FMO DATABASE

FMODB ID: 4L31N

Calculation Name: 3SYJ-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 3SYJ

Chain ID: A

ChEMBL ID:

UniProt ID: P45387

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	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	919
LigandCharge	DLY=1
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-24337256.406571
FMO2-HF: Nuclear repulsion	23982195.20375
FMO2-HF: Total energy	-355061.202821
FMO2-MP2: Total energy	-356112.53977

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:26:GLY)

Summations of interaction energy for fragment #1(A:26:GLY)

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.
-3.174	-2.542	25.803	-12.903	-13.534	-0.057

Interaction energy analysis for fragmet #1(A:26:GLY)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.064 / q_NPA : 0.029

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	28	THR	0	0.042	0.011	3.792	-0.223	1.991	-0.015	-1.200	-0.999	0.006
4	A	29	TYR	0	-0.017	-0.026	6.427	-0.054	-0.054	0.000	0.000	0.000	0.000
5	A	30	PHE	0	0.032	0.007	10.163	0.090	0.090	0.000	0.000	0.000	0.000
6	A	31	GLY	0	0.048	0.029	12.408	0.090	0.090	0.000	0.000	0.000	0.000
7	A	32	ILE	0	-0.059	-0.034	12.507	0.113	0.113	0.000	0.000	0.000	0.000
8	A	33	ASP	-1	-0.867	-0.923	12.811	-0.429	-0.429	0.000	0.000	0.000	0.000
9	A	34	TYR	0	0.001	-0.037	5.600	-0.238	-0.238	0.000	0.000	0.000	0.000
10	A	35	GLN	0	-0.035	-0.037	10.561	-0.014	-0.014	0.000	0.000	0.000	0.000
11	A	36	TYR	0	0.016	0.020	12.418	0.103	0.103	0.000	0.000	0.000	0.000
12	A	37	TYR	0	0.057	0.017	7.237	-0.016	-0.016	0.000	0.000	0.000	0.000
13	A	38	ARG	1	0.810	0.921	7.999	0.396	0.396	0.000	0.000	0.000	0.000
14	A	39	ASP	-1	-0.748	-0.869	10.331	0.076	0.076	0.000	0.000	0.000	0.000
15	A	40	PHE	0	-0.015	0.002	10.271	0.068	0.068	0.000	0.000	0.000	0.000
16	A	41	ALA	0	-0.003	-0.011	8.824	0.087	0.087	0.000	0.000	0.000	0.000
17	A	42	GLU	-1	-0.860	-0.932	10.879	0.380	0.380	0.000	0.000	0.000	0.000
18	A	43	ASN	0	-0.060	-0.023	14.058	-0.002	-0.002	0.000	0.000	0.000	0.000
19	A	44	LYS	1	0.840	0.920	15.891	-0.127	-0.127	0.000	0.000	0.000	0.000
20	A	45	GLY	0	0.036	0.017	17.436	-0.002	-0.002	0.000	0.000	0.000	0.000
21	A	46	LYS	1	0.933	0.950	18.834	0.036	0.036	0.000	0.000	0.000	0.000
22	A	47	PHE	0	-0.023	-0.007	15.031	0.006	0.006	0.000	0.000	0.000	0.000
23	A	48	THR	0	0.064	0.049	17.581	0.037	0.037	0.000	0.000	0.000	0.000
24	A	49	VAL	0	0.018	-0.009	19.318	0.003	0.003	0.000	0.000	0.000	0.000
25	A	50	GLY	0	-0.024	-0.009	20.871	-0.025	-0.025	0.000	0.000	0.000	0.000
26	A	51	ALA	0	-0.034	-0.003	20.773	-0.015	-0.015	0.000	0.000	0.000	0.000
27	A	52	GLN	0	0.033	-0.004	21.404	0.020	0.020	0.000	0.000	0.000	0.000
28	A	53	ASN	0	-0.046	-0.027	22.228	-0.016	-0.016	0.000	0.000	0.000	0.000
29	A	54	ILE	0	-0.006	0.009	18.271	-0.020	-0.020	0.000	0.000	0.000	0.000
30	A	55	LYS	1	0.910	0.965	19.464	0.009	0.009	0.000	0.000	0.000	0.000
31	A	56	VAL	0	0.017	0.011	14.914	-0.002	-0.002	0.000	0.000	0.000	0.000
32	A	57	TYR	0	0.004	-0.009	18.181	0.013	0.013	0.000	0.000	0.000	0.000
33	A	58	ASN	0	0.065	0.035	17.329	-0.015	-0.015	0.000	0.000	0.000	0.000
34	A	59	LYS	1	0.846	0.917	14.257	0.627	0.627	0.000	0.000	0.000	0.000
35	A	60	GLN	0	-0.055	-0.016	19.481	0.010	0.010	0.000	0.000	0.000	0.000
36	A	61	GLY	0	-0.002	0.006	21.735	0.023	0.023	0.000	0.000	0.000	0.000
37	A	62	GLN	0	-0.016	-0.015	22.205	0.013	0.013	0.000	0.000	0.000	0.000
38	A	63	LEU	0	-0.068	-0.035	21.109	-0.012	-0.012	0.000	0.000	0.000	0.000
39	A	64	VAL	0	0.008	0.012	15.883	0.003	0.003	0.000	0.000	0.000	0.000
40	A	65	GLY	0	0.020	-0.008	18.872	0.016	0.016	0.000	0.000	0.000	0.000
41	A	66	THR	0	-0.072	-0.028	19.600	-0.013	-0.013	0.000	0.000	0.000	0.000
42	A	67	SER	0	-0.011	-0.017	15.391	0.024	0.024	0.000	0.000	0.000	0.000
43	A	68	MET	0	0.027	0.026	15.286	-0.006	-0.006	0.000	0.000	0.000	0.000
44	A	69	THR	0	0.001	0.005	19.441	-0.016	-0.016	0.000	0.000	0.000	0.000
45	A	70	LYS	1	0.940	0.970	21.657	-0.126	-0.126	0.000	0.000	0.000	0.000
46	A	71	ALA	0	0.030	0.026	20.054	0.011	0.011	0.000	0.000	0.000	0.000
47	A	72	PRO	0	0.004	0.017	21.308	-0.007	-0.007	0.000	0.000	0.000	0.000
48	A	73	MET	0	-0.051	-0.003	13.942	0.026	0.026	0.000	0.000	0.000	0.000
49	A	74	ILE	0	0.011	0.019	14.209	-0.017	-0.017	0.000	0.000	0.000	0.000
50	A	75	ASP	-1	-0.734	-0.845	17.379	0.296	0.296	0.000	0.000	0.000	0.000
51	A	76	PHE	0	0.045	-0.008	11.257	0.072	0.072	0.000	0.000	0.000	0.000
52	A	77	SER	0	-0.086	-0.043	15.505	0.045	0.045	0.000	0.000	0.000	0.000
53	A	78	VAL	0	0.028	0.023	16.718	0.000	0.000	0.000	0.000	0.000	0.000
54	A	79	VAL	0	-0.048	-0.025	11.506	0.042	0.042	0.000	0.000	0.000	0.000
55	A	80	SER	0	-0.033	-0.017	14.262	-0.029	-0.029	0.000	0.000	0.000	0.000
56	A	81	ARG	1	0.894	0.942	13.215	-0.263	-0.263	0.000	0.000	0.000	0.000
57	A	82	ASN	0	0.014	0.017	11.781	0.145	0.145	0.000	0.000	0.000	0.000
58	A	83	GLY	0	0.015	0.005	9.281	0.178	0.178	0.000	0.000	0.000	0.000
59	A	84	VAL	0	-0.007	-0.005	10.013	0.278	0.278	0.000	0.000	0.000	0.000
60	A	85	ALA	0	0.002	0.017	11.776	-0.099	-0.099	0.000	0.000	0.000	0.000
61	A	86	ALA	0	0.018	0.013	14.768	0.036	0.036	0.000	0.000	0.000	0.000
62	A	87	LEU	0	-0.015	-0.005	16.548	-0.036	-0.036	0.000	0.000	0.000	0.000
63	A	88	VAL	0	-0.031	-0.018	19.878	0.000	0.000	0.000	0.000	0.000	0.000
64	A	89	GLU	-1	-0.828	-0.904	22.220	0.198	0.198	0.000	0.000	0.000	0.000
65	A	90	ASN	0	0.007	-0.021	24.906	0.025	0.025	0.000	0.000	0.000	0.000
66	A	91	GLN	0	-0.034	-0.025	26.472	-0.007	-0.007	0.000	0.000	0.000	0.000
67	A	92	TYR	0	-0.051	-0.049	24.596	-0.002	-0.002	0.000	0.000	0.000	0.000
68	A	93	ILE	0	0.023	0.016	18.607	0.021	0.021	0.000	0.000	0.000	0.000
69	A	94	VAL	0	-0.032	-0.012	16.810	-0.038	-0.038	0.000	0.000	0.000	0.000
70	A	95	SER	0	0.027	-0.011	14.367	0.074	0.074	0.000	0.000	0.000	0.000
71	A	96	VAL	0	-0.003	-0.001	13.589	-0.057	-0.057	0.000	0.000	0.000	0.000
72	A	97	ALA	0	0.015	0.008	16.382	-0.018	-0.018	0.000	0.000	0.000	0.000
73	A	98	HIS	0	-0.068	-0.066	13.041	0.014	0.014	0.000	0.000	0.000	0.000
74	A	99	ASN	0	-0.035	0.002	12.322	-0.062	-0.062	0.000	0.000	0.000	0.000
75	A	100	VAL	0	-0.009	-0.021	15.845	-0.016	-0.016	0.000	0.000	0.000	0.000
76	A	101	GLY	0	-0.036	-0.023	17.505	-0.037	-0.037	0.000	0.000	0.000	0.000
77	A	102	TYR	0	-0.047	-0.012	16.189	-0.022	-0.022	0.000	0.000	0.000	0.000
78	A	103	THR	0	0.038	0.002	18.299	-0.004	-0.004	0.000	0.000	0.000	0.000
79	A	104	ASP	-1	-0.942	-0.974	20.043	0.223	0.223	0.000	0.000	0.000	0.000
80	A	105	VAL	0	-0.021	0.001	17.150	0.048	0.048	0.000	0.000	0.000	0.000
81	A	106	ASP	-1	-0.838	-0.929	17.674	0.277	0.277	0.000	0.000	0.000	0.000
82	A	107	PHE	0	0.037	0.009	17.759	0.056	0.056	0.000	0.000	0.000	0.000
83	A	108	GLY	0	0.018	0.020	18.800	-0.041	-0.041	0.000	0.000	0.000	0.000
84	A	109	ALA	0	-0.002	-0.002	17.824	0.040	0.040	0.000	0.000	0.000	0.000
85	A	110	GLU	-1	-0.793	-0.874	14.047	0.054	0.054	0.000	0.000	0.000	0.000
86	A	111	GLY	0	0.009	-0.014	16.685	-0.023	-0.023	0.000	0.000	0.000	0.000
87	A	112	ASN	0	-0.046	-0.042	19.033	0.039	0.039	0.000	0.000	0.000	0.000
88	A	113	ASN	0	0.029	0.030	22.166	-0.011	-0.011	0.000	0.000	0.000	0.000
89	A	114	PRO	0	0.036	0.010	25.011	0.015	0.015	0.000	0.000	0.000	0.000
90	A	115	ASP	-1	-0.740	-0.878	27.457	0.056	0.056	0.000	0.000	0.000	0.000
91	A	116	GLN	0	-0.027	-0.016	20.811	0.030	0.030	0.000	0.000	0.000	0.000
92	A	117	HIS	1	0.801	0.898	26.102	-0.073	-0.073	0.000	0.000	0.000	0.000
93	A	118	ARG	1	0.843	0.924	18.938	-0.185	-0.185	0.000	0.000	0.000	0.000
94	A	119	PHE	0	0.021	0.013	23.959	-0.015	-0.015	0.000	0.000	0.000	0.000
95	A	120	THR	0	0.009	0.010	22.613	0.017	0.017	0.000	0.000	0.000	0.000
96	A	121	TYR	0	-0.064	-0.066	22.737	-0.025	-0.025	0.000	0.000	0.000	0.000
97	A	122	LYS	1	0.972	0.970	23.066	-0.123	-0.123	0.000	0.000	0.000	0.000
98	A	123	ILE	0	0.004	0.012	20.181	-0.004	-0.004	0.000	0.000	0.000	0.000
99	A	124	VAL	0	-0.035	-0.025	24.730	-0.019	-0.019	0.000	0.000	0.000	0.000
100	A	125	LYS	1	0.848	0.919	26.821	-0.192	-0.192	0.000	0.000	0.000	0.000
101	A	126	ARG	1	0.870	0.956	19.564	-0.281	-0.281	0.000	0.000	0.000	0.000
102	A	127	ASN	0	-0.019	-0.010	23.834	0.004	0.004	0.000	0.000	0.000	0.000
103	A	128	ASN	0	0.002	-0.007	22.672	0.051	0.051	0.000	0.000	0.000	0.000
104	A	129	TYR	0	0.009	0.012	23.634	-0.024	-0.024	0.000	0.000	0.000	0.000
105	A	130	LYS	1	0.946	0.972	25.339	-0.146	-0.146	0.000	0.000	0.000	0.000
106	A	131	LYS	1	0.856	0.923	25.857	-0.187	-0.187	0.000	0.000	0.000	0.000
107	A	132	ASP	-1	-0.860	-0.949	28.446	0.141	0.141	0.000	0.000	0.000	0.000
108	A	133	ASN	0	0.010	-0.007	31.872	0.007	0.007	0.000	0.000	0.000	0.000
109	A	134	LEU	0	0.020	0.024	33.816	-0.001	-0.001	0.000	0.000	0.000	0.000
110	A	135	HIS	1	0.720	0.879	28.744	-0.164	-0.164	0.000	0.000	0.000	0.000
111	A	136	PRO	0	0.083	0.031	28.238	0.004	0.004	0.000	0.000	0.000	0.000
112	A	137	TYR	0	-0.020	-0.007	23.296	0.000	0.000	0.000	0.000	0.000	0.000
113	A	138	GLU	-1	-0.826	-0.907	20.847	0.213	0.213	0.000	0.000	0.000	0.000
114	A	139	ASP	-1	-0.812	-0.904	22.143	0.260	0.260	0.000	0.000	0.000	0.000
115	A	140	ASP	-1	-0.794	-0.855	16.365	0.474	0.474	0.000	0.000	0.000	0.000
116	A	141	TYR	0	-0.039	-0.017	18.035	0.069	0.069	0.000	0.000	0.000	0.000
117	A	142	HIS	0	-0.014	0.008	18.834	-0.014	-0.014	0.000	0.000	0.000	0.000
118	A	143	ASN	0	0.017	0.001	20.522	0.033	0.033	0.000	0.000	0.000	0.000
119	A	144	PRO	0	-0.015	0.007	20.212	-0.039	-0.039	0.000	0.000	0.000	0.000
120	A	145	ARG	1	0.918	0.986	23.451	-0.160	-0.160	0.000	0.000	0.000	0.000
121	A	146	LEU	0	-0.029	-0.027	22.173	-0.003	-0.003	0.000	0.000	0.000	0.000
122	A	147	HIS	0	-0.007	-0.013	26.205	-0.003	-0.003	0.000	0.000	0.000	0.000
123	A	148	LYS	1	0.746	0.862	28.074	-0.143	-0.143	0.000	0.000	0.000	0.000
124	A	149	PHE	0	-0.029	-0.013	27.860	0.018	0.018	0.000	0.000	0.000	0.000
125	A	150	VAL	0	0.015	-0.001	23.119	-0.011	-0.011	0.000	0.000	0.000	0.000
126	A	151	THR	0	-0.038	-0.034	26.447	0.002	0.002	0.000	0.000	0.000	0.000
127	A	152	GLU	-1	-0.801	-0.884	23.360	0.203	0.203	0.000	0.000	0.000	0.000
128	A	153	ALA	0	0.002	-0.007	21.754	-0.001	-0.001	0.000	0.000	0.000	0.000
129	A	154	ALA	0	-0.052	-0.012	23.698	-0.008	-0.008	0.000	0.000	0.000	0.000
130	A	155	PRO	0	0.024	0.018	22.570	0.027	0.027	0.000	0.000	0.000	0.000
131	A	156	ILE	0	-0.051	-0.015	18.094	-0.008	-0.008	0.000	0.000	0.000	0.000
132	A	157	ASP	-1	-0.840	-0.923	21.809	0.258	0.258	0.000	0.000	0.000	0.000
133	A	158	MET	0	-0.012	-0.018	21.292	0.031	0.031	0.000	0.000	0.000	0.000
134	A	159	THR	0	0.011	0.014	20.706	-0.020	-0.020	0.000	0.000	0.000	0.000
135	A	160	SER	0	-0.011	-0.025	22.991	0.006	0.006	0.000	0.000	0.000	0.000
136	A	161	ASN	0	0.002	0.026	25.192	-0.009	-0.009	0.000	0.000	0.000	0.000
137	A	162	MET	0	0.077	0.051	22.697	0.029	0.029	0.000	0.000	0.000	0.000
138	A	163	ASN	0	0.029	0.009	23.910	0.015	0.015	0.000	0.000	0.000	0.000
139	A	164	GLY	0	0.033	0.004	21.219	0.004	0.004	0.000	0.000	0.000	0.000
140	A	165	SER	0	-0.011	-0.020	21.617	0.006	0.006	0.000	0.000	0.000	0.000
141	A	166	THR	0	-0.079	-0.030	23.959	-0.019	-0.019	0.000	0.000	0.000	0.000
142	A	167	TYR	0	-0.032	-0.046	20.070	-0.010	-0.010	0.000	0.000	0.000	0.000
143	A	168	SER	0	-0.032	-0.014	20.816	0.007	0.007	0.000	0.000	0.000	0.000
144	A	169	ASP	-1	-0.846	-0.912	21.987	0.142	0.142	0.000	0.000	0.000	0.000
145	A	170	ARG	1	0.961	0.967	19.956	-0.137	-0.137	0.000	0.000	0.000	0.000
146	A	171	THR	0	-0.037	-0.006	23.037	-0.006	-0.006	0.000	0.000	0.000	0.000
147	A	172	LYS	1	0.958	0.998	25.690	-0.190	-0.190	0.000	0.000	0.000	0.000
148	A	173	TYR	0	-0.050	-0.033	20.538	0.008	0.008	0.000	0.000	0.000	0.000
149	A	174	PRO	0	-0.019	0.012	20.729	0.011	0.011	0.000	0.000	0.000	0.000
150	A	175	GLU	-1	-0.848	-0.941	17.313	0.220	0.220	0.000	0.000	0.000	0.000
151	A	176	ARG	1	0.881	0.931	13.882	-0.435	-0.435	0.000	0.000	0.000	0.000
152	A	177	VAL	0	-0.011	0.008	11.142	-0.020	-0.020	0.000	0.000	0.000	0.000
153	A	178	ARG	1	0.845	0.932	2.876	-6.556	-6.251	0.052	-0.127	-0.231	0.000
154	A	179	ILE	0	0.004	0.007	6.708	-0.035	-0.035	0.000	0.000	0.000	0.000
155	A	180	GLY	0	0.011	0.005	5.921	-0.098	-0.098	0.000	0.000	0.000	0.000
156	A	181	SER	0	0.017	-0.004	5.241	0.013	0.013	0.000	0.000	0.000	0.000
157	A	182	GLY	0	0.002	0.018	3.722	-2.006	-1.805	0.007	-0.073	-0.136	0.000
158	A	183	ARG	1	0.913	0.939	2.905	-2.140	-0.579	0.500	-0.981	-1.080	-0.008
159	A	184	GLN	0	0.075	0.088	1.937	-10.101	-16.596	17.000	-5.706	-4.800	-0.031
160	A	185	PHE	0	-0.050	-0.040	3.369	3.013	3.362	0.011	0.029	-0.389	0.001
161	A	186	TRP	0	0.024	0.026	5.447	-0.741	-0.741	0.000	0.000	0.000	0.000
162	A	187	ARG	1	0.854	0.929	7.603	1.442	1.442	0.000	0.000	0.000	0.000
163	A	188	ASN	0	0.091	0.055	10.489	0.107	0.107	0.000	0.000	0.000	0.000
164	A	189	ASP	-1	-0.730	-0.864	14.179	-0.373	-0.373	0.000	0.000	0.000	0.000
165	A	190	GLN	0	-0.113	-0.046	16.753	0.017	0.017	0.000	0.000	0.000	0.000
166	A	191	ASP	-1	-0.892	-0.951	12.010	-0.603	-0.603	0.000	0.000	0.000	0.000
167	A	192	LYS	1	0.883	0.945	13.207	0.410	0.410	0.000	0.000	0.000	0.000
168	A	193	GLY	0	-0.013	-0.009	10.210	-0.072	-0.072	0.000	0.000	0.000	0.000
169	A	194	ASP	-1	-0.852	-0.911	10.329	-0.768	-0.768	0.000	0.000	0.000	0.000
170	A	195	GLN	0	-0.081	-0.063	6.737	-0.259	-0.259	0.000	0.000	0.000	0.000
171	A	196	VAL	0	0.009	0.005	6.599	0.351	0.351	0.000	0.000	0.000	0.000
172	A	197	ALA	0	-0.009	-0.013	6.625	0.385	0.385	0.000	0.000	0.000	0.000
173	A	198	GLY	0	0.023	0.020	6.636	-0.462	-0.462	0.000	0.000	0.000	0.000
174	A	199	ALA	0	-0.037	-0.028	6.043	-0.111	-0.111	0.000	0.000	0.000	0.000
175	A	200	TYR	0	-0.039	-0.025	7.047	-0.096	-0.096	0.000	0.000	0.000	0.000
176	A	201	HIS	0	-0.042	-0.006	7.996	-0.123	-0.123	0.000	0.000	0.000	0.000
177	A	202	TYR	0	0.012	-0.004	5.997	-0.229	-0.229	0.000	0.000	0.000	0.000
178	A	203	LEU	0	0.005	0.011	6.446	0.324	0.324	0.000	0.000	0.000	0.000
179	A	204	THR	0	-0.050	-0.029	2.815	0.471	1.002	0.036	-0.243	-0.324	0.000
180	A	205	ALA	0	-0.009	-0.018	5.684	1.078	1.078	0.000	0.000	0.000	0.000
181	A	206	GLY	0	0.062	0.029	6.904	-0.435	-0.435	0.000	0.000	0.000	0.000
182	A	207	ASN	0	0.017	0.010	8.922	0.147	0.147	0.000	0.000	0.000	0.000
183	A	208	THR	0	-0.004	-0.008	9.045	0.071	0.071	0.000	0.000	0.000	0.000
184	A	209	HIS	0	-0.008	0.001	7.696	-0.109	-0.109	0.000	0.000	0.000	0.000
185	A	210	ASN	0	0.071	0.039	11.190	0.050	0.050	0.000	0.000	0.000	0.000
186	A	211	GLN	0	0.026	-0.005	14.572	0.055	0.055	0.000	0.000	0.000	0.000
187	A	212	ARG	1	0.875	0.942	14.403	-0.169	-0.169	0.000	0.000	0.000	0.000
188	A	213	GLY	0	0.042	0.033	17.298	-0.004	-0.004	0.000	0.000	0.000	0.000
189	A	214	ALA	0	-0.044	-0.028	18.244	0.046	0.046	0.000	0.000	0.000	0.000
190	A	215	GLY	0	0.063	0.033	20.494	-0.031	-0.031	0.000	0.000	0.000	0.000
191	A	216	ASN	0	0.020	0.008	22.840	0.027	0.027	0.000	0.000	0.000	0.000
192	A	217	GLY	0	0.029	0.005	22.137	-0.003	-0.003	0.000	0.000	0.000	0.000
193	A	218	TYR	0	-0.070	-0.019	17.784	0.036	0.036	0.000	0.000	0.000	0.000
194	A	219	SER	0	0.076	0.013	16.189	-0.063	-0.063	0.000	0.000	0.000	0.000
195	A	220	TYR	0	0.009	0.028	13.443	0.095	0.095	0.000	0.000	0.000	0.000
196	A	221	LEU	0	-0.056	-0.022	11.197	-0.043	-0.043	0.000	0.000	0.000	0.000
197	A	222	GLY	0	0.029	-0.004	10.722	0.088	0.088	0.000	0.000	0.000	0.000
198	A	223	GLY	0	-0.025	-0.012	11.348	-0.009	-0.009	0.000	0.000	0.000	0.000
199	A	224	ASP	-1	-0.789	-0.889	11.521	-0.349	-0.349	0.000	0.000	0.000	0.000
200	A	225	VAL	0	0.000	0.001	7.505	0.058	0.058	0.000	0.000	0.000	0.000
201	A	226	ARG	1	0.834	0.907	10.425	0.338	0.338	0.000	0.000	0.000	0.000
202	A	227	LYS	1	0.876	0.944	13.532	0.188	0.188	0.000	0.000	0.000	0.000
203	A	228	ALA	0	0.029	0.020	13.782	0.017	0.017	0.000	0.000	0.000	0.000
204	A	229	GLY	0	-0.002	0.000	14.620	-0.001	-0.001	0.000	0.000	0.000	0.000
205	A	230	GLU	-1	-0.914	-0.963	15.547	0.187	0.187	0.000	0.000	0.000	0.000
206	A	231	TYR	0	-0.041	-0.021	13.952	0.020	0.020	0.000	0.000	0.000	0.000
207	A	232	GLY	0	0.037	0.024	15.279	0.028	0.028	0.000	0.000	0.000	0.000
208	A	233	PRO	0	-0.021	-0.020	14.378	-0.009	-0.009	0.000	0.000	0.000	0.000
209	A	234	LEU	0	-0.051	-0.011	10.155	-0.081	-0.081	0.000	0.000	0.000	0.000
210	A	235	PRO	0	0.019	0.021	9.382	0.145	0.145	0.000	0.000	0.000	0.000
211	A	236	ILE	0	-0.031	0.001	2.987	-0.462	-0.118	0.134	-0.165	-0.314	0.000
212	A	237	ALA	0	-0.033	-0.013	4.490	0.336	0.468	-0.001	-0.050	-0.081	0.000
213	A	238	GLY	0	-0.020	-0.008	2.481	2.692	1.872	5.168	-2.475	-1.872	-0.018
214	A	239	SER	0	-0.071	-0.063	2.125	-2.483	-1.278	2.032	-1.372	-1.864	-0.003
215	A	240	LYS	1	0.976	0.961	4.092	0.831	0.941	0.000	-0.004	-0.106	0.000
216	A	241	GLY	0	0.043	0.026	5.304	-0.431	-0.431	0.000	0.000	0.000	0.000
217	A	242	ASP	-1	-0.703	-0.849	3.007	12.495	13.490	0.879	-0.536	-1.338	-0.004
218	A	243	SER	0	-0.044	-0.010	6.283	-0.173	-0.173	0.000	0.000	0.000	0.000
219	A	244	GLY	0	-0.031	-0.011	9.767	-0.069	-0.069	0.000	0.000	0.000	0.000
220	A	245	SER	0	-0.027	0.003	7.898	0.041	0.041	0.000	0.000	0.000	0.000
221	A	246	PRO	0	0.022	0.021	10.028	-0.124	-0.124	0.000	0.000	0.000	0.000
222	A	247	MET	0	-0.073	-0.001	10.218	0.195	0.195	0.000	0.000	0.000	0.000
223	A	248	PHE	0	0.027	-0.009	11.996	-0.142	-0.142	0.000	0.000	0.000	0.000
224	A	249	ILE	0	-0.005	-0.015	14.736	0.009	0.009	0.000	0.000	0.000	0.000
225	A	250	TYR	0	0.054	0.020	17.457	-0.016	-0.016	0.000	0.000	0.000	0.000
226	A	251	ASP	-1	-0.848	-0.931	20.192	0.199	0.199	0.000	0.000	0.000	0.000
227	A	252	ALA	0	0.034	-0.007	23.720	-0.007	-0.007	0.000	0.000	0.000	0.000
228	A	253	GLU	-1	-0.947	-0.968	25.861	0.140	0.140	0.000	0.000	0.000	0.000
229	A	254	LYS	1	0.864	0.925	26.643	-0.203	-0.203	0.000	0.000	0.000	0.000
230	A	255	GLN	0	-0.051	-0.008	26.019	-0.008	-0.008	0.000	0.000	0.000	0.000
231	A	256	LYS	1	0.930	0.974	23.903	-0.213	-0.213	0.000	0.000	0.000	0.000
232	A	257	TRP	0	-0.022	-0.024	16.065	0.032	0.032	0.000	0.000	0.000	0.000
233	A	258	LEU	0	-0.017	-0.007	19.582	-0.017	-0.017	0.000	0.000	0.000	0.000
234	A	259	ILE	0	-0.002	0.005	15.522	0.045	0.045	0.000	0.000	0.000	0.000
235	A	260	ASN	0	-0.033	-0.043	16.218	-0.037	-0.037	0.000	0.000	0.000	0.000
236	A	261	GLY	0	0.044	0.000	15.415	-0.067	-0.067	0.000	0.000	0.000	0.000
237	A	262	ILE	0	-0.019	0.007	12.933	0.097	0.097	0.000	0.000	0.000	0.000
238	A	263	LEU	0	-0.053	-0.014	6.254	-0.110	-0.110	0.000	0.000	0.000	0.000
239	A	264	ARG	1	0.878	0.926	10.528	-0.489	-0.489	0.000	0.000	0.000	0.000
240	A	273	GLU	-1	-0.888	-0.954	8.126	0.152	0.152	0.000	0.000	0.000	0.000
241	A	274	ASN	0	-0.061	-0.034	5.871	0.316	0.316	0.000	0.000	0.000	0.000
242	A	275	GLY	0	0.069	0.032	9.595	-0.088	-0.088	0.000	0.000	0.000	0.000
243	A	276	PHE	0	-0.034	-0.022	8.821	0.174	0.174	0.000	0.000	0.000	0.000
244	A	277	GLN	0	0.004	-0.005	13.643	-0.150	-0.150	0.000	0.000	0.000	0.000
245	A	278	LEU	0	-0.008	0.006	16.686	0.059	0.059	0.000	0.000	0.000	0.000
246	A	279	VAL	0	-0.009	-0.003	17.949	-0.009	-0.009	0.000	0.000	0.000	0.000
247	A	280	ARG	1	0.807	0.881	20.237	-0.383	-0.383	0.000	0.000	0.000	0.000
248	A	281	LYS	1	1.015	0.997	23.808	-0.247	-0.247	0.000	0.000	0.000	0.000
249	A	282	SER	0	0.056	0.030	26.154	-0.008	-0.008	0.000	0.000	0.000	0.000
250	A	283	TYR	0	-0.032	-0.021	24.539	-0.016	-0.016	0.000	0.000	0.000	0.000
251	A	284	PHE	0	0.002	-0.009	25.174	-0.001	-0.001	0.000	0.000	0.000	0.000
252	A	285	ASP	-1	-0.852	-0.930	27.178	0.201	0.201	0.000	0.000	0.000	0.000
253	A	286	GLU	-1	-0.882	-0.932	30.641	0.167	0.167	0.000	0.000	0.000	0.000
254	A	287	ILE	0	-0.148	-0.074	27.454	-0.009	-0.009	0.000	0.000	0.000	0.000
255	A	288	PHE	0	0.023	0.009	29.705	-0.008	-0.008	0.000	0.000	0.000	0.000
256	A	289	GLU	-1	-0.897	-0.956	31.527	0.144	0.144	0.000	0.000	0.000	0.000
257	A	290	ARG	1	0.857	0.944	31.153	-0.180	-0.180	0.000	0.000	0.000	0.000
258	A	291	ASP	-1	-0.859	-0.900	31.576	0.173	0.173	0.000	0.000	0.000	0.000
259	A	292	LEU	0	-0.075	-0.032	34.993	-0.007	-0.007	0.000	0.000	0.000	0.000
260	A	293	HIS	0	0.021	0.018	36.838	-0.002	-0.002	0.000	0.000	0.000	0.000
261	A	294	THR	0	-0.018	-0.006	40.004	-0.007	-0.007	0.000	0.000	0.000	0.000
262	A	295	SER	0	-0.028	-0.026	42.045	0.003	0.003	0.000	0.000	0.000	0.000
263	A	296	LEU	0	-0.046	-0.018	44.046	-0.005	-0.005	0.000	0.000	0.000	0.000
264	A	297	TYR	0	0.001	-0.015	46.840	0.001	0.001	0.000	0.000	0.000	0.000
265	A	298	THR	0	0.009	-0.017	49.186	-0.003	-0.003	0.000	0.000	0.000	0.000
266	A	299	ARG	1	0.964	0.968	52.844	-0.066	-0.066	0.000	0.000	0.000	0.000
267	A	300	ALA	0	-0.003	0.009	54.055	0.000	0.000	0.000	0.000	0.000	0.000
268	A	301	GLY	0	-0.023	0.000	53.557	-0.001	-0.001	0.000	0.000	0.000	0.000
269	A	302	ASN	0	-0.047	-0.035	53.907	-0.001	-0.001	0.000	0.000	0.000	0.000
270	A	303	GLY	0	0.005	0.006	52.974	-0.002	-0.002	0.000	0.000	0.000	0.000
271	A	304	VAL	0	-0.034	-0.031	53.561	0.000	0.000	0.000	0.000	0.000	0.000
272	A	305	TYR	0	0.035	0.035	50.099	-0.001	-0.001	0.000	0.000	0.000	0.000
273	A	306	THR	0	-0.015	-0.002	52.078	-0.001	-0.001	0.000	0.000	0.000	0.000
274	A	307	ILE	0	0.006	0.021	45.075	0.001	0.001	0.000	0.000	0.000	0.000
275	A	308	SER	0	-0.022	-0.010	49.433	-0.003	-0.003	0.000	0.000	0.000	0.000
276	A	309	GLY	0	0.041	0.000	47.005	0.003	0.003	0.000	0.000	0.000	0.000
277	A	310	ASN	0	-0.051	-0.013	47.179	-0.004	-0.004	0.000	0.000	0.000	0.000
278	A	311	ASP	-1	-0.804	-0.906	44.755	0.070	0.070	0.000	0.000	0.000	0.000
279	A	312	ASN	0	-0.053	-0.033	43.886	0.004	0.004	0.000	0.000	0.000	0.000
280	A	313	GLY	0	0.007	0.006	42.483	0.002	0.002	0.000	0.000	0.000	0.000
281	A	314	GLN	0	-0.033	0.003	43.260	0.001	0.001	0.000	0.000	0.000	0.000
282	A	315	GLY	0	0.053	0.012	46.307	-0.003	-0.003	0.000	0.000	0.000	0.000
283	A	316	SER	0	-0.085	-0.050	47.215	0.001	0.001	0.000	0.000	0.000	0.000
284	A	317	ILE	0	0.029	0.013	45.576	0.000	0.000	0.000	0.000	0.000	0.000
285	A	318	THR	0	0.021	0.008	50.037	-0.001	-0.001	0.000	0.000	0.000	0.000
286	A	319	GLN	0	-0.042	-0.037	52.531	0.001	0.001	0.000	0.000	0.000	0.000
287	A	320	LYS	1	0.936	0.974	54.345	-0.051	-0.051	0.000	0.000	0.000	0.000
288	A	321	SER	0	-0.035	-0.055	57.156	-0.003	-0.003	0.000	0.000	0.000	0.000
289	A	322	GLY	0	-0.001	0.024	55.794	0.001	0.001	0.000	0.000	0.000	0.000
290	A	323	ILE	0	-0.051	0.034	56.293	-0.001	-0.001	0.000	0.000	0.000	0.000
291	A	324	PRO	0	0.033	-0.025	53.230	0.001	0.001	0.000	0.000	0.000	0.000
292	A	325	SER	0	0.070	0.026	54.570	0.001	0.001	0.000	0.000	0.000	0.000
293	A	326	GLU	-1	-0.905	-0.936	52.848	0.061	0.061	0.000	0.000	0.000	0.000
294	A	327	ILE	0	-0.005	0.005	47.553	0.001	0.001	0.000	0.000	0.000	0.000
295	A	328	LYS	1	0.896	0.952	47.984	-0.071	-0.071	0.000	0.000	0.000	0.000
296	A	329	ILE	0	0.026	0.016	43.658	0.002	0.002	0.000	0.000	0.000	0.000
297	A	330	THR	0	-0.037	-0.028	39.649	-0.005	-0.005	0.000	0.000	0.000	0.000
298	A	331	LEU	0	-0.047	-0.018	40.399	0.004	0.004	0.000	0.000	0.000	0.000
299	A	332	ALA	0	0.009	-0.003	38.300	0.003	0.003	0.000	0.000	0.000	0.000
300	A	333	ASN	0	0.059	0.040	38.810	-0.009	-0.009	0.000	0.000	0.000	0.000
301	A	334	MET	0	-0.002	-0.019	39.269	0.004	0.004	0.000	0.000	0.000	0.000
302	A	335	SER	0	-0.080	-0.040	41.348	-0.002	-0.002	0.000	0.000	0.000	0.000
303	A	336	LEU	0	-0.001	0.015	37.504	-0.001	-0.001	0.000	0.000	0.000	0.000
304	A	337	PRO	0	0.052	0.027	34.728	-0.001	-0.001	0.000	0.000	0.000	0.000
305	A	338	LEU	0	-0.026	-0.018	32.208	0.007	0.007	0.000	0.000	0.000	0.000
306	A	339	LYS	1	0.928	0.951	28.076	-0.113	-0.113	0.000	0.000	0.000	0.000
307	A	340	GLU	-1	-0.853	-0.928	30.124	0.097	0.097	0.000	0.000	0.000	0.000
308	A	341	LYS	1	0.907	0.967	27.043	-0.114	-0.114	0.000	0.000	0.000	0.000
309	A	342	ASP	-1	-0.708	-0.852	26.666	0.187	0.187	0.000	0.000	0.000	0.000
310	A	343	LYS	1	0.907	0.942	28.525	-0.164	-0.164	0.000	0.000	0.000	0.000
311	A	344	VAL	0	0.018	0.011	25.022	0.019	0.019	0.000	0.000	0.000	0.000
312	A	345	HIS	0	-0.017	-0.013	26.373	-0.021	-0.021	0.000	0.000	0.000	0.000
313	A	346	ASN	0	0.012	0.002	23.688	-0.020	-0.020	0.000	0.000	0.000	0.000
314	A	347	PRO	0	0.033	0.012	24.583	0.010	0.010	0.000	0.000	0.000	0.000
315	A	348	ARG	1	0.931	0.965	18.979	-0.208	-0.208	0.000	0.000	0.000	0.000
316	A	349	TYR	0	-0.042	-0.025	18.639	0.016	0.016	0.000	0.000	0.000	0.000
317	A	350	ASP	-1	-0.770	-0.866	21.431	0.142	0.142	0.000	0.000	0.000	0.000
318	A	351	GLY	0	0.001	-0.015	21.900	0.010	0.010	0.000	0.000	0.000	0.000
319	A	352	PRO	0	-0.041	-0.029	21.464	-0.002	-0.002	0.000	0.000	0.000	0.000
320	A	353	ASN	0	-0.020	-0.022	22.600	0.013	0.013	0.000	0.000	0.000	0.000
321	A	354	ILE	0	0.005	0.010	23.955	-0.007	-0.007	0.000	0.000	0.000	0.000
322	A	355	TYR	0	-0.047	-0.016	25.167	0.023	0.023	0.000	0.000	0.000	0.000
323	A	356	SER	0	-0.027	-0.024	27.798	-0.014	-0.014	0.000	0.000	0.000	0.000
324	A	357	PRO	0	0.023	0.017	30.912	0.003	0.003	0.000	0.000	0.000	0.000
325	A	358	ARG	1	0.886	0.954	34.008	-0.090	-0.090	0.000	0.000	0.000	0.000
326	A	359	LEU	0	0.007	-0.012	31.228	-0.003	-0.003	0.000	0.000	0.000	0.000
327	A	360	ASN	0	-0.005	-0.016	31.391	0.009	0.009	0.000	0.000	0.000	0.000
328	A	361	ASN	0	-0.046	-0.012	33.267	0.003	0.003	0.000	0.000	0.000	0.000
329	A	362	GLY	0	-0.002	0.021	36.497	-0.005	-0.005	0.000	0.000	0.000	0.000
330	A	363	GLU	-1	-0.795	-0.873	36.021	0.115	0.115	0.000	0.000	0.000	0.000
331	A	364	THR	0	-0.019	-0.037	34.173	-0.005	-0.005	0.000	0.000	0.000	0.000
332	A	365	LEU	0	-0.031	0.006	37.351	-0.003	-0.003	0.000	0.000	0.000	0.000
333	A	366	TYR	0	0.025	0.005	39.052	0.002	0.002	0.000	0.000	0.000	0.000
334	A	367	PHE	0	0.012	0.019	41.269	-0.006	-0.006	0.000	0.000	0.000	0.000
335	A	368	MET	0	0.017	0.015	43.835	0.001	0.001	0.000	0.000	0.000	0.000
336	A	369	ASP	-1	-0.815	-0.927	45.806	0.063	0.063	0.000	0.000	0.000	0.000
337	A	370	GLN	0	0.021	0.002	48.543	-0.001	-0.001	0.000	0.000	0.000	0.000
338	A	371	LYS	1	0.854	0.933	50.642	-0.059	-0.059	0.000	0.000	0.000	0.000
339	A	372	GLN	0	0.016	0.004	51.396	0.002	0.002	0.000	0.000	0.000	0.000
340	A	373	GLY	0	0.065	0.073	50.504	-0.002	-0.002	0.000	0.000	0.000	0.000
341	A	374	SER	0	-0.030	-0.024	51.349	-0.001	-0.001	0.000	0.000	0.000	0.000
342	A	375	LEU	0	-0.017	-0.007	45.871	0.001	0.001	0.000	0.000	0.000	0.000
343	A	376	ILE	0	0.003	-0.001	50.060	0.000	0.000	0.000	0.000	0.000	0.000
344	A	377	PHE	0	0.010	-0.004	44.408	0.002	0.002	0.000	0.000	0.000	0.000
345	A	378	ALA	0	-0.002	-0.007	50.373	-0.003	-0.003	0.000	0.000	0.000	0.000
346	A	379	SER	0	-0.023	-0.036	48.807	-0.003	-0.003	0.000	0.000	0.000	0.000
347	A	380	ASP	-1	-0.820	-0.899	46.224	0.064	0.064	0.000	0.000	0.000	0.000
348	A	381	ILE	0	-0.036	-0.011	42.448	0.001	0.001	0.000	0.000	0.000	0.000
349	A	382	ASN	0	0.036	0.009	38.754	0.008	0.008	0.000	0.000	0.000	0.000
350	A	383	GLN	0	0.065	0.022	38.051	-0.003	-0.003	0.000	0.000	0.000	0.000
351	A	384	GLY	0	-0.006	0.007	36.084	0.005	0.005	0.000	0.000	0.000	0.000
352	A	385	ALA	0	-0.032	-0.019	31.400	0.003	0.003	0.000	0.000	0.000	0.000
353	A	386	GLY	0	0.030	0.041	33.054	0.010	0.010	0.000	0.000	0.000	0.000
354	A	387	GLY	0	-0.016	-0.012	35.190	-0.003	-0.003	0.000	0.000	0.000	0.000
355	A	388	LEU	0	-0.012	-0.002	36.062	-0.005	-0.005	0.000	0.000	0.000	0.000
356	A	389	TYR	0	0.043	0.029	32.311	0.007	0.007	0.000	0.000	0.000	0.000
357	A	390	PHE	0	0.007	-0.006	38.744	-0.006	-0.006	0.000	0.000	0.000	0.000
358	A	391	GLU	-1	-0.918	-0.943	41.023	0.106	0.106	0.000	0.000	0.000	0.000
359	A	392	GLY	0	0.087	0.033	42.887	-0.004	-0.004	0.000	0.000	0.000	0.000
360	A	393	ASN	0	-0.049	-0.034	45.547	0.004	0.004	0.000	0.000	0.000	0.000
361	A	394	PHE	0	0.004	0.002	46.279	-0.001	-0.001	0.000	0.000	0.000	0.000
362	A	395	THR	0	-0.029	-0.004	48.477	-0.001	-0.001	0.000	0.000	0.000	0.000
363	A	396	VAL	0	-0.019	-0.011	45.810	0.000	0.000	0.000	0.000	0.000	0.000
364	A	397	SER	0	0.006	-0.004	48.981	-0.002	-0.002	0.000	0.000	0.000	0.000
365	A	398	PRO	0	0.011	0.024	50.225	0.001	0.001	0.000	0.000	0.000	0.000
366	A	399	ASN	0	-0.011	-0.021	52.007	-0.002	-0.002	0.000	0.000	0.000	0.000
367	A	400	SER	0	-0.099	-0.062	54.087	-0.003	-0.003	0.000	0.000	0.000	0.000
368	A	401	ASN	0	0.019	0.012	51.784	0.000	0.000	0.000	0.000	0.000	0.000
369	A	402	GLN	0	0.052	0.064	49.212	0.001	0.001	0.000	0.000	0.000	0.000
370	A	403	THR	0	-0.023	-0.007	44.508	0.002	0.002	0.000	0.000	0.000	0.000
371	A	404	TRP	0	-0.003	-0.022	36.983	0.001	0.001	0.000	0.000	0.000	0.000
372	A	405	GLN	0	-0.034	-0.015	36.922	-0.003	-0.003	0.000	0.000	0.000	0.000
373	A	406	GLY	0	0.041	0.021	36.531	-0.001	-0.001	0.000	0.000	0.000	0.000
374	A	407	ALA	0	0.006	0.003	32.012	0.002	0.002	0.000	0.000	0.000	0.000
375	A	408	GLY	0	0.011	-0.012	32.461	0.007	0.007	0.000	0.000	0.000	0.000
376	A	409	ILE	0	-0.029	-0.005	34.653	-0.003	-0.003	0.000	0.000	0.000	0.000
377	A	410	HIS	0	-0.002	-0.004	32.924	-0.002	-0.002	0.000	0.000	0.000	0.000
378	A	411	VAL	0	-0.017	0.011	36.299	-0.005	-0.005	0.000	0.000	0.000	0.000
379	A	412	SER	0	0.037	-0.003	38.046	0.006	0.006	0.000	0.000	0.000	0.000
380	A	413	GLU	-1	-0.915	-0.971	38.393	0.103	0.103	0.000	0.000	0.000	0.000
381	A	414	ASN	0	-0.040	-0.023	39.934	-0.004	-0.004	0.000	0.000	0.000	0.000
382	A	415	SER	0	0.007	0.037	42.475	-0.004	-0.004	0.000	0.000	0.000	0.000
383	A	416	THR	0	-0.026	-0.027	43.341	0.002	0.002	0.000	0.000	0.000	0.000
384	A	417	VAL	0	-0.002	0.004	42.974	-0.002	-0.002	0.000	0.000	0.000	0.000
385	A	418	THR	0	0.008	0.001	45.253	0.000	0.000	0.000	0.000	0.000	0.000
386	A	419	TRP	0	0.010	-0.001	42.434	0.001	0.001	0.000	0.000	0.000	0.000
387	A	420	LYS	1	0.925	0.966	46.377	-0.056	-0.056	0.000	0.000	0.000	0.000
388	A	421	VAL	0	0.002	0.012	45.176	-0.003	-0.003	0.000	0.000	0.000	0.000
389	A	422	ASN	0	0.017	-0.011	45.112	0.005	0.005	0.000	0.000	0.000	0.000
390	A	423	GLY	0	0.007	-0.006	41.518	0.003	0.003	0.000	0.000	0.000	0.000
391	A	424	VAL	0	-0.004	-0.004	39.968	-0.005	-0.005	0.000	0.000	0.000	0.000
392	A	425	GLU	-1	-0.904	-0.966	39.567	0.059	0.059	0.000	0.000	0.000	0.000
393	A	426	HIS	0	-0.043	-0.022	36.006	0.005	0.005	0.000	0.000	0.000	0.000
394	A	427	ASP	-1	-0.854	-0.903	35.095	0.117	0.117	0.000	0.000	0.000	0.000
395	A	428	ARG	1	0.881	0.963	27.746	-0.160	-0.160	0.000	0.000	0.000	0.000
396	A	429	LEU	0	0.042	0.028	33.934	0.008	0.008	0.000	0.000	0.000	0.000
397	A	430	SER	0	-0.008	-0.018	30.221	-0.003	-0.003	0.000	0.000	0.000	0.000
398	A	431	LYS	1	0.833	0.932	33.082	-0.117	-0.117	0.000	0.000	0.000	0.000
399	A	432	ILE	0	0.002	-0.002	30.096	0.005	0.005	0.000	0.000	0.000	0.000
400	A	433	GLY	0	0.035	0.030	32.911	-0.008	-0.008	0.000	0.000	0.000	0.000
401	A	434	LYS	1	0.987	0.966	32.880	-0.139	-0.139	0.000	0.000	0.000	0.000
402	A	435	GLY	0	0.029	0.020	36.556	-0.006	-0.006	0.000	0.000	0.000	0.000
403	A	436	THR	0	-0.049	-0.046	39.206	0.002	0.002	0.000	0.000	0.000	0.000
404	A	437	LEU	0	-0.005	-0.004	39.792	0.000	0.000	0.000	0.000	0.000	0.000
405	A	438	HIS	0	-0.062	-0.032	42.318	0.000	0.000	0.000	0.000	0.000	0.000
406	A	439	VAL	0	0.003	0.002	42.317	0.000	0.000	0.000	0.000	0.000	0.000
407	A	440	GLN	0	-0.019	-0.015	45.484	-0.002	-0.002	0.000	0.000	0.000	0.000
408	A	441	ALA	0	0.029	0.026	47.330	-0.002	-0.002	0.000	0.000	0.000	0.000
409	A	442	LYS	1	0.917	0.964	49.249	-0.044	-0.044	0.000	0.000	0.000	0.000
410	A	443	GLY	0	0.035	0.030	50.577	0.001	0.001	0.000	0.000	0.000	0.000
411	A	444	GLU	-1	-0.955	-0.985	46.405	0.047	0.047	0.000	0.000	0.000	0.000
412	A	445	ASN	0	0.018	0.007	41.482	0.001	0.001	0.000	0.000	0.000	0.000
413	A	446	LYS	1	0.989	0.982	42.548	-0.051	-0.051	0.000	0.000	0.000	0.000
414	A	447	GLY	0	0.009	0.032	39.187	0.002	0.002	0.000	0.000	0.000	0.000
415	A	448	SER	0	-0.029	-0.010	34.786	-0.001	-0.001	0.000	0.000	0.000	0.000
416	A	449	ILE	0	-0.005	-0.008	35.463	0.004	0.004	0.000	0.000	0.000	0.000
417	A	450	SER	0	-0.029	0.011	30.026	0.003	0.003	0.000	0.000	0.000	0.000
418	A	451	VAL	0	0.029	-0.008	32.576	0.005	0.005	0.000	0.000	0.000	0.000
419	A	452	GLY	0	0.014	0.014	30.307	0.001	0.001	0.000	0.000	0.000	0.000
420	A	453	ASP	-1	-0.910	-0.966	30.756	0.151	0.151	0.000	0.000	0.000	0.000
421	A	454	GLY	0	0.028	0.035	32.990	-0.006	-0.006	0.000	0.000	0.000	0.000
422	A	455	LYS	1	0.851	0.929	36.588	-0.075	-0.075	0.000	0.000	0.000	0.000
423	A	456	VAL	0	0.032	0.026	38.108	0.001	0.001	0.000	0.000	0.000	0.000
424	A	457	ILE	0	-0.045	-0.020	40.690	-0.002	-0.002	0.000	0.000	0.000	0.000
425	A	458	LEU	0	-0.028	-0.021	41.370	0.001	0.001	0.000	0.000	0.000	0.000
426	A	459	GLU	-1	-0.899	-0.970	45.169	0.048	0.048	0.000	0.000	0.000	0.000
427	A	460	GLN	0	-0.009	0.060	46.436	0.002	0.002	0.000	0.000	0.000	0.000
428	A	461	GLN	0	0.038	0.006	49.100	-0.002	-0.002	0.000	0.000	0.000	0.000
429	A	462	ALA	0	-0.008	-0.010	52.341	0.001	0.001	0.000	0.000	0.000	0.000
430	A	463	ASP	-1	-0.823	-0.922	53.773	0.040	0.040	0.000	0.000	0.000	0.000
431	A	464	ASP	-1	-0.906	-0.956	55.477	0.035	0.035	0.000	0.000	0.000	0.000
432	A	465	GLN	0	-0.063	-0.037	56.549	0.000	0.000	0.000	0.000	0.000	0.000
433	A	466	GLY	0	0.001	0.014	56.705	-0.001	-0.001	0.000	0.000	0.000	0.000
434	A	467	ASN	0	-0.089	-0.040	51.456	-0.001	-0.001	0.000	0.000	0.000	0.000
435	A	468	LYS	1	0.840	0.907	49.947	-0.040	-0.040	0.000	0.000	0.000	0.000
436	A	469	GLN	0	-0.066	-0.022	43.914	-0.003	-0.003	0.000	0.000	0.000	0.000
437	A	470	ALA	0	0.003	-0.036	43.593	0.002	0.002	0.000	0.000	0.000	0.000
438	A	471	PHE	0	-0.009	-0.012	39.274	0.005	0.005	0.000	0.000	0.000	0.000
439	A	472	SER	0	-0.013	0.004	39.110	-0.002	-0.002	0.000	0.000	0.000	0.000
440	A	473	GLU	-1	-0.969	-1.005	33.716	0.078	0.078	0.000	0.000	0.000	0.000
441	A	474	ILE	0	-0.017	-0.002	36.045	0.005	0.005	0.000	0.000	0.000	0.000
442	A	475	GLY	0	0.038	0.023	32.068	-0.004	-0.004	0.000	0.000	0.000	0.000
443	A	476	LEU	0	-0.081	-0.026	32.325	0.004	0.004	0.000	0.000	0.000	0.000
444	A	477	VAL	0	-0.033	-0.008	26.878	-0.001	-0.001	0.000	0.000	0.000	0.000
445	A	478	SER	0	0.009	0.005	26.162	0.002	0.002	0.000	0.000	0.000	0.000
446	A	479	GLY	0	0.008	0.002	27.209	0.004	0.004	0.000	0.000	0.000	0.000
447	A	480	ARG	1	0.801	0.890	27.961	-0.193	-0.193	0.000	0.000	0.000	0.000
448	A	481	GLY	0	0.010	0.030	31.654	-0.006	-0.006	0.000	0.000	0.000	0.000
449	A	482	THR	0	-0.047	-0.038	34.193	-0.007	-0.007	0.000	0.000	0.000	0.000
450	A	483	VAL	0	0.016	0.013	37.296	0.001	0.001	0.000	0.000	0.000	0.000
451	A	484	GLN	0	-0.001	-0.002	39.623	0.000	0.000	0.000	0.000	0.000	0.000
452	A	485	LEU	0	-0.026	-0.010	42.998	0.001	0.001	0.000	0.000	0.000	0.000
453	A	486	ASN	0	0.073	0.023	45.934	-0.001	-0.001	0.000	0.000	0.000	0.000
454	A	487	ASP	-1	-0.785	-0.876	48.854	0.040	0.040	0.000	0.000	0.000	0.000
455	A	488	ASP	-1	-0.897	-0.937	48.913	0.038	0.038	0.000	0.000	0.000	0.000
456	A	489	LYS	1	0.885	0.921	48.494	-0.031	-0.031	0.000	0.000	0.000	0.000
457	A	490	GLN	0	0.091	0.055	45.438	0.004	0.004	0.000	0.000	0.000	0.000
458	A	491	PHE	0	0.019	0.006	41.026	0.003	0.003	0.000	0.000	0.000	0.000
459	A	492	ASP	-1	-0.824	-0.900	41.934	0.038	0.038	0.000	0.000	0.000	0.000
460	A	493	THR	0	-0.038	-0.040	40.867	0.003	0.003	0.000	0.000	0.000	0.000
461	A	494	ASP	-1	-0.817	-0.900	39.127	0.035	0.035	0.000	0.000	0.000	0.000
462	A	495	LYS	1	0.866	0.926	37.011	-0.047	-0.047	0.000	0.000	0.000	0.000
463	A	496	PHE	0	0.017	0.014	36.004	0.006	0.006	0.000	0.000	0.000	0.000
464	A	497	TYR	0	-0.032	-0.016	29.263	0.001	0.001	0.000	0.000	0.000	0.000
465	A	498	PHE	0	-0.035	-0.007	31.292	0.006	0.006	0.000	0.000	0.000	0.000
466	A	499	GLY	0	0.053	0.011	27.771	-0.005	-0.005	0.000	0.000	0.000	0.000
467	A	500	PHE	0	0.008	-0.004	20.356	-0.004	-0.004	0.000	0.000	0.000	0.000
468	A	501	ARG	1	0.859	0.896	20.176	-0.231	-0.231	0.000	0.000	0.000	0.000
469	A	502	GLY	0	-0.016	0.012	26.570	-0.007	-0.007	0.000	0.000	0.000	0.000
470	A	503	GLY	0	0.044	0.023	29.992	0.011	0.011	0.000	0.000	0.000	0.000
471	A	504	ARG	1	0.879	0.946	32.988	-0.089	-0.089	0.000	0.000	0.000	0.000
472	A	505	LEU	0	0.025	0.020	36.763	0.002	0.002	0.000	0.000	0.000	0.000
473	A	506	ASP	-1	-0.796	-0.908	39.152	0.053	0.053	0.000	0.000	0.000	0.000
474	A	507	LEU	0	-0.002	-0.026	42.510	0.000	0.000	0.000	0.000	0.000	0.000
475	A	508	ASN	0	-0.010	0.001	45.225	-0.004	-0.004	0.000	0.000	0.000	0.000
476	A	509	GLY	0	0.005	0.005	47.775	-0.001	-0.001	0.000	0.000	0.000	0.000
477	A	510	HIS	1	0.833	0.928	48.092	-0.045	-0.045	0.000	0.000	0.000	0.000
478	A	511	SER	0	-0.003	-0.020	48.358	-0.001	-0.001	0.000	0.000	0.000	0.000
479	A	512	LEU	0	-0.015	0.005	42.936	0.001	0.001	0.000	0.000	0.000	0.000
480	A	513	THR	0	-0.003	-0.004	45.941	-0.003	-0.003	0.000	0.000	0.000	0.000
481	A	514	PHE	0	0.024	0.020	39.116	0.002	0.002	0.000	0.000	0.000	0.000
482	A	515	LYS	1	0.928	0.975	41.221	-0.029	-0.029	0.000	0.000	0.000	0.000
483	A	516	ARG	1	0.853	0.896	32.202	-0.038	-0.038	0.000	0.000	0.000	0.000
484	A	517	ILE	0	0.005	0.008	35.346	0.003	0.003	0.000	0.000	0.000	0.000
485	A	518	GLN	0	0.035	0.046	32.111	0.002	0.002	0.000	0.000	0.000	0.000
486	A	519	ASN	0	-0.002	-0.008	30.945	0.006	0.006	0.000	0.000	0.000	0.000
487	A	520	THR	0	0.006	0.025	24.348	-0.006	-0.006	0.000	0.000	0.000	0.000
488	A	521	ASP	-1	-0.822	-0.914	25.289	0.114	0.114	0.000	0.000	0.000	0.000
489	A	522	GLU	-1	-0.818	-0.930	27.494	0.062	0.062	0.000	0.000	0.000	0.000
490	A	523	GLY	0	-0.014	0.007	28.618	-0.001	-0.001	0.000	0.000	0.000	0.000
491	A	524	ALA	0	-0.058	-0.021	29.938	0.000	0.000	0.000	0.000	0.000	0.000
492	A	525	MET	0	-0.005	0.005	32.556	-0.007	-0.007	0.000	0.000	0.000	0.000
493	A	526	ILE	0	0.010	0.018	36.018	0.002	0.002	0.000	0.000	0.000	0.000
494	A	527	VAL	0	-0.016	-0.009	39.425	-0.003	-0.003	0.000	0.000	0.000	0.000
495	A	528	ASN	0	0.005	-0.023	42.160	0.002	0.002	0.000	0.000	0.000	0.000
496	A	529	HIS	0	-0.072	-0.046	41.049	-0.001	-0.001	0.000	0.000	0.000	0.000
497	A	530	ASN	0	0.016	0.016	46.381	-0.002	-0.002	0.000	0.000	0.000	0.000
498	A	531	THR	0	-0.006	-0.031	49.995	-0.002	-0.002	0.000	0.000	0.000	0.000
499	A	532	THR	0	-0.048	-0.014	52.338	-0.002	-0.002	0.000	0.000	0.000	0.000
500	A	533	GLN	0	-0.024	-0.003	53.368	0.000	0.000	0.000	0.000	0.000	0.000
501	A	534	ALA	0	-0.003	-0.005	51.790	0.002	0.002	0.000	0.000	0.000	0.000
502	A	535	ALA	0	0.040	0.029	47.848	0.001	0.001	0.000	0.000	0.000	0.000
503	A	536	ASN	0	0.004	0.001	48.543	-0.002	-0.002	0.000	0.000	0.000	0.000
504	A	537	VAL	0	0.049	0.030	42.215	0.002	0.002	0.000	0.000	0.000	0.000
505	A	538	THR	0	-0.038	-0.017	45.681	-0.003	-0.003	0.000	0.000	0.000	0.000
506	A	539	ILE	0	-0.002	0.002	40.128	0.002	0.002	0.000	0.000	0.000	0.000
507	A	540	THR	0	-0.014	-0.023	43.865	-0.003	-0.003	0.000	0.000	0.000	0.000
508	A	541	GLY	0	0.012	0.002	41.390	-0.003	-0.003	0.000	0.000	0.000	0.000
509	A	542	ASN	0	-0.053	-0.034	37.244	0.005	0.005	0.000	0.000	0.000	0.000
510	A	543	GLU	-1	-0.935	-0.962	41.537	0.013	0.013	0.000	0.000	0.000	0.000
511	A	544	SER	0	0.006	0.005	43.027	-0.003	-0.003	0.000	0.000	0.000	0.000
512	A	545	ILE	0	-0.028	-0.026	40.821	0.001	0.001	0.000	0.000	0.000	0.000
513	A	546	VAL	0	-0.050	-0.023	41.718	-0.003	-0.003	0.000	0.000	0.000	0.000
514	A	547	LEU	0	-0.041	-0.026	36.869	0.002	0.002	0.000	0.000	0.000	0.000
515	A	548	PRO	0	0.025	0.036	38.621	-0.001	-0.001	0.000	0.000	0.000	0.000
516	A	549	ASN	0	0.023	0.003	40.239	-0.005	-0.005	0.000	0.000	0.000	0.000
517	A	550	GLY	0	0.005	-0.002	38.999	0.003	0.003	0.000	0.000	0.000	0.000
518	A	551	ASN	0	-0.013	-0.020	34.249	-0.006	-0.006	0.000	0.000	0.000	0.000
519	A	552	ASN	0	-0.003	-0.010	32.855	-0.003	-0.003	0.000	0.000	0.000	0.000
520	A	553	ILE	0	0.026	0.034	33.867	0.003	0.003	0.000	0.000	0.000	0.000
521	A	554	ASN	0	0.070	0.038	31.973	-0.005	-0.005	0.000	0.000	0.000	0.000
522	A	555	LYS	1	0.980	0.970	31.696	0.018	0.018	0.000	0.000	0.000	0.000
523	A	556	LEU	0	-0.027	-0.009	29.390	-0.004	-0.004	0.000	0.000	0.000	0.000
524	A	557	ASP	-1	-0.830	-0.889	33.461	0.028	0.028	0.000	0.000	0.000	0.000
525	A	558	TYR	0	-0.018	-0.008	36.497	-0.001	-0.001	0.000	0.000	0.000	0.000
526	A	559	ARG	1	0.840	0.942	32.260	0.012	0.012	0.000	0.000	0.000	0.000
527	A	560	LYS	1	0.931	0.965	37.541	0.019	0.019	0.000	0.000	0.000	0.000
528	A	561	GLU	-1	-0.884	-0.948	35.617	-0.012	-0.012	0.000	0.000	0.000	0.000
529	A	562	ILE	0	-0.025	0.009	35.431	0.002	0.002	0.000	0.000	0.000	0.000
530	A	563	ALA	0	0.017	-0.006	32.561	-0.003	-0.003	0.000	0.000	0.000	0.000
531	A	564	TYR	0	-0.045	-0.024	33.894	0.006	0.006	0.000	0.000	0.000	0.000
532	A	565	ASN	0	0.012	-0.022	27.788	-0.009	-0.009	0.000	0.000	0.000	0.000
533	A	566	GLY	0	0.028	0.036	31.574	0.003	0.003	0.000	0.000	0.000	0.000
534	A	567	TRP	0	-0.010	-0.009	33.375	-0.009	-0.009	0.000	0.000	0.000	0.000
535	A	568	PHE	0	-0.016	0.001	36.551	0.002	0.002	0.000	0.000	0.000	0.000
536	A	569	GLY	0	0.049	0.013	40.235	-0.003	-0.003	0.000	0.000	0.000	0.000
537	A	570	GLU	-1	-0.776	-0.887	39.257	0.072	0.072	0.000	0.000	0.000	0.000
538	A	571	THR	0	-0.025	-0.024	36.385	-0.003	-0.003	0.000	0.000	0.000	0.000
539	A	572	ASP	-1	-0.906	-0.950	38.184	0.072	0.072	0.000	0.000	0.000	0.000
540	A	573	LYS	1	0.951	0.963	39.696	-0.047	-0.047	0.000	0.000	0.000	0.000
541	A	574	ASN	0	-0.022	-0.009	41.604	-0.004	-0.004	0.000	0.000	0.000	0.000
542	A	575	LYS	1	0.902	0.973	38.078	-0.081	-0.081	0.000	0.000	0.000	0.000
543	A	576	HIS	0	-0.002	0.019	43.593	-0.004	-0.004	0.000	0.000	0.000	0.000
544	A	577	ASN	0	-0.019	-0.025	44.850	0.002	0.002	0.000	0.000	0.000	0.000
545	A	578	GLY	0	0.054	0.039	46.173	-0.003	-0.003	0.000	0.000	0.000	0.000
546	A	579	ARG	1	0.820	0.887	47.926	-0.027	-0.027	0.000	0.000	0.000	0.000
547	A	580	LEU	0	-0.023	0.003	43.298	0.002	0.002	0.000	0.000	0.000	0.000
548	A	581	ASN	0	-0.011	0.005	47.876	-0.002	-0.002	0.000	0.000	0.000	0.000
549	A	582	LEU	0	0.004	0.006	42.498	0.002	0.002	0.000	0.000	0.000	0.000
550	A	583	ILE	0	-0.017	-0.009	46.343	-0.003	-0.003	0.000	0.000	0.000	0.000
551	A	584	TYR	0	-0.012	-0.014	43.032	0.002	0.002	0.000	0.000	0.000	0.000
552	A	585	LYS	1	0.963	0.963	46.177	-0.018	-0.018	0.000	0.000	0.000	0.000
553	A	586	PRO	0	0.009	0.023	45.202	0.001	0.001	0.000	0.000	0.000	0.000
554	A	587	THR	0	0.023	-0.001	47.064	-0.001	-0.001	0.000	0.000	0.000	0.000
555	A	588	THR	0	-0.038	-0.014	47.342	-0.001	-0.001	0.000	0.000	0.000	0.000
556	A	589	GLU	-1	-0.824	-0.937	47.675	-0.002	-0.002	0.000	0.000	0.000	0.000
557	A	590	ASP	-1	-0.908	-0.961	43.834	-0.013	-0.013	0.000	0.000	0.000	0.000
558	A	591	ARG	1	0.946	0.978	42.568	-0.001	-0.001	0.000	0.000	0.000	0.000
559	A	592	THR	0	-0.017	-0.004	38.745	0.000	0.000	0.000	0.000	0.000	0.000
560	A	593	LEU	0	0.023	0.030	38.114	0.001	0.001	0.000	0.000	0.000	0.000
561	A	594	LEU	0	-0.016	-0.015	32.586	-0.002	-0.002	0.000	0.000	0.000	0.000
562	A	595	LEU	0	0.012	0.008	35.934	0.005	0.005	0.000	0.000	0.000	0.000
563	A	596	SER	0	0.003	-0.004	31.659	-0.002	-0.002	0.000	0.000	0.000	0.000
564	A	597	GLY	0	0.041	0.035	32.522	0.001	0.001	0.000	0.000	0.000	0.000
565	A	598	GLY	0	0.009	-0.001	33.726	-0.002	-0.002	0.000	0.000	0.000	0.000
566	A	599	THR	0	-0.029	-0.019	37.052	0.001	0.001	0.000	0.000	0.000	0.000
567	A	600	ASN	0	-0.044	-0.035	40.583	-0.005	-0.005	0.000	0.000	0.000	0.000
568	A	601	LEU	0	-0.005	-0.003	42.786	0.002	0.002	0.000	0.000	0.000	0.000
569	A	602	LYS	1	0.972	0.995	45.707	-0.035	-0.035	0.000	0.000	0.000	0.000
570	A	603	GLY	0	0.041	0.011	49.035	0.001	0.001	0.000	0.000	0.000	0.000
571	A	604	ASP	-1	-0.807	-0.893	49.624	0.018	0.018	0.000	0.000	0.000	0.000
572	A	605	ILE	0	0.006	-0.005	43.748	0.002	0.002	0.000	0.000	0.000	0.000
573	A	606	THR	0	-0.043	-0.016	47.899	-0.002	-0.002	0.000	0.000	0.000	0.000
574	A	607	GLN	0	-0.038	-0.024	46.456	0.002	0.002	0.000	0.000	0.000	0.000
575	A	608	THR	0	0.017	-0.007	49.210	0.000	0.000	0.000	0.000	0.000	0.000
576	A	609	LYS	1	0.887	0.951	49.417	-0.005	-0.005	0.000	0.000	0.000	0.000
577	A	610	GLY	0	0.016	0.026	46.212	0.001	0.001	0.000	0.000	0.000	0.000
578	A	611	LYS	1	0.862	0.918	42.202	0.010	0.010	0.000	0.000	0.000	0.000
579	A	612	LEU	0	0.030	0.026	41.423	0.002	0.002	0.000	0.000	0.000	0.000
580	A	613	PHE	0	-0.015	-0.007	38.246	-0.002	-0.002	0.000	0.000	0.000	0.000
581	A	614	PHE	0	0.027	0.015	38.874	0.003	0.003	0.000	0.000	0.000	0.000
582	A	615	SER	0	-0.031	-0.044	33.863	-0.006	-0.006	0.000	0.000	0.000	0.000
583	A	616	GLY	0	0.068	0.048	33.178	0.006	0.006	0.000	0.000	0.000	0.000
584	A	617	ARG	1	0.759	0.858	23.929	-0.027	-0.027	0.000	0.000	0.000	0.000
585	A	618	PRO	0	0.032	0.032	25.239	0.002	0.002	0.000	0.000	0.000	0.000
586	A	619	THR	0	0.002	-0.026	22.008	0.018	0.018	0.000	0.000	0.000	0.000
587	A	620	PRO	0	-0.029	-0.007	20.533	-0.015	-0.015	0.000	0.000	0.000	0.000
588	A	621	HIS	1	0.814	0.884	17.396	0.066	0.066	0.000	0.000	0.000	0.000
589	A	622	ALA	0	-0.037	-0.013	12.675	0.005	0.005	0.000	0.000	0.000	0.000
590	A	623	TYR	0	0.018	0.009	14.439	-0.054	-0.054	0.000	0.000	0.000	0.000
591	A	624	ASN	0	0.021	-0.017	13.015	-0.115	-0.115	0.000	0.000	0.000	0.000
592	A	625	HIS	0	-0.031	-0.025	10.741	0.002	0.002	0.000	0.000	0.000	0.000
593	A	626	LEU	0	-0.042	-0.004	9.046	-0.059	-0.059	0.000	0.000	0.000	0.000
594	A	627	ASN	0	0.025	0.024	12.574	0.082	0.082	0.000	0.000	0.000	0.000
595	A	628	LYS	1	1.014	0.986	15.402	0.228	0.228	0.000	0.000	0.000	0.000
596	A	629	ARG	1	0.998	1.017	15.933	0.574	0.574	0.000	0.000	0.000	0.000
597	A	630	TRP	0	0.021	-0.002	12.219	-0.007	-0.007	0.000	0.000	0.000	0.000
598	A	631	SER	0	0.007	0.007	14.335	-0.030	-0.030	0.000	0.000	0.000	0.000
599	A	632	GLU	-1	-0.924	-0.968	15.847	-0.297	-0.297	0.000	0.000	0.000	0.000
600	A	633	MET	0	-0.099	-0.028	14.703	0.019	0.019	0.000	0.000	0.000	0.000
601	A	634	GLU	-1	-0.808	-0.906	13.460	-0.646	-0.646	0.000	0.000	0.000	0.000
602	A	635	GLY	0	0.001	0.021	15.661	0.043	0.043	0.000	0.000	0.000	0.000
603	A	636	ILE	0	-0.052	-0.024	13.837	0.042	0.042	0.000	0.000	0.000	0.000
604	A	637	PRO	0	0.032	0.011	18.246	-0.020	-0.020	0.000	0.000	0.000	0.000
605	A	638	GLN	0	-0.012	0.004	17.303	-0.051	-0.051	0.000	0.000	0.000	0.000
606	A	639	GLY	0	0.019	0.015	16.892	0.034	0.034	0.000	0.000	0.000	0.000
607	A	640	GLU	-1	-0.871	-0.944	17.494	-0.064	-0.064	0.000	0.000	0.000	0.000
608	A	641	ILE	0	-0.013	0.014	16.120	-0.010	-0.010	0.000	0.000	0.000	0.000
609	A	642	VAL	0	0.023	0.004	19.339	0.026	0.026	0.000	0.000	0.000	0.000
610	A	643	TRP	0	-0.024	-0.018	18.331	0.002	0.002	0.000	0.000	0.000	0.000
611	A	644	ASP	-1	-0.801	-0.914	24.348	-0.050	-0.050	0.000	0.000	0.000	0.000
612	A	645	HIS	0	-0.012	-0.007	24.697	0.018	0.018	0.000	0.000	0.000	0.000
613	A	646	ASP	-1	-0.847	-0.894	23.196	-0.027	-0.027	0.000	0.000	0.000	0.000
614	A	647	TRP	0	0.020	0.006	26.005	0.005	0.005	0.000	0.000	0.000	0.000
615	A	648	ILE	0	0.002	0.004	25.717	0.003	0.003	0.000	0.000	0.000	0.000
616	A	649	ASN	0	0.009	-0.002	29.485	-0.006	-0.006	0.000	0.000	0.000	0.000
617	A	650	ARG	1	0.807	0.904	29.204	-0.036	-0.036	0.000	0.000	0.000	0.000
618	A	651	THR	0	-0.002	0.000	35.305	-0.003	-0.003	0.000	0.000	0.000	0.000
619	A	652	PHE	0	-0.020	-0.012	36.685	0.003	0.003	0.000	0.000	0.000	0.000
620	A	653	LYS	1	0.918	0.980	41.188	-0.030	-0.030	0.000	0.000	0.000	0.000
621	A	654	ALA	0	-0.031	0.000	44.425	0.003	0.003	0.000	0.000	0.000	0.000
622	A	655	GLU	-1	-0.848	-0.901	47.220	0.024	0.024	0.000	0.000	0.000	0.000
623	A	656	ASN	0	-0.044	-0.028	50.996	-0.003	-0.003	0.000	0.000	0.000	0.000
624	A	657	PHE	0	0.003	0.007	45.061	0.002	0.002	0.000	0.000	0.000	0.000
625	A	658	GLN	0	-0.029	-0.020	50.180	-0.003	-0.003	0.000	0.000	0.000	0.000
626	A	659	ILE	0	-0.022	-0.012	48.458	0.001	0.001	0.000	0.000	0.000	0.000
627	A	660	LYS	1	0.998	0.996	51.746	-0.013	-0.013	0.000	0.000	0.000	0.000
628	A	661	GLY	0	0.030	0.022	52.519	-0.001	-0.001	0.000	0.000	0.000	0.000
629	A	662	GLY	0	-0.032	-0.007	49.636	0.001	0.001	0.000	0.000	0.000	0.000
630	A	663	SER	0	-0.017	-0.010	46.760	-0.001	-0.001	0.000	0.000	0.000	0.000
631	A	664	ALA	0	0.055	0.043	45.373	0.001	0.001	0.000	0.000	0.000	0.000
632	A	665	VAL	0	-0.013	-0.015	41.720	-0.002	-0.002	0.000	0.000	0.000	0.000
633	A	666	VAL	0	0.004	0.007	41.459	0.002	0.002	0.000	0.000	0.000	0.000
634	A	667	SER	0	0.000	-0.002	37.488	-0.004	-0.004	0.000	0.000	0.000	0.000
635	A	668	ARG	1	0.854	0.915	30.969	0.038	0.038	0.000	0.000	0.000	0.000
636	A	669	ASN	0	0.012	-0.009	32.644	-0.001	-0.001	0.000	0.000	0.000	0.000
637	A	670	VAL	0	0.055	0.048	35.124	0.005	0.005	0.000	0.000	0.000	0.000
638	A	671	SER	0	-0.007	-0.017	36.751	-0.004	-0.004	0.000	0.000	0.000	0.000
639	A	672	SER	0	-0.022	-0.016	38.974	-0.001	-0.001	0.000	0.000	0.000	0.000
640	A	673	ILE	0	-0.008	0.005	41.428	0.002	0.002	0.000	0.000	0.000	0.000
641	A	674	GLU	-1	-0.912	-0.966	43.936	0.020	0.020	0.000	0.000	0.000	0.000
642	A	675	GLY	0	0.065	0.027	46.816	0.002	0.002	0.000	0.000	0.000	0.000
643	A	676	ASN	0	-0.022	-0.007	49.778	-0.003	-0.003	0.000	0.000	0.000	0.000
644	A	677	TRP	0	0.024	0.007	46.035	0.000	0.000	0.000	0.000	0.000	0.000
645	A	678	THR	0	0.002	0.000	52.760	-0.001	-0.001	0.000	0.000	0.000	0.000
646	A	679	VAL	0	-0.035	-0.010	52.539	0.001	0.001	0.000	0.000	0.000	0.000
647	A	680	SER	0	0.039	0.021	55.008	0.000	0.000	0.000	0.000	0.000	0.000
648	A	681	ASN	0	-0.057	-0.073	56.699	-0.001	-0.001	0.000	0.000	0.000	0.000
649	A	682	ASN	0	0.011	-0.008	56.888	-0.001	-0.001	0.000	0.000	0.000	0.000
650	A	683	ALA	0	-0.050	0.002	52.690	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	684	ASN	0	0.010	-0.013	50.383	-0.001	-0.001	0.000	0.000	0.000	0.000
652	A	685	ALA	0	0.042	0.030	48.636	0.001	0.001	0.000	0.000	0.000	0.000
653	A	686	THR	0	-0.039	-0.017	45.667	-0.002	-0.002	0.000	0.000	0.000	0.000
654	A	687	PHE	0	0.006	-0.012	44.854	0.001	0.001	0.000	0.000	0.000	0.000
655	A	688	GLY	0	0.059	0.046	42.547	-0.001	-0.001	0.000	0.000	0.000	0.000
656	A	689	VAL	0	-0.057	-0.027	38.215	-0.001	-0.001	0.000	0.000	0.000	0.000
657	A	690	VAL	0	0.018	-0.014	41.453	0.001	0.001	0.000	0.000	0.000	0.000
658	A	691	PRO	0	-0.003	-0.015	40.464	-0.003	-0.003	0.000	0.000	0.000	0.000
659	A	692	ASN	0	-0.020	-0.019	40.392	-0.002	-0.002	0.000	0.000	0.000	0.000
660	A	693	GLN	0	0.025	0.028	41.556	0.001	0.001	0.000	0.000	0.000	0.000
661	A	694	GLN	0	0.003	0.002	39.604	0.002	0.002	0.000	0.000	0.000	0.000
662	A	695	ASN	0	-0.024	-0.004	38.787	0.007	0.007	0.000	0.000	0.000	0.000
663	A	696	THR	0	-0.029	-0.021	38.377	-0.004	-0.004	0.000	0.000	0.000	0.000
664	A	697	ILE	0	0.010	0.012	33.100	0.004	0.004	0.000	0.000	0.000	0.000
665	A	698	CYS	0	-0.057	-0.012	32.982	0.000	0.000	0.000	0.000	0.000	0.000
666	A	699	THR	0	0.027	0.012	28.992	0.002	0.002	0.000	0.000	0.000	0.000
667	A	700	ARG	1	0.787	0.889	27.946	-0.039	-0.039	0.000	0.000	0.000	0.000
668	A	701	SER	0	-0.036	-0.007	23.900	0.007	0.007	0.000	0.000	0.000	0.000
669	A	702	ASP	-1	-0.767	-0.883	21.681	0.041	0.041	0.000	0.000	0.000	0.000
670	A	703	TRP	0	-0.020	0.014	15.607	0.022	0.022	0.000	0.000	0.000	0.000
671	A	704	THR	0	0.026	-0.006	21.605	0.010	0.010	0.000	0.000	0.000	0.000
672	A	705	GLY	0	0.035	0.017	24.850	0.006	0.006	0.000	0.000	0.000	0.000
673	A	706	LEU	0	-0.028	-0.024	27.399	0.001	0.001	0.000	0.000	0.000	0.000
674	A	707	THR	0	0.023	0.013	29.250	-0.001	-0.001	0.000	0.000	0.000	0.000
675	A	708	THR	0	-0.011	-0.011	30.468	0.000	0.000	0.000	0.000	0.000	0.000
676	A	710	GLN	0	0.004	-0.006	32.068	0.000	0.000	0.000	0.000	0.000	0.000
677	A	711	LYS	1	0.946	0.978	36.504	0.032	0.032	0.000	0.000	0.000	0.000
678	A	712	VAL	0	0.033	0.017	33.197	-0.004	-0.004	0.000	0.000	0.000	0.000
679	A	713	ASP	-1	-0.850	-0.937	36.214	-0.050	-0.050	0.000	0.000	0.000	0.000
680	A	714	LEU	0	-0.055	-0.005	35.581	-0.003	-0.003	0.000	0.000	0.000	0.000
681	A	715	THR	0	0.060	0.010	36.256	0.002	0.002	0.000	0.000	0.000	0.000
682	A	716	ASP	-1	-0.835	-0.898	31.427	-0.084	-0.084	0.000	0.000	0.000	0.000
683	A	717	THR	0	0.073	0.024	34.739	0.006	0.006	0.000	0.000	0.000	0.000
684	A	718	LYS	1	0.910	0.962	27.266	0.088	0.088	0.000	0.000	0.000	0.000
685	A	719	VAL	0	-0.017	-0.014	30.499	0.005	0.005	0.000	0.000	0.000	0.000
686	A	720	ILE	0	0.013	0.008	32.711	0.007	0.007	0.000	0.000	0.000	0.000
687	A	721	ASN	0	-0.044	-0.030	35.084	0.008	0.008	0.000	0.000	0.000	0.000
688	A	722	SER	0	-0.103	-0.034	31.498	0.005	0.005	0.000	0.000	0.000	0.000
689	A	723	ILE	0	-0.051	-0.023	33.583	0.006	0.006	0.000	0.000	0.000	0.000
690	A	724	PRO	0	-0.019	0.003	35.368	0.000	0.000	0.000	0.000	0.000	0.000
691	A	725	LYS	1	0.965	0.976	38.303	0.014	0.014	0.000	0.000	0.000	0.000
692	A	726	THR	0	-0.004	0.003	40.629	0.002	0.002	0.000	0.000	0.000	0.000
693	A	727	GLN	0	-0.033	-0.015	42.553	0.000	0.000	0.000	0.000	0.000	0.000
694	A	728	ILE	0	0.027	0.007	45.131	0.002	0.002	0.000	0.000	0.000	0.000
695	A	729	ASN	0	0.018	0.005	46.128	-0.002	-0.002	0.000	0.000	0.000	0.000
696	A	730	GLY	0	0.086	0.037	49.119	0.002	0.002	0.000	0.000	0.000	0.000
697	A	731	SER	0	-0.075	-0.020	52.045	-0.002	-0.002	0.000	0.000	0.000	0.000
698	A	732	ILE	0	0.000	-0.010	51.663	0.001	0.001	0.000	0.000	0.000	0.000
699	A	733	ASN	0	0.011	0.011	55.275	-0.001	-0.001	0.000	0.000	0.000	0.000
700	A	734	LEU	0	-0.021	-0.011	55.027	0.000	0.000	0.000	0.000	0.000	0.000
701	A	735	THR	0	0.014	-0.001	58.603	0.000	0.000	0.000	0.000	0.000	0.000
702	A	736	ASP	-1	-0.832	-0.919	60.251	0.002	0.002	0.000	0.000	0.000	0.000
703	A	737	ASN	0	0.015	-0.005	60.197	0.000	0.000	0.000	0.000	0.000	0.000
704	A	738	ALA	0	-0.050	0.006	56.269	-0.001	-0.001	0.000	0.000	0.000	0.000
705	A	739	THR	0	-0.007	-0.006	53.624	-0.001	-0.001	0.000	0.000	0.000	0.000
706	A	740	ALA	0	-0.009	-0.008	52.277	0.001	0.001	0.000	0.000	0.000	0.000
707	A	741	ASN	0	-0.028	-0.023	49.539	-0.002	-0.002	0.000	0.000	0.000	0.000
708	A	742	VAL	0	0.020	0.025	48.394	0.000	0.000	0.000	0.000	0.000	0.000
709	A	743	LYS	1	0.955	0.978	44.964	0.017	0.017	0.000	0.000	0.000	0.000
710	A	744	GLY	0	0.028	0.016	44.763	0.000	0.000	0.000	0.000	0.000	0.000
711	A	745	LEU	0	-0.055	-0.022	39.379	0.002	0.002	0.000	0.000	0.000	0.000
712	A	746	ALA	0	-0.015	-0.023	42.662	0.002	0.002	0.000	0.000	0.000	0.000
713	A	747	LYS	1	0.897	0.958	45.325	0.000	0.000	0.000	0.000	0.000	0.000
714	A	748	LEU	0	-0.011	0.009	48.094	0.002	0.002	0.000	0.000	0.000	0.000
715	A	749	ASN	0	-0.062	-0.040	48.188	-0.002	-0.002	0.000	0.000	0.000	0.000
716	A	750	GLY	0	0.077	0.033	51.873	0.002	0.002	0.000	0.000	0.000	0.000
717	A	751	ASN	0	-0.022	-0.009	54.809	-0.002	-0.002	0.000	0.000	0.000	0.000
718	A	752	VAL	0	0.019	0.013	55.654	0.001	0.001	0.000	0.000	0.000	0.000
719	A	753	THR	0	-0.036	-0.017	58.228	0.000	0.000	0.000	0.000	0.000	0.000
720	A	754	LEU	0	-0.012	-0.004	59.326	0.000	0.000	0.000	0.000	0.000	0.000
721	A	755	THR	0	0.014	0.017	62.241	0.000	0.000	0.000	0.000	0.000	0.000
722	A	756	ASN	0	-0.014	-0.003	63.834	0.000	0.000	0.000	0.000	0.000	0.000
723	A	757	HIS	0	0.028	0.009	64.154	-0.001	-0.001	0.000	0.000	0.000	0.000
724	A	758	SER	0	-0.043	-0.006	59.680	-0.001	-0.001	0.000	0.000	0.000	0.000
725	A	759	GLN	0	0.024	-0.001	58.140	-0.001	-0.001	0.000	0.000	0.000	0.000
726	A	760	PHE	0	0.013	-0.001	53.273	0.000	0.000	0.000	0.000	0.000	0.000
727	A	761	THR	0	-0.028	-0.014	53.723	-0.001	-0.001	0.000	0.000	0.000	0.000
728	A	762	LEU	0	-0.024	0.002	51.844	0.000	0.000	0.000	0.000	0.000	0.000
729	A	763	SER	0	0.066	0.018	50.991	-0.001	-0.001	0.000	0.000	0.000	0.000
730	A	764	ASN	0	-0.041	-0.038	47.562	-0.001	-0.001	0.000	0.000	0.000	0.000
731	A	765	ASN	0	0.006	-0.005	47.679	-0.001	-0.001	0.000	0.000	0.000	0.000
732	A	766	ALA	0	-0.025	0.025	48.422	0.001	0.001	0.000	0.000	0.000	0.000
733	A	767	THR	0	-0.035	-0.025	49.354	0.000	0.000	0.000	0.000	0.000	0.000
734	A	768	GLN	0	-0.014	-0.014	50.953	0.000	0.000	0.000	0.000	0.000	0.000
735	A	769	ILE	0	-0.064	-0.032	52.620	-0.001	-0.001	0.000	0.000	0.000	0.000
736	A	770	GLY	0	0.020	0.009	55.089	0.002	0.002	0.000	0.000	0.000	0.000
737	A	771	ASN	0	-0.010	0.001	57.811	-0.002	-0.002	0.000	0.000	0.000	0.000
738	A	772	ILE	0	0.017	0.006	58.545	0.000	0.000	0.000	0.000	0.000	0.000
739	A	773	ARG	1	0.909	0.965	61.500	-0.001	-0.001	0.000	0.000	0.000	0.000
740	A	774	LEU	0	-0.011	-0.012	62.716	0.000	0.000	0.000	0.000	0.000	0.000
741	A	775	SER	0	0.006	0.008	65.553	0.000	0.000	0.000	0.000	0.000	0.000
742	A	776	ASP	-1	-0.853	-0.933	67.351	0.000	0.000	0.000	0.000	0.000	0.000
743	A	777	ASN	0	-0.015	-0.022	67.741	-0.001	-0.001	0.000	0.000	0.000	0.000
744	A	778	SER	0	-0.048	-0.003	63.195	-0.001	-0.001	0.000	0.000	0.000	0.000
745	A	779	THR	0	0.017	-0.006	61.699	-0.001	-0.001	0.000	0.000	0.000	0.000
746	A	780	ALA	0	-0.010	-0.004	60.048	0.000	0.000	0.000	0.000	0.000	0.000
747	A	781	THR	0	-0.025	-0.015	57.919	-0.001	-0.001	0.000	0.000	0.000	0.000
748	A	782	VAL	0	-0.035	-0.010	56.458	0.000	0.000	0.000	0.000	0.000	0.000
749	A	783	ASP	-1	-0.920	-0.963	55.007	-0.018	-0.018	0.000	0.000	0.000	0.000
750	A	784	ASN	0	0.037	0.011	51.764	0.000	0.000	0.000	0.000	0.000	0.000
751	A	785	ALA	0	-0.037	-0.006	52.783	-0.001	-0.001	0.000	0.000	0.000	0.000
752	A	786	ASN	0	-0.027	-0.022	52.145	0.000	0.000	0.000	0.000	0.000	0.000
753	A	787	LEU	0	0.024	0.018	54.765	0.001	0.001	0.000	0.000	0.000	0.000
754	A	788	ASN	0	-0.044	-0.024	55.959	0.000	0.000	0.000	0.000	0.000	0.000
755	A	789	GLY	0	0.061	0.020	58.116	0.001	0.001	0.000	0.000	0.000	0.000
756	A	790	ASN	0	0.023	-0.009	60.865	-0.001	-0.001	0.000	0.000	0.000	0.000
757	A	791	VAL	0	0.026	0.014	62.742	0.000	0.000	0.000	0.000	0.000	0.000
758	A	792	HIS	0	-0.018	-0.006	65.110	0.000	0.000	0.000	0.000	0.000	0.000
759	A	793	LEU	0	-0.005	-0.011	67.239	0.000	0.000	0.000	0.000	0.000	0.000
760	A	794	THR	0	0.025	0.000	69.229	0.000	0.000	0.000	0.000	0.000	0.000
761	A	795	ASP	-1	-0.828	-0.907	71.139	-0.001	-0.001	0.000	0.000	0.000	0.000
762	A	796	SER	0	-0.043	-0.025	71.494	0.000	0.000	0.000	0.000	0.000	0.000
763	A	797	ALA	0	-0.042	0.014	67.233	-0.001	-0.001	0.000	0.000	0.000	0.000
764	A	798	GLN	0	0.017	-0.009	66.383	-0.001	-0.001	0.000	0.000	0.000	0.000
765	A	799	PHE	0	0.006	0.002	61.077	0.000	0.000	0.000	0.000	0.000	0.000
766	A	800	SER	0	-0.011	-0.010	62.067	-0.001	-0.001	0.000	0.000	0.000	0.000
767	A	801	LEU	0	0.011	0.010	60.393	0.000	0.000	0.000	0.000	0.000	0.000
768	A	802	LYS	1	1.000	0.989	59.009	0.014	0.014	0.000	0.000	0.000	0.000
769	A	803	ASN	0	0.017	0.022	57.284	-0.001	-0.001	0.000	0.000	0.000	0.000
770	A	804	SER	0	0.005	-0.018	57.370	-0.001	-0.001	0.000	0.000	0.000	0.000
771	A	805	HIS	0	-0.034	-0.025	58.703	0.001	0.001	0.000	0.000	0.000	0.000
772	A	806	PHE	0	-0.037	-0.012	59.600	0.000	0.000	0.000	0.000	0.000	0.000
773	A	807	SER	0	0.029	0.015	62.058	0.000	0.000	0.000	0.000	0.000	0.000
774	A	808	HIS	0	0.002	0.014	60.402	0.001	0.001	0.000	0.000	0.000	0.000
775	A	809	GLN	0	0.013	0.003	64.957	0.000	0.000	0.000	0.000	0.000	0.000
776	A	810	ILE	0	-0.005	-0.003	65.960	0.000	0.000	0.000	0.000	0.000	0.000
777	A	811	GLN	0	-0.014	0.007	68.554	0.000	0.000	0.000	0.000	0.000	0.000
778	A	812	GLY	0	0.020	0.013	70.472	0.000	0.000	0.000	0.000	0.000	0.000
779	A	813	ASP	-1	-0.903	-0.945	72.519	-0.001	-0.001	0.000	0.000	0.000	0.000
780	A	814	LYS	1	0.975	0.974	75.116	0.001	0.001	0.000	0.000	0.000	0.000
781	A	815	GLY	0	0.037	0.032	75.777	0.000	0.000	0.000	0.000	0.000	0.000
782	A	816	THR	0	-0.049	-0.021	71.166	-0.001	-0.001	0.000	0.000	0.000	0.000
783	A	817	THR	0	0.008	-0.009	70.343	0.000	0.000	0.000	0.000	0.000	0.000
784	A	818	VAL	0	-0.002	0.011	67.509	0.000	0.000	0.000	0.000	0.000	0.000
785	A	819	THR	0	-0.009	-0.015	66.471	0.000	0.000	0.000	0.000	0.000	0.000
786	A	820	LEU	0	-0.028	-0.011	65.352	0.000	0.000	0.000	0.000	0.000	0.000
787	A	821	GLU	-1	-0.938	-0.974	62.951	-0.017	-0.017	0.000	0.000	0.000	0.000
788	A	822	ASN	0	-0.001	0.012	61.228	0.000	0.000	0.000	0.000	0.000	0.000
789	A	823	ALA	0	-0.020	-0.006	61.869	0.000	0.000	0.000	0.000	0.000	0.000
790	A	824	THR	0	0.005	0.011	62.795	0.000	0.000	0.000	0.000	0.000	0.000
791	A	825	TRP	0	-0.020	-0.033	63.934	0.000	0.000	0.000	0.000	0.000	0.000
792	A	826	THR	0	-0.005	-0.008	65.805	0.000	0.000	0.000	0.000	0.000	0.000
793	A	827	MET	0	-0.022	0.007	67.359	0.001	0.001	0.000	0.000	0.000	0.000
794	A	828	PRO	0	-0.036	-0.013	67.326	0.000	0.000	0.000	0.000	0.000	0.000
795	A	829	SER	0	-0.033	-0.027	69.838	0.000	0.000	0.000	0.000	0.000	0.000
796	A	830	ASP	-1	-0.841	-0.914	73.262	-0.003	-0.003	0.000	0.000	0.000	0.000
797	A	831	THR	0	-0.040	-0.018	72.336	0.000	0.000	0.000	0.000	0.000	0.000
798	A	832	THR	0	-0.044	-0.021	74.593	0.000	0.000	0.000	0.000	0.000	0.000
799	A	833	LEU	0	0.000	0.001	71.169	0.000	0.000	0.000	0.000	0.000	0.000
800	A	834	GLN	0	0.004	0.010	74.574	0.000	0.000	0.000	0.000	0.000	0.000
801	A	835	ASN	0	-0.012	0.041	74.323	0.000	0.000	0.000	0.000	0.000	0.000
802	A	836	LEU	0	-0.008	-0.001	71.149	0.000	0.000	0.000	0.000	0.000	0.000
803	A	837	THR	0	0.022	0.008	70.497	0.000	0.000	0.000	0.000	0.000	0.000
804	A	838	LEU	0	-0.036	-0.013	70.057	0.000	0.000	0.000	0.000	0.000	0.000
805	A	839	ASN	0	0.059	0.014	66.326	0.000	0.000	0.000	0.000	0.000	0.000
806	A	840	ASN	0	0.023	0.025	65.133	0.000	0.000	0.000	0.000	0.000	0.000
807	A	841	SER	0	-0.023	0.006	66.336	0.000	0.000	0.000	0.000	0.000	0.000
808	A	842	THR	0	-0.029	-0.014	67.416	0.000	0.000	0.000	0.000	0.000	0.000
809	A	843	ILE	0	-0.004	0.005	68.227	0.000	0.000	0.000	0.000	0.000	0.000
810	A	844	THR	0	-0.051	-0.035	69.497	0.000	0.000	0.000	0.000	0.000	0.000
811	A	845	LEU	0	-0.006	-0.004	71.078	0.000	0.000	0.000	0.000	0.000	0.000
812	A	846	ASN	0	0.030	0.007	73.085	0.001	0.001	0.000	0.000	0.000	0.000
813	A	847	SER	0	0.041	0.014	68.605	-0.001	-0.001	0.000	0.000	0.000	0.000
814	A	848	ALA	0	-0.045	-0.023	69.696	0.000	0.000	0.000	0.000	0.000	0.000
815	A	849	TYR	0	-0.032	-0.008	70.709	-0.001	-0.001	0.000	0.000	0.000	0.000
816	A	850	SER	0	-0.009	0.001	67.126	0.000	0.000	0.000	0.000	0.000	0.000
817	A	874	ARG	1	0.925	0.948	75.693	0.005	0.005	0.000	0.000	0.000	0.000
818	A	875	PHE	0	-0.077	-0.031	77.523	0.000	0.000	0.000	0.000	0.000	0.000
819	A	876	ASN	0	0.029	0.022	73.727	0.001	0.001	0.000	0.000	0.000	0.000
820	A	877	THR	0	0.001	0.008	77.731	0.000	0.000	0.000	0.000	0.000	0.000
821	A	878	LEU	0	0.003	0.012	73.692	0.000	0.000	0.000	0.000	0.000	0.000
822	A	879	THR	0	-0.014	-0.010	77.150	0.000	0.000	0.000	0.000	0.000	0.000
823	A	880	VAL	0	-0.004	-0.010	76.412	0.000	0.000	0.000	0.000	0.000	0.000
824	A	881	ASN	0	-0.034	-0.027	78.592	0.000	0.000	0.000	0.000	0.000	0.000
825	A	882	GLY	0	-0.027	-0.030	78.933	0.000	0.000	0.000	0.000	0.000	0.000
826	A	883	LYS	1	0.988	0.981	78.155	0.007	0.007	0.000	0.000	0.000	0.000
827	A	884	LEU	0	0.001	0.008	75.486	0.000	0.000	0.000	0.000	0.000	0.000
828	A	885	SER	0	-0.042	-0.024	75.364	0.000	0.000	0.000	0.000	0.000	0.000
829	A	886	GLY	0	0.056	0.033	73.652	0.000	0.000	0.000	0.000	0.000	0.000
830	A	887	GLN	0	0.039	-0.006	71.152	0.000	0.000	0.000	0.000	0.000	0.000
831	A	888	GLY	0	0.000	-0.005	71.871	0.000	0.000	0.000	0.000	0.000	0.000
832	A	889	THR	0	-0.005	-0.001	71.662	0.000	0.000	0.000	0.000	0.000	0.000
833	A	890	PHE	0	0.033	0.021	72.597	0.000	0.000	0.000	0.000	0.000	0.000
834	A	891	GLN	0	0.002	0.004	70.009	0.000	0.000	0.000	0.000	0.000	0.000
835	A	892	PHE	0	0.021	-0.003	74.474	0.000	0.000	0.000	0.000	0.000	0.000
836	A	893	THR	0	-0.076	-0.043	75.268	0.000	0.000	0.000	0.000	0.000	0.000
837	A	894	SER	0	0.003	-0.034	78.130	0.000	0.000	0.000	0.000	0.000	0.000
838	A	895	SER	0	-0.037	-0.019	81.747	0.000	0.000	0.000	0.000	0.000	0.000
839	A	896	LEU	0	0.041	-0.002	84.316	0.000	0.000	0.000	0.000	0.000	0.000
840	A	897	PHE	0	-0.041	-0.002	87.199	0.000	0.000	0.000	0.000	0.000	0.000
841	A	898	GLY	0	-0.009	-0.006	87.762	0.000	0.000	0.000	0.000	0.000	0.000
842	A	899	TYR	0	0.010	0.019	88.669	0.000	0.000	0.000	0.000	0.000	0.000
843	A	900	LYS	1	0.898	0.958	84.424	0.003	0.003	0.000	0.000	0.000	0.000
844	A	901	SER	0	-0.001	-0.044	82.123	0.000	0.000	0.000	0.000	0.000	0.000
845	A	902	ASP	-1	-0.743	-0.839	76.965	-0.005	-0.005	0.000	0.000	0.000	0.000
846	A	903	LYS	1	0.894	0.955	79.920	0.004	0.004	0.000	0.000	0.000	0.000
847	A	904	LEU	0	0.010	0.016	77.544	0.000	0.000	0.000	0.000	0.000	0.000
848	A	905	LYS	1	0.962	1.001	80.508	0.003	0.003	0.000	0.000	0.000	0.000
849	A	906	LEU	0	0.004	-0.008	79.566	0.000	0.000	0.000	0.000	0.000	0.000
850	A	907	SER	0	0.024	0.000	82.366	0.000	0.000	0.000	0.000	0.000	0.000
851	A	908	ASN	0	0.003	-0.014	84.661	0.000	0.000	0.000	0.000	0.000	0.000
852	A	909	ASP	-1	-0.917	-0.960	81.906	-0.006	-0.006	0.000	0.000	0.000	0.000
853	A	910	ALA	0	-0.099	-0.023	80.989	0.000	0.000	0.000	0.000	0.000	0.000
854	A	911	GLU	-1	-0.920	-0.982	79.941	-0.008	-0.008	0.000	0.000	0.000	0.000
855	A	912	GLY	0	0.020	0.010	78.445	0.000	0.000	0.000	0.000	0.000	0.000
856	A	913	ASP	-1	-0.878	-0.937	77.827	-0.011	-0.011	0.000	0.000	0.000	0.000
857	A	914	TYR	0	-0.060	-0.043	74.862	0.000	0.000	0.000	0.000	0.000	0.000
858	A	915	ILE	0	0.013	0.011	74.547	0.000	0.000	0.000	0.000	0.000	0.000
859	A	916	LEU	0	-0.008	-0.014	76.656	0.000	0.000	0.000	0.000	0.000	0.000
860	A	917	SER	0	0.020	0.018	75.219	0.000	0.000	0.000	0.000	0.000	0.000
861	A	918	VAL	0	0.014	0.009	77.300	0.000	0.000	0.000	0.000	0.000	0.000
862	A	919	ARG	1	0.903	0.968	72.014	0.010	0.010	0.000	0.000	0.000	0.000
863	A	920	ASN	0	0.078	0.052	78.218	0.001	0.001	0.000	0.000	0.000	0.000
864	A	921	THR	0	-0.045	-0.020	78.705	0.000	0.000	0.000	0.000	0.000	0.000
865	A	922	GLY	0	0.000	-0.003	81.791	0.000	0.000	0.000	0.000	0.000	0.000
866	A	923	DLY	1	0.867	0.924	83.920	0.004	0.004	0.000	0.000	0.000	0.000
867	A	924	GLU	-1	-0.803	-0.894	87.775	-0.006	-0.006	0.000	0.000	0.000	0.000
868	A	925	PRO	0	-0.063	-0.026	89.941	0.000	0.000	0.000	0.000	0.000	0.000
869	A	926	GLU	-1	-0.910	-0.953	92.211	-0.004	-0.004	0.000	0.000	0.000	0.000
870	A	927	THR	0	0.010	-0.008	94.993	0.000	0.000	0.000	0.000	0.000	0.000
871	A	928	LEU	0	-0.012	-0.003	95.166	0.000	0.000	0.000	0.000	0.000	0.000
872	A	929	GLU	-1	-0.899	-0.938	93.780	-0.004	-0.004	0.000	0.000	0.000	0.000
873	A	930	GLN	0	-0.013	-0.026	92.355	0.000	0.000	0.000	0.000	0.000	0.000
874	A	931	LEU	0	-0.014	0.000	85.093	0.000	0.000	0.000	0.000	0.000	0.000
875	A	932	THR	0	0.000	0.005	86.958	0.000	0.000	0.000	0.000	0.000	0.000
876	A	933	LEU	0	-0.023	-0.006	82.320	0.000	0.000	0.000	0.000	0.000	0.000
877	A	934	VAL	0	-0.012	-0.015	81.806	0.000	0.000	0.000	0.000	0.000	0.000
878	A	935	GLU	-1	-0.909	-0.959	84.227	-0.004	-0.004	0.000	0.000	0.000	0.000
879	A	936	SER	0	0.027	0.023	85.290	0.000	0.000	0.000	0.000	0.000	0.000
880	A	937	LYS	1	0.850	0.915	83.795	0.004	0.004	0.000	0.000	0.000	0.000
881	A	938	ASP	-1	-0.932	-0.966	86.560	-0.003	-0.003	0.000	0.000	0.000	0.000
882	A	939	ASN	0	0.015	-0.011	90.283	0.000	0.000	0.000	0.000	0.000	0.000
883	A	940	GLN	0	-0.055	0.001	91.020	0.000	0.000	0.000	0.000	0.000	0.000
884	A	941	PRO	0	0.042	0.015	91.011	0.000	0.000	0.000	0.000	0.000	0.000
885	A	942	LEU	0	0.003	0.005	85.376	0.000	0.000	0.000	0.000	0.000	0.000
886	A	943	SER	0	0.019	0.019	85.884	0.000	0.000	0.000	0.000	0.000	0.000
887	A	944	ASP	-1	-0.893	-0.970	87.491	-0.007	-0.007	0.000	0.000	0.000	0.000
888	A	945	LYS	1	0.867	0.950	84.131	0.007	0.007	0.000	0.000	0.000	0.000
889	A	946	LEU	0	-0.042	0.008	81.246	0.000	0.000	0.000	0.000	0.000	0.000
890	A	947	LYS	1	0.946	0.985	82.254	0.011	0.011	0.000	0.000	0.000	0.000
891	A	948	PHE	0	0.014	0.000	79.578	0.000	0.000	0.000	0.000	0.000	0.000
892	A	949	THR	0	-0.016	-0.009	80.299	0.000	0.000	0.000	0.000	0.000	0.000
893	A	950	LEU	0	-0.034	0.012	80.310	0.000	0.000	0.000	0.000	0.000	0.000
894	A	951	GLU	-1	-0.866	-0.944	75.034	-0.013	-0.013	0.000	0.000	0.000	0.000
895	A	952	ASN	0	-0.045	-0.035	77.468	0.000	0.000	0.000	0.000	0.000	0.000
896	A	953	ASP	-1	-0.896	-0.942	80.748	-0.010	-0.010	0.000	0.000	0.000	0.000
897	A	954	HIS	0	-0.063	-0.057	83.507	0.000	0.000	0.000	0.000	0.000	0.000
898	A	955	VAL	0	-0.023	-0.007	82.845	0.000	0.000	0.000	0.000	0.000	0.000
899	A	956	ASP	-1	-0.789	-0.864	84.502	-0.009	-0.009	0.000	0.000	0.000	0.000
900	A	957	ALA	0	-0.051	-0.033	85.176	0.000	0.000	0.000	0.000	0.000	0.000
901	A	958	GLY	0	-0.002	0.004	87.205	0.000	0.000	0.000	0.000	0.000	0.000
902	A	959	ALA	0	-0.026	-0.019	89.113	0.000	0.000	0.000	0.000	0.000	0.000
903	A	960	LEU	0	-0.019	0.001	91.294	0.000	0.000	0.000	0.000	0.000	0.000
904	A	961	ARG	1	0.860	0.919	88.042	0.009	0.009	0.000	0.000	0.000	0.000
905	A	962	TYR	0	-0.011	-0.033	87.961	0.000	0.000	0.000	0.000	0.000	0.000
906	A	963	LYS	1	0.894	0.937	87.689	0.009	0.009	0.000	0.000	0.000	0.000
907	A	964	LEU	0	-0.006	0.006	83.740	0.000	0.000	0.000	0.000	0.000	0.000
908	A	965	VAL	0	-0.019	-0.005	87.619	0.000	0.000	0.000	0.000	0.000	0.000
909	A	966	LYS	1	0.883	0.945	88.714	0.007	0.007	0.000	0.000	0.000	0.000
910	A	967	ASN	0	-0.016	-0.013	90.890	0.000	0.000	0.000	0.000	0.000	0.000
911	A	968	ASP	-1	-0.903	-0.952	93.381	-0.005	-0.005	0.000	0.000	0.000	0.000
912	A	969	GLY	0	0.012	0.014	92.280	0.000	0.000	0.000	0.000	0.000	0.000
913	A	970	GLU	-1	-0.798	-0.895	88.970	-0.005	-0.005	0.000	0.000	0.000	0.000
914	A	971	PHE	0	-0.016	-0.013	85.648	0.000	0.000	0.000	0.000	0.000	0.000
915	A	972	ARG	1	0.843	0.900	86.971	0.005	0.005	0.000	0.000	0.000	0.000
916	A	973	LEU	0	-0.008	-0.006	84.501	0.000	0.000	0.000	0.000	0.000	0.000
917	A	974	HIS	0	0.044	0.014	88.649	0.000	0.000	0.000	0.000	0.000	0.000
918	A	975	ASN	0	0.069	0.037	91.722	-0.001	-0.001	0.000	0.000	0.000	0.000
919	A	976	PRO	0	-0.036	0.000	93.100	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:26:GLY)