FMO DATABASE

FMODB ID: N98MQ

Calculation Name: 3SZE-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 3SZE

Chain ID: A

ChEMBL ID:

UniProt ID: Q7BSW5

Base Structure: X-ray

Registration Date: 2023-06-22

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

DOI:

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	943
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-24393256.575669
FMO2-HF: Nuclear repulsion	24034817.034968
FMO2-HF: Total energy	-358439.540701
FMO2-MP2: Total energy	-359499.73931

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:56:SER)

Summations of interaction energy for fragment #1(A:56:SER)

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.
-26.455	-28.427	47.346	-21.041	-24.333	-0.086

Interaction energy analysis for fragmet #1(A:56:SER)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.005 / q_NPA : 0.003

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	58	MET	0	-0.007	0.011	3.064	0.969	2.999	0.050	-0.821	-1.259	0.003
4	A	59	ASP	-1	-0.803	-0.885	5.469	-0.762	-0.762	0.000	0.000	0.000	0.000
5	A	60	ILE	0	-0.022	-0.005	8.799	0.290	0.290	0.000	0.000	0.000	0.000
6	A	61	SER	0	-0.050	-0.045	11.075	0.190	0.190	0.000	0.000	0.000	0.000
7	A	62	ASN	0	0.011	-0.013	13.832	0.102	0.102	0.000	0.000	0.000	0.000
8	A	63	PHE	0	0.041	0.042	11.306	0.090	0.090	0.000	0.000	0.000	0.000
9	A	64	TYR	0	0.020	-0.005	12.336	-0.114	-0.114	0.000	0.000	0.000	0.000
10	A	65	ILE	0	-0.002	-0.013	6.739	0.030	0.030	0.000	0.000	0.000	0.000
11	A	66	ARG	1	0.959	0.974	8.520	-0.107	-0.107	0.000	0.000	0.000	0.000
12	A	67	ASP	-1	-0.778	-0.882	11.000	0.244	0.244	0.000	0.000	0.000	0.000
13	A	68	TYR	0	0.006	-0.019	5.796	0.055	0.055	0.000	0.000	0.000	0.000
14	A	69	MET	0	-0.027	-0.007	7.009	0.452	0.452	0.000	0.000	0.000	0.000
15	A	70	ASP	-1	-0.773	-0.870	8.678	0.791	0.791	0.000	0.000	0.000	0.000
16	A	71	PHE	0	-0.029	-0.012	9.368	-0.022	-0.022	0.000	0.000	0.000	0.000
17	A	72	ALA	0	-0.027	-0.011	7.997	-0.005	-0.005	0.000	0.000	0.000	0.000
18	A	73	GLN	0	-0.063	-0.039	8.937	-0.481	-0.481	0.000	0.000	0.000	0.000
19	A	74	ASN	0	-0.051	-0.014	12.463	-0.070	-0.070	0.000	0.000	0.000	0.000
20	A	75	LYS	1	0.901	0.957	13.616	-1.126	-1.126	0.000	0.000	0.000	0.000
21	A	76	GLY	0	0.024	-0.002	15.943	-0.006	-0.006	0.000	0.000	0.000	0.000
22	A	77	ILE	0	0.014	0.001	16.789	-0.014	-0.014	0.000	0.000	0.000	0.000
23	A	78	PHE	0	-0.042	-0.008	13.440	-0.034	-0.034	0.000	0.000	0.000	0.000
24	A	79	GLN	0	0.035	0.021	16.777	0.102	0.102	0.000	0.000	0.000	0.000
25	A	80	ALA	0	0.035	0.013	19.403	-0.023	-0.023	0.000	0.000	0.000	0.000
26	A	81	GLY	0	-0.011	-0.008	20.182	-0.039	-0.039	0.000	0.000	0.000	0.000
27	A	82	ALA	0	-0.021	-0.004	20.845	-0.042	-0.042	0.000	0.000	0.000	0.000
28	A	83	THR	0	0.011	-0.006	21.442	0.011	0.011	0.000	0.000	0.000	0.000
29	A	84	ASN	0	-0.030	-0.024	23.459	-0.008	-0.008	0.000	0.000	0.000	0.000
30	A	85	ILE	0	0.029	0.035	17.409	-0.008	-0.008	0.000	0.000	0.000	0.000
31	A	86	GLU	-1	-0.894	-0.969	19.864	0.018	0.018	0.000	0.000	0.000	0.000
32	A	87	ILE	0	-0.030	-0.011	13.224	0.022	0.022	0.000	0.000	0.000	0.000
33	A	88	VAL	0	0.002	0.008	17.301	-0.040	-0.040	0.000	0.000	0.000	0.000
34	A	89	LYS	1	0.825	0.912	16.902	0.198	0.198	0.000	0.000	0.000	0.000
35	A	90	LYS	1	0.755	0.848	13.747	0.447	0.447	0.000	0.000	0.000	0.000
36	A	91	ASP	-1	-0.815	-0.865	18.681	-0.185	-0.185	0.000	0.000	0.000	0.000
37	A	92	GLY	0	-0.017	-0.002	21.298	0.012	0.012	0.000	0.000	0.000	0.000
38	A	93	SER	0	-0.099	-0.062	21.768	0.022	0.022	0.000	0.000	0.000	0.000
39	A	94	THR	0	0.029	0.004	20.623	0.001	0.001	0.000	0.000	0.000	0.000
40	A	95	LEU	0	-0.079	-0.031	15.051	-0.024	-0.024	0.000	0.000	0.000	0.000
41	A	96	LYS	1	0.931	0.976	18.516	0.026	0.026	0.000	0.000	0.000	0.000
42	A	97	LEU	0	0.011	-0.002	15.125	-0.020	-0.020	0.000	0.000	0.000	0.000
43	A	98	PRO	0	-0.033	-0.022	16.892	-0.014	-0.014	0.000	0.000	0.000	0.000
44	A	99	GLU	-1	-0.958	-0.973	19.820	0.106	0.106	0.000	0.000	0.000	0.000
45	A	100	VAL	0	-0.035	-0.024	19.360	-0.004	-0.004	0.000	0.000	0.000	0.000
46	A	101	PRO	0	-0.041	-0.006	21.198	0.010	0.010	0.000	0.000	0.000	0.000
47	A	102	PHE	0	0.034	0.019	13.071	0.001	0.001	0.000	0.000	0.000	0.000
48	A	103	PRO	0	-0.024	0.000	15.003	-0.017	-0.017	0.000	0.000	0.000	0.000
49	A	104	ASP	-1	-0.776	-0.888	16.849	0.730	0.730	0.000	0.000	0.000	0.000
50	A	105	PHE	0	-0.047	-0.033	11.891	0.040	0.040	0.000	0.000	0.000	0.000
51	A	106	SER	0	-0.053	-0.025	14.123	0.141	0.141	0.000	0.000	0.000	0.000
52	A	107	PRO	0	-0.002	0.004	16.012	0.020	0.020	0.000	0.000	0.000	0.000
53	A	108	VAL	0	-0.024	0.001	9.658	-0.020	-0.020	0.000	0.000	0.000	0.000
54	A	109	ALA	0	0.014	0.021	12.841	-0.010	-0.010	0.000	0.000	0.000	0.000
55	A	110	ASN	0	0.010	-0.012	11.262	0.356	0.356	0.000	0.000	0.000	0.000
56	A	111	LYN	0	0.020	0.029	9.566	0.213	0.213	0.000	0.000	0.000	0.000
57	A	112	GLY	0	0.001	-0.012	7.479	0.556	0.556	0.000	0.000	0.000	0.000
58	A	113	SER	0	-0.052	-0.033	8.533	-0.082	-0.082	0.000	0.000	0.000	0.000
59	A	114	THR	0	0.024	0.036	9.661	-0.338	-0.338	0.000	0.000	0.000	0.000
60	A	115	THR	0	-0.019	-0.010	12.721	0.205	0.205	0.000	0.000	0.000	0.000
61	A	116	SER	0	0.023	0.022	14.824	-0.133	-0.133	0.000	0.000	0.000	0.000
62	A	117	ILE	0	-0.014	-0.010	18.425	0.009	0.009	0.000	0.000	0.000	0.000
63	A	118	GLY	0	0.048	0.028	21.018	-0.051	-0.051	0.000	0.000	0.000	0.000
64	A	119	GLY	0	0.022	0.002	23.756	-0.015	-0.015	0.000	0.000	0.000	0.000
65	A	120	ALA	0	0.015	0.022	24.450	0.031	0.031	0.000	0.000	0.000	0.000
66	A	121	TYR	0	0.018	0.007	23.125	-0.022	-0.022	0.000	0.000	0.000	0.000
67	A	122	SER	0	-0.038	-0.032	17.655	0.017	0.017	0.000	0.000	0.000	0.000
68	A	123	ILE	0	-0.009	0.007	15.923	-0.067	-0.067	0.000	0.000	0.000	0.000
69	A	124	THR	0	0.038	-0.019	13.181	0.082	0.082	0.000	0.000	0.000	0.000
70	A	125	ALA	0	-0.012	0.009	13.280	-0.074	-0.074	0.000	0.000	0.000	0.000
71	A	126	THR	0	-0.022	-0.024	15.092	0.015	0.015	0.000	0.000	0.000	0.000
72	A	127	HIS	1	0.799	0.850	12.215	0.001	0.001	0.000	0.000	0.000	0.000
73	A	128	ASN	0	-0.030	0.002	11.719	-0.102	-0.102	0.000	0.000	0.000	0.000
74	A	129	THR	0	-0.063	-0.019	15.059	-0.028	-0.028	0.000	0.000	0.000	0.000
75	A	130	LYS	1	0.967	0.978	18.171	-0.142	-0.142	0.000	0.000	0.000	0.000
76	A	131	ASN	0	0.031	-0.013	20.668	0.031	0.031	0.000	0.000	0.000	0.000
77	A	132	HIS	0	0.028	0.060	11.617	0.055	0.055	0.000	0.000	0.000	0.000
78	A	133	HIS	1	0.882	0.915	11.826	-0.810	-0.810	0.000	0.000	0.000	0.000
79	A	134	SER	0	-0.041	-0.011	12.235	0.055	0.055	0.000	0.000	0.000	0.000
80	A	135	VAL	0	0.030	0.024	14.184	0.045	0.045	0.000	0.000	0.000	0.000
81	A	136	ALA	0	0.025	0.005	16.723	-0.024	-0.024	0.000	0.000	0.000	0.000
82	A	137	THR	0	-0.051	-0.035	18.588	-0.062	-0.062	0.000	0.000	0.000	0.000
83	A	138	GLN	0	0.021	0.038	16.210	0.119	0.119	0.000	0.000	0.000	0.000
84	A	139	ASN	0	0.009	-0.003	15.937	-0.061	-0.061	0.000	0.000	0.000	0.000
85	A	140	TRP	0	0.034	0.015	15.738	0.115	0.115	0.000	0.000	0.000	0.000
86	A	141	GLY	0	0.014	0.023	17.183	-0.087	-0.087	0.000	0.000	0.000	0.000
87	A	142	ASN	0	-0.044	-0.047	18.773	0.060	0.060	0.000	0.000	0.000	0.000
88	A	143	SER	0	-0.011	-0.006	20.998	-0.068	-0.068	0.000	0.000	0.000	0.000
89	A	144	THR	0	-0.048	-0.031	20.320	0.076	0.076	0.000	0.000	0.000	0.000
90	A	145	TYR	0	-0.039	-0.011	20.398	-0.055	-0.055	0.000	0.000	0.000	0.000
91	A	146	LYS	1	0.920	0.964	21.170	-0.362	-0.362	0.000	0.000	0.000	0.000
92	A	147	GLN	0	0.044	0.070	20.700	0.011	0.011	0.000	0.000	0.000	0.000
93	A	148	THR	0	-0.043	-0.030	23.226	-0.024	-0.024	0.000	0.000	0.000	0.000
94	A	149	ASP	-1	-0.911	-0.910	25.478	0.179	0.179	0.000	0.000	0.000	0.000
95	A	150	TRP	0	0.021	0.006	18.350	0.023	0.023	0.000	0.000	0.000	0.000
96	A	151	ASN	0	-0.043	-0.012	23.937	-0.039	-0.039	0.000	0.000	0.000	0.000
97	A	152	THR	0	0.002	0.002	21.878	0.019	0.019	0.000	0.000	0.000	0.000
98	A	153	SER	0	0.002	0.020	22.747	-0.013	-0.013	0.000	0.000	0.000	0.000
99	A	154	HIS	0	-0.001	0.024	22.398	0.012	0.012	0.000	0.000	0.000	0.000
100	A	155	PRO	0	-0.005	-0.013	19.490	0.012	0.012	0.000	0.000	0.000	0.000
101	A	156	ASP	-1	-0.722	-0.866	15.454	0.093	0.093	0.000	0.000	0.000	0.000
102	A	157	PHE	0	0.017	0.043	17.410	0.051	0.051	0.000	0.000	0.000	0.000
103	A	158	ALA	0	-0.004	0.002	18.147	-0.032	-0.032	0.000	0.000	0.000	0.000
104	A	159	VAL	0	0.019	0.012	18.916	0.053	0.053	0.000	0.000	0.000	0.000
105	A	160	SER	0	-0.059	-0.086	19.823	-0.030	-0.030	0.000	0.000	0.000	0.000
106	A	161	ARG	1	0.792	0.891	21.817	-0.249	-0.249	0.000	0.000	0.000	0.000
107	A	162	LEU	0	-0.035	-0.026	20.355	-0.001	-0.001	0.000	0.000	0.000	0.000
108	A	163	ASP	-1	-0.848	-0.934	24.353	0.324	0.324	0.000	0.000	0.000	0.000
109	A	164	LYS	1	0.869	0.935	25.878	-0.313	-0.313	0.000	0.000	0.000	0.000
110	A	165	PHE	0	-0.044	-0.015	25.552	0.027	0.027	0.000	0.000	0.000	0.000
111	A	166	VAL	0	0.009	-0.003	20.483	0.001	0.001	0.000	0.000	0.000	0.000
112	A	167	VAL	0	-0.011	-0.003	23.848	-0.011	-0.011	0.000	0.000	0.000	0.000
113	A	168	GLU	-1	-0.726	-0.856	20.100	0.523	0.523	0.000	0.000	0.000	0.000
114	A	169	THR	0	-0.018	-0.006	18.679	0.011	0.011	0.000	0.000	0.000	0.000
115	A	170	ARG	1	0.870	0.951	21.647	-0.401	-0.401	0.000	0.000	0.000	0.000
116	A	171	GLY	0	-0.031	-0.014	19.727	-0.024	-0.024	0.000	0.000	0.000	0.000
117	A	172	ALA	0	-0.020	-0.012	18.266	-0.025	-0.025	0.000	0.000	0.000	0.000
118	A	173	THR	0	-0.023	-0.022	20.191	-0.009	-0.009	0.000	0.000	0.000	0.000
119	A	174	GLU	-1	-0.887	-0.941	22.995	0.206	0.206	0.000	0.000	0.000	0.000
120	A	175	GLY	0	0.055	0.012	21.439	0.039	0.039	0.000	0.000	0.000	0.000
121	A	176	ALA	0	-0.048	-0.034	21.177	-0.019	-0.019	0.000	0.000	0.000	0.000
122	A	177	ASP	-1	-0.820	-0.880	22.994	0.097	0.097	0.000	0.000	0.000	0.000
123	A	178	ILE	0	-0.032	-0.042	21.697	-0.018	-0.018	0.000	0.000	0.000	0.000
124	A	179	SER	0	-0.117	-0.077	24.455	-0.022	-0.022	0.000	0.000	0.000	0.000
125	A	180	LEU	0	-0.003	0.016	26.191	-0.012	-0.012	0.000	0.000	0.000	0.000
126	A	181	SER	0	0.037	0.011	26.544	-0.005	-0.005	0.000	0.000	0.000	0.000
127	A	182	LYN	0	0.083	0.032	21.950	0.015	0.015	0.000	0.000	0.000	0.000
128	A	183	GLN	0	0.011	0.001	25.747	0.012	0.012	0.000	0.000	0.000	0.000
129	A	184	GLN	0	0.045	0.024	28.342	0.007	0.007	0.000	0.000	0.000	0.000
130	A	185	ALA	0	0.029	0.025	23.315	0.013	0.013	0.000	0.000	0.000	0.000
131	A	186	LEU	0	-0.018	0.000	23.331	0.016	0.016	0.000	0.000	0.000	0.000
132	A	187	GLU	-1	-0.962	-0.998	25.086	0.078	0.078	0.000	0.000	0.000	0.000
133	A	188	ARG	1	0.883	0.959	25.988	-0.095	-0.095	0.000	0.000	0.000	0.000
134	A	189	TYR	0	0.038	-0.003	21.426	0.017	0.017	0.000	0.000	0.000	0.000
135	A	190	GLY	0	-0.044	0.002	21.856	0.009	0.009	0.000	0.000	0.000	0.000
136	A	191	VAL	0	-0.016	-0.005	19.451	0.014	0.014	0.000	0.000	0.000	0.000
137	A	192	ASN	0	0.026	0.005	22.444	-0.036	-0.036	0.000	0.000	0.000	0.000
138	A	193	TYR	0	-0.068	-0.099	17.011	0.025	0.025	0.000	0.000	0.000	0.000
139	A	194	LYS	1	0.810	0.897	19.288	0.173	0.173	0.000	0.000	0.000	0.000
140	A	195	GLY	0	0.005	0.009	23.659	-0.010	-0.010	0.000	0.000	0.000	0.000
141	A	196	GLU	-1	-0.881	-0.935	24.468	-0.055	-0.055	0.000	0.000	0.000	0.000
142	A	197	LYS	1	0.919	0.991	24.010	-0.039	-0.039	0.000	0.000	0.000	0.000
143	A	198	LYS	1	0.914	0.961	19.823	0.117	0.117	0.000	0.000	0.000	0.000
144	A	199	LEU	0	0.050	0.019	19.222	0.031	0.031	0.000	0.000	0.000	0.000
145	A	200	ILE	0	-0.038	-0.015	15.139	-0.033	-0.033	0.000	0.000	0.000	0.000
146	A	201	ALA	0	-0.012	0.007	13.630	0.039	0.039	0.000	0.000	0.000	0.000
147	A	202	PHE	0	0.031	0.011	12.265	-0.048	-0.048	0.000	0.000	0.000	0.000
148	A	203	ARG	1	0.883	0.947	4.094	-3.832	-3.689	-0.001	-0.041	-0.101	0.000
149	A	204	ALA	0	0.046	0.007	6.941	0.039	0.039	0.000	0.000	0.000	0.000
150	A	205	GLY	0	-0.007	-0.005	4.824	-1.248	-1.248	0.000	0.000	0.000	0.000
151	A	206	SER	0	-0.001	-0.017	2.827	-0.027	1.374	0.416	-0.777	-1.040	0.008
152	A	207	GLY	0	0.033	0.070	2.363	-3.704	-3.104	1.334	-0.597	-1.337	0.006
153	A	208	VAL	0	-0.017	-0.023	2.589	2.110	3.211	2.216	-1.149	-2.168	-0.011
154	A	209	VAL	0	0.041	0.044	2.450	-6.047	-5.015	2.918	-1.678	-2.271	-0.012
155	A	210	SER	0	-0.076	-0.033	3.423	1.401	1.415	0.012	0.241	-0.267	0.001
156	A	211	VAL	0	0.044	0.028	5.295	-1.068	-1.068	0.000	0.000	0.000	0.000
157	A	212	LYS	1	0.935	0.963	7.997	1.949	1.949	0.000	0.000	0.000	0.000
158	A	213	LYS	1	0.877	0.929	10.459	0.645	0.645	0.000	0.000	0.000	0.000
159	A	214	ASN	0	0.002	-0.015	13.805	0.054	0.054	0.000	0.000	0.000	0.000
160	A	215	GLY	0	-0.018	-0.004	14.540	0.082	0.082	0.000	0.000	0.000	0.000
161	A	216	ARG	1	0.926	0.955	14.437	0.523	0.523	0.000	0.000	0.000	0.000
162	A	217	ILE	0	0.031	0.022	9.542	-0.058	-0.058	0.000	0.000	0.000	0.000
163	A	218	THR	0	-0.034	-0.011	10.761	0.285	0.285	0.000	0.000	0.000	0.000
164	A	219	PRO	0	-0.012	-0.003	8.211	-0.368	-0.368	0.000	0.000	0.000	0.000
165	A	220	PHE	0	0.026	-0.001	7.356	0.396	0.396	0.000	0.000	0.000	0.000
166	A	221	ASN	0	0.017	-0.011	7.650	-0.025	-0.025	0.000	0.000	0.000	0.000
167	A	222	GLU	-1	-0.929	-0.953	9.418	0.131	0.131	0.000	0.000	0.000	0.000
168	A	223	VAL	0	-0.057	-0.025	6.162	0.215	0.215	0.000	0.000	0.000	0.000
169	A	224	SER	0	0.015	0.008	5.537	0.242	0.242	0.000	0.000	0.000	0.000
170	A	225	TYR	0	-0.027	-0.044	6.245	-0.752	-0.752	0.000	0.000	0.000	0.000
171	A	226	LYS	1	0.963	0.991	7.169	-1.704	-1.704	0.000	0.000	0.000	0.000
172	A	227	PRO	0	0.055	0.023	7.895	0.630	0.630	0.000	0.000	0.000	0.000
173	A	228	GLU	-1	-0.862	-0.928	9.744	1.506	1.506	0.000	0.000	0.000	0.000
174	A	229	MET	0	-0.019	0.004	5.139	-0.384	-0.384	0.000	0.000	0.000	0.000
175	A	230	LEU	0	-0.034	0.013	5.137	1.980	2.083	-0.001	-0.001	-0.101	0.000
176	A	231	ASN	0	-0.002	-0.018	1.988	-10.546	-10.445	7.788	-3.507	-4.382	0.008
177	A	232	GLY	0	0.019	-0.009	5.273	1.174	1.276	-0.001	-0.004	-0.097	0.000
178	A	233	SER	0	-0.013	0.001	6.226	-0.719	-0.719	0.000	0.000	0.000	0.000
179	A	234	PHE	0	0.011	0.015	8.382	0.173	0.173	0.000	0.000	0.000	0.000
180	A	235	VAL	0	-0.026	-0.015	8.632	-0.164	-0.164	0.000	0.000	0.000	0.000
181	A	236	HIS	0	0.004	-0.002	11.762	0.113	0.113	0.000	0.000	0.000	0.000
182	A	237	ILE	0	-0.017	-0.005	13.946	-0.055	-0.055	0.000	0.000	0.000	0.000
183	A	238	ASP	-1	-0.822	-0.882	15.705	-0.354	-0.354	0.000	0.000	0.000	0.000
184	A	239	ASP	-1	-0.912	-0.964	17.266	-0.118	-0.118	0.000	0.000	0.000	0.000
185	A	240	TRP	0	-0.010	-0.015	18.253	0.019	0.019	0.000	0.000	0.000	0.000
186	A	241	SER	0	-0.025	-0.033	20.653	0.019	0.019	0.000	0.000	0.000	0.000
187	A	242	GLY	0	0.028	0.033	21.946	0.006	0.006	0.000	0.000	0.000	0.000
188	A	243	TRP	0	-0.034	-0.036	20.264	0.018	0.018	0.000	0.000	0.000	0.000
189	A	244	LEU	0	-0.040	-0.020	16.475	0.023	0.023	0.000	0.000	0.000	0.000
190	A	245	ILE	0	0.015	0.022	15.302	-0.021	-0.021	0.000	0.000	0.000	0.000
191	A	246	LEU	0	-0.034	-0.006	13.953	-0.019	-0.019	0.000	0.000	0.000	0.000
192	A	247	THR	0	0.031	-0.003	9.729	0.074	0.074	0.000	0.000	0.000	0.000
193	A	248	ASN	0	0.016	0.010	11.001	-0.286	-0.286	0.000	0.000	0.000	0.000
194	A	249	ASN	0	0.003	-0.022	5.635	0.258	0.258	0.000	0.000	0.000	0.000
195	A	250	GLN	0	-0.024	-0.008	8.781	-0.365	-0.365	0.000	0.000	0.000	0.000
196	A	251	PHE	0	-0.058	-0.026	10.930	0.048	0.048	0.000	0.000	0.000	0.000
197	A	252	ASP	-1	-0.786	-0.856	13.575	-0.192	-0.192	0.000	0.000	0.000	0.000
198	A	253	GLU	-1	-0.831	-0.892	14.294	-0.320	-0.320	0.000	0.000	0.000	0.000
199	A	254	PHE	0	-0.009	0.007	9.884	-0.106	-0.106	0.000	0.000	0.000	0.000
200	A	255	ASN	0	0.011	0.007	8.998	0.149	0.149	0.000	0.000	0.000	0.000
201	A	256	ASN	0	-0.013	-0.027	2.527	-4.653	-3.572	2.116	-1.599	-1.597	-0.014
202	A	257	ILE	0	-0.016	0.003	4.059	0.170	1.109	-0.001	-0.520	-0.418	-0.001
203	A	258	ALA	0	0.025	0.037	1.708	-5.815	-16.260	19.509	-6.137	-2.928	-0.041
204	A	259	SER	0	-0.023	-0.033	2.023	-5.390	-6.849	7.681	-2.693	-3.529	-0.013
205	A	260	GLN	0	0.024	-0.006	3.365	2.174	2.176	0.001	0.172	-0.176	0.000
206	A	261	GLY	0	0.015	0.005	5.844	0.073	0.073	0.000	0.000	0.000	0.000
207	A	262	ASP	-1	-0.772	-0.903	2.681	3.096	4.379	3.309	-1.930	-2.662	-0.020
208	A	263	ALA	0	-0.054	-0.027	5.453	0.043	0.043	0.000	0.000	0.000	0.000
209	A	264	GLY	0	0.003	-0.005	9.258	0.211	0.211	0.000	0.000	0.000	0.000
210	A	265	SER	0	-0.017	0.003	7.412	0.031	0.031	0.000	0.000	0.000	0.000
211	A	266	ALA	0	0.036	0.013	9.424	-0.256	-0.256	0.000	0.000	0.000	0.000
212	A	267	LEU	0	-0.031	-0.010	10.913	0.144	0.144	0.000	0.000	0.000	0.000
213	A	268	PHE	0	0.011	0.000	12.475	-0.074	-0.074	0.000	0.000	0.000	0.000
214	A	269	VAL	0	0.037	0.012	15.701	-0.036	-0.036	0.000	0.000	0.000	0.000
215	A	270	TYR	0	0.061	0.020	18.524	0.008	0.008	0.000	0.000	0.000	0.000
216	A	271	ASP	-1	-0.830	-0.916	21.574	0.134	0.134	0.000	0.000	0.000	0.000
217	A	272	ASN	0	0.027	-0.003	25.045	0.013	0.013	0.000	0.000	0.000	0.000
218	A	273	GLN	0	-0.062	-0.036	27.753	0.003	0.003	0.000	0.000	0.000	0.000
219	A	274	LYS	1	0.876	0.924	27.293	-0.190	-0.190	0.000	0.000	0.000	0.000
220	A	275	LYS	1	0.862	0.957	26.900	-0.157	-0.157	0.000	0.000	0.000	0.000
221	A	276	LYS	1	0.942	0.982	23.842	-0.296	-0.296	0.000	0.000	0.000	0.000
222	A	277	TRP	0	-0.014	0.005	17.362	0.000	0.000	0.000	0.000	0.000	0.000
223	A	278	VAL	0	-0.038	-0.006	20.347	0.013	0.013	0.000	0.000	0.000	0.000
224	A	279	VAL	0	0.000	-0.001	16.056	0.021	0.021	0.000	0.000	0.000	0.000
225	A	280	ALA	0	-0.001	0.000	16.640	-0.056	-0.056	0.000	0.000	0.000	0.000
226	A	281	GLY	0	0.022	-0.008	16.116	-0.068	-0.068	0.000	0.000	0.000	0.000
227	A	282	THR	0	-0.038	-0.004	13.031	0.073	0.073	0.000	0.000	0.000	0.000
228	A	283	VAL	0	-0.028	0.009	8.098	-0.146	-0.146	0.000	0.000	0.000	0.000
229	A	284	TRP	0	0.011	0.009	11.332	0.008	0.008	0.000	0.000	0.000	0.000
230	A	285	GLY	0	-0.014	-0.033	10.634	-0.010	-0.010	0.000	0.000	0.000	0.000
231	A	286	ILE	0	-0.039	-0.005	5.956	0.012	0.012	0.000	0.000	0.000	0.000
232	A	287	TYR	0	0.004	0.017	10.216	0.071	0.071	0.000	0.000	0.000	0.000
233	A	288	ASN	0	0.008	-0.003	10.301	-0.244	-0.244	0.000	0.000	0.000	0.000
234	A	289	TYR	0	-0.030	-0.034	13.382	0.123	0.123	0.000	0.000	0.000	0.000
235	A	290	ALA	0	0.031	0.016	16.378	-0.057	-0.057	0.000	0.000	0.000	0.000
236	A	291	ASN	0	-0.037	-0.047	18.438	0.024	0.024	0.000	0.000	0.000	0.000
237	A	292	GLY	0	0.055	0.032	14.329	0.016	0.016	0.000	0.000	0.000	0.000
238	A	293	LYS	1	0.894	0.963	13.017	0.386	0.386	0.000	0.000	0.000	0.000
239	A	294	ASN	0	-0.016	-0.030	8.153	-0.085	-0.085	0.000	0.000	0.000	0.000
240	A	295	HIS	0	0.024	0.018	11.009	0.089	0.089	0.000	0.000	0.000	0.000
241	A	296	ALA	0	0.005	0.020	7.527	-0.159	-0.159	0.000	0.000	0.000	0.000
242	A	297	ALA	0	0.017	0.002	9.512	0.129	0.129	0.000	0.000	0.000	0.000
243	A	298	TYR	0	0.000	-0.005	8.798	0.160	0.160	0.000	0.000	0.000	0.000
244	A	299	SER	0	-0.017	-0.013	14.262	-0.040	-0.040	0.000	0.000	0.000	0.000
245	A	300	LYS	1	0.917	0.969	17.371	0.038	0.038	0.000	0.000	0.000	0.000
246	A	301	TRP	0	0.020	0.018	19.284	0.018	0.018	0.000	0.000	0.000	0.000
247	A	302	ASN	0	0.027	0.010	20.797	-0.031	-0.031	0.000	0.000	0.000	0.000
248	A	303	GLN	0	0.043	0.016	23.953	0.022	0.022	0.000	0.000	0.000	0.000
249	A	304	THR	0	0.035	0.024	26.286	0.005	0.005	0.000	0.000	0.000	0.000
250	A	305	THR	0	-0.010	-0.025	24.021	-0.008	-0.008	0.000	0.000	0.000	0.000
251	A	306	ILE	0	0.034	0.019	22.125	0.010	0.010	0.000	0.000	0.000	0.000
252	A	307	ASP	-1	-0.865	-0.935	25.865	0.188	0.188	0.000	0.000	0.000	0.000
253	A	308	ASN	0	-0.034	-0.022	29.525	-0.007	-0.007	0.000	0.000	0.000	0.000
254	A	309	LEU	0	-0.057	-0.020	25.017	-0.007	-0.007	0.000	0.000	0.000	0.000
255	A	310	LYS	1	1.001	0.986	26.037	-0.276	-0.276	0.000	0.000	0.000	0.000
256	A	311	ASN	0	-0.010	0.015	29.728	-0.003	-0.003	0.000	0.000	0.000	0.000
257	A	312	LYS	1	0.898	0.975	30.049	-0.174	-0.174	0.000	0.000	0.000	0.000
258	A	313	TYR	0	-0.145	-0.141	29.487	-0.009	-0.009	0.000	0.000	0.000	0.000
259	A	314	SER	0	-0.022	-0.018	32.413	0.013	0.013	0.000	0.000	0.000	0.000
260	A	315	TYR	0	-0.087	-0.074	34.854	-0.009	-0.009	0.000	0.000	0.000	0.000
261	A	316	ASN	0	-0.018	-0.009	38.611	0.009	0.009	0.000	0.000	0.000	0.000
262	A	317	VAL	0	0.001	-0.003	40.784	-0.005	-0.005	0.000	0.000	0.000	0.000
263	A	318	ASP	-1	-0.837	-0.896	43.677	0.100	0.100	0.000	0.000	0.000	0.000
264	A	319	MET	0	-0.009	-0.017	45.036	-0.004	-0.004	0.000	0.000	0.000	0.000
265	A	320	SER	0	-0.041	-0.034	48.570	-0.003	-0.003	0.000	0.000	0.000	0.000
266	A	321	GLY	0	-0.040	-0.010	50.390	-0.003	-0.003	0.000	0.000	0.000	0.000
267	A	322	ALA	0	-0.029	-0.003	51.327	-0.003	-0.003	0.000	0.000	0.000	0.000
268	A	323	GLN	0	-0.049	-0.046	52.388	0.003	0.003	0.000	0.000	0.000	0.000
269	A	324	VAL	0	-0.009	0.010	51.420	0.003	0.003	0.000	0.000	0.000	0.000
270	A	325	ALA	0	0.057	0.041	46.968	-0.002	-0.002	0.000	0.000	0.000	0.000
271	A	326	THR	0	-0.037	-0.016	48.681	0.003	0.003	0.000	0.000	0.000	0.000
272	A	327	ILE	0	-0.010	-0.007	43.238	0.000	0.000	0.000	0.000	0.000	0.000
273	A	328	GLU	-1	-0.922	-0.974	47.356	0.088	0.088	0.000	0.000	0.000	0.000
274	A	329	ASN	0	-0.036	-0.033	46.558	0.002	0.002	0.000	0.000	0.000	0.000
275	A	330	GLY	0	0.000	-0.004	43.776	-0.003	-0.003	0.000	0.000	0.000	0.000
276	A	331	LYS	1	0.935	0.981	44.703	-0.085	-0.085	0.000	0.000	0.000	0.000
277	A	332	LEU	0	-0.014	0.009	44.743	0.001	0.001	0.000	0.000	0.000	0.000
278	A	333	THR	0	-0.017	-0.022	47.220	-0.004	-0.004	0.000	0.000	0.000	0.000
279	A	334	GLY	0	0.011	0.002	50.459	0.003	0.003	0.000	0.000	0.000	0.000
280	A	335	THR	0	-0.031	-0.020	47.557	0.003	0.003	0.000	0.000	0.000	0.000
281	A	336	GLY	0	0.025	0.014	49.537	-0.004	-0.004	0.000	0.000	0.000	0.000
282	A	337	SER	0	-0.051	-0.028	45.126	0.000	0.000	0.000	0.000	0.000	0.000
283	A	338	ASP	-1	-0.759	-0.836	46.245	0.094	0.094	0.000	0.000	0.000	0.000
284	A	339	THR	0	-0.041	-0.017	43.716	-0.003	-0.003	0.000	0.000	0.000	0.000
285	A	340	THR	0	-0.063	-0.054	46.880	0.000	0.000	0.000	0.000	0.000	0.000
286	A	341	ASP	-1	-0.889	-0.931	41.085	0.116	0.116	0.000	0.000	0.000	0.000
287	A	342	ILE	0	-0.124	-0.027	39.450	-0.002	-0.002	0.000	0.000	0.000	0.000
288	A	343	LYS	1	1.022	0.975	36.630	-0.153	-0.153	0.000	0.000	0.000	0.000
289	A	344	ASN	0	-0.101	-0.037	33.095	0.008	0.008	0.000	0.000	0.000	0.000
290	A	345	LYS	1	0.962	0.986	33.391	-0.132	-0.132	0.000	0.000	0.000	0.000
291	A	346	ASP	-1	-0.772	-0.876	31.248	0.237	0.237	0.000	0.000	0.000	0.000
292	A	347	LEU	0	-0.005	0.001	34.593	-0.009	-0.009	0.000	0.000	0.000	0.000
293	A	348	ILE	0	-0.024	-0.014	34.399	0.008	0.008	0.000	0.000	0.000	0.000
294	A	349	PHE	0	0.035	0.010	38.436	-0.009	-0.009	0.000	0.000	0.000	0.000
295	A	350	THR	0	-0.025	-0.018	41.241	0.005	0.005	0.000	0.000	0.000	0.000
296	A	351	GLY	0	0.021	-0.010	43.610	-0.004	-0.004	0.000	0.000	0.000	0.000
297	A	352	GLY	0	-0.064	-0.036	45.914	-0.005	-0.005	0.000	0.000	0.000	0.000
298	A	353	GLY	0	0.018	0.014	47.388	-0.003	-0.003	0.000	0.000	0.000	0.000
299	A	354	ASP	-1	-0.904	-0.957	48.014	0.106	0.106	0.000	0.000	0.000	0.000
300	A	355	ILE	0	0.015	-0.004	43.280	-0.001	-0.001	0.000	0.000	0.000	0.000
301	A	356	LEU	0	-0.046	-0.027	47.476	0.001	0.001	0.000	0.000	0.000	0.000
302	A	357	LEU	0	-0.011	-0.003	43.638	0.000	0.000	0.000	0.000	0.000	0.000
303	A	358	LYS	1	0.917	0.948	48.037	-0.087	-0.087	0.000	0.000	0.000	0.000
304	A	359	SER	0	0.030	0.015	46.695	-0.004	-0.004	0.000	0.000	0.000	0.000
305	A	360	SER	0	0.006	0.002	43.731	0.003	0.003	0.000	0.000	0.000	0.000
306	A	361	PHE	0	-0.028	-0.005	40.401	-0.003	-0.003	0.000	0.000	0.000	0.000
307	A	362	ASP	-1	-0.821	-0.914	36.908	0.183	0.183	0.000	0.000	0.000	0.000
308	A	363	ASN	0	-0.009	-0.023	36.433	-0.015	-0.015	0.000	0.000	0.000	0.000
309	A	364	GLY	0	0.000	-0.010	34.692	0.002	0.002	0.000	0.000	0.000	0.000
310	A	365	ALA	0	-0.002	0.003	29.569	0.008	0.008	0.000	0.000	0.000	0.000
311	A	366	GLY	0	-0.021	0.007	30.797	0.015	0.015	0.000	0.000	0.000	0.000
312	A	367	GLY	0	-0.003	-0.003	33.173	0.000	0.000	0.000	0.000	0.000	0.000
313	A	368	LEU	0	-0.023	-0.012	33.994	-0.013	-0.013	0.000	0.000	0.000	0.000
314	A	369	VAL	0	-0.002	0.000	33.514	0.010	0.010	0.000	0.000	0.000	0.000
315	A	370	PHE	0	0.008	0.011	36.190	-0.012	-0.012	0.000	0.000	0.000	0.000
316	A	371	ASN	0	0.042	0.010	36.334	0.017	0.017	0.000	0.000	0.000	0.000
317	A	372	ASP	-1	-0.772	-0.848	38.539	0.125	0.125	0.000	0.000	0.000	0.000
318	A	373	LYS	1	1.001	1.004	41.444	-0.114	-0.114	0.000	0.000	0.000	0.000
319	A	374	LYS	1	0.894	0.961	42.888	-0.111	-0.111	0.000	0.000	0.000	0.000
320	A	375	THR	0	0.031	0.006	44.056	0.006	0.006	0.000	0.000	0.000	0.000
321	A	376	TYR	0	-0.056	-0.058	43.000	-0.005	-0.005	0.000	0.000	0.000	0.000
322	A	377	ARG	1	0.922	0.985	45.829	-0.103	-0.103	0.000	0.000	0.000	0.000
323	A	378	VAL	0	0.016	0.024	42.603	-0.002	-0.002	0.000	0.000	0.000	0.000
324	A	379	ASN	0	0.024	0.006	45.950	0.002	0.002	0.000	0.000	0.000	0.000
325	A	380	GLY	0	0.073	0.012	48.303	0.001	0.001	0.000	0.000	0.000	0.000
326	A	381	ASP	-1	-0.921	-0.935	48.900	0.099	0.099	0.000	0.000	0.000	0.000
327	A	382	ASP	-1	-0.902	-0.952	48.307	0.122	0.122	0.000	0.000	0.000	0.000
328	A	383	PHE	0	-0.041	-0.015	46.617	0.003	0.003	0.000	0.000	0.000	0.000
329	A	384	THR	0	-0.046	-0.024	41.622	0.005	0.005	0.000	0.000	0.000	0.000
330	A	385	PHE	0	0.007	-0.002	35.923	-0.003	-0.003	0.000	0.000	0.000	0.000
331	A	386	LYS	1	0.964	0.987	33.999	-0.196	-0.196	0.000	0.000	0.000	0.000
332	A	387	GLY	0	0.026	0.011	33.987	-0.011	-0.011	0.000	0.000	0.000	0.000
333	A	388	ALA	0	-0.012	0.001	29.747	0.011	0.011	0.000	0.000	0.000	0.000
334	A	389	GLY	0	0.012	0.004	30.111	0.022	0.022	0.000	0.000	0.000	0.000
335	A	390	VAL	0	-0.035	-0.030	32.651	-0.016	-0.016	0.000	0.000	0.000	0.000
336	A	391	ASP	-1	-0.810	-0.906	31.225	0.267	0.267	0.000	0.000	0.000	0.000
337	A	392	THR	0	-0.025	-0.025	33.386	-0.013	-0.013	0.000	0.000	0.000	0.000
338	A	393	ARG	1	0.881	0.961	31.078	-0.215	-0.215	0.000	0.000	0.000	0.000
339	A	394	ASN	0	-0.050	-0.023	35.528	-0.008	-0.008	0.000	0.000	0.000	0.000
340	A	395	GLY	0	0.033	0.011	37.464	-0.012	-0.012	0.000	0.000	0.000	0.000
341	A	396	SER	0	-0.069	-0.022	38.331	-0.006	-0.006	0.000	0.000	0.000	0.000
342	A	397	THR	0	-0.012	-0.007	40.184	0.007	0.007	0.000	0.000	0.000	0.000
343	A	398	VAL	0	-0.007	-0.007	40.020	-0.007	-0.007	0.000	0.000	0.000	0.000
344	A	399	GLU	-1	-0.902	-0.956	42.550	0.121	0.121	0.000	0.000	0.000	0.000
345	A	400	TRP	0	-0.018	-0.026	39.382	-0.002	-0.002	0.000	0.000	0.000	0.000
346	A	401	ASN	0	-0.004	-0.014	43.653	0.003	0.003	0.000	0.000	0.000	0.000
347	A	402	ILE	0	-0.008	0.009	42.250	-0.006	-0.006	0.000	0.000	0.000	0.000
348	A	403	ARG	1	0.867	0.944	42.563	-0.130	-0.130	0.000	0.000	0.000	0.000
349	A	404	TYR	0	-0.007	-0.023	33.383	-0.004	-0.004	0.000	0.000	0.000	0.000
350	A	405	ASP	-1	-0.878	-0.946	36.865	0.174	0.174	0.000	0.000	0.000	0.000
351	A	406	ASN	0	0.013	-0.013	37.482	0.012	0.012	0.000	0.000	0.000	0.000
352	A	407	LYS	1	0.863	0.945	36.285	-0.152	-0.152	0.000	0.000	0.000	0.000
353	A	408	ASP	-1	-0.829	-0.889	31.651	0.268	0.268	0.000	0.000	0.000	0.000
354	A	409	ASN	0	-0.020	-0.014	28.675	-0.024	-0.024	0.000	0.000	0.000	0.000
355	A	410	LEU	0	0.026	0.023	31.796	0.005	0.005	0.000	0.000	0.000	0.000
356	A	411	HIS	0	-0.017	-0.018	25.612	0.003	0.003	0.000	0.000	0.000	0.000
357	A	412	LYS	1	0.780	0.897	30.582	-0.248	-0.248	0.000	0.000	0.000	0.000
358	A	413	ILE	0	-0.030	-0.023	27.224	0.022	0.022	0.000	0.000	0.000	0.000
359	A	414	GLY	0	0.074	0.035	30.264	-0.020	-0.020	0.000	0.000	0.000	0.000
360	A	415	ASP	-1	-0.856	-0.946	32.185	0.198	0.198	0.000	0.000	0.000	0.000
361	A	416	GLY	0	0.011	0.008	33.997	-0.010	-0.010	0.000	0.000	0.000	0.000
362	A	417	THR	0	-0.007	-0.006	36.650	0.010	0.010	0.000	0.000	0.000	0.000
363	A	418	LEU	0	-0.020	-0.013	36.602	-0.005	-0.005	0.000	0.000	0.000	0.000
364	A	419	ASP	-1	-0.840	-0.925	39.331	0.140	0.140	0.000	0.000	0.000	0.000
365	A	420	VAL	0	-0.029	-0.010	39.659	-0.005	-0.005	0.000	0.000	0.000	0.000
366	A	421	ARG	1	0.861	0.926	42.888	-0.127	-0.127	0.000	0.000	0.000	0.000
367	A	422	LYS	1	0.940	0.981	45.296	-0.126	-0.126	0.000	0.000	0.000	0.000
368	A	423	THR	0	-0.006	0.005	44.281	0.006	0.006	0.000	0.000	0.000	0.000
369	A	424	GLN	0	-0.048	-0.051	39.990	0.002	0.002	0.000	0.000	0.000	0.000
370	A	425	ASN	0	-0.046	-0.019	41.621	0.003	0.003	0.000	0.000	0.000	0.000
371	A	426	THR	0	0.007	-0.002	36.637	0.003	0.003	0.000	0.000	0.000	0.000
372	A	427	ASN	0	0.002	0.013	32.471	-0.016	-0.016	0.000	0.000	0.000	0.000
373	A	428	LEU	0	0.008	0.015	32.893	0.000	0.000	0.000	0.000	0.000	0.000
374	A	429	LYS	1	0.807	0.913	24.995	-0.396	-0.396	0.000	0.000	0.000	0.000
375	A	430	THR	0	-0.010	-0.023	29.685	-0.005	-0.005	0.000	0.000	0.000	0.000
376	A	431	GLY	0	0.047	0.021	27.050	0.016	0.016	0.000	0.000	0.000	0.000
377	A	432	GLU	-1	-0.871	-0.939	27.891	0.306	0.306	0.000	0.000	0.000	0.000
378	A	433	GLY	0	0.037	0.050	30.333	-0.012	-0.012	0.000	0.000	0.000	0.000
379	A	434	LEU	0	-0.055	-0.030	33.972	0.003	0.003	0.000	0.000	0.000	0.000
380	A	435	VAL	0	-0.010	-0.012	35.090	-0.001	-0.001	0.000	0.000	0.000	0.000
381	A	436	ILE	0	-0.018	0.002	37.824	0.000	0.000	0.000	0.000	0.000	0.000
382	A	437	LEU	0	-0.022	-0.028	38.328	0.001	0.001	0.000	0.000	0.000	0.000
383	A	438	GLY	0	0.046	0.020	42.231	-0.005	-0.005	0.000	0.000	0.000	0.000
384	A	439	ALA	0	-0.020	0.008	45.101	-0.007	-0.007	0.000	0.000	0.000	0.000
385	A	440	GLU	-1	-0.913	-0.939	45.402	0.119	0.119	0.000	0.000	0.000	0.000
386	A	441	LYS	1	0.923	0.956	42.015	-0.149	-0.149	0.000	0.000	0.000	0.000
387	A	442	THR	0	-0.025	-0.020	40.767	0.003	0.003	0.000	0.000	0.000	0.000
388	A	443	PHE	0	0.037	0.004	37.123	0.002	0.002	0.000	0.000	0.000	0.000
389	A	444	ASN	0	-0.062	-0.031	37.644	-0.011	-0.011	0.000	0.000	0.000	0.000
390	A	445	ASN	0	-0.036	-0.016	33.485	-0.002	-0.002	0.000	0.000	0.000	0.000
391	A	446	ILE	0	0.019	0.007	32.721	0.000	0.000	0.000	0.000	0.000	0.000
392	A	447	TYR	0	-0.076	-0.038	22.796	0.009	0.009	0.000	0.000	0.000	0.000
393	A	448	ILE	0	0.006	0.008	29.129	0.000	0.000	0.000	0.000	0.000	0.000
394	A	449	THR	0	-0.025	-0.012	22.711	0.021	0.021	0.000	0.000	0.000	0.000
395	A	450	SER	0	-0.006	-0.016	23.221	-0.026	-0.026	0.000	0.000	0.000	0.000
396	A	451	GLY	0	0.064	0.040	24.256	0.007	0.007	0.000	0.000	0.000	0.000
397	A	452	ASP	-1	-0.869	-0.927	26.732	0.327	0.327	0.000	0.000	0.000	0.000
398	A	453	GLY	0	-0.043	-0.006	29.146	-0.020	-0.020	0.000	0.000	0.000	0.000
399	A	454	THR	0	-0.048	-0.033	31.420	-0.004	-0.004	0.000	0.000	0.000	0.000
400	A	455	VAL	0	0.008	0.001	34.266	-0.003	-0.003	0.000	0.000	0.000	0.000
401	A	456	ARG	1	0.894	0.959	36.886	-0.161	-0.161	0.000	0.000	0.000	0.000
402	A	457	LEU	0	-0.018	0.000	40.610	0.000	0.000	0.000	0.000	0.000	0.000
403	A	458	ASN	0	-0.029	-0.025	43.207	-0.007	-0.007	0.000	0.000	0.000	0.000
404	A	459	ALA	0	0.029	0.024	46.262	-0.005	-0.005	0.000	0.000	0.000	0.000
405	A	460	GLU	-1	-0.895	-0.949	47.284	0.109	0.109	0.000	0.000	0.000	0.000
406	A	461	ASN	0	-0.027	-0.021	47.176	0.006	0.006	0.000	0.000	0.000	0.000
407	A	462	ALA	0	0.053	0.039	43.476	0.003	0.003	0.000	0.000	0.000	0.000
408	A	463	LEU	0	-0.055	-0.008	38.933	0.007	0.007	0.000	0.000	0.000	0.000
409	A	464	SER	0	-0.023	-0.026	38.662	-0.009	-0.009	0.000	0.000	0.000	0.000
410	A	465	GLY	0	0.039	0.022	41.611	-0.003	-0.003	0.000	0.000	0.000	0.000
411	A	466	GLY	0	-0.014	-0.016	39.515	0.009	0.009	0.000	0.000	0.000	0.000
412	A	467	GLU	-1	-0.931	-0.982	36.419	0.182	0.182	0.000	0.000	0.000	0.000
413	A	468	TYR	0	0.046	-0.008	33.527	0.001	0.001	0.000	0.000	0.000	0.000
414	A	469	ASN	0	-0.008	0.011	36.679	0.004	0.004	0.000	0.000	0.000	0.000
415	A	470	GLY	0	0.010	0.016	35.609	0.001	0.001	0.000	0.000	0.000	0.000
416	A	471	ILE	0	0.006	0.008	33.166	0.007	0.007	0.000	0.000	0.000	0.000
417	A	472	PHE	0	-0.035	-0.017	28.918	-0.002	-0.002	0.000	0.000	0.000	0.000
418	A	473	PHE	0	-0.003	0.005	28.586	0.010	0.010	0.000	0.000	0.000	0.000
419	A	474	ALA	0	0.009	-0.016	23.237	0.009	0.009	0.000	0.000	0.000	0.000
420	A	475	LYS	1	0.986	0.984	16.202	-0.873	-0.873	0.000	0.000	0.000	0.000
421	A	476	ASN	0	-0.017	-0.023	21.036	-0.009	-0.009	0.000	0.000	0.000	0.000
422	A	477	GLY	0	-0.022	0.007	24.284	-0.031	-0.031	0.000	0.000	0.000	0.000
423	A	478	GLY	0	0.075	0.028	27.343	0.012	0.012	0.000	0.000	0.000	0.000
424	A	479	THR	0	-0.014	0.001	30.378	-0.012	-0.012	0.000	0.000	0.000	0.000
425	A	480	LEU	0	0.000	-0.001	34.142	-0.001	-0.001	0.000	0.000	0.000	0.000
426	A	481	ASP	-1	-0.762	-0.860	36.769	0.145	0.145	0.000	0.000	0.000	0.000
427	A	482	LEU	0	0.030	-0.016	40.214	-0.001	-0.001	0.000	0.000	0.000	0.000
428	A	483	ASN	0	-0.037	-0.028	43.053	-0.009	-0.009	0.000	0.000	0.000	0.000
429	A	484	GLY	0	-0.024	-0.011	45.482	-0.004	-0.004	0.000	0.000	0.000	0.000
430	A	485	TYR	0	-0.053	-0.013	46.242	-0.005	-0.005	0.000	0.000	0.000	0.000
431	A	486	ASN	0	0.032	0.006	46.408	0.005	0.005	0.000	0.000	0.000	0.000
432	A	487	GLN	0	0.000	-0.009	42.417	0.005	0.005	0.000	0.000	0.000	0.000
433	A	488	SER	0	0.019	0.019	44.403	-0.003	-0.003	0.000	0.000	0.000	0.000
434	A	489	PHE	0	0.021	0.032	37.327	0.003	0.003	0.000	0.000	0.000	0.000
435	A	490	ASN	0	-0.010	0.001	39.948	-0.010	-0.010	0.000	0.000	0.000	0.000
436	A	491	LYS	1	0.884	0.937	34.450	-0.194	-0.194	0.000	0.000	0.000	0.000
437	A	492	ILE	0	0.070	0.053	33.366	0.002	0.002	0.000	0.000	0.000	0.000
438	A	493	ALA	0	-0.008	0.017	30.537	0.007	0.007	0.000	0.000	0.000	0.000
439	A	494	ALA	0	0.020	0.008	29.129	0.013	0.013	0.000	0.000	0.000	0.000
440	A	495	THR	0	-0.054	-0.030	23.434	0.009	0.009	0.000	0.000	0.000	0.000
441	A	496	ASP	-1	-0.773	-0.894	23.375	0.450	0.450	0.000	0.000	0.000	0.000
442	A	497	SER	0	0.056	0.019	26.152	-0.011	-0.011	0.000	0.000	0.000	0.000
443	A	498	GLY	0	0.024	0.024	26.956	-0.018	-0.018	0.000	0.000	0.000	0.000
444	A	499	ALA	0	-0.053	-0.018	28.084	-0.010	-0.010	0.000	0.000	0.000	0.000
445	A	500	VAL	0	-0.006	0.017	30.537	-0.016	-0.016	0.000	0.000	0.000	0.000
446	A	501	ILE	0	0.007	0.007	34.025	0.001	0.001	0.000	0.000	0.000	0.000
447	A	502	THR	0	0.024	-0.002	37.314	-0.009	-0.009	0.000	0.000	0.000	0.000
448	A	503	ASN	0	-0.015	-0.003	40.089	0.001	0.001	0.000	0.000	0.000	0.000
449	A	504	THR	0	-0.069	-0.073	41.836	-0.006	-0.006	0.000	0.000	0.000	0.000
450	A	505	SER	0	0.010	0.030	44.557	-0.007	-0.007	0.000	0.000	0.000	0.000
451	A	506	THR	0	0.005	-0.009	47.964	0.000	0.000	0.000	0.000	0.000	0.000
452	A	507	LYS	1	0.927	0.974	51.053	-0.101	-0.101	0.000	0.000	0.000	0.000
453	A	508	LYS	1	0.956	0.980	49.744	-0.089	-0.089	0.000	0.000	0.000	0.000
454	A	509	SER	0	-0.014	-0.023	46.373	0.001	0.001	0.000	0.000	0.000	0.000
455	A	510	ILE	0	-0.004	0.001	47.459	0.001	0.001	0.000	0.000	0.000	0.000
456	A	511	LEU	0	0.014	0.006	39.985	0.003	0.003	0.000	0.000	0.000	0.000
457	A	512	SER	0	-0.034	-0.013	44.443	-0.005	-0.005	0.000	0.000	0.000	0.000
458	A	513	LEU	0	0.015	0.005	39.123	0.008	0.008	0.000	0.000	0.000	0.000
459	A	514	ASN	0	0.001	-0.023	42.423	-0.002	-0.002	0.000	0.000	0.000	0.000
460	A	515	ASN	0	0.008	0.002	38.809	-0.001	-0.001	0.000	0.000	0.000	0.000
461	A	516	THR	0	-0.010	-0.026	40.025	-0.009	-0.009	0.000	0.000	0.000	0.000
462	A	517	ALA	0	-0.013	-0.001	37.842	-0.006	-0.006	0.000	0.000	0.000	0.000
463	A	518	ASP	-1	-0.809	-0.881	36.177	0.134	0.134	0.000	0.000	0.000	0.000
464	A	519	TYR	0	-0.047	-0.056	32.786	0.004	0.004	0.000	0.000	0.000	0.000
465	A	520	ILE	0	-0.012	0.005	30.068	-0.007	-0.007	0.000	0.000	0.000	0.000
466	A	521	TYR	0	-0.027	-0.020	31.929	0.022	0.022	0.000	0.000	0.000	0.000
467	A	522	HIS	1	0.781	0.838	27.257	-0.287	-0.287	0.000	0.000	0.000	0.000
468	A	523	GLY	0	0.043	0.031	30.245	0.009	0.009	0.000	0.000	0.000	0.000
469	A	524	ASN	0	-0.047	-0.028	31.868	-0.026	-0.026	0.000	0.000	0.000	0.000
470	A	525	ILE	0	-0.022	0.013	34.770	0.004	0.004	0.000	0.000	0.000	0.000
471	A	526	ASN	0	0.061	0.021	36.015	-0.010	-0.010	0.000	0.000	0.000	0.000
472	A	527	GLY	0	0.009	0.007	39.996	-0.001	-0.001	0.000	0.000	0.000	0.000
473	A	528	ASN	0	-0.073	-0.036	43.073	-0.006	-0.006	0.000	0.000	0.000	0.000
474	A	529	LEU	0	0.001	0.002	41.384	0.000	0.000	0.000	0.000	0.000	0.000
475	A	530	ASP	-1	-0.788	-0.877	45.775	0.100	0.100	0.000	0.000	0.000	0.000
476	A	531	VAL	0	-0.026	-0.024	42.517	0.005	0.005	0.000	0.000	0.000	0.000
477	A	532	LEU	0	0.001	-0.004	45.560	-0.007	-0.007	0.000	0.000	0.000	0.000
478	A	533	GLN	0	-0.011	0.028	41.781	0.001	0.001	0.000	0.000	0.000	0.000
479	A	534	HIS	0	0.008	-0.010	46.387	-0.006	-0.006	0.000	0.000	0.000	0.000
480	A	535	HIS	0	-0.014	0.002	44.534	0.000	0.000	0.000	0.000	0.000	0.000
481	A	536	GLU	-1	-0.926	-0.964	49.986	0.073	0.073	0.000	0.000	0.000	0.000
482	A	537	THR	0	-0.041	-0.026	51.852	-0.004	-0.004	0.000	0.000	0.000	0.000
483	A	538	LYS	1	0.901	0.966	48.631	-0.075	-0.075	0.000	0.000	0.000	0.000
484	A	539	LYS	1	0.873	0.932	47.337	-0.088	-0.088	0.000	0.000	0.000	0.000
485	A	540	GLU	-1	-0.828	-0.917	44.368	0.087	0.087	0.000	0.000	0.000	0.000
486	A	541	ASN	0	-0.075	-0.038	41.052	0.004	0.004	0.000	0.000	0.000	0.000
487	A	542	ARG	1	0.923	0.957	40.536	-0.100	-0.100	0.000	0.000	0.000	0.000
488	A	543	ARG	1	0.963	0.998	38.496	-0.112	-0.112	0.000	0.000	0.000	0.000
489	A	544	LEU	0	-0.023	0.004	37.443	0.010	0.010	0.000	0.000	0.000	0.000
490	A	545	ILE	0	-0.028	-0.024	33.818	-0.007	-0.007	0.000	0.000	0.000	0.000
491	A	546	LEU	0	0.003	0.006	34.896	0.013	0.013	0.000	0.000	0.000	0.000
492	A	547	ASP	-1	-0.789	-0.890	29.400	0.235	0.235	0.000	0.000	0.000	0.000
493	A	548	GLY	0	0.032	0.028	30.838	0.013	0.013	0.000	0.000	0.000	0.000
494	A	549	GLY	0	-0.029	-0.019	32.086	-0.006	-0.006	0.000	0.000	0.000	0.000
495	A	550	VAL	0	-0.064	-0.033	35.335	0.003	0.003	0.000	0.000	0.000	0.000
496	A	551	ASP	-1	-0.868	-0.923	38.857	0.133	0.133	0.000	0.000	0.000	0.000
497	A	552	THR	0	0.002	0.006	40.684	0.000	0.000	0.000	0.000	0.000	0.000
498	A	553	THR	0	-0.026	-0.017	44.168	-0.002	-0.002	0.000	0.000	0.000	0.000
499	A	554	ASN	0	-0.068	-0.039	46.995	-0.002	-0.002	0.000	0.000	0.000	0.000
500	A	555	ASP	-1	-0.789	-0.889	47.988	0.090	0.090	0.000	0.000	0.000	0.000
501	A	556	ILE	0	-0.012	-0.008	43.499	0.006	0.006	0.000	0.000	0.000	0.000
502	A	557	SER	0	-0.021	0.011	47.235	-0.005	-0.005	0.000	0.000	0.000	0.000
503	A	558	LEU	0	-0.030	-0.021	44.912	0.005	0.005	0.000	0.000	0.000	0.000
504	A	559	ARG	1	0.942	0.978	48.808	-0.085	-0.085	0.000	0.000	0.000	0.000
505	A	560	ASN	0	-0.041	-0.023	50.071	0.001	0.001	0.000	0.000	0.000	0.000
506	A	561	THR	0	-0.027	-0.048	44.783	0.002	0.002	0.000	0.000	0.000	0.000
507	A	562	GLN	0	-0.085	-0.057	43.238	0.000	0.000	0.000	0.000	0.000	0.000
508	A	563	LEU	0	0.008	0.016	40.131	0.006	0.006	0.000	0.000	0.000	0.000
509	A	564	SER	0	0.006	-0.009	37.753	-0.008	-0.008	0.000	0.000	0.000	0.000
510	A	565	MET	0	-0.042	0.004	37.535	0.007	0.007	0.000	0.000	0.000	0.000
511	A	566	GLN	0	-0.005	-0.004	31.458	-0.022	-0.022	0.000	0.000	0.000	0.000
512	A	567	GLY	0	0.098	0.060	31.920	0.007	0.007	0.000	0.000	0.000	0.000
513	A	568	HIS	1	0.749	0.865	24.234	-0.306	-0.306	0.000	0.000	0.000	0.000
514	A	569	ALA	0	0.012	0.017	24.816	-0.001	-0.001	0.000	0.000	0.000	0.000
515	A	570	THR	0	-0.019	-0.016	20.358	0.013	0.013	0.000	0.000	0.000	0.000
516	A	571	GLU	-1	-0.866	-0.923	19.343	0.464	0.464	0.000	0.000	0.000	0.000
517	A	572	HIS	1	0.690	0.789	15.528	-0.382	-0.382	0.000	0.000	0.000	0.000
518	A	573	ALA	0	-0.003	-0.003	11.173	0.014	0.014	0.000	0.000	0.000	0.000
519	A	574	ILE	0	-0.044	-0.015	12.893	-0.140	-0.140	0.000	0.000	0.000	0.000
520	A	575	TYR	0	0.014	-0.015	9.327	0.187	0.187	0.000	0.000	0.000	0.000
521	A	576	ARG	1	0.803	0.900	10.798	-0.173	-0.173	0.000	0.000	0.000	0.000
522	A	577	ASP	-1	-0.841	-0.918	13.602	0.502	0.502	0.000	0.000	0.000	0.000
523	A	578	GLY	0	0.014	0.011	16.618	-0.026	-0.026	0.000	0.000	0.000	0.000
524	A	579	ALA	0	-0.023	-0.018	18.066	0.008	0.008	0.000	0.000	0.000	0.000
525	A	580	PHE	0	0.007	0.014	17.756	0.022	0.022	0.000	0.000	0.000	0.000
526	A	594	SER	0	0.017	-0.006	17.660	-0.015	-0.015	0.000	0.000	0.000	0.000
527	A	595	ASP	-1	-0.823	-0.918	16.184	0.165	0.165	0.000	0.000	0.000	0.000
528	A	596	TYR	0	0.036	-0.016	10.098	-0.083	-0.083	0.000	0.000	0.000	0.000
529	A	597	VAL	0	-0.015	0.009	12.333	-0.042	-0.042	0.000	0.000	0.000	0.000
530	A	598	ALA	0	0.022	0.019	13.721	-0.045	-0.045	0.000	0.000	0.000	0.000
531	A	599	GLY	0	0.002	-0.002	13.964	-0.044	-0.044	0.000	0.000	0.000	0.000
532	A	600	MET	0	-0.031	-0.027	7.052	-0.032	-0.032	0.000	0.000	0.000	0.000
533	A	601	GLN	0	-0.026	-0.014	11.932	-0.074	-0.074	0.000	0.000	0.000	0.000
534	A	602	ASN	0	-0.006	-0.009	15.156	-0.003	-0.003	0.000	0.000	0.000	0.000
535	A	603	THR	0	-0.076	-0.029	11.693	-0.078	-0.078	0.000	0.000	0.000	0.000
536	A	604	GLU	-1	-0.781	-0.882	12.588	-0.351	-0.351	0.000	0.000	0.000	0.000
537	A	605	ALA	0	0.041	0.028	15.873	0.050	0.050	0.000	0.000	0.000	0.000
538	A	606	ASP	-1	-0.912	-0.952	18.226	-0.331	-0.331	0.000	0.000	0.000	0.000
539	A	607	ALA	0	0.047	0.013	17.712	0.021	0.021	0.000	0.000	0.000	0.000
540	A	608	VAL	0	0.012	0.020	18.202	0.028	0.028	0.000	0.000	0.000	0.000
541	A	609	LYS	1	0.885	0.932	20.790	0.179	0.179	0.000	0.000	0.000	0.000
542	A	610	GLN	0	-0.044	-0.003	23.167	0.001	0.001	0.000	0.000	0.000	0.000
543	A	611	ASN	0	-0.033	-0.029	21.191	-0.005	-0.005	0.000	0.000	0.000	0.000
544	A	612	GLY	0	0.019	0.035	24.216	0.018	0.018	0.000	0.000	0.000	0.000
545	A	613	ASN	0	0.030	-0.003	20.040	0.003	0.003	0.000	0.000	0.000	0.000
546	A	614	ALA	0	0.055	0.005	20.581	0.005	0.005	0.000	0.000	0.000	0.000
547	A	615	TYR	0	0.030	0.016	20.221	0.007	0.007	0.000	0.000	0.000	0.000
548	A	616	LYS	1	0.822	0.935	15.541	-0.073	-0.073	0.000	0.000	0.000	0.000
549	A	617	THR	0	0.009	-0.001	14.927	0.051	0.051	0.000	0.000	0.000	0.000
550	A	618	ASN	0	0.070	0.037	16.136	0.028	0.028	0.000	0.000	0.000	0.000
551	A	619	ASN	0	-0.014	-0.013	14.572	0.081	0.081	0.000	0.000	0.000	0.000
552	A	620	ALA	0	0.012	0.021	16.339	0.026	0.026	0.000	0.000	0.000	0.000
553	A	621	VAL	0	-0.018	-0.003	17.539	0.007	0.007	0.000	0.000	0.000	0.000
554	A	622	SER	0	0.024	-0.003	18.840	0.016	0.016	0.000	0.000	0.000	0.000
555	A	623	ASP	-1	-0.872	-0.931	21.684	0.141	0.141	0.000	0.000	0.000	0.000
556	A	624	LEU	0	0.015	0.022	24.156	-0.004	-0.004	0.000	0.000	0.000	0.000
557	A	625	SER	0	-0.074	-0.038	25.421	-0.013	-0.013	0.000	0.000	0.000	0.000
558	A	626	GLN	0	-0.036	-0.013	22.173	-0.009	-0.009	0.000	0.000	0.000	0.000
559	A	627	PRO	0	0.000	-0.008	23.483	0.000	0.000	0.000	0.000	0.000	0.000
560	A	628	ASP	-1	-0.826	-0.893	21.644	0.239	0.239	0.000	0.000	0.000	0.000
561	A	629	TRP	0	-0.024	-0.019	24.767	0.025	0.025	0.000	0.000	0.000	0.000
562	A	630	GLU	-1	-0.849	-0.922	24.016	0.311	0.311	0.000	0.000	0.000	0.000
563	A	631	THR	0	-0.037	-0.031	28.388	-0.003	-0.003	0.000	0.000	0.000	0.000
564	A	632	GLY	0	0.052	0.052	32.110	0.011	0.011	0.000	0.000	0.000	0.000
565	A	633	THR	0	-0.051	-0.037	33.981	-0.016	-0.016	0.000	0.000	0.000	0.000
566	A	634	PHE	0	-0.025	-0.018	35.040	0.007	0.007	0.000	0.000	0.000	0.000
567	A	635	ARG	1	0.922	0.968	39.676	-0.132	-0.132	0.000	0.000	0.000	0.000
568	A	636	PHE	0	-0.001	-0.002	42.601	0.006	0.006	0.000	0.000	0.000	0.000
569	A	637	GLY	0	0.013	0.007	45.536	-0.004	-0.004	0.000	0.000	0.000	0.000
570	A	638	THR	0	-0.023	-0.014	49.354	-0.005	-0.005	0.000	0.000	0.000	0.000
571	A	639	LEU	0	-0.040	-0.009	45.344	0.004	0.004	0.000	0.000	0.000	0.000
572	A	640	HIS	0	-0.014	-0.016	48.846	-0.005	-0.005	0.000	0.000	0.000	0.000
573	A	641	LEU	0	-0.036	-0.037	47.620	0.004	0.004	0.000	0.000	0.000	0.000
574	A	642	GLU	-1	-0.820	-0.918	51.422	0.069	0.069	0.000	0.000	0.000	0.000
575	A	643	ASN	0	-0.032	-0.009	52.376	0.002	0.002	0.000	0.000	0.000	0.000
576	A	644	SER	0	-0.055	-0.054	48.224	0.004	0.004	0.000	0.000	0.000	0.000
577	A	645	ASP	-1	-0.833	-0.895	45.857	0.078	0.078	0.000	0.000	0.000	0.000
578	A	646	PHE	0	0.018	0.001	42.494	0.005	0.005	0.000	0.000	0.000	0.000
579	A	647	SER	0	-0.009	-0.013	40.909	-0.007	-0.007	0.000	0.000	0.000	0.000
580	A	648	VAL	0	-0.004	0.017	39.651	0.008	0.008	0.000	0.000	0.000	0.000
581	A	649	GLY	0	0.046	0.019	36.763	-0.007	-0.007	0.000	0.000	0.000	0.000
582	A	650	ARG	1	0.875	0.931	30.520	-0.126	-0.126	0.000	0.000	0.000	0.000
583	A	651	ASN	0	0.010	0.005	31.496	0.007	0.007	0.000	0.000	0.000	0.000
584	A	652	ALA	0	0.065	0.037	33.908	0.013	0.013	0.000	0.000	0.000	0.000
585	A	653	ASN	0	-0.013	-0.014	36.639	-0.014	-0.014	0.000	0.000	0.000	0.000
586	A	654	VAL	0	-0.012	-0.003	39.002	0.005	0.005	0.000	0.000	0.000	0.000
587	A	655	ILE	0	-0.039	-0.030	41.498	-0.006	-0.006	0.000	0.000	0.000	0.000
588	A	656	GLY	0	0.064	0.026	44.439	0.004	0.004	0.000	0.000	0.000	0.000
589	A	657	ASP	-1	-0.834	-0.899	47.472	0.072	0.072	0.000	0.000	0.000	0.000
590	A	658	ILE	0	-0.029	-0.020	47.403	0.004	0.004	0.000	0.000	0.000	0.000
591	A	659	GLN	0	0.023	0.007	51.024	-0.004	-0.004	0.000	0.000	0.000	0.000
592	A	660	ALA	0	-0.018	-0.006	52.349	0.003	0.003	0.000	0.000	0.000	0.000
593	A	661	SER	0	0.046	0.029	54.057	-0.003	-0.003	0.000	0.000	0.000	0.000
594	A	662	LYS	1	0.898	0.957	55.226	-0.053	-0.053	0.000	0.000	0.000	0.000
595	A	663	SER	0	-0.020	-0.029	51.174	0.004	0.004	0.000	0.000	0.000	0.000
596	A	664	ASN	0	-0.023	0.008	49.166	-0.007	-0.007	0.000	0.000	0.000	0.000
597	A	665	ILE	0	0.013	0.008	47.214	0.005	0.005	0.000	0.000	0.000	0.000
598	A	666	THR	0	-0.009	-0.002	43.582	-0.006	-0.006	0.000	0.000	0.000	0.000
599	A	667	ILE	0	0.001	-0.005	43.390	0.006	0.006	0.000	0.000	0.000	0.000
600	A	668	GLY	0	0.065	0.015	40.567	-0.006	-0.006	0.000	0.000	0.000	0.000
601	A	669	ASP	-1	-0.893	-0.949	39.394	0.092	0.092	0.000	0.000	0.000	0.000
602	A	670	THR	0	0.010	0.004	37.741	0.005	0.005	0.000	0.000	0.000	0.000
603	A	671	THR	0	-0.060	-0.012	36.073	0.003	0.003	0.000	0.000	0.000	0.000
604	A	672	ALA	0	-0.003	0.011	32.072	0.003	0.003	0.000	0.000	0.000	0.000
605	A	673	TYR	0	-0.034	-0.041	31.729	-0.002	-0.002	0.000	0.000	0.000	0.000
606	A	674	ILE	0	0.023	0.017	24.718	0.010	0.010	0.000	0.000	0.000	0.000
607	A	675	ASP	-1	-0.708	-0.846	26.225	0.295	0.295	0.000	0.000	0.000	0.000
608	A	676	LEU	0	0.021	0.005	22.640	0.027	0.027	0.000	0.000	0.000	0.000
609	A	677	HIS	0	-0.087	-0.055	21.673	0.069	0.069	0.000	0.000	0.000	0.000
610	A	678	ALA	0	0.044	0.032	22.804	0.016	0.016	0.000	0.000	0.000	0.000
611	A	679	GLY	0	0.069	0.049	20.751	0.039	0.039	0.000	0.000	0.000	0.000
612	A	680	LYS	1	0.770	0.897	17.878	-0.457	-0.457	0.000	0.000	0.000	0.000
613	A	681	ASN	0	0.002	-0.033	21.051	-0.003	-0.003	0.000	0.000	0.000	0.000
614	A	682	ILE	0	0.016	0.033	23.953	-0.027	-0.027	0.000	0.000	0.000	0.000
615	A	683	THR	0	-0.028	0.004	23.232	0.043	0.043	0.000	0.000	0.000	0.000
616	A	684	GLY	0	0.004	-0.015	24.135	-0.016	-0.016	0.000	0.000	0.000	0.000
617	A	685	ASP	-1	-0.839	-0.930	23.642	0.408	0.408	0.000	0.000	0.000	0.000
618	A	686	GLY	0	0.006	-0.008	25.728	0.006	0.006	0.000	0.000	0.000	0.000
619	A	687	PHE	0	-0.033	-0.024	26.516	-0.010	-0.010	0.000	0.000	0.000	0.000
620	A	688	GLY	0	0.030	0.027	28.414	-0.024	-0.024	0.000	0.000	0.000	0.000
621	A	689	PHE	0	-0.002	0.004	28.086	0.024	0.024	0.000	0.000	0.000	0.000
622	A	690	ARG	1	0.784	0.901	20.382	-0.493	-0.493	0.000	0.000	0.000	0.000
623	A	691	GLN	0	0.012	-0.007	27.350	-0.002	-0.002	0.000	0.000	0.000	0.000
624	A	692	ASN	0	-0.053	-0.015	25.791	-0.029	-0.029	0.000	0.000	0.000	0.000
625	A	693	ILE	0	0.024	0.031	27.525	0.010	0.010	0.000	0.000	0.000	0.000
626	A	694	VAL	0	-0.008	0.002	26.990	-0.011	-0.011	0.000	0.000	0.000	0.000
627	A	695	ARG	1	0.884	0.937	29.903	-0.129	-0.129	0.000	0.000	0.000	0.000
628	A	696	GLY	0	0.014	-0.013	32.654	-0.006	-0.006	0.000	0.000	0.000	0.000
629	A	697	ASN	0	-0.010	-0.002	33.766	0.003	0.003	0.000	0.000	0.000	0.000
630	A	698	SER	0	-0.037	-0.034	30.201	0.002	0.002	0.000	0.000	0.000	0.000
631	A	699	GLN	0	0.029	0.015	33.065	0.004	0.004	0.000	0.000	0.000	0.000
632	A	700	GLY	0	-0.021	-0.021	33.755	0.002	0.002	0.000	0.000	0.000	0.000
633	A	701	GLU	-1	-0.944	-0.963	35.083	0.072	0.072	0.000	0.000	0.000	0.000
634	A	702	THR	0	-0.046	-0.031	36.362	0.011	0.011	0.000	0.000	0.000	0.000
635	A	703	LEU	0	0.023	0.017	38.821	-0.008	-0.008	0.000	0.000	0.000	0.000
636	A	704	PHE	0	-0.004	0.009	41.563	0.006	0.006	0.000	0.000	0.000	0.000
637	A	705	THR	0	-0.039	-0.026	44.398	-0.006	-0.006	0.000	0.000	0.000	0.000
638	A	706	GLY	0	0.055	0.034	46.772	0.004	0.004	0.000	0.000	0.000	0.000
639	A	707	GLY	0	0.016	0.013	49.964	-0.004	-0.004	0.000	0.000	0.000	0.000
640	A	708	ILE	0	-0.006	-0.017	49.958	0.004	0.004	0.000	0.000	0.000	0.000
641	A	709	THR	0	-0.008	0.008	53.749	-0.004	-0.004	0.000	0.000	0.000	0.000
642	A	710	ALA	0	-0.022	-0.013	55.003	0.003	0.003	0.000	0.000	0.000	0.000
643	A	711	GLU	-1	-0.895	-0.939	56.795	0.052	0.052	0.000	0.000	0.000	0.000
644	A	712	ASP	-1	-0.881	-0.925	57.974	0.053	0.053	0.000	0.000	0.000	0.000
645	A	713	SER	0	-0.042	-0.040	54.098	0.003	0.003	0.000	0.000	0.000	0.000
646	A	714	THR	0	-0.100	-0.052	52.179	-0.003	-0.003	0.000	0.000	0.000	0.000
647	A	715	ILE	0	0.047	0.022	50.371	0.004	0.004	0.000	0.000	0.000	0.000
648	A	716	VAL	0	-0.017	-0.011	47.863	-0.004	-0.004	0.000	0.000	0.000	0.000
649	A	717	ILE	0	-0.008	0.003	46.441	0.005	0.005	0.000	0.000	0.000	0.000
650	A	718	LYS	1	0.871	0.927	43.154	-0.068	-0.068	0.000	0.000	0.000	0.000
651	A	719	ASP	-1	-0.816	-0.923	42.051	0.051	0.051	0.000	0.000	0.000	0.000
652	A	720	LYS	1	0.880	0.945	37.989	-0.046	-0.046	0.000	0.000	0.000	0.000
653	A	721	ALA	0	-0.001	0.017	40.688	0.005	0.005	0.000	0.000	0.000	0.000
654	A	722	LYS	1	0.942	0.971	42.568	-0.068	-0.068	0.000	0.000	0.000	0.000
655	A	723	ALA	0	-0.002	-0.001	44.404	0.005	0.005	0.000	0.000	0.000	0.000
656	A	724	LEU	0	-0.033	-0.019	47.115	-0.005	-0.005	0.000	0.000	0.000	0.000
657	A	725	PHE	0	0.007	-0.011	48.888	0.003	0.003	0.000	0.000	0.000	0.000
658	A	726	SER	0	0.003	-0.014	50.369	-0.003	-0.003	0.000	0.000	0.000	0.000
659	A	727	ASN	0	-0.037	-0.012	52.630	-0.003	-0.003	0.000	0.000	0.000	0.000
660	A	728	TYR	0	-0.024	-0.011	55.017	-0.001	-0.001	0.000	0.000	0.000	0.000
661	A	729	VAL	0	0.002	0.003	54.570	0.003	0.003	0.000	0.000	0.000	0.000
662	A	730	TYR	0	-0.001	-0.004	57.184	-0.003	-0.003	0.000	0.000	0.000	0.000
663	A	731	LEU	0	0.005	-0.008	55.848	0.003	0.003	0.000	0.000	0.000	0.000
664	A	732	LEU	0	0.046	0.013	59.512	-0.003	-0.003	0.000	0.000	0.000	0.000
665	A	733	ASN	0	-0.023	-0.027	61.062	0.002	0.002	0.000	0.000	0.000	0.000
666	A	734	THR	0	0.011	0.016	55.925	0.002	0.002	0.000	0.000	0.000	0.000
667	A	735	LYS	1	0.959	0.990	54.897	-0.048	-0.048	0.000	0.000	0.000	0.000
668	A	736	ALA	0	0.042	0.019	54.318	0.003	0.003	0.000	0.000	0.000	0.000
669	A	737	THR	0	-0.053	-0.032	51.903	-0.004	-0.004	0.000	0.000	0.000	0.000
670	A	738	ILE	0	0.015	0.021	50.059	0.004	0.004	0.000	0.000	0.000	0.000
671	A	739	GLU	-1	-0.855	-0.938	46.852	0.051	0.051	0.000	0.000	0.000	0.000
672	A	740	ASN	0	0.049	-0.012	47.847	0.001	0.001	0.000	0.000	0.000	0.000
673	A	741	GLY	0	-0.019	-0.007	45.149	0.002	0.002	0.000	0.000	0.000	0.000
674	A	742	ALA	0	-0.038	0.004	44.896	0.003	0.003	0.000	0.000	0.000	0.000
675	A	743	ASP	-1	-0.930	-0.978	46.419	0.043	0.043	0.000	0.000	0.000	0.000
676	A	744	VAL	0	0.009	0.007	47.664	0.004	0.004	0.000	0.000	0.000	0.000
677	A	745	THR	0	-0.022	-0.012	50.416	-0.004	-0.004	0.000	0.000	0.000	0.000
678	A	746	THR	0	-0.014	0.005	52.006	0.003	0.003	0.000	0.000	0.000	0.000
679	A	747	GLN	0	0.048	0.007	52.434	0.000	0.000	0.000	0.000	0.000	0.000
680	A	748	SER	0	0.015	0.012	56.361	-0.001	-0.001	0.000	0.000	0.000	0.000
681	A	749	GLY	0	-0.011	0.009	58.124	0.000	0.000	0.000	0.000	0.000	0.000
682	A	750	MET	0	-0.036	-0.039	56.282	0.002	0.002	0.000	0.000	0.000	0.000
683	A	751	PHE	0	-0.026	0.011	60.715	-0.002	-0.002	0.000	0.000	0.000	0.000
684	A	752	SER	0	-0.010	-0.007	60.873	0.003	0.003	0.000	0.000	0.000	0.000
685	A	753	THR	0	0.030	0.026	62.605	-0.002	-0.002	0.000	0.000	0.000	0.000
686	A	754	SER	0	-0.026	-0.021	61.493	-0.001	-0.001	0.000	0.000	0.000	0.000
687	A	755	ASP	-1	-0.814	-0.911	61.517	0.034	0.034	0.000	0.000	0.000	0.000
688	A	756	ILE	0	-0.039	-0.008	56.536	0.002	0.002	0.000	0.000	0.000	0.000
689	A	757	SER	0	-0.046	-0.019	55.928	-0.003	-0.003	0.000	0.000	0.000	0.000
690	A	758	ILE	0	-0.014	-0.026	54.133	0.003	0.003	0.000	0.000	0.000	0.000
691	A	759	SER	0	-0.046	-0.055	52.010	-0.003	-0.003	0.000	0.000	0.000	0.000
692	A	760	GLY	0	0.041	0.041	50.207	-0.001	-0.001	0.000	0.000	0.000	0.000
693	A	761	ASN	0	-0.039	-0.026	48.902	-0.005	-0.005	0.000	0.000	0.000	0.000
694	A	762	LEU	0	0.014	0.016	51.741	0.003	0.003	0.000	0.000	0.000	0.000
695	A	763	SER	0	-0.014	-0.013	53.079	-0.004	-0.004	0.000	0.000	0.000	0.000
696	A	764	MET	0	-0.035	-0.020	55.318	0.003	0.003	0.000	0.000	0.000	0.000
697	A	765	THR	0	-0.032	-0.030	55.917	-0.002	-0.002	0.000	0.000	0.000	0.000
698	A	766	GLY	0	0.047	0.060	58.610	0.001	0.001	0.000	0.000	0.000	0.000
699	A	767	ASN	0	0.039	0.005	56.966	0.002	0.002	0.000	0.000	0.000	0.000
700	A	768	PRO	0	-0.033	0.009	54.033	-0.002	-0.002	0.000	0.000	0.000	0.000
701	A	769	ASP	-1	-0.783	-0.897	56.209	0.045	0.045	0.000	0.000	0.000	0.000
702	A	770	LYS	1	0.886	0.923	55.382	-0.056	-0.056	0.000	0.000	0.000	0.000
703	A	771	ASP	-1	-0.925	-0.948	55.980	0.045	0.045	0.000	0.000	0.000	0.000
704	A	772	ASN	0	-0.059	-0.042	55.273	-0.001	-0.001	0.000	0.000	0.000	0.000
705	A	773	LYS	1	0.907	0.976	57.433	-0.038	-0.038	0.000	0.000	0.000	0.000
706	A	774	PHE	0	0.020	0.004	56.602	0.002	0.002	0.000	0.000	0.000	0.000
707	A	775	GLU	-1	-0.920	-0.967	61.029	0.043	0.043	0.000	0.000	0.000	0.000
708	A	776	PRO	0	-0.039	-0.021	62.211	0.001	0.001	0.000	0.000	0.000	0.000
709	A	777	SER	0	-0.024	0.006	59.967	0.001	0.001	0.000	0.000	0.000	0.000
710	A	778	ILE	0	-0.012	-0.007	63.108	-0.002	-0.002	0.000	0.000	0.000	0.000
711	A	779	TYR	0	-0.060	-0.073	58.610	0.002	0.002	0.000	0.000	0.000	0.000
712	A	780	LEU	0	0.003	0.004	63.499	-0.002	-0.002	0.000	0.000	0.000	0.000
713	A	781	ASN	0	-0.011	-0.008	62.728	0.002	0.002	0.000	0.000	0.000	0.000
714	A	782	ASP	-1	-0.880	-0.948	65.302	0.034	0.034	0.000	0.000	0.000	0.000
715	A	783	ALA	0	-0.076	-0.016	64.645	-0.001	-0.001	0.000	0.000	0.000	0.000
716	A	784	SER	0	-0.038	-0.018	64.962	-0.001	-0.001	0.000	0.000	0.000	0.000
717	A	785	TYR	0	-0.058	-0.037	60.380	0.003	0.003	0.000	0.000	0.000	0.000
718	A	786	LEU	0	0.004	0.002	60.078	-0.002	-0.002	0.000	0.000	0.000	0.000
719	A	787	LEU	0	0.004	0.006	58.321	0.002	0.002	0.000	0.000	0.000	0.000
720	A	788	THR	0	-0.031	-0.008	55.842	-0.002	-0.002	0.000	0.000	0.000	0.000
721	A	789	ASP	-1	-0.807	-0.898	52.818	0.026	0.026	0.000	0.000	0.000	0.000
722	A	790	ASP	-1	-0.840	-0.910	55.293	0.017	0.017	0.000	0.000	0.000	0.000
723	A	791	SER	0	-0.100	-0.049	51.552	0.000	0.000	0.000	0.000	0.000	0.000
724	A	792	ALA	0	0.006	0.014	53.177	0.001	0.001	0.000	0.000	0.000	0.000
725	A	793	ARG	1	0.889	0.943	52.351	-0.031	-0.031	0.000	0.000	0.000	0.000
726	A	794	LEU	0	0.003	0.018	55.432	0.002	0.002	0.000	0.000	0.000	0.000
727	A	795	VAL	0	-0.020	-0.020	55.820	-0.002	-0.002	0.000	0.000	0.000	0.000
728	A	796	ALA	0	0.025	0.021	58.292	0.002	0.002	0.000	0.000	0.000	0.000
729	A	797	LYS	1	0.986	0.983	54.408	-0.036	-0.036	0.000	0.000	0.000	0.000
730	A	798	ASN	0	0.001	-0.003	57.319	0.000	0.000	0.000	0.000	0.000	0.000
731	A	799	LYS	1	0.839	0.926	61.111	-0.028	-0.028	0.000	0.000	0.000	0.000
732	A	800	ALA	0	0.040	0.031	61.555	0.002	0.002	0.000	0.000	0.000	0.000
733	A	801	SER	0	-0.028	-0.021	63.639	-0.002	-0.002	0.000	0.000	0.000	0.000
734	A	802	VAL	0	0.005	0.004	63.089	0.002	0.002	0.000	0.000	0.000	0.000
735	A	803	VAL	0	-0.005	-0.012	65.783	-0.002	-0.002	0.000	0.000	0.000	0.000
736	A	804	GLY	0	0.079	0.039	66.419	0.002	0.002	0.000	0.000	0.000	0.000
737	A	805	ASP	-1	-0.812	-0.878	66.954	0.025	0.025	0.000	0.000	0.000	0.000
738	A	806	ILE	0	-0.022	0.001	63.181	0.001	0.001	0.000	0.000	0.000	0.000
739	A	807	HIS	0	-0.003	0.005	64.403	-0.001	-0.001	0.000	0.000	0.000	0.000
740	A	808	SER	0	0.020	-0.012	60.942	0.001	0.001	0.000	0.000	0.000	0.000
741	A	809	THR	0	-0.040	-0.025	62.235	-0.001	-0.001	0.000	0.000	0.000	0.000
742	A	810	LYS	1	0.905	0.963	57.493	-0.023	-0.023	0.000	0.000	0.000	0.000
743	A	811	SER	0	-0.067	-0.048	59.205	0.000	0.000	0.000	0.000	0.000	0.000
744	A	812	ALA	0	0.023	0.038	58.109	0.000	0.000	0.000	0.000	0.000	0.000
745	A	813	SER	0	-0.044	-0.027	57.630	-0.002	-0.002	0.000	0.000	0.000	0.000
746	A	814	ILE	0	-0.003	0.002	59.210	0.002	0.002	0.000	0.000	0.000	0.000
747	A	815	MET	0	-0.050	-0.030	55.995	-0.002	-0.002	0.000	0.000	0.000	0.000
748	A	816	PHE	0	0.006	-0.011	60.817	0.002	0.002	0.000	0.000	0.000	0.000
749	A	817	GLY	0	0.024	0.015	62.867	-0.001	-0.001	0.000	0.000	0.000	0.000
750	A	818	HIS	0	-0.058	-0.024	60.479	0.001	0.001	0.000	0.000	0.000	0.000
751	A	819	ASP	-1	-0.863	-0.945	59.222	0.019	0.019	0.000	0.000	0.000	0.000
752	A	820	GLU	-1	-0.972	-0.990	61.300	0.015	0.015	0.000	0.000	0.000	0.000
753	A	821	SER	0	-0.049	-0.023	60.375	0.000	0.000	0.000	0.000	0.000	0.000
754	A	822	ASP	-1	-0.970	-0.977	58.023	0.028	0.028	0.000	0.000	0.000	0.000
755	A	823	LEU	0	-0.015	-0.007	61.025	0.001	0.001	0.000	0.000	0.000	0.000
756	A	824	SER	0	0.060	0.047	61.008	0.001	0.001	0.000	0.000	0.000	0.000
757	A	825	GLN	0	-0.038	-0.038	62.490	0.000	0.000	0.000	0.000	0.000	0.000
758	A	826	LEU	0	0.011	-0.004	63.406	0.001	0.001	0.000	0.000	0.000	0.000
759	A	827	SER	0	-0.027	-0.010	62.519	0.000	0.000	0.000	0.000	0.000	0.000
760	A	828	ASP	-1	-0.951	-0.991	64.321	0.038	0.038	0.000	0.000	0.000	0.000
761	A	829	ARG	1	0.923	0.977	58.764	-0.048	-0.048	0.000	0.000	0.000	0.000
762	A	830	THR	0	-0.035	-0.007	66.109	0.000	0.000	0.000	0.000	0.000	0.000
763	A	831	SER	0	0.009	0.010	68.220	-0.001	-0.001	0.000	0.000	0.000	0.000
764	A	832	LYS	1	1.031	0.974	71.861	-0.026	-0.026	0.000	0.000	0.000	0.000
765	A	833	GLY	0	0.006	0.019	73.660	-0.001	-0.001	0.000	0.000	0.000	0.000
766	A	834	LEU	0	0.029	0.017	68.830	-0.001	-0.001	0.000	0.000	0.000	0.000
767	A	835	ALA	0	0.020	0.009	70.255	0.000	0.000	0.000	0.000	0.000	0.000
768	A	836	LEU	0	-0.016	-0.013	71.310	0.000	0.000	0.000	0.000	0.000	0.000
769	A	837	GLY	0	-0.027	-0.005	74.482	-0.001	-0.001	0.000	0.000	0.000	0.000
770	A	838	LEU	0	-0.008	-0.003	68.164	0.000	0.000	0.000	0.000	0.000	0.000
771	A	839	LEU	0	-0.001	-0.009	66.852	0.000	0.000	0.000	0.000	0.000	0.000
772	A	840	GLY	0	0.026	0.032	70.941	-0.001	-0.001	0.000	0.000	0.000	0.000
773	A	841	GLY	0	-0.014	-0.019	72.837	-0.001	-0.001	0.000	0.000	0.000	0.000
774	A	842	PHE	0	-0.053	-0.018	69.844	-0.001	-0.001	0.000	0.000	0.000	0.000
775	A	843	ASP	-1	-0.803	-0.916	63.455	0.031	0.031	0.000	0.000	0.000	0.000
776	A	844	VAL	0	-0.031	0.001	63.544	0.002	0.002	0.000	0.000	0.000	0.000
777	A	845	SER	0	-0.015	0.009	66.530	-0.002	-0.002	0.000	0.000	0.000	0.000
778	A	846	TYR	0	0.003	-0.019	66.249	0.001	0.001	0.000	0.000	0.000	0.000
779	A	847	ARG	1	0.892	0.949	68.717	-0.027	-0.027	0.000	0.000	0.000	0.000
780	A	848	GLY	0	0.080	0.033	70.038	0.001	0.001	0.000	0.000	0.000	0.000
781	A	849	SER	0	-0.084	-0.033	71.188	-0.001	-0.001	0.000	0.000	0.000	0.000
782	A	850	VAL	0	0.038	0.012	66.770	0.001	0.001	0.000	0.000	0.000	0.000
783	A	851	ASN	0	-0.036	-0.015	68.472	-0.002	-0.002	0.000	0.000	0.000	0.000
784	A	852	ALA	0	0.020	0.005	64.703	0.001	0.001	0.000	0.000	0.000	0.000
785	A	853	PRO	0	0.027	0.012	66.673	-0.001	-0.001	0.000	0.000	0.000	0.000
786	A	854	SER	0	-0.035	-0.021	63.947	-0.002	-0.002	0.000	0.000	0.000	0.000
787	A	855	ALA	0	-0.001	0.012	62.907	0.000	0.000	0.000	0.000	0.000	0.000
788	A	856	SER	0	-0.043	-0.006	61.224	-0.001	-0.001	0.000	0.000	0.000	0.000
789	A	857	ALA	0	0.031	0.007	62.934	0.002	0.002	0.000	0.000	0.000	0.000
790	A	858	THR	0	-0.010	-0.014	62.197	-0.002	-0.002	0.000	0.000	0.000	0.000
791	A	859	MET	0	-0.039	-0.009	64.288	0.002	0.002	0.000	0.000	0.000	0.000
792	A	860	ASN	0	0.126	0.090	64.897	-0.003	-0.003	0.000	0.000	0.000	0.000
793	A	861	ASN	0	-0.030	-0.016	66.412	0.001	0.001	0.000	0.000	0.000	0.000
794	A	862	THR	0	0.007	-0.014	66.868	0.002	0.002	0.000	0.000	0.000	0.000
795	A	863	TRP	0	-0.015	0.008	69.169	-0.001	-0.001	0.000	0.000	0.000	0.000
796	A	864	TRP	0	0.040	0.001	71.019	0.001	0.001	0.000	0.000	0.000	0.000
797	A	865	GLN	0	-0.040	-0.018	72.119	-0.001	-0.001	0.000	0.000	0.000	0.000
798	A	866	LEU	0	0.002	0.021	73.719	0.001	0.001	0.000	0.000	0.000	0.000
799	A	867	THR	0	-0.003	-0.022	74.365	0.000	0.000	0.000	0.000	0.000	0.000
800	A	868	GLY	0	-0.002	-0.006	75.757	0.000	0.000	0.000	0.000	0.000	0.000
801	A	869	ASP	-1	-0.846	-0.914	75.596	0.017	0.017	0.000	0.000	0.000	0.000
802	A	870	SER	0	-0.020	-0.021	72.377	0.001	0.001	0.000	0.000	0.000	0.000
803	A	871	ALA	0	-0.023	-0.023	71.479	-0.001	-0.001	0.000	0.000	0.000	0.000
804	A	872	LEU	0	0.001	0.006	66.516	0.001	0.001	0.000	0.000	0.000	0.000
805	A	873	LYS	1	0.979	1.011	64.927	-0.011	-0.011	0.000	0.000	0.000	0.000
806	A	874	THR	0	-0.036	-0.023	65.306	0.000	0.000	0.000	0.000	0.000	0.000
807	A	875	LEU	0	0.034	0.012	67.137	0.001	0.001	0.000	0.000	0.000	0.000
808	A	876	LYS	1	0.962	0.979	63.482	-0.015	-0.015	0.000	0.000	0.000	0.000
809	A	877	SER	0	0.012	0.019	67.963	0.001	0.001	0.000	0.000	0.000	0.000
810	A	878	THR	0	0.050	0.011	67.846	-0.001	-0.001	0.000	0.000	0.000	0.000
811	A	879	ASN	0	-0.024	-0.017	69.039	0.001	0.001	0.000	0.000	0.000	0.000
812	A	880	SER	0	-0.024	-0.027	70.041	0.002	0.002	0.000	0.000	0.000	0.000
813	A	881	MET	0	-0.034	-0.012	72.370	-0.001	-0.001	0.000	0.000	0.000	0.000
814	A	882	VAL	0	-0.004	0.012	73.390	0.001	0.001	0.000	0.000	0.000	0.000
815	A	883	TYR	0	0.003	-0.018	75.602	-0.001	-0.001	0.000	0.000	0.000	0.000
816	A	884	PHE	0	0.021	0.015	77.473	0.001	0.001	0.000	0.000	0.000	0.000
817	A	885	THR	0	0.003	0.006	77.634	0.000	0.000	0.000	0.000	0.000	0.000
818	A	886	ASP	-1	-0.908	-0.957	79.517	0.021	0.021	0.000	0.000	0.000	0.000
819	A	887	SER	0	0.027	-0.016	77.145	0.001	0.001	0.000	0.000	0.000	0.000
820	A	888	ALA	0	0.008	0.020	78.325	0.000	0.000	0.000	0.000	0.000	0.000
821	A	889	ASN	0	-0.037	-0.031	79.521	-0.001	-0.001	0.000	0.000	0.000	0.000
822	A	890	ASN	0	0.035	0.022	77.330	0.000	0.000	0.000	0.000	0.000	0.000
823	A	891	LYS	1	0.879	0.930	81.569	-0.021	-0.021	0.000	0.000	0.000	0.000
824	A	892	LYS	1	0.982	1.013	81.194	-0.020	-0.020	0.000	0.000	0.000	0.000
825	A	893	PHE	0	-0.032	-0.019	83.248	0.000	0.000	0.000	0.000	0.000	0.000
826	A	894	HIS	0	-0.015	0.001	78.683	0.000	0.000	0.000	0.000	0.000	0.000
827	A	895	THR	0	-0.004	-0.011	79.001	-0.001	-0.001	0.000	0.000	0.000	0.000
828	A	896	LEU	0	-0.030	-0.006	73.085	0.001	0.001	0.000	0.000	0.000	0.000
829	A	897	THR	0	0.023	0.013	75.184	-0.001	-0.001	0.000	0.000	0.000	0.000
830	A	898	VAL	0	0.012	-0.005	71.201	0.001	0.001	0.000	0.000	0.000	0.000
831	A	899	ASP	-1	-0.929	-0.933	70.565	0.009	0.009	0.000	0.000	0.000	0.000
832	A	900	GLU	-1	-0.970	-0.995	68.675	0.007	0.007	0.000	0.000	0.000	0.000
833	A	901	LEU	0	-0.001	-0.004	70.914	0.001	0.001	0.000	0.000	0.000	0.000
834	A	902	ALA	0	-0.006	0.010	69.708	-0.001	-0.001	0.000	0.000	0.000	0.000
835	A	903	THR	0	-0.014	-0.030	71.152	0.001	0.001	0.000	0.000	0.000	0.000
836	A	904	SER	0	-0.027	-0.006	72.465	-0.001	-0.001	0.000	0.000	0.000	0.000
837	A	905	ASN	0	0.025	0.014	73.473	0.001	0.001	0.000	0.000	0.000	0.000
838	A	906	SER	0	0.006	0.015	73.396	0.001	0.001	0.000	0.000	0.000	0.000
839	A	907	ALA	0	-0.016	-0.010	75.804	-0.001	-0.001	0.000	0.000	0.000	0.000
840	A	908	TYR	0	-0.011	-0.004	74.021	0.001	0.001	0.000	0.000	0.000	0.000
841	A	909	ALA	0	0.006	0.002	79.476	-0.001	-0.001	0.000	0.000	0.000	0.000
842	A	910	MET	0	-0.013	0.003	81.250	0.001	0.001	0.000	0.000	0.000	0.000
843	A	911	ARG	1	0.831	0.898	82.494	-0.018	-0.018	0.000	0.000	0.000	0.000
844	A	912	THR	0	-0.015	-0.042	86.279	-0.001	-0.001	0.000	0.000	0.000	0.000
845	A	913	ASN	0	0.029	0.012	89.677	0.000	0.000	0.000	0.000	0.000	0.000
846	A	914	LEU	0	-0.089	-0.037	92.716	0.000	0.000	0.000	0.000	0.000	0.000
847	A	915	SER	0	-0.012	0.000	93.533	0.000	0.000	0.000	0.000	0.000	0.000
848	A	916	GLU	-1	-0.901	-0.938	89.119	0.013	0.013	0.000	0.000	0.000	0.000
849	A	917	SER	0	-0.001	-0.011	86.665	0.000	0.000	0.000	0.000	0.000	0.000
850	A	918	ASP	-1	-0.718	-0.810	82.031	0.016	0.016	0.000	0.000	0.000	0.000
851	A	919	LYS	1	0.836	0.930	82.185	-0.013	-0.013	0.000	0.000	0.000	0.000
852	A	920	LEU	0	-0.006	0.006	76.651	0.001	0.001	0.000	0.000	0.000	0.000
853	A	921	GLU	-1	-0.925	-0.974	78.690	0.010	0.010	0.000	0.000	0.000	0.000
854	A	922	VAL	0	-0.032	-0.019	75.380	0.001	0.001	0.000	0.000	0.000	0.000
855	A	923	LYS	1	0.848	0.882	73.541	-0.011	-0.011	0.000	0.000	0.000	0.000
856	A	924	LYS	1	0.897	0.944	71.455	-0.007	-0.007	0.000	0.000	0.000	0.000
857	A	925	HIS	0	0.045	0.038	72.143	-0.001	-0.001	0.000	0.000	0.000	0.000
858	A	926	LEU	0	0.031	0.022	74.419	0.001	0.001	0.000	0.000	0.000	0.000
859	A	927	SER	0	-0.031	-0.004	73.066	-0.001	-0.001	0.000	0.000	0.000	0.000
860	A	928	GLY	0	0.040	0.007	74.610	0.001	0.001	0.000	0.000	0.000	0.000
861	A	929	GLU	-1	-0.926	-0.967	75.277	0.007	0.007	0.000	0.000	0.000	0.000
862	A	930	ASN	0	-0.031	-0.031	76.816	0.001	0.001	0.000	0.000	0.000	0.000
863	A	931	ASN	0	0.065	0.033	76.550	0.002	0.002	0.000	0.000	0.000	0.000
864	A	932	ILE	0	-0.028	-0.002	79.635	-0.001	-0.001	0.000	0.000	0.000	0.000
865	A	933	LEU	0	-0.010	-0.013	81.465	0.001	0.001	0.000	0.000	0.000	0.000
866	A	934	LEU	0	-0.026	-0.018	81.604	0.000	0.000	0.000	0.000	0.000	0.000
867	A	935	VAL	0	-0.005	-0.018	84.901	0.000	0.000	0.000	0.000	0.000	0.000
868	A	936	ASP	-1	-0.885	-0.936	85.912	0.017	0.017	0.000	0.000	0.000	0.000
869	A	937	PHE	0	-0.011	-0.029	87.869	0.000	0.000	0.000	0.000	0.000	0.000
870	A	938	LEU	0	0.003	0.000	87.577	0.000	0.000	0.000	0.000	0.000	0.000
871	A	939	GLN	0	-0.048	-0.024	91.594	0.000	0.000	0.000	0.000	0.000	0.000
872	A	940	LYS	1	0.985	0.983	95.367	-0.014	-0.014	0.000	0.000	0.000	0.000
873	A	941	PRO	0	-0.004	0.011	96.083	0.000	0.000	0.000	0.000	0.000	0.000
874	A	942	THR	0	-0.027	-0.047	98.857	0.000	0.000	0.000	0.000	0.000	0.000
875	A	943	PRO	0	-0.012	-0.017	102.194	0.000	0.000	0.000	0.000	0.000	0.000
876	A	944	GLU	-1	-0.890	-0.902	104.262	0.009	0.009	0.000	0.000	0.000	0.000
877	A	945	LYS	1	0.894	0.949	98.624	-0.011	-0.011	0.000	0.000	0.000	0.000
878	A	946	GLN	0	0.025	0.011	100.250	0.000	0.000	0.000	0.000	0.000	0.000
879	A	947	LEU	0	-0.023	-0.005	95.641	0.000	0.000	0.000	0.000	0.000	0.000
880	A	948	ASN	0	0.029	-0.012	94.664	0.000	0.000	0.000	0.000	0.000	0.000
881	A	949	ILE	0	-0.015	0.024	89.661	0.000	0.000	0.000	0.000	0.000	0.000
882	A	950	GLU	-1	-0.889	-0.933	85.889	0.010	0.010	0.000	0.000	0.000	0.000
883	A	951	LEU	0	-0.024	-0.025	85.223	0.001	0.001	0.000	0.000	0.000	0.000
884	A	952	VAL	0	0.029	0.015	81.190	0.001	0.001	0.000	0.000	0.000	0.000
885	A	953	SER	0	0.006	0.018	82.234	-0.001	-0.001	0.000	0.000	0.000	0.000
886	A	954	ALA	0	0.028	0.015	80.340	0.001	0.001	0.000	0.000	0.000	0.000
887	A	955	PRO	0	0.062	0.032	78.136	0.000	0.000	0.000	0.000	0.000	0.000
888	A	956	LYS	1	0.928	0.967	81.446	-0.003	-0.003	0.000	0.000	0.000	0.000
889	A	957	ASP	-1	-0.959	-0.977	79.070	0.004	0.004	0.000	0.000	0.000	0.000
890	A	958	THR	0	-0.025	-0.008	79.781	0.000	0.000	0.000	0.000	0.000	0.000
891	A	959	ASN	0	0.007	0.004	80.842	0.000	0.000	0.000	0.000	0.000	0.000
892	A	960	GLU	-1	-0.874	-0.952	82.634	0.007	0.007	0.000	0.000	0.000	0.000
893	A	961	ASN	0	-0.040	-0.026	82.239	0.001	0.001	0.000	0.000	0.000	0.000
894	A	962	VAL	0	-0.032	0.001	78.306	0.000	0.000	0.000	0.000	0.000	0.000
895	A	963	PHE	0	0.009	-0.002	78.145	0.001	0.001	0.000	0.000	0.000	0.000
896	A	964	LYS	1	0.960	0.979	82.720	-0.009	-0.009	0.000	0.000	0.000	0.000
897	A	965	ALA	0	0.011	0.010	85.154	0.001	0.001	0.000	0.000	0.000	0.000
898	A	966	SER	0	-0.040	-0.025	85.076	0.000	0.000	0.000	0.000	0.000	0.000
899	A	967	LYS	1	0.897	0.925	86.857	-0.010	-0.010	0.000	0.000	0.000	0.000
900	A	968	GLN	0	-0.055	-0.024	83.017	0.001	0.001	0.000	0.000	0.000	0.000
901	A	969	THR	0	-0.024	-0.005	88.195	0.000	0.000	0.000	0.000	0.000	0.000
902	A	970	ILE	0	0.009	-0.002	81.984	0.001	0.001	0.000	0.000	0.000	0.000
903	A	971	GLY	0	0.057	0.042	86.119	0.000	0.000	0.000	0.000	0.000	0.000
904	A	972	PHE	0	-0.071	-0.046	86.809	0.000	0.000	0.000	0.000	0.000	0.000
905	A	973	SER	0	0.002	0.007	90.602	0.000	0.000	0.000	0.000	0.000	0.000
906	A	974	ASP	-1	-0.938	-0.963	92.200	0.013	0.013	0.000	0.000	0.000	0.000
907	A	975	VAL	0	-0.027	-0.024	93.534	-0.001	-0.001	0.000	0.000	0.000	0.000
908	A	976	THR	0	0.005	0.006	91.233	0.000	0.000	0.000	0.000	0.000	0.000
909	A	977	PRO	0	-0.005	-0.001	88.702	0.000	0.000	0.000	0.000	0.000	0.000
910	A	978	VAL	0	-0.049	-0.003	91.967	0.000	0.000	0.000	0.000	0.000	0.000
911	A	979	ILE	0	0.014	-0.005	87.951	0.000	0.000	0.000	0.000	0.000	0.000
912	A	980	THR	0	-0.052	-0.039	91.267	0.000	0.000	0.000	0.000	0.000	0.000
913	A	981	THR	0	0.063	0.033	87.963	0.000	0.000	0.000	0.000	0.000	0.000
914	A	982	ARG	1	0.870	0.927	89.828	-0.008	-0.008	0.000	0.000	0.000	0.000
915	A	983	GLU	-1	-0.871	-0.936	88.425	0.004	0.004	0.000	0.000	0.000	0.000
916	A	984	THR	0	-0.092	-0.036	88.787	0.000	0.000	0.000	0.000	0.000	0.000
917	A	985	ASP	-1	-0.929	-0.988	89.799	0.004	0.004	0.000	0.000	0.000	0.000
918	A	986	ASP	-1	-0.943	-0.968	84.067	0.004	0.004	0.000	0.000	0.000	0.000
919	A	987	LYS	1	0.903	0.949	83.104	-0.008	-0.008	0.000	0.000	0.000	0.000
920	A	988	ILE	0	0.005	0.029	83.672	0.000	0.000	0.000	0.000	0.000	0.000
921	A	989	THR	0	-0.059	-0.030	85.040	0.000	0.000	0.000	0.000	0.000	0.000
922	A	990	TRP	0	0.033	0.029	82.595	0.000	0.000	0.000	0.000	0.000	0.000
923	A	991	SER	0	-0.002	-0.014	87.609	0.000	0.000	0.000	0.000	0.000	0.000
924	A	992	LEU	0	-0.014	-0.005	90.418	0.000	0.000	0.000	0.000	0.000	0.000
925	A	993	THR	0	-0.034	-0.018	91.918	0.000	0.000	0.000	0.000	0.000	0.000
926	A	994	GLY	0	-0.018	-0.012	95.022	0.000	0.000	0.000	0.000	0.000	0.000
927	A	995	TYR	0	-0.026	-0.029	94.950	0.000	0.000	0.000	0.000	0.000	0.000
928	A	996	ASN	0	0.011	0.011	94.705	-0.001	-0.001	0.000	0.000	0.000	0.000
929	A	997	THR	0	0.015	0.006	96.174	0.000	0.000	0.000	0.000	0.000	0.000
930	A	998	VAL	0	-0.005	0.009	93.668	0.000	0.000	0.000	0.000	0.000	0.000
931	A	999	ALA	0	-0.009	-0.001	97.010	0.000	0.000	0.000	0.000	0.000	0.000
932	A	1012	SER	0	-0.019	-0.031	77.930	0.000	0.000	0.000	0.000	0.000	0.000
933	A	1013	VAL	0	-0.002	0.007	80.395	0.000	0.000	0.000	0.000	0.000	0.000
934	A	1014	ASP	-1	-0.882	-0.943	76.964	0.022	0.022	0.000	0.000	0.000	0.000
935	A	1015	TYR	0	0.041	-0.007	76.513	-0.001	-0.001	0.000	0.000	0.000	0.000
936	A	1016	LYS	1	0.919	0.982	71.423	-0.021	-0.021	0.000	0.000	0.000	0.000
937	A	1017	ALA	0	-0.006	0.001	75.860	-0.001	-0.001	0.000	0.000	0.000	0.000
938	A	1018	PHE	0	0.013	0.007	79.038	-0.001	-0.001	0.000	0.000	0.000	0.000
939	A	1019	LEU	0	-0.020	-0.010	74.306	-0.001	-0.001	0.000	0.000	0.000	0.000
940	A	1020	ASN	0	-0.026	-0.008	78.372	-0.001	-0.001	0.000	0.000	0.000	0.000
941	A	1021	GLU	-1	-0.834	-0.888	80.013	0.012	0.012	0.000	0.000	0.000	0.000
942	A	1022	VAL	0	-0.067	-0.018	77.744	-0.001	-0.001	0.000	0.000	0.000	0.000
943	A	1023	ASN	0	-0.012	-0.003	75.890	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:56:SER)