FMO DATABASE

FMODB ID: K9443

Calculation Name: 3KSY-A-Xray372

Preferred Name: Son of sevenless homolog 1

Target Type: SINGLE PROTEIN

Ligand Name:

ligand 3-letter code:

PDB ID: 3KSY

Chain ID: A

ChEMBL ID: CHEMBL2079846

UniProt ID: Q07889

Base Structure: X-ray

Registration Date: 2023-09-20

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	1010
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-29324890.056316
FMO2-HF: Nuclear repulsion	28913201.596725
FMO2-HF: Total energy	-411688.45959
FMO2-MP2: Total energy	-412889.033006

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:6:LEU)

Summations of interaction energy for fragment #1(A:6:LEU)

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.
-5.575	-4.203	-0.012	-0.595	-0.765	0.003

Interaction energy analysis for fragmet #1(A:6:LEU)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.042 / q_NPA : -0.038

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	8	TYR	0	0.037	0.025	3.839	-2.257	-0.885	-0.012	-0.595	-0.765	0.003
4	A	9	GLU	-1	-0.860	-0.926	5.566	-1.288	-1.288	0.000	0.000	0.000	0.000
5	A	10	PHE	0	0.034	-0.010	7.601	0.147	0.147	0.000	0.000	0.000	0.000
6	A	11	PHE	0	-0.075	0.011	11.180	0.115	0.115	0.000	0.000	0.000	0.000
7	A	12	SER	0	0.010	-0.027	9.136	0.094	0.094	0.000	0.000	0.000	0.000
8	A	13	GLU	-1	-0.944	-1.002	8.447	-0.943	-0.943	0.000	0.000	0.000	0.000
9	A	14	GLU	-1	-0.965	-0.949	8.880	-1.372	-1.372	0.000	0.000	0.000	0.000
10	A	15	ASN	0	-0.014	-0.016	11.022	0.220	0.220	0.000	0.000	0.000	0.000
11	A	16	ALA	0	0.082	0.048	13.562	0.009	0.009	0.000	0.000	0.000	0.000
12	A	17	PRO	0	-0.053	-0.031	15.545	0.048	0.048	0.000	0.000	0.000	0.000
13	A	18	LYS	1	0.856	0.913	15.856	0.584	0.584	0.000	0.000	0.000	0.000
14	A	19	TRP	0	-0.004	-0.002	12.970	0.072	0.072	0.000	0.000	0.000	0.000
15	A	20	ARG	1	0.963	0.993	16.395	0.355	0.355	0.000	0.000	0.000	0.000
16	A	21	GLY	0	-0.006	0.012	20.372	0.029	0.029	0.000	0.000	0.000	0.000
17	A	22	LEU	0	-0.088	-0.048	19.573	0.016	0.016	0.000	0.000	0.000	0.000
18	A	23	LEU	0	0.037	0.025	19.550	0.022	0.022	0.000	0.000	0.000	0.000
19	A	24	VAL	0	0.059	0.048	23.678	0.022	0.022	0.000	0.000	0.000	0.000
20	A	25	PRO	0	-0.036	-0.027	25.963	0.015	0.015	0.000	0.000	0.000	0.000
21	A	26	ALA	0	-0.002	0.005	26.654	0.011	0.011	0.000	0.000	0.000	0.000
22	A	27	LEU	0	0.039	0.003	23.989	0.014	0.014	0.000	0.000	0.000	0.000
23	A	28	LYS	1	0.969	0.992	28.386	0.094	0.094	0.000	0.000	0.000	0.000
24	A	29	LYS	1	0.896	0.949	31.499	0.088	0.088	0.000	0.000	0.000	0.000
25	A	30	VAL	0	0.030	0.021	29.027	0.007	0.007	0.000	0.000	0.000	0.000
26	A	31	GLN	0	0.031	0.004	32.214	0.001	0.001	0.000	0.000	0.000	0.000
27	A	32	GLY	0	-0.004	-0.001	33.745	0.005	0.005	0.000	0.000	0.000	0.000
28	A	33	GLN	0	-0.055	-0.030	34.611	0.007	0.007	0.000	0.000	0.000	0.000
29	A	34	VAL	0	-0.031	0.005	33.450	0.005	0.005	0.000	0.000	0.000	0.000
30	A	35	HIS	0	-0.032	-0.002	35.570	0.003	0.003	0.000	0.000	0.000	0.000
31	A	36	PRO	0	-0.015	-0.002	38.536	-0.004	-0.004	0.000	0.000	0.000	0.000
32	A	37	THR	0	-0.045	-0.035	40.756	0.000	0.000	0.000	0.000	0.000	0.000
33	A	38	LEU	0	-0.048	0.008	36.995	0.001	0.001	0.000	0.000	0.000	0.000
34	A	39	GLU	-1	-0.861	-0.919	38.345	-0.051	-0.051	0.000	0.000	0.000	0.000
35	A	40	SER	0	-0.075	-0.031	33.463	-0.001	-0.001	0.000	0.000	0.000	0.000
36	A	41	ASN	0	0.059	0.015	32.535	-0.006	-0.006	0.000	0.000	0.000	0.000
37	A	42	ASP	-1	-0.905	-0.952	29.413	-0.106	-0.106	0.000	0.000	0.000	0.000
38	A	43	ASP	-1	-0.916	-0.964	27.861	-0.098	-0.098	0.000	0.000	0.000	0.000
39	A	44	ALA	0	-0.007	-0.013	27.035	-0.002	-0.002	0.000	0.000	0.000	0.000
40	A	45	LEU	0	-0.021	-0.022	26.748	-0.001	-0.001	0.000	0.000	0.000	0.000
41	A	46	GLN	0	-0.004	-0.006	23.655	-0.010	-0.010	0.000	0.000	0.000	0.000
42	A	47	TYR	0	0.002	0.006	22.222	-0.009	-0.009	0.000	0.000	0.000	0.000
43	A	48	VAL	0	0.015	0.001	22.104	0.003	0.003	0.000	0.000	0.000	0.000
44	A	49	GLU	-1	-0.862	-0.950	20.465	-0.212	-0.212	0.000	0.000	0.000	0.000
45	A	50	GLU	-1	-0.917	-0.962	17.768	-0.206	-0.206	0.000	0.000	0.000	0.000
46	A	51	LEU	0	-0.033	-0.002	17.200	0.005	0.005	0.000	0.000	0.000	0.000
47	A	52	ILE	0	-0.020	-0.013	18.132	0.016	0.016	0.000	0.000	0.000	0.000
48	A	53	LEU	0	0.012	-0.005	14.786	0.007	0.007	0.000	0.000	0.000	0.000
49	A	54	GLN	0	0.007	0.015	12.196	-0.096	-0.096	0.000	0.000	0.000	0.000
50	A	55	LEU	0	-0.025	-0.015	13.801	0.059	0.059	0.000	0.000	0.000	0.000
51	A	56	LEU	0	0.005	-0.008	14.205	0.048	0.048	0.000	0.000	0.000	0.000
52	A	57	ASN	0	0.017	0.019	7.625	0.015	0.015	0.000	0.000	0.000	0.000
53	A	58	MET	0	0.004	0.007	10.757	0.116	0.116	0.000	0.000	0.000	0.000
54	A	59	LEU	0	-0.056	-0.029	12.290	0.098	0.098	0.000	0.000	0.000	0.000
55	A	60	CYS	0	-0.030	-0.017	11.020	0.016	0.016	0.000	0.000	0.000	0.000
56	A	61	GLN	0	0.011	0.014	8.072	-0.243	-0.243	0.000	0.000	0.000	0.000
57	A	62	ALA	0	-0.054	-0.038	9.782	0.177	0.177	0.000	0.000	0.000	0.000
58	A	63	GLN	0	-0.052	-0.025	7.258	-0.067	-0.067	0.000	0.000	0.000	0.000
59	A	64	PRO	0	0.078	0.051	12.159	-0.015	-0.015	0.000	0.000	0.000	0.000
60	A	65	ARG	1	0.930	0.977	13.831	-0.058	-0.058	0.000	0.000	0.000	0.000
61	A	66	SER	0	0.020	0.011	17.693	-0.028	-0.028	0.000	0.000	0.000	0.000
62	A	67	ALA	0	0.004	-0.017	20.573	0.007	0.007	0.000	0.000	0.000	0.000
63	A	68	SER	0	0.028	0.021	23.070	0.000	0.000	0.000	0.000	0.000	0.000
64	A	69	ASP	-1	-0.853	-0.919	18.464	0.130	0.130	0.000	0.000	0.000	0.000
65	A	70	VAL	0	-0.070	-0.040	18.332	0.026	0.026	0.000	0.000	0.000	0.000
66	A	71	GLU	-1	-0.900	-0.948	19.774	0.086	0.086	0.000	0.000	0.000	0.000
67	A	72	GLU	-1	-0.926	-0.963	20.457	0.196	0.196	0.000	0.000	0.000	0.000
68	A	73	ARG	1	0.859	0.935	14.079	-0.427	-0.427	0.000	0.000	0.000	0.000
69	A	74	VAL	0	-0.021	-0.007	18.929	0.018	0.018	0.000	0.000	0.000	0.000
70	A	75	GLN	0	0.021	0.001	21.523	0.014	0.014	0.000	0.000	0.000	0.000
71	A	76	LYS	1	0.897	0.970	19.819	-0.279	-0.279	0.000	0.000	0.000	0.000
72	A	77	SER	0	-0.077	-0.046	18.138	0.002	0.002	0.000	0.000	0.000	0.000
73	A	78	PHE	0	-0.022	-0.009	20.149	-0.008	-0.008	0.000	0.000	0.000	0.000
74	A	79	PRO	0	0.055	0.030	22.868	-0.003	-0.003	0.000	0.000	0.000	0.000
75	A	80	HIS	0	0.048	0.076	25.740	-0.018	-0.018	0.000	0.000	0.000	0.000
76	A	81	PRO	0	-0.020	-0.051	29.391	-0.001	-0.001	0.000	0.000	0.000	0.000
77	A	82	ILE	0	-0.035	-0.028	26.123	-0.006	-0.006	0.000	0.000	0.000	0.000
78	A	83	ASP	-1	-0.797	-0.911	25.755	0.102	0.102	0.000	0.000	0.000	0.000
79	A	84	LYS	1	0.950	0.972	27.164	-0.068	-0.068	0.000	0.000	0.000	0.000
80	A	85	TRP	0	-0.041	-0.028	30.410	-0.009	-0.009	0.000	0.000	0.000	0.000
81	A	86	ALA	0	0.026	0.025	26.111	-0.009	-0.009	0.000	0.000	0.000	0.000
82	A	87	ILE	0	-0.018	-0.010	25.709	-0.011	-0.011	0.000	0.000	0.000	0.000
83	A	88	ALA	0	-0.003	0.005	27.953	-0.006	-0.006	0.000	0.000	0.000	0.000
84	A	89	ASP	-1	-0.863	-0.926	29.522	-0.020	-0.020	0.000	0.000	0.000	0.000
85	A	90	ALA	0	0.033	0.004	25.836	-0.009	-0.009	0.000	0.000	0.000	0.000
86	A	91	GLN	0	0.000	0.009	27.862	-0.005	-0.005	0.000	0.000	0.000	0.000
87	A	92	SER	0	-0.045	-0.026	29.971	-0.004	-0.004	0.000	0.000	0.000	0.000
88	A	93	ALA	0	-0.031	-0.014	28.473	-0.005	-0.005	0.000	0.000	0.000	0.000
89	A	94	ILE	0	-0.033	-0.013	26.196	-0.008	-0.008	0.000	0.000	0.000	0.000
90	A	95	GLU	-1	-0.920	-0.968	30.385	0.002	0.002	0.000	0.000	0.000	0.000
91	A	96	LYS	1	0.866	0.943	32.999	0.037	0.037	0.000	0.000	0.000	0.000
92	A	97	ARG	1	0.951	1.000	34.918	0.001	0.001	0.000	0.000	0.000	0.000
93	A	98	LYS	1	0.948	0.971	36.626	0.011	0.011	0.000	0.000	0.000	0.000
94	A	99	ARG	1	0.869	0.925	31.504	0.035	0.035	0.000	0.000	0.000	0.000
95	A	100	ARG	1	0.983	0.994	36.564	0.020	0.020	0.000	0.000	0.000	0.000
96	A	101	ASN	0	0.016	-0.002	33.998	0.001	0.001	0.000	0.000	0.000	0.000
97	A	102	PRO	0	0.006	0.006	31.811	0.002	0.002	0.000	0.000	0.000	0.000
98	A	103	LEU	0	0.006	0.013	25.544	-0.002	-0.002	0.000	0.000	0.000	0.000
99	A	104	SER	0	0.023	0.016	28.914	-0.008	-0.008	0.000	0.000	0.000	0.000
100	A	105	LEU	0	-0.030	-0.010	23.100	-0.010	-0.010	0.000	0.000	0.000	0.000
101	A	106	PRO	0	0.009	-0.005	24.292	0.001	0.001	0.000	0.000	0.000	0.000
102	A	107	VAL	0	0.112	0.054	23.648	-0.021	-0.021	0.000	0.000	0.000	0.000
103	A	108	GLU	-1	-0.975	-0.988	23.085	-0.174	-0.174	0.000	0.000	0.000	0.000
104	A	109	LYS	1	0.904	0.955	21.949	0.191	0.191	0.000	0.000	0.000	0.000
105	A	110	ILE	0	0.056	0.024	18.362	-0.037	-0.037	0.000	0.000	0.000	0.000
106	A	111	HIS	0	-0.026	-0.023	18.215	-0.041	-0.041	0.000	0.000	0.000	0.000
107	A	112	PRO	0	-0.039	-0.032	18.346	-0.014	-0.014	0.000	0.000	0.000	0.000
108	A	113	LEU	0	0.027	0.023	15.050	-0.036	-0.036	0.000	0.000	0.000	0.000
109	A	114	LEU	0	0.017	0.016	13.573	-0.087	-0.087	0.000	0.000	0.000	0.000
110	A	115	LYS	1	0.855	0.934	13.104	0.225	0.225	0.000	0.000	0.000	0.000
111	A	116	GLU	-1	-0.907	-0.938	10.122	-0.983	-0.983	0.000	0.000	0.000	0.000
112	A	117	VAL	0	-0.018	-0.005	8.709	-0.201	-0.201	0.000	0.000	0.000	0.000
113	A	118	LEU	0	-0.063	-0.009	8.163	-0.078	-0.078	0.000	0.000	0.000	0.000
114	A	119	GLY	0	0.047	0.032	9.136	0.041	0.041	0.000	0.000	0.000	0.000
115	A	120	TYR	0	-0.086	-0.077	10.005	0.073	0.073	0.000	0.000	0.000	0.000
116	A	121	LYS	1	0.945	0.968	13.587	0.149	0.149	0.000	0.000	0.000	0.000
117	A	122	ILE	0	0.030	0.013	16.063	0.033	0.033	0.000	0.000	0.000	0.000
118	A	123	ASP	-1	-0.887	-0.949	18.883	-0.091	-0.091	0.000	0.000	0.000	0.000
119	A	124	HIS	0	0.019	-0.011	21.797	-0.013	-0.013	0.000	0.000	0.000	0.000
120	A	125	GLN	0	0.002	-0.009	24.096	0.009	0.009	0.000	0.000	0.000	0.000
121	A	126	VAL	0	0.028	0.019	18.870	0.009	0.009	0.000	0.000	0.000	0.000
122	A	127	SER	0	0.007	0.002	20.013	-0.008	-0.008	0.000	0.000	0.000	0.000
123	A	128	VAL	0	0.012	0.009	21.006	-0.001	-0.001	0.000	0.000	0.000	0.000
124	A	129	TYR	0	0.057	0.027	21.875	0.005	0.005	0.000	0.000	0.000	0.000
125	A	130	ILE	0	0.034	0.012	16.746	0.010	0.010	0.000	0.000	0.000	0.000
126	A	131	VAL	0	-0.007	-0.015	20.728	0.004	0.004	0.000	0.000	0.000	0.000
127	A	132	ALA	0	0.021	0.015	22.492	0.005	0.005	0.000	0.000	0.000	0.000
128	A	133	VAL	0	0.028	0.021	21.828	0.006	0.006	0.000	0.000	0.000	0.000
129	A	134	LEU	0	-0.024	-0.011	18.276	0.004	0.004	0.000	0.000	0.000	0.000
130	A	135	GLU	-1	-0.920	-0.958	22.381	-0.058	-0.058	0.000	0.000	0.000	0.000
131	A	136	TYR	0	-0.009	-0.002	26.007	0.006	0.006	0.000	0.000	0.000	0.000
132	A	137	ILE	0	0.007	-0.001	22.233	0.008	0.008	0.000	0.000	0.000	0.000
133	A	138	SER	0	-0.017	-0.036	24.141	-0.005	-0.005	0.000	0.000	0.000	0.000
134	A	139	ALA	0	-0.010	-0.021	25.862	0.002	0.002	0.000	0.000	0.000	0.000
135	A	140	ASP	-1	-0.859	-0.939	27.415	0.027	0.027	0.000	0.000	0.000	0.000
136	A	141	ILE	0	-0.010	0.000	23.445	0.005	0.005	0.000	0.000	0.000	0.000
137	A	142	LEU	0	-0.028	-0.027	28.098	0.002	0.002	0.000	0.000	0.000	0.000
138	A	143	LYS	1	0.922	0.971	30.741	-0.008	-0.008	0.000	0.000	0.000	0.000
139	A	144	LEU	0	-0.064	-0.004	29.715	0.002	0.002	0.000	0.000	0.000	0.000
140	A	145	VAL	0	-0.006	-0.011	30.481	0.002	0.002	0.000	0.000	0.000	0.000
141	A	146	GLY	0	0.042	0.008	32.674	-0.001	-0.001	0.000	0.000	0.000	0.000
142	A	147	ASN	0	0.006	-0.003	35.528	-0.003	-0.003	0.000	0.000	0.000	0.000
143	A	148	TYR	0	-0.010	-0.008	33.266	0.002	0.002	0.000	0.000	0.000	0.000
144	A	149	VAL	0	0.014	0.013	35.421	0.001	0.001	0.000	0.000	0.000	0.000
145	A	150	ARG	1	0.904	0.956	38.316	0.004	0.004	0.000	0.000	0.000	0.000
146	A	151	ASN	0	-0.039	-0.025	40.496	-0.001	-0.001	0.000	0.000	0.000	0.000
147	A	152	ILE	0	-0.051	-0.015	38.499	0.001	0.001	0.000	0.000	0.000	0.000
148	A	153	ARG	1	0.921	0.991	42.384	0.008	0.008	0.000	0.000	0.000	0.000
149	A	154	HIS	0	-0.028	-0.006	39.287	0.000	0.000	0.000	0.000	0.000	0.000
150	A	155	TYR	0	0.006	-0.003	41.597	0.000	0.000	0.000	0.000	0.000	0.000
151	A	156	GLU	-1	-0.898	-0.960	38.181	-0.035	-0.035	0.000	0.000	0.000	0.000
152	A	157	ILE	0	0.010	0.015	32.298	0.003	0.003	0.000	0.000	0.000	0.000
153	A	158	THR	0	-0.055	-0.044	32.355	-0.009	-0.009	0.000	0.000	0.000	0.000
154	A	159	LYS	1	0.976	0.987	23.807	0.102	0.102	0.000	0.000	0.000	0.000
155	A	160	GLN	0	-0.047	-0.034	28.562	0.009	0.009	0.000	0.000	0.000	0.000
156	A	161	ASP	-1	-0.755	-0.882	30.630	-0.021	-0.021	0.000	0.000	0.000	0.000
157	A	162	ILE	0	0.052	0.019	26.473	0.006	0.006	0.000	0.000	0.000	0.000
158	A	163	LYS	1	0.916	0.962	25.113	0.039	0.039	0.000	0.000	0.000	0.000
159	A	164	VAL	0	0.014	0.016	27.805	0.011	0.011	0.000	0.000	0.000	0.000
160	A	165	ALA	0	0.020	0.011	30.272	0.008	0.008	0.000	0.000	0.000	0.000
161	A	166	MET	0	-0.016	0.001	23.364	0.005	0.005	0.000	0.000	0.000	0.000
162	A	167	CYS	0	-0.059	-0.043	27.373	0.014	0.014	0.000	0.000	0.000	0.000
163	A	168	ALA	0	-0.008	0.005	28.395	0.010	0.010	0.000	0.000	0.000	0.000
164	A	169	ASP	-1	-0.792	-0.901	27.483	0.047	0.047	0.000	0.000	0.000	0.000
165	A	170	LYS	1	0.790	0.876	27.509	-0.073	-0.073	0.000	0.000	0.000	0.000
166	A	171	VAL	0	0.046	0.031	24.917	0.013	0.013	0.000	0.000	0.000	0.000
167	A	172	LEU	0	0.062	0.021	23.381	0.016	0.016	0.000	0.000	0.000	0.000
168	A	173	MET	0	-0.052	-0.024	22.130	0.001	0.001	0.000	0.000	0.000	0.000
169	A	174	ASP	-1	-0.929	-0.964	22.006	0.230	0.230	0.000	0.000	0.000	0.000
170	A	175	MET	0	-0.042	0.004	18.831	0.027	0.027	0.000	0.000	0.000	0.000
171	A	176	PHE	0	-0.048	-0.032	17.326	0.020	0.020	0.000	0.000	0.000	0.000
172	A	177	HIS	0	-0.069	-0.016	17.117	-0.024	-0.024	0.000	0.000	0.000	0.000
173	A	195	THR	0	-0.051	-0.009	50.581	0.000	0.000	0.000	0.000	0.000	0.000
174	A	196	SER	0	0.047	0.006	52.403	0.001	0.001	0.000	0.000	0.000	0.000
175	A	197	GLY	0	-0.031	-0.027	54.763	0.001	0.001	0.000	0.000	0.000	0.000
176	A	198	GLU	-1	-0.959	-0.975	57.941	-0.011	-0.011	0.000	0.000	0.000	0.000
177	A	199	GLN	0	-0.003	-0.007	58.314	0.000	0.000	0.000	0.000	0.000	0.000
178	A	200	THR	0	0.031	0.009	58.646	0.000	0.000	0.000	0.000	0.000	0.000
179	A	201	TYR	0	0.069	0.025	60.532	0.000	0.000	0.000	0.000	0.000	0.000
180	A	202	TYR	0	0.019	0.003	56.047	0.000	0.000	0.000	0.000	0.000	0.000
181	A	203	ASP	-1	-0.926	-0.963	54.587	-0.010	-0.010	0.000	0.000	0.000	0.000
182	A	204	LEU	0	0.064	0.039	55.890	0.000	0.000	0.000	0.000	0.000	0.000
183	A	205	VAL	0	0.027	0.026	57.176	0.001	0.001	0.000	0.000	0.000	0.000
184	A	206	LYS	1	0.942	0.970	50.071	0.016	0.016	0.000	0.000	0.000	0.000
185	A	207	ALA	0	-0.036	-0.036	52.394	0.000	0.000	0.000	0.000	0.000	0.000
186	A	208	PHE	0	0.073	0.040	52.583	0.001	0.001	0.000	0.000	0.000	0.000
187	A	209	MET	0	-0.005	-0.003	53.435	0.001	0.001	0.000	0.000	0.000	0.000
188	A	210	ALA	0	-0.090	-0.043	48.652	0.000	0.000	0.000	0.000	0.000	0.000
189	A	211	GLU	-1	-0.875	-0.933	48.944	0.002	0.002	0.000	0.000	0.000	0.000
190	A	212	ILE	0	-0.039	-0.016	50.562	0.002	0.002	0.000	0.000	0.000	0.000
191	A	213	ARG	1	0.819	0.904	48.010	0.011	0.011	0.000	0.000	0.000	0.000
192	A	214	GLN	0	0.008	0.009	43.064	-0.001	-0.001	0.000	0.000	0.000	0.000
193	A	215	TYR	0	0.056	0.025	47.326	0.003	0.003	0.000	0.000	0.000	0.000
194	A	216	ILE	0	-0.005	-0.011	49.688	0.002	0.002	0.000	0.000	0.000	0.000
195	A	217	ARG	1	0.790	0.903	39.234	-0.007	-0.007	0.000	0.000	0.000	0.000
196	A	218	GLU	-1	-0.915	-0.967	45.809	0.016	0.016	0.000	0.000	0.000	0.000
197	A	219	LEU	0	-0.026	-0.004	47.034	0.003	0.003	0.000	0.000	0.000	0.000
198	A	220	ASN	0	0.032	-0.001	46.451	0.002	0.002	0.000	0.000	0.000	0.000
199	A	221	LEU	0	0.027	0.027	41.843	0.002	0.002	0.000	0.000	0.000	0.000
200	A	222	ILE	0	-0.010	-0.010	45.304	0.003	0.003	0.000	0.000	0.000	0.000
201	A	223	ILE	0	-0.045	-0.037	48.185	0.002	0.002	0.000	0.000	0.000	0.000
202	A	224	LYS	1	0.851	0.896	45.810	-0.007	-0.007	0.000	0.000	0.000	0.000
203	A	225	VAL	0	-0.018	0.019	41.629	0.001	0.001	0.000	0.000	0.000	0.000
204	A	226	PHE	0	-0.021	-0.028	43.460	0.004	0.004	0.000	0.000	0.000	0.000
205	A	227	ARG	1	0.913	0.957	46.698	-0.017	-0.017	0.000	0.000	0.000	0.000
206	A	228	GLU	-1	-0.855	-0.916	46.432	0.022	0.022	0.000	0.000	0.000	0.000
207	A	229	PRO	0	-0.019	-0.009	45.068	0.000	0.000	0.000	0.000	0.000	0.000
208	A	230	PHE	0	-0.063	-0.050	47.674	0.001	0.001	0.000	0.000	0.000	0.000
209	A	231	VAL	0	-0.003	0.007	51.058	-0.001	-0.001	0.000	0.000	0.000	0.000
210	A	232	SER	0	-0.021	0.010	48.461	-0.001	-0.001	0.000	0.000	0.000	0.000
211	A	233	ASN	0	-0.039	-0.024	49.633	-0.001	-0.001	0.000	0.000	0.000	0.000
212	A	234	SER	0	0.073	0.034	51.490	0.000	0.000	0.000	0.000	0.000	0.000
213	A	235	LYS	1	0.900	0.941	50.861	-0.038	-0.038	0.000	0.000	0.000	0.000
214	A	236	LEU	0	-0.110	-0.038	50.702	0.001	0.001	0.000	0.000	0.000	0.000
215	A	237	PHE	0	-0.016	-0.007	50.438	0.001	0.001	0.000	0.000	0.000	0.000
216	A	238	SER	0	0.027	0.026	55.541	-0.001	-0.001	0.000	0.000	0.000	0.000
217	A	239	ALA	0	0.070	0.012	58.166	0.000	0.000	0.000	0.000	0.000	0.000
218	A	240	ASN	0	0.025	-0.007	59.684	0.000	0.000	0.000	0.000	0.000	0.000
219	A	241	ASP	-1	-0.877	-0.944	56.928	0.030	0.030	0.000	0.000	0.000	0.000
220	A	242	VAL	0	0.048	0.026	54.702	0.001	0.001	0.000	0.000	0.000	0.000
221	A	243	GLU	-1	-0.883	-0.943	56.812	0.017	0.017	0.000	0.000	0.000	0.000
222	A	244	ASN	0	-0.075	-0.034	59.490	-0.001	-0.001	0.000	0.000	0.000	0.000
223	A	245	ILE	0	-0.082	-0.025	53.034	0.001	0.001	0.000	0.000	0.000	0.000
224	A	246	PHE	0	-0.007	-0.021	50.500	0.000	0.000	0.000	0.000	0.000	0.000
225	A	247	SER	0	-0.021	-0.013	55.941	-0.001	-0.001	0.000	0.000	0.000	0.000
226	A	248	ARG	1	0.913	0.965	59.584	-0.012	-0.012	0.000	0.000	0.000	0.000
227	A	249	ILE	0	0.051	0.025	53.283	-0.001	-0.001	0.000	0.000	0.000	0.000
228	A	250	VAL	0	-0.006	-0.011	54.751	-0.001	-0.001	0.000	0.000	0.000	0.000
229	A	251	ASP	-1	-0.814	-0.911	56.437	0.009	0.009	0.000	0.000	0.000	0.000
230	A	252	ILE	0	-0.010	0.001	56.528	-0.001	-0.001	0.000	0.000	0.000	0.000
231	A	253	HIS	0	-0.018	-0.007	51.116	-0.002	-0.002	0.000	0.000	0.000	0.000
232	A	254	GLU	-1	-0.940	-0.982	55.457	0.005	0.005	0.000	0.000	0.000	0.000
233	A	255	LEU	0	-0.052	-0.008	57.748	-0.001	-0.001	0.000	0.000	0.000	0.000
234	A	256	SER	0	0.018	-0.005	54.998	-0.001	-0.001	0.000	0.000	0.000	0.000
235	A	257	VAL	0	0.033	0.018	53.277	-0.001	-0.001	0.000	0.000	0.000	0.000
236	A	258	LYS	1	0.950	0.973	55.666	-0.003	-0.003	0.000	0.000	0.000	0.000
237	A	259	LEU	0	0.005	0.030	58.226	-0.001	-0.001	0.000	0.000	0.000	0.000
238	A	260	LEU	0	-0.023	-0.024	52.461	-0.001	-0.001	0.000	0.000	0.000	0.000
239	A	261	GLY	0	0.036	0.017	56.270	-0.001	-0.001	0.000	0.000	0.000	0.000
240	A	262	HIS	0	-0.012	-0.035	57.681	-0.001	-0.001	0.000	0.000	0.000	0.000
241	A	263	ILE	0	-0.040	-0.005	56.681	-0.001	-0.001	0.000	0.000	0.000	0.000
242	A	264	GLU	-1	-0.863	-0.940	52.427	-0.012	-0.012	0.000	0.000	0.000	0.000
243	A	265	ASP	-1	-0.848	-0.917	57.058	-0.011	-0.011	0.000	0.000	0.000	0.000
244	A	266	THR	0	-0.064	-0.051	59.990	-0.001	-0.001	0.000	0.000	0.000	0.000
245	A	267	VAL	0	-0.037	-0.022	57.275	-0.001	-0.001	0.000	0.000	0.000	0.000
246	A	268	GLU	-1	-0.913	-0.949	57.603	-0.018	-0.018	0.000	0.000	0.000	0.000
247	A	269	MET	0	-0.086	-0.029	59.199	-0.001	-0.001	0.000	0.000	0.000	0.000
248	A	270	THR	0	-0.072	-0.030	61.928	0.000	0.000	0.000	0.000	0.000	0.000
249	A	271	ASP	-1	-0.851	-0.929	61.884	-0.017	-0.017	0.000	0.000	0.000	0.000
250	A	272	GLU	-1	-0.896	-0.970	59.542	-0.023	-0.023	0.000	0.000	0.000	0.000
251	A	273	GLY	0	-0.044	-0.003	62.907	0.000	0.000	0.000	0.000	0.000	0.000
252	A	274	SER	0	-0.076	-0.059	65.225	0.001	0.001	0.000	0.000	0.000	0.000
253	A	275	PRO	0	0.014	0.031	64.610	-0.001	-0.001	0.000	0.000	0.000	0.000
254	A	276	HIS	0	0.011	-0.008	63.385	0.000	0.000	0.000	0.000	0.000	0.000
255	A	277	PRO	0	0.008	0.012	60.898	0.000	0.000	0.000	0.000	0.000	0.000
256	A	278	LEU	0	0.012	0.017	64.219	0.001	0.001	0.000	0.000	0.000	0.000
257	A	279	VAL	0	0.024	0.000	61.957	0.000	0.000	0.000	0.000	0.000	0.000
258	A	280	GLY	0	0.048	0.030	65.204	0.001	0.001	0.000	0.000	0.000	0.000
259	A	281	SER	0	0.040	0.005	68.312	0.001	0.001	0.000	0.000	0.000	0.000
260	A	282	CYS	0	-0.127	-0.062	63.288	0.000	0.000	0.000	0.000	0.000	0.000
261	A	283	PHE	0	0.025	-0.006	62.006	0.001	0.001	0.000	0.000	0.000	0.000
262	A	284	GLU	-1	-0.918	-0.954	66.785	-0.001	-0.001	0.000	0.000	0.000	0.000
263	A	285	ASP	-1	-0.761	-0.880	68.134	-0.003	-0.003	0.000	0.000	0.000	0.000
264	A	286	LEU	0	-0.089	-0.052	63.087	0.001	0.001	0.000	0.000	0.000	0.000
265	A	287	ALA	0	-0.049	-0.034	67.443	0.001	0.001	0.000	0.000	0.000	0.000
266	A	288	GLU	-1	-0.939	-0.949	69.678	0.000	0.000	0.000	0.000	0.000	0.000
267	A	289	GLU	-1	-1.013	-1.002	69.273	0.001	0.001	0.000	0.000	0.000	0.000
268	A	290	LEU	0	-0.072	-0.028	70.020	0.001	0.001	0.000	0.000	0.000	0.000
269	A	291	ALA	0	0.013	0.007	64.969	0.001	0.001	0.000	0.000	0.000	0.000
270	A	292	PHE	0	-0.072	-0.050	62.049	0.001	0.001	0.000	0.000	0.000	0.000
271	A	293	ASP	-1	-0.780	-0.890	65.500	0.007	0.007	0.000	0.000	0.000	0.000
272	A	294	PRO	0	-0.055	-0.038	62.471	0.001	0.001	0.000	0.000	0.000	0.000
273	A	295	TYR	0	0.061	0.020	58.119	0.001	0.001	0.000	0.000	0.000	0.000
274	A	296	GLU	-1	-0.910	-0.963	62.605	0.010	0.010	0.000	0.000	0.000	0.000
275	A	297	SER	0	-0.066	-0.049	64.631	0.001	0.001	0.000	0.000	0.000	0.000
276	A	298	TYR	0	-0.031	-0.021	54.971	0.001	0.001	0.000	0.000	0.000	0.000
277	A	299	ALA	0	0.016	-0.007	60.927	0.001	0.001	0.000	0.000	0.000	0.000
278	A	300	ARG	1	0.854	0.929	61.964	-0.011	-0.011	0.000	0.000	0.000	0.000
279	A	301	ASP	-1	-0.890	-0.950	61.620	0.017	0.017	0.000	0.000	0.000	0.000
280	A	302	ILE	0	0.031	0.037	56.661	0.002	0.002	0.000	0.000	0.000	0.000
281	A	303	LEU	0	-0.065	-0.031	59.113	0.002	0.002	0.000	0.000	0.000	0.000
282	A	304	ARG	1	0.851	0.930	61.386	-0.017	-0.017	0.000	0.000	0.000	0.000
283	A	305	PRO	0	-0.037	-0.038	61.943	0.001	0.001	0.000	0.000	0.000	0.000
284	A	306	GLY	0	0.021	0.019	62.481	0.001	0.001	0.000	0.000	0.000	0.000
285	A	307	PHE	0	-0.004	0.009	55.289	0.000	0.000	0.000	0.000	0.000	0.000
286	A	308	HIS	0	0.064	0.019	56.089	0.000	0.000	0.000	0.000	0.000	0.000
287	A	309	ASP	-1	-0.875	-0.930	56.463	0.031	0.031	0.000	0.000	0.000	0.000
288	A	310	ARG	1	0.946	0.961	58.087	-0.022	-0.022	0.000	0.000	0.000	0.000
289	A	311	PHE	0	0.017	0.029	50.330	0.001	0.001	0.000	0.000	0.000	0.000
290	A	312	LEU	0	0.042	0.003	52.366	0.002	0.002	0.000	0.000	0.000	0.000
291	A	313	SER	0	-0.111	-0.041	53.989	0.002	0.002	0.000	0.000	0.000	0.000
292	A	314	GLN	0	0.006	-0.002	53.905	0.000	0.000	0.000	0.000	0.000	0.000
293	A	315	LEU	0	-0.030	-0.017	48.078	0.001	0.001	0.000	0.000	0.000	0.000
294	A	316	SER	0	-0.023	-0.015	50.397	0.003	0.003	0.000	0.000	0.000	0.000
295	A	317	LYS	1	0.863	0.966	52.782	-0.032	-0.032	0.000	0.000	0.000	0.000
296	A	318	PRO	0	0.054	0.001	52.873	0.002	0.002	0.000	0.000	0.000	0.000
297	A	319	GLY	0	0.005	0.009	50.598	-0.002	-0.002	0.000	0.000	0.000	0.000
298	A	320	ALA	0	0.032	0.019	49.406	0.001	0.001	0.000	0.000	0.000	0.000
299	A	321	ALA	0	-0.025	-0.022	47.313	0.001	0.001	0.000	0.000	0.000	0.000
300	A	322	LEU	0	-0.001	0.003	45.179	0.003	0.003	0.000	0.000	0.000	0.000
301	A	323	TYR	0	0.026	0.013	44.422	0.003	0.003	0.000	0.000	0.000	0.000
302	A	324	LEU	0	0.017	0.009	44.469	0.001	0.001	0.000	0.000	0.000	0.000
303	A	325	GLN	0	-0.018	-0.010	40.575	0.000	0.000	0.000	0.000	0.000	0.000
304	A	326	SER	0	-0.083	-0.036	39.683	0.002	0.002	0.000	0.000	0.000	0.000
305	A	327	ILE	0	-0.012	-0.003	39.835	0.001	0.001	0.000	0.000	0.000	0.000
306	A	328	GLY	0	0.031	0.011	37.427	-0.001	-0.001	0.000	0.000	0.000	0.000
307	A	329	GLU	-1	-0.931	-0.963	32.341	0.108	0.108	0.000	0.000	0.000	0.000
308	A	330	GLY	0	-0.001	0.004	36.076	-0.001	-0.001	0.000	0.000	0.000	0.000
309	A	331	PHE	0	-0.008	-0.019	37.906	-0.004	-0.004	0.000	0.000	0.000	0.000
310	A	332	LYS	1	0.937	0.959	40.545	-0.059	-0.059	0.000	0.000	0.000	0.000
311	A	333	GLU	-1	-0.855	-0.933	40.348	0.067	0.067	0.000	0.000	0.000	0.000
312	A	334	ALA	0	0.047	0.025	41.078	-0.003	-0.003	0.000	0.000	0.000	0.000
313	A	335	VAL	0	-0.019	-0.006	43.034	-0.004	-0.004	0.000	0.000	0.000	0.000
314	A	336	GLN	0	0.014	0.000	45.847	-0.001	-0.001	0.000	0.000	0.000	0.000
315	A	337	TYR	0	-0.037	-0.033	44.441	-0.003	-0.003	0.000	0.000	0.000	0.000
316	A	338	VAL	0	0.015	0.006	42.612	-0.001	-0.001	0.000	0.000	0.000	0.000
317	A	339	LEU	0	-0.001	0.017	46.029	-0.003	-0.003	0.000	0.000	0.000	0.000
318	A	340	PRO	0	-0.026	-0.022	48.068	-0.003	-0.003	0.000	0.000	0.000	0.000
319	A	341	ARG	1	0.952	0.962	48.185	-0.036	-0.036	0.000	0.000	0.000	0.000
320	A	342	LEU	0	0.011	0.017	44.751	-0.002	-0.002	0.000	0.000	0.000	0.000
321	A	343	LEU	0	-0.004	0.009	49.172	-0.002	-0.002	0.000	0.000	0.000	0.000
322	A	344	LEU	0	-0.014	0.008	52.379	-0.001	-0.001	0.000	0.000	0.000	0.000
323	A	345	ALA	0	0.057	0.039	50.792	-0.001	-0.001	0.000	0.000	0.000	0.000
324	A	346	PRO	0	0.007	-0.006	52.925	-0.002	-0.002	0.000	0.000	0.000	0.000
325	A	347	VAL	0	-0.013	-0.004	55.824	-0.001	-0.001	0.000	0.000	0.000	0.000
326	A	348	TYR	0	0.032	0.003	53.868	-0.001	-0.001	0.000	0.000	0.000	0.000
327	A	349	HIS	0	0.047	0.054	54.012	-0.002	-0.002	0.000	0.000	0.000	0.000
328	A	350	CYS	0	-0.002	-0.002	56.407	-0.001	-0.001	0.000	0.000	0.000	0.000
329	A	351	LEU	0	-0.045	-0.047	59.870	-0.001	-0.001	0.000	0.000	0.000	0.000
330	A	352	HIS	0	0.021	0.020	56.612	-0.001	-0.001	0.000	0.000	0.000	0.000
331	A	353	TYR	0	-0.013	-0.023	57.351	-0.001	-0.001	0.000	0.000	0.000	0.000
332	A	354	PHE	0	-0.013	-0.003	61.762	-0.001	-0.001	0.000	0.000	0.000	0.000
333	A	355	GLU	-1	-0.958	-0.973	59.403	0.005	0.005	0.000	0.000	0.000	0.000
334	A	356	LEU	0	0.029	0.024	58.807	-0.001	-0.001	0.000	0.000	0.000	0.000
335	A	357	LEU	0	0.019	-0.013	62.669	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	358	LYS	1	0.909	0.951	65.751	-0.004	-0.004	0.000	0.000	0.000	0.000
337	A	359	GLN	0	-0.011	0.003	61.154	-0.001	-0.001	0.000	0.000	0.000	0.000
338	A	360	LEU	0	-0.063	-0.024	63.025	-0.001	-0.001	0.000	0.000	0.000	0.000
339	A	361	GLU	-1	-0.878	-0.961	66.587	-0.002	-0.002	0.000	0.000	0.000	0.000
340	A	362	GLU	-1	-0.944	-0.955	68.630	-0.002	-0.002	0.000	0.000	0.000	0.000
341	A	363	LYS	1	0.864	0.933	63.909	0.004	0.004	0.000	0.000	0.000	0.000
342	A	364	SER	0	-0.014	0.006	67.774	-0.001	-0.001	0.000	0.000	0.000	0.000
343	A	365	GLU	-1	-0.930	-0.968	68.365	-0.008	-0.008	0.000	0.000	0.000	0.000
344	A	366	ASP	-1	-0.893	-0.958	70.885	-0.008	-0.008	0.000	0.000	0.000	0.000
345	A	367	GLN	0	-0.038	-0.013	72.837	0.000	0.000	0.000	0.000	0.000	0.000
346	A	368	GLU	-1	-0.919	-0.976	74.846	-0.006	-0.006	0.000	0.000	0.000	0.000
347	A	369	ASP	-1	-0.854	-0.943	68.724	-0.005	-0.005	0.000	0.000	0.000	0.000
348	A	370	LYN	0	0.052	0.027	71.761	0.001	0.001	0.000	0.000	0.000	0.000
349	A	371	GLU	-1	-0.954	-0.984	73.035	-0.002	-0.002	0.000	0.000	0.000	0.000
350	A	372	CYS	0	-0.029	-0.009	71.628	0.001	0.001	0.000	0.000	0.000	0.000
351	A	373	LEU	0	0.002	0.019	67.632	0.001	0.001	0.000	0.000	0.000	0.000
352	A	374	LYS	1	0.834	0.911	71.130	0.003	0.003	0.000	0.000	0.000	0.000
353	A	375	GLN	0	0.005	0.009	74.149	0.001	0.001	0.000	0.000	0.000	0.000
354	A	376	ALA	0	0.045	0.036	69.128	0.001	0.001	0.000	0.000	0.000	0.000
355	A	377	ILE	0	-0.036	-0.031	69.291	0.001	0.001	0.000	0.000	0.000	0.000
356	A	378	THR	0	-0.048	-0.051	71.226	0.001	0.001	0.000	0.000	0.000	0.000
357	A	379	ALA	0	0.016	0.019	72.563	0.001	0.001	0.000	0.000	0.000	0.000
358	A	380	LEU	0	-0.010	0.010	66.798	0.001	0.001	0.000	0.000	0.000	0.000
359	A	381	LEU	0	-0.019	0.005	70.257	0.001	0.001	0.000	0.000	0.000	0.000
360	A	382	ASN	0	0.003	0.000	72.574	0.001	0.001	0.000	0.000	0.000	0.000
361	A	383	VAL	0	0.070	0.046	66.821	0.001	0.001	0.000	0.000	0.000	0.000
362	A	384	GLN	0	-0.017	-0.005	67.588	0.001	0.001	0.000	0.000	0.000	0.000
363	A	385	SER	0	-0.048	-0.038	68.690	0.001	0.001	0.000	0.000	0.000	0.000
364	A	386	GLY	0	0.038	0.027	70.100	0.001	0.001	0.000	0.000	0.000	0.000
365	A	387	MET	0	0.009	-0.013	63.903	0.001	0.001	0.000	0.000	0.000	0.000
366	A	388	GLU	-1	-0.909	-0.933	66.068	0.009	0.009	0.000	0.000	0.000	0.000
367	A	389	LYS	1	0.933	0.965	67.592	-0.010	-0.010	0.000	0.000	0.000	0.000
368	A	390	ILE	0	-0.079	-0.037	64.789	0.001	0.001	0.000	0.000	0.000	0.000
369	A	391	CYS	0	0.014	0.001	62.866	0.001	0.001	0.000	0.000	0.000	0.000
370	A	392	SER	0	-0.081	-0.027	64.004	0.001	0.001	0.000	0.000	0.000	0.000
371	A	393	LYS	1	0.940	0.981	65.258	-0.019	-0.019	0.000	0.000	0.000	0.000
372	A	394	SER	0	0.003	-0.019	65.235	0.000	0.000	0.000	0.000	0.000	0.000
373	A	395	LEU	0	-0.047	-0.023	61.021	0.001	0.001	0.000	0.000	0.000	0.000
374	A	396	ALA	0	0.068	0.020	61.245	0.001	0.001	0.000	0.000	0.000	0.000
375	A	397	LYS	1	1.027	1.024	60.467	-0.014	-0.014	0.000	0.000	0.000	0.000
376	A	398	ARG	1	0.851	0.918	58.805	-0.026	-0.026	0.000	0.000	0.000	0.000
377	A	399	ARG	1	0.951	0.978	55.300	-0.023	-0.023	0.000	0.000	0.000	0.000
378	A	400	LEU	0	-0.011	0.001	55.618	0.000	0.000	0.000	0.000	0.000	0.000
379	A	401	SER	0	-0.026	-0.022	55.568	0.000	0.000	0.000	0.000	0.000	0.000
380	A	402	GLU	-1	-0.933	-0.956	52.074	0.030	0.030	0.000	0.000	0.000	0.000
381	A	403	SER	0	-0.048	-0.029	50.884	0.001	0.001	0.000	0.000	0.000	0.000
382	A	404	ALA	0	-0.011	0.021	50.313	0.000	0.000	0.000	0.000	0.000	0.000
383	A	418	ALA	0	-0.029	0.014	43.336	0.001	0.001	0.000	0.000	0.000	0.000
384	A	419	ILE	0	0.063	0.020	40.042	-0.002	-0.002	0.000	0.000	0.000	0.000
385	A	420	LYS	1	0.946	0.938	43.901	-0.006	-0.006	0.000	0.000	0.000	0.000
386	A	421	LYS	1	0.989	1.003	45.390	-0.018	-0.018	0.000	0.000	0.000	0.000
387	A	422	MET	0	0.036	0.038	37.407	0.001	0.001	0.000	0.000	0.000	0.000
388	A	423	ASN	0	0.022	0.010	42.394	0.004	0.004	0.000	0.000	0.000	0.000
389	A	424	GLU	-1	-0.941	-0.964	43.759	0.024	0.024	0.000	0.000	0.000	0.000
390	A	425	ILE	0	0.041	0.034	42.312	0.002	0.002	0.000	0.000	0.000	0.000
391	A	426	GLN	0	0.013	-0.009	37.721	0.001	0.001	0.000	0.000	0.000	0.000
392	A	427	LYS	1	0.892	0.956	41.910	-0.024	-0.024	0.000	0.000	0.000	0.000
393	A	428	ASN	0	-0.029	-0.023	44.762	0.000	0.000	0.000	0.000	0.000	0.000
394	A	429	ILE	0	-0.057	-0.026	40.292	0.003	0.003	0.000	0.000	0.000	0.000
395	A	430	ASP	-1	-0.942	-0.978	43.515	0.042	0.042	0.000	0.000	0.000	0.000
396	A	431	GLY	0	-0.010	-0.015	40.723	0.003	0.003	0.000	0.000	0.000	0.000
397	A	432	TRP	0	-0.017	-0.013	35.062	0.007	0.007	0.000	0.000	0.000	0.000
398	A	433	GLU	-1	-0.888	-0.934	33.457	0.089	0.089	0.000	0.000	0.000	0.000
399	A	434	GLY	0	-0.080	-0.103	32.033	0.005	0.005	0.000	0.000	0.000	0.000
400	A	435	LYS	1	0.950	0.968	25.202	-0.070	-0.070	0.000	0.000	0.000	0.000
401	A	436	ASP	-1	-0.839	-0.921	32.227	0.031	0.031	0.000	0.000	0.000	0.000
402	A	437	ILE	0	0.038	0.022	34.105	0.000	0.000	0.000	0.000	0.000	0.000
403	A	438	GLY	0	0.003	-0.015	34.906	0.002	0.002	0.000	0.000	0.000	0.000
404	A	439	GLN	0	-0.097	-0.043	30.348	-0.005	-0.005	0.000	0.000	0.000	0.000
405	A	440	CYS	0	-0.105	-0.066	29.746	0.001	0.001	0.000	0.000	0.000	0.000
406	A	441	CYS	0	-0.072	-0.010	31.481	0.005	0.005	0.000	0.000	0.000	0.000
407	A	442	ASN	0	0.061	0.014	34.781	-0.002	-0.002	0.000	0.000	0.000	0.000
408	A	443	GLU	-1	-0.932	-0.970	37.545	0.014	0.014	0.000	0.000	0.000	0.000
409	A	444	PHE	0	0.019	-0.037	39.642	0.004	0.004	0.000	0.000	0.000	0.000
410	A	445	ILE	0	0.073	-0.028	39.379	-0.001	-0.001	0.000	0.000	0.000	0.000
411	A	446	MET	0	-0.046	-0.033	43.325	-0.001	-0.001	0.000	0.000	0.000	0.000
412	A	447	GLU	-1	-0.831	-0.916	45.086	0.034	0.034	0.000	0.000	0.000	0.000
413	A	448	GLY	0	0.050	0.033	47.153	-0.002	-0.002	0.000	0.000	0.000	0.000
414	A	449	THR	0	-0.005	0.010	48.025	0.001	0.001	0.000	0.000	0.000	0.000
415	A	450	LEU	0	-0.006	0.005	44.160	0.000	0.000	0.000	0.000	0.000	0.000
416	A	451	THR	0	0.027	0.016	47.655	0.000	0.000	0.000	0.000	0.000	0.000
417	A	452	ARG	1	0.935	0.982	37.615	-0.090	-0.090	0.000	0.000	0.000	0.000
418	A	453	VAL	0	0.100	0.045	43.999	-0.001	-0.001	0.000	0.000	0.000	0.000
419	A	454	GLY	0	-0.005	0.001	43.672	0.004	0.004	0.000	0.000	0.000	0.000
420	A	455	ALA	0	-0.090	-0.046	44.571	0.002	0.002	0.000	0.000	0.000	0.000
421	A	456	LYS	1	0.916	0.955	46.108	-0.067	-0.067	0.000	0.000	0.000	0.000
422	A	457	HIS	0	0.013	-0.005	48.317	-0.001	-0.001	0.000	0.000	0.000	0.000
423	A	458	GLU	-1	-0.923	-0.949	48.081	0.046	0.046	0.000	0.000	0.000	0.000
424	A	459	ARG	1	0.885	0.916	43.258	-0.067	-0.067	0.000	0.000	0.000	0.000
425	A	460	HIS	0	-0.002	0.010	46.779	0.002	0.002	0.000	0.000	0.000	0.000
426	A	461	ILE	0	-0.033	-0.041	42.059	0.003	0.003	0.000	0.000	0.000	0.000
427	A	462	PHE	0	0.003	0.000	42.341	-0.002	-0.002	0.000	0.000	0.000	0.000
428	A	463	LEU	0	-0.087	0.057	40.547	0.003	0.003	0.000	0.000	0.000	0.000
429	A	464	PHE	0	-0.010	-0.017	38.108	-0.005	-0.005	0.000	0.000	0.000	0.000
430	A	465	ASP	-1	-0.789	-0.887	36.524	0.039	0.039	0.000	0.000	0.000	0.000
431	A	466	GLY	0	0.036	0.023	33.017	0.000	0.000	0.000	0.000	0.000	0.000
432	A	467	LEU	0	-0.031	-0.034	32.586	0.006	0.006	0.000	0.000	0.000	0.000
433	A	468	MET	0	0.004	-0.003	35.054	-0.001	-0.001	0.000	0.000	0.000	0.000
434	A	469	ILE	0	-0.037	0.000	37.153	0.004	0.004	0.000	0.000	0.000	0.000
435	A	470	CYS	0	-0.016	-0.007	39.835	0.000	0.000	0.000	0.000	0.000	0.000
436	A	471	CYS	0	-0.043	-0.018	41.908	0.001	0.001	0.000	0.000	0.000	0.000
437	A	472	LYS	1	0.890	0.957	44.681	-0.049	-0.049	0.000	0.000	0.000	0.000
438	A	473	SER	0	0.054	0.023	47.553	-0.002	-0.002	0.000	0.000	0.000	0.000
439	A	474	ASN	0	-0.065	-0.038	49.236	0.002	0.002	0.000	0.000	0.000	0.000
440	A	475	HIS	0	0.033	0.015	52.909	-0.002	-0.002	0.000	0.000	0.000	0.000
441	A	476	GLY	0	0.016	0.014	55.553	0.000	0.000	0.000	0.000	0.000	0.000
442	A	477	GLN	0	-0.057	-0.027	54.433	0.000	0.000	0.000	0.000	0.000	0.000
443	A	478	PRO	0	0.014	0.009	56.986	-0.001	-0.001	0.000	0.000	0.000	0.000
444	A	479	ARG	1	0.837	0.921	51.868	-0.032	-0.032	0.000	0.000	0.000	0.000
445	A	480	LEU	0	-0.002	0.002	53.474	-0.001	-0.001	0.000	0.000	0.000	0.000
446	A	481	PRO	0	0.040	0.010	55.208	0.000	0.000	0.000	0.000	0.000	0.000
447	A	482	GLY	0	0.004	0.001	53.950	0.000	0.000	0.000	0.000	0.000	0.000
448	A	483	ALA	0	-0.039	-0.006	50.904	0.001	0.001	0.000	0.000	0.000	0.000
449	A	484	SER	0	0.018	0.007	47.910	-0.002	-0.002	0.000	0.000	0.000	0.000
450	A	485	ASN	0	0.026	-0.023	50.266	0.001	0.001	0.000	0.000	0.000	0.000
451	A	486	ALA	0	-0.015	0.022	48.419	-0.001	-0.001	0.000	0.000	0.000	0.000
452	A	487	GLU	-1	-0.831	-0.913	50.348	0.031	0.031	0.000	0.000	0.000	0.000
453	A	488	TYR	0	0.033	0.011	46.951	0.002	0.002	0.000	0.000	0.000	0.000
454	A	489	ARG	1	0.975	0.985	41.564	-0.058	-0.058	0.000	0.000	0.000	0.000
455	A	490	LEU	0	-0.005	0.026	39.044	0.001	0.001	0.000	0.000	0.000	0.000
456	A	491	LYS	1	0.781	0.883	37.058	-0.094	-0.094	0.000	0.000	0.000	0.000
457	A	492	GLU	-1	-0.820	-0.906	35.035	0.108	0.108	0.000	0.000	0.000	0.000
458	A	493	LYS	1	0.906	1.022	31.442	-0.091	-0.091	0.000	0.000	0.000	0.000
459	A	494	PHE	0	0.009	0.003	31.986	0.006	0.006	0.000	0.000	0.000	0.000
460	A	495	PHE	0	-0.037	-0.010	28.208	-0.008	-0.008	0.000	0.000	0.000	0.000
461	A	496	MET	0	0.052	0.064	30.185	-0.005	-0.005	0.000	0.000	0.000	0.000
462	A	497	ARG	1	0.897	0.927	23.908	-0.119	-0.119	0.000	0.000	0.000	0.000
463	A	498	LYS	1	1.013	1.006	24.258	-0.195	-0.195	0.000	0.000	0.000	0.000
464	A	499	VAL	0	-0.023	0.010	29.341	0.009	0.009	0.000	0.000	0.000	0.000
465	A	500	GLN	0	-0.002	-0.001	32.478	-0.001	-0.001	0.000	0.000	0.000	0.000
466	A	501	ILE	0	-0.009	-0.013	35.054	0.002	0.002	0.000	0.000	0.000	0.000
467	A	502	ASN	0	-0.052	-0.034	38.684	-0.007	-0.007	0.000	0.000	0.000	0.000
468	A	503	ASP	-1	-0.826	-0.885	41.284	0.064	0.064	0.000	0.000	0.000	0.000
469	A	504	LYS	1	0.932	0.966	44.754	-0.075	-0.075	0.000	0.000	0.000	0.000
470	A	505	ASP	-1	-0.942	-0.936	48.015	0.053	0.053	0.000	0.000	0.000	0.000
471	A	506	ASP	-1	-0.939	-1.000	47.824	0.067	0.067	0.000	0.000	0.000	0.000
472	A	507	THR	0	-0.050	-0.023	51.260	-0.003	-0.003	0.000	0.000	0.000	0.000
473	A	508	ASN	0	0.003	-0.004	49.326	-0.003	-0.003	0.000	0.000	0.000	0.000
474	A	509	GLU	-1	-0.967	-0.967	52.091	0.053	0.053	0.000	0.000	0.000	0.000
475	A	510	TYR	0	-0.031	-0.028	45.479	0.002	0.002	0.000	0.000	0.000	0.000
476	A	511	LYS	1	1.004	0.990	49.723	-0.049	-0.049	0.000	0.000	0.000	0.000
477	A	512	HIS	0	0.064	0.026	49.570	0.001	0.001	0.000	0.000	0.000	0.000
478	A	513	ALA	0	-0.011	-0.014	45.406	0.000	0.000	0.000	0.000	0.000	0.000
479	A	514	PHE	0	0.053	0.029	39.941	0.001	0.001	0.000	0.000	0.000	0.000
480	A	515	GLU	-1	-0.902	-0.971	37.519	0.105	0.105	0.000	0.000	0.000	0.000
481	A	516	ILE	0	-0.016	0.007	34.409	0.000	0.000	0.000	0.000	0.000	0.000
482	A	517	ILE	0	0.040	0.068	30.617	0.002	0.002	0.000	0.000	0.000	0.000
483	A	518	LEU	0	-0.076	-0.006	30.903	-0.001	-0.001	0.000	0.000	0.000	0.000
484	A	519	LYS	1	0.973	0.976	23.646	-0.183	-0.183	0.000	0.000	0.000	0.000
485	A	520	ASP	-1	-0.922	-0.962	23.271	0.277	0.277	0.000	0.000	0.000	0.000
486	A	521	GLU	-1	-0.927	-0.983	26.778	0.145	0.145	0.000	0.000	0.000	0.000
487	A	522	ASN	0	-0.031	-0.018	30.516	0.005	0.005	0.000	0.000	0.000	0.000
488	A	523	SER	0	0.066	-0.022	33.978	0.000	0.000	0.000	0.000	0.000	0.000
489	A	524	VAL	0	-0.079	-0.035	35.792	-0.004	-0.004	0.000	0.000	0.000	0.000
490	A	525	ILE	0	0.017	0.018	38.665	-0.002	-0.002	0.000	0.000	0.000	0.000
491	A	526	PHE	0	-0.017	-0.016	38.513	-0.003	-0.003	0.000	0.000	0.000	0.000
492	A	527	SER	0	-0.011	-0.013	43.672	-0.002	-0.002	0.000	0.000	0.000	0.000
493	A	528	ALA	0	0.032	0.006	47.395	-0.001	-0.001	0.000	0.000	0.000	0.000
494	A	529	LYS	1	0.815	0.905	49.921	-0.043	-0.043	0.000	0.000	0.000	0.000
495	A	530	SER	0	0.024	0.005	53.665	0.000	0.000	0.000	0.000	0.000	0.000
496	A	531	ALA	0	0.070	0.014	52.550	0.001	0.001	0.000	0.000	0.000	0.000
497	A	532	GLU	-1	-0.946	-0.962	52.550	0.031	0.031	0.000	0.000	0.000	0.000
498	A	533	GLU	-1	-0.802	-0.908	50.713	0.040	0.040	0.000	0.000	0.000	0.000
499	A	534	LYS	1	0.793	0.915	47.008	-0.053	-0.053	0.000	0.000	0.000	0.000
500	A	535	ASN	0	-0.024	-0.035	47.590	0.004	0.004	0.000	0.000	0.000	0.000
501	A	536	ASN	0	0.001	0.014	48.002	0.000	0.000	0.000	0.000	0.000	0.000
502	A	537	TRP	0	0.057	0.022	43.333	0.001	0.001	0.000	0.000	0.000	0.000
503	A	538	MET	0	-0.035	-0.017	42.333	0.002	0.002	0.000	0.000	0.000	0.000
504	A	539	ALA	0	0.025	0.028	43.344	0.001	0.001	0.000	0.000	0.000	0.000
505	A	540	ALA	0	0.022	0.021	42.468	0.001	0.001	0.000	0.000	0.000	0.000
506	A	541	LEU	0	-0.044	-0.025	38.985	0.001	0.001	0.000	0.000	0.000	0.000
507	A	542	ILE	0	-0.003	0.004	38.540	0.003	0.003	0.000	0.000	0.000	0.000
508	A	543	SER	0	-0.034	-0.044	38.900	-0.001	-0.001	0.000	0.000	0.000	0.000
509	A	544	LEU	0	0.009	0.014	33.650	-0.001	-0.001	0.000	0.000	0.000	0.000
510	A	545	GLN	0	0.030	-0.004	31.656	0.000	0.000	0.000	0.000	0.000	0.000
511	A	546	TYR	0	-0.001	0.014	34.123	0.003	0.003	0.000	0.000	0.000	0.000
512	A	547	ARG	1	0.905	0.950	36.780	-0.028	-0.028	0.000	0.000	0.000	0.000
513	A	548	SER	0	0.012	0.009	31.769	-0.004	-0.004	0.000	0.000	0.000	0.000
514	A	549	THR	0	0.047	0.007	34.189	-0.003	-0.003	0.000	0.000	0.000	0.000
515	A	550	LEU	0	0.000	0.014	35.115	-0.003	-0.003	0.000	0.000	0.000	0.000
516	A	551	GLU	-1	-0.785	-0.882	36.458	0.014	0.014	0.000	0.000	0.000	0.000
517	A	552	ARG	1	0.796	0.925	29.021	-0.040	-0.040	0.000	0.000	0.000	0.000
518	A	553	MET	0	0.016	0.000	35.445	-0.001	-0.001	0.000	0.000	0.000	0.000
519	A	554	LEU	0	-0.012	0.003	37.787	-0.002	-0.002	0.000	0.000	0.000	0.000
520	A	555	ASP	-1	-0.810	-0.921	36.782	0.005	0.005	0.000	0.000	0.000	0.000
521	A	556	VAL	0	-0.043	-0.016	35.320	-0.004	-0.004	0.000	0.000	0.000	0.000
522	A	557	THR	0	-0.002	0.003	38.105	-0.001	-0.001	0.000	0.000	0.000	0.000
523	A	558	MET	0	-0.021	-0.011	41.758	-0.001	-0.001	0.000	0.000	0.000	0.000
524	A	559	LEU	0	-0.013	0.004	37.017	-0.003	-0.003	0.000	0.000	0.000	0.000
525	A	560	GLN	0	-0.052	-0.026	40.508	-0.004	-0.004	0.000	0.000	0.000	0.000
526	A	561	GLU	-1	-0.793	-0.900	42.086	0.007	0.007	0.000	0.000	0.000	0.000
527	A	562	GLU	-1	-0.931	-0.953	43.936	-0.014	-0.014	0.000	0.000	0.000	0.000
528	A	563	LYS	1	0.824	0.918	40.291	0.004	0.004	0.000	0.000	0.000	0.000
529	A	564	GLU	-1	-0.986	-1.002	44.423	0.009	0.009	0.000	0.000	0.000	0.000
530	A	565	GLU	-1	-0.912	-0.949	47.003	-0.001	-0.001	0.000	0.000	0.000	0.000
531	A	566	GLN	0	-0.054	-0.014	49.523	-0.003	-0.003	0.000	0.000	0.000	0.000
532	A	567	MET	0	0.018	0.008	50.591	0.001	0.001	0.000	0.000	0.000	0.000
533	A	568	ARG	1	0.904	0.946	52.154	0.006	0.006	0.000	0.000	0.000	0.000
534	A	569	LEU	0	0.022	0.011	51.406	0.001	0.001	0.000	0.000	0.000	0.000
535	A	570	PRO	0	0.025	0.011	55.472	0.001	0.001	0.000	0.000	0.000	0.000
536	A	571	SER	0	0.025	0.011	58.965	-0.001	-0.001	0.000	0.000	0.000	0.000
537	A	572	ALA	0	0.034	0.006	58.844	0.000	0.000	0.000	0.000	0.000	0.000
538	A	573	ASP	-1	-0.941	-0.956	60.882	-0.017	-0.017	0.000	0.000	0.000	0.000
539	A	574	VAL	0	-0.079	-0.043	64.198	0.000	0.000	0.000	0.000	0.000	0.000
540	A	575	TYR	0	0.026	-0.003	60.157	0.000	0.000	0.000	0.000	0.000	0.000
541	A	576	ARG	1	1.003	0.996	61.802	0.019	0.019	0.000	0.000	0.000	0.000
542	A	577	PHE	0	-0.081	-0.045	59.991	-0.001	-0.001	0.000	0.000	0.000	0.000
543	A	578	ALA	0	0.007	0.024	57.580	-0.001	-0.001	0.000	0.000	0.000	0.000
544	A	579	GLU	-1	-1.008	-0.988	56.242	-0.027	-0.027	0.000	0.000	0.000	0.000
545	A	580	PRO	0	0.018	0.005	51.753	-0.001	-0.001	0.000	0.000	0.000	0.000
546	A	581	ASP	-1	-0.840	-0.914	50.358	-0.033	-0.033	0.000	0.000	0.000	0.000
547	A	582	SER	0	-0.014	-0.022	50.103	-0.001	-0.001	0.000	0.000	0.000	0.000
548	A	583	GLU	-1	-0.930	-0.960	46.712	-0.055	-0.055	0.000	0.000	0.000	0.000
549	A	584	GLU	-1	-0.969	-1.011	51.345	-0.036	-0.036	0.000	0.000	0.000	0.000
550	A	585	ASN	0	-0.010	-0.018	54.237	0.000	0.000	0.000	0.000	0.000	0.000
551	A	586	ILE	0	0.002	-0.009	51.807	0.002	0.002	0.000	0.000	0.000	0.000
552	A	587	ILE	0	-0.027	0.003	50.625	-0.002	-0.002	0.000	0.000	0.000	0.000
553	A	588	PHE	0	0.019	-0.004	47.562	0.002	0.002	0.000	0.000	0.000	0.000
554	A	589	GLU	-1	-0.827	-0.934	47.811	-0.053	-0.053	0.000	0.000	0.000	0.000
555	A	590	GLU	-1	-0.887	-0.948	42.288	-0.062	-0.062	0.000	0.000	0.000	0.000
556	A	591	ASN	0	-0.083	-0.038	43.351	-0.002	-0.002	0.000	0.000	0.000	0.000
557	A	592	MET	0	-0.033	0.008	44.472	0.000	0.000	0.000	0.000	0.000	0.000
558	A	593	GLN	0	0.023	0.018	44.129	-0.001	-0.001	0.000	0.000	0.000	0.000
559	A	594	PRO	0	0.043	0.022	39.287	-0.002	-0.002	0.000	0.000	0.000	0.000
560	A	595	LYS	1	0.840	0.961	38.518	0.047	0.047	0.000	0.000	0.000	0.000
561	A	596	ALA	0	0.036	-0.015	38.652	-0.003	-0.003	0.000	0.000	0.000	0.000
562	A	597	GLY	0	-0.008	-0.018	41.979	0.001	0.001	0.000	0.000	0.000	0.000
563	A	598	ILE	0	0.023	0.014	43.333	0.001	0.001	0.000	0.000	0.000	0.000
564	A	599	PRO	0	0.017	0.018	46.918	-0.002	-0.002	0.000	0.000	0.000	0.000
565	A	600	ILE	0	0.005	-0.003	48.234	0.002	0.002	0.000	0.000	0.000	0.000
566	A	601	ILE	0	0.056	0.038	50.283	-0.002	-0.002	0.000	0.000	0.000	0.000
567	A	602	LYS	1	0.796	0.914	51.766	0.048	0.048	0.000	0.000	0.000	0.000
568	A	603	ALA	0	-0.017	-0.023	53.819	0.001	0.001	0.000	0.000	0.000	0.000
569	A	604	GLY	0	0.089	0.037	55.439	-0.001	-0.001	0.000	0.000	0.000	0.000
570	A	605	THR	0	-0.026	0.011	57.757	0.001	0.001	0.000	0.000	0.000	0.000
571	A	606	VAL	0	0.070	0.022	60.568	0.000	0.000	0.000	0.000	0.000	0.000
572	A	607	ILE	0	0.014	0.012	60.728	0.000	0.000	0.000	0.000	0.000	0.000
573	A	608	LYS	1	0.968	0.972	56.118	0.028	0.028	0.000	0.000	0.000	0.000
574	A	609	LEU	0	-0.059	-0.024	57.762	0.000	0.000	0.000	0.000	0.000	0.000
575	A	610	ILE	0	0.024	0.007	59.344	0.000	0.000	0.000	0.000	0.000	0.000
576	A	611	GLU	-1	-0.907	-0.949	55.373	-0.025	-0.025	0.000	0.000	0.000	0.000
577	A	612	ARG	1	0.834	0.908	49.794	0.033	0.033	0.000	0.000	0.000	0.000
578	A	613	LEU	0	-0.052	-0.008	56.243	0.000	0.000	0.000	0.000	0.000	0.000
579	A	614	THR	0	-0.041	-0.017	58.917	0.001	0.001	0.000	0.000	0.000	0.000
580	A	615	TYR	0	0.011	0.013	50.103	0.000	0.000	0.000	0.000	0.000	0.000
581	A	616	HIS	0	0.065	0.015	51.445	0.000	0.000	0.000	0.000	0.000	0.000
582	A	617	MET	0	-0.018	-0.003	47.728	0.001	0.001	0.000	0.000	0.000	0.000
583	A	618	TYR	0	0.010	0.008	49.376	0.000	0.000	0.000	0.000	0.000	0.000
584	A	619	ALA	0	0.047	0.007	52.028	0.000	0.000	0.000	0.000	0.000	0.000
585	A	620	ASP	-1	-0.867	-0.930	52.533	-0.032	-0.032	0.000	0.000	0.000	0.000
586	A	621	PRO	0	0.032	0.009	54.720	0.001	0.001	0.000	0.000	0.000	0.000
587	A	622	ASN	0	0.028	-0.018	53.922	0.002	0.002	0.000	0.000	0.000	0.000
588	A	623	PHE	0	0.002	0.004	55.855	0.000	0.000	0.000	0.000	0.000	0.000
589	A	624	VAL	0	0.088	0.037	57.749	0.000	0.000	0.000	0.000	0.000	0.000
590	A	625	ARG	1	0.921	0.989	58.290	0.027	0.027	0.000	0.000	0.000	0.000
591	A	626	THR	0	0.004	-0.010	59.168	0.000	0.000	0.000	0.000	0.000	0.000
592	A	627	PHE	0	-0.005	-0.007	61.186	0.000	0.000	0.000	0.000	0.000	0.000
593	A	628	LEU	0	0.007	0.000	62.812	0.000	0.000	0.000	0.000	0.000	0.000
594	A	629	THR	0	-0.016	-0.001	65.017	0.001	0.001	0.000	0.000	0.000	0.000
595	A	630	THR	0	-0.069	-0.039	63.597	0.000	0.000	0.000	0.000	0.000	0.000
596	A	631	TYR	0	0.030	0.015	65.442	-0.001	-0.001	0.000	0.000	0.000	0.000
597	A	632	ARG	1	0.837	0.908	66.915	0.020	0.020	0.000	0.000	0.000	0.000
598	A	633	SER	0	-0.028	-0.008	66.672	0.000	0.000	0.000	0.000	0.000	0.000
599	A	634	PHE	0	-0.033	-0.015	63.562	0.000	0.000	0.000	0.000	0.000	0.000
600	A	635	CYS	0	-0.010	0.007	67.662	0.000	0.000	0.000	0.000	0.000	0.000
601	A	636	LYS	1	0.956	0.989	69.607	0.020	0.020	0.000	0.000	0.000	0.000
602	A	637	PRO	0	0.078	0.032	72.269	0.000	0.000	0.000	0.000	0.000	0.000
603	A	638	GLN	0	0.036	0.003	73.495	0.000	0.000	0.000	0.000	0.000	0.000
604	A	639	GLU	-1	-0.942	-0.962	70.312	-0.018	-0.018	0.000	0.000	0.000	0.000
605	A	640	LEU	0	0.010	-0.007	66.514	0.000	0.000	0.000	0.000	0.000	0.000
606	A	641	LEU	0	0.031	0.016	69.591	0.000	0.000	0.000	0.000	0.000	0.000
607	A	642	SER	0	0.009	-0.005	71.692	0.001	0.001	0.000	0.000	0.000	0.000
608	A	643	LEU	0	-0.022	0.012	66.893	0.000	0.000	0.000	0.000	0.000	0.000
609	A	644	ILE	0	-0.016	-0.014	66.233	0.000	0.000	0.000	0.000	0.000	0.000
610	A	645	ILE	0	-0.001	0.007	67.434	0.000	0.000	0.000	0.000	0.000	0.000
611	A	646	GLU	-1	-0.914	-0.946	66.250	-0.017	-0.017	0.000	0.000	0.000	0.000
612	A	647	ARG	1	0.824	0.906	57.426	0.020	0.020	0.000	0.000	0.000	0.000
613	A	648	PHE	0	-0.046	-0.033	64.024	0.000	0.000	0.000	0.000	0.000	0.000
614	A	649	GLU	-1	-0.891	-0.950	65.906	-0.009	-0.009	0.000	0.000	0.000	0.000
615	A	650	ILE	0	-0.029	-0.017	61.469	-0.001	-0.001	0.000	0.000	0.000	0.000
616	A	651	PRO	0	-0.025	-0.010	65.046	0.001	0.001	0.000	0.000	0.000	0.000
617	A	652	GLU	-1	-0.922	-0.968	63.998	-0.006	-0.006	0.000	0.000	0.000	0.000
618	A	653	PRO	0	-0.092	-0.050	60.449	0.000	0.000	0.000	0.000	0.000	0.000
619	A	654	GLU	-1	-0.896	-0.954	63.262	-0.006	-0.006	0.000	0.000	0.000	0.000
620	A	655	PRO	0	-0.027	-0.005	64.388	0.000	0.000	0.000	0.000	0.000	0.000
621	A	656	THR	0	-0.036	-0.013	61.625	0.000	0.000	0.000	0.000	0.000	0.000
622	A	657	GLU	-1	-0.905	-0.966	64.949	-0.001	-0.001	0.000	0.000	0.000	0.000
623	A	658	ALA	0	-0.048	-0.033	64.838	0.000	0.000	0.000	0.000	0.000	0.000
624	A	659	ASP	-1	-0.814	-0.924	64.538	0.001	0.001	0.000	0.000	0.000	0.000
625	A	660	ARG	1	0.966	0.993	67.489	0.000	0.000	0.000	0.000	0.000	0.000
626	A	661	ILE	0	-0.066	-0.045	70.699	0.000	0.000	0.000	0.000	0.000	0.000
627	A	662	ALA	0	0.043	0.013	68.694	0.000	0.000	0.000	0.000	0.000	0.000
628	A	663	ILE	0	-0.035	-0.002	70.797	0.000	0.000	0.000	0.000	0.000	0.000
629	A	664	GLU	-1	-1.005	-0.996	71.909	0.000	0.000	0.000	0.000	0.000	0.000
630	A	665	ASN	0	-0.037	-0.015	73.342	0.000	0.000	0.000	0.000	0.000	0.000
631	A	666	GLY	0	-0.035	-0.025	71.969	0.000	0.000	0.000	0.000	0.000	0.000
632	A	667	ASP	-1	-0.964	-0.988	65.972	0.008	0.008	0.000	0.000	0.000	0.000
633	A	668	GLN	0	-0.011	0.023	67.333	-0.001	-0.001	0.000	0.000	0.000	0.000
634	A	669	PRO	0	0.091	0.044	63.621	0.000	0.000	0.000	0.000	0.000	0.000
635	A	670	LEU	0	-0.030	-0.026	63.545	0.000	0.000	0.000	0.000	0.000	0.000
636	A	671	SER	0	0.000	0.003	62.728	-0.001	-0.001	0.000	0.000	0.000	0.000
637	A	672	ALA	0	-0.007	-0.010	59.819	-0.001	-0.001	0.000	0.000	0.000	0.000
638	A	673	GLU	-1	-0.909	-0.962	55.028	-0.001	-0.001	0.000	0.000	0.000	0.000
639	A	674	LEU	0	0.036	0.017	56.736	-0.001	-0.001	0.000	0.000	0.000	0.000
640	A	675	LYS	1	0.905	0.955	58.822	-0.001	-0.001	0.000	0.000	0.000	0.000
641	A	676	ARG	1	0.910	0.963	52.720	-0.004	-0.004	0.000	0.000	0.000	0.000
642	A	677	PHE	0	0.059	0.046	53.351	-0.001	-0.001	0.000	0.000	0.000	0.000
643	A	678	ARG	1	0.949	0.961	55.919	0.005	0.005	0.000	0.000	0.000	0.000
644	A	679	LYS	1	0.912	0.961	58.707	0.002	0.002	0.000	0.000	0.000	0.000
645	A	680	GLU	-1	-0.899	-0.949	52.863	-0.010	-0.010	0.000	0.000	0.000	0.000
646	A	681	TYR	0	-0.036	-0.001	55.252	-0.001	-0.001	0.000	0.000	0.000	0.000
647	A	682	ILE	0	0.015	-0.014	57.271	-0.001	-0.001	0.000	0.000	0.000	0.000
648	A	683	GLN	0	-0.001	0.017	59.030	-0.001	-0.001	0.000	0.000	0.000	0.000
649	A	684	PRO	0	0.072	0.047	55.755	-0.001	-0.001	0.000	0.000	0.000	0.000
650	A	685	VAL	0	-0.011	-0.006	58.164	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	686	GLN	0	-0.006	-0.023	60.090	0.000	0.000	0.000	0.000	0.000	0.000
652	A	687	LEU	0	0.020	0.032	60.212	0.000	0.000	0.000	0.000	0.000	0.000
653	A	688	ARG	1	0.882	0.951	54.771	0.018	0.018	0.000	0.000	0.000	0.000
654	A	689	VAL	0	-0.026	-0.003	61.864	-0.001	-0.001	0.000	0.000	0.000	0.000
655	A	690	LEU	0	0.000	-0.010	64.887	0.000	0.000	0.000	0.000	0.000	0.000
656	A	691	ASN	0	0.063	0.033	61.022	0.000	0.000	0.000	0.000	0.000	0.000
657	A	692	VAL	0	-0.044	-0.020	62.893	0.000	0.000	0.000	0.000	0.000	0.000
658	A	693	CYS	0	-0.001	-0.008	65.383	0.000	0.000	0.000	0.000	0.000	0.000
659	A	694	ARG	1	0.965	0.996	66.478	0.014	0.014	0.000	0.000	0.000	0.000
660	A	695	HIS	1	0.827	0.900	63.461	0.018	0.018	0.000	0.000	0.000	0.000
661	A	696	TRP	0	-0.026	-0.001	68.080	0.000	0.000	0.000	0.000	0.000	0.000
662	A	697	VAL	0	0.002	-0.013	70.348	0.000	0.000	0.000	0.000	0.000	0.000
663	A	698	GLU	-1	-0.932	-0.966	69.803	-0.014	-0.014	0.000	0.000	0.000	0.000
664	A	699	HIS	0	-0.066	-0.042	68.239	0.000	0.000	0.000	0.000	0.000	0.000
665	A	700	HIS	0	0.020	0.011	68.244	-0.001	-0.001	0.000	0.000	0.000	0.000
666	A	701	PHE	0	-0.019	-0.001	73.494	0.000	0.000	0.000	0.000	0.000	0.000
667	A	702	TYR	0	0.119	0.077	72.182	0.000	0.000	0.000	0.000	0.000	0.000
668	A	703	ASP	-1	-0.835	-0.924	73.665	-0.018	-0.018	0.000	0.000	0.000	0.000
669	A	704	PHE	0	-0.035	-0.034	73.741	0.000	0.000	0.000	0.000	0.000	0.000
670	A	705	GLU	-1	-0.969	-0.966	79.148	-0.013	-0.013	0.000	0.000	0.000	0.000
671	A	706	ARG	1	0.851	0.931	76.606	0.017	0.017	0.000	0.000	0.000	0.000
672	A	707	ASP	-1	-0.833	-0.909	80.372	-0.014	-0.014	0.000	0.000	0.000	0.000
673	A	708	ALA	0	0.028	0.004	81.804	0.000	0.000	0.000	0.000	0.000	0.000
674	A	709	TYR	0	0.025	0.004	81.025	0.000	0.000	0.000	0.000	0.000	0.000
675	A	710	LEU	0	-0.038	-0.017	75.696	0.000	0.000	0.000	0.000	0.000	0.000
676	A	711	LEU	0	-0.001	-0.012	78.764	0.000	0.000	0.000	0.000	0.000	0.000
677	A	712	GLN	0	-0.027	0.004	80.100	0.000	0.000	0.000	0.000	0.000	0.000
678	A	713	ARG	1	0.883	0.923	75.210	0.014	0.014	0.000	0.000	0.000	0.000
679	A	714	MET	0	-0.008	0.010	72.848	0.000	0.000	0.000	0.000	0.000	0.000
680	A	715	GLU	-1	-0.870	-0.950	76.860	-0.010	-0.010	0.000	0.000	0.000	0.000
681	A	716	GLU	-1	-0.923	-0.957	79.450	-0.009	-0.009	0.000	0.000	0.000	0.000
682	A	717	PHE	0	-0.011	-0.005	70.177	0.000	0.000	0.000	0.000	0.000	0.000
683	A	718	ILE	0	0.019	0.008	73.107	0.000	0.000	0.000	0.000	0.000	0.000
684	A	719	GLY	0	0.009	0.016	75.561	0.000	0.000	0.000	0.000	0.000	0.000
685	A	720	THR	0	-0.123	-0.063	75.266	0.001	0.001	0.000	0.000	0.000	0.000
686	A	721	VAL	0	0.031	0.026	70.750	0.000	0.000	0.000	0.000	0.000	0.000
687	A	722	ARG	1	0.940	0.971	72.570	0.007	0.007	0.000	0.000	0.000	0.000
688	A	723	GLY	0	0.021	-0.013	70.055	0.000	0.000	0.000	0.000	0.000	0.000
689	A	724	LYS	1	0.895	0.942	67.417	0.001	0.001	0.000	0.000	0.000	0.000
690	A	725	ALA	0	0.121	0.063	66.219	0.000	0.000	0.000	0.000	0.000	0.000
691	A	726	MET	0	-0.013	0.002	67.143	0.000	0.000	0.000	0.000	0.000	0.000
692	A	727	LYS	1	1.003	0.999	69.613	0.003	0.003	0.000	0.000	0.000	0.000
693	A	728	LYS	1	0.925	1.004	67.199	0.004	0.004	0.000	0.000	0.000	0.000
694	A	729	TRP	0	0.051	0.003	63.641	0.000	0.000	0.000	0.000	0.000	0.000
695	A	730	VAL	0	0.001	0.005	69.869	-0.001	-0.001	0.000	0.000	0.000	0.000
696	A	731	GLU	-1	-0.908	-0.966	73.174	-0.007	-0.007	0.000	0.000	0.000	0.000
697	A	732	SER	0	-0.077	-0.021	69.773	0.000	0.000	0.000	0.000	0.000	0.000
698	A	733	ILE	0	0.012	0.000	69.993	0.000	0.000	0.000	0.000	0.000	0.000
699	A	734	THR	0	0.044	0.015	73.634	0.000	0.000	0.000	0.000	0.000	0.000
700	A	735	LYS	1	0.931	0.980	75.343	0.008	0.008	0.000	0.000	0.000	0.000
701	A	736	ILE	0	-0.026	-0.015	72.808	0.000	0.000	0.000	0.000	0.000	0.000
702	A	737	ILE	0	0.016	0.006	76.176	0.000	0.000	0.000	0.000	0.000	0.000
703	A	738	GLN	0	-0.035	-0.025	78.461	0.000	0.000	0.000	0.000	0.000	0.000
704	A	739	ARG	1	0.971	0.982	73.929	0.012	0.012	0.000	0.000	0.000	0.000
705	A	740	LYS	1	0.872	0.955	74.722	0.014	0.014	0.000	0.000	0.000	0.000
706	A	741	LYS	1	0.882	0.944	80.339	0.010	0.010	0.000	0.000	0.000	0.000
707	A	742	ILE	0	-0.007	0.001	82.453	0.000	0.000	0.000	0.000	0.000	0.000
708	A	743	ALA	0	-0.048	-0.029	81.593	0.000	0.000	0.000	0.000	0.000	0.000
709	A	744	ARG	1	0.922	0.967	83.632	0.012	0.012	0.000	0.000	0.000	0.000
710	A	745	ASP	-1	-0.938	-0.957	85.285	-0.010	-0.010	0.000	0.000	0.000	0.000
711	A	746	ASN	0	-0.058	-0.026	88.241	0.000	0.000	0.000	0.000	0.000	0.000
712	A	747	GLY	0	0.062	-0.005	87.052	0.000	0.000	0.000	0.000	0.000	0.000
713	A	748	PRO	0	-0.053	-0.011	82.475	0.000	0.000	0.000	0.000	0.000	0.000
714	A	749	GLY	0	0.034	0.016	81.725	0.000	0.000	0.000	0.000	0.000	0.000
715	A	750	HIS	0	-0.029	0.018	82.696	-0.001	-0.001	0.000	0.000	0.000	0.000
716	A	751	ASN	0	-0.064	-0.035	85.739	0.000	0.000	0.000	0.000	0.000	0.000
717	A	752	ILE	0	0.009	0.021	80.940	0.000	0.000	0.000	0.000	0.000	0.000
718	A	753	THR	0	0.026	0.008	82.548	0.000	0.000	0.000	0.000	0.000	0.000
719	A	754	PHE	0	-0.009	-0.011	80.481	0.000	0.000	0.000	0.000	0.000	0.000
720	A	755	GLN	0	0.018	0.010	78.214	0.001	0.001	0.000	0.000	0.000	0.000
721	A	756	SER	0	-0.061	-0.007	80.647	0.000	0.000	0.000	0.000	0.000	0.000
722	A	757	SER	0	0.036	-0.009	81.333	0.000	0.000	0.000	0.000	0.000	0.000
723	A	758	PRO	0	0.016	-0.009	84.394	0.000	0.000	0.000	0.000	0.000	0.000
724	A	759	PRO	0	-0.011	0.008	84.752	0.000	0.000	0.000	0.000	0.000	0.000
725	A	760	THR	0	-0.021	-0.005	87.795	0.000	0.000	0.000	0.000	0.000	0.000
726	A	761	VAL	0	-0.010	-0.001	91.334	0.000	0.000	0.000	0.000	0.000	0.000
727	A	762	GLU	-1	-0.897	-0.946	91.980	-0.012	-0.012	0.000	0.000	0.000	0.000
728	A	763	TRP	0	0.010	-0.005	94.485	0.000	0.000	0.000	0.000	0.000	0.000
729	A	764	HIS	0	0.038	0.055	97.851	0.000	0.000	0.000	0.000	0.000	0.000
730	A	765	ILE	0	-0.041	-0.017	99.648	0.000	0.000	0.000	0.000	0.000	0.000
731	A	766	SER	0	-0.096	-0.050	102.111	0.000	0.000	0.000	0.000	0.000	0.000
732	A	767	ARG	1	0.982	0.969	102.583	0.009	0.009	0.000	0.000	0.000	0.000
733	A	768	PRO	0	0.052	0.020	100.415	0.000	0.000	0.000	0.000	0.000	0.000
734	A	769	GLY	0	0.046	0.037	101.107	0.000	0.000	0.000	0.000	0.000	0.000
735	A	770	HIS	0	-0.101	-0.041	102.748	0.000	0.000	0.000	0.000	0.000	0.000
736	A	771	ILE	0	0.062	0.014	100.142	0.000	0.000	0.000	0.000	0.000	0.000
737	A	772	GLU	-1	-0.901	-0.951	102.212	-0.010	-0.010	0.000	0.000	0.000	0.000
738	A	773	THR	0	-0.118	-0.060	104.051	0.000	0.000	0.000	0.000	0.000	0.000
739	A	774	PHE	0	-0.013	-0.003	97.331	0.000	0.000	0.000	0.000	0.000	0.000
740	A	775	ASP	-1	-0.799	-0.917	99.217	-0.013	-0.013	0.000	0.000	0.000	0.000
741	A	776	LEU	0	-0.022	0.000	93.535	0.000	0.000	0.000	0.000	0.000	0.000
742	A	777	LEU	0	-0.038	-0.026	96.671	0.000	0.000	0.000	0.000	0.000	0.000
743	A	778	THR	0	-0.012	0.010	99.115	0.000	0.000	0.000	0.000	0.000	0.000
744	A	779	LEU	0	0.043	0.000	95.125	0.000	0.000	0.000	0.000	0.000	0.000
745	A	780	HIS	0	0.047	0.015	92.968	0.000	0.000	0.000	0.000	0.000	0.000
746	A	781	PRO	0	0.012	-0.001	92.014	0.000	0.000	0.000	0.000	0.000	0.000
747	A	782	ILE	0	0.053	0.013	88.156	0.000	0.000	0.000	0.000	0.000	0.000
748	A	783	GLU	-1	-0.818	-0.907	88.890	-0.013	-0.013	0.000	0.000	0.000	0.000
749	A	784	ILE	0	0.007	0.005	90.213	0.000	0.000	0.000	0.000	0.000	0.000
750	A	785	ALA	0	0.030	0.020	85.764	0.000	0.000	0.000	0.000	0.000	0.000
751	A	786	ARG	1	0.904	0.967	85.565	0.013	0.013	0.000	0.000	0.000	0.000
752	A	787	GLN	0	0.016	-0.003	85.794	0.000	0.000	0.000	0.000	0.000	0.000
753	A	788	LEU	0	0.011	0.015	86.159	0.000	0.000	0.000	0.000	0.000	0.000
754	A	789	THR	0	0.004	-0.015	80.803	-0.001	-0.001	0.000	0.000	0.000	0.000
755	A	790	LEU	0	-0.056	-0.025	81.952	0.000	0.000	0.000	0.000	0.000	0.000
756	A	791	LEU	0	-0.020	0.008	82.951	0.000	0.000	0.000	0.000	0.000	0.000
757	A	792	GLU	-1	-0.790	-0.910	81.259	-0.018	-0.018	0.000	0.000	0.000	0.000
758	A	793	SER	0	0.016	0.012	78.211	-0.001	-0.001	0.000	0.000	0.000	0.000
759	A	794	ASP	-1	-0.976	-0.984	78.477	-0.015	-0.015	0.000	0.000	0.000	0.000
760	A	795	LEU	0	-0.052	-0.026	79.737	0.000	0.000	0.000	0.000	0.000	0.000
761	A	796	TYR	0	0.035	0.006	70.626	-0.001	-0.001	0.000	0.000	0.000	0.000
762	A	797	ARG	1	0.923	0.960	74.899	0.016	0.016	0.000	0.000	0.000	0.000
763	A	798	ALA	0	-0.035	-0.012	75.348	0.000	0.000	0.000	0.000	0.000	0.000
764	A	799	VAL	0	-0.030	-0.004	73.476	0.000	0.000	0.000	0.000	0.000	0.000
765	A	800	GLN	0	0.029	0.024	73.031	-0.001	-0.001	0.000	0.000	0.000	0.000
766	A	801	PRO	0	0.044	0.011	68.065	0.000	0.000	0.000	0.000	0.000	0.000
767	A	802	SER	0	-0.012	-0.036	69.825	-0.001	-0.001	0.000	0.000	0.000	0.000
768	A	803	GLU	-1	-0.861	-0.917	71.309	-0.019	-0.019	0.000	0.000	0.000	0.000
769	A	804	LEU	0	0.000	-0.011	70.412	0.000	0.000	0.000	0.000	0.000	0.000
770	A	805	VAL	0	-0.021	-0.010	67.070	-0.001	-0.001	0.000	0.000	0.000	0.000
771	A	806	GLY	0	-0.009	-0.012	68.967	0.001	0.001	0.000	0.000	0.000	0.000
772	A	807	SER	0	0.013	0.011	70.172	0.000	0.000	0.000	0.000	0.000	0.000
773	A	808	VAL	0	-0.008	0.017	73.095	0.001	0.001	0.000	0.000	0.000	0.000
774	A	809	TRP	0	0.008	0.018	71.430	0.001	0.001	0.000	0.000	0.000	0.000
775	A	810	THR	0	-0.091	-0.064	75.968	0.000	0.000	0.000	0.000	0.000	0.000
776	A	811	LYS	1	0.929	0.987	77.312	0.020	0.020	0.000	0.000	0.000	0.000
777	A	812	GLU	-1	-0.925	-0.980	79.182	-0.018	-0.018	0.000	0.000	0.000	0.000
778	A	813	ASP	-1	-0.921	-0.959	80.787	-0.017	-0.017	0.000	0.000	0.000	0.000
779	A	814	LYS	1	0.939	0.975	80.371	0.018	0.018	0.000	0.000	0.000	0.000
780	A	815	GLU	-1	-0.856	-0.952	81.240	-0.017	-0.017	0.000	0.000	0.000	0.000
781	A	816	ILE	0	-0.013	0.006	80.648	0.000	0.000	0.000	0.000	0.000	0.000
782	A	817	ASN	0	-0.080	-0.047	76.573	-0.001	-0.001	0.000	0.000	0.000	0.000
783	A	818	SER	0	0.031	0.005	76.349	0.000	0.000	0.000	0.000	0.000	0.000
784	A	819	PRO	0	0.006	0.004	78.802	0.000	0.000	0.000	0.000	0.000	0.000
785	A	820	ASN	0	-0.027	-0.022	77.819	0.001	0.001	0.000	0.000	0.000	0.000
786	A	821	LEU	0	-0.003	0.006	75.299	0.000	0.000	0.000	0.000	0.000	0.000
787	A	822	LEU	0	-0.001	-0.009	78.642	0.000	0.000	0.000	0.000	0.000	0.000
788	A	823	LYS	1	0.931	0.971	81.912	0.015	0.015	0.000	0.000	0.000	0.000
789	A	824	MET	0	0.005	0.016	76.362	0.000	0.000	0.000	0.000	0.000	0.000
790	A	825	ILE	0	0.011	0.000	78.624	0.000	0.000	0.000	0.000	0.000	0.000
791	A	826	ARG	1	0.871	0.924	82.126	0.017	0.017	0.000	0.000	0.000	0.000
792	A	827	HIS	0	-0.001	0.016	84.199	0.001	0.001	0.000	0.000	0.000	0.000
793	A	828	THR	0	-0.004	-0.001	81.989	0.000	0.000	0.000	0.000	0.000	0.000
794	A	829	THR	0	-0.013	0.001	84.580	0.000	0.000	0.000	0.000	0.000	0.000
795	A	830	ASN	0	0.036	0.016	86.882	0.000	0.000	0.000	0.000	0.000	0.000
796	A	831	LEU	0	0.007	0.016	86.389	0.000	0.000	0.000	0.000	0.000	0.000
797	A	832	THR	0	-0.001	-0.008	85.794	0.000	0.000	0.000	0.000	0.000	0.000
798	A	833	LEU	0	0.041	0.013	88.362	0.000	0.000	0.000	0.000	0.000	0.000
799	A	834	TRP	0	-0.003	-0.012	91.489	0.000	0.000	0.000	0.000	0.000	0.000
800	A	835	PHE	0	0.008	-0.001	87.656	0.000	0.000	0.000	0.000	0.000	0.000
801	A	836	GLU	-1	-0.831	-0.941	89.577	-0.017	-0.017	0.000	0.000	0.000	0.000
802	A	837	LYS	1	0.863	0.946	93.521	0.014	0.014	0.000	0.000	0.000	0.000
803	A	838	CYS	0	-0.050	-0.026	95.646	0.000	0.000	0.000	0.000	0.000	0.000
804	A	839	ILE	0	-0.037	-0.006	92.728	0.000	0.000	0.000	0.000	0.000	0.000
805	A	840	VAL	0	-0.014	-0.018	96.287	0.000	0.000	0.000	0.000	0.000	0.000
806	A	841	GLU	-1	-0.842	-0.924	98.928	-0.013	-0.013	0.000	0.000	0.000	0.000
807	A	842	THR	0	-0.104	-0.039	100.321	0.001	0.001	0.000	0.000	0.000	0.000
808	A	843	GLU	-1	-0.832	-0.929	102.341	-0.013	-0.013	0.000	0.000	0.000	0.000
809	A	844	ASN	0	-0.044	-0.018	104.802	0.000	0.000	0.000	0.000	0.000	0.000
810	A	845	LEU	0	0.030	0.016	100.557	0.000	0.000	0.000	0.000	0.000	0.000
811	A	846	GLU	-1	-0.878	-0.955	101.779	-0.013	-0.013	0.000	0.000	0.000	0.000
812	A	847	GLU	-1	-0.813	-0.928	102.124	-0.012	-0.012	0.000	0.000	0.000	0.000
813	A	848	ARG	1	0.851	0.916	98.189	0.014	0.014	0.000	0.000	0.000	0.000
814	A	849	VAL	0	0.003	0.013	97.130	0.000	0.000	0.000	0.000	0.000	0.000
815	A	850	ALA	0	-0.027	-0.008	96.696	0.000	0.000	0.000	0.000	0.000	0.000
816	A	851	VAL	0	-0.009	-0.005	95.790	0.000	0.000	0.000	0.000	0.000	0.000
817	A	852	VAL	0	0.049	0.024	92.118	0.000	0.000	0.000	0.000	0.000	0.000
818	A	853	SER	0	-0.073	-0.044	92.278	0.000	0.000	0.000	0.000	0.000	0.000
819	A	854	ARG	1	0.880	0.927	92.232	0.013	0.013	0.000	0.000	0.000	0.000
820	A	855	ILE	0	0.038	0.013	89.182	0.000	0.000	0.000	0.000	0.000	0.000
821	A	856	ILE	0	-0.007	0.007	87.131	0.000	0.000	0.000	0.000	0.000	0.000
822	A	857	GLU	-1	-0.898	-0.944	87.333	-0.015	-0.015	0.000	0.000	0.000	0.000
823	A	858	ILE	0	-0.027	-0.021	87.361	0.000	0.000	0.000	0.000	0.000	0.000
824	A	859	LEU	0	0.005	0.019	81.928	0.000	0.000	0.000	0.000	0.000	0.000
825	A	860	GLN	0	-0.044	-0.033	83.286	0.000	0.000	0.000	0.000	0.000	0.000
826	A	861	VAL	0	0.010	-0.010	82.831	0.000	0.000	0.000	0.000	0.000	0.000
827	A	862	PHE	0	0.011	0.016	81.584	0.000	0.000	0.000	0.000	0.000	0.000
828	A	863	GLN	0	-0.028	-0.008	77.315	-0.001	-0.001	0.000	0.000	0.000	0.000
829	A	864	GLU	-1	-0.943	-0.958	78.171	-0.017	-0.017	0.000	0.000	0.000	0.000
830	A	865	LEU	0	-0.050	-0.012	78.982	0.000	0.000	0.000	0.000	0.000	0.000
831	A	866	ASN	0	0.038	0.014	74.232	0.000	0.000	0.000	0.000	0.000	0.000
832	A	867	ASN	0	0.016	0.003	76.269	-0.001	-0.001	0.000	0.000	0.000	0.000
833	A	868	PHE	0	0.055	-0.002	72.907	0.000	0.000	0.000	0.000	0.000	0.000
834	A	869	ASN	0	0.006	0.018	77.026	-0.001	-0.001	0.000	0.000	0.000	0.000
835	A	870	GLY	0	0.090	0.041	78.870	0.000	0.000	0.000	0.000	0.000	0.000
836	A	871	VAL	0	-0.056	-0.031	79.115	0.000	0.000	0.000	0.000	0.000	0.000
837	A	872	LEU	0	0.004	-0.010	75.666	0.000	0.000	0.000	0.000	0.000	0.000
838	A	873	GLH	0	-0.055	-0.040	80.355	0.000	0.000	0.000	0.000	0.000	0.000
839	A	874	VAL	0	0.007	0.012	83.415	0.000	0.000	0.000	0.000	0.000	0.000
840	A	875	VAL	0	-0.029	-0.020	80.497	0.000	0.000	0.000	0.000	0.000	0.000
841	A	876	SER	0	-0.021	-0.009	82.336	0.000	0.000	0.000	0.000	0.000	0.000
842	A	877	ALA	0	0.019	0.019	84.460	0.000	0.000	0.000	0.000	0.000	0.000
843	A	878	MET	0	-0.074	-0.024	86.039	0.000	0.000	0.000	0.000	0.000	0.000
844	A	879	ASN	0	0.022	0.007	82.029	0.000	0.000	0.000	0.000	0.000	0.000
845	A	880	SER	0	-0.013	0.010	86.220	0.000	0.000	0.000	0.000	0.000	0.000
846	A	881	SER	0	0.007	-0.012	88.763	0.000	0.000	0.000	0.000	0.000	0.000
847	A	882	PRO	0	-0.025	-0.020	91.103	0.000	0.000	0.000	0.000	0.000	0.000
848	A	883	VAL	0	0.055	0.025	91.268	0.001	0.001	0.000	0.000	0.000	0.000
849	A	884	TYR	0	-0.020	0.001	85.194	0.000	0.000	0.000	0.000	0.000	0.000
850	A	885	ARG	1	0.834	0.926	90.524	0.016	0.016	0.000	0.000	0.000	0.000
851	A	886	LEU	0	-0.062	-0.013	93.529	0.000	0.000	0.000	0.000	0.000	0.000
852	A	887	ASP	-1	-0.851	-0.929	93.659	-0.018	-0.018	0.000	0.000	0.000	0.000
853	A	888	HIS	0	-0.032	-0.026	95.454	0.000	0.000	0.000	0.000	0.000	0.000
854	A	889	THR	0	-0.030	-0.014	96.030	0.000	0.000	0.000	0.000	0.000	0.000
855	A	890	PHE	0	-0.051	-0.026	89.742	0.000	0.000	0.000	0.000	0.000	0.000
856	A	891	GLU	-1	-0.942	-0.961	93.050	-0.016	-0.016	0.000	0.000	0.000	0.000
857	A	892	GLN	0	-0.061	-0.034	95.581	0.000	0.000	0.000	0.000	0.000	0.000
858	A	893	ILE	0	0.007	0.018	90.937	0.000	0.000	0.000	0.000	0.000	0.000
859	A	894	PRO	0	-0.002	-0.019	91.866	0.000	0.000	0.000	0.000	0.000	0.000
860	A	895	SER	0	0.060	0.011	89.418	0.000	0.000	0.000	0.000	0.000	0.000
861	A	896	ARG	1	0.939	0.965	87.401	0.015	0.015	0.000	0.000	0.000	0.000
862	A	897	GLN	0	0.055	0.031	86.542	0.000	0.000	0.000	0.000	0.000	0.000
863	A	898	LYS	1	0.948	0.996	86.713	0.017	0.017	0.000	0.000	0.000	0.000
864	A	899	LYS	1	0.954	0.981	82.932	0.020	0.020	0.000	0.000	0.000	0.000
865	A	900	ILE	0	-0.013	0.006	82.155	0.000	0.000	0.000	0.000	0.000	0.000
866	A	901	LEU	0	-0.019	-0.009	82.270	0.000	0.000	0.000	0.000	0.000	0.000
867	A	902	GLU	-1	-0.893	-0.963	81.598	-0.022	-0.022	0.000	0.000	0.000	0.000
868	A	903	GLU	-1	-0.882	-0.928	76.133	-0.024	-0.024	0.000	0.000	0.000	0.000
869	A	904	ALA	0	-0.032	-0.034	77.573	-0.001	-0.001	0.000	0.000	0.000	0.000
870	A	905	HIS	0	-0.011	-0.012	78.218	-0.001	-0.001	0.000	0.000	0.000	0.000
871	A	906	GLU	-1	-0.847	-0.907	74.866	-0.026	-0.026	0.000	0.000	0.000	0.000
872	A	907	LEU	0	-0.120	-0.056	73.700	-0.001	-0.001	0.000	0.000	0.000	0.000
873	A	908	SER	0	0.011	-0.005	73.105	-0.001	-0.001	0.000	0.000	0.000	0.000
874	A	909	GLU	-1	-0.938	-0.950	73.250	-0.028	-0.028	0.000	0.000	0.000	0.000
875	A	910	ASP	-1	-0.933	-0.976	68.051	-0.033	-0.033	0.000	0.000	0.000	0.000
876	A	911	HIS	0	-0.071	-0.046	67.516	0.000	0.000	0.000	0.000	0.000	0.000
877	A	912	TYR	0	0.036	0.012	68.597	0.000	0.000	0.000	0.000	0.000	0.000
878	A	913	LYS	1	0.952	0.998	64.331	0.035	0.035	0.000	0.000	0.000	0.000
879	A	914	LYS	1	0.835	0.913	67.755	0.025	0.025	0.000	0.000	0.000	0.000
880	A	915	TYR	0	0.073	0.035	70.102	0.001	0.001	0.000	0.000	0.000	0.000
881	A	916	LEU	0	0.021	0.017	63.687	0.000	0.000	0.000	0.000	0.000	0.000
882	A	917	ALA	0	-0.056	-0.040	65.404	0.000	0.000	0.000	0.000	0.000	0.000
883	A	918	LYS	1	0.929	0.975	66.423	0.023	0.023	0.000	0.000	0.000	0.000
884	A	919	LEU	0	-0.005	0.006	68.023	0.001	0.001	0.000	0.000	0.000	0.000
885	A	920	ARG	1	0.940	0.962	58.421	0.035	0.035	0.000	0.000	0.000	0.000
886	A	921	SER	0	-0.076	-0.023	64.910	0.000	0.000	0.000	0.000	0.000	0.000
887	A	922	ILE	0	-0.054	-0.022	67.071	0.001	0.001	0.000	0.000	0.000	0.000
888	A	923	ASN	0	0.012	-0.006	67.195	-0.001	-0.001	0.000	0.000	0.000	0.000
889	A	924	PRO	0	-0.037	0.007	69.159	0.001	0.001	0.000	0.000	0.000	0.000
890	A	925	PRO	0	-0.013	0.000	72.170	0.000	0.000	0.000	0.000	0.000	0.000
891	A	926	CYS	0	-0.070	-0.053	71.461	0.000	0.000	0.000	0.000	0.000	0.000
892	A	927	VAL	0	0.022	0.028	74.499	0.000	0.000	0.000	0.000	0.000	0.000
893	A	928	PRO	0	-0.010	-0.003	71.340	0.000	0.000	0.000	0.000	0.000	0.000
894	A	929	PHE	0	0.043	0.012	73.324	0.001	0.001	0.000	0.000	0.000	0.000
895	A	930	PHE	0	0.061	0.003	72.769	-0.001	-0.001	0.000	0.000	0.000	0.000
896	A	931	GLY	0	0.018	0.008	73.118	0.000	0.000	0.000	0.000	0.000	0.000
897	A	932	ILE	0	-0.007	-0.010	67.954	-0.001	-0.001	0.000	0.000	0.000	0.000
898	A	933	TYR	0	0.025	0.024	66.925	-0.001	-0.001	0.000	0.000	0.000	0.000
899	A	934	LEU	0	0.021	0.012	68.889	-0.001	-0.001	0.000	0.000	0.000	0.000
900	A	935	THR	0	0.005	0.009	68.857	-0.001	-0.001	0.000	0.000	0.000	0.000
901	A	936	ASN	0	-0.026	-0.019	64.885	-0.001	-0.001	0.000	0.000	0.000	0.000
902	A	937	ILE	0	0.018	0.002	65.759	-0.001	-0.001	0.000	0.000	0.000	0.000
903	A	938	LEU	0	0.012	0.025	66.708	-0.001	-0.001	0.000	0.000	0.000	0.000
904	A	939	LYS	1	0.962	0.974	64.751	0.033	0.033	0.000	0.000	0.000	0.000
905	A	940	THR	0	-0.067	-0.019	61.315	-0.002	-0.002	0.000	0.000	0.000	0.000
906	A	941	GLU	-1	-0.959	-1.000	62.992	-0.029	-0.029	0.000	0.000	0.000	0.000
907	A	942	GLU	-1	-0.902	-0.957	65.495	-0.030	-0.030	0.000	0.000	0.000	0.000
908	A	943	GLY	0	0.007	0.023	62.334	-0.001	-0.001	0.000	0.000	0.000	0.000
909	A	944	ASN	0	-0.119	-0.075	58.788	-0.002	-0.002	0.000	0.000	0.000	0.000
910	A	945	PRO	0	0.079	0.032	59.444	0.002	0.002	0.000	0.000	0.000	0.000
911	A	946	GLU	-1	-0.918	-0.967	61.432	-0.030	-0.030	0.000	0.000	0.000	0.000
912	A	947	VAL	0	-0.008	0.005	61.538	0.000	0.000	0.000	0.000	0.000	0.000
913	A	948	LEU	0	-0.050	-0.036	55.141	-0.002	-0.002	0.000	0.000	0.000	0.000
914	A	949	LYS	1	0.939	0.978	58.759	0.033	0.033	0.000	0.000	0.000	0.000
915	A	950	ARG	1	0.926	0.965	52.384	0.044	0.044	0.000	0.000	0.000	0.000
916	A	951	HIS	0	0.102	0.057	51.409	0.003	0.003	0.000	0.000	0.000	0.000
917	A	952	GLY	0	-0.031	-0.006	56.713	0.001	0.001	0.000	0.000	0.000	0.000
918	A	953	LYS	1	0.965	0.990	58.831	0.031	0.031	0.000	0.000	0.000	0.000
919	A	954	GLU	-1	-0.926	-0.989	60.322	-0.031	-0.031	0.000	0.000	0.000	0.000
920	A	955	LEU	0	-0.068	0.008	56.617	0.001	0.001	0.000	0.000	0.000	0.000
921	A	956	ILE	0	0.066	0.024	59.880	-0.001	-0.001	0.000	0.000	0.000	0.000
922	A	957	ASN	0	-0.003	-0.026	57.769	-0.001	-0.001	0.000	0.000	0.000	0.000
923	A	958	PHE	0	0.048	0.006	57.261	0.001	0.001	0.000	0.000	0.000	0.000
924	A	959	SER	0	-0.001	-0.019	55.184	-0.001	-0.001	0.000	0.000	0.000	0.000
925	A	960	LYS	1	0.824	0.949	57.168	0.033	0.033	0.000	0.000	0.000	0.000
926	A	961	ARG	1	0.879	0.970	60.593	0.031	0.031	0.000	0.000	0.000	0.000
927	A	962	ARG	1	0.932	0.967	53.837	0.040	0.040	0.000	0.000	0.000	0.000
928	A	963	LYS	1	0.930	0.975	55.615	0.043	0.043	0.000	0.000	0.000	0.000
929	A	964	VAL	0	0.021	0.009	59.589	0.000	0.000	0.000	0.000	0.000	0.000
930	A	965	ALA	0	0.027	0.009	61.144	0.001	0.001	0.000	0.000	0.000	0.000
931	A	966	GLU	-1	-0.934	-0.957	57.054	-0.035	-0.035	0.000	0.000	0.000	0.000
932	A	967	ILE	0	-0.022	0.001	60.728	0.000	0.000	0.000	0.000	0.000	0.000
933	A	968	THR	0	-0.083	-0.060	63.756	0.001	0.001	0.000	0.000	0.000	0.000
934	A	969	GLY	0	0.033	0.015	63.049	0.001	0.001	0.000	0.000	0.000	0.000
935	A	970	GLU	-1	-0.944	-0.976	61.938	-0.031	-0.031	0.000	0.000	0.000	0.000
936	A	971	ILE	0	-0.040	-0.021	65.062	0.001	0.001	0.000	0.000	0.000	0.000
937	A	972	GLN	0	0.040	0.002	65.821	0.002	0.002	0.000	0.000	0.000	0.000
938	A	973	GLN	0	-0.028	0.011	63.303	0.000	0.000	0.000	0.000	0.000	0.000
939	A	974	TYR	0	-0.045	-0.036	66.747	0.000	0.000	0.000	0.000	0.000	0.000
940	A	975	GLN	0	-0.067	-0.024	70.205	0.001	0.001	0.000	0.000	0.000	0.000
941	A	976	ASN	0	-0.019	-0.001	66.912	0.001	0.001	0.000	0.000	0.000	0.000
942	A	977	GLN	0	0.029	0.017	71.426	0.001	0.001	0.000	0.000	0.000	0.000
943	A	978	PRO	0	0.021	0.013	73.791	0.000	0.000	0.000	0.000	0.000	0.000
944	A	979	TYR	0	0.019	0.001	77.463	0.000	0.000	0.000	0.000	0.000	0.000
945	A	980	CYS	0	-0.036	0.001	79.622	0.001	0.001	0.000	0.000	0.000	0.000
946	A	981	LEU	0	0.009	-0.015	81.589	0.000	0.000	0.000	0.000	0.000	0.000
947	A	982	ARG	1	0.956	0.984	85.040	0.011	0.011	0.000	0.000	0.000	0.000
948	A	983	VAL	0	0.045	0.021	86.883	0.000	0.000	0.000	0.000	0.000	0.000
949	A	984	GLU	-1	-0.873	-0.920	89.376	-0.011	-0.011	0.000	0.000	0.000	0.000
950	A	985	SER	0	-0.015	-0.018	92.975	0.000	0.000	0.000	0.000	0.000	0.000
951	A	986	ASP	-1	-0.878	-0.942	94.623	-0.011	-0.011	0.000	0.000	0.000	0.000
952	A	987	ILE	0	-0.025	-0.022	92.536	0.000	0.000	0.000	0.000	0.000	0.000
953	A	988	LYS	1	0.907	0.955	87.726	0.013	0.013	0.000	0.000	0.000	0.000
954	A	989	ARG	1	0.960	0.973	91.904	0.011	0.011	0.000	0.000	0.000	0.000
955	A	990	PHE	0	-0.021	-0.012	94.367	0.000	0.000	0.000	0.000	0.000	0.000
956	A	991	PHE	0	-0.008	-0.028	90.576	0.000	0.000	0.000	0.000	0.000	0.000
957	A	992	GLU	-1	-0.912	-0.949	89.297	-0.014	-0.014	0.000	0.000	0.000	0.000
958	A	993	ASN	0	-0.062	-0.025	91.821	0.000	0.000	0.000	0.000	0.000	0.000
959	A	994	LEU	0	-0.019	0.015	91.356	0.000	0.000	0.000	0.000	0.000	0.000
960	A	995	ASN	0	-0.020	-0.015	93.695	-0.001	-0.001	0.000	0.000	0.000	0.000
961	A	996	PRO	0	-0.037	-0.012	93.084	0.000	0.000	0.000	0.000	0.000	0.000
962	A	997	MET	0	0.022	0.007	92.178	0.000	0.000	0.000	0.000	0.000	0.000
963	A	998	GLY	0	0.026	0.028	96.878	0.000	0.000	0.000	0.000	0.000	0.000
964	A	999	ASN	0	-0.061	-0.035	98.222	0.000	0.000	0.000	0.000	0.000	0.000
965	A	1000	SER	0	0.018	0.022	98.679	0.000	0.000	0.000	0.000	0.000	0.000
966	A	1001	MET	0	-0.022	-0.021	94.461	0.000	0.000	0.000	0.000	0.000	0.000
967	A	1002	GLU	-1	-0.842	-0.932	89.593	-0.017	-0.017	0.000	0.000	0.000	0.000
968	A	1003	LYS	1	0.847	0.926	93.049	0.017	0.017	0.000	0.000	0.000	0.000
969	A	1004	GLU	-1	-0.898	-0.952	94.259	-0.014	-0.014	0.000	0.000	0.000	0.000
970	A	1005	PHE	0	0.048	0.018	94.485	0.000	0.000	0.000	0.000	0.000	0.000
971	A	1006	THR	0	0.034	0.016	91.859	0.000	0.000	0.000	0.000	0.000	0.000
972	A	1007	ASP	-1	-0.893	-0.954	94.756	-0.017	-0.017	0.000	0.000	0.000	0.000
973	A	1008	TYR	0	-0.072	-0.037	97.296	0.000	0.000	0.000	0.000	0.000	0.000
974	A	1009	LEU	0	0.039	0.027	94.061	0.000	0.000	0.000	0.000	0.000	0.000
975	A	1010	PHE	0	0.004	-0.009	93.995	0.000	0.000	0.000	0.000	0.000	0.000
976	A	1011	ASN	0	-0.028	-0.035	97.183	0.000	0.000	0.000	0.000	0.000	0.000
977	A	1012	LYS	1	0.890	0.952	100.418	0.013	0.013	0.000	0.000	0.000	0.000
978	A	1013	SER	0	-0.020	-0.012	96.601	0.000	0.000	0.000	0.000	0.000	0.000
979	A	1014	LEU	0	-0.109	-0.056	98.654	0.000	0.000	0.000	0.000	0.000	0.000
980	A	1015	GLU	-1	-0.925	-0.947	101.396	-0.013	-0.013	0.000	0.000	0.000	0.000
981	A	1016	ILE	0	-0.030	-0.011	99.035	0.000	0.000	0.000	0.000	0.000	0.000
982	A	1017	GLU	-1	-0.787	-0.899	98.714	-0.016	-0.016	0.000	0.000	0.000	0.000
983	A	1018	PRO	0	0.002	0.013	100.967	0.000	0.000	0.000	0.000	0.000	0.000
984	A	1019	ARG	1	0.929	0.949	99.555	0.016	0.016	0.000	0.000	0.000	0.000
985	A	1020	ASN	0	0.067	0.034	100.232	0.000	0.000	0.000	0.000	0.000	0.000
986	A	1021	PRO	0	-0.009	-0.009	102.154	0.000	0.000	0.000	0.000	0.000	0.000
987	A	1022	LYS	1	0.871	0.946	105.045	0.015	0.015	0.000	0.000	0.000	0.000
988	A	1023	PRO	0	0.076	0.037	105.944	0.000	0.000	0.000	0.000	0.000	0.000
989	A	1024	LEU	0	0.035	0.029	103.005	0.000	0.000	0.000	0.000	0.000	0.000
990	A	1025	PRO	0	-0.035	-0.011	106.799	0.000	0.000	0.000	0.000	0.000	0.000
991	A	1026	ARG	1	0.942	0.967	106.908	0.013	0.013	0.000	0.000	0.000	0.000
992	A	1027	PHE	0	0.039	0.033	106.401	0.000	0.000	0.000	0.000	0.000	0.000
993	A	1028	PRO	0	0.036	0.008	109.381	0.000	0.000	0.000	0.000	0.000	0.000
994	A	1029	LYS	1	0.855	0.945	106.129	0.012	0.012	0.000	0.000	0.000	0.000
995	A	1030	LYS	1	0.944	0.974	103.529	0.013	0.013	0.000	0.000	0.000	0.000
996	A	1031	TYR	0	-0.032	-0.007	101.166	0.000	0.000	0.000	0.000	0.000	0.000
997	A	1032	SER	0	-0.021	-0.007	107.100	0.000	0.000	0.000	0.000	0.000	0.000
998	A	1033	TYR	0	-0.018	-0.017	102.663	0.000	0.000	0.000	0.000	0.000	0.000
999	A	1034	PRO	0	-0.035	-0.028	104.824	0.000	0.000	0.000	0.000	0.000	0.000
1000	A	1035	LEU	0	0.058	0.042	101.798	0.000	0.000	0.000	0.000	0.000	0.000
1001	A	1036	LYS	1	0.906	0.960	100.588	0.012	0.012	0.000	0.000	0.000	0.000
1002	A	1037	SER	0	-0.036	-0.039	94.708	0.000	0.000	0.000	0.000	0.000	0.000
1003	A	1038	PRO	0	-0.022	0.034	95.811	0.000	0.000	0.000	0.000	0.000	0.000
1004	A	1039	GLY	0	0.005	-0.034	94.594	0.000	0.000	0.000	0.000	0.000	0.000
1005	A	1040	VAL	0	-0.037	-0.027	88.236	0.000	0.000	0.000	0.000	0.000	0.000
1006	A	1041	ARG	1	0.899	0.951	89.461	0.013	0.013	0.000	0.000	0.000	0.000
1007	A	1042	PRO	0	0.034	0.020	87.308	0.000	0.000	0.000	0.000	0.000	0.000
1008	A	1043	SER	0	-0.010	0.008	90.573	0.000	0.000	0.000	0.000	0.000	0.000
1009	A	1044	ASN	0	-0.059	-0.031	91.073	0.000	0.000	0.000	0.000	0.000	0.000
1010	A	1045	PRO	0	0.022	0.022	90.279	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:6:LEU)