FMO DATABASE

FMODB ID: N1Y5Q

Calculation Name: 4CJA-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4CJA

Chain ID: A

ChEMBL ID:

UniProt ID: E5AV36

Base Structure: X-ray

Registration Date: 2023-06-20

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptAll
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	753
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-15257779.317568
FMO2-HF: Nuclear repulsion	14985623.289308
FMO2-HF: Total energy	-272156.028261
FMO2-MP2: Total energy	-272957.571835

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:15:LEU)

Summations of interaction energy for fragment #1(A:15:LEU)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-16.156	-8.45	5.668	-4.163	-9.212	-0.027

Interaction energy analysis for fragmet #1(A:15:LEU)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.002 / q_NPA : -0.010

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	17	LEU	0	0.002	0.019	3.025	-1.150	0.885	0.108	-0.701	-1.442	0.003
4	A	18	SER	0	0.028	-0.011	5.413	0.080	0.080	0.000	0.000	0.000	0.000
5	A	19	PRO	0	0.046	0.002	9.037	-0.145	-0.145	0.000	0.000	0.000	0.000
6	A	20	LEU	0	0.039	0.030	11.474	-0.046	-0.046	0.000	0.000	0.000	0.000
7	A	21	GLU	-1	-0.795	-0.869	6.792	0.501	0.501	0.000	0.000	0.000	0.000
8	A	22	ARG	1	0.854	0.901	8.289	0.311	0.311	0.000	0.000	0.000	0.000
9	A	23	SER	0	0.044	0.011	9.252	-0.021	-0.021	0.000	0.000	0.000	0.000
10	A	24	LYS	1	0.853	0.933	11.420	-0.026	-0.026	0.000	0.000	0.000	0.000
11	A	25	ILE	0	0.006	0.020	6.581	-0.006	-0.006	0.000	0.000	0.000	0.000
12	A	26	GLU	-1	-0.822	-0.895	11.147	-0.391	-0.391	0.000	0.000	0.000	0.000
13	A	27	LYS	1	0.880	0.952	13.721	0.142	0.142	0.000	0.000	0.000	0.000
14	A	28	GLN	0	0.024	0.029	13.889	0.054	0.054	0.000	0.000	0.000	0.000
15	A	29	TYR	0	0.024	0.010	16.969	-0.026	-0.026	0.000	0.000	0.000	0.000
16	A	30	GLY	0	0.038	0.005	16.503	0.005	0.005	0.000	0.000	0.000	0.000
17	A	31	GLY	0	0.005	0.007	13.222	-0.061	-0.061	0.000	0.000	0.000	0.000
18	A	32	ALA	0	0.005	-0.003	12.025	-0.094	-0.094	0.000	0.000	0.000	0.000
19	A	33	THR	0	0.021	0.001	12.229	-0.086	-0.086	0.000	0.000	0.000	0.000
20	A	34	THR	0	-0.001	0.004	8.964	-0.087	-0.087	0.000	0.000	0.000	0.000
21	A	35	LEU	0	0.010	0.008	6.828	-0.177	-0.177	0.000	0.000	0.000	0.000
22	A	36	ALA	0	0.018	0.019	7.317	-0.383	-0.383	0.000	0.000	0.000	0.000
23	A	37	PHE	0	0.016	0.013	8.215	-0.206	-0.206	0.000	0.000	0.000	0.000
24	A	38	ILE	0	0.010	-0.003	2.917	-0.653	-0.150	0.200	-0.115	-0.588	0.000
25	A	39	SER	0	-0.058	-0.043	4.210	-1.244	-0.998	0.000	-0.058	-0.188	0.000
26	A	40	ASN	0	-0.063	-0.025	5.437	-0.052	-0.052	0.000	0.000	0.000	0.000
27	A	41	LYS	1	0.820	0.894	7.100	0.696	0.696	0.000	0.000	0.000	0.000
28	A	42	GLN	0	-0.034	-0.020	2.201	-8.214	-5.971	4.815	-2.699	-4.360	-0.030
29	A	43	GLN	0	0.033	0.005	4.236	0.081	0.273	-0.001	-0.005	-0.186	0.000
30	A	44	GLU	-1	-0.790	-0.868	6.968	-0.499	-0.499	0.000	0.000	0.000	0.000
31	A	45	LEU	0	0.005	-0.008	4.668	0.107	0.183	-0.001	-0.004	-0.071	0.000
32	A	46	ALA	0	0.004	-0.002	4.612	0.151	0.240	-0.001	-0.007	-0.081	0.000
33	A	47	GLN	0	-0.066	-0.026	5.980	0.400	0.400	0.000	0.000	0.000	0.000
34	A	48	ILE	0	-0.062	-0.026	8.732	0.122	0.122	0.000	0.000	0.000	0.000
35	A	49	LEU	0	-0.054	-0.019	6.642	0.110	0.110	0.000	0.000	0.000	0.000
36	A	50	SER	0	0.020	-0.011	6.292	-0.100	-0.100	0.000	0.000	0.000	0.000
37	A	51	ARG	1	0.838	0.874	2.920	-3.907	-2.315	0.251	-0.390	-1.452	0.001
38	A	52	ALA	0	0.015	0.008	4.514	-0.249	-0.203	-0.001	-0.009	-0.037	0.000
39	A	53	ASP	-1	-0.779	-0.867	8.087	-0.134	-0.134	0.000	0.000	0.000	0.000
40	A	54	ILE	0	0.000	0.001	2.897	-0.821	-0.137	0.298	-0.175	-0.807	-0.001
41	A	55	LEU	0	-0.019	-0.016	4.912	-0.071	-0.071	0.000	0.000	0.000	0.000
42	A	56	LYS	1	0.962	0.994	7.069	0.055	0.055	0.000	0.000	0.000	0.000
43	A	57	ILE	0	0.009	0.006	9.497	-0.002	-0.002	0.000	0.000	0.000	0.000
44	A	58	ALA	0	-0.024	-0.020	7.558	-0.007	-0.007	0.000	0.000	0.000	0.000
45	A	59	SER	0	-0.115	-0.060	9.653	0.014	0.014	0.000	0.000	0.000	0.000
46	A	60	TYR	0	0.002	-0.003	12.532	0.049	0.049	0.000	0.000	0.000	0.000
47	A	61	ASP	-1	-0.831	-0.922	14.375	-0.243	-0.243	0.000	0.000	0.000	0.000
48	A	62	CYS	0	-0.055	-0.028	15.850	-0.021	-0.021	0.000	0.000	0.000	0.000
49	A	63	ALA	0	0.038	0.022	11.321	-0.017	-0.017	0.000	0.000	0.000	0.000
50	A	64	ALA	0	0.000	0.003	11.141	-0.035	-0.035	0.000	0.000	0.000	0.000
51	A	65	HIS	0	0.046	0.019	12.197	-0.045	-0.045	0.000	0.000	0.000	0.000
52	A	66	ALA	0	0.000	0.006	13.581	0.020	0.020	0.000	0.000	0.000	0.000
53	A	67	LEU	0	-0.013	-0.010	7.614	0.003	0.003	0.000	0.000	0.000	0.000
54	A	68	GLN	0	0.001	-0.007	11.158	-0.100	-0.100	0.000	0.000	0.000	0.000
55	A	69	ALA	0	0.053	0.034	13.620	0.025	0.025	0.000	0.000	0.000	0.000
56	A	70	VAL	0	-0.033	-0.030	10.959	0.041	0.041	0.000	0.000	0.000	0.000
57	A	71	LEU	0	-0.039	-0.019	9.704	0.023	0.023	0.000	0.000	0.000	0.000
58	A	72	ASP	-1	-0.853	-0.917	13.412	-0.356	-0.356	0.000	0.000	0.000	0.000
59	A	73	CYS	0	-0.045	-0.028	16.909	0.042	0.042	0.000	0.000	0.000	0.000
60	A	74	GLY	0	0.044	0.029	15.421	0.027	0.027	0.000	0.000	0.000	0.000
61	A	75	PRO	0	0.016	0.015	15.021	0.043	0.043	0.000	0.000	0.000	0.000
62	A	76	MET	0	-0.032	-0.016	17.401	0.035	0.035	0.000	0.000	0.000	0.000
63	A	77	LEU	0	0.029	0.011	19.524	0.020	0.020	0.000	0.000	0.000	0.000
64	A	78	GLY	0	0.055	0.030	19.273	0.017	0.017	0.000	0.000	0.000	0.000
65	A	79	LYS	1	0.847	0.902	20.211	0.185	0.185	0.000	0.000	0.000	0.000
66	A	80	ARG	1	0.823	0.918	23.281	0.130	0.130	0.000	0.000	0.000	0.000
67	A	81	GLY	0	0.012	0.018	24.115	0.007	0.007	0.000	0.000	0.000	0.000
68	A	82	PHE	0	-0.013	0.000	21.191	0.008	0.008	0.000	0.000	0.000	0.000
69	A	83	SER	0	0.005	-0.015	19.815	-0.005	-0.005	0.000	0.000	0.000	0.000
70	A	84	GLN	0	0.042	0.014	11.372	-0.009	-0.009	0.000	0.000	0.000	0.000
71	A	85	SER	0	0.021	-0.013	15.442	-0.012	-0.012	0.000	0.000	0.000	0.000
72	A	86	ASP	-1	-0.826	-0.874	17.076	-0.062	-0.062	0.000	0.000	0.000	0.000
73	A	87	ILE	0	0.024	0.008	14.454	-0.010	-0.010	0.000	0.000	0.000	0.000
74	A	88	VAL	0	-0.003	-0.002	12.034	-0.022	-0.022	0.000	0.000	0.000	0.000
75	A	89	LYS	1	0.796	0.889	14.692	0.048	0.048	0.000	0.000	0.000	0.000
76	A	90	ILE	0	-0.019	0.008	17.956	0.001	0.001	0.000	0.000	0.000	0.000
77	A	91	ALA	0	0.020	0.011	14.012	-0.007	-0.007	0.000	0.000	0.000	0.000
78	A	92	GLY	0	-0.020	-0.006	14.147	-0.025	-0.025	0.000	0.000	0.000	0.000
79	A	93	ASN	0	0.014	-0.001	14.798	0.033	0.033	0.000	0.000	0.000	0.000
80	A	94	ILE	0	0.033	0.021	17.989	-0.025	-0.025	0.000	0.000	0.000	0.000
81	A	95	GLY	0	0.006	0.000	19.748	0.014	0.014	0.000	0.000	0.000	0.000
82	A	96	GLY	0	0.018	0.007	17.902	0.003	0.003	0.000	0.000	0.000	0.000
83	A	97	ALA	0	-0.015	-0.014	17.337	0.000	0.000	0.000	0.000	0.000	0.000
84	A	98	GLN	0	0.050	0.033	18.544	0.017	0.017	0.000	0.000	0.000	0.000
85	A	99	ALA	0	-0.024	-0.003	21.168	0.012	0.012	0.000	0.000	0.000	0.000
86	A	100	LEU	0	0.022	0.004	16.379	0.012	0.012	0.000	0.000	0.000	0.000
87	A	101	GLN	0	-0.026	-0.032	20.436	-0.009	-0.009	0.000	0.000	0.000	0.000
88	A	102	ALA	0	0.012	0.007	22.410	0.010	0.010	0.000	0.000	0.000	0.000
89	A	103	VAL	0	0.000	0.008	22.458	0.013	0.013	0.000	0.000	0.000	0.000
90	A	104	LEU	0	-0.040	-0.040	21.685	0.011	0.011	0.000	0.000	0.000	0.000
91	A	105	ASP	-1	-0.933	-0.933	25.047	-0.113	-0.113	0.000	0.000	0.000	0.000
92	A	106	LEU	0	0.026	0.012	28.110	0.009	0.009	0.000	0.000	0.000	0.000
93	A	107	GLU	-1	-0.743	-0.861	26.095	-0.088	-0.088	0.000	0.000	0.000	0.000
94	A	108	SER	0	-0.014	-0.001	28.924	0.010	0.010	0.000	0.000	0.000	0.000
95	A	109	MET	0	-0.003	0.009	31.762	0.007	0.007	0.000	0.000	0.000	0.000
96	A	110	LEU	0	0.057	0.033	30.140	0.005	0.005	0.000	0.000	0.000	0.000
97	A	111	GLY	0	0.013	0.000	32.506	0.005	0.005	0.000	0.000	0.000	0.000
98	A	112	LYS	1	0.827	0.891	33.680	0.079	0.079	0.000	0.000	0.000	0.000
99	A	113	ARG	1	0.827	0.908	36.512	0.061	0.061	0.000	0.000	0.000	0.000
100	A	114	GLY	0	0.013	0.029	36.750	0.003	0.003	0.000	0.000	0.000	0.000
101	A	115	PHE	0	-0.004	0.005	32.451	0.003	0.003	0.000	0.000	0.000	0.000
102	A	116	SER	0	-0.001	-0.002	30.646	-0.004	-0.004	0.000	0.000	0.000	0.000
103	A	117	ARG	1	0.843	0.901	25.908	0.075	0.075	0.000	0.000	0.000	0.000
104	A	118	ASP	-1	-0.795	-0.898	26.255	-0.043	-0.043	0.000	0.000	0.000	0.000
105	A	119	ASP	-1	-0.820	-0.912	27.317	-0.043	-0.043	0.000	0.000	0.000	0.000
106	A	120	ILE	0	-0.001	0.000	25.972	-0.003	-0.003	0.000	0.000	0.000	0.000
107	A	121	ALA	0	-0.011	-0.013	23.273	-0.008	-0.008	0.000	0.000	0.000	0.000
108	A	122	LYS	1	0.757	0.866	24.549	0.034	0.034	0.000	0.000	0.000	0.000
109	A	123	MET	0	-0.031	0.008	27.016	-0.002	-0.002	0.000	0.000	0.000	0.000
110	A	124	ALA	0	0.035	0.018	23.383	-0.004	-0.004	0.000	0.000	0.000	0.000
111	A	125	GLY	0	-0.011	0.002	21.651	-0.013	-0.013	0.000	0.000	0.000	0.000
112	A	126	ASN	0	-0.066	-0.041	22.586	0.011	0.011	0.000	0.000	0.000	0.000
113	A	127	ILE	0	0.042	0.019	22.624	-0.008	-0.008	0.000	0.000	0.000	0.000
114	A	128	GLY	0	0.028	0.001	24.422	0.010	0.010	0.000	0.000	0.000	0.000
115	A	129	GLY	0	-0.001	0.010	24.894	0.002	0.002	0.000	0.000	0.000	0.000
116	A	130	ALA	0	0.007	-0.010	25.180	0.004	0.004	0.000	0.000	0.000	0.000
117	A	131	GLN	0	0.002	-0.012	26.763	0.009	0.009	0.000	0.000	0.000	0.000
118	A	132	THR	0	-0.072	-0.027	28.460	0.006	0.006	0.000	0.000	0.000	0.000
119	A	133	LEU	0	0.014	0.011	25.896	0.007	0.007	0.000	0.000	0.000	0.000
120	A	134	GLN	0	0.001	-0.006	30.412	0.006	0.006	0.000	0.000	0.000	0.000
121	A	135	ALA	0	0.032	0.027	32.787	0.004	0.004	0.000	0.000	0.000	0.000
122	A	136	VAL	0	-0.009	-0.016	33.412	0.005	0.005	0.000	0.000	0.000	0.000
123	A	137	LEU	0	-0.036	-0.017	33.441	0.004	0.004	0.000	0.000	0.000	0.000
124	A	138	ASP	-1	-0.840	-0.900	36.077	-0.067	-0.067	0.000	0.000	0.000	0.000
125	A	139	LEU	0	-0.028	-0.022	38.580	0.005	0.005	0.000	0.000	0.000	0.000
126	A	140	GLU	-1	-0.847	-0.919	38.575	-0.045	-0.045	0.000	0.000	0.000	0.000
127	A	141	SER	0	-0.011	-0.004	40.342	0.004	0.004	0.000	0.000	0.000	0.000
128	A	142	ALA	0	0.039	0.010	43.151	0.003	0.003	0.000	0.000	0.000	0.000
129	A	143	PHE	0	-0.013	-0.017	40.390	0.002	0.002	0.000	0.000	0.000	0.000
130	A	144	ARG	1	0.855	0.917	43.787	0.039	0.039	0.000	0.000	0.000	0.000
131	A	145	GLU	-1	-0.894	-0.924	45.457	-0.032	-0.032	0.000	0.000	0.000	0.000
132	A	146	ARG	1	0.765	0.872	46.358	0.034	0.034	0.000	0.000	0.000	0.000
133	A	147	GLY	0	-0.038	-0.009	48.143	0.001	0.001	0.000	0.000	0.000	0.000
134	A	148	PHE	0	-0.049	-0.030	42.464	0.002	0.002	0.000	0.000	0.000	0.000
135	A	149	SER	0	-0.024	-0.032	41.573	-0.001	-0.001	0.000	0.000	0.000	0.000
136	A	150	GLN	0	0.013	-0.023	37.295	-0.002	-0.002	0.000	0.000	0.000	0.000
137	A	151	ALA	0	0.026	0.007	36.870	-0.003	-0.003	0.000	0.000	0.000	0.000
138	A	152	ASP	-1	-0.833	-0.893	36.764	-0.028	-0.028	0.000	0.000	0.000	0.000
139	A	153	ILE	0	0.023	0.021	35.654	-0.002	-0.002	0.000	0.000	0.000	0.000
140	A	154	VAL	0	-0.011	-0.007	31.556	-0.003	-0.003	0.000	0.000	0.000	0.000
141	A	155	LYS	1	0.897	0.948	32.648	0.022	0.022	0.000	0.000	0.000	0.000
142	A	156	ILE	0	-0.026	-0.014	34.167	0.001	0.001	0.000	0.000	0.000	0.000
143	A	157	ALA	0	0.013	0.006	31.750	-0.003	-0.003	0.000	0.000	0.000	0.000
144	A	158	GLY	0	-0.012	0.023	28.990	-0.006	-0.006	0.000	0.000	0.000	0.000
145	A	159	ASN	0	-0.036	-0.035	28.821	0.006	0.006	0.000	0.000	0.000	0.000
146	A	160	ASN	0	0.003	0.000	25.305	-0.013	-0.013	0.000	0.000	0.000	0.000
147	A	161	GLY	0	0.037	0.019	28.072	0.005	0.005	0.000	0.000	0.000	0.000
148	A	162	GLY	0	0.025	0.013	30.434	0.003	0.003	0.000	0.000	0.000	0.000
149	A	163	ALA	0	0.031	0.007	32.023	0.004	0.004	0.000	0.000	0.000	0.000
150	A	164	GLN	0	0.018	0.011	33.904	0.006	0.006	0.000	0.000	0.000	0.000
151	A	165	ALA	0	-0.005	0.016	35.350	0.004	0.004	0.000	0.000	0.000	0.000
152	A	166	LEU	0	-0.007	-0.005	34.831	0.004	0.004	0.000	0.000	0.000	0.000
153	A	167	TYR	0	0.000	-0.018	37.509	0.004	0.004	0.000	0.000	0.000	0.000
154	A	168	SER	0	-0.018	-0.010	39.606	0.002	0.002	0.000	0.000	0.000	0.000
155	A	169	VAL	0	-0.025	-0.022	40.460	0.003	0.003	0.000	0.000	0.000	0.000
156	A	170	LEU	0	-0.036	-0.018	42.773	0.003	0.003	0.000	0.000	0.000	0.000
157	A	171	ASP	-1	-0.851	-0.899	44.891	-0.038	-0.038	0.000	0.000	0.000	0.000
158	A	172	VAL	0	0.038	0.009	44.857	0.002	0.002	0.000	0.000	0.000	0.000
159	A	173	GLU	-1	-0.837	-0.904	46.646	-0.027	-0.027	0.000	0.000	0.000	0.000
160	A	174	PRO	0	0.011	0.011	48.412	0.002	0.002	0.000	0.000	0.000	0.000
161	A	175	THR	0	-0.049	-0.029	51.193	0.002	0.002	0.000	0.000	0.000	0.000
162	A	176	LEU	0	-0.017	-0.021	47.463	0.002	0.002	0.000	0.000	0.000	0.000
163	A	177	GLY	0	0.054	0.034	51.151	0.001	0.001	0.000	0.000	0.000	0.000
164	A	178	LYS	1	0.879	0.948	51.721	0.024	0.024	0.000	0.000	0.000	0.000
165	A	179	ARG	1	0.869	0.931	53.877	0.023	0.023	0.000	0.000	0.000	0.000
166	A	180	GLY	0	0.028	0.024	54.410	0.001	0.001	0.000	0.000	0.000	0.000
167	A	181	PHE	0	-0.012	-0.004	48.688	0.001	0.001	0.000	0.000	0.000	0.000
168	A	182	SER	0	0.019	0.012	48.254	-0.001	-0.001	0.000	0.000	0.000	0.000
169	A	183	ARG	1	0.978	0.992	45.511	0.024	0.024	0.000	0.000	0.000	0.000
170	A	184	ALA	0	0.057	0.019	44.079	-0.002	-0.002	0.000	0.000	0.000	0.000
171	A	185	ASP	-1	-0.831	-0.912	43.496	-0.016	-0.016	0.000	0.000	0.000	0.000
172	A	186	ILE	0	0.036	0.016	43.351	-0.001	-0.001	0.000	0.000	0.000	0.000
173	A	187	VAL	0	0.011	0.011	39.125	-0.002	-0.002	0.000	0.000	0.000	0.000
174	A	188	LYS	1	0.798	0.889	39.214	0.013	0.013	0.000	0.000	0.000	0.000
175	A	189	ILE	0	-0.022	-0.017	39.229	0.000	0.000	0.000	0.000	0.000	0.000
176	A	190	ALA	0	0.014	0.007	38.615	-0.002	-0.002	0.000	0.000	0.000	0.000
177	A	191	GLY	0	0.003	0.024	35.168	-0.004	-0.004	0.000	0.000	0.000	0.000
178	A	192	ASN	0	-0.046	-0.036	33.389	0.004	0.004	0.000	0.000	0.000	0.000
179	A	193	THR	0	0.015	0.006	29.223	-0.007	-0.007	0.000	0.000	0.000	0.000
180	A	194	GLY	0	0.003	-0.004	31.760	0.003	0.003	0.000	0.000	0.000	0.000
181	A	195	GLY	0	0.029	0.016	34.473	0.002	0.002	0.000	0.000	0.000	0.000
182	A	196	ALA	0	0.007	-0.003	36.694	0.002	0.002	0.000	0.000	0.000	0.000
183	A	197	GLN	0	0.028	0.020	37.577	0.004	0.004	0.000	0.000	0.000	0.000
184	A	198	ALA	0	-0.022	0.011	39.144	0.003	0.003	0.000	0.000	0.000	0.000
185	A	199	LEU	0	-0.014	-0.008	40.250	0.003	0.003	0.000	0.000	0.000	0.000
186	A	200	HIS	0	0.031	-0.001	42.867	0.002	0.002	0.000	0.000	0.000	0.000
187	A	201	THR	0	-0.033	-0.017	42.832	0.001	0.001	0.000	0.000	0.000	0.000
188	A	202	VAL	0	-0.023	-0.027	44.664	0.002	0.002	0.000	0.000	0.000	0.000
189	A	203	LEU	0	-0.054	-0.028	46.967	0.002	0.002	0.000	0.000	0.000	0.000
190	A	204	ASP	-1	-0.849	-0.910	48.726	-0.030	-0.030	0.000	0.000	0.000	0.000
191	A	205	LEU	0	-0.034	-0.021	47.248	0.002	0.002	0.000	0.000	0.000	0.000
192	A	206	GLU	-1	-0.828	-0.886	50.370	-0.018	-0.018	0.000	0.000	0.000	0.000
193	A	207	PRO	0	-0.004	0.001	51.848	0.002	0.002	0.000	0.000	0.000	0.000
194	A	208	ALA	0	0.007	-0.001	53.585	0.001	0.001	0.000	0.000	0.000	0.000
195	A	209	LEU	0	0.022	0.001	49.019	0.001	0.001	0.000	0.000	0.000	0.000
196	A	210	GLY	0	0.032	0.017	53.623	0.001	0.001	0.000	0.000	0.000	0.000
197	A	211	LYS	1	0.836	0.916	56.231	0.018	0.018	0.000	0.000	0.000	0.000
198	A	212	ARG	1	0.881	0.944	54.051	0.016	0.016	0.000	0.000	0.000	0.000
199	A	213	GLY	0	0.017	0.022	57.524	0.001	0.001	0.000	0.000	0.000	0.000
200	A	214	PHE	0	-0.050	-0.013	51.949	0.001	0.001	0.000	0.000	0.000	0.000
201	A	215	SER	0	-0.011	-0.033	52.551	-0.001	-0.001	0.000	0.000	0.000	0.000
202	A	216	ARG	1	0.830	0.881	51.937	0.017	0.017	0.000	0.000	0.000	0.000
203	A	217	ILE	0	0.052	0.023	48.469	-0.001	-0.001	0.000	0.000	0.000	0.000
204	A	218	ASP	-1	-0.824	-0.874	47.893	-0.008	-0.008	0.000	0.000	0.000	0.000
205	A	219	ILE	0	0.023	0.014	47.185	-0.001	-0.001	0.000	0.000	0.000	0.000
206	A	220	VAL	0	-0.005	0.002	44.257	-0.001	-0.001	0.000	0.000	0.000	0.000
207	A	221	LYS	1	0.817	0.900	43.562	0.006	0.006	0.000	0.000	0.000	0.000
208	A	222	ILE	0	-0.023	-0.011	42.402	0.000	0.000	0.000	0.000	0.000	0.000
209	A	223	ALA	0	0.032	0.023	41.929	-0.002	-0.002	0.000	0.000	0.000	0.000
210	A	224	ALA	0	-0.049	-0.010	39.793	-0.003	-0.003	0.000	0.000	0.000	0.000
211	A	225	ASN	0	-0.030	-0.020	36.940	0.003	0.003	0.000	0.000	0.000	0.000
212	A	226	ASN	0	0.054	0.023	31.928	-0.007	-0.007	0.000	0.000	0.000	0.000
213	A	227	GLY	0	0.033	0.012	34.484	0.002	0.002	0.000	0.000	0.000	0.000
214	A	228	GLY	0	0.015	0.013	36.414	0.001	0.001	0.000	0.000	0.000	0.000
215	A	229	ALA	0	0.021	0.005	39.616	0.002	0.002	0.000	0.000	0.000	0.000
216	A	230	GLN	0	0.038	0.022	38.551	0.002	0.002	0.000	0.000	0.000	0.000
217	A	231	ALA	0	-0.026	-0.003	41.314	0.002	0.002	0.000	0.000	0.000	0.000
218	A	232	LEU	0	-0.012	-0.017	42.961	0.002	0.002	0.000	0.000	0.000	0.000
219	A	233	HIS	0	0.011	0.002	44.128	0.001	0.001	0.000	0.000	0.000	0.000
220	A	234	ALA	0	0.060	0.036	44.503	0.001	0.001	0.000	0.000	0.000	0.000
221	A	235	VAL	0	-0.016	-0.012	46.493	0.002	0.002	0.000	0.000	0.000	0.000
222	A	236	LEU	0	-0.048	-0.041	49.064	0.002	0.002	0.000	0.000	0.000	0.000
223	A	237	ASP	-1	-0.882	-0.929	47.860	-0.022	-0.022	0.000	0.000	0.000	0.000
224	A	238	LEU	0	-0.011	-0.008	46.300	0.001	0.001	0.000	0.000	0.000	0.000
225	A	239	GLY	0	-0.020	-0.004	50.595	0.002	0.002	0.000	0.000	0.000	0.000
226	A	240	PRO	0	-0.037	-0.042	52.049	0.001	0.001	0.000	0.000	0.000	0.000
227	A	241	THR	0	0.066	0.025	53.861	0.001	0.001	0.000	0.000	0.000	0.000
228	A	242	LEU	0	0.005	0.013	48.893	0.001	0.001	0.000	0.000	0.000	0.000
229	A	243	ARG	1	0.873	0.929	53.454	0.009	0.009	0.000	0.000	0.000	0.000
230	A	244	GLU	-1	-0.897	-0.930	56.731	-0.008	-0.008	0.000	0.000	0.000	0.000
231	A	245	CYS	0	-0.034	-0.001	54.616	0.000	0.000	0.000	0.000	0.000	0.000
232	A	246	GLY	0	0.026	0.021	56.638	0.001	0.001	0.000	0.000	0.000	0.000
233	A	247	PHE	0	-0.082	-0.031	50.958	0.001	0.001	0.000	0.000	0.000	0.000
234	A	248	SER	0	0.029	0.005	54.407	-0.001	-0.001	0.000	0.000	0.000	0.000
235	A	249	GLN	0	0.035	-0.002	53.262	0.000	0.000	0.000	0.000	0.000	0.000
236	A	250	ALA	0	0.022	0.016	51.970	-0.001	-0.001	0.000	0.000	0.000	0.000
237	A	251	THR	0	-0.041	-0.028	49.797	0.000	0.000	0.000	0.000	0.000	0.000
238	A	252	ILE	0	0.033	0.024	48.518	0.000	0.000	0.000	0.000	0.000	0.000
239	A	253	ALA	0	0.030	0.006	47.534	-0.001	-0.001	0.000	0.000	0.000	0.000
240	A	254	LYS	1	0.925	0.964	45.391	-0.003	-0.003	0.000	0.000	0.000	0.000
241	A	255	ILE	0	-0.013	-0.010	43.808	0.000	0.000	0.000	0.000	0.000	0.000
242	A	256	ALA	0	0.022	0.012	42.719	-0.001	-0.001	0.000	0.000	0.000	0.000
243	A	257	GLY	0	-0.026	-0.001	42.358	-0.002	-0.002	0.000	0.000	0.000	0.000
244	A	258	ASN	0	-0.030	-0.016	38.788	0.003	0.003	0.000	0.000	0.000	0.000
245	A	259	ILE	0	0.042	0.024	32.501	-0.003	-0.003	0.000	0.000	0.000	0.000
246	A	260	GLY	0	0.029	0.007	36.042	0.002	0.002	0.000	0.000	0.000	0.000
247	A	261	GLY	0	0.015	0.010	37.070	0.001	0.001	0.000	0.000	0.000	0.000
248	A	262	ALA	0	-0.009	-0.014	40.351	0.001	0.001	0.000	0.000	0.000	0.000
249	A	263	GLN	0	0.027	0.019	37.588	-0.001	-0.001	0.000	0.000	0.000	0.000
250	A	264	ALA	0	-0.032	-0.012	40.413	0.002	0.002	0.000	0.000	0.000	0.000
251	A	265	LEU	0	-0.023	-0.018	41.969	0.002	0.002	0.000	0.000	0.000	0.000
252	A	266	GLN	0	0.007	-0.005	43.236	0.000	0.000	0.000	0.000	0.000	0.000
253	A	267	MET	0	0.028	0.005	40.360	0.000	0.000	0.000	0.000	0.000	0.000
254	A	268	VAL	0	-0.055	-0.025	44.074	0.002	0.002	0.000	0.000	0.000	0.000
255	A	269	LEU	0	-0.015	-0.006	47.115	0.001	0.001	0.000	0.000	0.000	0.000
256	A	270	ASP	-1	-0.856	-0.908	45.485	-0.012	-0.012	0.000	0.000	0.000	0.000
257	A	271	LEU	0	-0.028	-0.017	42.689	0.001	0.001	0.000	0.000	0.000	0.000
258	A	272	GLY	0	-0.001	0.011	47.323	0.002	0.002	0.000	0.000	0.000	0.000
259	A	273	PRO	0	-0.003	-0.004	49.677	0.002	0.002	0.000	0.000	0.000	0.000
260	A	274	ALA	0	0.006	0.008	49.030	0.001	0.001	0.000	0.000	0.000	0.000
261	A	275	LEU	0	0.011	-0.008	45.471	0.002	0.002	0.000	0.000	0.000	0.000
262	A	276	GLY	0	0.021	0.007	49.939	0.001	0.001	0.000	0.000	0.000	0.000
263	A	277	LYS	1	0.880	0.944	53.376	-0.002	-0.002	0.000	0.000	0.000	0.000
264	A	278	ARG	1	0.810	0.875	48.767	-0.010	-0.010	0.000	0.000	0.000	0.000
265	A	279	GLY	0	0.015	0.027	52.802	0.002	0.002	0.000	0.000	0.000	0.000
266	A	280	PHE	0	-0.005	0.001	46.829	0.000	0.000	0.000	0.000	0.000	0.000
267	A	281	SER	0	0.068	0.039	51.514	-0.001	-0.001	0.000	0.000	0.000	0.000
268	A	282	GLN	0	0.042	-0.007	51.767	0.000	0.000	0.000	0.000	0.000	0.000
269	A	283	ALA	0	0.006	0.006	51.001	0.000	0.000	0.000	0.000	0.000	0.000
270	A	284	THR	0	-0.028	-0.023	48.097	0.001	0.001	0.000	0.000	0.000	0.000
271	A	285	ILE	0	0.016	0.017	46.888	0.001	0.001	0.000	0.000	0.000	0.000
272	A	286	ALA	0	0.069	0.025	46.068	0.000	0.000	0.000	0.000	0.000	0.000
273	A	287	LYS	1	0.778	0.901	43.282	-0.015	-0.015	0.000	0.000	0.000	0.000
274	A	288	ILE	0	-0.021	-0.010	41.487	0.002	0.002	0.000	0.000	0.000	0.000
275	A	289	ALA	0	0.038	0.018	41.375	-0.001	-0.001	0.000	0.000	0.000	0.000
276	A	290	GLY	0	-0.041	-0.011	41.972	-0.002	-0.002	0.000	0.000	0.000	0.000
277	A	291	ASN	0	-0.046	-0.024	38.017	0.002	0.002	0.000	0.000	0.000	0.000
278	A	292	ILE	0	0.053	0.026	32.851	-0.003	-0.003	0.000	0.000	0.000	0.000
279	A	293	GLY	0	-0.005	-0.002	34.643	0.003	0.003	0.000	0.000	0.000	0.000
280	A	294	GLY	0	0.006	0.002	35.567	0.001	0.001	0.000	0.000	0.000	0.000
281	A	295	ALA	0	0.005	-0.002	38.048	0.001	0.001	0.000	0.000	0.000	0.000
282	A	296	GLN	0	0.042	0.016	33.622	0.003	0.003	0.000	0.000	0.000	0.000
283	A	297	ALA	0	-0.033	0.008	36.880	0.003	0.003	0.000	0.000	0.000	0.000
284	A	298	LEU	0	-0.004	-0.013	38.691	0.002	0.002	0.000	0.000	0.000	0.000
285	A	299	GLN	0	-0.015	-0.020	38.579	-0.001	-0.001	0.000	0.000	0.000	0.000
286	A	300	THR	0	-0.013	-0.024	36.445	0.002	0.002	0.000	0.000	0.000	0.000
287	A	301	VAL	0	-0.038	-0.032	39.020	0.003	0.003	0.000	0.000	0.000	0.000
288	A	302	LEU	0	-0.021	-0.015	42.354	0.001	0.001	0.000	0.000	0.000	0.000
289	A	303	ASP	-1	-0.850	-0.900	39.710	0.004	0.004	0.000	0.000	0.000	0.000
290	A	304	LEU	0	-0.057	-0.029	37.201	0.002	0.002	0.000	0.000	0.000	0.000
291	A	305	GLU	-1	-0.832	-0.884	41.199	0.017	0.017	0.000	0.000	0.000	0.000
292	A	306	PRO	0	0.036	0.037	43.975	0.002	0.002	0.000	0.000	0.000	0.000
293	A	307	ALA	0	0.074	0.029	41.467	0.002	0.002	0.000	0.000	0.000	0.000
294	A	308	LEU	0	-0.035	-0.016	39.356	0.004	0.004	0.000	0.000	0.000	0.000
295	A	309	CYS	0	-0.012	-0.015	43.354	0.001	0.001	0.000	0.000	0.000	0.000
296	A	310	GLU	-1	-0.941	-0.968	45.973	0.025	0.025	0.000	0.000	0.000	0.000
297	A	311	ARG	1	0.825	0.923	38.163	-0.038	-0.038	0.000	0.000	0.000	0.000
298	A	312	GLY	0	0.031	0.021	44.832	0.003	0.003	0.000	0.000	0.000	0.000
299	A	313	PHE	0	-0.064	-0.027	40.501	0.000	0.000	0.000	0.000	0.000	0.000
300	A	314	SER	0	0.089	0.049	45.890	-0.002	-0.002	0.000	0.000	0.000	0.000
301	A	315	GLN	0	0.049	-0.001	47.316	0.000	0.000	0.000	0.000	0.000	0.000
302	A	316	ALA	0	0.026	0.016	47.383	-0.001	-0.001	0.000	0.000	0.000	0.000
303	A	317	THR	0	-0.037	-0.029	43.750	0.001	0.001	0.000	0.000	0.000	0.000
304	A	318	ILE	0	-0.001	0.005	42.482	0.001	0.001	0.000	0.000	0.000	0.000
305	A	319	ALA	0	0.056	0.016	42.542	0.000	0.000	0.000	0.000	0.000	0.000
306	A	320	LYS	1	0.731	0.871	40.606	-0.033	-0.033	0.000	0.000	0.000	0.000
307	A	321	MET	0	-0.051	-0.031	38.688	0.002	0.002	0.000	0.000	0.000	0.000
308	A	322	ALA	0	0.034	0.030	38.297	0.000	0.000	0.000	0.000	0.000	0.000
309	A	323	GLY	0	-0.019	0.003	39.326	-0.002	-0.002	0.000	0.000	0.000	0.000
310	A	324	ASN	0	-0.046	-0.046	36.622	0.002	0.002	0.000	0.000	0.000	0.000
311	A	325	ASN	0	0.016	-0.007	33.994	-0.005	-0.005	0.000	0.000	0.000	0.000
312	A	326	GLY	0	0.017	0.004	32.269	0.004	0.004	0.000	0.000	0.000	0.000
313	A	327	GLY	0	0.019	0.015	33.199	0.003	0.003	0.000	0.000	0.000	0.000
314	A	328	ALA	0	0.009	0.000	34.092	0.003	0.003	0.000	0.000	0.000	0.000
315	A	329	GLN	0	0.050	0.017	29.454	0.005	0.005	0.000	0.000	0.000	0.000
316	A	330	ALA	0	-0.031	0.003	32.142	0.006	0.006	0.000	0.000	0.000	0.000
317	A	331	LEU	0	-0.014	-0.007	34.083	0.004	0.004	0.000	0.000	0.000	0.000
318	A	332	GLN	0	0.096	0.041	32.618	0.004	0.004	0.000	0.000	0.000	0.000
319	A	333	THR	0	-0.045	-0.030	30.354	0.006	0.006	0.000	0.000	0.000	0.000
320	A	334	VAL	0	-0.024	-0.031	32.520	0.005	0.005	0.000	0.000	0.000	0.000
321	A	335	LEU	0	0.004	0.020	35.628	0.001	0.001	0.000	0.000	0.000	0.000
322	A	336	ASP	-1	-0.860	-0.926	32.039	0.049	0.049	0.000	0.000	0.000	0.000
323	A	337	LEU	0	-0.060	-0.045	29.467	0.006	0.006	0.000	0.000	0.000	0.000
324	A	338	GLU	-1	-0.833	-0.906	33.979	0.052	0.052	0.000	0.000	0.000	0.000
325	A	339	PRO	0	-0.003	-0.004	36.165	0.002	0.002	0.000	0.000	0.000	0.000
326	A	340	ALA	0	0.066	0.034	33.166	0.002	0.002	0.000	0.000	0.000	0.000
327	A	341	LEU	0	-0.019	-0.028	32.722	0.002	0.002	0.000	0.000	0.000	0.000
328	A	342	ARG	1	0.761	0.875	36.314	-0.044	-0.044	0.000	0.000	0.000	0.000
329	A	343	LYS	1	0.828	0.927	38.336	-0.061	-0.061	0.000	0.000	0.000	0.000
330	A	344	ARG	1	0.825	0.951	30.382	-0.104	-0.104	0.000	0.000	0.000	0.000
331	A	345	ASP	-1	-0.780	-0.890	38.002	0.076	0.076	0.000	0.000	0.000	0.000
332	A	346	PHE	0	-0.031	-0.017	34.922	-0.003	-0.003	0.000	0.000	0.000	0.000
333	A	347	ARG	1	0.925	0.932	39.933	-0.053	-0.053	0.000	0.000	0.000	0.000
334	A	348	GLN	0	0.045	0.011	42.095	0.002	0.002	0.000	0.000	0.000	0.000
335	A	349	ALA	0	0.022	-0.003	42.602	0.000	0.000	0.000	0.000	0.000	0.000
336	A	350	ASP	-1	-0.808	-0.879	40.085	0.050	0.050	0.000	0.000	0.000	0.000
337	A	351	ILE	0	0.049	0.028	37.264	0.001	0.001	0.000	0.000	0.000	0.000
338	A	352	ILE	0	0.048	0.024	38.152	0.000	0.000	0.000	0.000	0.000	0.000
339	A	353	LYS	1	0.810	0.908	39.476	-0.048	-0.048	0.000	0.000	0.000	0.000
340	A	354	ILE	0	-0.010	0.006	33.496	-0.001	-0.001	0.000	0.000	0.000	0.000
341	A	355	ALA	0	0.037	0.019	34.542	0.000	0.000	0.000	0.000	0.000	0.000
342	A	356	GLY	0	-0.010	0.004	35.940	-0.003	-0.003	0.000	0.000	0.000	0.000
343	A	357	ASN	0	0.032	0.000	34.877	-0.003	-0.003	0.000	0.000	0.000	0.000
344	A	358	ASP	-1	-0.760	-0.843	33.420	0.020	0.020	0.000	0.000	0.000	0.000
345	A	359	GLY	0	0.022	0.008	30.177	0.003	0.003	0.000	0.000	0.000	0.000
346	A	360	GLY	0	0.014	0.006	29.994	0.007	0.007	0.000	0.000	0.000	0.000
347	A	361	ALA	0	-0.008	-0.009	29.598	0.005	0.005	0.000	0.000	0.000	0.000
348	A	362	GLN	0	0.015	-0.001	23.454	0.006	0.006	0.000	0.000	0.000	0.000
349	A	363	ALA	0	-0.018	0.004	27.388	0.010	0.010	0.000	0.000	0.000	0.000
350	A	364	LEU	0	0.004	-0.011	29.916	0.006	0.006	0.000	0.000	0.000	0.000
351	A	365	GLN	0	0.036	0.020	25.786	0.009	0.009	0.000	0.000	0.000	0.000
352	A	366	ALA	0	0.071	0.040	25.964	0.010	0.010	0.000	0.000	0.000	0.000
353	A	367	VAL	0	-0.007	-0.004	26.926	0.007	0.007	0.000	0.000	0.000	0.000
354	A	368	ILE	0	-0.060	-0.040	27.603	0.002	0.002	0.000	0.000	0.000	0.000
355	A	369	GLU	-1	-0.895	-0.948	21.349	0.189	0.189	0.000	0.000	0.000	0.000
356	A	370	HIS	1	0.847	0.911	22.071	-0.165	-0.165	0.000	0.000	0.000	0.000
357	A	371	GLY	0	0.043	0.036	27.213	-0.003	-0.003	0.000	0.000	0.000	0.000
358	A	372	PRO	0	-0.031	-0.024	28.941	-0.007	-0.007	0.000	0.000	0.000	0.000
359	A	373	THR	0	0.072	0.030	25.964	-0.005	-0.005	0.000	0.000	0.000	0.000
360	A	374	LEU	0	0.005	0.005	29.170	-0.002	-0.002	0.000	0.000	0.000	0.000
361	A	375	ARG	1	0.795	0.881	31.413	-0.099	-0.099	0.000	0.000	0.000	0.000
362	A	376	GLN	0	-0.037	-0.009	28.816	-0.002	-0.002	0.000	0.000	0.000	0.000
363	A	377	HIS	0	0.035	0.015	27.695	-0.008	-0.008	0.000	0.000	0.000	0.000
364	A	378	GLY	0	0.022	0.032	32.984	-0.004	-0.004	0.000	0.000	0.000	0.000
365	A	379	PHE	0	-0.043	-0.015	32.012	-0.009	-0.009	0.000	0.000	0.000	0.000
366	A	380	ASN	0	0.031	0.009	36.257	0.000	0.000	0.000	0.000	0.000	0.000
367	A	381	LEU	0	0.060	0.016	37.456	0.000	0.000	0.000	0.000	0.000	0.000
368	A	382	ALA	0	0.001	-0.001	38.383	-0.002	-0.002	0.000	0.000	0.000	0.000
369	A	383	ASP	-1	-0.821	-0.915	37.158	0.066	0.066	0.000	0.000	0.000	0.000
370	A	384	ILE	0	0.025	0.020	32.893	-0.001	-0.001	0.000	0.000	0.000	0.000
371	A	385	VAL	0	-0.029	-0.022	34.877	-0.001	-0.001	0.000	0.000	0.000	0.000
372	A	386	LYS	1	0.829	0.916	37.416	-0.063	-0.063	0.000	0.000	0.000	0.000
373	A	387	MET	0	-0.018	0.013	32.431	-0.001	-0.001	0.000	0.000	0.000	0.000
374	A	388	ALA	0	0.035	0.009	32.497	-0.001	-0.001	0.000	0.000	0.000	0.000
375	A	389	GLY	0	-0.059	-0.019	33.489	-0.003	-0.003	0.000	0.000	0.000	0.000
376	A	390	ASN	0	-0.023	-0.027	34.617	-0.008	-0.008	0.000	0.000	0.000	0.000
377	A	391	ILE	0	0.038	0.025	32.739	0.003	0.003	0.000	0.000	0.000	0.000
378	A	392	GLY	0	0.019	0.008	29.356	0.000	0.000	0.000	0.000	0.000	0.000
379	A	393	GLY	0	0.028	0.012	29.078	0.006	0.006	0.000	0.000	0.000	0.000
380	A	394	ALA	0	-0.016	-0.015	25.859	0.006	0.006	0.000	0.000	0.000	0.000
381	A	395	GLN	0	0.014	0.007	21.974	0.015	0.015	0.000	0.000	0.000	0.000
382	A	396	ALA	0	-0.026	0.004	26.123	0.006	0.006	0.000	0.000	0.000	0.000
383	A	397	LEU	0	-0.011	-0.019	27.800	0.005	0.005	0.000	0.000	0.000	0.000
384	A	398	GLN	0	-0.050	-0.025	20.880	0.002	0.002	0.000	0.000	0.000	0.000
385	A	399	ALA	0	0.044	0.018	24.688	0.009	0.009	0.000	0.000	0.000	0.000
386	A	400	VAL	0	0.005	-0.014	25.960	0.001	0.001	0.000	0.000	0.000	0.000
387	A	401	LEU	0	-0.064	-0.029	24.724	0.000	0.000	0.000	0.000	0.000	0.000
388	A	402	ASP	-1	-0.865	-0.916	21.558	0.201	0.201	0.000	0.000	0.000	0.000
389	A	403	LEU	0	-0.015	-0.007	23.872	0.003	0.003	0.000	0.000	0.000	0.000
390	A	404	LYS	1	0.742	0.876	26.904	-0.119	-0.119	0.000	0.000	0.000	0.000
391	A	405	PRO	0	0.031	0.007	26.798	-0.008	-0.008	0.000	0.000	0.000	0.000
392	A	406	VAL	0	0.086	0.052	26.721	-0.008	-0.008	0.000	0.000	0.000	0.000
393	A	407	LEU	0	-0.018	-0.014	29.935	-0.011	-0.011	0.000	0.000	0.000	0.000
394	A	408	ASP	-1	-0.822	-0.896	32.600	0.099	0.099	0.000	0.000	0.000	0.000
395	A	409	GLU	-1	-0.953	-0.984	30.105	0.117	0.117	0.000	0.000	0.000	0.000
396	A	410	HIS	0	-0.044	-0.022	31.322	-0.010	-0.010	0.000	0.000	0.000	0.000
397	A	411	GLY	0	0.005	0.017	35.628	-0.006	-0.006	0.000	0.000	0.000	0.000
398	A	412	PHE	0	-0.035	-0.013	35.285	-0.007	-0.007	0.000	0.000	0.000	0.000
399	A	413	SER	0	-0.001	-0.017	37.828	0.004	0.004	0.000	0.000	0.000	0.000
400	A	414	GLN	0	0.007	0.002	37.239	0.002	0.002	0.000	0.000	0.000	0.000
401	A	415	PRO	0	-0.010	-0.029	38.134	0.000	0.000	0.000	0.000	0.000	0.000
402	A	416	ASP	-1	-0.795	-0.878	39.364	0.053	0.053	0.000	0.000	0.000	0.000
403	A	417	ILE	0	0.086	0.046	33.256	-0.002	-0.002	0.000	0.000	0.000	0.000
404	A	418	VAL	0	-0.057	-0.033	35.471	-0.001	-0.001	0.000	0.000	0.000	0.000
405	A	419	LYS	1	0.811	0.904	37.366	-0.053	-0.053	0.000	0.000	0.000	0.000
406	A	420	MET	0	-0.021	0.014	34.848	-0.002	-0.002	0.000	0.000	0.000	0.000
407	A	421	ALA	0	0.024	0.009	32.679	-0.001	-0.001	0.000	0.000	0.000	0.000
408	A	422	GLY	0	-0.051	-0.018	33.980	0.001	0.001	0.000	0.000	0.000	0.000
409	A	423	ASN	0	-0.023	-0.012	35.777	-0.008	-0.008	0.000	0.000	0.000	0.000
410	A	424	ILE	0	0.039	0.018	34.471	0.004	0.004	0.000	0.000	0.000	0.000
411	A	425	GLY	0	0.006	-0.003	31.277	-0.002	-0.002	0.000	0.000	0.000	0.000
412	A	426	GLY	0	0.030	0.019	31.578	0.001	0.001	0.000	0.000	0.000	0.000
413	A	427	ALA	0	-0.016	-0.018	26.935	0.002	0.002	0.000	0.000	0.000	0.000
414	A	428	GLN	0	0.003	0.000	25.856	0.004	0.004	0.000	0.000	0.000	0.000
415	A	429	ALA	0	-0.019	-0.002	29.693	-0.002	-0.002	0.000	0.000	0.000	0.000
416	A	430	LEU	0	-0.003	-0.007	29.610	-0.001	-0.001	0.000	0.000	0.000	0.000
417	A	431	GLN	0	0.078	0.028	24.179	-0.002	-0.002	0.000	0.000	0.000	0.000
418	A	432	ALA	0	-0.017	0.001	29.005	-0.002	-0.002	0.000	0.000	0.000	0.000
419	A	433	VAL	0	-0.037	-0.021	32.189	-0.004	-0.004	0.000	0.000	0.000	0.000
420	A	434	LEU	0	-0.024	-0.007	28.611	0.002	0.002	0.000	0.000	0.000	0.000
421	A	435	SER	0	-0.030	-0.016	28.709	-0.001	-0.001	0.000	0.000	0.000	0.000
422	A	436	LEU	0	-0.021	0.004	30.716	-0.005	-0.005	0.000	0.000	0.000	0.000
423	A	437	GLY	0	0.022	0.003	34.467	0.004	0.004	0.000	0.000	0.000	0.000
424	A	438	PRO	0	-0.011	-0.019	33.992	-0.003	-0.003	0.000	0.000	0.000	0.000
425	A	439	ALA	0	0.089	0.044	36.804	-0.002	-0.002	0.000	0.000	0.000	0.000
426	A	440	LEU	0	-0.049	-0.018	38.665	-0.003	-0.003	0.000	0.000	0.000	0.000
427	A	441	ARG	1	0.884	0.946	38.010	-0.055	-0.055	0.000	0.000	0.000	0.000
428	A	442	GLU	-1	-0.897	-0.959	39.528	0.040	0.040	0.000	0.000	0.000	0.000
429	A	443	ARG	1	0.824	0.921	41.162	-0.024	-0.024	0.000	0.000	0.000	0.000
430	A	444	GLY	0	0.044	0.042	45.004	-0.002	-0.002	0.000	0.000	0.000	0.000
431	A	445	PHE	0	-0.069	-0.024	43.915	0.000	0.000	0.000	0.000	0.000	0.000
432	A	446	SER	0	0.043	0.016	44.817	0.003	0.003	0.000	0.000	0.000	0.000
433	A	447	GLN	0	0.024	0.009	39.239	-0.003	-0.003	0.000	0.000	0.000	0.000
434	A	448	PRO	0	-0.017	-0.032	42.692	0.001	0.001	0.000	0.000	0.000	0.000
435	A	449	ASP	-1	-0.817	-0.918	45.025	0.032	0.032	0.000	0.000	0.000	0.000
436	A	450	ILE	0	0.043	0.026	38.884	-0.001	-0.001	0.000	0.000	0.000	0.000
437	A	451	VAL	0	-0.037	-0.017	40.133	0.001	0.001	0.000	0.000	0.000	0.000
438	A	452	LYS	1	0.806	0.911	41.340	-0.033	-0.033	0.000	0.000	0.000	0.000
439	A	453	ILE	0	-0.017	0.001	40.296	-0.001	-0.001	0.000	0.000	0.000	0.000
440	A	454	ALA	0	0.034	0.015	36.746	-0.001	-0.001	0.000	0.000	0.000	0.000
441	A	455	GLY	0	-0.040	-0.009	37.666	0.002	0.002	0.000	0.000	0.000	0.000
442	A	456	ASN	0	-0.018	-0.016	39.287	-0.002	-0.002	0.000	0.000	0.000	0.000
443	A	457	THR	0	0.033	0.008	37.466	0.003	0.003	0.000	0.000	0.000	0.000
444	A	458	GLY	0	-0.006	0.009	35.995	-0.003	-0.003	0.000	0.000	0.000	0.000
445	A	459	GLY	0	0.031	0.017	37.012	-0.002	-0.002	0.000	0.000	0.000	0.000
446	A	460	ALA	0	-0.008	-0.015	32.656	-0.001	-0.001	0.000	0.000	0.000	0.000
447	A	461	GLN	0	0.009	0.009	34.744	0.000	0.000	0.000	0.000	0.000	0.000
448	A	462	ALA	0	-0.033	-0.017	36.429	-0.003	-0.003	0.000	0.000	0.000	0.000
449	A	463	LEU	0	0.005	0.001	35.808	-0.002	-0.002	0.000	0.000	0.000	0.000
450	A	464	GLN	0	-0.028	-0.026	34.629	0.003	0.003	0.000	0.000	0.000	0.000
451	A	465	ALA	0	0.008	-0.001	37.379	-0.002	-0.002	0.000	0.000	0.000	0.000
452	A	466	VAL	0	-0.012	-0.011	40.703	-0.002	-0.002	0.000	0.000	0.000	0.000
453	A	467	LEU	0	-0.007	-0.002	37.021	-0.001	-0.001	0.000	0.000	0.000	0.000
454	A	468	ASP	-1	-0.874	-0.917	38.560	0.014	0.014	0.000	0.000	0.000	0.000
455	A	469	LEU	0	-0.021	-0.003	41.460	-0.002	-0.002	0.000	0.000	0.000	0.000
456	A	470	GLU	-1	-0.841	-0.914	44.534	0.020	0.020	0.000	0.000	0.000	0.000
457	A	471	LEU	0	0.016	0.018	45.375	-0.001	-0.001	0.000	0.000	0.000	0.000
458	A	472	THR	0	0.027	-0.004	47.183	-0.001	-0.001	0.000	0.000	0.000	0.000
459	A	473	LEU	0	-0.002	-0.006	48.725	-0.001	-0.001	0.000	0.000	0.000	0.000
460	A	474	VAL	0	-0.042	-0.030	50.635	0.000	0.000	0.000	0.000	0.000	0.000
461	A	475	GLU	-1	-0.944	-0.972	51.695	0.009	0.009	0.000	0.000	0.000	0.000
462	A	476	HIS	0	-0.085	-0.047	53.032	-0.001	-0.001	0.000	0.000	0.000	0.000
463	A	477	GLY	0	-0.039	0.001	55.377	0.000	0.000	0.000	0.000	0.000	0.000
464	A	478	PHE	0	-0.066	-0.044	53.375	0.000	0.000	0.000	0.000	0.000	0.000
465	A	479	SER	0	-0.015	-0.040	53.670	0.001	0.001	0.000	0.000	0.000	0.000
466	A	480	GLN	0	0.020	-0.015	47.809	0.001	0.001	0.000	0.000	0.000	0.000
467	A	481	PRO	0	0.014	-0.002	49.953	0.001	0.001	0.000	0.000	0.000	0.000
468	A	482	ASP	-1	-0.800	-0.881	51.620	0.018	0.018	0.000	0.000	0.000	0.000
469	A	483	ILE	0	0.063	0.042	46.752	0.000	0.000	0.000	0.000	0.000	0.000
470	A	484	VAL	0	-0.018	-0.007	46.552	0.001	0.001	0.000	0.000	0.000	0.000
471	A	485	ARG	1	0.894	0.962	47.845	-0.017	-0.017	0.000	0.000	0.000	0.000
472	A	486	ILE	0	0.016	-0.001	47.844	0.000	0.000	0.000	0.000	0.000	0.000
473	A	487	THR	0	-0.048	-0.028	43.810	0.001	0.001	0.000	0.000	0.000	0.000
474	A	488	GLY	0	0.014	0.009	44.979	0.001	0.001	0.000	0.000	0.000	0.000
475	A	489	ASN	0	-0.092	-0.052	46.192	0.002	0.002	0.000	0.000	0.000	0.000
476	A	490	ARG	1	0.876	0.925	44.243	-0.031	-0.031	0.000	0.000	0.000	0.000
477	A	491	GLY	0	0.059	0.050	45.307	-0.001	-0.001	0.000	0.000	0.000	0.000
478	A	492	GLY	0	-0.018	-0.017	43.073	-0.001	-0.001	0.000	0.000	0.000	0.000
479	A	493	ALA	0	0.029	-0.001	40.185	-0.001	-0.001	0.000	0.000	0.000	0.000
480	A	494	GLN	0	0.028	0.018	40.163	-0.003	-0.003	0.000	0.000	0.000	0.000
481	A	495	ALA	0	0.013	0.016	44.240	-0.002	-0.002	0.000	0.000	0.000	0.000
482	A	496	LEU	0	0.008	0.017	43.901	-0.001	-0.001	0.000	0.000	0.000	0.000
483	A	497	GLN	0	-0.019	-0.024	41.921	0.000	0.000	0.000	0.000	0.000	0.000
484	A	498	ALA	0	-0.007	0.003	46.328	-0.001	-0.001	0.000	0.000	0.000	0.000
485	A	499	VAL	0	0.009	-0.006	49.385	-0.001	-0.001	0.000	0.000	0.000	0.000
486	A	500	LEU	0	-0.002	0.001	48.143	-0.001	-0.001	0.000	0.000	0.000	0.000
487	A	501	ALA	0	-0.022	-0.007	49.236	-0.001	-0.001	0.000	0.000	0.000	0.000
488	A	502	LEU	0	-0.027	-0.011	51.256	-0.001	-0.001	0.000	0.000	0.000	0.000
489	A	503	GLU	-1	-0.787	-0.884	54.293	0.007	0.007	0.000	0.000	0.000	0.000
490	A	504	LEU	0	0.032	0.030	55.731	0.000	0.000	0.000	0.000	0.000	0.000
491	A	505	THR	0	0.050	0.022	57.441	0.000	0.000	0.000	0.000	0.000	0.000
492	A	506	LEU	0	-0.046	-0.024	56.563	0.000	0.000	0.000	0.000	0.000	0.000
493	A	507	ARG	1	0.803	0.880	57.360	-0.008	-0.008	0.000	0.000	0.000	0.000
494	A	508	GLU	-1	-0.952	-0.971	61.976	0.000	0.000	0.000	0.000	0.000	0.000
495	A	509	ARG	1	0.735	0.844	61.675	-0.002	-0.002	0.000	0.000	0.000	0.000
496	A	510	GLY	0	0.013	0.011	64.774	0.000	0.000	0.000	0.000	0.000	0.000
497	A	511	PHE	0	-0.074	-0.021	61.547	0.001	0.001	0.000	0.000	0.000	0.000
498	A	512	SER	0	0.003	-0.033	62.791	0.000	0.000	0.000	0.000	0.000	0.000
499	A	513	GLN	0	0.023	0.007	56.621	0.000	0.000	0.000	0.000	0.000	0.000
500	A	514	PRO	0	-0.012	-0.020	58.491	0.001	0.001	0.000	0.000	0.000	0.000
501	A	515	ASP	-1	-0.798	-0.863	59.348	0.010	0.010	0.000	0.000	0.000	0.000
502	A	516	ILE	0	0.029	0.018	55.303	0.000	0.000	0.000	0.000	0.000	0.000
503	A	517	VAL	0	-0.010	-0.014	54.078	0.001	0.001	0.000	0.000	0.000	0.000
504	A	518	LYS	1	0.713	0.877	54.654	-0.012	-0.012	0.000	0.000	0.000	0.000
505	A	519	ILE	0	-0.017	-0.009	54.971	0.000	0.000	0.000	0.000	0.000	0.000
506	A	520	ALA	0	0.021	0.011	51.286	0.000	0.000	0.000	0.000	0.000	0.000
507	A	521	GLY	0	-0.017	0.000	50.595	0.001	0.001	0.000	0.000	0.000	0.000
508	A	522	ASN	0	-0.037	-0.045	50.873	0.000	0.000	0.000	0.000	0.000	0.000
509	A	523	SER	0	0.026	0.018	47.034	-0.001	-0.001	0.000	0.000	0.000	0.000
510	A	524	GLY	0	0.011	-0.008	47.331	-0.001	-0.001	0.000	0.000	0.000	0.000
511	A	525	GLY	0	0.043	0.022	48.700	-0.002	-0.002	0.000	0.000	0.000	0.000
512	A	526	ALA	0	-0.019	-0.021	47.349	-0.001	-0.001	0.000	0.000	0.000	0.000
513	A	527	GLN	0	-0.011	-0.004	47.218	-0.002	-0.002	0.000	0.000	0.000	0.000
514	A	528	ALA	0	-0.016	-0.003	50.976	-0.001	-0.001	0.000	0.000	0.000	0.000
515	A	529	LEU	0	0.017	0.007	51.595	-0.001	-0.001	0.000	0.000	0.000	0.000
516	A	530	GLN	0	-0.011	-0.006	52.847	0.000	0.000	0.000	0.000	0.000	0.000
517	A	531	ALA	0	0.017	-0.005	54.809	-0.001	-0.001	0.000	0.000	0.000	0.000
518	A	532	VAL	0	-0.012	-0.013	56.842	0.000	0.000	0.000	0.000	0.000	0.000
519	A	533	LEU	0	0.008	0.009	56.256	-0.001	-0.001	0.000	0.000	0.000	0.000
520	A	534	ASP	-1	-0.860	-0.905	56.578	-0.001	-0.001	0.000	0.000	0.000	0.000
521	A	535	LEU	0	-0.060	-0.031	59.378	0.000	0.000	0.000	0.000	0.000	0.000
522	A	536	GLU	-1	-0.796	-0.872	62.511	0.003	0.003	0.000	0.000	0.000	0.000
523	A	537	LEU	0	0.032	0.010	64.597	0.000	0.000	0.000	0.000	0.000	0.000
524	A	538	THR	0	0.015	0.006	65.153	0.000	0.000	0.000	0.000	0.000	0.000
525	A	539	PHE	0	-0.012	-0.013	62.730	0.000	0.000	0.000	0.000	0.000	0.000
526	A	540	ARG	1	0.855	0.910	67.778	-0.004	-0.004	0.000	0.000	0.000	0.000
527	A	541	GLU	-1	-0.892	-0.934	70.463	0.001	0.001	0.000	0.000	0.000	0.000
528	A	542	ARG	1	0.748	0.875	67.367	-0.002	-0.002	0.000	0.000	0.000	0.000
529	A	543	GLY	0	0.005	0.002	72.577	0.000	0.000	0.000	0.000	0.000	0.000
530	A	544	PHE	0	-0.049	-0.018	68.901	0.000	0.000	0.000	0.000	0.000	0.000
531	A	545	SER	0	-0.019	-0.035	70.157	0.000	0.000	0.000	0.000	0.000	0.000
532	A	546	GLN	0	0.027	-0.018	66.216	0.000	0.000	0.000	0.000	0.000	0.000
533	A	547	ALA	0	0.036	0.026	65.377	0.000	0.000	0.000	0.000	0.000	0.000
534	A	548	ASP	-1	-0.821	-0.883	65.576	0.008	0.008	0.000	0.000	0.000	0.000
535	A	549	ILE	0	0.009	0.010	62.135	0.000	0.000	0.000	0.000	0.000	0.000
536	A	550	VAL	0	0.027	0.022	60.841	0.000	0.000	0.000	0.000	0.000	0.000
537	A	551	LYS	1	0.791	0.909	60.762	-0.011	-0.011	0.000	0.000	0.000	0.000
538	A	552	ILE	0	-0.022	-0.030	60.606	0.001	0.001	0.000	0.000	0.000	0.000
539	A	553	ALA	0	0.015	0.012	57.819	0.000	0.000	0.000	0.000	0.000	0.000
540	A	554	GLY	0	0.007	0.013	56.144	0.000	0.000	0.000	0.000	0.000	0.000
541	A	555	ASN	0	-0.005	-0.026	55.535	0.000	0.000	0.000	0.000	0.000	0.000
542	A	556	ASP	-1	-0.830	-0.882	50.756	0.019	0.019	0.000	0.000	0.000	0.000
543	A	557	GLY	0	-0.037	-0.017	51.526	0.000	0.000	0.000	0.000	0.000	0.000
544	A	558	GLY	0	0.040	0.025	52.544	-0.001	-0.001	0.000	0.000	0.000	0.000
545	A	559	THR	0	0.028	0.003	52.731	0.000	0.000	0.000	0.000	0.000	0.000
546	A	560	GLN	0	-0.003	0.009	52.938	-0.001	-0.001	0.000	0.000	0.000	0.000
547	A	561	ALA	0	-0.022	-0.003	56.360	-0.001	-0.001	0.000	0.000	0.000	0.000
548	A	562	LEU	0	0.004	0.000	57.824	0.000	0.000	0.000	0.000	0.000	0.000
549	A	563	HIS	0	-0.004	-0.011	56.628	-0.001	-0.001	0.000	0.000	0.000	0.000
550	A	564	ALA	0	0.019	0.008	60.271	0.000	0.000	0.000	0.000	0.000	0.000
551	A	565	VAL	0	0.011	0.000	61.992	0.000	0.000	0.000	0.000	0.000	0.000
552	A	566	LEU	0	-0.026	-0.015	63.435	0.000	0.000	0.000	0.000	0.000	0.000
553	A	567	ASP	-1	-0.906	-0.933	62.060	0.001	0.001	0.000	0.000	0.000	0.000
554	A	568	LEU	0	-0.063	-0.039	63.736	0.000	0.000	0.000	0.000	0.000	0.000
555	A	569	GLU	-1	-0.799	-0.861	67.547	0.003	0.003	0.000	0.000	0.000	0.000
556	A	570	ARG	1	0.910	0.955	70.014	-0.001	-0.001	0.000	0.000	0.000	0.000
557	A	571	MET	0	0.056	0.023	68.925	0.000	0.000	0.000	0.000	0.000	0.000
558	A	572	LEU	0	-0.019	-0.004	67.651	0.000	0.000	0.000	0.000	0.000	0.000
559	A	573	GLY	0	0.046	0.028	72.229	0.000	0.000	0.000	0.000	0.000	0.000
560	A	574	ASP	-1	-0.911	-0.965	75.087	0.003	0.003	0.000	0.000	0.000	0.000
561	A	575	ARG	1	0.800	0.893	71.084	-0.005	-0.005	0.000	0.000	0.000	0.000
562	A	576	GLY	0	0.025	0.015	76.566	0.000	0.000	0.000	0.000	0.000	0.000
563	A	577	PHE	0	-0.073	-0.029	72.762	0.001	0.001	0.000	0.000	0.000	0.000
564	A	578	SER	0	0.005	-0.033	74.830	0.000	0.000	0.000	0.000	0.000	0.000
565	A	579	ARG	1	0.861	0.889	72.283	-0.004	-0.004	0.000	0.000	0.000	0.000
566	A	580	ALA	0	0.065	0.035	71.023	0.000	0.000	0.000	0.000	0.000	0.000
567	A	581	ASP	-1	-0.817	-0.875	70.589	0.009	0.009	0.000	0.000	0.000	0.000
568	A	582	ILE	0	-0.006	-0.002	67.771	0.001	0.001	0.000	0.000	0.000	0.000
569	A	583	VAL	0	0.021	0.008	66.601	0.000	0.000	0.000	0.000	0.000	0.000
570	A	584	ASN	0	-0.030	-0.021	65.628	0.001	0.001	0.000	0.000	0.000	0.000
571	A	585	VAL	0	-0.019	-0.004	64.521	0.001	0.001	0.000	0.000	0.000	0.000
572	A	586	ALA	0	0.002	0.007	62.564	0.000	0.000	0.000	0.000	0.000	0.000
573	A	587	GLY	0	-0.010	0.001	61.022	0.000	0.000	0.000	0.000	0.000	0.000
574	A	588	ASN	0	0.004	-0.017	59.842	0.002	0.002	0.000	0.000	0.000	0.000
575	A	589	ASN	0	0.001	0.001	52.925	-0.001	-0.001	0.000	0.000	0.000	0.000
576	A	590	GLY	0	0.016	-0.001	55.755	0.000	0.000	0.000	0.000	0.000	0.000
577	A	591	GLY	0	0.040	0.028	56.539	-0.001	-0.001	0.000	0.000	0.000	0.000
578	A	592	ALA	0	0.005	-0.004	57.419	-0.001	-0.001	0.000	0.000	0.000	0.000
579	A	593	GLN	0	0.000	0.004	55.586	-0.002	-0.002	0.000	0.000	0.000	0.000
580	A	594	ALA	0	-0.009	0.003	59.328	0.000	0.000	0.000	0.000	0.000	0.000
581	A	595	LEU	0	0.031	0.015	62.263	0.000	0.000	0.000	0.000	0.000	0.000
582	A	596	LYS	1	0.899	0.942	58.248	-0.007	-0.007	0.000	0.000	0.000	0.000
583	A	597	ALA	0	0.021	0.012	62.390	0.000	0.000	0.000	0.000	0.000	0.000
584	A	598	VAL	0	0.003	-0.001	64.315	0.000	0.000	0.000	0.000	0.000	0.000
585	A	599	LEU	0	-0.004	0.000	67.160	0.000	0.000	0.000	0.000	0.000	0.000
586	A	600	GLU	-1	-0.852	-0.913	63.188	0.008	0.008	0.000	0.000	0.000	0.000
587	A	601	HIS	0	0.006	0.003	65.257	0.001	0.001	0.000	0.000	0.000	0.000
588	A	602	GLU	-1	-0.766	-0.866	69.167	0.006	0.006	0.000	0.000	0.000	0.000
589	A	603	ALA	0	0.015	0.026	72.112	0.000	0.000	0.000	0.000	0.000	0.000
590	A	604	THR	0	0.034	0.009	71.538	0.000	0.000	0.000	0.000	0.000	0.000
591	A	605	LEU	0	-0.059	-0.028	69.834	0.000	0.000	0.000	0.000	0.000	0.000
592	A	606	ASN	0	0.019	0.007	73.773	0.000	0.000	0.000	0.000	0.000	0.000
593	A	607	GLU	-1	-0.943	-0.974	76.488	0.006	0.006	0.000	0.000	0.000	0.000
594	A	608	ARG	1	0.819	0.903	70.889	-0.010	-0.010	0.000	0.000	0.000	0.000
595	A	609	GLY	0	0.012	0.018	77.139	0.000	0.000	0.000	0.000	0.000	0.000
596	A	610	PHE	0	-0.059	-0.035	73.264	0.000	0.000	0.000	0.000	0.000	0.000
597	A	611	SER	0	-0.008	-0.029	76.528	-0.001	-0.001	0.000	0.000	0.000	0.000
598	A	612	ARG	1	0.827	0.881	75.264	-0.006	-0.006	0.000	0.000	0.000	0.000
599	A	613	ALA	0	0.085	0.030	74.197	0.000	0.000	0.000	0.000	0.000	0.000
600	A	614	ASP	-1	-0.827	-0.865	73.631	0.011	0.011	0.000	0.000	0.000	0.000
601	A	615	ILE	0	0.023	0.015	69.782	0.001	0.001	0.000	0.000	0.000	0.000
602	A	616	VAL	0	-0.005	-0.002	69.328	0.000	0.000	0.000	0.000	0.000	0.000
603	A	617	LYS	1	0.827	0.899	68.904	-0.011	-0.011	0.000	0.000	0.000	0.000
604	A	618	ILE	0	-0.018	-0.008	66.359	0.001	0.001	0.000	0.000	0.000	0.000
605	A	619	ALA	0	-0.008	-0.012	64.914	0.001	0.001	0.000	0.000	0.000	0.000
606	A	620	GLY	0	0.000	0.014	64.253	0.000	0.000	0.000	0.000	0.000	0.000
607	A	621	ASN	0	-0.029	-0.023	62.431	0.001	0.001	0.000	0.000	0.000	0.000
608	A	622	GLY	0	0.029	0.022	58.373	0.000	0.000	0.000	0.000	0.000	0.000
609	A	623	GLY	0	-0.019	-0.014	57.745	0.001	0.001	0.000	0.000	0.000	0.000
610	A	624	GLY	0	0.032	0.021	58.385	0.000	0.000	0.000	0.000	0.000	0.000
611	A	625	ALA	0	-0.008	-0.013	59.414	0.000	0.000	0.000	0.000	0.000	0.000
612	A	626	GLN	0	0.000	-0.011	55.932	0.000	0.000	0.000	0.000	0.000	0.000
613	A	627	ALA	0	-0.010	0.009	60.398	0.000	0.000	0.000	0.000	0.000	0.000
614	A	628	LEU	0	0.019	0.005	63.482	0.000	0.000	0.000	0.000	0.000	0.000
615	A	629	LYS	1	0.768	0.883	60.788	-0.010	-0.010	0.000	0.000	0.000	0.000
616	A	630	ALA	0	0.023	0.013	62.545	0.000	0.000	0.000	0.000	0.000	0.000
617	A	631	VAL	0	0.001	-0.004	64.430	0.000	0.000	0.000	0.000	0.000	0.000
618	A	632	LEU	0	-0.018	0.003	67.116	0.000	0.000	0.000	0.000	0.000	0.000
619	A	633	GLU	-1	-0.876	-0.933	62.383	0.015	0.015	0.000	0.000	0.000	0.000
620	A	634	HIS	0	0.020	0.015	63.879	0.001	0.001	0.000	0.000	0.000	0.000
621	A	635	GLU	-1	-0.757	-0.854	68.566	0.011	0.011	0.000	0.000	0.000	0.000
622	A	636	ALA	0	0.046	0.029	71.971	0.000	0.000	0.000	0.000	0.000	0.000
623	A	637	THR	0	-0.022	-0.024	69.886	0.000	0.000	0.000	0.000	0.000	0.000
624	A	638	LEU	0	-0.043	-0.031	68.925	0.001	0.001	0.000	0.000	0.000	0.000
625	A	639	ASP	-1	-0.809	-0.891	72.933	0.011	0.011	0.000	0.000	0.000	0.000
626	A	640	GLU	-1	-0.895	-0.930	73.513	0.014	0.014	0.000	0.000	0.000	0.000
627	A	641	ARG	1	0.790	0.893	69.142	-0.016	-0.016	0.000	0.000	0.000	0.000
628	A	642	GLY	0	-0.003	0.005	75.744	0.000	0.000	0.000	0.000	0.000	0.000
629	A	643	PHE	0	-0.076	-0.032	71.989	0.000	0.000	0.000	0.000	0.000	0.000
630	A	644	SER	0	0.013	-0.018	76.254	-0.001	-0.001	0.000	0.000	0.000	0.000
631	A	645	ARG	1	0.819	0.861	75.877	-0.010	-0.010	0.000	0.000	0.000	0.000
632	A	646	ALA	0	0.031	0.016	75.225	0.000	0.000	0.000	0.000	0.000	0.000
633	A	647	ASP	-1	-0.796	-0.880	73.927	0.014	0.014	0.000	0.000	0.000	0.000
634	A	648	ILE	0	0.003	0.007	70.579	0.001	0.001	0.000	0.000	0.000	0.000
635	A	649	VAL	0	-0.016	-0.011	70.247	0.000	0.000	0.000	0.000	0.000	0.000
636	A	650	ARG	1	0.776	0.861	70.326	-0.015	-0.015	0.000	0.000	0.000	0.000
637	A	651	ILE	0	-0.030	-0.005	66.512	0.001	0.001	0.000	0.000	0.000	0.000
638	A	652	ALA	0	0.004	-0.003	65.984	0.001	0.001	0.000	0.000	0.000	0.000
639	A	653	GLY	0	-0.005	0.014	65.580	0.000	0.000	0.000	0.000	0.000	0.000
640	A	654	ASN	0	-0.023	-0.037	64.107	0.001	0.001	0.000	0.000	0.000	0.000
641	A	655	GLY	0	0.045	0.031	60.376	0.000	0.000	0.000	0.000	0.000	0.000
642	A	656	GLY	0	-0.008	-0.012	58.818	0.001	0.001	0.000	0.000	0.000	0.000
643	A	657	GLY	0	0.047	0.026	59.472	0.000	0.000	0.000	0.000	0.000	0.000
644	A	658	ALA	0	-0.016	-0.017	59.941	0.000	0.000	0.000	0.000	0.000	0.000
645	A	659	GLN	0	0.000	-0.012	55.744	0.000	0.000	0.000	0.000	0.000	0.000
646	A	660	ALA	0	-0.029	0.001	60.220	0.001	0.001	0.000	0.000	0.000	0.000
647	A	661	LEU	0	0.023	0.011	63.197	0.000	0.000	0.000	0.000	0.000	0.000
648	A	662	LYS	1	0.793	0.885	59.391	-0.017	-0.017	0.000	0.000	0.000	0.000
649	A	663	ALA	0	0.021	0.007	61.363	0.000	0.000	0.000	0.000	0.000	0.000
650	A	664	VAL	0	0.015	0.005	63.032	0.000	0.000	0.000	0.000	0.000	0.000
651	A	665	LEU	0	-0.035	-0.009	65.563	0.000	0.000	0.000	0.000	0.000	0.000
652	A	666	GLU	-1	-0.853	-0.917	59.694	0.025	0.025	0.000	0.000	0.000	0.000
653	A	667	HIS	0	-0.018	-0.017	60.970	0.002	0.002	0.000	0.000	0.000	0.000
654	A	668	GLY	0	0.055	0.048	65.838	0.000	0.000	0.000	0.000	0.000	0.000
655	A	669	PRO	0	0.002	0.002	68.376	0.000	0.000	0.000	0.000	0.000	0.000
656	A	670	THR	0	0.038	0.009	65.915	0.000	0.000	0.000	0.000	0.000	0.000
657	A	671	LEU	0	-0.042	-0.021	66.221	0.001	0.001	0.000	0.000	0.000	0.000
658	A	672	ASN	0	0.063	0.024	69.744	0.000	0.000	0.000	0.000	0.000	0.000
659	A	673	GLU	-1	-0.889	-0.942	69.945	0.021	0.021	0.000	0.000	0.000	0.000
660	A	674	ARG	1	0.780	0.890	66.037	-0.024	-0.024	0.000	0.000	0.000	0.000
661	A	675	GLY	0	0.005	0.010	72.346	0.000	0.000	0.000	0.000	0.000	0.000
662	A	676	PHE	0	-0.080	-0.039	69.115	0.000	0.000	0.000	0.000	0.000	0.000
663	A	677	ASN	0	-0.005	-0.016	73.750	-0.001	-0.001	0.000	0.000	0.000	0.000
664	A	678	LEU	0	0.043	0.013	74.342	0.000	0.000	0.000	0.000	0.000	0.000
665	A	679	THR	0	0.061	0.009	74.172	0.000	0.000	0.000	0.000	0.000	0.000
666	A	680	ASP	-1	-0.796	-0.871	73.128	0.018	0.018	0.000	0.000	0.000	0.000
667	A	681	ILE	0	-0.036	-0.020	69.078	0.001	0.001	0.000	0.000	0.000	0.000
668	A	682	VAL	0	0.003	0.010	69.458	0.000	0.000	0.000	0.000	0.000	0.000
669	A	683	GLU	-1	-0.814	-0.874	70.105	0.017	0.017	0.000	0.000	0.000	0.000
670	A	684	MET	0	-0.104	-0.049	66.756	0.001	0.001	0.000	0.000	0.000	0.000
671	A	685	ALA	0	-0.015	-0.009	65.605	0.001	0.001	0.000	0.000	0.000	0.000
672	A	686	ALA	0	-0.025	0.005	65.919	0.000	0.000	0.000	0.000	0.000	0.000
673	A	687	ASN	0	0.026	0.012	64.162	0.000	0.000	0.000	0.000	0.000	0.000
674	A	688	SER	0	0.020	0.023	59.557	0.000	0.000	0.000	0.000	0.000	0.000
675	A	689	GLY	0	-0.019	-0.010	58.807	0.001	0.001	0.000	0.000	0.000	0.000
676	A	690	GLY	0	0.035	0.015	59.593	0.001	0.001	0.000	0.000	0.000	0.000
677	A	691	ALA	0	0.019	0.007	59.343	0.000	0.000	0.000	0.000	0.000	0.000
678	A	692	GLN	0	-0.013	-0.016	54.303	0.000	0.000	0.000	0.000	0.000	0.000
679	A	693	ALA	0	-0.049	-0.010	58.977	0.001	0.001	0.000	0.000	0.000	0.000
680	A	694	LEU	0	0.070	0.035	62.061	0.001	0.001	0.000	0.000	0.000	0.000
681	A	695	LYS	1	0.781	0.879	56.875	-0.026	-0.026	0.000	0.000	0.000	0.000
682	A	696	ALA	0	-0.046	-0.032	59.163	0.001	0.001	0.000	0.000	0.000	0.000
683	A	697	VAL	0	0.026	0.004	60.471	0.001	0.001	0.000	0.000	0.000	0.000
684	A	698	LEU	0	-0.017	0.003	62.326	0.000	0.000	0.000	0.000	0.000	0.000
685	A	699	GLU	-1	-0.835	-0.904	56.959	0.034	0.034	0.000	0.000	0.000	0.000
686	A	700	HIS	0	-0.076	-0.047	57.106	0.001	0.001	0.000	0.000	0.000	0.000
687	A	701	GLY	0	0.039	0.030	62.191	0.000	0.000	0.000	0.000	0.000	0.000
688	A	702	PRO	0	0.027	0.002	64.660	0.000	0.000	0.000	0.000	0.000	0.000
689	A	703	THR	0	0.033	0.017	61.916	0.000	0.000	0.000	0.000	0.000	0.000
690	A	704	LEU	0	-0.033	-0.027	63.165	0.000	0.000	0.000	0.000	0.000	0.000
691	A	705	ARG	1	0.889	0.934	66.646	-0.024	-0.024	0.000	0.000	0.000	0.000
692	A	706	GLN	0	-0.021	-0.013	66.612	0.000	0.000	0.000	0.000	0.000	0.000
693	A	707	ARG	1	0.803	0.909	60.929	-0.034	-0.034	0.000	0.000	0.000	0.000
694	A	708	GLY	0	0.028	0.025	69.021	0.000	0.000	0.000	0.000	0.000	0.000
695	A	709	LEU	0	-0.041	0.002	67.908	-0.001	-0.001	0.000	0.000	0.000	0.000
696	A	710	SER	0	-0.021	-0.022	71.884	0.000	0.000	0.000	0.000	0.000	0.000
697	A	711	LEU	0	-0.034	-0.017	72.428	0.001	0.001	0.000	0.000	0.000	0.000
698	A	712	ILE	0	0.097	0.032	72.535	0.000	0.000	0.000	0.000	0.000	0.000
699	A	713	ASP	-1	-0.746	-0.859	70.984	0.023	0.023	0.000	0.000	0.000	0.000
700	A	714	ILE	0	-0.030	-0.010	66.838	0.001	0.001	0.000	0.000	0.000	0.000
701	A	715	VAL	0	0.067	0.028	68.127	0.000	0.000	0.000	0.000	0.000	0.000
702	A	716	GLU	-1	-0.860	-0.905	69.606	0.020	0.020	0.000	0.000	0.000	0.000
703	A	717	ILE	0	-0.043	-0.031	64.565	0.000	0.000	0.000	0.000	0.000	0.000
704	A	718	ALA	0	-0.024	-0.015	64.782	0.001	0.001	0.000	0.000	0.000	0.000
705	A	719	SER	0	-0.020	-0.018	65.015	0.000	0.000	0.000	0.000	0.000	0.000
706	A	720	ASN	0	-0.008	0.000	67.374	-0.001	-0.001	0.000	0.000	0.000	0.000
707	A	721	GLY	0	-0.039	-0.021	64.363	0.000	0.000	0.000	0.000	0.000	0.000
708	A	722	GLY	0	0.009	0.008	61.392	0.001	0.001	0.000	0.000	0.000	0.000
709	A	723	ALA	0	0.012	-0.004	57.979	0.001	0.001	0.000	0.000	0.000	0.000
710	A	724	GLN	0	0.003	-0.009	52.937	0.002	0.002	0.000	0.000	0.000	0.000
711	A	725	ALA	0	0.014	0.010	57.759	0.001	0.001	0.000	0.000	0.000	0.000
712	A	726	LEU	0	0.066	0.038	61.092	0.001	0.001	0.000	0.000	0.000	0.000
713	A	727	LYS	1	0.844	0.905	54.893	-0.034	-0.034	0.000	0.000	0.000	0.000
714	A	728	ALA	0	-0.044	-0.011	57.766	0.002	0.002	0.000	0.000	0.000	0.000
715	A	729	VAL	0	0.061	0.024	58.749	0.001	0.001	0.000	0.000	0.000	0.000
716	A	730	LEU	0	-0.018	-0.001	57.428	0.000	0.000	0.000	0.000	0.000	0.000
717	A	731	LYS	1	0.896	0.940	52.352	-0.045	-0.045	0.000	0.000	0.000	0.000
718	A	732	TYR	0	0.007	0.003	53.478	0.002	0.002	0.000	0.000	0.000	0.000
719	A	733	GLY	0	0.049	0.038	59.986	0.000	0.000	0.000	0.000	0.000	0.000
720	A	734	PRO	0	0.013	0.002	61.597	-0.001	-0.001	0.000	0.000	0.000	0.000
721	A	735	VAL	0	0.045	0.023	58.877	0.000	0.000	0.000	0.000	0.000	0.000
722	A	736	LEU	0	-0.011	-0.012	62.367	0.000	0.000	0.000	0.000	0.000	0.000
723	A	737	MET	0	0.018	0.013	64.943	-0.001	-0.001	0.000	0.000	0.000	0.000
724	A	738	GLN	0	-0.053	-0.030	62.107	0.000	0.000	0.000	0.000	0.000	0.000
725	A	739	ALA	0	-0.046	-0.013	64.641	0.000	0.000	0.000	0.000	0.000	0.000
726	A	740	GLY	0	0.005	0.008	66.701	-0.001	-0.001	0.000	0.000	0.000	0.000
727	A	741	ARG	1	0.799	0.900	66.501	-0.030	-0.030	0.000	0.000	0.000	0.000
728	A	742	SER	0	0.031	-0.013	70.221	0.000	0.000	0.000	0.000	0.000	0.000
729	A	743	ASN	0	0.038	-0.005	70.671	0.001	0.001	0.000	0.000	0.000	0.000
730	A	744	GLU	-1	-0.831	-0.930	70.905	0.024	0.024	0.000	0.000	0.000	0.000
731	A	745	GLU	-1	-0.820	-0.870	69.912	0.026	0.026	0.000	0.000	0.000	0.000
732	A	746	ILE	0	-0.031	-0.009	65.463	0.000	0.000	0.000	0.000	0.000	0.000
733	A	747	VAL	0	0.018	0.006	67.185	0.000	0.000	0.000	0.000	0.000	0.000
734	A	748	HIS	0	0.048	0.034	68.977	0.000	0.000	0.000	0.000	0.000	0.000
735	A	749	VAL	0	-0.041	-0.027	64.795	0.000	0.000	0.000	0.000	0.000	0.000
736	A	750	ALA	0	-0.014	-0.021	64.402	0.000	0.000	0.000	0.000	0.000	0.000
737	A	751	ALA	0	0.010	0.020	65.160	0.000	0.000	0.000	0.000	0.000	0.000
738	A	752	ARG	1	0.880	0.918	65.998	-0.024	-0.024	0.000	0.000	0.000	0.000
739	A	753	ARG	1	0.922	0.968	62.616	-0.021	-0.021	0.000	0.000	0.000	0.000
740	A	754	GLY	0	0.018	0.005	60.076	0.000	0.000	0.000	0.000	0.000	0.000
741	A	755	GLY	0	0.004	0.010	60.909	0.001	0.001	0.000	0.000	0.000	0.000
742	A	756	ALA	0	-0.005	-0.005	57.917	0.001	0.001	0.000	0.000	0.000	0.000
743	A	757	GLY	0	-0.029	-0.011	57.197	0.002	0.002	0.000	0.000	0.000	0.000
744	A	758	ARG	1	0.891	0.944	58.176	-0.026	-0.026	0.000	0.000	0.000	0.000
745	A	759	ILE	0	0.050	0.027	60.134	0.001	0.001	0.000	0.000	0.000	0.000
746	A	760	ARG	1	0.872	0.932	53.332	-0.037	-0.037	0.000	0.000	0.000	0.000
747	A	761	LYS	1	0.937	0.959	57.325	-0.033	-0.033	0.000	0.000	0.000	0.000
748	A	762	MET	0	-0.032	0.006	58.861	0.000	0.000	0.000	0.000	0.000	0.000
749	A	763	VAL	0	0.029	0.015	57.588	0.000	0.000	0.000	0.000	0.000	0.000
750	A	764	ALA	0	-0.010	0.001	56.152	0.001	0.001	0.000	0.000	0.000	0.000
751	A	765	PRO	0	-0.034	-0.024	56.869	0.001	0.001	0.000	0.000	0.000	0.000
752	A	766	LEU	0	-0.002	0.011	58.760	0.000	0.000	0.000	0.000	0.000	0.000
753	A	767	LEU	0	-0.050	-0.006	53.214	0.002	0.002	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:15:LEU)