-0.031	-0.031	0.000	0.000	0.000	0.000
390	A	390	GLU	-1	-0.826	-0.910	41.320	-0.027	-0.027	0.000	0.000	0.000	0.000
391	A	391	ALA	0	-0.003	0.002	45.083	0.001	0.001	0.000	0.000	0.000	0.000
392	A	392	VAL	0	0.035	0.022	47.538	0.001	0.001	0.000	0.000	0.000	0.000
393	A	393	LEU	0	-0.029	-0.021	43.581	0.001	0.001	0.000	0.000	0.000	0.000
394	A	394	ARG	1	0.720	0.843	39.781	0.021	0.021	0.000	0.000	0.000	0.000
395	A	395	ILE	0	-0.046	-0.016	45.960	0.002	0.002	0.000	0.000	0.000	0.000
396	A	396	ASP	-1	-0.793	-0.898	48.165	-0.012	-0.012	0.000	0.000	0.000	0.000
397	A	397	PRO	0	0.010	-0.009	49.837	0.001	0.001	0.000	0.000	0.000	0.000
398	A	398	TYR	0	0.010	-0.011	50.166	0.000	0.000	0.000	0.000	0.000	0.000
399	A	399	GLN	0	-0.051	-0.028	47.983	0.002	0.002	0.000	0.000	0.000	0.000
400	A	400	VAL	0	-0.033	-0.004	53.334	0.001	0.001	0.000	0.000	0.000	0.000
401	A	401	ASP	-1	-0.780	-0.889	55.895	-0.008	-0.008	0.000	0.000	0.000	0.000
402	A	402	HIS	0	0.044	0.023	53.352	0.001	0.001	0.000	0.000	0.000	0.000
403	A	403	LEU	0	-0.083	-0.039	56.042	0.001	0.001	0.000	0.000	0.000	0.000
404	A	404	MET	0	-0.108	-0.049	59.256	0.000	0.000	0.000	0.000	0.000	0.000
405	A	405	HIS	0	0.005	0.020	57.728	0.000	0.000	0.000	0.000	0.000	0.000
406	A	406	PRO	0	-0.039	-0.022	62.473	0.000	0.000	0.000	0.000	0.000	0.000
407	A	407	ASN	0	-0.004	-0.012	63.162	0.000	0.000	0.000	0.000	0.000	0.000
408	A	408	LEU	0	0.058	0.014	65.680	0.000	0.000	0.000	0.000	0.000	0.000
409	A	409	GLU	-1	-0.917	-0.944	68.818	-0.002	-0.002	0.000	0.000	0.000	0.000
410	A	410	PRO	0	0.059	0.018	71.483	0.000	0.000	0.000	0.000	0.000	0.000
411	A	411	GLY	0	-0.018	-0.012	73.462	0.000	0.000	0.000	0.000	0.000	0.000
412	A	412	ALA	0	-0.033	-0.027	71.115	0.000	0.000	0.000	0.000	0.000	0.000
413	A	413	GLU	-1	-0.864	-0.950	71.771	0.002	0.002	0.000	0.000	0.000	0.000
414	A	414	LYS	1	0.922	0.989	75.819	-0.001	-0.001	0.000	0.000	0.000	0.000
415	A	415	ALA	0	-0.040	-0.036	76.937	0.000	0.000	0.000	0.000	0.000	0.000
416	A	416	ASN	0	0.040	0.026	73.425	0.000	0.000	0.000	0.000	0.000	0.000
417	A	417	LYS	1	0.930	0.971	73.637	-0.003	-0.003	0.000	0.000	0.000	0.000
418	A	418	PRO	0	0.027	0.009	68.977	0.000	0.000	0.000	0.000	0.000	0.000
419	A	419	ILE	0	-0.042	-0.003	69.401	0.000	0.000	0.000	0.000	0.000	0.000
420	A	420	GLY	0	0.072	0.010	66.628	0.001	0.001	0.000	0.000	0.000	0.000
421	A	421	ARG	1	0.829	0.903	61.941	-0.006	-0.006	0.000	0.000	0.000	0.000
422	A	422	GLY	0	0.079	0.051	59.806	0.001	0.001	0.000	0.000	0.000	0.000
423	A	423	LEU	0	-0.016	0.006	52.934	0.000	0.000	0.000	0.000	0.000	0.000
424	A	424	ALA	0	-0.007	-0.005	56.556	0.000	0.000	0.000	0.000	0.000	0.000
425	A	425	ALA	0	-0.025	-0.020	53.525	-0.001	-0.001	0.000	0.000	0.000	0.000
426	A	426	SER	0	0.021	0.007	53.025	-0.001	-0.001	0.000	0.000	0.000	0.000
427	A	427	PRO	0	0.026	-0.014	54.573	0.000	0.000	0.000	0.000	0.000	0.000
428	A	428	GLY	0	0.046	-0.001	57.613	0.000	0.000	0.000	0.000	0.000	0.000
429	A	429	ALA	0	-0.032	-0.039	60.932	0.001	0.001	0.000	0.000	0.000	0.000
430	A	430	ALA	0	0.011	0.021	63.214	0.000	0.000	0.000	0.000	0.000	0.000
431	A	431	VAL	0	-0.011	-0.011	65.223	0.000	0.000	0.000	0.000	0.000	0.000
432	A	432	GLY	0	-0.001	-0.004	67.492	0.000	0.000	0.000	0.000	0.000	0.000
433	A	433	GLN	0	0.039	0.002	68.963	0.000	0.000	0.000	0.000	0.000	0.000
434	A	434	VAL	0	-0.049	0.003	66.663	0.000	0.000	0.000	0.000	0.000	0.000
435	A	435	VAL	0	-0.018	-0.023	63.970	0.000	0.000	0.000	0.000	0.000	0.000
436	A	436	PHE	0	0.009	-0.011	63.529	0.000	0.000	0.000	0.000	0.000	0.000
437	A	437	ASP	-1	-0.770	-0.856	60.356	0.010	0.010	0.000	0.000	0.000	0.000
438	A	438	ALA	0	0.029	0.021	57.231	-0.001	-0.001	0.000	0.000	0.000	0.000
439	A	439	GLU	-1	-0.864	-0.951	59.171	0.009	0.009	0.000	0.000	0.000	0.000
440	A	440	SER	0	-0.058	-0.053	61.919	-0.001	-0.001	0.000	0.000	0.000	0.000
441	A	441	ALA	0	-0.033	-0.028	61.464	-0.001	-0.001	0.000	0.000	0.000	0.000
442	A	442	LYS	1	0.856	0.939	58.001	-0.005	-0.005	0.000	0.000	0.000	0.000
443	A	443	GLU	-1	-0.881	-0.907	62.336	0.004	0.004	0.000	0.000	0.000	0.000
444	A	444	TRP	0	-0.021	-0.032	66.050	-0.001	-0.001	0.000	0.000	0.000	0.000
445	A	445	SER	0	-0.036	0.000	63.965	0.000	0.000	0.000	0.000	0.000	0.000
446	A	446	GLY	0	0.089	0.039	66.061	0.000	0.000	0.000	0.000	0.000	0.000
447	A	447	ARG	1	0.855	0.914	68.290	-0.004	-0.004	0.000	0.000	0.000	0.000
448	A	448	GLY	0	-0.010	0.002	70.206	0.000	0.000	0.000	0.000	0.000	0.000
449	A	449	LYS	1	0.828	0.918	70.552	-0.003	-0.003	0.000	0.000	0.000	0.000
450	A	450	LYS	1	0.967	0.983	67.124	0.000	0.000	0.000	0.000	0.000	0.000
451	A	451	VAL	0	0.026	0.015	63.804	0.000	0.000	0.000	0.000	0.000	0.000
452	A	452	ILE	0	-0.007	0.009	63.546	0.000	0.000	0.000	0.000	0.000	0.000
453	A	453	MET	0	0.023	0.018	58.497	0.000	0.000	0.000	0.000	0.000	0.000
454	A	454	VAL	0	-0.041	-0.016	61.025	0.000	0.000	0.000	0.000	0.000	0.000
455	A	455	ARG	1	0.827	0.886	56.837	-0.011	-0.011	0.000	0.000	0.000	0.000
456	A	456	LEU	0	0.033	0.004	55.600	0.000	0.000	0.000	0.000	0.000	0.000
457	A	457	GLU	-1	-0.827	-0.912	51.996	0.017	0.017	0.000	0.000	0.000	0.000
458	A	458	THR	0	-0.010	-0.026	51.851	0.000	0.000	0.000	0.000	0.000	0.000
459	A	459	SER	0	0.023	-0.021	49.616	0.000	0.000	0.000	0.000	0.000	0.000
460	A	460	PRO	0	-0.057	-0.017	45.982	-0.001	-0.001	0.000	0.000	0.000	0.000
461	A	461	GLU	-1	-0.794	-0.882	48.930	0.015	0.015	0.000	0.000	0.000	0.000
462	A	462	ASP	-1	-0.864	-0.925	51.865	0.010	0.010	0.000	0.000	0.000	0.000
463	A	463	LEU	0	0.008	-0.009	48.890	-0.001	-0.001	0.000	0.000	0.000	0.000
464	A	464	ALA	0	0.044	0.018	53.009	-0.001	-0.001	0.000	0.000	0.000	0.000
465	A	465	GLY	0	0.069	0.024	55.385	-0.001	-0.001	0.000	0.000	0.000	0.000
466	A	466	MET	0	-0.042	-0.010	51.962	0.000	0.000	0.000	0.000	0.000	0.000
467	A	467	ASP	-1	-0.920	-0.969	54.437	0.002	0.002	0.000	0.000	0.000	0.000
468	A	468	ALA	0	-0.003	0.003	56.452	-0.001	-0.001	0.000	0.000	0.000	0.000
469	A	469	ALA	0	-0.028	-0.008	59.991	-0.001	-0.001	0.000	0.000	0.000	0.000
470	A	470	CYS	0	-0.057	-0.031	60.387	-0.001	-0.001	0.000	0.000	0.000	0.000
471	A	471	GLY	0	0.009	0.001	60.632	0.000	0.000	0.000	0.000	0.000	0.000
472	A	472	ILE	0	-0.004	0.002	55.576	0.000	0.000	0.000	0.000	0.000	0.000
473	A	473	LEU	0	-0.011	-0.016	59.374	0.000	0.000	0.000	0.000	0.000	0.000
474	A	474	THR	0	-0.031	-0.022	55.216	0.000	0.000	0.000	0.000	0.000	0.000
475	A	475	ALA	0	0.001	0.012	58.288	0.000	0.000	0.000	0.000	0.000	0.000
476	A	476	ARG	1	0.855	0.918	52.805	-0.017	-0.017	0.000	0.000	0.000	0.000
477	A	477	GLY	0	0.048	0.005	51.541	0.000	0.000	0.000	0.000	0.000	0.000
478	A	478	GLY	0	0.048	0.026	49.958	-0.001	-0.001	0.000	0.000	0.000	0.000
479	A	479	MET	0	-0.015	-0.018	48.637	-0.001	-0.001	0.000	0.000	0.000	0.000
480	A	480	THR	0	-0.024	-0.015	44.726	-0.001	-0.001	0.000	0.000	0.000	0.000
481	A	481	SER	0	-0.018	0.021	46.818	0.001	0.001	0.000	0.000	0.000	0.000
482	A	482	HIS	0	0.104	0.058	46.876	-0.001	-0.001	0.000	0.000	0.000	0.000
483	A	483	ALA	0	0.041	0.016	48.805	-0.001	-0.001	0.000	0.000	0.000	0.000
484	A	484	ALA	0	-0.006	-0.006	50.222	-0.001	-0.001	0.000	0.000	0.000	0.000
485	A	485	VAL	0	-0.017	-0.010	44.910	-0.001	-0.001	0.000	0.000	0.000	0.000
486	A	486	VAL	0	0.028	0.001	47.745	-0.001	-0.001	0.000	0.000	0.000	0.000
487	A	487	ALA	0	0.013	0.020	49.468	-0.001	-0.001	0.000	0.000	0.000	0.000
488	A	488	ARG	1	0.831	0.911	47.221	-0.006	-0.006	0.000	0.000	0.000	0.000
489	A	489	GLY	0	-0.063	-0.020	48.403	-0.001	-0.001	0.000	0.000	0.000	0.000
490	A	490	MET	0	-0.041	-0.021	49.168	-0.001	-0.001	0.000	0.000	0.000	0.000
491	A	491	GLY	0	-0.013	0.005	52.651	0.000	0.000	0.000	0.000	0.000	0.000
492	A	492	LYS	1	0.789	0.913	54.581	-0.002	-0.002	0.000	0.000	0.000	0.000
493	A	493	CYS	0	-0.066	0.003	56.536	0.001	0.001	0.000	0.000	0.000	0.000
494	A	494	CYS	0	-0.037	-0.018	54.866	0.001	0.001	0.000	0.000	0.000	0.000
495	A	495	VAL	0	-0.004	0.013	57.829	0.000	0.000	0.000	0.000	0.000	0.000
496	A	496	SER	0	0.024	0.006	54.129	0.000	0.000	0.000	0.000	0.000	0.000
497	A	497	GLY	0	-0.019	0.005	55.802	0.000	0.000	0.000	0.000	0.000	0.000
498	A	498	CYS	0	-0.047	-0.012	56.451	0.000	0.000	0.000	0.000	0.000	0.000
499	A	499	GLY	0	0.049	0.015	59.915	0.000	0.000	0.000	0.000	0.000	0.000
500	A	500	ASP	-1	-0.894	-0.939	60.468	0.010	0.010	0.000	0.000	0.000	0.000
501	A	501	MET	0	-0.065	-0.028	62.728	0.000	0.000	0.000	0.000	0.000	0.000
502	A	502	VAL	0	-0.024	0.003	63.324	0.001	0.001	0.000	0.000	0.000	0.000
503	A	503	ILE	0	0.028	-0.003	61.271	-0.001	-0.001	0.000	0.000	0.000	0.000
504	A	504	ARG	1	0.909	0.950	65.064	-0.010	-0.010	0.000	0.000	0.000	0.000
505	A	505	GLY	0	0.064	0.053	66.191	0.000	0.000	0.000	0.000	0.000	0.000
506	A	506	LYS	1	0.894	0.947	67.153	-0.007	-0.007	0.000	0.000	0.000	0.000
507	A	507	SER	0	-0.031	-0.041	68.522	0.000	0.000	0.000	0.000	0.000	0.000
508	A	508	PHE	0	0.035	0.002	66.533	0.000	0.000	0.000	0.000	0.000	0.000
509	A	509	LYS	1	0.900	0.961	68.470	-0.009	-0.009	0.000	0.000	0.000	0.000
510	A	510	LEU	0	-0.021	0.004	65.351	0.000	0.000	0.000	0.000	0.000	0.000
511	A	511	ASN	0	-0.019	-0.033	67.562	0.000	0.000	0.000	0.000	0.000	0.000
512	A	512	GLY	0	0.008	0.030	70.631	0.000	0.000	0.000	0.000	0.000	0.000
513	A	513	SER	0	-0.001	0.004	73.441	0.000	0.000	0.000	0.000	0.000	0.000
514	A	514	VAL	0	-0.032	-0.029	72.460	0.000	0.000	0.000	0.000	0.000	0.000
515	A	515	PHE	0	-0.014	-0.004	70.651	-0.001	-0.001	0.000	0.000	0.000	0.000
516	A	516	ARG	1	1.030	0.991	71.371	-0.006	-0.006	0.000	0.000	0.000	0.000
517	A	517	GLU	-1	-0.834	-0.895	70.293	0.006	0.006	0.000	0.000	0.000	0.000
518	A	518	GLY	0	-0.001	0.014	71.819	0.000	0.000	0.000	0.000	0.000	0.000
519	A	519	ASP	-1	-0.818	-0.886	71.898	0.003	0.003	0.000	0.000	0.000	0.000
520	A	520	TYR	0	-0.034	-0.016	67.084	0.000	0.000	0.000	0.000	0.000	0.000
521	A	521	ILE	0	-0.022	-0.017	67.603	0.000	0.000	0.000	0.000	0.000	0.000
522	A	522	THR	0	0.032	0.034	62.752	0.000	0.000	0.000	0.000	0.000	0.000
523	A	523	ILE	0	-0.078	-0.052	63.202	-0.001	-0.001	0.000	0.000	0.000	0.000
524	A	524	ASP	-1	-0.783	-0.853	58.976	0.001	0.001	0.000	0.000	0.000	0.000
525	A	525	GLY	0	-0.002	-0.001	59.448	0.000	0.000	0.000	0.000	0.000	0.000
526	A	526	SER	0	-0.095	-0.039	59.582	0.001	0.001	0.000	0.000	0.000	0.000
527	A	527	LYS	1	0.926	0.970	61.459	-0.002	-0.002	0.000	0.000	0.000	0.000
528	A	528	GLY	0	0.011	0.014	64.972	0.000	0.000	0.000	0.000	0.000	0.000
529	A	529	LEU	0	-0.038	-0.034	66.569	0.000	0.000	0.000	0.000	0.000	0.000
530	A	530	ILE	0	-0.017	-0.020	70.080	0.000	0.000	0.000	0.000	0.000	0.000
531	A	531	TYR	0	0.008	-0.008	71.797	0.000	0.000	0.000	0.000	0.000	0.000
532	A	532	ALA	0	-0.001	-0.003	72.046	0.000	0.000	0.000	0.000	0.000	0.000
533	A	533	GLY	0	0.043	0.030	72.083	0.000	0.000	0.000	0.000	0.000	0.000
534	A	534	LYS	1	0.844	0.929	73.162	0.001	0.001	0.000	0.000	0.000	0.000
535	A	535	LEU	0	0.015	0.007	67.131	0.000	0.000	0.000	0.000	0.000	0.000
536	A	536	LYS	1	0.908	0.946	67.901	0.002	0.002	0.000	0.000	0.000	0.000
537	A	537	LEU	0	0.078	0.037	67.541	0.000	0.000	0.000	0.000	0.000	0.000
538	A	538	ARG	1	0.943	0.989	62.343	0.004	0.004	0.000	0.000	0.000	0.000
539	A	539	SER	0	0.018	-0.023	65.037	-0.001	-0.001	0.000	0.000	0.000	0.000
540	A	540	PRO	0	-0.025	0.019	66.901	-0.001	-0.001	0.000	0.000	0.000	0.000
541	A	541	ASP	-1	-0.834	-0.929	62.143	-0.008	-0.008	0.000	0.000	0.000	0.000
542	A	542	LEU	0	-0.065	-0.051	57.353	0.000	0.000	0.000	0.000	0.000	0.000
543	A	543	LYS	1	1.012	1.030	61.104	0.005	0.005	0.000	0.000	0.000	0.000
544	A	544	GLY	0	0.085	0.036	62.218	0.000	0.000	0.000	0.000	0.000	0.000
545	A	545	SER	0	-0.045	-0.022	56.547	0.000	0.000	0.000	0.000	0.000	0.000
546	A	546	PHE	0	0.060	0.016	55.164	-0.001	-0.001	0.000	0.000	0.000	0.000
547	A	547	GLN	0	-0.003	-0.005	58.018	-0.001	-0.001	0.000	0.000	0.000	0.000
548	A	548	THR	0	0.015	0.006	55.775	-0.001	-0.001	0.000	0.000	0.000	0.000
549	A	549	ILE	0	-0.006	0.003	53.010	-0.001	-0.001	0.000	0.000	0.000	0.000
550	A	550	LEU	0	0.000	0.009	55.515	-0.001	-0.001	0.000	0.000	0.000	0.000
551	A	551	GLN	0	0.005	0.016	58.169	-0.001	-0.001	0.000	0.000	0.000	0.000
552	A	552	TRP	0	0.069	0.016	51.477	-0.001	-0.001	0.000	0.000	0.000	0.000
553	A	553	CYS	0	-0.074	-0.036	54.374	-0.001	-0.001	0.000	0.000	0.000	0.000
554	A	554	GLN	0	-0.051	-0.052	55.450	-0.001	-0.001	0.000	0.000	0.000	0.000
555	A	555	GLU	-1	-0.919	-0.949	55.657	-0.020	-0.020	0.000	0.000	0.000	0.000
556	A	556	MET	0	-0.065	-0.029	51.180	-0.002	-0.002	0.000	0.000	0.000	0.000
557	A	557	LYS	1	0.768	0.887	53.720	0.016	0.016	0.000	0.000	0.000	0.000
558	A	558	ARG	1	0.822	0.931	54.466	0.024	0.024	0.000	0.000	0.000	0.000
559	A	559	LEU	0	-0.033	-0.010	56.404	0.000	0.000	0.000	0.000	0.000	0.000
560	A	560	GLY	0	0.033	0.029	59.122	0.000	0.000	0.000	0.000	0.000	0.000
561	A	561	VAL	0	-0.012	-0.012	60.295	0.000	0.000	0.000	0.000	0.000	0.000
562	A	562	ARG	1	0.757	0.843	63.166	0.014	0.014	0.000	0.000	0.000	0.000
563	A	563	THR	0	-0.023	-0.042	66.004	0.000	0.000	0.000	0.000	0.000	0.000
564	A	564	ASN	0	-0.022	0.009	66.516	0.000	0.000	0.000	0.000	0.000	0.000
565	A	565	ALA	0	0.019	-0.006	70.120	0.000	0.000	0.000	0.000	0.000	0.000
566	A	566	ASP	-1	-0.773	-0.874	73.290	-0.008	-0.008	0.000	0.000	0.000	0.000
567	A	567	THR	0	0.035	0.017	76.671	0.000	0.000	0.000	0.000	0.000	0.000
568	A	568	PRO	0	0.051	0.016	76.844	0.000	0.000	0.000	0.000	0.000	0.000
569	A	569	ALA	0	-0.009	-0.010	77.345	0.000	0.000	0.000	0.000	0.000	0.000
570	A	570	ASP	-1	-0.874	-0.925	73.532	-0.007	-0.007	0.000	0.000	0.000	0.000
571	A	571	ALA	0	-0.062	-0.023	72.689	0.000	0.000	0.000	0.000	0.000	0.000
572	A	572	ALA	0	0.022	-0.008	72.743	0.000	0.000	0.000	0.000	0.000	0.000
573	A	573	LYS	1	0.933	0.985	68.883	0.007	0.007	0.000	0.000	0.000	0.000
574	A	574	ALA	0	0.038	0.018	68.524	0.000	0.000	0.000	0.000	0.000	0.000
575	A	575	ARG	1	0.877	0.931	68.019	0.010	0.010	0.000	0.000	0.000	0.000
576	A	576	SER	0	-0.039	0.005	68.752	0.000	0.000	0.000	0.000	0.000	0.000
577	A	577	PHE	0	-0.037	-0.019	64.314	0.001	0.001	0.000	0.000	0.000	0.000
578	A	578	GLY	0	-0.011	-0.021	64.256	-0.001	-0.001	0.000	0.000	0.000	0.000
579	A	579	ALA	0	-0.019	0.001	65.271	-0.001	-0.001	0.000	0.000	0.000	0.000
580	A	580	GLU	-1	-0.812	-0.911	63.182	-0.016	-0.016	0.000	0.000	0.000	0.000
581	A	581	GLY	0	0.062	0.013	67.930	0.000	0.000	0.000	0.000	0.000	0.000
582	A	582	VAL	0	-0.070	-0.011	69.704	0.000	0.000	0.000	0.000	0.000	0.000
583	A	583	GLY	0	0.037	0.029	68.974	0.000	0.000	0.000	0.000	0.000	0.000
584	A	584	LEU	0	-0.041	-0.024	70.015	0.000	0.000	0.000	0.000	0.000	0.000
585	A	585	CYS	0	0.013	0.007	72.366	0.001	0.001	0.000	0.000	0.000	0.000
586	A	586	ARG	1	0.862	0.931	74.240	0.007	0.007	0.000	0.000	0.000	0.000
587	A	587	THR	0	0.003	-0.025	77.628	0.000	0.000	0.000	0.000	0.000	0.000
588	A	588	GLU	-1	-0.825	-0.912	78.266	-0.008	-0.008	0.000	0.000	0.000	0.000
589	A	589	HIS	1	0.938	0.946	79.902	0.007	0.007	0.000	0.000	0.000	0.000
590	A	590	MET	0	-0.090	-0.018	82.781	0.000	0.000	0.000	0.000	0.000	0.000
591	A	591	PHE	0	-0.008	-0.014	85.249	0.000	0.000	0.000	0.000	0.000	0.000
592	A	592	PHE	0	0.007	-0.003	83.919	0.000	0.000	0.000	0.000	0.000	0.000
593	A	593	GLU	-1	-0.942	-0.960	83.173	-0.005	-0.005	0.000	0.000	0.000	0.000
594	A	594	GLY	0	0.048	0.023	87.262	0.000	0.000	0.000	0.000	0.000	0.000
595	A	595	SER	0	-0.015	-0.028	90.678	0.000	0.000	0.000	0.000	0.000	0.000
596	A	596	ARG	1	0.786	0.890	86.166	0.006	0.006	0.000	0.000	0.000	0.000
597	A	597	ILE	0	0.055	0.048	88.963	0.000	0.000	0.000	0.000	0.000	0.000
598	A	598	ASN	0	0.003	-0.017	91.420	0.000	0.000	0.000	0.000	0.000	0.000
599	A	599	PHE	0	0.044	0.011	94.775	0.000	0.000	0.000	0.000	0.000	0.000
600	A	600	ILE	0	0.023	0.028	89.013	0.000	0.000	0.000	0.000	0.000	0.000
601	A	601	ARG	1	0.869	0.919	90.758	0.004	0.004	0.000	0.000	0.000	0.000
602	A	602	GLU	-1	-0.804	-0.867	94.670	-0.005	-0.005	0.000	0.000	0.000	0.000
603	A	603	MET	0	0.014	0.008	91.165	0.000	0.000	0.000	0.000	0.000	0.000
604	A	604	ILE	0	0.031	0.015	91.497	0.000	0.000	0.000	0.000	0.000	0.000
605	A	605	LEU	0	0.009	0.021	94.647	0.000	0.000	0.000	0.000	0.000	0.000
606	A	606	ALA	0	0.023	-0.006	98.130	0.000	0.000	0.000	0.000	0.000	0.000
607	A	607	ASP	-1	-0.868	-0.902	99.622	-0.005	-0.005	0.000	0.000	0.000	0.000
608	A	608	SER	0	-0.002	-0.030	100.438	0.000	0.000	0.000	0.000	0.000	0.000
609	A	609	ALA	0	0.024	0.025	98.113	0.000	0.000	0.000	0.000	0.000	0.000
610	A	610	SER	0	0.031	-0.004	99.227	0.000	0.000	0.000	0.000	0.000	0.000
611	A	611	GLY	0	0.011	0.016	101.844	0.000	0.000	0.000	0.000	0.000	0.000
612	A	612	ARG	1	0.894	0.943	95.329	0.006	0.006	0.000	0.000	0.000	0.000
613	A	613	LYS	1	0.851	0.920	96.273	0.007	0.007	0.000	0.000	0.000	0.000
614	A	614	ALA	0	0.022	0.002	98.474	0.000	0.000	0.000	0.000	0.000	0.000
615	A	615	ALA	0	-0.025	-0.007	97.568	0.000	0.000	0.000	0.000	0.000	0.000
616	A	616	LEU	0	-0.039	-0.005	92.618	0.000	0.000	0.000	0.000	0.000	0.000
617	A	617	ASP	-1	-0.868	-0.924	95.285	-0.007	-0.007	0.000	0.000	0.000	0.000
618	A	618	LYS	1	0.819	0.898	96.936	0.005	0.005	0.000	0.000	0.000	0.000
619	A	619	LEU	0	0.001	-0.021	91.341	0.000	0.000	0.000	0.000	0.000	0.000
620	A	620	LEU	0	-0.023	0.010	92.132	0.000	0.000	0.000	0.000	0.000	0.000
621	A	621	PRO	0	-0.012	-0.024	91.755	0.000	0.000	0.000	0.000	0.000	0.000
622	A	622	ILE	0	0.018	0.007	90.345	0.000	0.000	0.000	0.000	0.000	0.000
623	A	623	GLN	0	0.006	-0.003	87.422	0.000	0.000	0.000	0.000	0.000	0.000
624	A	624	ARG	1	0.931	0.964	87.629	0.007	0.007	0.000	0.000	0.000	0.000
625	A	625	ALA	0	-0.022	-0.010	88.087	0.000	0.000	0.000	0.000	0.000	0.000
626	A	626	ASP	-1	-0.761	-0.874	84.911	-0.006	-0.006	0.000	0.000	0.000	0.000
627	A	627	PHE	0	-0.001	-0.009	81.752	0.000	0.000	0.000	0.000	0.000	0.000
628	A	628	VAL	0	0.025	0.028	83.338	0.000	0.000	0.000	0.000	0.000	0.000
629	A	629	GLY	0	-0.021	0.002	83.676	0.000	0.000	0.000	0.000	0.000	0.000
630	A	630	ILE	0	-0.004	-0.008	78.213	0.000	0.000	0.000	0.000	0.000	0.000
631	A	631	LEU	0	-0.011	-0.018	79.199	0.000	0.000	0.000	0.000	0.000	0.000
632	A	632	ARG	1	0.792	0.857	80.134	0.007	0.007	0.000	0.000	0.000	0.000
633	A	633	ALA	0	-0.033	-0.005	76.764	0.000	0.000	0.000	0.000	0.000	0.000
634	A	634	MET	0	-0.029	0.002	71.530	0.000	0.000	0.000	0.000	0.000	0.000
635	A	635	ARG	1	0.981	1.006	76.267	0.009	0.009	0.000	0.000	0.000	0.000
636	A	636	GLY	0	0.009	0.003	75.448	0.000	0.000	0.000	0.000	0.000	0.000
637	A	637	LEU	0	-0.056	-0.033	70.564	0.000	0.000	0.000	0.000	0.000	0.000
638	A	638	PRO	0	-0.001	0.018	70.769	0.000	0.000	0.000	0.000	0.000	0.000
639	A	639	VAL	0	-0.002	-0.015	73.109	0.000	0.000	0.000	0.000	0.000	0.000
640	A	640	THR	0	0.002	-0.005	72.405	0.000	0.000	0.000	0.000	0.000	0.000
641	A	641	ILE	0	-0.047	-0.019	74.747	0.000	0.000	0.000	0.000	0.000	0.000
642	A	642	ARG	1	0.857	0.949	74.466	0.009	0.009	0.000	0.000	0.000	0.000
643	A	643	LEU	0	0.007	0.010	77.557	0.000	0.000	0.000	0.000	0.000	0.000
644	A	644	LEU	0	0.017	-0.007	80.199	0.000	0.000	0.000	0.000	0.000	0.000
645	A	645	ASP	-1	-0.803	-0.893	77.099	-0.009	-0.009	0.000	0.000	0.000	0.000
646	A	646	PRO	0	0.045	0.030	80.160	0.000	0.000	0.000	0.000	0.000	0.000
647	A	647	PRO	0	0.052	0.031	81.484	0.000	0.000	0.000	0.000	0.000	0.000
648	A	648	LEU	0	0.011	-0.019	84.711	0.000	0.000	0.000	0.000	0.000	0.000
649	A	649	HIS	1	0.865	0.944	85.932	0.005	0.005	0.000	0.000	0.000	0.000
650	A	650	GLU	-1	-0.874	-0.933	81.446	-0.006	-0.006	0.000	0.000	0.000	0.000
651	A	651	PHE	0	-0.039	-0.021	84.855	0.000	0.000	0.000	0.000	0.000	0.000
652	A	652	VAL	0	-0.051	-0.015	88.798	0.000	0.000	0.000	0.000	0.000	0.000
653	A	653	PRO	0	-0.021	-0.014	89.835	0.000	0.000	0.000	0.000	0.000	0.000
654	A	654	HIS	0	0.009	-0.002	91.349	0.000	0.000	0.000	0.000	0.000	0.000
655	A	655	ASP	-1	-0.963	-0.975	93.389	-0.002	-0.002	0.000	0.000	0.000	0.000
656	A	656	ALA	0	0.018	0.011	95.362	0.000	0.000	0.000	0.000	0.000	0.000
657	A	657	ALA	0	0.047	0.073	97.232	0.000	0.000	0.000	0.000	0.000	0.000
658	A	658	ALA	0	-0.014	-0.022	99.029	0.000	0.000	0.000	0.000	0.000	0.000
659	A	659	GLN	0	-0.121	-0.092	97.188	0.000	0.000	0.000	0.000	0.000	0.000
660	A	660	PHE	0	0.036	0.005	99.843	0.000	0.000	0.000	0.000	0.000	0.000
661	A	661	GLU	-1	-0.802	-0.919	102.454	-0.003	-0.003	0.000	0.000	0.000	0.000
662	A	662	LEU	0	-0.048	-0.022	100.143	0.000	0.000	0.000	0.000	0.000	0.000
663	A	663	ALA	0	-0.039	0.015	103.549	0.000	0.000	0.000	0.000	0.000	0.000
664	A	664	GLN	0	0.032	0.010	104.558	0.000	0.000	0.000	0.000	0.000	0.000
665	A	665	LYS	1	0.908	0.955	107.237	0.005	0.005	0.000	0.000	0.000	0.000
666	A	666	LEU	0	0.041	0.010	109.452	0.000	0.000	0.000	0.000	0.000	0.000
667	A	667	GLY	0	-0.010	0.008	110.609	0.000	0.000	0.000	0.000	0.000	0.000
668	A	668	MET	0	-0.040	-0.046	104.630	0.000	0.000	0.000	0.000	0.000	0.000
669	A	669	PRO	0	0.036	0.047	106.245	0.000	0.000	0.000	0.000	0.000	0.000
670	A	670	ALA	0	0.091	0.036	102.272	0.000	0.000	0.000	0.000	0.000	0.000
671	A	671	GLU	-1	-0.866	-0.939	101.450	-0.003	-0.003	0.000	0.000	0.000	0.000
672	A	672	LYS	1	0.814	0.911	101.695	0.004	0.004	0.000	0.000	0.000	0.000
673	A	673	VAL	0	-0.005	0.017	97.581	0.000	0.000	0.000	0.000	0.000	0.000
674	A	674	ARG	1	0.931	0.920	97.091	0.003	0.003	0.000	0.000	0.000	0.000
675	A	675	ASN	0	0.067	0.068	96.938	0.000	0.000	0.000	0.000	0.000	0.000
676	A	676	ARG	1	0.972	0.943	94.505	0.005	0.005	0.000	0.000	0.000	0.000
677	A	677	VAL	0	-0.094	-0.022	92.211	0.000	0.000	0.000	0.000	0.000	0.000
678	A	678	ASN	0	0.030	0.005	91.564	0.000	0.000	0.000	0.000	0.000	0.000
679	A	679	ALA	0	-0.067	-0.035	92.690	0.000	0.000	0.000	0.000	0.000	0.000
680	A	680	LEU	0	-0.044	-0.025	89.917	0.000	0.000	0.000	0.000	0.000	0.000
681	A	681	HIS	0	-0.009	0.008	85.995	0.000	0.000	0.000	0.000	0.000	0.000
682	A	682	GLU	-1	-0.821	-0.908	83.721	-0.007	-0.007	0.000	0.000	0.000	0.000
683	A	683	LEU	0	-0.003	-0.005	82.406	0.000	0.000	0.000	0.000	0.000	0.000
684	A	684	ASN	0	0.024	0.011	77.753	0.000	0.000	0.000	0.000	0.000	0.000
685	A	685	PRO	0	0.055	0.013	79.642	0.000	0.000	0.000	0.000	0.000	0.000
686	A	686	MET	0	-0.011	0.015	72.373	0.000	0.000	0.000	0.000	0.000	0.000
687	A	687	LEU	0	-0.035	-0.022	74.072	0.000	0.000	0.000	0.000	0.000	0.000
688	A	688	GLY	0	0.028	0.031	78.159	0.000	0.000	0.000	0.000	0.000	0.000
689	A	689	HIS	0	-0.078	-0.051	81.635	-0.001	-0.001	0.000	0.000	0.000	0.000
690	A	690	ARG	1	0.872	0.903	78.459	0.008	0.008	0.000	0.000	0.000	0.000
691	A	691	GLY	0	0.025	0.008	79.791	0.000	0.000	0.000	0.000	0.000	0.000
692	A	692	CYS	0	-0.054	-0.019	79.825	0.000	0.000	0.000	0.000	0.000	0.000
693	A	693	ARG	1	0.925	0.959	77.323	0.009	0.009	0.000	0.000	0.000	0.000
694	A	694	LEU	0	0.006	0.000	83.808	0.000	0.000	0.000	0.000	0.000	0.000
695	A	695	GLY	0	-0.022	0.007	84.792	0.000	0.000	0.000	0.000	0.000	0.000
696	A	696	ILE	0	-0.034	-0.025	85.033	0.000	0.000	0.000	0.000	0.000	0.000
697	A	697	THR	0	-0.013	-0.001	87.767	0.000	0.000	0.000	0.000	0.000	0.000
698	A	698	TYR	0	-0.064	-0.031	89.644	0.000	0.000	0.000	0.000	0.000	0.000
699	A	699	PRO	0	0.051	0.042	89.265	0.000	0.000	0.000	0.000	0.000	0.000
700	A	700	GLU	-1	-0.869	-0.959	89.880	-0.007	-0.007	0.000	0.000	0.000	0.000
701	A	701	ILE	0	-0.006	0.003	87.919	0.000	0.000	0.000	0.000	0.000	0.000
702	A	702	TYR	0	0.029	-0.011	82.005	0.000	0.000	0.000	0.000	0.000	0.000
703	A	703	ASN	0	-0.022	-0.002	87.092	0.000	0.000	0.000	0.000	0.000	0.000
704	A	704	MET	0	-0.035	-0.008	89.548	0.000	0.000	0.000	0.000	0.000	0.000
705	A	705	GLN	0	0.039	0.018	83.632	0.000	0.000	0.000	0.000	0.000	0.000
706	A	706	VAL	0	0.028	0.009	84.369	0.000	0.000	0.000	0.000	0.000	0.000
707	A	707	ARG	1	0.839	0.906	86.648	0.007	0.007	0.000	0.000	0.000	0.000
708	A	708	ALA	0	-0.010	-0.008	87.823	0.000	0.000	0.000	0.000	0.000	0.000
709	A	709	ILE	0	-0.007	-0.001	82.126	0.000	0.000	0.000	0.000	0.000	0.000
710	A	710	ILE	0	0.040	0.003	83.786	0.000	0.000	0.000	0.000	0.000	0.000
711	A	711	GLU	-1	-0.794	-0.861	86.795	-0.008	-0.008	0.000	0.000	0.000	0.000
712	A	712	ALA	0	-0.009	-0.010	86.099	0.000	0.000	0.000	0.000	0.000	0.000
713	A	713	ALA	0	-0.045	-0.035	83.668	0.000	0.000	0.000	0.000	0.000	0.000
714	A	714	ILE	0	-0.011	-0.002	85.243	0.000	0.000	0.000	0.000	0.000	0.000
715	A	715	ALA	0	-0.015	-0.006	87.756	0.000	0.000	0.000	0.000	0.000	0.000
716	A	716	VAL	0	0.004	-0.009	82.612	0.000	0.000	0.000	0.000	0.000	0.000
717	A	717	SER	0	-0.037	-0.015	84.436	0.000	0.000	0.000	0.000	0.000	0.000
718	A	718	GLU	-1	-0.848	-0.896	85.454	-0.009	-0.009	0.000	0.000	0.000	0.000
719	A	719	GLU	-1	-0.801	-0.845	86.434	-0.008	-0.008	0.000	0.000	0.000	0.000
720	A	720	GLY	0	-0.035	-0.027	85.179	0.000	0.000	0.000	0.000	0.000	0.000
721	A	721	SER	0	-0.070	-0.022	80.960	0.000	0.000	0.000	0.000	0.000	0.000
722	A	722	SER	0	0.018	-0.004	79.056	0.000	0.000	0.000	0.000	0.000	0.000
723	A	723	VAL	0	0.002	-0.009	78.746	0.000	0.000	0.000	0.000	0.000	0.000
724	A	724	ILE	0	0.023	0.024	73.673	0.000	0.000	0.000	0.000	0.000	0.000
725	A	725	PRO	0	-0.026	0.000	76.909	0.000	0.000	0.000	0.000	0.000	0.000
726	A	726	GLU	-1	-0.772	-0.862	72.386	-0.014	-0.014	0.000	0.000	0.000	0.000
727	A	727	ILE	0	0.010	-0.004	76.726	0.000	0.000	0.000	0.000	0.000	0.000
728	A	728	MET	0	0.015	0.011	72.639	-0.001	-0.001	0.000	0.000	0.000	0.000
729	A	729	VAL	0	-0.035	-0.029	76.936	0.001	0.001	0.000	0.000	0.000	0.000
730	A	730	PRO	0	0.006	0.006	75.829	0.000	0.000	0.000	0.000	0.000	0.000
731	A	731	LEU	0	-0.018	-0.028	75.084	0.000	0.000	0.000	0.000	0.000	0.000
732	A	732	VAL	0	0.003	0.016	75.323	0.000	0.000	0.000	0.000	0.000	0.000
733	A	733	GLY	0	0.041	0.004	74.340	0.000	0.000	0.000	0.000	0.000	0.000
734	A	734	LYS	1	0.836	0.904	74.701	0.012	0.012	0.000	0.000	0.000	0.000
735	A	735	LYS	1	0.903	0.950	75.993	0.014	0.014	0.000	0.000	0.000	0.000
736	A	736	GLU	-1	-0.793	-0.898	77.333	-0.013	-0.013	0.000	0.000	0.000	0.000
737	A	737	GLU	-1	-0.803	-0.897	78.731	-0.010	-0.010	0.000	0.000	0.000	0.000
738	A	738	LEU	0	0.016	0.013	76.251	0.000	0.000	0.000	0.000	0.000	0.000
739	A	739	SER	0	-0.027	-0.033	80.065	0.000	0.000	0.000	0.000	0.000	0.000
740	A	740	LEU	0	0.002	0.018	81.977	0.000	0.000	0.000	0.000	0.000	0.000
741	A	741	ILE	0	0.079	0.033	82.348	0.000	0.000	0.000	0.000	0.000	0.000
742	A	742	ARG	1	0.804	0.873	77.666	0.013	0.013	0.000	0.000	0.000	0.000
743	A	743	GLU	-1	-0.947	-0.963	83.249	-0.011	-0.011	0.000	0.000	0.000	0.000
744	A	744	GLU	-1	-0.790	-0.874	86.493	-0.009	-0.009	0.000	0.000	0.000	0.000
745	A	745	VAL	0	-0.007	-0.008	82.964	0.000	0.000	0.000	0.000	0.000	0.000
746	A	746	VAL	0	-0.032	-0.032	84.026	0.000	0.000	0.000	0.000	0.000	0.000
747	A	747	LYS	1	0.849	0.937	86.541	0.009	0.009	0.000	0.000	0.000	0.000
748	A	748	THR	0	0.017	-0.009	88.923	0.000	0.000	0.000	0.000	0.000	0.000
749	A	749	ALA	0	0.007	0.000	86.247	0.000	0.000	0.000	0.000	0.000	0.000
750	A	750	GLU	-1	-0.746	-0.822	86.767	-0.011	-0.011	0.000	0.000	0.000	0.000
751	A	751	ALA	0	-0.018	0.024	89.890	0.000	0.000	0.000	0.000	0.000	0.000
752	A	752	VAL	0	-0.011	-0.004	90.472	0.000	0.000	0.000	0.000	0.000	0.000
753	A	753	ILE	0	-0.004	0.005	86.974	0.000	0.000	0.000	0.000	0.000	0.000
754	A	754	THR	0	-0.024	-0.024	91.046	0.000	0.000	0.000	0.000	0.000	0.000
755	A	755	LYS	1	0.908	0.959	94.209	0.008	0.008	0.000	0.000	0.000	0.000
756	A	756	SER	0	-0.063	-0.054	92.781	0.000	0.000	0.000	0.000	0.000	0.000
757	A	757	GLY	0	-0.030	0.005	94.916	0.000	0.000	0.000	0.000	0.000	0.000
758	A	758	LYS	1	0.831	0.900	90.705	0.009	0.009	0.000	0.000	0.000	0.000
759	A	759	ARG	1	0.853	0.907	84.083	0.012	0.012	0.000	0.000	0.000	0.000
760	A	760	VAL	0	0.035	0.005	83.056	0.000	0.000	0.000	0.000	0.000	0.000
761	A	761	HIS	0	-0.023	-0.011	80.029	0.000	0.000	0.000	0.000	0.000	0.000
762	A	762	TYR	0	-0.034	-0.039	79.944	0.000	0.000	0.000	0.000	0.000	0.000
763	A	763	THR	0	0.011	0.002	75.278	0.000	0.000	0.000	0.000	0.000	0.000
764	A	764	VAL	0	-0.009	-0.003	78.121	0.000	0.000	0.000	0.000	0.000	0.000
765	A	765	GLY	0	0.014	0.001	74.705	-0.001	-0.001	0.000	0.000	0.000	0.000
766	A	766	THR	0	-0.019	-0.005	72.569	0.001	0.001	0.000	0.000	0.000	0.000
767	A	767	MET	0	0.012	0.017	71.333	-0.001	-0.001	0.000	0.000	0.000	0.000
768	A	768	ILE	0	-0.052	-0.016	67.290	0.000	0.000	0.000	0.000	0.000	0.000
769	A	769	GLU	-1	-0.798	-0.918	68.327	-0.011	-0.011	0.000	0.000	0.000	0.000
770	A	770	VAL	0	0.039	0.035	69.699	0.000	0.000	0.000	0.000	0.000	0.000
771	A	771	PRO	0	0.103	0.036	67.296	-0.001	-0.001	0.000	0.000	0.000	0.000
772	A	772	ARG	1	0.864	0.919	68.240	0.013	0.013	0.000	0.000	0.000	0.000
773	A	773	ALA	0	0.027	0.007	70.692	0.000	0.000	0.000	0.000	0.000	0.000
774	A	774	ALA	0	0.004	0.008	65.213	-0.001	-0.001	0.000	0.000	0.000	0.000
775	A	775	VAL	0	0.058	0.026	65.591	-0.001	-0.001	0.000	0.000	0.000	0.000
776	A	776	THR	0	-0.050	-0.029	67.233	0.000	0.000	0.000	0.000	0.000	0.000
777	A	777	ALA	0	0.080	0.050	66.820	0.000	0.000	0.000	0.000	0.000	0.000
778	A	778	ASP	-1	-0.802	-0.882	68.089	-0.018	-0.018	0.000	0.000	0.000	0.000
779	A	779	SER	0	-0.065	-0.037	69.577	0.000	0.000	0.000	0.000	0.000	0.000
780	A	780	ILE	0	-0.014	-0.008	71.983	0.000	0.000	0.000	0.000	0.000	0.000
781	A	781	ALA	0	0.071	0.049	70.103	0.000	0.000	0.000	0.000	0.000	0.000
782	A	782	GLN	0	-0.035	-0.016	72.172	0.001	0.001	0.000	0.000	0.000	0.000
783	A	783	LYS	1	0.918	0.958	75.227	0.013	0.013	0.000	0.000	0.000	0.000
784	A	784	ALA	0	-0.005	0.029	73.204	0.001	0.001	0.000	0.000	0.000	0.000
785	A	785	ASP	-1	-0.765	-0.870	73.930	-0.014	-0.014	0.000	0.000	0.000	0.000
786	A	786	PHE	0	-0.038	-0.031	70.258	0.000	0.000	0.000	0.000	0.000	0.000
787	A	787	PHE	0	-0.022	-0.018	66.684	0.000	0.000	0.000	0.000	0.000	0.000
788	A	788	SER	0	0.030	0.027	67.878	0.000	0.000	0.000	0.000	0.000	0.000
789	A	789	PHE	0	0.036	-0.010	64.433	0.000	0.000	0.000	0.000	0.000	0.000
790	A	790	GLY	0	0.043	0.016	66.392	0.000	0.000	0.000	0.000	0.000	0.000
791	A	791	THR	0	-0.026	-0.056	62.117	0.000	0.000	0.000	0.000	0.000	0.000
792	A	792	ASN	0	0.007	0.032	64.770	0.000	0.000	0.000	0.000	0.000	0.000
793	A	793	ASP	-1	-0.778	-0.889	66.811	-0.009	-0.009	0.000	0.000	0.000	0.000
794	A	794	LEU	0	-0.051	-0.024	64.548	0.000	0.000	0.000	0.000	0.000	0.000
795	A	795	THR	0	-0.027	-0.042	62.823	-0.001	-0.001	0.000	0.000	0.000	0.000
796	A	796	GLN	0	0.004	0.015	65.087	0.001	0.001	0.000	0.000	0.000	0.000
797	A	797	MET	0	-0.059	-0.024	68.045	0.000	0.000	0.000	0.000	0.000	0.000
798	A	798	GLY	0	-0.041	-0.021	65.111	0.000	0.000	0.000	0.000	0.000	0.000
799	A	799	CYS	0	-0.045	-0.020	62.146	0.000	0.000	0.000	0.000	0.000	0.000
800	A	800	GLY	0	-0.017	0.016	64.830	0.000	0.000	0.000	0.000	0.000	0.000
801	A	801	PHE	0	-0.073	-0.048	62.174	0.001	0.001	0.000	0.000	0.000	0.000
802	A	802	SER	0	0.009	-0.026	68.141	0.000	0.000	0.000	0.000	0.000	0.000
803	A	803	ARG	1	0.881	0.910	65.104	0.008	0.008	0.000	0.000	0.000	0.000
804	A	804	ASP	-1	-0.957	-0.980	69.347	-0.005	-0.005	0.000	0.000	0.000	0.000
805	A	805	ASP	-1	-0.862	-0.914	71.448	-0.005	-0.005	0.000	0.000	0.000	0.000
806	A	806	ALA	0	-0.035	-0.024	66.211	0.000	0.000	0.000	0.000	0.000	0.000
807	A	807	GLY	0	-0.030	-0.025	66.341	0.000	0.000	0.000	0.000	0.000	0.000
808	A	808	PRO	0	-0.031	-0.036	66.273	0.000	0.000	0.000	0.000	0.000	0.000
809	A	809	PHE	0	0.040	0.032	64.135	0.000	0.000	0.000	0.000	0.000	0.000
810	A	810	LEU	0	0.037	0.040	61.141	0.000	0.000	0.000	0.000	0.000	0.000
811	A	811	ARG	1	0.910	0.955	60.688	0.003	0.003	0.000	0.000	0.000	0.000
812	A	812	HIS	0	0.027	0.011	59.580	0.000	0.000	0.000	0.000	0.000	0.000
813	A	813	TYR	0	0.013	-0.011	58.463	0.000	0.000	0.000	0.000	0.000	0.000
814	A	814	GLY	0	0.011	0.010	56.185	0.000	0.000	0.000	0.000	0.000	0.000
815	A	815	ASN	0	-0.057	-0.022	54.513	0.000	0.000	0.000	0.000	0.000	0.000
816	A	816	LEU	0	-0.058	-0.021	53.370	0.000	0.000	0.000	0.000	0.000	0.000
817	A	817	GLY	0	0.002	0.015	52.070	0.000	0.000	0.000	0.000	0.000	0.000
818	A	818	ILE	0	-0.031	-0.009	52.601	-0.001	-0.001	0.000	0.000	0.000	0.000
819	A	819	TYR	0	0.022	0.002	53.874	-0.001	-0.001	0.000	0.000	0.000	0.000
820	A	820	ALA	0	-0.021	-0.014	50.882	0.001	0.001	0.000	0.000	0.000	0.000
821	A	821	GLN	0	-0.006	-0.020	52.563	0.001	0.001	0.000	0.000	0.000	0.000
822	A	822	ASP	-1	-0.801	-0.903	55.468	-0.008	-0.008	0.000	0.000	0.000	0.000
823	A	823	PRO	0	0.036	0.040	58.670	0.000	0.000	0.000	0.000	0.000	0.000
824	A	824	PHE	0	-0.040	-0.025	59.594	-0.001	-0.001	0.000	0.000	0.000	0.000
825	A	825	GLN	0	-0.106	-0.059	58.704	0.001	0.001	0.000	0.000	0.000	0.000
826	A	826	SER	0	-0.090	-0.072	55.092	-0.001	-0.001	0.000	0.000	0.000	0.000
827	A	827	ILE	0	-0.031	-0.015	55.942	0.000	0.000	0.000	0.000	0.000	0.000
828	A	828	ASP	-1	-0.758	-0.884	55.648	-0.015	-0.015	0.000	0.000	0.000	0.000
829	A	829	GLN	0	-0.052	-0.043	51.306	-0.002	-0.002	0.000	0.000	0.000	0.000
830	A	830	GLU	-1	-0.950	-0.960	52.671	-0.018	-0.018	0.000	0.000	0.000	0.000
831	A	831	GLY	0	0.049	0.026	54.153	-0.001	-0.001	0.000	0.000	0.000	0.000
832	A	832	ILE	0	-0.092	-0.049	57.945	-0.001	-0.001	0.000	0.000	0.000	0.000
833	A	833	GLY	0	0.037	0.007	57.041	0.000	0.000	0.000	0.000	0.000	0.000
834	A	834	GLU	-1	-0.768	-0.851	55.677	-0.024	-0.024	0.000	0.000	0.000	0.000
835	A	835	LEU	0	-0.016	-0.008	58.067	0.000	0.000	0.000	0.000	0.000	0.000
836	A	836	VAL	0	-0.004	-0.007	59.864	0.000	0.000	0.000	0.000	0.000	0.000
837	A	837	ARG	1	0.858	0.920	52.770	0.025	0.025	0.000	0.000	0.000	0.000
838	A	838	ILE	0	-0.041	-0.040	58.839	0.000	0.000	0.000	0.000	0.000	0.000
839	A	839	ALA	0	-0.012	-0.013	61.456	0.000	0.000	0.000	0.000	0.000	0.000
840	A	840	VAL	0	-0.020	-0.017	59.996	0.000	0.000	0.000	0.000	0.000	0.000
841	A	841	THR	0	-0.013	-0.003	58.442	0.000	0.000	0.000	0.000	0.000	0.000
842	A	842	LYS	1	0.841	0.914	61.563	0.019	0.019	0.000	0.000	0.000	0.000
843	A	843	GLY	0	0.009	-0.007	64.952	0.000	0.000	0.000	0.000	0.000	0.000
844	A	844	ARG	1	0.822	0.881	61.151	0.021	0.021	0.000	0.000	0.000	0.000
845	A	845	ARG	1	0.894	0.950	64.279	0.020	0.020	0.000	0.000	0.000	0.000
846	A	846	VAL	0	-0.078	-0.029	65.426	0.000	0.000	0.000	0.000	0.000	0.000
847	A	847	LYS	1	0.855	0.938	69.031	0.016	0.016	0.000	0.000	0.000	0.000
848	A	848	PRO	0	0.070	0.036	64.676	0.000	0.000	0.000	0.000	0.000	0.000
849	A	849	MET	0	-0.024	-0.017	64.370	-0.001	-0.001	0.000	0.000	0.000	0.000
850	A	850	LEU	0	-0.033	0.002	66.809	0.001	0.001	0.000	0.000	0.000	0.000
851	A	851	LYS	1	0.874	0.942	64.994	0.018	0.018	0.000	0.000	0.000	0.000
852	A	852	MET	0	-0.043	-0.003	63.835	0.000	0.000	0.000	0.000	0.000	0.000
853	A	853	GLY	0	0.064	0.038	64.172	-0.001	-0.001	0.000	0.000	0.000	0.000
854	A	854	ILE	0	-0.008	0.008	60.926	0.000	0.000	0.000	0.000	0.000	0.000
855	A	855	CYS	0	-0.040	-0.019	64.562	0.000	0.000	0.000	0.000	0.000	0.000
856	A	856	GLY	0	0.055	0.030	65.807	0.000	0.000	0.000	0.000	0.000	0.000
857	A	857	GLU	-1	-0.803	-0.876	63.506	-0.008	-0.008	0.000	0.000	0.000	0.000
858	A	858	HIS	0	0.058	0.035	59.724	0.000	0.000	0.000	0.000	0.000	0.000
859	A	859	GLY	0	-0.019	0.005	59.948	-0.001	-0.001	0.000	0.000	0.000	0.000
860	A	860	GLY	0	0.009	-0.021	60.633	0.000	0.000	0.000	0.000	0.000	0.000
861	A	861	ASP	-1	-0.723	-0.827	55.483	-0.013	-0.013	0.000	0.000	0.000	0.000
862	A	862	PRO	0	-0.009	-0.001	52.813	-0.001	-0.001	0.000	0.000	0.000	0.000
863	A	863	ALA	0	0.017	0.016	51.623	-0.001	-0.001	0.000	0.000	0.000	0.000
864	A	864	THR	0	0.013	-0.004	52.570	-0.001	-0.001	0.000	0.000	0.000	0.000
865	A	865	ILE	0	0.009	0.017	55.435	-0.001	-0.001	0.000	0.000	0.000	0.000
866	A	866	GLY	0	-0.031	-0.019	51.761	-0.001	-0.001	0.000	0.000	0.000	0.000
867	A	867	PHE	0	0.011	0.009	52.444	-0.001	-0.001	0.000	0.000	0.000	0.000
868	A	868	CYS	0	-0.017	-0.028	53.640	-0.001	-0.001	0.000	0.000	0.000	0.000
869	A	869	HIS	0	-0.037	-0.003	51.465	0.000	0.000	0.000	0.000	0.000	0.000
870	A	870	LYS	1	0.860	0.904	46.633	0.030	0.030	0.000	0.000	0.000	0.000
871	A	871	VAL	0	-0.003	0.007	52.654	-0.001	-0.001	0.000	0.000	0.000	0.000
872	A	872	GLY	0	0.014	0.014	55.760	0.000	0.000	0.000	0.000	0.000	0.000
873	A	873	LEU	0	-0.038	-0.008	57.697	0.000	0.000	0.000	0.000	0.000	0.000
874	A	874	ASP	-1	-0.779	-0.877	59.737	-0.020	-0.020	0.000	0.000	0.000	0.000
875	A	875	TYR	0	-0.044	-0.025	61.873	0.000	0.000	0.000	0.000	0.000	0.000
876	A	876	VAL	0	0.028	0.018	59.246	0.000	0.000	0.000	0.000	0.000	0.000
877	A	877	SER	0	0.012	0.002	62.678	0.000	0.000	0.000	0.000	0.000	0.000
878	A	878	CYS	0	0.004	0.008	62.987	0.000	0.000	0.000	0.000	0.000	0.000
879	A	879	SER	0	0.066	0.044	65.107	0.000	0.000	0.000	0.000	0.000	0.000
880	A	880	PRO	0	0.103	0.025	65.613	0.000	0.000	0.000	0.000	0.000	0.000
881	A	881	PHE	0	-0.034	-0.025	65.087	0.000	0.000	0.000	0.000	0.000	0.000
882	A	882	ARG	1	0.794	0.908	57.234	0.010	0.010	0.000	0.000	0.000	0.000
883	A	883	VAL	0	0.026	0.021	60.900	-0.001	-0.001	0.000	0.000	0.000	0.000
884	A	884	PRO	0	0.030	0.017	60.234	-0.001	-0.001	0.000	0.000	0.000	0.000
885	A	885	VAL	0	0.046	0.026	55.949	-0.001	-0.001	0.000	0.000	0.000	0.000
886	A	886	ALA	0	0.008	-0.001	56.320	-0.001	-0.001	0.000	0.000	0.000	0.000
887	A	887	ILE	0	0.013	-0.005	57.058	-0.001	-0.001	0.000	0.000	0.000	0.000
888	A	888	VAL	0	0.017	-0.006	52.461	-0.001	-0.001	0.000	0.000	0.000	0.000
889	A	889	ALA	0	0.012	0.001	52.615	-0.001	-0.001	0.000	0.000	0.000	0.000
890	A	890	ALA	0	0.000	0.006	52.712	-0.001	-0.001	0.000	0.000	0.000	0.000
891	A	891	ALA	0	0.025	0.022	53.167	-0.002	-0.002	0.000	0.000	0.000	0.000
892	A	892	HIS	0	0.012	0.026	47.212	-0.003	-0.003	0.000	0.000	0.000	0.000
893	A	893	ALA	0	-0.038	-0.015	48.696	-0.002	-0.002	0.000	0.000	0.000	0.000
894	A	894	SER	0	-0.041	-0.040	49.395	-0.002	-0.002	0.000	0.000	0.000	0.000
895	A	895	ILE	0	-0.043	-0.026	46.194	-0.002	-0.002	0.000	0.000	0.000	0.000
896	A	896	LYS	1	0.836	0.911	44.536	0.022	0.022	0.000	0.000	0.000	0.000
897	A	897	ASP	-1	-0.809	-0.893	44.769	-0.033	-0.033	0.000	0.000	0.000	0.000
898	A	898	ARG	1	0.861	0.918	46.193	0.027	0.027	0.000	0.000	0.000	0.000
899	A	899	ARG	1	0.863	0.917	40.992	0.031	0.031	0.000	0.000	0.000	0.000
900	A	900	ALA	0	-0.026	0.002	41.674	-0.003	-0.003	0.000	0.000	0.000	0.000
901	A	901	ALA	0	-0.003	-0.002	42.301	-0.003	-0.003	0.000	0.000	0.000	0.000
902	A	902	MET	0	-0.020	-0.002	42.186	-0.001	-0.001	0.000	0.000	0.000	0.000
903	A	903	LYS	1	0.859	0.933	37.017	0.046	0.046	0.000	0.000	0.000	0.000

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