FMO DATABASE

FMODB ID: 6NNLZ

Calculation Name: 3ZKV-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 3ZKV

Chain ID: A

ChEMBL ID:

UniProt ID: Q9VEC5

Base Structure: X-ray

Registration Date: 2023-06-21

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptHSide
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	892
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-23339667.704151
FMO2-HF: Nuclear repulsion	22971425.820492
FMO2-HF: Total energy	-368241.883658
FMO2-MP2: Total energy	-369280.794909

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:54:GLN)

Summations of interaction energy for fragment #1(A:54:GLN)

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.
-13.643	-11.557	8.864	-5.056	-5.893	-0.018

Interaction energy analysis for fragmet #1(A:54:GLN)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.008 / 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	A	56	VAL	0	0.015	0.001	3.140	-4.276	-1.052	0.309	-1.640	-1.893	0.012
4	A	57	GLN	0	0.015	0.013	1.967	-5.579	-6.864	8.556	-3.400	-3.871	-0.030
5	A	58	PHE	0	0.006	0.000	4.663	-0.518	-0.371	-0.001	-0.016	-0.129	0.000
6	A	59	PHE	0	0.060	0.029	7.306	-0.120	-0.120	0.000	0.000	0.000	0.000
7	A	60	GLY	0	0.036	0.037	7.660	-0.205	-0.205	0.000	0.000	0.000	0.000
8	A	61	ALA	0	0.006	-0.006	8.869	-0.225	-0.225	0.000	0.000	0.000	0.000
9	A	62	ILE	0	-0.018	-0.012	10.863	-0.160	-0.160	0.000	0.000	0.000	0.000
10	A	63	THR	0	-0.028	-0.023	12.139	-0.128	-0.128	0.000	0.000	0.000	0.000
11	A	64	LEU	0	-0.009	-0.003	13.292	-0.076	-0.076	0.000	0.000	0.000	0.000
12	A	65	HIS	0	-0.009	0.004	14.986	-0.063	-0.063	0.000	0.000	0.000	0.000
13	A	66	SER	0	-0.001	-0.013	16.793	-0.080	-0.080	0.000	0.000	0.000	0.000
14	A	67	LYS	1	0.812	0.900	17.881	-0.405	-0.405	0.000	0.000	0.000	0.000
15	A	68	LEU	0	-0.014	0.002	19.168	-0.030	-0.030	0.000	0.000	0.000	0.000
16	A	69	MET	0	-0.006	-0.002	21.024	-0.031	-0.031	0.000	0.000	0.000	0.000
17	A	70	LYS	1	0.840	0.902	20.404	-0.238	-0.238	0.000	0.000	0.000	0.000
18	A	71	HIS	0	-0.018	-0.010	22.679	-0.002	-0.002	0.000	0.000	0.000	0.000
19	A	72	TRP	0	0.071	0.038	24.738	0.030	0.030	0.000	0.000	0.000	0.000
20	A	73	HIS	0	0.023	0.009	26.649	0.000	0.000	0.000	0.000	0.000	0.000
21	A	74	GLU	-1	-0.902	-0.932	23.673	0.331	0.331	0.000	0.000	0.000	0.000
22	A	75	VAL	0	-0.026	-0.016	23.477	0.016	0.016	0.000	0.000	0.000	0.000
23	A	76	PRO	0	0.002	0.023	26.889	-0.016	-0.016	0.000	0.000	0.000	0.000
24	A	99	LYS	1	0.944	0.958	7.095	0.271	0.271	0.000	0.000	0.000	0.000
25	A	100	ILE	0	0.067	0.030	7.540	0.198	0.198	0.000	0.000	0.000	0.000
26	A	101	VAL	0	0.026	0.003	6.113	0.046	0.046	0.000	0.000	0.000	0.000
27	A	102	LEU	0	0.018	0.014	9.300	0.032	0.032	0.000	0.000	0.000	0.000
28	A	103	ASN	0	0.082	0.048	11.981	0.003	0.003	0.000	0.000	0.000	0.000
29	A	104	ARG	1	0.897	0.947	12.085	-0.151	-0.151	0.000	0.000	0.000	0.000
30	A	105	LEU	0	0.011	0.014	12.726	0.001	0.001	0.000	0.000	0.000	0.000
31	A	106	CYS	0	-0.017	-0.005	14.522	-0.030	-0.030	0.000	0.000	0.000	0.000
32	A	107	ILE	0	0.027	0.004	16.758	-0.026	-0.026	0.000	0.000	0.000	0.000
33	A	108	SER	0	-0.046	-0.034	16.200	-0.006	-0.006	0.000	0.000	0.000	0.000
34	A	109	LEU	0	-0.014	-0.002	18.658	-0.011	-0.011	0.000	0.000	0.000	0.000
35	A	110	GLY	0	0.036	0.015	20.520	-0.023	-0.023	0.000	0.000	0.000	0.000
36	A	111	ALA	0	0.020	0.004	22.048	-0.018	-0.018	0.000	0.000	0.000	0.000
37	A	112	TYR	0	-0.025	-0.014	22.379	-0.006	-0.006	0.000	0.000	0.000	0.000
38	A	113	ILE	0	-0.032	-0.023	24.179	-0.014	-0.014	0.000	0.000	0.000	0.000
39	A	114	VAL	0	-0.060	-0.022	26.302	-0.019	-0.019	0.000	0.000	0.000	0.000
40	A	115	HIS	0	-0.020	-0.011	25.336	-0.026	-0.026	0.000	0.000	0.000	0.000
41	A	116	MET	0	-0.076	-0.007	28.499	0.000	0.000	0.000	0.000	0.000	0.000
42	A	117	LEU	0	0.012	-0.002	31.052	-0.011	-0.011	0.000	0.000	0.000	0.000
43	A	118	GLY	0	0.021	0.012	34.635	-0.011	-0.011	0.000	0.000	0.000	0.000
44	A	119	GLU	-1	-0.812	-0.918	31.552	0.162	0.162	0.000	0.000	0.000	0.000
45	A	120	TRP	0	0.081	-0.010	33.742	-0.008	-0.008	0.000	0.000	0.000	0.000
46	A	121	PRO	0	-0.032	0.009	35.262	-0.010	-0.010	0.000	0.000	0.000	0.000
47	A	122	GLY	0	-0.026	-0.013	35.372	-0.006	-0.006	0.000	0.000	0.000	0.000
48	A	123	ALA	0	0.031	0.014	30.084	0.001	0.001	0.000	0.000	0.000	0.000
49	A	124	ILE	0	-0.010	-0.012	29.562	0.008	0.008	0.000	0.000	0.000	0.000
50	A	125	GLU	-1	-0.831	-0.908	30.542	0.080	0.080	0.000	0.000	0.000	0.000
51	A	126	GLU	-1	-0.875	-0.931	30.939	0.169	0.169	0.000	0.000	0.000	0.000
52	A	127	VAL	0	-0.030	-0.017	25.347	0.009	0.009	0.000	0.000	0.000	0.000
53	A	128	ILE	0	0.027	0.006	27.239	0.006	0.006	0.000	0.000	0.000	0.000
54	A	129	ASN	0	-0.045	-0.035	28.805	-0.009	-0.009	0.000	0.000	0.000	0.000
55	A	130	THR	0	-0.040	-0.022	25.712	0.001	0.001	0.000	0.000	0.000	0.000
56	A	131	PHE	0	-0.046	-0.031	20.448	0.015	0.015	0.000	0.000	0.000	0.000
57	A	132	GLN	0	0.021	0.016	25.294	-0.005	-0.005	0.000	0.000	0.000	0.000
58	A	133	ASN	0	-0.034	-0.010	27.815	0.002	0.002	0.000	0.000	0.000	0.000
59	A	134	GLN	0	0.025	-0.010	24.085	0.012	0.012	0.000	0.000	0.000	0.000
60	A	135	ARG	1	0.882	0.947	25.585	-0.196	-0.196	0.000	0.000	0.000	0.000
61	A	136	MET	0	0.026	0.019	20.639	0.012	0.012	0.000	0.000	0.000	0.000
62	A	137	PRO	0	-0.033	-0.035	20.357	0.008	0.008	0.000	0.000	0.000	0.000
63	A	138	ASN	0	-0.014	0.008	21.226	-0.038	-0.038	0.000	0.000	0.000	0.000
64	A	139	VAL	0	-0.014	-0.004	15.123	0.008	0.008	0.000	0.000	0.000	0.000
65	A	140	SER	0	0.001	0.015	16.556	-0.020	-0.020	0.000	0.000	0.000	0.000
66	A	141	ALA	0	0.029	0.019	19.202	0.018	0.018	0.000	0.000	0.000	0.000
67	A	142	ASP	-1	-0.799	-0.900	19.973	-0.023	-0.023	0.000	0.000	0.000	0.000
68	A	143	VAL	0	0.014	0.010	14.674	-0.011	-0.011	0.000	0.000	0.000	0.000
69	A	144	GLN	0	0.011	0.008	17.517	0.026	0.026	0.000	0.000	0.000	0.000
70	A	145	LEU	0	0.001	0.002	20.042	0.011	0.011	0.000	0.000	0.000	0.000
71	A	146	TRP	0	0.015	0.011	13.163	0.018	0.018	0.000	0.000	0.000	0.000
72	A	147	ILE	0	-0.031	-0.030	15.502	0.009	0.009	0.000	0.000	0.000	0.000
73	A	148	MET	0	-0.038	-0.008	18.787	-0.001	-0.001	0.000	0.000	0.000	0.000
74	A	149	LEU	0	0.019	0.008	21.672	-0.001	-0.001	0.000	0.000	0.000	0.000
75	A	150	GLU	-1	-0.775	-0.890	17.163	-0.081	-0.081	0.000	0.000	0.000	0.000
76	A	151	VAL	0	-0.049	-0.016	20.413	0.006	0.006	0.000	0.000	0.000	0.000
77	A	152	LEU	0	-0.004	-0.013	22.388	-0.006	-0.006	0.000	0.000	0.000	0.000
78	A	153	THR	0	-0.014	-0.036	22.684	-0.021	-0.021	0.000	0.000	0.000	0.000
79	A	154	ALA	0	-0.011	-0.005	21.273	-0.013	-0.013	0.000	0.000	0.000	0.000
80	A	155	ILE	0	-0.024	-0.005	23.378	0.004	0.004	0.000	0.000	0.000	0.000
81	A	156	PRO	0	0.003	0.011	26.384	0.003	0.003	0.000	0.000	0.000	0.000
82	A	157	GLU	-1	-0.756	-0.859	25.256	-0.033	-0.033	0.000	0.000	0.000	0.000
83	A	158	GLU	-1	-0.808	-0.898	22.115	0.165	0.165	0.000	0.000	0.000	0.000
84	A	159	ALA	0	0.048	0.023	26.043	0.004	0.004	0.000	0.000	0.000	0.000
85	A	160	GLN	0	-0.072	-0.027	29.248	-0.002	-0.002	0.000	0.000	0.000	0.000
86	A	161	VAL	0	-0.043	-0.025	25.250	-0.007	-0.007	0.000	0.000	0.000	0.000
87	A	162	ILE	0	-0.057	0.015	25.341	0.011	0.011	0.000	0.000	0.000	0.000
88	A	163	HIS	0	-0.005	0.003	26.343	-0.020	-0.020	0.000	0.000	0.000	0.000
89	A	164	THR	0	0.004	-0.001	29.567	0.013	0.013	0.000	0.000	0.000	0.000
90	A	165	SER	0	0.033	0.021	31.529	-0.003	-0.003	0.000	0.000	0.000	0.000
91	A	166	VAL	0	-0.012	0.008	34.320	-0.009	-0.009	0.000	0.000	0.000	0.000
92	A	167	LYS	1	0.974	0.979	36.193	-0.058	-0.058	0.000	0.000	0.000	0.000
93	A	168	ARG	1	0.915	0.927	30.829	-0.083	-0.083	0.000	0.000	0.000	0.000
94	A	169	VAL	0	-0.015	-0.015	36.776	0.000	0.000	0.000	0.000	0.000	0.000
95	A	170	VAL	0	-0.009	0.002	39.439	-0.004	-0.004	0.000	0.000	0.000	0.000
96	A	171	LEU	0	0.103	0.069	31.496	-0.001	-0.001	0.000	0.000	0.000	0.000
97	A	172	ARG	1	0.899	0.935	34.709	-0.022	-0.022	0.000	0.000	0.000	0.000
98	A	173	ALA	0	-0.016	-0.009	36.551	-0.003	-0.003	0.000	0.000	0.000	0.000
99	A	174	GLU	-1	-0.873	-0.941	36.720	0.092	0.092	0.000	0.000	0.000	0.000
100	A	175	ILE	0	-0.003	0.001	31.609	0.001	0.001	0.000	0.000	0.000	0.000
101	A	176	ALA	0	0.016	0.007	35.338	-0.004	-0.004	0.000	0.000	0.000	0.000
102	A	177	LYS	1	0.792	0.930	38.249	-0.087	-0.087	0.000	0.000	0.000	0.000
103	A	178	ARG	1	0.813	0.881	34.308	-0.082	-0.082	0.000	0.000	0.000	0.000
104	A	179	VAL	0	0.056	0.040	34.690	-0.001	-0.001	0.000	0.000	0.000	0.000
105	A	180	GLN	0	0.015	0.012	35.584	-0.001	-0.001	0.000	0.000	0.000	0.000
106	A	181	LEU	0	0.012	0.020	34.111	-0.005	-0.005	0.000	0.000	0.000	0.000
107	A	182	VAL	0	-0.025	-0.011	30.251	0.000	0.000	0.000	0.000	0.000	0.000
108	A	183	ILE	0	0.054	0.021	32.496	-0.005	-0.005	0.000	0.000	0.000	0.000
109	A	184	HIS	0	0.041	0.011	34.615	-0.003	-0.003	0.000	0.000	0.000	0.000
110	A	185	THR	0	-0.093	-0.049	30.216	0.000	0.000	0.000	0.000	0.000	0.000
111	A	186	VAL	0	0.014	0.005	28.666	-0.002	-0.002	0.000	0.000	0.000	0.000
112	A	187	GLU	-1	-0.773	-0.866	31.038	-0.025	-0.025	0.000	0.000	0.000	0.000
113	A	188	ARG	1	0.908	0.946	34.195	-0.042	-0.042	0.000	0.000	0.000	0.000
114	A	189	TYR	0	-0.012	-0.006	25.490	-0.005	-0.005	0.000	0.000	0.000	0.000
115	A	190	LEU	0	0.041	0.016	29.047	-0.007	-0.007	0.000	0.000	0.000	0.000
116	A	191	LYS	1	0.854	0.928	31.607	0.015	0.015	0.000	0.000	0.000	0.000
117	A	192	LEU	0	-0.039	-0.012	30.857	-0.002	-0.002	0.000	0.000	0.000	0.000
118	A	193	GLN	0	0.055	0.027	25.352	0.013	0.013	0.000	0.000	0.000	0.000
119	A	194	MET	0	0.027	0.049	30.452	-0.016	-0.016	0.000	0.000	0.000	0.000
120	A	195	ASN	0	-0.086	-0.050	33.125	-0.007	-0.007	0.000	0.000	0.000	0.000
121	A	196	ARG	1	0.856	0.929	26.131	0.023	0.023	0.000	0.000	0.000	0.000
122	A	197	VAL	0	0.025	0.015	28.393	-0.005	-0.005	0.000	0.000	0.000	0.000
123	A	198	TRP	0	-0.007	-0.036	26.730	0.007	0.007	0.000	0.000	0.000	0.000
124	A	199	ASP	-1	-0.826	-0.899	21.576	-0.172	-0.172	0.000	0.000	0.000	0.000
125	A	200	ALA	0	0.074	0.020	19.200	0.005	0.005	0.000	0.000	0.000	0.000
126	A	201	GLU	-1	-0.872	-0.931	15.460	-0.283	-0.283	0.000	0.000	0.000	0.000
127	A	202	ALA	0	-0.027	-0.015	19.434	0.026	0.026	0.000	0.000	0.000	0.000
128	A	203	TYR	0	0.036	0.022	22.478	0.022	0.022	0.000	0.000	0.000	0.000
129	A	204	SER	0	-0.011	0.000	17.372	0.010	0.010	0.000	0.000	0.000	0.000
130	A	205	ASN	0	-0.026	-0.045	20.322	0.026	0.026	0.000	0.000	0.000	0.000
131	A	206	MET	0	-0.001	0.006	22.045	0.021	0.021	0.000	0.000	0.000	0.000
132	A	207	ASN	0	0.005	0.010	22.168	0.040	0.040	0.000	0.000	0.000	0.000
133	A	208	ARG	1	0.793	0.894	17.473	0.298	0.298	0.000	0.000	0.000	0.000
134	A	209	ALA	0	0.028	0.012	22.898	0.023	0.023	0.000	0.000	0.000	0.000
135	A	210	VAL	0	0.010	-0.001	26.163	0.015	0.015	0.000	0.000	0.000	0.000
136	A	211	LYS	1	0.872	0.967	20.721	0.083	0.083	0.000	0.000	0.000	0.000
137	A	212	CYS	0	-0.110	-0.026	25.472	0.018	0.018	0.000	0.000	0.000	0.000
138	A	213	VAL	0	0.030	-0.002	26.982	0.013	0.013	0.000	0.000	0.000	0.000
139	A	214	GLY	0	0.082	0.048	29.876	0.005	0.005	0.000	0.000	0.000	0.000
140	A	215	THR	0	-0.084	-0.074	26.500	0.008	0.008	0.000	0.000	0.000	0.000
141	A	216	TRP	0	-0.045	-0.051	28.379	0.014	0.014	0.000	0.000	0.000	0.000
142	A	217	ILE	0	-0.036	-0.010	31.605	0.008	0.008	0.000	0.000	0.000	0.000
143	A	218	LYS	1	0.822	0.912	28.606	0.045	0.045	0.000	0.000	0.000	0.000
144	A	219	ASN	0	-0.050	-0.024	29.100	-0.007	-0.007	0.000	0.000	0.000	0.000
145	A	220	ILE	0	-0.074	-0.045	33.210	0.010	0.010	0.000	0.000	0.000	0.000
146	A	221	GLY	0	0.020	0.028	36.069	-0.005	-0.005	0.000	0.000	0.000	0.000
147	A	222	TYR	0	0.015	-0.012	38.148	0.008	0.008	0.000	0.000	0.000	0.000
148	A	223	THR	0	-0.016	0.001	40.143	-0.003	-0.003	0.000	0.000	0.000	0.000
149	A	224	ILE	0	0.115	0.039	42.319	0.000	0.000	0.000	0.000	0.000	0.000
150	A	225	GLU	-1	-0.844	-0.919	43.621	-0.013	-0.013	0.000	0.000	0.000	0.000
151	A	226	GLY	0	-0.043	-0.009	42.315	-0.001	-0.001	0.000	0.000	0.000	0.000
152	A	227	CYS	0	-0.016	-0.003	38.152	0.000	0.000	0.000	0.000	0.000	0.000
153	A	228	VAL	0	0.021	0.035	40.250	-0.007	-0.007	0.000	0.000	0.000	0.000
154	A	229	THR	0	-0.007	-0.012	40.180	-0.005	-0.005	0.000	0.000	0.000	0.000
155	A	230	ILE	0	-0.001	0.004	33.525	-0.005	-0.005	0.000	0.000	0.000	0.000
156	A	231	THR	0	-0.002	-0.016	36.817	-0.009	-0.009	0.000	0.000	0.000	0.000
157	A	232	ALA	0	0.005	0.000	38.623	-0.007	-0.007	0.000	0.000	0.000	0.000
158	A	233	VAL	0	-0.010	-0.009	34.521	-0.004	-0.004	0.000	0.000	0.000	0.000
159	A	234	LEU	0	-0.018	-0.012	32.217	-0.008	-0.008	0.000	0.000	0.000	0.000
160	A	235	LEU	0	0.025	0.014	35.070	-0.010	-0.010	0.000	0.000	0.000	0.000
161	A	236	GLU	-1	-0.920	-0.959	37.075	-0.062	-0.062	0.000	0.000	0.000	0.000
162	A	237	VAL	0	-0.068	-0.039	30.602	-0.007	-0.007	0.000	0.000	0.000	0.000
163	A	238	VAL	0	0.043	0.018	33.157	-0.012	-0.012	0.000	0.000	0.000	0.000
164	A	239	HIS	0	-0.014	0.001	34.434	-0.011	-0.011	0.000	0.000	0.000	0.000
165	A	240	LYS	1	0.809	0.911	32.654	0.094	0.094	0.000	0.000	0.000	0.000
166	A	241	CYS	0	-0.063	-0.032	30.470	-0.009	-0.009	0.000	0.000	0.000	0.000
167	A	242	TYR	0	-0.011	-0.020	32.205	-0.007	-0.007	0.000	0.000	0.000	0.000
168	A	243	TRP	0	-0.005	-0.029	34.902	-0.006	-0.006	0.000	0.000	0.000	0.000
169	A	244	PRO	0	-0.064	-0.031	33.398	0.002	0.002	0.000	0.000	0.000	0.000
170	A	245	CYS	0	-0.051	-0.004	32.772	-0.004	-0.004	0.000	0.000	0.000	0.000
171	A	246	ILE	0	-0.031	-0.006	34.181	-0.004	-0.004	0.000	0.000	0.000	0.000
172	A	247	HIS	0	-0.109	0.005	37.796	0.006	0.006	0.000	0.000	0.000	0.000
173	A	248	ALA	0	-0.028	-0.067	39.357	0.007	0.007	0.000	0.000	0.000	0.000
174	A	249	GLY	0	-0.032	0.006	37.725	-0.007	-0.007	0.000	0.000	0.000	0.000
175	A	250	ASP	-1	-0.748	-0.881	37.344	-0.155	-0.155	0.000	0.000	0.000	0.000
176	A	251	GLY	0	0.043	0.020	36.253	0.012	0.012	0.000	0.000	0.000	0.000
177	A	252	CYS	0	-0.023	0.004	30.040	0.000	0.000	0.000	0.000	0.000	0.000
178	A	253	MET	0	0.015	0.029	29.960	0.003	0.003	0.000	0.000	0.000	0.000
179	A	254	THR	0	-0.023	-0.028	25.830	-0.018	-0.018	0.000	0.000	0.000	0.000
180	A	255	ALA	0	0.020	0.020	24.149	-0.031	-0.031	0.000	0.000	0.000	0.000
181	A	256	ASP	-1	-0.888	-0.950	21.328	-0.417	-0.417	0.000	0.000	0.000	0.000
182	A	257	GLU	-1	-0.882	-0.945	23.816	-0.189	-0.189	0.000	0.000	0.000	0.000
183	A	258	ASN	0	-0.028	-0.040	27.264	0.007	0.007	0.000	0.000	0.000	0.000
184	A	259	GLU	-1	-0.783	-0.891	21.365	-0.320	-0.320	0.000	0.000	0.000	0.000
185	A	260	LEU	0	-0.055	-0.031	25.757	0.023	0.023	0.000	0.000	0.000	0.000
186	A	261	ALA	0	0.043	0.022	27.075	0.023	0.023	0.000	0.000	0.000	0.000
187	A	262	GLU	-1	-0.723	-0.866	28.063	-0.169	-0.169	0.000	0.000	0.000	0.000
188	A	263	SER	0	-0.055	-0.025	25.836	0.023	0.023	0.000	0.000	0.000	0.000
189	A	264	CYS	0	-0.079	-0.041	28.545	0.023	0.023	0.000	0.000	0.000	0.000
190	A	265	LEU	0	0.060	0.024	31.640	0.016	0.016	0.000	0.000	0.000	0.000
191	A	266	LYS	1	0.889	0.961	29.848	0.115	0.115	0.000	0.000	0.000	0.000
192	A	267	THR	0	0.000	-0.023	31.063	0.015	0.015	0.000	0.000	0.000	0.000
193	A	268	MET	0	-0.046	-0.003	32.879	0.011	0.011	0.000	0.000	0.000	0.000
194	A	269	VAL	0	0.037	0.020	35.422	0.008	0.008	0.000	0.000	0.000	0.000
195	A	270	ASN	0	-0.072	-0.046	31.612	-0.001	-0.001	0.000	0.000	0.000	0.000
196	A	271	ILE	0	-0.008	-0.010	35.913	0.009	0.009	0.000	0.000	0.000	0.000
197	A	272	ILE	0	-0.046	-0.010	38.311	0.006	0.006	0.000	0.000	0.000	0.000
198	A	273	ILE	0	0.012	-0.002	37.323	0.003	0.003	0.000	0.000	0.000	0.000
199	A	274	GLN	0	-0.005	0.007	37.770	-0.001	-0.001	0.000	0.000	0.000	0.000
200	A	275	PRO	0	-0.021	-0.015	40.999	0.001	0.001	0.000	0.000	0.000	0.000
201	A	276	ASP	-1	-0.853	-0.930	43.781	-0.015	-0.015	0.000	0.000	0.000	0.000
202	A	277	CYS	0	-0.089	-0.053	46.436	0.001	0.001	0.000	0.000	0.000	0.000
203	A	278	HIS	0	-0.011	-0.005	48.873	-0.001	-0.001	0.000	0.000	0.000	0.000
204	A	279	ASN	0	0.040	0.022	49.125	-0.001	-0.001	0.000	0.000	0.000	0.000
205	A	280	TYR	0	0.004	0.007	50.019	0.001	0.001	0.000	0.000	0.000	0.000
206	A	281	PRO	0	0.033	0.016	51.061	-0.002	-0.002	0.000	0.000	0.000	0.000
207	A	282	LYS	1	0.963	0.968	52.447	0.021	0.021	0.000	0.000	0.000	0.000
208	A	283	THR	0	0.023	-0.010	46.839	-0.003	-0.003	0.000	0.000	0.000	0.000
209	A	284	ALA	0	0.055	0.038	47.308	-0.003	-0.003	0.000	0.000	0.000	0.000
210	A	285	PHE	0	-0.017	-0.007	48.028	-0.004	-0.004	0.000	0.000	0.000	0.000
211	A	286	VAL	0	-0.017	-0.007	47.156	-0.003	-0.003	0.000	0.000	0.000	0.000
212	A	287	LEU	0	0.017	0.004	42.580	-0.003	-0.003	0.000	0.000	0.000	0.000
213	A	288	ILE	0	0.030	0.015	44.911	-0.005	-0.005	0.000	0.000	0.000	0.000
214	A	289	LYS	1	0.852	0.927	46.719	0.038	0.038	0.000	0.000	0.000	0.000
215	A	290	MET	0	-0.047	-0.015	42.801	-0.001	-0.001	0.000	0.000	0.000	0.000
216	A	291	PHE	0	0.040	0.007	39.832	-0.004	-0.004	0.000	0.000	0.000	0.000
217	A	292	LEU	0	-0.005	-0.003	43.571	-0.005	-0.005	0.000	0.000	0.000	0.000
218	A	293	ASP	-1	-0.829	-0.910	46.159	-0.057	-0.057	0.000	0.000	0.000	0.000
219	A	294	SER	0	-0.012	0.026	41.618	-0.003	-0.003	0.000	0.000	0.000	0.000
220	A	295	LEU	0	0.078	0.033	38.759	-0.005	-0.005	0.000	0.000	0.000	0.000
221	A	296	SER	0	-0.052	-0.032	42.428	-0.005	-0.005	0.000	0.000	0.000	0.000
222	A	297	GLU	-1	-0.855	-0.943	43.890	-0.083	-0.083	0.000	0.000	0.000	0.000
223	A	298	ILE	0	0.014	0.029	38.139	-0.003	-0.003	0.000	0.000	0.000	0.000
224	A	299	THR	0	-0.004	-0.031	41.919	-0.003	-0.003	0.000	0.000	0.000	0.000
225	A	300	LYS	1	0.745	0.856	43.400	0.083	0.083	0.000	0.000	0.000	0.000
226	A	301	THR	0	-0.109	-0.071	42.590	0.002	0.002	0.000	0.000	0.000	0.000
227	A	302	GLU	-1	-0.720	-0.823	38.780	-0.153	-0.153	0.000	0.000	0.000	0.000
228	A	303	TRP	0	-0.088	-0.028	42.355	-0.002	-0.002	0.000	0.000	0.000	0.000
229	A	304	LYS	1	0.881	0.934	44.817	0.095	0.095	0.000	0.000	0.000	0.000
230	A	305	ARG	1	0.750	0.849	40.234	0.145	0.145	0.000	0.000	0.000	0.000
231	A	306	GLU	-1	-0.855	-0.923	41.697	-0.137	-0.137	0.000	0.000	0.000	0.000
232	A	307	ASN	0	-0.063	-0.050	37.646	-0.003	-0.003	0.000	0.000	0.000	0.000
233	A	308	ASP	-1	-0.847	-0.931	33.969	-0.212	-0.212	0.000	0.000	0.000	0.000
234	A	309	ASN	0	-0.076	-0.045	33.234	-0.006	-0.006	0.000	0.000	0.000	0.000
235	A	310	GLU	-1	-0.659	-0.837	34.226	-0.147	-0.147	0.000	0.000	0.000	0.000
236	A	311	ASP	-1	-0.909	-0.954	30.310	-0.230	-0.230	0.000	0.000	0.000	0.000
237	A	312	ILE	0	0.041	0.011	32.653	0.012	0.012	0.000	0.000	0.000	0.000
238	A	313	ILE	0	-0.024	0.002	34.563	0.015	0.015	0.000	0.000	0.000	0.000
239	A	314	VAL	0	0.051	0.019	34.588	0.012	0.012	0.000	0.000	0.000	0.000
240	A	315	HIS	1	0.803	0.884	30.802	0.193	0.193	0.000	0.000	0.000	0.000
241	A	316	ILE	0	0.000	0.016	35.815	0.011	0.011	0.000	0.000	0.000	0.000
242	A	317	TYR	0	0.021	-0.008	38.752	0.009	0.009	0.000	0.000	0.000	0.000
243	A	318	MET	0	0.031	0.018	36.020	0.006	0.006	0.000	0.000	0.000	0.000
244	A	319	LEU	0	-0.065	-0.016	38.151	0.009	0.009	0.000	0.000	0.000	0.000
245	A	320	PHE	0	-0.046	-0.028	39.782	0.008	0.008	0.000	0.000	0.000	0.000
246	A	321	VAL	0	0.064	0.049	42.351	0.007	0.007	0.000	0.000	0.000	0.000
247	A	322	SER	0	0.006	-0.008	39.872	0.005	0.005	0.000	0.000	0.000	0.000
248	A	323	SER	0	-0.119	-0.071	42.245	0.008	0.008	0.000	0.000	0.000	0.000
249	A	324	VAL	0	-0.033	-0.031	44.018	0.006	0.006	0.000	0.000	0.000	0.000
250	A	325	GLU	-1	-0.901	-0.960	43.847	-0.069	-0.069	0.000	0.000	0.000	0.000
251	A	326	ARG	1	0.750	0.910	43.812	0.035	0.035	0.000	0.000	0.000	0.000
252	A	327	HIS	0	-0.077	-0.038	45.342	0.008	0.008	0.000	0.000	0.000	0.000
253	A	328	SER	0	0.073	0.014	49.258	0.000	0.000	0.000	0.000	0.000	0.000
254	A	329	THR	0	0.018	-0.001	51.903	0.001	0.001	0.000	0.000	0.000	0.000
255	A	330	LEU	0	-0.031	0.001	50.970	0.001	0.001	0.000	0.000	0.000	0.000
256	A	331	LEU	0	0.035	0.026	51.514	0.000	0.000	0.000	0.000	0.000	0.000
257	A	332	LEU	0	0.084	0.039	54.479	0.000	0.000	0.000	0.000	0.000	0.000
258	A	333	SER	0	-0.030	-0.041	57.134	0.001	0.001	0.000	0.000	0.000	0.000
259	A	334	GLY	0	0.014	-0.008	57.323	0.001	0.001	0.000	0.000	0.000	0.000
260	A	335	ILE	0	-0.023	0.005	57.184	0.000	0.000	0.000	0.000	0.000	0.000
261	A	336	THR	0	-0.004	0.000	60.207	0.001	0.001	0.000	0.000	0.000	0.000
262	A	337	SER	0	-0.047	-0.026	61.070	0.002	0.002	0.000	0.000	0.000	0.000
263	A	338	ALA	0	0.007	-0.004	63.069	-0.001	-0.001	0.000	0.000	0.000	0.000
264	A	339	ASP	-1	-0.945	-0.968	59.882	-0.028	-0.028	0.000	0.000	0.000	0.000
265	A	340	PRO	0	0.036	0.011	61.029	-0.002	-0.002	0.000	0.000	0.000	0.000
266	A	341	GLU	-1	-0.853	-0.930	55.848	-0.039	-0.039	0.000	0.000	0.000	0.000
267	A	342	LEU	0	-0.021	0.000	55.031	-0.003	-0.003	0.000	0.000	0.000	0.000
268	A	343	SER	0	0.073	0.034	56.371	-0.003	-0.003	0.000	0.000	0.000	0.000
269	A	344	ILE	0	-0.039	-0.021	55.496	-0.003	-0.003	0.000	0.000	0.000	0.000
270	A	345	LEU	0	-0.028	-0.003	50.361	-0.003	-0.003	0.000	0.000	0.000	0.000
271	A	346	VAL	0	0.034	0.021	52.676	-0.004	-0.004	0.000	0.000	0.000	0.000
272	A	347	HIS	1	0.845	0.918	53.771	0.043	0.043	0.000	0.000	0.000	0.000
273	A	348	ARG	1	0.848	0.905	50.371	0.054	0.054	0.000	0.000	0.000	0.000
274	A	349	ILE	0	0.029	0.024	48.459	-0.004	-0.004	0.000	0.000	0.000	0.000
275	A	350	VAL	0	0.026	0.011	49.652	-0.004	-0.004	0.000	0.000	0.000	0.000
276	A	351	GLN	0	0.016	0.005	51.654	-0.006	-0.006	0.000	0.000	0.000	0.000
277	A	352	GLU	-1	-0.781	-0.834	46.405	-0.090	-0.090	0.000	0.000	0.000	0.000
278	A	353	ILE	0	0.039	0.019	46.516	-0.006	-0.006	0.000	0.000	0.000	0.000
279	A	354	LEU	0	-0.001	0.012	47.993	-0.003	-0.003	0.000	0.000	0.000	0.000
280	A	355	HIS	1	0.819	0.903	47.712	0.081	0.081	0.000	0.000	0.000	0.000
281	A	356	CYS	0	0.004	0.026	43.568	-0.006	-0.006	0.000	0.000	0.000	0.000
282	A	357	THR	0	-0.043	-0.030	45.135	-0.004	-0.004	0.000	0.000	0.000	0.000
283	A	358	ASP	-1	-0.826	-0.918	47.569	-0.092	-0.092	0.000	0.000	0.000	0.000
284	A	359	LYS	1	0.859	0.944	39.768	0.151	0.151	0.000	0.000	0.000	0.000
285	A	360	PRO	0	-0.055	-0.010	45.465	0.001	0.001	0.000	0.000	0.000	0.000
286	A	361	GLY	0	0.113	0.059	44.029	-0.006	-0.006	0.000	0.000	0.000	0.000
287	A	362	ILE	0	-0.066	-0.045	43.812	0.007	0.007	0.000	0.000	0.000	0.000
288	A	363	TYR	0	-0.007	0.051	38.882	-0.010	-0.010	0.000	0.000	0.000	0.000
289	A	364	PRO	0	0.018	-0.030	37.088	0.005	0.005	0.000	0.000	0.000	0.000
290	A	365	VAL	0	-0.031	-0.029	37.430	-0.008	-0.008	0.000	0.000	0.000	0.000
291	A	366	GLU	-1	-0.855	-0.921	37.810	-0.159	-0.159	0.000	0.000	0.000	0.000
292	A	367	GLU	-1	-0.757	-0.827	39.594	-0.129	-0.129	0.000	0.000	0.000	0.000
293	A	368	SER	0	-0.020	-0.026	36.661	-0.002	-0.002	0.000	0.000	0.000	0.000
294	A	369	CYS	0	-0.046	-0.031	38.655	0.003	0.003	0.000	0.000	0.000	0.000
295	A	370	SER	0	-0.034	-0.041	40.884	0.007	0.007	0.000	0.000	0.000	0.000
296	A	371	THR	0	0.004	0.005	39.136	0.010	0.010	0.000	0.000	0.000	0.000
297	A	372	MET	0	-0.043	-0.005	37.144	0.005	0.005	0.000	0.000	0.000	0.000
298	A	373	ALA	0	0.002	0.002	42.276	0.005	0.005	0.000	0.000	0.000	0.000
299	A	374	LEU	0	0.011	0.007	45.780	0.006	0.006	0.000	0.000	0.000	0.000
300	A	375	ALA	0	0.046	0.026	44.970	0.005	0.005	0.000	0.000	0.000	0.000
301	A	376	PHE	0	0.056	0.022	46.751	0.006	0.006	0.000	0.000	0.000	0.000
302	A	377	TRP	0	0.007	-0.011	48.355	0.007	0.007	0.000	0.000	0.000	0.000
303	A	378	TYR	0	0.024	0.037	49.381	0.006	0.006	0.000	0.000	0.000	0.000
304	A	379	MET	0	0.026	0.013	46.826	0.005	0.005	0.000	0.000	0.000	0.000
305	A	380	LEU	0	-0.033	-0.005	51.592	0.004	0.004	0.000	0.000	0.000	0.000
306	A	381	GLN	0	-0.008	-0.026	53.891	0.005	0.005	0.000	0.000	0.000	0.000
307	A	382	ASP	-1	-0.917	-0.954	54.311	-0.039	-0.039	0.000	0.000	0.000	0.000
308	A	383	GLU	-1	-0.835	-0.891	52.646	-0.039	-0.039	0.000	0.000	0.000	0.000
309	A	384	VAL	0	-0.068	-0.046	56.584	0.003	0.003	0.000	0.000	0.000	0.000
310	A	385	PHE	0	-0.027	-0.019	59.399	0.003	0.003	0.000	0.000	0.000	0.000
311	A	386	ALA	0	-0.051	-0.010	58.485	0.002	0.002	0.000	0.000	0.000	0.000
312	A	387	MET	0	-0.064	-0.030	59.999	0.002	0.002	0.000	0.000	0.000	0.000
313	A	388	SER	0	-0.069	-0.039	61.681	0.002	0.002	0.000	0.000	0.000	0.000
314	A	389	ASN	0	0.019	-0.003	65.051	0.001	0.001	0.000	0.000	0.000	0.000
315	A	390	ASP	-1	-0.891	-0.935	68.268	-0.022	-0.022	0.000	0.000	0.000	0.000
316	A	391	GLU	-1	-0.885	-0.948	68.889	-0.020	-0.020	0.000	0.000	0.000	0.000
317	A	392	GLN	0	-0.028	-0.020	65.242	-0.002	-0.002	0.000	0.000	0.000	0.000
318	A	393	LYS	1	0.938	0.982	65.139	0.025	0.025	0.000	0.000	0.000	0.000
319	A	394	HIS	0	-0.054	-0.025	65.869	-0.002	-0.002	0.000	0.000	0.000	0.000
320	A	395	LYS	1	0.868	0.930	64.302	0.031	0.031	0.000	0.000	0.000	0.000
321	A	396	CYS	0	-0.065	-0.028	62.099	-0.002	-0.002	0.000	0.000	0.000	0.000
322	A	397	TRP	0	0.042	0.015	62.315	-0.003	-0.003	0.000	0.000	0.000	0.000
323	A	398	GLU	-1	-0.911	-0.955	64.674	-0.034	-0.034	0.000	0.000	0.000	0.000
324	A	399	TYR	0	-0.047	-0.010	56.833	-0.001	-0.001	0.000	0.000	0.000	0.000
325	A	400	ILE	0	0.027	-0.005	58.848	-0.002	-0.002	0.000	0.000	0.000	0.000
326	A	401	LYS	1	0.984	1.002	60.448	0.036	0.036	0.000	0.000	0.000	0.000
327	A	402	PRO	0	0.001	-0.006	62.327	-0.002	-0.002	0.000	0.000	0.000	0.000
328	A	403	LEU	0	-0.037	-0.002	55.352	-0.002	-0.002	0.000	0.000	0.000	0.000
329	A	404	TYR	0	0.039	-0.027	54.493	-0.003	-0.003	0.000	0.000	0.000	0.000
330	A	405	ALA	0	-0.002	0.007	58.586	-0.002	-0.002	0.000	0.000	0.000	0.000
331	A	406	HIS	0	-0.050	-0.025	55.577	0.000	0.000	0.000	0.000	0.000	0.000
332	A	407	LEU	0	-0.003	0.007	51.992	-0.003	-0.003	0.000	0.000	0.000	0.000
333	A	408	THR	0	0.032	0.005	54.874	-0.003	-0.003	0.000	0.000	0.000	0.000
334	A	409	ARG	1	0.859	0.876	56.479	0.063	0.063	0.000	0.000	0.000	0.000
335	A	410	ILE	0	-0.050	-0.014	51.222	-0.002	-0.002	0.000	0.000	0.000	0.000
336	A	411	LEU	0	0.033	0.014	50.724	-0.005	-0.005	0.000	0.000	0.000	0.000
337	A	412	VAL	0	0.027	0.011	52.433	-0.003	-0.003	0.000	0.000	0.000	0.000
338	A	413	ARG	1	0.800	0.902	48.533	0.098	0.098	0.000	0.000	0.000	0.000
339	A	414	LYS	1	0.765	0.868	45.042	0.114	0.114	0.000	0.000	0.000	0.000
340	A	415	SER	0	-0.039	-0.010	48.561	-0.004	-0.004	0.000	0.000	0.000	0.000
341	A	416	GLU	-1	-0.919	-0.964	50.832	-0.095	-0.095	0.000	0.000	0.000	0.000
342	A	417	GLN	0	-0.009	0.003	48.181	-0.002	-0.002	0.000	0.000	0.000	0.000
343	A	418	PRO	0	0.029	0.007	44.711	0.003	0.003	0.000	0.000	0.000	0.000
344	A	419	ASP	-1	-0.803	-0.891	47.676	-0.124	-0.124	0.000	0.000	0.000	0.000
345	A	420	GLU	-1	-0.901	-0.952	48.063	-0.120	-0.120	0.000	0.000	0.000	0.000
346	A	421	LYS	1	0.775	0.867	47.496	0.118	0.118	0.000	0.000	0.000	0.000
347	A	422	SER	0	0.007	-0.011	44.617	-0.009	-0.009	0.000	0.000	0.000	0.000
348	A	423	LEU	0	-0.007	-0.006	43.080	-0.007	-0.007	0.000	0.000	0.000	0.000
349	A	424	ALA	0	-0.026	-0.007	42.513	-0.005	-0.005	0.000	0.000	0.000	0.000
350	A	425	LYS	1	0.813	0.899	38.905	0.159	0.159	0.000	0.000	0.000	0.000
351	A	426	TRP	0	-0.044	-0.014	37.803	-0.010	-0.010	0.000	0.000	0.000	0.000
352	A	427	SER	0	0.012	0.023	34.525	-0.001	-0.001	0.000	0.000	0.000	0.000
353	A	428	SER	0	-0.022	-0.036	37.036	0.012	0.012	0.000	0.000	0.000	0.000
354	A	429	ASP	-1	-0.893	-0.950	34.146	-0.216	-0.216	0.000	0.000	0.000	0.000
355	A	430	ASP	-1	-0.812	-0.902	35.829	-0.206	-0.206	0.000	0.000	0.000	0.000
356	A	431	LEU	0	-0.035	-0.022	38.055	0.012	0.012	0.000	0.000	0.000	0.000
357	A	432	GLU	-1	-0.930	-0.971	39.403	-0.122	-0.122	0.000	0.000	0.000	0.000
358	A	433	CYS	0	-0.041	-0.011	37.371	0.011	0.011	0.000	0.000	0.000	0.000
359	A	434	PHE	0	0.027	0.004	40.061	0.009	0.009	0.000	0.000	0.000	0.000
360	A	435	ARG	1	0.924	0.979	43.085	0.115	0.115	0.000	0.000	0.000	0.000
361	A	436	CYS	0	-0.043	-0.036	42.193	0.007	0.007	0.000	0.000	0.000	0.000
362	A	437	TYR	0	0.025	0.004	42.944	0.007	0.007	0.000	0.000	0.000	0.000
363	A	438	ARG	1	0.700	0.816	44.750	0.102	0.102	0.000	0.000	0.000	0.000
364	A	439	GLN	0	-0.048	-0.010	47.199	0.004	0.004	0.000	0.000	0.000	0.000
365	A	440	ASP	-1	-0.864	-0.938	44.445	-0.096	-0.096	0.000	0.000	0.000	0.000
366	A	441	ILE	0	-0.047	-0.025	48.040	0.006	0.006	0.000	0.000	0.000	0.000
367	A	442	SER	0	-0.021	-0.018	50.327	0.003	0.003	0.000	0.000	0.000	0.000
368	A	443	ASP	-1	-0.818	-0.884	50.587	-0.067	-0.067	0.000	0.000	0.000	0.000
369	A	444	THR	0	-0.042	-0.038	50.403	0.004	0.004	0.000	0.000	0.000	0.000
370	A	445	PHE	0	0.008	-0.008	52.957	0.003	0.003	0.000	0.000	0.000	0.000
371	A	446	MET	0	0.007	0.026	55.774	0.003	0.003	0.000	0.000	0.000	0.000
372	A	447	TYR	0	-0.034	-0.032	51.452	0.004	0.004	0.000	0.000	0.000	0.000
373	A	448	CYS	0	-0.081	-0.046	55.775	0.002	0.002	0.000	0.000	0.000	0.000
374	A	449	TYR	0	-0.014	0.000	58.558	0.002	0.002	0.000	0.000	0.000	0.000
375	A	450	ASP	-1	-0.830	-0.918	58.905	-0.046	-0.046	0.000	0.000	0.000	0.000
376	A	451	VAL	0	-0.090	-0.037	59.024	0.003	0.003	0.000	0.000	0.000	0.000
377	A	452	LEU	0	-0.112	-0.069	60.914	0.002	0.002	0.000	0.000	0.000	0.000
378	A	453	ASN	0	-0.042	-0.026	64.210	0.001	0.001	0.000	0.000	0.000	0.000
379	A	454	ASP	-1	-0.789	-0.901	65.495	-0.043	-0.043	0.000	0.000	0.000	0.000
380	A	455	TYR	0	-0.067	-0.032	65.243	-0.001	-0.001	0.000	0.000	0.000	0.000
381	A	456	ILE	0	0.017	0.009	59.429	-0.001	-0.001	0.000	0.000	0.000	0.000
382	A	457	LEU	0	0.040	0.024	63.536	-0.002	-0.002	0.000	0.000	0.000	0.000
383	A	458	GLU	-1	-0.901	-0.935	65.859	-0.048	-0.048	0.000	0.000	0.000	0.000
384	A	459	ILE	0	-0.061	-0.025	61.269	-0.001	-0.001	0.000	0.000	0.000	0.000
385	A	460	LEU	0	0.033	0.018	59.252	-0.002	-0.002	0.000	0.000	0.000	0.000
386	A	461	ALA	0	-0.021	-0.005	62.786	-0.002	-0.002	0.000	0.000	0.000	0.000
387	A	462	ALA	0	0.009	-0.003	65.171	-0.001	-0.001	0.000	0.000	0.000	0.000
388	A	463	MET	0	-0.020	0.006	57.337	-0.001	-0.001	0.000	0.000	0.000	0.000
389	A	464	LEU	0	0.002	0.005	62.324	-0.002	-0.002	0.000	0.000	0.000	0.000
390	A	465	ASP	-1	-0.797	-0.875	63.680	-0.056	-0.056	0.000	0.000	0.000	0.000
391	A	466	GLU	-1	-0.852	-0.888	61.832	-0.067	-0.067	0.000	0.000	0.000	0.000
392	A	467	ALA	0	-0.031	-0.015	60.839	-0.002	-0.002	0.000	0.000	0.000	0.000
393	A	468	ILE	0	0.028	0.017	62.211	-0.002	-0.002	0.000	0.000	0.000	0.000
394	A	469	ALA	0	-0.018	-0.007	65.413	0.000	0.000	0.000	0.000	0.000	0.000
395	A	470	ASP	-1	-0.861	-0.944	59.910	-0.082	-0.082	0.000	0.000	0.000	0.000
396	A	471	LEU	0	0.035	0.038	62.180	-0.001	-0.001	0.000	0.000	0.000	0.000
397	A	472	GLN	0	-0.054	-0.039	63.566	0.000	0.000	0.000	0.000	0.000	0.000
398	A	473	ARG	1	0.797	0.908	63.789	0.065	0.065	0.000	0.000	0.000	0.000
399	A	474	HIS	0	-0.018	-0.004	60.387	-0.001	-0.001	0.000	0.000	0.000	0.000
400	A	475	PRO	0	0.000	0.003	61.854	-0.001	-0.001	0.000	0.000	0.000	0.000
401	A	476	THR	0	0.028	0.006	56.855	0.001	0.001	0.000	0.000	0.000	0.000
402	A	477	HIS	0	0.018	0.012	57.052	-0.004	-0.004	0.000	0.000	0.000	0.000
403	A	478	TRP	0	0.017	-0.005	51.517	0.003	0.003	0.000	0.000	0.000	0.000
404	A	479	THR	0	-0.002	0.011	51.860	0.002	0.002	0.000	0.000	0.000	0.000
405	A	480	LYS	1	0.954	0.975	54.889	0.081	0.081	0.000	0.000	0.000	0.000
406	A	481	LEU	0	0.018	0.008	57.022	0.002	0.002	0.000	0.000	0.000	0.000
407	A	482	GLU	-1	-0.767	-0.844	53.451	-0.091	-0.091	0.000	0.000	0.000	0.000
408	A	483	ALA	0	0.055	0.036	54.148	0.001	0.001	0.000	0.000	0.000	0.000
409	A	484	CYS	0	-0.038	-0.011	55.592	0.002	0.002	0.000	0.000	0.000	0.000
410	A	485	ILE	0	-0.007	0.009	59.063	0.003	0.003	0.000	0.000	0.000	0.000
411	A	486	TYR	0	0.070	0.023	51.741	0.000	0.000	0.000	0.000	0.000	0.000
412	A	487	SER	0	-0.030	-0.028	56.757	0.002	0.002	0.000	0.000	0.000	0.000
413	A	488	PHE	0	-0.011	-0.033	57.582	0.002	0.002	0.000	0.000	0.000	0.000
414	A	489	GLN	0	-0.021	-0.005	56.285	0.000	0.000	0.000	0.000	0.000	0.000
415	A	490	SER	0	-0.052	-0.019	55.576	0.000	0.000	0.000	0.000	0.000	0.000
416	A	491	VAL	0	-0.030	-0.014	57.528	0.001	0.001	0.000	0.000	0.000	0.000
417	A	492	ALA	0	0.015	0.007	60.677	0.003	0.003	0.000	0.000	0.000	0.000
418	A	493	GLU	-1	-0.969	-0.984	59.563	-0.056	-0.056	0.000	0.000	0.000	0.000
419	A	494	HIS	0	-0.050	-0.022	60.472	0.003	0.003	0.000	0.000	0.000	0.000
420	A	495	PHE	0	-0.020	-0.012	64.031	0.002	0.002	0.000	0.000	0.000	0.000
421	A	496	GLY	0	0.059	0.052	67.353	0.002	0.002	0.000	0.000	0.000	0.000
422	A	497	GLY	0	0.019	-0.025	69.224	-0.001	-0.001	0.000	0.000	0.000	0.000
423	A	498	GLU	-1	-0.836	-0.894	72.335	-0.038	-0.038	0.000	0.000	0.000	0.000
424	A	499	GLU	-1	-0.842	-0.926	73.032	-0.036	-0.036	0.000	0.000	0.000	0.000
425	A	500	LYN	0	-0.014	-0.011	67.698	0.000	0.000	0.000	0.000	0.000	0.000
426	A	501	ARG	1	0.713	0.848	72.275	0.037	0.037	0.000	0.000	0.000	0.000
427	A	502	GLN	0	0.026	-0.005	68.550	-0.002	-0.002	0.000	0.000	0.000	0.000
428	A	503	ILE	0	0.065	0.049	66.106	-0.001	-0.001	0.000	0.000	0.000	0.000
429	A	504	PRO	0	0.001	0.002	69.601	-0.001	-0.001	0.000	0.000	0.000	0.000
430	A	505	ARG	1	0.749	0.857	67.592	0.053	0.053	0.000	0.000	0.000	0.000
431	A	506	LEU	0	0.037	0.035	64.062	-0.001	-0.001	0.000	0.000	0.000	0.000
432	A	507	MET	0	0.009	0.006	67.850	-0.002	-0.002	0.000	0.000	0.000	0.000
433	A	508	ARG	1	0.930	0.957	69.847	0.046	0.046	0.000	0.000	0.000	0.000
434	A	509	VAL	0	0.022	0.017	65.964	-0.001	-0.001	0.000	0.000	0.000	0.000
435	A	510	LEU	0	-0.011	-0.005	63.417	-0.002	-0.002	0.000	0.000	0.000	0.000
436	A	511	ALA	0	-0.045	-0.011	67.094	-0.001	-0.001	0.000	0.000	0.000	0.000
437	A	512	GLU	-1	-1.005	-0.986	69.509	-0.057	-0.057	0.000	0.000	0.000	0.000
438	A	513	ILE	0	-0.012	-0.002	63.307	-0.001	-0.001	0.000	0.000	0.000	0.000
439	A	514	PRO	0	0.008	-0.009	65.008	0.000	0.000	0.000	0.000	0.000	0.000
440	A	515	TYR	0	-0.037	-0.030	62.220	-0.001	-0.001	0.000	0.000	0.000	0.000
441	A	516	GLU	-1	-0.840	-0.917	62.367	-0.070	-0.070	0.000	0.000	0.000	0.000
442	A	517	LYS	1	0.783	0.894	62.982	0.073	0.073	0.000	0.000	0.000	0.000
443	A	518	LEU	0	-0.035	-0.008	59.733	-0.002	-0.002	0.000	0.000	0.000	0.000
444	A	519	ASN	0	0.039	0.019	53.461	0.000	0.000	0.000	0.000	0.000	0.000
445	A	520	VAL	0	0.062	0.017	56.640	0.002	0.002	0.000	0.000	0.000	0.000
446	A	521	LYS	1	0.950	0.980	49.019	0.120	0.120	0.000	0.000	0.000	0.000
447	A	522	LEU	0	0.028	0.035	55.165	0.001	0.001	0.000	0.000	0.000	0.000
448	A	523	LEU	0	0.017	0.008	57.809	0.002	0.002	0.000	0.000	0.000	0.000
449	A	524	GLY	0	-0.023	-0.024	56.975	0.003	0.003	0.000	0.000	0.000	0.000
450	A	525	THR	0	0.012	-0.008	54.872	0.002	0.002	0.000	0.000	0.000	0.000
451	A	526	ALA	0	0.013	0.021	57.395	0.003	0.003	0.000	0.000	0.000	0.000
452	A	527	LEU	0	-0.079	-0.028	60.342	0.003	0.003	0.000	0.000	0.000	0.000
453	A	528	GLU	-1	-0.913	-0.963	54.855	-0.080	-0.080	0.000	0.000	0.000	0.000
454	A	529	THR	0	0.001	0.003	59.460	0.002	0.002	0.000	0.000	0.000	0.000
455	A	530	MET	0	-0.042	-0.019	61.238	0.003	0.003	0.000	0.000	0.000	0.000
456	A	531	GLY	0	-0.040	-0.036	62.689	0.002	0.002	0.000	0.000	0.000	0.000
457	A	532	SER	0	0.000	-0.015	60.297	0.001	0.001	0.000	0.000	0.000	0.000
458	A	533	TYR	-1	-0.812	-0.909	62.569	-0.053	-0.053	0.000	0.000	0.000	0.000
459	A	534	CYS	0	-0.061	-0.008	65.928	0.001	0.001	0.000	0.000	0.000	0.000
460	A	535	ASN	0	0.031	0.013	67.456	0.002	0.002	0.000	0.000	0.000	0.000
461	A	536	TRP	0	0.002	0.002	68.863	0.001	0.001	0.000	0.000	0.000	0.000
462	A	537	LEU	0	-0.041	-0.037	69.408	0.001	0.001	0.000	0.000	0.000	0.000
463	A	538	MET	0	-0.095	-0.042	71.872	0.002	0.002	0.000	0.000	0.000	0.000
464	A	539	GLU	-1	-0.928	-0.958	73.349	-0.034	-0.034	0.000	0.000	0.000	0.000
465	A	540	ASN	0	-0.095	-0.043	74.918	0.002	0.002	0.000	0.000	0.000	0.000
466	A	541	PRO	0	0.013	0.001	75.982	-0.001	-0.001	0.000	0.000	0.000	0.000
467	A	542	ALA	0	-0.033	-0.018	78.407	-0.001	-0.001	0.000	0.000	0.000	0.000
468	A	543	TYR	0	-0.002	-0.012	73.621	-0.001	-0.001	0.000	0.000	0.000	0.000
469	A	544	ILE	0	0.084	0.050	73.581	-0.002	-0.002	0.000	0.000	0.000	0.000
470	A	545	PRO	0	0.004	-0.013	73.673	-0.002	-0.002	0.000	0.000	0.000	0.000
471	A	546	PRO	0	-0.016	-0.013	72.693	-0.001	-0.001	0.000	0.000	0.000	0.000
472	A	547	ALA	0	0.091	0.057	69.701	-0.002	-0.002	0.000	0.000	0.000	0.000
473	A	548	ILE	0	0.013	0.018	69.332	-0.002	-0.002	0.000	0.000	0.000	0.000
474	A	549	ASN	0	-0.042	-0.028	70.650	-0.001	-0.001	0.000	0.000	0.000	0.000
475	A	550	LEU	0	0.002	0.011	65.170	-0.002	-0.002	0.000	0.000	0.000	0.000
476	A	551	LEU	0	0.047	0.016	64.843	-0.003	-0.003	0.000	0.000	0.000	0.000
477	A	552	VAL	0	0.002	0.003	66.242	-0.002	-0.002	0.000	0.000	0.000	0.000
478	A	553	ARG	1	0.854	0.907	66.618	0.061	0.061	0.000	0.000	0.000	0.000
479	A	554	GLY	0	0.046	0.016	63.138	-0.003	-0.003	0.000	0.000	0.000	0.000
480	A	555	LEU	0	-0.043	-0.023	62.474	-0.003	-0.003	0.000	0.000	0.000	0.000
481	A	556	ASN	0	-0.054	-0.032	63.915	-0.001	-0.001	0.000	0.000	0.000	0.000
482	A	557	SER	0	-0.001	0.018	60.669	-0.003	-0.003	0.000	0.000	0.000	0.000
483	A	558	SER	0	-0.023	-0.029	56.068	0.002	0.002	0.000	0.000	0.000	0.000
484	A	559	MET	0	-0.031	0.007	53.619	-0.003	-0.003	0.000	0.000	0.000	0.000
485	A	560	SER	0	0.049	0.004	57.878	0.002	0.002	0.000	0.000	0.000	0.000
486	A	561	ALA	0	-0.077	-0.019	55.766	0.003	0.003	0.000	0.000	0.000	0.000
487	A	562	GLN	0	0.110	0.040	54.608	0.004	0.004	0.000	0.000	0.000	0.000
488	A	563	ALA	0	0.015	0.027	58.483	0.003	0.003	0.000	0.000	0.000	0.000
489	A	564	THR	0	-0.065	-0.058	60.923	0.003	0.003	0.000	0.000	0.000	0.000
490	A	565	LEU	0	-0.045	-0.025	56.170	0.003	0.003	0.000	0.000	0.000	0.000
491	A	566	GLY	0	0.085	0.048	60.637	0.002	0.002	0.000	0.000	0.000	0.000
492	A	567	LEU	0	-0.006	0.000	63.121	0.002	0.002	0.000	0.000	0.000	0.000
493	A	568	LYS	1	0.849	0.933	61.978	0.055	0.055	0.000	0.000	0.000	0.000
494	A	569	GLU	-1	-0.810	-0.899	61.986	-0.051	-0.051	0.000	0.000	0.000	0.000
495	A	570	LEU	0	0.038	0.021	65.035	0.001	0.001	0.000	0.000	0.000	0.000
496	A	571	CYS	0	-0.066	-0.030	68.019	0.002	0.002	0.000	0.000	0.000	0.000
497	A	572	ARG	1	0.760	0.858	61.249	0.053	0.053	0.000	0.000	0.000	0.000
498	A	573	ASP	-1	-0.830	-0.917	68.736	-0.042	-0.042	0.000	0.000	0.000	0.000
499	A	574	CYS	0	-0.003	0.011	70.736	-0.001	-0.001	0.000	0.000	0.000	0.000
500	A	575	GLN	0	0.025	0.019	73.359	0.000	0.000	0.000	0.000	0.000	0.000
501	A	576	LEU	0	0.009	0.005	74.690	0.000	0.000	0.000	0.000	0.000	0.000
502	A	577	GLN	0	0.018	0.005	76.619	0.001	0.001	0.000	0.000	0.000	0.000
503	A	578	LEU	0	-0.001	-0.006	72.930	0.000	0.000	0.000	0.000	0.000	0.000
504	A	579	LYS	1	0.908	0.957	77.144	0.030	0.030	0.000	0.000	0.000	0.000
505	A	580	PRO	0	-0.022	-0.016	80.108	0.000	0.000	0.000	0.000	0.000	0.000
506	A	581	TYR	0	-0.032	-0.008	77.321	0.000	0.000	0.000	0.000	0.000	0.000
507	A	582	ALA	0	0.067	0.039	77.319	-0.001	-0.001	0.000	0.000	0.000	0.000
508	A	583	ASP	-1	-0.681	-0.825	77.219	-0.039	-0.039	0.000	0.000	0.000	0.000
509	A	584	PRO	0	-0.020	0.000	78.034	-0.001	-0.001	0.000	0.000	0.000	0.000
510	A	585	LEU	0	0.070	0.043	71.007	-0.002	-0.002	0.000	0.000	0.000	0.000
511	A	586	LEU	0	0.033	0.018	73.328	-0.002	-0.002	0.000	0.000	0.000	0.000
512	A	587	ASN	0	-0.066	-0.046	74.220	-0.001	-0.001	0.000	0.000	0.000	0.000
513	A	588	ALA	0	0.009	0.016	72.123	-0.001	-0.001	0.000	0.000	0.000	0.000
514	A	589	CYS	0	-0.037	-0.018	69.676	-0.002	-0.002	0.000	0.000	0.000	0.000
515	A	590	HIS	0	0.047	0.020	69.659	-0.002	-0.002	0.000	0.000	0.000	0.000
516	A	591	ALA	0	-0.016	0.006	71.263	-0.001	-0.001	0.000	0.000	0.000	0.000
517	A	592	SER	0	-0.045	-0.045	66.587	-0.002	-0.002	0.000	0.000	0.000	0.000
518	A	593	LEU	0	-0.056	-0.032	65.702	-0.002	-0.002	0.000	0.000	0.000	0.000
519	A	594	ASN	0	-0.074	-0.035	67.355	-0.001	-0.001	0.000	0.000	0.000	0.000
520	A	595	THR	0	-0.052	-0.005	64.876	-0.001	-0.001	0.000	0.000	0.000	0.000
521	A	596	GLY	0	0.021	0.005	64.098	0.000	0.000	0.000	0.000	0.000	0.000
522	A	597	ARG	1	0.809	0.915	59.045	0.074	0.074	0.000	0.000	0.000	0.000
523	A	598	MET	0	-0.001	0.009	59.674	-0.003	-0.003	0.000	0.000	0.000	0.000
524	A	599	LYS	1	0.947	0.966	53.813	0.086	0.086	0.000	0.000	0.000	0.000
525	A	600	ASN	0	0.070	0.021	56.665	0.003	0.003	0.000	0.000	0.000	0.000
526	A	601	SER	0	0.027	-0.002	54.231	0.003	0.003	0.000	0.000	0.000	0.000
527	A	602	ASP	-1	-0.728	-0.844	57.441	-0.076	-0.076	0.000	0.000	0.000	0.000
528	A	603	SER	0	0.045	0.018	59.586	0.003	0.003	0.000	0.000	0.000	0.000
529	A	604	VAL	0	-0.026	-0.005	59.879	0.003	0.003	0.000	0.000	0.000	0.000
530	A	605	ARG	1	0.856	0.926	55.895	0.074	0.074	0.000	0.000	0.000	0.000
531	A	606	LEU	0	0.047	0.019	62.156	0.002	0.002	0.000	0.000	0.000	0.000
532	A	607	MET	0	0.000	0.013	64.815	0.002	0.002	0.000	0.000	0.000	0.000
533	A	608	PHE	0	0.050	0.026	64.443	0.002	0.002	0.000	0.000	0.000	0.000
534	A	609	SER	0	0.028	0.009	66.004	0.002	0.002	0.000	0.000	0.000	0.000
535	A	610	ILE	0	0.024	0.008	68.129	0.002	0.002	0.000	0.000	0.000	0.000
536	A	611	GLY	0	0.033	0.020	69.897	0.002	0.002	0.000	0.000	0.000	0.000
537	A	612	LYS	1	0.836	0.914	69.932	0.042	0.042	0.000	0.000	0.000	0.000
538	A	613	LEU	0	-0.007	-0.006	72.024	0.001	0.001	0.000	0.000	0.000	0.000
539	A	614	MET	0	-0.034	-0.015	74.161	0.001	0.001	0.000	0.000	0.000	0.000
540	A	615	SER	0	-0.051	-0.025	74.548	0.001	0.001	0.000	0.000	0.000	0.000
541	A	616	LEU	0	-0.039	0.006	76.568	0.001	0.001	0.000	0.000	0.000	0.000
542	A	617	LEU	0	-0.002	-0.002	78.778	0.000	0.000	0.000	0.000	0.000	0.000
543	A	618	ARG	1	0.821	0.893	81.570	0.030	0.030	0.000	0.000	0.000	0.000
544	A	619	PRO	0	0.027	0.007	84.310	-0.001	-0.001	0.000	0.000	0.000	0.000
545	A	620	GLU	-1	-0.816	-0.912	85.606	-0.029	-0.029	0.000	0.000	0.000	0.000
546	A	621	GLU	-1	-0.880	-0.930	83.752	-0.034	-0.034	0.000	0.000	0.000	0.000
547	A	622	ILE	0	0.017	0.009	79.035	-0.001	-0.001	0.000	0.000	0.000	0.000
548	A	623	PRO	0	-0.010	-0.012	80.328	-0.001	-0.001	0.000	0.000	0.000	0.000
549	A	624	LYS	1	0.778	0.881	80.966	0.035	0.035	0.000	0.000	0.000	0.000
550	A	625	TYR	0	-0.002	-0.046	76.714	-0.001	-0.001	0.000	0.000	0.000	0.000
551	A	626	LEU	0	-0.037	-0.008	76.242	-0.001	-0.001	0.000	0.000	0.000	0.000
552	A	627	ASP	-1	-0.890	-0.933	76.474	-0.039	-0.039	0.000	0.000	0.000	0.000
553	A	628	ILE	0	-0.001	0.010	75.260	-0.001	-0.001	0.000	0.000	0.000	0.000
554	A	629	ILE	0	-0.028	-0.025	71.889	-0.002	-0.002	0.000	0.000	0.000	0.000
555	A	630	VAL	0	-0.024	-0.015	71.575	-0.001	-0.001	0.000	0.000	0.000	0.000
556	A	631	SER	0	-0.023	-0.016	72.165	0.000	0.000	0.000	0.000	0.000	0.000
557	A	632	PRO	0	0.075	0.053	70.770	0.000	0.000	0.000	0.000	0.000	0.000
558	A	633	CYS	0	-0.050	-0.017	68.120	-0.002	-0.002	0.000	0.000	0.000	0.000
559	A	634	PHE	0	0.046	0.002	68.943	0.000	0.000	0.000	0.000	0.000	0.000
560	A	635	GLU	-1	-0.908	-0.946	71.461	-0.043	-0.043	0.000	0.000	0.000	0.000
561	A	636	GLU	-1	-0.777	-0.853	64.666	-0.058	-0.058	0.000	0.000	0.000	0.000
562	A	637	LEU	0	-0.010	-0.007	65.239	-0.001	-0.001	0.000	0.000	0.000	0.000
563	A	638	GLN	0	-0.041	-0.032	68.191	0.002	0.002	0.000	0.000	0.000	0.000
564	A	639	ALA	0	0.003	0.010	68.992	0.001	0.001	0.000	0.000	0.000	0.000
565	A	640	ILE	0	-0.050	-0.021	63.388	-0.001	-0.001	0.000	0.000	0.000	0.000
566	A	641	CYS	0	-0.050	-0.037	66.787	0.001	0.001	0.000	0.000	0.000	0.000
567	A	642	GLN	0	-0.039	-0.019	68.809	0.001	0.001	0.000	0.000	0.000	0.000
568	A	643	ALA	0	-0.031	-0.007	66.824	0.000	0.000	0.000	0.000	0.000	0.000
569	A	644	ASP	-1	-0.909	-0.947	66.032	-0.044	-0.044	0.000	0.000	0.000	0.000
570	A	645	SER	0	-0.051	-0.041	62.491	-0.002	-0.002	0.000	0.000	0.000	0.000
571	A	646	LYS	1	0.880	0.927	59.600	0.047	0.047	0.000	0.000	0.000	0.000
572	A	647	THR	0	-0.014	0.003	57.747	-0.003	-0.003	0.000	0.000	0.000	0.000
573	A	648	PRO	0	0.060	0.004	53.406	0.001	0.001	0.000	0.000	0.000	0.000
574	A	649	ALA	0	0.015	0.007	55.581	0.000	0.000	0.000	0.000	0.000	0.000
575	A	650	ALA	0	0.056	0.031	57.390	0.001	0.001	0.000	0.000	0.000	0.000
576	A	651	ARG	1	0.838	0.907	53.773	0.065	0.065	0.000	0.000	0.000	0.000
577	A	652	ILE	0	-0.015	-0.014	53.002	0.001	0.001	0.000	0.000	0.000	0.000
578	A	653	ARG	1	0.877	0.932	57.091	0.065	0.065	0.000	0.000	0.000	0.000
579	A	654	THR	0	0.021	0.000	60.651	0.002	0.002	0.000	0.000	0.000	0.000
580	A	655	ILE	0	-0.008	-0.006	55.908	0.002	0.002	0.000	0.000	0.000	0.000
581	A	656	PHE	0	-0.026	-0.011	59.190	0.001	0.001	0.000	0.000	0.000	0.000
582	A	657	ARG	1	0.856	0.898	60.495	0.056	0.056	0.000	0.000	0.000	0.000
583	A	658	LEU	0	0.018	0.010	62.273	0.002	0.002	0.000	0.000	0.000	0.000
584	A	659	ASN	0	0.011	0.005	57.653	0.003	0.003	0.000	0.000	0.000	0.000
585	A	660	MET	0	-0.007	0.004	62.049	0.001	0.001	0.000	0.000	0.000	0.000
586	A	661	ILE	0	0.001	0.011	64.658	0.001	0.001	0.000	0.000	0.000	0.000
587	A	662	SER	0	-0.022	-0.007	63.280	0.001	0.001	0.000	0.000	0.000	0.000
588	A	663	THR	0	-0.046	-0.044	62.942	0.001	0.001	0.000	0.000	0.000	0.000
589	A	664	LEU	0	-0.002	0.014	65.232	0.001	0.001	0.000	0.000	0.000	0.000
590	A	665	PHE	0	-0.020	-0.042	68.710	0.002	0.002	0.000	0.000	0.000	0.000
591	A	666	SER	0	-0.050	-0.025	65.375	0.001	0.001	0.000	0.000	0.000	0.000
592	A	667	SER	0	-0.093	-0.060	67.873	0.001	0.001	0.000	0.000	0.000	0.000
593	A	668	LEU	0	-0.044	-0.014	69.966	0.001	0.001	0.000	0.000	0.000	0.000
594	A	669	ASN	0	0.008	0.009	73.373	0.002	0.002	0.000	0.000	0.000	0.000
595	A	670	THR	0	-0.026	-0.031	75.689	0.000	0.000	0.000	0.000	0.000	0.000
596	A	671	ASP	-1	-0.973	-0.960	79.049	-0.027	-0.027	0.000	0.000	0.000	0.000
597	A	672	VAL	0	0.001	-0.011	77.805	-0.001	-0.001	0.000	0.000	0.000	0.000
598	A	673	ASP	-1	-0.856	-0.905	79.762	-0.030	-0.030	0.000	0.000	0.000	0.000
599	A	674	GLU	-1	-0.892	-0.938	81.675	-0.023	-0.023	0.000	0.000	0.000	0.000
600	A	675	GLN	0	-0.072	-0.066	83.733	0.000	0.000	0.000	0.000	0.000	0.000
601	A	676	ALA	0	0.002	-0.014	86.314	0.000	0.000	0.000	0.000	0.000	0.000
602	A	677	THR	0	-0.016	0.022	89.011	0.000	0.000	0.000	0.000	0.000	0.000
603	A	678	ASP	-1	-0.931	-0.981	86.869	-0.028	-0.028	0.000	0.000	0.000	0.000
604	A	679	GLN	0	0.024	0.003	82.882	-0.001	-0.001	0.000	0.000	0.000	0.000
605	A	680	PRO	0	-0.018	-0.013	82.482	0.001	0.001	0.000	0.000	0.000	0.000
606	A	681	ILE	0	0.025	0.021	84.766	0.000	0.000	0.000	0.000	0.000	0.000
607	A	682	VAL	0	-0.046	-0.015	83.024	0.000	0.000	0.000	0.000	0.000	0.000
608	A	683	GLN	0	0.049	0.014	77.869	-0.002	-0.002	0.000	0.000	0.000	0.000
609	A	684	PRO	0	0.047	0.018	77.592	0.000	0.000	0.000	0.000	0.000	0.000
610	A	685	VAL	0	0.039	0.024	73.184	0.000	0.000	0.000	0.000	0.000	0.000
611	A	686	LEU	0	0.015	0.012	75.951	0.000	0.000	0.000	0.000	0.000	0.000
612	A	687	LEU	0	0.048	0.027	77.994	0.000	0.000	0.000	0.000	0.000	0.000
613	A	688	VAL	0	0.013	-0.001	74.094	0.000	0.000	0.000	0.000	0.000	0.000
614	A	689	MET	0	-0.023	0.002	72.058	-0.001	-0.001	0.000	0.000	0.000	0.000
615	A	690	GLN	0	-0.029	-0.029	75.665	0.000	0.000	0.000	0.000	0.000	0.000
616	A	691	ARG	1	0.854	0.943	77.392	0.037	0.037	0.000	0.000	0.000	0.000
617	A	692	THR	0	-0.039	-0.054	73.340	-0.001	-0.001	0.000	0.000	0.000	0.000
618	A	693	MET	0	0.030	0.039	72.676	-0.001	-0.001	0.000	0.000	0.000	0.000
619	A	694	PRO	0	0.021	-0.003	73.227	0.000	0.000	0.000	0.000	0.000	0.000
620	A	695	ILE	0	-0.023	-0.007	70.449	0.000	0.000	0.000	0.000	0.000	0.000
621	A	696	PHE	0	0.035	0.016	67.382	-0.002	-0.002	0.000	0.000	0.000	0.000
622	A	697	LYS	1	0.819	0.891	68.691	0.028	0.028	0.000	0.000	0.000	0.000
623	A	698	ARG	1	0.975	1.000	69.500	0.036	0.036	0.000	0.000	0.000	0.000
624	A	699	ILE	0	-0.012	-0.006	64.740	-0.001	-0.001	0.000	0.000	0.000	0.000
625	A	700	ALA	0	-0.039	-0.028	64.950	-0.001	-0.001	0.000	0.000	0.000	0.000
626	A	701	GLU	-1	-0.915	-0.970	64.908	-0.034	-0.034	0.000	0.000	0.000	0.000
627	A	702	MET	0	-0.061	0.016	63.939	-0.001	-0.001	0.000	0.000	0.000	0.000
628	A	703	TRP	0	-0.005	-0.023	58.748	-0.003	-0.003	0.000	0.000	0.000	0.000
629	A	704	VAL	0	0.063	0.050	60.866	-0.001	-0.001	0.000	0.000	0.000	0.000
630	A	705	GLU	-1	-0.836	-0.908	57.444	-0.043	-0.043	0.000	0.000	0.000	0.000
631	A	706	GLU	-1	-0.869	-0.922	55.817	-0.056	-0.056	0.000	0.000	0.000	0.000
632	A	707	ILE	0	0.033	0.008	52.400	0.001	0.001	0.000	0.000	0.000	0.000
633	A	708	ASP	-1	-0.805	-0.883	54.264	-0.061	-0.061	0.000	0.000	0.000	0.000
634	A	709	VAL	0	0.010	0.008	56.154	0.000	0.000	0.000	0.000	0.000	0.000
635	A	710	LEU	0	0.020	0.016	59.706	0.001	0.001	0.000	0.000	0.000	0.000
636	A	711	GLU	-1	-0.901	-0.961	56.322	-0.043	-0.043	0.000	0.000	0.000	0.000
637	A	712	ALA	0	0.022	0.012	59.266	0.001	0.001	0.000	0.000	0.000	0.000
638	A	713	ALA	0	0.012	0.003	60.708	0.001	0.001	0.000	0.000	0.000	0.000
639	A	714	CYS	0	-0.050	-0.023	62.161	0.002	0.002	0.000	0.000	0.000	0.000
640	A	715	SER	0	0.001	0.007	60.634	0.002	0.002	0.000	0.000	0.000	0.000
641	A	716	ALA	0	0.032	0.002	62.783	0.001	0.001	0.000	0.000	0.000	0.000
642	A	717	MET	0	-0.033	-0.007	65.979	0.002	0.002	0.000	0.000	0.000	0.000
643	A	718	LYS	1	0.881	0.930	60.458	0.040	0.040	0.000	0.000	0.000	0.000
644	A	719	HIS	0	0.038	0.033	61.524	0.002	0.002	0.000	0.000	0.000	0.000
645	A	720	ALA	0	0.013	0.011	66.616	0.001	0.001	0.000	0.000	0.000	0.000
646	A	721	ILE	0	-0.056	-0.028	69.219	0.001	0.001	0.000	0.000	0.000	0.000
647	A	722	THR	0	-0.083	-0.065	66.169	0.001	0.001	0.000	0.000	0.000	0.000
648	A	723	ASN	0	-0.044	0.004	69.180	0.002	0.002	0.000	0.000	0.000	0.000
649	A	724	LEU	0	0.041	0.025	71.266	0.001	0.001	0.000	0.000	0.000	0.000
650	A	725	ARG	1	0.940	0.958	72.512	0.027	0.027	0.000	0.000	0.000	0.000
651	A	726	SER	0	-0.012	-0.015	74.391	0.001	0.001	0.000	0.000	0.000	0.000
652	A	727	SER	0	0.028	0.019	77.987	0.001	0.001	0.000	0.000	0.000	0.000
653	A	728	PHE	0	0.032	0.014	73.061	0.000	0.000	0.000	0.000	0.000	0.000
654	A	729	GLN	0	-0.030	-0.028	77.309	0.000	0.000	0.000	0.000	0.000	0.000
655	A	730	PRO	0	0.015	0.014	79.633	0.000	0.000	0.000	0.000	0.000	0.000
656	A	731	MET	0	-0.001	0.016	75.395	0.000	0.000	0.000	0.000	0.000	0.000
657	A	732	LEU	0	0.033	0.018	75.505	-0.001	-0.001	0.000	0.000	0.000	0.000
658	A	733	GLN	0	0.056	0.027	75.874	0.001	0.001	0.000	0.000	0.000	0.000
659	A	734	ASP	-1	-0.798	-0.912	76.871	-0.027	-0.027	0.000	0.000	0.000	0.000
660	A	735	LEU	0	0.012	0.012	69.855	-0.001	-0.001	0.000	0.000	0.000	0.000
661	A	736	CYS	0	-0.049	-0.022	72.124	0.000	0.000	0.000	0.000	0.000	0.000
662	A	737	LEU	0	-0.012	-0.007	73.250	0.000	0.000	0.000	0.000	0.000	0.000
663	A	738	PHE	0	-0.064	-0.028	66.815	0.000	0.000	0.000	0.000	0.000	0.000
664	A	739	ILE	0	0.021	0.009	67.859	-0.001	-0.001	0.000	0.000	0.000	0.000
665	A	740	VAL	0	0.015	-0.002	68.646	0.000	0.000	0.000	0.000	0.000	0.000
666	A	741	ALA	0	-0.049	-0.020	70.240	0.000	0.000	0.000	0.000	0.000	0.000
667	A	742	SER	0	-0.009	0.018	64.807	-0.001	-0.001	0.000	0.000	0.000	0.000
668	A	743	PHE	0	-0.013	-0.022	64.326	-0.001	-0.001	0.000	0.000	0.000	0.000
669	A	744	GLN	0	-0.009	0.006	66.178	0.001	0.001	0.000	0.000	0.000	0.000
670	A	745	THR	0	-0.040	-0.033	65.127	-0.002	-0.002	0.000	0.000	0.000	0.000
671	A	746	ARG	1	0.804	0.906	56.827	0.038	0.038	0.000	0.000	0.000	0.000
672	A	747	CYS	0	-0.015	-0.005	60.836	0.002	0.002	0.000	0.000	0.000	0.000
673	A	748	CYS	0	0.024	0.011	58.480	-0.002	-0.002	0.000	0.000	0.000	0.000
674	A	749	ALA	0	0.105	0.051	56.242	0.002	0.002	0.000	0.000	0.000	0.000
675	A	750	PRO	0	0.074	0.031	57.639	0.002	0.002	0.000	0.000	0.000	0.000
676	A	751	THR	0	0.028	0.011	60.317	0.000	0.000	0.000	0.000	0.000	0.000
677	A	752	LEU	0	-0.024	0.009	59.450	0.002	0.002	0.000	0.000	0.000	0.000
678	A	753	GLU	-1	-0.738	-0.860	59.089	-0.033	-0.033	0.000	0.000	0.000	0.000
679	A	754	ILE	0	-0.021	0.003	62.214	0.001	0.001	0.000	0.000	0.000	0.000
680	A	755	SER	0	0.008	-0.015	65.409	0.002	0.002	0.000	0.000	0.000	0.000
681	A	756	LYS	1	0.781	0.889	60.853	0.033	0.033	0.000	0.000	0.000	0.000
682	A	757	THR	0	-0.037	-0.041	64.495	0.001	0.001	0.000	0.000	0.000	0.000
683	A	758	ALA	0	0.038	0.028	66.997	0.001	0.001	0.000	0.000	0.000	0.000
684	A	759	ILE	0	0.023	-0.005	68.752	0.001	0.001	0.000	0.000	0.000	0.000
685	A	760	VAL	0	-0.082	-0.055	66.690	0.001	0.001	0.000	0.000	0.000	0.000
686	A	761	MET	0	-0.046	-0.007	69.717	0.001	0.001	0.000	0.000	0.000	0.000
687	A	762	PHE	0	0.070	0.024	72.172	0.001	0.001	0.000	0.000	0.000	0.000
688	A	763	PHE	0	-0.044	-0.028	73.877	0.001	0.001	0.000	0.000	0.000	0.000
689	A	764	LYS	1	0.902	0.960	72.480	0.019	0.019	0.000	0.000	0.000	0.000
690	A	765	ASP	-1	-0.849	-0.928	77.656	-0.015	-0.015	0.000	0.000	0.000	0.000
691	A	766	GLU	-1	-0.854	-0.929	80.950	-0.019	-0.019	0.000	0.000	0.000	0.000
692	A	767	GLY	0	-0.011	0.002	83.129	0.000	0.000	0.000	0.000	0.000	0.000
693	A	768	CYS	0	0.012	0.007	78.010	-0.001	-0.001	0.000	0.000	0.000	0.000
694	A	769	LYS	1	0.792	0.890	77.942	0.014	0.014	0.000	0.000	0.000	0.000
695	A	770	PRO	0	0.028	0.014	78.133	0.000	0.000	0.000	0.000	0.000	0.000
696	A	771	LEU	0	0.030	0.025	77.483	0.000	0.000	0.000	0.000	0.000	0.000
697	A	772	MET	0	-0.002	0.005	73.641	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	773	GLN	0	-0.038	-0.028	73.509	0.000	0.000	0.000	0.000	0.000	0.000
699	A	774	GLN	0	-0.017	-0.001	74.498	0.000	0.000	0.000	0.000	0.000	0.000
700	A	775	LEU	0	0.017	0.008	70.713	0.000	0.000	0.000	0.000	0.000	0.000
701	A	776	LEU	0	0.009	0.005	69.398	0.000	0.000	0.000	0.000	0.000	0.000
702	A	777	ARG	1	0.901	0.941	69.873	0.012	0.012	0.000	0.000	0.000	0.000
703	A	778	GLU	-1	-0.859	-0.935	70.727	-0.017	-0.017	0.000	0.000	0.000	0.000
704	A	779	PHE	0	-0.031	-0.003	63.638	0.000	0.000	0.000	0.000	0.000	0.000
705	A	780	ILE	0	-0.020	0.003	65.872	0.000	0.000	0.000	0.000	0.000	0.000
706	A	781	GLN	0	-0.028	-0.015	66.066	0.000	0.000	0.000	0.000	0.000	0.000
707	A	782	HIS	0	0.054	0.016	65.826	0.000	0.000	0.000	0.000	0.000	0.000
708	A	783	SER	0	0.023	0.002	62.074	-0.001	-0.001	0.000	0.000	0.000	0.000
709	A	784	PHE	0	-0.045	-0.029	62.018	0.001	0.001	0.000	0.000	0.000	0.000
710	A	785	LYS	1	0.863	0.939	63.083	0.018	0.018	0.000	0.000	0.000	0.000
711	A	786	LEU	0	0.016	0.015	57.839	0.000	0.000	0.000	0.000	0.000	0.000
712	A	787	PHE	0	-0.011	-0.010	57.794	0.000	0.000	0.000	0.000	0.000	0.000
713	A	788	GLU	-1	-0.875	-0.893	59.004	-0.007	-0.007	0.000	0.000	0.000	0.000
714	A	789	SER	0	-0.058	-0.017	56.562	0.000	0.000	0.000	0.000	0.000	0.000
715	A	790	THR	0	-0.033	-0.046	53.333	0.000	0.000	0.000	0.000	0.000	0.000
716	A	791	PRO	0	0.001	0.000	53.269	-0.002	-0.002	0.000	0.000	0.000	0.000
717	A	792	GLU	-1	-0.822	-0.905	49.322	-0.005	-0.005	0.000	0.000	0.000	0.000
718	A	793	GLN	0	-0.004	-0.001	47.013	-0.004	-0.004	0.000	0.000	0.000	0.000
719	A	794	ASN	0	0.030	0.009	49.774	-0.002	-0.002	0.000	0.000	0.000	0.000
720	A	795	PHE	0	-0.038	-0.015	46.326	-0.002	-0.002	0.000	0.000	0.000	0.000
721	A	796	SER	0	-0.011	-0.001	45.884	-0.002	-0.002	0.000	0.000	0.000	0.000
722	A	797	ASN	0	-0.026	-0.012	47.965	-0.002	-0.002	0.000	0.000	0.000	0.000
723	A	798	ILE	0	-0.027	-0.014	49.525	-0.002	-0.002	0.000	0.000	0.000	0.000
724	A	799	SER	0	0.002	-0.009	47.738	0.001	0.001	0.000	0.000	0.000	0.000
725	A	800	ASP	-1	-0.807	-0.895	50.220	-0.038	-0.038	0.000	0.000	0.000	0.000
726	A	801	THR	0	-0.020	-0.020	51.653	0.001	0.001	0.000	0.000	0.000	0.000
727	A	802	MET	0	-0.033	0.001	53.524	0.002	0.002	0.000	0.000	0.000	0.000
728	A	803	GLU	-1	-0.913	-0.960	50.226	-0.035	-0.035	0.000	0.000	0.000	0.000
729	A	804	THR	0	-0.005	0.004	53.939	0.000	0.000	0.000	0.000	0.000	0.000
730	A	805	PHE	0	0.012	0.012	56.438	0.001	0.001	0.000	0.000	0.000	0.000
731	A	806	PHE	0	0.047	0.009	56.416	0.001	0.001	0.000	0.000	0.000	0.000
732	A	807	GLY	0	0.026	0.036	57.479	0.001	0.001	0.000	0.000	0.000	0.000
733	A	808	CYS	0	-0.047	-0.022	58.179	0.000	0.000	0.000	0.000	0.000	0.000
734	A	809	LEU	0	0.022	-0.002	61.432	0.001	0.001	0.000	0.000	0.000	0.000
735	A	810	THR	0	-0.037	-0.031	59.468	0.002	0.002	0.000	0.000	0.000	0.000
736	A	811	GLN	0	0.000	-0.003	61.464	0.000	0.000	0.000	0.000	0.000	0.000
737	A	812	ILE	0	0.009	0.007	63.192	0.000	0.000	0.000	0.000	0.000	0.000
738	A	813	ILE	0	-0.007	0.010	65.060	0.001	0.001	0.000	0.000	0.000	0.000
739	A	814	LYS	1	0.808	0.896	64.013	0.014	0.014	0.000	0.000	0.000	0.000
740	A	815	LYS	1	0.938	0.981	66.086	0.024	0.024	0.000	0.000	0.000	0.000
741	A	816	ILE	0	-0.052	-0.024	68.720	0.000	0.000	0.000	0.000	0.000	0.000
742	A	817	PRO	0	0.043	0.018	71.175	0.000	0.000	0.000	0.000	0.000	0.000
743	A	818	GLN	0	0.040	0.012	72.608	0.000	0.000	0.000	0.000	0.000	0.000
744	A	819	VAL	0	0.019	0.018	70.078	0.000	0.000	0.000	0.000	0.000	0.000
745	A	820	LEU	0	-0.008	-0.010	68.814	0.000	0.000	0.000	0.000	0.000	0.000
746	A	821	GLU	-1	-0.851	-0.894	72.798	-0.005	-0.005	0.000	0.000	0.000	0.000
747	A	822	ASP	-1	-0.791	-0.855	74.755	-0.010	-0.010	0.000	0.000	0.000	0.000
748	A	823	LYS	1	0.838	0.898	74.939	0.006	0.006	0.000	0.000	0.000	0.000
749	A	824	THR	0	-0.046	-0.029	75.820	0.001	0.001	0.000	0.000	0.000	0.000
750	A	825	LEU	0	-0.045	-0.022	70.286	0.000	0.000	0.000	0.000	0.000	0.000
751	A	826	ALA	0	0.006	0.005	69.220	0.001	0.001	0.000	0.000	0.000	0.000
752	A	827	TYR	0	0.002	-0.030	67.918	-0.001	-0.001	0.000	0.000	0.000	0.000
753	A	828	ASP	-1	-0.823	-0.911	66.353	-0.001	-0.001	0.000	0.000	0.000	0.000
754	A	829	ARG	1	0.817	0.887	64.591	0.007	0.007	0.000	0.000	0.000	0.000
755	A	830	LEU	0	-0.009	0.008	62.446	0.000	0.000	0.000	0.000	0.000	0.000
756	A	831	VAL	0	0.036	0.018	61.681	-0.001	-0.001	0.000	0.000	0.000	0.000
757	A	832	PHE	0	-0.022	-0.004	59.100	0.000	0.000	0.000	0.000	0.000	0.000
758	A	833	TYR	0	0.003	-0.030	58.569	0.001	0.001	0.000	0.000	0.000	0.000
759	A	834	ALA	0	0.043	0.032	57.164	-0.001	-0.001	0.000	0.000	0.000	0.000
760	A	835	GLN	0	-0.024	-0.023	55.961	0.001	0.001	0.000	0.000	0.000	0.000
761	A	836	ARG	1	0.953	0.970	54.214	0.007	0.007	0.000	0.000	0.000	0.000
762	A	837	GLY	0	0.056	0.020	52.772	-0.001	-0.001	0.000	0.000	0.000	0.000
763	A	838	MET	0	-0.122	-0.058	51.597	-0.001	-0.001	0.000	0.000	0.000	0.000
764	A	839	THR	0	-0.031	-0.019	48.862	0.002	0.002	0.000	0.000	0.000	0.000
765	A	840	LEU	0	-0.039	0.000	47.704	0.001	0.001	0.000	0.000	0.000	0.000
766	A	841	PRO	0	-0.001	0.006	42.922	0.001	0.001	0.000	0.000	0.000	0.000
767	A	842	GLU	-1	-0.809	-0.906	44.272	-0.029	-0.029	0.000	0.000	0.000	0.000
768	A	843	SER	0	-0.040	-0.046	44.355	0.002	0.002	0.000	0.000	0.000	0.000
769	A	844	GLY	0	0.069	0.038	46.275	0.003	0.003	0.000	0.000	0.000	0.000
770	A	845	ALA	0	0.066	0.032	49.407	0.002	0.002	0.000	0.000	0.000	0.000
771	A	846	ILE	0	-0.013	0.031	46.262	0.003	0.003	0.000	0.000	0.000	0.000
772	A	847	ARG	1	0.836	0.907	50.042	0.018	0.018	0.000	0.000	0.000	0.000
773	A	848	ASN	0	0.018	-0.022	51.718	0.002	0.002	0.000	0.000	0.000	0.000
774	A	849	SER	0	0.019	0.004	53.909	0.001	0.001	0.000	0.000	0.000	0.000
775	A	850	ILE	0	-0.007	-0.007	51.362	0.002	0.002	0.000	0.000	0.000	0.000
776	A	851	GLN	0	-0.058	-0.010	55.127	0.003	0.003	0.000	0.000	0.000	0.000
777	A	852	PHE	0	0.052	0.028	57.357	0.001	0.001	0.000	0.000	0.000	0.000
778	A	853	LEU	0	0.032	0.004	57.489	0.001	0.001	0.000	0.000	0.000	0.000
779	A	854	THR	0	-0.072	-0.049	58.012	0.002	0.002	0.000	0.000	0.000	0.000
780	A	855	HIS	0	-0.001	-0.027	60.507	0.001	0.001	0.000	0.000	0.000	0.000
781	A	856	PHE	0	0.030	0.030	63.202	0.000	0.000	0.000	0.000	0.000	0.000
782	A	857	VAL	0	0.056	0.027	62.788	0.001	0.001	0.000	0.000	0.000	0.000
783	A	858	MET	0	-0.097	-0.045	63.935	0.001	0.001	0.000	0.000	0.000	0.000
784	A	859	GLN	0	0.024	0.004	66.623	0.000	0.000	0.000	0.000	0.000	0.000
785	A	860	SER	0	0.022	0.005	68.129	0.000	0.000	0.000	0.000	0.000	0.000
786	A	861	ARG	1	0.882	0.935	70.218	-0.003	-0.003	0.000	0.000	0.000	0.000
787	A	862	ASN	0	-0.049	-0.018	72.019	0.001	0.001	0.000	0.000	0.000	0.000
788	A	863	HIS	0	-0.003	0.001	73.375	0.000	0.000	0.000	0.000	0.000	0.000
789	A	864	ALA	0	0.053	0.019	74.415	0.000	0.000	0.000	0.000	0.000	0.000
790	A	865	HIS	0	0.047	0.017	73.839	0.001	0.001	0.000	0.000	0.000	0.000
791	A	866	VAL	0	0.023	0.020	69.636	0.000	0.000	0.000	0.000	0.000	0.000
792	A	867	THR	0	0.012	0.019	70.639	0.001	0.001	0.000	0.000	0.000	0.000
793	A	868	GLU	-1	-0.909	-0.940	71.277	0.005	0.005	0.000	0.000	0.000	0.000
794	A	869	VAL	0	0.023	0.009	67.402	0.001	0.001	0.000	0.000	0.000	0.000
795	A	870	VAL	0	-0.052	-0.023	65.874	0.001	0.001	0.000	0.000	0.000	0.000
796	A	871	LEU	0	-0.030	-0.023	66.497	0.001	0.001	0.000	0.000	0.000	0.000
797	A	872	ALA	0	-0.007	0.012	67.855	0.001	0.001	0.000	0.000	0.000	0.000
798	A	873	THR	0	-0.043	-0.032	63.412	0.001	0.001	0.000	0.000	0.000	0.000
799	A	874	GLY	0	0.044	0.021	62.554	0.000	0.000	0.000	0.000	0.000	0.000
800	A	875	GLU	-1	-0.917	-0.965	60.964	0.018	0.018	0.000	0.000	0.000	0.000
801	A	876	GLN	0	0.047	0.008	59.465	0.000	0.000	0.000	0.000	0.000	0.000
802	A	877	THR	0	0.026	0.026	57.834	0.000	0.000	0.000	0.000	0.000	0.000
803	A	878	LEU	0	-0.039	-0.027	56.712	0.000	0.000	0.000	0.000	0.000	0.000
804	A	879	TYR	0	0.025	0.016	52.900	0.002	0.002	0.000	0.000	0.000	0.000
805	A	880	THR	0	0.008	-0.008	53.348	0.001	0.001	0.000	0.000	0.000	0.000
806	A	881	ALA	0	-0.014	-0.005	52.021	0.000	0.000	0.000	0.000	0.000	0.000
807	A	882	MET	0	-0.004	-0.011	50.961	0.001	0.001	0.000	0.000	0.000	0.000
808	A	883	MET	0	0.021	0.045	49.350	0.004	0.004	0.000	0.000	0.000	0.000
809	A	884	CYS	0	-0.055	-0.008	47.584	0.001	0.001	0.000	0.000	0.000	0.000
810	A	885	VAL	0	0.000	-0.010	46.279	0.000	0.000	0.000	0.000	0.000	0.000
811	A	886	GLY	0	-0.018	-0.002	45.189	0.002	0.002	0.000	0.000	0.000	0.000
812	A	887	TYR	0	-0.020	-0.059	42.933	0.004	0.004	0.000	0.000	0.000	0.000
813	A	888	LEU	0	-0.004	0.012	42.894	-0.001	-0.001	0.000	0.000	0.000	0.000
814	A	889	THR	0	0.005	0.033	44.137	-0.004	-0.004	0.000	0.000	0.000	0.000
815	A	890	PRO	0	0.074	0.025	39.904	0.005	0.005	0.000	0.000	0.000	0.000
816	A	891	ARG	1	0.967	0.971	38.255	-0.018	-0.018	0.000	0.000	0.000	0.000
817	A	892	SER	0	0.003	0.010	38.872	0.002	0.002	0.000	0.000	0.000	0.000
818	A	893	GLN	0	0.011	-0.001	40.797	-0.005	-0.005	0.000	0.000	0.000	0.000
819	A	894	VAL	0	0.044	0.029	43.652	0.001	0.001	0.000	0.000	0.000	0.000
820	A	895	ASP	-1	-0.846	-0.917	44.416	-0.009	-0.009	0.000	0.000	0.000	0.000
821	A	896	LYS	1	0.845	0.926	44.417	0.019	0.019	0.000	0.000	0.000	0.000
822	A	897	PHE	0	0.066	0.019	47.886	0.000	0.000	0.000	0.000	0.000	0.000
823	A	898	ALA	0	0.004	0.005	51.450	0.001	0.001	0.000	0.000	0.000	0.000
824	A	899	ASP	-1	-0.786	-0.864	53.253	-0.008	-0.008	0.000	0.000	0.000	0.000
825	A	900	ILE	0	0.071	0.039	55.089	0.000	0.000	0.000	0.000	0.000	0.000
826	A	901	LEU	0	0.017	0.015	53.583	0.001	0.001	0.000	0.000	0.000	0.000
827	A	902	LEU	0	0.049	0.020	56.846	0.001	0.001	0.000	0.000	0.000	0.000
828	A	903	ALA	0	-0.076	-0.018	59.452	0.000	0.000	0.000	0.000	0.000	0.000
829	A	904	MET	0	0.038	0.017	60.449	0.000	0.000	0.000	0.000	0.000	0.000
830	A	905	ASN	0	0.051	0.043	60.692	0.000	0.000	0.000	0.000	0.000	0.000
831	A	906	ARG	1	0.841	0.881	60.196	0.002	0.002	0.000	0.000	0.000	0.000
832	A	907	LYS	1	0.839	0.926	65.619	0.002	0.002	0.000	0.000	0.000	0.000
833	A	908	TYR	0	0.014	-0.002	66.239	0.000	0.000	0.000	0.000	0.000	0.000
834	A	909	ALA	0	0.025	0.023	65.076	0.001	0.001	0.000	0.000	0.000	0.000
835	A	910	ALA	0	-0.001	0.007	65.274	0.001	0.001	0.000	0.000	0.000	0.000
836	A	911	GLU	-1	-0.833	-0.924	66.262	0.012	0.012	0.000	0.000	0.000	0.000
837	A	912	MET	0	-0.036	0.002	59.365	0.001	0.001	0.000	0.000	0.000	0.000
838	A	913	ALA	0	-0.019	-0.010	61.573	0.002	0.002	0.000	0.000	0.000	0.000
839	A	914	VAL	0	0.037	0.006	62.311	0.002	0.002	0.000	0.000	0.000	0.000
840	A	915	TRP	0	0.042	0.036	61.563	0.001	0.001	0.000	0.000	0.000	0.000
841	A	916	MET	0	-0.014	0.003	55.111	0.001	0.001	0.000	0.000	0.000	0.000
842	A	917	LYS	1	0.935	0.970	57.994	-0.028	-0.028	0.000	0.000	0.000	0.000
843	A	918	SER	0	0.029	0.016	59.254	0.003	0.003	0.000	0.000	0.000	0.000
844	A	919	LEU	0	-0.010	0.006	56.799	0.002	0.002	0.000	0.000	0.000	0.000
845	A	920	MET	0	-0.062	-0.019	52.171	0.001	0.001	0.000	0.000	0.000	0.000
846	A	921	SER	0	-0.106	-0.083	54.555	0.003	0.003	0.000	0.000	0.000	0.000
847	A	922	THR	0	-0.035	-0.026	56.637	0.002	0.002	0.000	0.000	0.000	0.000
848	A	923	PRO	0	-0.026	0.009	53.430	0.001	0.001	0.000	0.000	0.000	0.000
849	A	924	ASN	0	0.003	-0.007	52.079	0.000	0.000	0.000	0.000	0.000	0.000
850	A	925	PHE	0	0.007	-0.023	47.779	0.003	0.003	0.000	0.000	0.000	0.000
851	A	926	PRO	0	-0.014	0.014	49.237	-0.002	-0.002	0.000	0.000	0.000	0.000
852	A	927	THR	0	0.013	-0.001	43.394	-0.001	-0.001	0.000	0.000	0.000	0.000
853	A	928	GLN	0	-0.011	-0.002	43.361	0.000	0.000	0.000	0.000	0.000	0.000
854	A	929	LEU	0	0.001	0.018	38.906	0.003	0.003	0.000	0.000	0.000	0.000
855	A	930	ILE	0	-0.044	-0.006	42.281	0.003	0.003	0.000	0.000	0.000	0.000
856	A	931	THR	0	0.034	0.014	44.271	0.000	0.000	0.000	0.000	0.000	0.000
857	A	932	ASP	-1	-0.767	-0.882	46.392	0.051	0.051	0.000	0.000	0.000	0.000
858	A	933	ALA	0	-0.007	0.005	49.388	-0.004	-0.004	0.000	0.000	0.000	0.000
859	A	934	ASP	-1	-0.801	-0.899	45.386	0.057	0.057	0.000	0.000	0.000	0.000
860	A	935	LYS	1	0.933	0.970	48.627	-0.050	-0.050	0.000	0.000	0.000	0.000
861	A	936	THR	0	-0.019	-0.010	49.975	-0.005	-0.005	0.000	0.000	0.000	0.000
862	A	937	ARG	1	0.848	0.913	46.281	-0.053	-0.053	0.000	0.000	0.000	0.000
863	A	938	TYR	0	-0.020	-0.047	45.812	-0.001	-0.001	0.000	0.000	0.000	0.000
864	A	939	THR	0	-0.004	-0.018	51.496	-0.004	-0.004	0.000	0.000	0.000	0.000
865	A	940	ALA	0	-0.056	-0.032	54.463	-0.003	-0.003	0.000	0.000	0.000	0.000
866	A	941	LEU	0	-0.035	-0.013	51.426	-0.002	-0.002	0.000	0.000	0.000	0.000
867	A	942	ILE	0	-0.024	-0.018	51.640	-0.003	-0.003	0.000	0.000	0.000	0.000
868	A	943	ILE	0	-0.026	-0.015	55.659	-0.002	-0.002	0.000	0.000	0.000	0.000
869	A	944	LYS	1	0.878	0.947	57.123	-0.021	-0.021	0.000	0.000	0.000	0.000
870	A	945	GLU	-1	-0.856	-0.911	55.872	0.012	0.012	0.000	0.000	0.000	0.000
871	A	946	LYS	1	0.867	0.936	58.963	-0.008	-0.008	0.000	0.000	0.000	0.000
872	A	947	VAL	0	-0.004	-0.002	60.537	-0.002	-0.002	0.000	0.000	0.000	0.000
873	A	948	ASN	0	-0.029	-0.015	55.722	-0.004	-0.004	0.000	0.000	0.000	0.000
874	A	949	LYS	1	0.934	0.938	52.109	0.011	0.011	0.000	0.000	0.000	0.000
875	A	950	ARG	1	0.910	0.945	46.038	-0.002	-0.002	0.000	0.000	0.000	0.000
876	A	951	LEU	0	0.039	0.017	50.155	0.001	0.001	0.000	0.000	0.000	0.000
877	A	952	LEU	0	0.047	0.028	50.804	0.003	0.003	0.000	0.000	0.000	0.000
878	A	953	GLN	0	-0.021	-0.025	48.019	0.001	0.001	0.000	0.000	0.000	0.000
879	A	954	GLN	0	0.023	0.033	44.728	-0.004	-0.004	0.000	0.000	0.000	0.000
880	A	955	HIS	0	-0.024	-0.030	46.241	0.002	0.002	0.000	0.000	0.000	0.000
881	A	956	LEU	0	0.041	0.020	47.555	0.003	0.003	0.000	0.000	0.000	0.000
882	A	957	SER	0	-0.012	-0.001	43.260	0.001	0.001	0.000	0.000	0.000	0.000
883	A	958	GLU	-1	-0.840	-0.896	42.693	0.037	0.037	0.000	0.000	0.000	0.000
884	A	959	MET	0	-0.003	-0.002	43.062	0.004	0.004	0.000	0.000	0.000	0.000
885	A	960	ALA	0	0.027	0.018	43.222	0.004	0.004	0.000	0.000	0.000	0.000
886	A	961	MET	0	-0.050	-0.021	36.182	0.000	0.000	0.000	0.000	0.000	0.000
887	A	962	LYS	1	0.927	0.969	39.558	-0.064	-0.064	0.000	0.000	0.000	0.000
888	A	963	THR	0	-0.057	-0.043	41.531	0.004	0.004	0.000	0.000	0.000	0.000
889	A	964	ARG	1	0.811	0.902	38.707	-0.021	-0.021	0.000	0.000	0.000	0.000
890	A	965	GLY	0	0.003	0.018	38.005	0.004	0.004	0.000	0.000	0.000	0.000
891	A	966	LEU	0	-0.035	-0.008	34.645	0.006	0.006	0.000	0.000	0.000	0.000
892	A	967	THR	0	-0.038	-0.020	30.337	0.000	0.000	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:54:GLN)