FMO DATABASE

FMODB ID: VRQN1

Calculation Name: 1GK8-AI-Xray434

Preferred Name:

Target Type:

Ligand Name: 2-carboxyarabinitol-1,5-diphosphate

ligand 3-letter code: CAP

PDB ID: 1GK8

Chain ID: AI

ChEMBL ID:

UniProt ID: P00877

Base Structure: X-ray

Registration Date: 2023-09-26

Reference: M. Fujii, S. Tanaka, Interspecies Comparison of Interaction Energies between Photosynthetic Protein RuBisCO and 2CABP Ligand, Int. J. Mol. Sci. 2022, 23(19), 11347.

DOI: 10.3390/ijms231911347

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptH
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Manual calculation

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Manual
Number of fragment	1191
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-42803815.155179
FMO2-HF: Nuclear repulsion	42324014.587104
FMO2-HF: Total energy	-479800.568075
FMO2-MP2: Total energy	-481168.688332

3D Structure

Snapshot

Ligand structure

CAP

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.
-810.899	-825.392	189.470	-90.504	-84.473	-0.665

Interactive mode: IFIE and PIEDA for fragment #596(A:1477:CAP)

Summations of interaction energy for fragment #596(A:1477:CAP)

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.
-810.899	-825.392	189.47	-90.504	-84.473	0.665

Interaction energy analysis for fragmet #596(A:1477:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.144 / q_NPA : -3.535

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].
166	A	172	CYS	0	-0.069	-0.028	5.099	4.903	5.055	-0.001	-0.004	-0.147	0.000
167	A	173	THR	0	0.142	0.055	1.898	-19.358	-17.930	9.704	-5.964	-5.168	-0.030
168	A	174	ILE	0	-0.008	-0.007	3.988	9.478	9.782	-0.001	-0.096	-0.207	0.000
169	A	175	LYS	1	0.844	0.905	2.065	-233.875	-231.398	8.166	-4.470	-6.174	0.064
171	A	177	LYS	1	0.774	0.898	4.207	-164.037	-163.677	-0.001	-0.123	-0.237	0.000
195	A	201	KCX	-1	-0.519	-0.796	1.568	178.625	166.253	33.055	-12.611	-8.072	-0.101
197	A	203	ASP	0	0.205	0.055	4.325	5.974	6.122	-0.001	-0.034	-0.113	0.000
198	A	204	GLU	0	0.173	-0.021	4.087	-17.375	-17.040	-0.001	-0.069	-0.265	0.000
289	A	294	HIS	0	0.112	0.030	1.995	-5.780	-5.536	5.803	-2.307	-3.740	0.011
290	A	295	ARG	1	0.775	0.852	1.790	-271.692	-273.299	24.082	-13.291	-9.184	0.180
291	A	296	ALA	0	0.025	0.010	5.129	-0.102	-0.022	-0.001	-0.008	-0.071	0.000
293	A	298	HIS	1	0.813	0.882	3.418	-173.069	-171.422	0.056	-0.799	-0.903	0.007
322	A	327	HIS	0	-0.006	0.008	1.677	-60.152	-63.296	20.286	-9.408	-7.734	0.099
323	A	328	SER	0	0.020	0.002	4.791	-7.813	-7.668	-0.001	-0.019	-0.126	0.000
324	A	329	GLY	0	0.022	0.010	3.457	-11.467	-10.305	0.046	-0.601	-0.607	0.004
325	A	330	THR	0	0.037	0.023	4.425	-21.885	-21.666	0.000	-0.042	-0.178	0.000
329	A	334	LYS	1	0.771	0.875	1.860	-276.064	-276.271	10.850	-5.746	-4.898	0.076
330	A	335	LEU	0	-0.017	-0.003	2.640	-22.256	-18.714	1.887	-2.165	-3.265	0.022
331	A	336	GLU	-1	-0.778	-0.886	5.398	83.477	83.525	-0.001	-0.002	-0.045	0.000
373	A	378	ALA	0	0.041	0.037	4.749	20.287	20.470	-0.001	-0.005	-0.176	0.000
374	A	379	SER	0	-0.014	-0.035	1.951	-32.174	-28.572	7.639	-5.407	-5.833	0.032
375	A	380	GLY	0	0.090	0.043	2.095	10.087	11.746	8.725	-5.449	-4.935	0.025
376	A	381	GLY	0	-0.044	-0.034	1.831	-45.000	-51.504	10.357	-0.252	-3.601	0.054
377	A	382	ILE	0	-0.050	-0.014	3.895	-29.575	-28.876	0.019	-0.315	-0.402	0.002
396	A	401	GLN	0	0.035	-0.001	3.714	-24.889	-24.600	0.000	-0.048	-0.240	0.000
397	A	402	PHE	0	0.035	0.009	3.741	18.873	19.620	0.017	-0.272	-0.492	0.001
398	A	403	GLY	0	0.089	0.043	1.949	-40.463	-40.238	8.390	-4.967	-3.648	0.063
399	A	404	GLY	0	0.017	-0.012	1.734	-51.202	-59.848	16.296	-3.897	-3.753	0.058
400	A	405	GLY	0	-0.025	-0.014	3.609	-30.377	-29.800	0.046	-0.186	-0.436	0.006
655	A	65	THR	0	-0.030	-0.045	1.666	-11.811	-19.455	20.280	-8.589	-4.048	0.068
656	A	66	TRP	0	0.020	0.015	2.469	-46.580	-43.819	2.387	-2.119	-3.028	0.028
713	A	123	ASN	0	0.104	0.025	2.687	5.197	7.708	1.389	-1.235	-2.666	-0.004
714	A	124	VAL	0	0.008	0.006	4.985	4.433	4.520	-0.001	-0.004	-0.081	0.000
1	A	7	THR	0	-0.020	-0.013	64.325	-0.068	-0.068	0.000	0.000	0.000	0.000
2	A	8	LYS	1	0.974	0.981	59.803	-20.085	-20.085	0.000	0.000	0.000	0.000
3	A	9	ALA	0	0.027	0.021	58.636	0.085	0.085	0.000	0.000	0.000	0.000
4	A	10	GLY	0	0.013	0.004	56.056	0.056	0.056	0.000	0.000	0.000	0.000
5	A	11	ALA	0	-0.011	-0.009	50.880	-0.061	-0.061	0.000	0.000	0.000	0.000
6	A	12	GLY	0	0.040	0.016	52.475	-0.033	-0.033	0.000	0.000	0.000	0.000
7	A	13	PHE	0	-0.046	-0.006	47.304	0.328	0.328	0.000	0.000	0.000	0.000
8	A	14	LYS	1	0.911	0.952	49.560	-24.335	-24.335	0.000	0.000	0.000	0.000
9	A	15	ALA	0	0.037	0.030	48.427	0.445	0.445	0.000	0.000	0.000	0.000
10	A	16	GLY	0	0.044	0.006	47.194	-0.440	-0.440	0.000	0.000	0.000	0.000
11	A	17	VAL	0	0.008	0.009	42.142	0.250	0.250	0.000	0.000	0.000	0.000
12	A	18	LYS	1	0.877	0.950	43.292	-27.061	-27.061	0.000	0.000	0.000	0.000
13	A	19	ASP	-1	-0.872	-0.931	41.099	28.313	28.313	0.000	0.000	0.000	0.000
14	A	20	TYR	0	-0.042	-0.048	35.499	-0.319	-0.319	0.000	0.000	0.000	0.000
15	A	21	ARG	1	0.941	0.955	38.459	-29.022	-29.022	0.000	0.000	0.000	0.000
16	A	22	LEU	0	-0.060	-0.028	39.338	-0.335	-0.335	0.000	0.000	0.000	0.000
17	A	23	THR	0	-0.057	-0.023	39.629	-0.673	-0.673	0.000	0.000	0.000	0.000
18	A	24	TYR	0	0.022	0.004	35.188	-0.149	-0.149	0.000	0.000	0.000	0.000
19	A	25	TYR	0	0.015	0.024	35.593	0.587	0.587	0.000	0.000	0.000	0.000
20	A	26	THR	0	-0.082	-0.061	36.779	-0.793	-0.793	0.000	0.000	0.000	0.000
21	A	27	PRO	0	0.036	0.026	37.268	0.486	0.486	0.000	0.000	0.000	0.000
22	A	28	ASP	-1	-0.891	-0.929	38.342	27.974	27.974	0.000	0.000	0.000	0.000
23	A	29	TYR	0	-0.177	-0.113	34.138	-0.803	-0.803	0.000	0.000	0.000	0.000
24	A	30	VAL	0	0.010	0.007	37.110	0.503	0.503	0.000	0.000	0.000	0.000
25	A	31	VAL	0	-0.014	-0.007	31.781	-0.156	-0.156	0.000	0.000	0.000	0.000
26	A	32	ARG	1	0.948	0.974	34.253	-30.996	-30.996	0.000	0.000	0.000	0.000
27	A	33	ASP	-1	-0.870	-0.937	32.251	35.071	35.071	0.000	0.000	0.000	0.000
28	A	34	THR	0	-0.044	-0.039	31.152	0.613	0.613	0.000	0.000	0.000	0.000
29	A	35	ASP	-1	-0.820	-0.886	30.533	34.852	34.852	0.000	0.000	0.000	0.000
30	A	36	ILE	0	0.011	0.009	24.384	0.825	0.825	0.000	0.000	0.000	0.000
31	A	37	LEU	0	-0.039	-0.006	25.827	-1.169	-1.169	0.000	0.000	0.000	0.000
32	A	38	ALA	0	0.022	0.021	23.401	2.097	2.097	0.000	0.000	0.000	0.000
33	A	39	ALA	0	0.012	0.015	22.485	-1.909	-1.909	0.000	0.000	0.000	0.000
34	A	40	PHE	0	0.008	-0.011	22.058	2.620	2.620	0.000	0.000	0.000	0.000
35	A	41	ARG	1	0.827	0.915	19.274	-54.550	-54.550	0.000	0.000	0.000	0.000
36	A	42	MET	0	-0.005	-0.004	23.418	0.854	0.854	0.000	0.000	0.000	0.000
37	A	43	THR	0	0.011	0.008	25.158	-0.544	-0.544	0.000	0.000	0.000	0.000
38	A	44	PRO	0	0.026	0.010	27.614	0.268	0.268	0.000	0.000	0.000	0.000
39	A	45	GLN	0	-0.013	0.002	31.077	-0.051	-0.051	0.000	0.000	0.000	0.000
40	A	46	PRO	0	0.030	0.008	33.091	-0.513	-0.513	0.000	0.000	0.000	0.000
41	A	47	GLY	0	-0.005	-0.003	36.064	-0.343	-0.343	0.000	0.000	0.000	0.000
42	A	48	VAL	0	-0.040	-0.011	34.750	-0.735	-0.735	0.000	0.000	0.000	0.000
43	A	49	PRO	0	-0.011	-0.002	35.646	0.626	0.626	0.000	0.000	0.000	0.000
44	A	50	PRO	0	0.093	0.039	33.181	0.414	0.414	0.000	0.000	0.000	0.000
45	A	51	GLU	-1	-0.898	-0.957	33.829	31.590	31.590	0.000	0.000	0.000	0.000
46	A	52	GLU	-1	-0.759	-0.881	35.893	30.467	30.467	0.000	0.000	0.000	0.000
47	A	53	CYS	0	-0.022	-0.002	30.304	0.580	0.580	0.000	0.000	0.000	0.000
48	A	54	GLY	0	0.047	0.009	30.743	0.921	0.921	0.000	0.000	0.000	0.000
49	A	55	ALA	0	-0.036	-0.006	31.712	0.433	0.433	0.000	0.000	0.000	0.000
50	A	56	ALA	0	0.024	0.007	32.610	-0.041	-0.041	0.000	0.000	0.000	0.000
51	A	57	VAL	0	0.008	0.014	26.871	0.389	0.389	0.000	0.000	0.000	0.000
52	A	58	ALA	0	0.019	0.021	29.402	0.591	0.591	0.000	0.000	0.000	0.000
53	A	59	ALA	0	-0.016	0.009	31.114	-0.085	-0.085	0.000	0.000	0.000	0.000
54	A	60	GLU	-1	-0.756	-0.876	30.894	33.872	33.872	0.000	0.000	0.000	0.000
55	A	61	SER	0	-0.038	0.000	26.984	0.814	0.814	0.000	0.000	0.000	0.000
56	A	62	SER	0	-0.030	-0.044	28.794	0.003	0.003	0.000	0.000	0.000	0.000
57	A	63	THR	0	-0.024	-0.018	31.533	-0.426	-0.426	0.000	0.000	0.000	0.000
58	A	64	GLY	0	-0.007	0.005	34.517	-0.929	-0.929	0.000	0.000	0.000	0.000
59	A	65	THR	0	-0.030	-0.045	34.811	0.889	0.889	0.000	0.000	0.000	0.000
60	A	66	TRP	0	0.020	0.015	36.885	-0.540	-0.540	0.000	0.000	0.000	0.000
61	A	67	THR	0	0.002	0.003	38.597	-0.795	-0.795	0.000	0.000	0.000	0.000
62	A	68	THR	0	-0.055	-0.022	41.739	0.407	0.407	0.000	0.000	0.000	0.000
63	A	69	VAL	0	0.033	0.009	41.320	-0.423	-0.423	0.000	0.000	0.000	0.000
64	A	70	TRP	0	-0.034	-0.027	44.230	-0.171	-0.171	0.000	0.000	0.000	0.000
65	A	71	THR	0	-0.049	-0.048	42.591	-0.392	-0.392	0.000	0.000	0.000	0.000
66	A	72	ASP	-1	-0.845	-0.935	41.640	28.154	28.154	0.000	0.000	0.000	0.000
67	A	73	GLY	0	-0.052	-0.021	43.841	-0.040	-0.040	0.000	0.000	0.000	0.000
68	A	74	LEU	0	-0.098	-0.045	45.729	-0.457	-0.457	0.000	0.000	0.000	0.000
69	A	75	THR	0	-0.041	-0.024	41.233	-0.072	-0.072	0.000	0.000	0.000	0.000
70	A	76	SER	0	-0.013	-0.002	42.618	-0.261	-0.261	0.000	0.000	0.000	0.000
71	A	77	LEU	0	0.078	0.020	39.197	0.576	0.576	0.000	0.000	0.000	0.000
72	A	78	ASP	-1	-0.943	-0.962	39.392	27.723	27.723	0.000	0.000	0.000	0.000
73	A	79	ARG	1	0.869	0.948	38.900	-28.385	-28.385	0.000	0.000	0.000	0.000
74	A	80	TYR	0	-0.008	-0.014	36.082	0.307	0.307	0.000	0.000	0.000	0.000
75	A	81	LYS	1	0.847	0.931	34.821	-28.343	-28.343	0.000	0.000	0.000	0.000
76	A	82	GLY	0	0.065	0.028	31.990	0.245	0.245	0.000	0.000	0.000	0.000
77	A	83	ARG	1	0.845	0.922	32.490	-31.559	-31.559	0.000	0.000	0.000	0.000
78	A	84	CYS	0	-0.012	0.006	31.560	0.834	0.834	0.000	0.000	0.000	0.000
79	A	85	TYR	0	-0.007	-0.024	29.532	-0.661	-0.661	0.000	0.000	0.000	0.000
80	A	86	ASP	-1	-0.840	-0.922	31.793	34.283	34.283	0.000	0.000	0.000	0.000
81	A	87	ILE	0	-0.056	-0.030	31.135	1.111	1.111	0.000	0.000	0.000	0.000
82	A	88	GLU	-1	-0.824	-0.885	28.043	39.369	39.369	0.000	0.000	0.000	0.000
83	A	89	PRO	0	0.022	-0.001	29.637	1.012	1.012	0.000	0.000	0.000	0.000
84	A	90	VAL	0	-0.019	0.004	24.559	0.868	0.868	0.000	0.000	0.000	0.000
85	A	91	PRO	0	0.004	0.007	26.545	-0.735	-0.735	0.000	0.000	0.000	0.000
86	A	92	GLY	0	-0.019	-0.021	26.706	1.513	1.513	0.000	0.000	0.000	0.000
87	A	93	GLU	-1	-0.920	-0.959	24.666	45.525	45.525	0.000	0.000	0.000	0.000
88	A	94	ASP	-1	-0.889	-0.936	28.410	34.542	34.542	0.000	0.000	0.000	0.000
89	A	95	ASN	0	-0.098	-0.063	29.749	-1.518	-1.518	0.000	0.000	0.000	0.000
90	A	96	GLN	0	0.047	0.024	22.597	1.340	1.340	0.000	0.000	0.000	0.000
91	A	97	TYR	0	0.018	0.001	27.513	-1.185	-1.185	0.000	0.000	0.000	0.000
92	A	98	ILE	0	-0.039	-0.013	23.545	1.792	1.792	0.000	0.000	0.000	0.000
93	A	99	ALA	0	0.002	0.005	26.827	-1.669	-1.669	0.000	0.000	0.000	0.000
94	A	100	TYR	0	-0.038	-0.034	26.127	2.433	2.433	0.000	0.000	0.000	0.000
95	A	101	VAL	0	0.000	-0.006	27.615	-1.630	-1.630	0.000	0.000	0.000	0.000
96	A	102	ALA	0	-0.021	-0.002	28.119	1.227	1.227	0.000	0.000	0.000	0.000
97	A	103	TYR	0	-0.016	-0.058	26.167	-0.626	-0.626	0.000	0.000	0.000	0.000
98	A	104	HYP	0	0.009	0.033	30.257	0.135	0.135	0.000	0.000	0.000	0.000
99	A	105	ILE	0	0.044	0.006	29.600	0.516	0.516	0.000	0.000	0.000	0.000
100	A	106	ASP	-1	-0.900	-0.961	30.990	32.250	32.250	0.000	0.000	0.000	0.000
101	A	107	LEU	0	-0.092	-0.054	30.180	-0.434	-0.434	0.000	0.000	0.000	0.000
102	A	108	PHE	0	-0.020	0.005	25.434	0.624	0.624	0.000	0.000	0.000	0.000
103	A	109	GLU	-1	-0.795	-0.890	27.103	38.047	38.047	0.000	0.000	0.000	0.000
104	A	110	GLU	-1	-0.785	-0.874	26.594	37.456	37.456	0.000	0.000	0.000	0.000
105	A	111	GLY	0	0.048	0.032	24.447	-0.060	-0.060	0.000	0.000	0.000	0.000
106	A	112	SER	0	-0.022	-0.007	22.867	2.414	2.414	0.000	0.000	0.000	0.000
107	A	113	VAL	0	0.031	0.016	16.731	-0.853	-0.853	0.000	0.000	0.000	0.000
108	A	114	THR	0	0.000	0.004	20.136	0.856	0.856	0.000	0.000	0.000	0.000
109	A	115	ASN	0	0.003	0.004	20.957	-0.869	-0.869	0.000	0.000	0.000	0.000
110	A	116	MET	0	-0.016	0.007	19.343	-1.136	-1.136	0.000	0.000	0.000	0.000
111	A	117	PHE	0	0.009	-0.022	15.000	-0.073	-0.073	0.000	0.000	0.000	0.000
112	A	118	THR	0	-0.013	0.023	20.703	0.412	0.412	0.000	0.000	0.000	0.000
113	A	119	SER	0	0.023	0.010	23.513	-1.400	-1.400	0.000	0.000	0.000	0.000
114	A	120	ILE	0	-0.058	-0.010	22.237	-0.558	-0.558	0.000	0.000	0.000	0.000
115	A	121	VAL	0	-0.012	-0.028	18.531	-0.067	-0.067	0.000	0.000	0.000	0.000
116	A	122	GLY	0	0.012	0.029	21.849	0.895	0.895	0.000	0.000	0.000	0.000
117	A	123	ASN	0	0.104	0.025	23.833	1.424	1.424	0.000	0.000	0.000	0.000
118	A	124	VAL	0	0.008	0.006	24.584	-0.229	-0.229	0.000	0.000	0.000	0.000
119	A	125	PHE	0	0.013	0.007	19.856	-0.804	-0.804	0.000	0.000	0.000	0.000
120	A	126	GLY	0	0.040	0.013	24.099	0.549	0.549	0.000	0.000	0.000	0.000
121	A	127	PHE	0	-0.028	0.000	26.435	-1.328	-1.328	0.000	0.000	0.000	0.000
122	A	128	LYS	1	0.825	0.910	29.459	-32.534	-32.534	0.000	0.000	0.000	0.000
123	A	129	ALA	0	-0.013	0.002	31.856	0.016	0.016	0.000	0.000	0.000	0.000
124	A	130	LEU	0	-0.030	-0.013	26.101	-0.360	-0.360	0.000	0.000	0.000	0.000
125	A	131	ARG	1	0.820	0.891	27.878	-38.325	-38.325	0.000	0.000	0.000	0.000
126	A	132	ALA	0	0.001	-0.003	22.722	1.318	1.318	0.000	0.000	0.000	0.000
127	A	133	LEU	0	-0.027	-0.010	22.517	-1.836	-1.836	0.000	0.000	0.000	0.000
128	A	134	ARG	1	0.847	0.912	13.300	-66.328	-66.328	0.000	0.000	0.000	0.000
129	A	135	LEU	0	-0.030	0.005	18.271	-2.051	-2.051	0.000	0.000	0.000	0.000
130	A	136	GLU	-1	-0.769	-0.873	17.387	63.416	63.416	0.000	0.000	0.000	0.000
131	A	137	ASP	-1	-0.794	-0.917	17.598	58.304	58.304	0.000	0.000	0.000	0.000
132	A	138	LEU	0	0.018	0.000	18.950	-2.116	-2.116	0.000	0.000	0.000	0.000
133	A	139	ARG	1	0.857	0.955	20.985	-38.505	-38.505	0.000	0.000	0.000	0.000
134	A	140	ILE	0	0.022	-0.009	20.362	-1.699	-1.699	0.000	0.000	0.000	0.000
135	A	141	PRO	0	-0.004	0.022	23.617	0.240	0.240	0.000	0.000	0.000	0.000
136	A	142	PRO	0	0.137	0.051	26.618	0.391	0.391	0.000	0.000	0.000	0.000
137	A	143	ALA	0	-0.026	-0.016	27.929	0.092	0.092	0.000	0.000	0.000	0.000
138	A	144	TYR	0	0.001	-0.016	23.502	0.042	0.042	0.000	0.000	0.000	0.000
139	A	145	VAL	0	0.029	0.020	22.912	0.599	0.599	0.000	0.000	0.000	0.000
140	A	146	LYS	1	0.924	0.950	24.810	-39.115	-39.115	0.000	0.000	0.000	0.000
141	A	147	THR	0	-0.085	-0.035	26.345	-0.606	-0.606	0.000	0.000	0.000	0.000
142	A	148	PHE	0	-0.004	-0.010	21.352	0.182	0.182	0.000	0.000	0.000	0.000
143	A	149	VAL	0	-0.021	0.000	22.726	-0.618	-0.618	0.000	0.000	0.000	0.000
144	A	150	GLY	0	0.021	0.001	19.746	-0.299	-0.299	0.000	0.000	0.000	0.000
145	A	151	HYP	0	-0.016	0.001	16.577	1.874	1.874	0.000	0.000	0.000	0.000
146	A	152	PRO	0	-0.062	-0.020	17.245	-3.022	-3.022	0.000	0.000	0.000	0.000
147	A	153	HIS	0	-0.066	-0.037	18.980	-5.405	-5.405	0.000	0.000	0.000	0.000
148	A	154	GLY	0	0.034	0.007	17.619	-2.051	-2.051	0.000	0.000	0.000	0.000
149	A	155	ILE	0	-0.023	-0.013	15.326	-1.180	-1.180	0.000	0.000	0.000	0.000
150	A	156	GLN	0	-0.039	-0.016	18.087	0.331	0.331	0.000	0.000	0.000	0.000
151	A	157	VAL	0	0.055	0.030	21.756	-0.738	-0.738	0.000	0.000	0.000	0.000
152	A	158	GLU	-1	-0.804	-0.887	15.240	74.336	74.336	0.000	0.000	0.000	0.000
153	A	159	ARG	1	0.803	0.884	17.554	-63.370	-63.370	0.000	0.000	0.000	0.000
154	A	160	ASP	-1	-0.791	-0.881	20.826	46.023	46.023	0.000	0.000	0.000	0.000
155	A	161	LYS	1	0.816	0.928	21.546	-50.237	-50.237	0.000	0.000	0.000	0.000
156	A	162	LEU	0	-0.037	-0.021	16.923	-0.997	-0.997	0.000	0.000	0.000	0.000
157	A	163	ASN	0	-0.023	-0.006	21.342	-0.909	-0.909	0.000	0.000	0.000	0.000
158	A	164	LYS	1	0.757	0.879	17.665	-62.200	-62.200	0.000	0.000	0.000	0.000
159	A	165	TYR	0	-0.019	-0.042	21.326	1.186	1.186	0.000	0.000	0.000	0.000
160	A	166	GLY	0	0.029	0.027	22.071	-0.444	-0.444	0.000	0.000	0.000	0.000
161	A	167	ARG	1	0.782	0.883	15.538	-66.473	-66.473	0.000	0.000	0.000	0.000
162	A	168	GLY	0	0.048	0.035	15.046	0.208	0.208	0.000	0.000	0.000	0.000
163	A	169	LEU	0	-0.016	-0.008	13.354	-1.814	-1.814	0.000	0.000	0.000	0.000
164	A	170	LEU	0	-0.006	-0.001	10.310	6.387	6.387	0.000	0.000	0.000	0.000
165	A	171	GLY	0	0.052	0.009	8.619	-5.847	-5.847	0.000	0.000	0.000	0.000
170	A	176	PRO	0	0.035	0.018	6.980	-7.507	-7.507	0.000	0.000	0.000	0.000
172	A	178	LEU	0	-0.025	-0.006	7.377	-6.125	-6.125	0.000	0.000	0.000	0.000
173	A	179	GLY	0	0.054	0.018	10.897	0.196	0.196	0.000	0.000	0.000	0.000
174	A	180	LEU	0	-0.047	-0.002	11.247	-5.655	-5.655	0.000	0.000	0.000	0.000
175	A	181	SER	0	0.053	0.025	14.365	-0.009	-0.009	0.000	0.000	0.000	0.000
176	A	182	ALA	0	0.089	0.030	15.935	2.467	2.467	0.000	0.000	0.000	0.000
177	A	183	LYS	1	0.951	0.987	16.863	-46.558	-46.558	0.000	0.000	0.000	0.000
178	A	184	ASN	0	-0.002	-0.022	15.735	-1.323	-1.323	0.000	0.000	0.000	0.000
179	A	185	TYR	0	0.082	0.044	8.090	1.901	1.901	0.000	0.000	0.000	0.000
180	A	186	GLY	0	0.054	0.029	13.503	2.554	2.554	0.000	0.000	0.000	0.000
181	A	187	ARG	1	0.913	0.958	16.002	-55.805	-55.805	0.000	0.000	0.000	0.000
182	A	188	ALA	0	-0.013	-0.010	11.511	-0.253	-0.253	0.000	0.000	0.000	0.000
183	A	189	VAL	0	0.058	0.019	11.186	1.867	1.867	0.000	0.000	0.000	0.000
184	A	190	TYR	0	-0.060	-0.058	13.175	-0.435	-0.435	0.000	0.000	0.000	0.000
185	A	191	GLU	-1	-0.905	-0.953	14.816	58.349	58.349	0.000	0.000	0.000	0.000
186	A	192	CYS	0	-0.042	-0.023	9.374	-0.088	-0.088	0.000	0.000	0.000	0.000
187	A	193	LEU	0	0.024	0.019	12.706	-1.261	-1.261	0.000	0.000	0.000	0.000
188	A	194	ARG	1	0.735	0.841	14.697	-57.111	-57.111	0.000	0.000	0.000	0.000
189	A	195	GLY	0	-0.023	-0.006	15.672	-2.923	-2.923	0.000	0.000	0.000	0.000
190	A	196	GLY	0	0.034	0.020	15.836	-0.284	-0.284	0.000	0.000	0.000	0.000
191	A	197	LEU	0	-0.064	-0.021	9.243	0.098	0.098	0.000	0.000	0.000	0.000
192	A	198	ASP	-1	-0.754	-0.845	12.830	68.092	68.092	0.000	0.000	0.000	0.000
193	A	199	PHE	0	0.018	-0.005	10.501	-3.588	-3.588	0.000	0.000	0.000	0.000
194	A	200	THR	0	-0.044	-0.043	8.488	3.249	3.249	0.000	0.000	0.000	0.000
196	A	202	ASP	-1	-0.703	-0.839	6.684	86.831	86.831	0.000	0.000	0.000	0.000
200	A	205	ASN	0	0.012	-0.005	5.704	-4.423	-4.423	0.000	0.000	0.000	0.000
201	A	206	VAL	0	-0.055	-0.006	8.323	-9.273	-9.273	0.000	0.000	0.000	0.000
202	A	207	ASN	0	-0.013	0.001	10.218	-2.816	-2.816	0.000	0.000	0.000	0.000
203	A	208	SER	0	0.022	0.004	13.057	-1.920	-1.920	0.000	0.000	0.000	0.000
204	A	209	GLN	0	0.014	-0.003	12.401	-1.006	-1.006	0.000	0.000	0.000	0.000
205	A	210	PRO	0	-0.002	-0.001	17.485	-1.066	-1.066	0.000	0.000	0.000	0.000
206	A	211	PHE	0	-0.041	-0.006	12.855	-1.500	-1.500	0.000	0.000	0.000	0.000
207	A	212	MET	0	-0.080	-0.028	12.118	-0.584	-0.584	0.000	0.000	0.000	0.000
208	A	213	ARG	1	0.841	0.922	16.723	-50.571	-50.571	0.000	0.000	0.000	0.000
209	A	214	TRP	0	0.057	0.014	16.580	0.346	0.346	0.000	0.000	0.000	0.000
210	A	215	ARG	1	0.963	0.987	17.558	-44.452	-44.452	0.000	0.000	0.000	0.000
211	A	216	ASP	-1	-0.887	-0.950	19.925	48.953	48.953	0.000	0.000	0.000	0.000
212	A	217	ARG	1	0.787	0.864	12.296	-75.616	-75.616	0.000	0.000	0.000	0.000
213	A	218	PHE	0	-0.008	-0.011	14.719	0.523	0.523	0.000	0.000	0.000	0.000
214	A	219	LEU	0	0.014	0.008	17.756	-0.575	-0.575	0.000	0.000	0.000	0.000
215	A	220	PHE	0	0.007	-0.006	18.252	-0.993	-0.993	0.000	0.000	0.000	0.000
216	A	221	VAL	0	0.003	0.003	13.622	0.169	0.169	0.000	0.000	0.000	0.000
217	A	222	ALA	0	0.014	0.014	16.534	0.277	0.277	0.000	0.000	0.000	0.000
218	A	223	GLU	-1	-0.982	-0.980	19.424	46.709	46.709	0.000	0.000	0.000	0.000
219	A	224	ALA	0	-0.028	-0.022	16.673	-0.966	-0.966	0.000	0.000	0.000	0.000
220	A	225	ILE	0	0.010	0.001	15.555	0.102	0.102	0.000	0.000	0.000	0.000
221	A	226	TYR	0	-0.024	-0.024	18.147	-0.669	-0.669	0.000	0.000	0.000	0.000
222	A	227	LYS	1	0.901	0.969	21.145	-49.035	-49.035	0.000	0.000	0.000	0.000
223	A	228	ALA	0	0.039	0.006	18.305	-1.324	-1.324	0.000	0.000	0.000	0.000
224	A	229	GLN	0	0.025	0.027	20.238	1.595	1.595	0.000	0.000	0.000	0.000
225	A	230	ALA	0	-0.013	0.002	21.748	-1.533	-1.533	0.000	0.000	0.000	0.000
226	A	231	GLU	-1	-0.814	-0.873	21.849	49.723	49.723	0.000	0.000	0.000	0.000
227	A	232	THR	0	0.005	-0.017	19.310	-1.084	-1.084	0.000	0.000	0.000	0.000
228	A	233	GLY	0	-0.016	0.009	22.750	-0.921	-0.921	0.000	0.000	0.000	0.000
229	A	234	GLU	-1	-0.760	-0.851	19.390	56.724	56.724	0.000	0.000	0.000	0.000
230	A	235	VAL	0	0.013	-0.002	19.410	0.572	0.572	0.000	0.000	0.000	0.000
231	A	236	LYS	1	0.840	0.933	16.492	-61.984	-61.984	0.000	0.000	0.000	0.000
232	A	237	GLY	0	0.025	-0.001	15.091	-2.897	-2.897	0.000	0.000	0.000	0.000
233	A	238	HIS	0	-0.022	-0.014	9.586	3.510	3.510	0.000	0.000	0.000	0.000
234	A	239	TYR	0	-0.018	-0.026	6.975	-8.566	-8.566	0.000	0.000	0.000	0.000
235	A	240	LEU	0	-0.030	-0.005	9.939	4.157	4.157	0.000	0.000	0.000	0.000
236	A	241	ASN	0	0.010	-0.017	8.419	-5.780	-5.780	0.000	0.000	0.000	0.000
237	A	242	ALA	0	-0.020	-0.007	11.298	-4.334	-4.334	0.000	0.000	0.000	0.000
238	A	243	THR	0	-0.002	0.008	10.070	-5.365	-5.365	0.000	0.000	0.000	0.000
239	A	244	ALA	0	-0.004	-0.005	13.147	-0.861	-0.861	0.000	0.000	0.000	0.000
240	A	245	GLY	0	0.045	0.024	16.261	0.841	0.841	0.000	0.000	0.000	0.000
241	A	246	THR	0	0.026	0.021	18.870	-0.540	-0.540	0.000	0.000	0.000	0.000
242	A	247	CYS	0	0.077	-0.009	20.193	1.321	1.321	0.000	0.000	0.000	0.000
243	A	248	GLU	-1	-0.820	-0.887	21.591	44.826	44.826	0.000	0.000	0.000	0.000
244	A	249	GLU	-1	-0.833	-0.908	19.818	48.916	48.916	0.000	0.000	0.000	0.000
245	A	250	MET	0	-0.025	0.012	16.358	1.126	1.126	0.000	0.000	0.000	0.000
246	A	251	MET	0	-0.001	-0.002	18.563	1.168	1.168	0.000	0.000	0.000	0.000
247	A	252	LYS	1	0.831	0.907	21.274	-45.988	-45.988	0.000	0.000	0.000	0.000
248	A	253	ARG	1	0.733	0.855	15.730	-59.735	-59.735	0.000	0.000	0.000	0.000
249	A	254	ALA	0	0.050	0.024	18.272	0.635	0.635	0.000	0.000	0.000	0.000
250	A	255	VAL	0	-0.003	0.001	19.104	-0.586	-0.586	0.000	0.000	0.000	0.000
251	A	256	SMC	0	-0.060	-0.010	20.491	-0.379	-0.379	0.000	0.000	0.000	0.000
252	A	257	ALA	0	0.051	0.013	17.685	-0.605	-0.605	0.000	0.000	0.000	0.000
253	A	258	LYS	1	0.899	0.935	19.734	-43.610	-43.610	0.000	0.000	0.000	0.000
254	A	259	GLU	-1	-1.023	-1.017	22.592	40.381	40.381	0.000	0.000	0.000	0.000
255	A	260	LEU	0	-0.075	-0.026	20.515	-1.234	-1.234	0.000	0.000	0.000	0.000
256	A	261	GLY	0	0.010	0.020	23.398	-0.008	-0.008	0.000	0.000	0.000	0.000
257	A	262	VAL	0	-0.036	-0.015	17.993	0.492	0.492	0.000	0.000	0.000	0.000
258	A	263	PRO	0	0.026	0.003	16.832	-0.213	-0.213	0.000	0.000	0.000	0.000
259	A	264	ILE	0	-0.018	-0.004	12.272	0.180	0.180	0.000	0.000	0.000	0.000
260	A	265	ILE	0	-0.005	0.011	13.075	0.235	0.235	0.000	0.000	0.000	0.000
261	A	266	MET	0	-0.053	-0.011	5.280	2.134	2.134	0.000	0.000	0.000	0.000
262	A	267	HIS	0	-0.033	-0.028	10.031	-6.331	-6.331	0.000	0.000	0.000	0.000
263	A	268	ASP	-1	-0.768	-0.902	7.627	111.968	111.968	0.000	0.000	0.000	0.000
264	A	269	TYR	0	-0.034	-0.018	7.494	-2.289	-2.289	0.000	0.000	0.000	0.000
265	A	270	LEU	0	-0.025	0.000	7.937	-6.403	-6.403	0.000	0.000	0.000	0.000
266	A	271	THR	0	-0.042	-0.033	10.090	-4.236	-4.236	0.000	0.000	0.000	0.000
267	A	272	GLY	0	0.012	0.017	12.427	-4.585	-4.585	0.000	0.000	0.000	0.000
268	A	273	GLY	0	-0.002	-0.008	13.831	-4.936	-4.936	0.000	0.000	0.000	0.000
269	A	274	PHE	0	0.060	0.007	13.542	0.731	0.731	0.000	0.000	0.000	0.000
270	A	275	THR	0	-0.012	0.016	16.748	-0.510	-0.510	0.000	0.000	0.000	0.000
271	A	276	ALA	0	0.021	-0.009	17.601	-1.285	-1.285	0.000	0.000	0.000	0.000
272	A	277	ASN	0	0.050	0.016	13.824	3.316	3.316	0.000	0.000	0.000	0.000
273	A	278	THR	0	-0.008	0.011	16.455	0.248	0.248	0.000	0.000	0.000	0.000
274	A	279	SER	0	-0.012	-0.030	19.270	-1.340	-1.340	0.000	0.000	0.000	0.000
275	A	280	LEU	0	-0.014	-0.003	14.973	-1.488	-1.488	0.000	0.000	0.000	0.000
276	A	281	ALA	0	0.043	0.014	17.405	-0.493	-0.493	0.000	0.000	0.000	0.000
277	A	282	ILE	0	-0.004	-0.002	19.042	-1.249	-1.249	0.000	0.000	0.000	0.000
278	A	283	TYR	0	0.052	0.025	20.578	-1.206	-1.206	0.000	0.000	0.000	0.000
279	A	284	CYS	0	-0.040	-0.013	17.848	-0.333	-0.333	0.000	0.000	0.000	0.000
280	A	285	ARG	1	0.845	0.913	20.455	-48.899	-48.899	0.000	0.000	0.000	0.000
281	A	286	ASP	-1	-0.934	-0.963	23.102	41.542	41.542	0.000	0.000	0.000	0.000
282	A	287	ASN	0	-0.115	-0.057	23.069	-3.050	-3.050	0.000	0.000	0.000	0.000
283	A	288	GLY	0	-0.012	0.014	23.078	-0.075	-0.075	0.000	0.000	0.000	0.000
284	A	289	LEU	0	-0.036	-0.019	17.832	0.710	0.710	0.000	0.000	0.000	0.000
285	A	290	LEU	0	-0.019	-0.012	15.395	0.049	0.049	0.000	0.000	0.000	0.000
286	A	291	LEU	0	0.010	-0.005	12.989	1.147	1.147	0.000	0.000	0.000	0.000
287	A	292	HIS	0	0.010	0.001	5.301	-8.117	-8.117	0.000	0.000	0.000	0.000
288	A	293	ILE	0	-0.001	0.004	8.300	-0.626	-0.626	0.000	0.000	0.000	0.000
292	A	297	MET	0	0.015	-0.003	6.055	-12.393	-12.393	0.000	0.000	0.000	0.000
294	A	299	ALA	0	0.017	0.023	6.638	-7.580	-7.580	0.000	0.000	0.000	0.000
295	A	300	VAL	0	-0.045	-0.010	8.407	-7.876	-7.876	0.000	0.000	0.000	0.000
296	A	301	ILE	0	-0.024	-0.019	10.827	-6.721	-6.721	0.000	0.000	0.000	0.000
297	A	302	ASP	-1	-0.763	-0.865	8.328	107.535	107.535	0.000	0.000	0.000	0.000
298	A	303	ARG	1	0.791	0.903	9.132	-95.611	-95.611	0.000	0.000	0.000	0.000
299	A	304	GLN	0	-0.029	-0.028	11.252	-5.172	-5.172	0.000	0.000	0.000	0.000
300	A	305	ARG	1	0.846	0.927	14.982	-53.933	-53.933	0.000	0.000	0.000	0.000
301	A	306	ASN	0	-0.018	-0.023	17.138	0.348	0.348	0.000	0.000	0.000	0.000
302	A	307	HIS	0	-0.013	-0.024	18.192	-3.790	-3.790	0.000	0.000	0.000	0.000
303	A	308	GLY	0	0.051	0.043	15.940	2.993	2.993	0.000	0.000	0.000	0.000
304	A	309	ILE	0	-0.039	-0.032	14.145	-3.818	-3.818	0.000	0.000	0.000	0.000
305	A	310	HIS	0	0.013	0.028	11.810	4.415	4.415	0.000	0.000	0.000	0.000
306	A	311	PHE	0	0.082	0.035	6.895	1.755	1.755	0.000	0.000	0.000	0.000
307	A	312	ARG	1	0.911	0.929	10.535	-65.258	-65.258	0.000	0.000	0.000	0.000
308	A	313	VAL	0	-0.029	-0.002	13.076	-2.353	-2.353	0.000	0.000	0.000	0.000
309	A	314	LEU	0	-0.008	-0.003	9.636	-1.883	-1.883	0.000	0.000	0.000	0.000
310	A	315	ALA	0	0.016	0.018	10.248	0.722	0.722	0.000	0.000	0.000	0.000
311	A	316	LYS	1	0.829	0.909	11.461	-58.362	-58.362	0.000	0.000	0.000	0.000
312	A	317	ALA	0	0.014	0.005	14.006	-2.575	-2.575	0.000	0.000	0.000	0.000
313	A	318	LEU	0	-0.004	0.001	10.355	-2.305	-2.305	0.000	0.000	0.000	0.000
314	A	319	ARG	1	0.786	0.908	13.265	-61.301	-61.301	0.000	0.000	0.000	0.000
315	A	320	MET	0	-0.018	-0.011	15.506	-2.364	-2.364	0.000	0.000	0.000	0.000
316	A	321	SER	0	-0.059	-0.035	15.578	-1.032	-1.032	0.000	0.000	0.000	0.000
317	A	322	GLY	0	0.032	0.006	15.932	-2.375	-2.375	0.000	0.000	0.000	0.000
318	A	323	GLY	0	0.027	-0.018	13.180	2.527	2.527	0.000	0.000	0.000	0.000
319	A	324	ASP	-1	-0.733	-0.844	14.207	62.548	62.548	0.000	0.000	0.000	0.000
320	A	325	HIS	1	0.733	0.835	9.541	-90.117	-90.117	0.000	0.000	0.000	0.000
321	A	326	LEU	0	0.041	0.021	6.846	-1.782	-1.782	0.000	0.000	0.000	0.000
326	A	331	VAL	0	0.033	0.039	7.043	-11.965	-11.965	0.000	0.000	0.000	0.000
327	A	332	VAL	0	-0.017	-0.020	9.144	-3.995	-3.995	0.000	0.000	0.000	0.000
328	A	333	GLY	0	0.009	0.016	7.099	-4.103	-4.103	0.000	0.000	0.000	0.000
332	A	337	GLY	0	0.028	0.002	5.873	12.583	12.583	0.000	0.000	0.000	0.000
333	A	338	GLU	-1	-0.814	-0.894	8.059	67.899	67.899	0.000	0.000	0.000	0.000
334	A	339	ARG	1	0.889	0.932	11.741	-64.334	-64.334	0.000	0.000	0.000	0.000
335	A	340	GLU	-1	-0.854	-0.933	13.482	61.110	61.110	0.000	0.000	0.000	0.000
336	A	341	VAL	0	-0.040	-0.025	11.250	-0.966	-0.966	0.000	0.000	0.000	0.000
337	A	342	THR	0	-0.047	-0.041	9.139	4.042	4.042	0.000	0.000	0.000	0.000
338	A	343	LEU	0	-0.030	-0.015	11.286	0.169	0.169	0.000	0.000	0.000	0.000
339	A	344	GLY	0	0.044	0.035	14.454	-2.156	-2.156	0.000	0.000	0.000	0.000
340	A	345	PHE	0	-0.025	-0.018	7.786	-1.897	-1.897	0.000	0.000	0.000	0.000
341	A	346	VAL	0	0.006	-0.011	10.732	1.482	1.482	0.000	0.000	0.000	0.000
342	A	347	ASP	-1	-0.853	-0.917	13.097	59.943	59.943	0.000	0.000	0.000	0.000
343	A	348	LEU	0	-0.093	-0.042	15.349	-2.120	-2.120	0.000	0.000	0.000	0.000
344	A	349	MET	0	-0.078	-0.021	9.430	1.151	1.151	0.000	0.000	0.000	0.000
345	A	350	ARG	1	0.833	0.915	14.113	-72.711	-72.711	0.000	0.000	0.000	0.000
346	A	351	ASP	-1	-0.863	-0.918	16.594	54.915	54.915	0.000	0.000	0.000	0.000
347	A	352	ASP	-1	-0.896	-0.960	20.067	45.820	45.820	0.000	0.000	0.000	0.000
348	A	353	TYR	0	-0.021	-0.014	23.231	-0.977	-0.977	0.000	0.000	0.000	0.000
349	A	354	VAL	0	0.017	0.019	19.570	0.424	0.424	0.000	0.000	0.000	0.000
350	A	355	GLU	-1	-0.886	-0.956	22.957	39.660	39.660	0.000	0.000	0.000	0.000
351	A	356	LYS	1	0.912	0.958	23.487	-39.272	-39.272	0.000	0.000	0.000	0.000
352	A	357	ASP	-1	-0.788	-0.890	21.869	48.887	48.887	0.000	0.000	0.000	0.000
353	A	358	ARG	1	0.873	0.938	21.393	-43.449	-43.449	0.000	0.000	0.000	0.000
354	A	359	SER	0	-0.097	-0.055	21.328	1.537	1.537	0.000	0.000	0.000	0.000
355	A	360	ARG	1	0.983	0.987	17.427	-56.287	-56.287	0.000	0.000	0.000	0.000
356	A	361	GLY	0	-0.049	-0.036	17.073	2.991	2.991	0.000	0.000	0.000	0.000
357	A	362	ILE	0	-0.026	0.006	18.415	1.069	1.069	0.000	0.000	0.000	0.000
358	A	363	TYR	0	-0.051	-0.048	19.366	-3.315	-3.315	0.000	0.000	0.000	0.000
359	A	364	PHE	0	-0.054	-0.039	22.486	-2.726	-2.726	0.000	0.000	0.000	0.000
360	A	365	THR	0	0.033	0.027	23.116	1.843	1.843	0.000	0.000	0.000	0.000
361	A	366	GLN	0	-0.052	-0.017	20.197	0.003	0.003	0.000	0.000	0.000	0.000
362	A	367	ASP	-1	-0.839	-0.923	23.396	41.989	41.989	0.000	0.000	0.000	0.000
363	A	368	TRP	0	-0.025	-0.027	17.567	-0.171	-0.171	0.000	0.000	0.000	0.000
364	A	369	SMC	0	-0.044	-0.013	23.435	-0.482	-0.482	0.000	0.000	0.000	0.000
365	A	370	SER	0	-0.028	-0.028	25.486	-1.396	-1.396	0.000	0.000	0.000	0.000
366	A	371	MET	0	-0.080	-0.002	20.144	1.061	1.061	0.000	0.000	0.000	0.000
367	A	372	PRO	0	0.032	0.014	19.868	1.072	1.072	0.000	0.000	0.000	0.000
368	A	373	GLY	0	0.046	0.037	17.778	1.288	1.288	0.000	0.000	0.000	0.000
369	A	374	VAL	0	-0.025	-0.026	11.706	0.010	0.010	0.000	0.000	0.000	0.000
370	A	375	MET	0	0.001	0.005	11.657	0.498	0.498	0.000	0.000	0.000	0.000
371	A	376	PRO	0	0.003	0.006	9.017	6.088	6.088	0.000	0.000	0.000	0.000
372	A	377	VAL	0	-0.018	-0.013	5.355	-3.931	-3.931	0.000	0.000	0.000	0.000
378	A	383	HIS	0	0.009	-0.028	5.856	5.842	5.842	0.000	0.000	0.000	0.000
379	A	384	VAL	0	0.065	0.027	8.563	-4.145	-4.145	0.000	0.000	0.000	0.000
380	A	385	TRP	0	-0.088	-0.047	11.821	-6.831	-6.831	0.000	0.000	0.000	0.000
381	A	386	HIS	0	0.034	0.024	9.025	0.378	0.378	0.000	0.000	0.000	0.000
382	A	387	MET	0	-0.033	0.013	10.833	0.745	0.745	0.000	0.000	0.000	0.000
383	A	388	PRO	0	0.020	-0.004	13.370	-1.133	-1.133	0.000	0.000	0.000	0.000
384	A	389	ALA	0	0.011	0.014	14.533	-1.661	-1.661	0.000	0.000	0.000	0.000
385	A	390	LEU	0	-0.001	0.003	9.498	0.737	0.737	0.000	0.000	0.000	0.000
386	A	391	VAL	0	0.020	0.003	13.214	-0.883	-0.883	0.000	0.000	0.000	0.000
387	A	392	GLU	-1	-0.900	-0.933	16.036	62.261	62.261	0.000	0.000	0.000	0.000
388	A	393	ILE	0	-0.034	-0.006	12.075	-1.529	-1.529	0.000	0.000	0.000	0.000
389	A	394	PHE	0	-0.027	-0.013	8.574	0.126	0.126	0.000	0.000	0.000	0.000
390	A	395	GLY	0	0.027	0.022	13.931	-2.846	-2.846	0.000	0.000	0.000	0.000
391	A	396	ASP	-1	-0.833	-0.922	15.566	63.631	63.631	0.000	0.000	0.000	0.000
392	A	397	ASP	-1	-0.876	-0.920	15.847	63.358	63.358	0.000	0.000	0.000	0.000
393	A	398	ALA	0	0.042	-0.001	10.722	2.378	2.378	0.000	0.000	0.000	0.000
394	A	399	CYS	0	-0.075	-0.012	9.532	-4.075	-4.075	0.000	0.000	0.000	0.000
395	A	400	LEU	0	0.014	0.005	8.589	10.537	10.537	0.000	0.000	0.000	0.000
401	A	406	THR	0	-0.030	-0.025	6.006	-20.808	-20.808	0.000	0.000	0.000	0.000
402	A	407	LEU	0	-0.022	-0.027	6.257	-13.188	-13.188	0.000	0.000	0.000	0.000
403	A	408	GLY	0	0.025	0.010	7.298	-6.935	-6.935	0.000	0.000	0.000	0.000
404	A	409	HIS	0	-0.027	-0.005	8.518	-6.204	-6.204	0.000	0.000	0.000	0.000
405	A	410	PRO	0	-0.002	-0.012	11.461	-2.439	-2.439	0.000	0.000	0.000	0.000
406	A	411	TRP	0	-0.046	-0.057	14.643	-3.984	-3.984	0.000	0.000	0.000	0.000
407	A	412	GLY	0	0.040	0.037	13.526	-3.011	-3.011	0.000	0.000	0.000	0.000
408	A	413	ASN	0	0.024	0.002	10.987	3.545	3.545	0.000	0.000	0.000	0.000
409	A	414	ALA	0	0.053	0.047	12.619	2.192	2.192	0.000	0.000	0.000	0.000
410	A	415	PRO	0	0.007	-0.017	15.298	0.270	0.270	0.000	0.000	0.000	0.000
411	A	416	GLY	0	0.029	0.009	11.522	0.260	0.260	0.000	0.000	0.000	0.000
412	A	417	ALA	0	-0.028	-0.007	11.265	3.613	3.613	0.000	0.000	0.000	0.000
413	A	418	ALA	0	0.031	0.034	12.226	-0.061	-0.061	0.000	0.000	0.000	0.000
414	A	419	ALA	0	-0.046	-0.019	12.993	-1.461	-1.461	0.000	0.000	0.000	0.000
415	A	420	ASN	0	0.007	-0.007	8.487	-1.871	-1.871	0.000	0.000	0.000	0.000
416	A	421	ARG	1	0.742	0.856	12.025	-62.849	-62.849	0.000	0.000	0.000	0.000
417	A	422	VAL	0	0.023	0.012	14.754	-2.477	-2.477	0.000	0.000	0.000	0.000
418	A	423	ALA	0	-0.023	-0.008	13.780	-2.132	-2.132	0.000	0.000	0.000	0.000
419	A	424	LEU	0	0.020	-0.001	13.692	-1.689	-1.689	0.000	0.000	0.000	0.000
420	A	425	GLU	-1	-0.748	-0.875	15.564	53.958	53.958	0.000	0.000	0.000	0.000
421	A	426	ALA	0	0.007	0.004	18.905	-2.691	-2.691	0.000	0.000	0.000	0.000
422	A	427	CYS	0	-0.055	-0.031	17.396	-1.662	-1.662	0.000	0.000	0.000	0.000
423	A	428	THR	0	-0.006	-0.006	18.411	-1.081	-1.081	0.000	0.000	0.000	0.000
424	A	429	GLN	0	-0.009	-0.001	20.829	-3.238	-3.238	0.000	0.000	0.000	0.000
425	A	430	ALA	0	-0.011	-0.007	22.894	-1.783	-1.783	0.000	0.000	0.000	0.000
426	A	431	ARG	1	0.826	0.899	19.902	-57.951	-57.951	0.000	0.000	0.000	0.000
427	A	432	ASN	0	-0.020	-0.022	24.421	-0.053	-0.053	0.000	0.000	0.000	0.000
428	A	433	GLU	-1	-0.951	-0.978	26.716	41.402	41.402	0.000	0.000	0.000	0.000
429	A	434	GLY	0	-0.028	-0.006	28.037	-1.589	-1.589	0.000	0.000	0.000	0.000
430	A	435	ARG	1	0.861	0.947	25.812	-46.037	-46.037	0.000	0.000	0.000	0.000
431	A	436	ASP	-1	-0.821	-0.923	24.955	50.675	50.675	0.000	0.000	0.000	0.000
432	A	437	LEU	0	-0.006	-0.019	19.304	0.474	0.474	0.000	0.000	0.000	0.000
433	A	438	ALA	0	0.008	0.010	21.223	2.129	2.129	0.000	0.000	0.000	0.000
434	A	439	ARG	1	0.872	0.941	22.219	-43.280	-43.280	0.000	0.000	0.000	0.000
435	A	440	GLU	-1	-0.850	-0.928	24.510	43.953	43.953	0.000	0.000	0.000	0.000
436	A	441	GLY	0	0.045	0.024	20.254	0.192	0.192	0.000	0.000	0.000	0.000
437	A	442	GLY	0	-0.005	-0.017	20.160	1.170	1.170	0.000	0.000	0.000	0.000
438	A	443	ASP	-1	-0.865	-0.932	21.161	46.669	46.669	0.000	0.000	0.000	0.000
439	A	444	VAL	0	-0.025	-0.002	20.454	-1.051	-1.051	0.000	0.000	0.000	0.000
440	A	445	ILE	0	0.041	0.022	16.249	-0.489	-0.489	0.000	0.000	0.000	0.000
441	A	446	ARG	1	0.879	0.922	19.507	-52.086	-52.086	0.000	0.000	0.000	0.000
442	A	447	SER	0	-0.073	-0.039	22.145	-1.863	-1.863	0.000	0.000	0.000	0.000
443	A	448	ALA	0	0.050	0.030	19.758	-1.217	-1.217	0.000	0.000	0.000	0.000
444	A	449	CYS	0	-0.126	-0.068	14.123	2.563	2.563	0.000	0.000	0.000	0.000
445	A	450	LYS	1	0.880	0.940	20.710	-45.034	-45.034	0.000	0.000	0.000	0.000
446	A	451	TRP	0	-0.014	0.016	21.835	-0.927	-0.927	0.000	0.000	0.000	0.000
447	A	452	SER	0	0.038	0.040	19.708	0.140	0.140	0.000	0.000	0.000	0.000
448	A	453	PRO	0	0.005	0.003	20.701	1.350	1.350	0.000	0.000	0.000	0.000
449	A	454	GLU	-1	-0.834	-0.950	16.915	54.744	54.744	0.000	0.000	0.000	0.000
450	A	455	LEU	0	0.040	0.018	15.098	3.820	3.820	0.000	0.000	0.000	0.000
451	A	456	ALA	0	0.009	0.001	16.682	2.410	2.410	0.000	0.000	0.000	0.000
452	A	457	ALA	0	-0.055	-0.026	16.899	0.564	0.564	0.000	0.000	0.000	0.000
453	A	458	ALA	0	0.023	0.011	12.540	1.960	1.960	0.000	0.000	0.000	0.000
454	A	460	GLU	-1	-0.951	-0.979	16.326	57.614	57.614	0.000	0.000	0.000	0.000
455	A	461	VAL	0	-0.013	0.015	12.358	0.161	0.161	0.000	0.000	0.000	0.000
456	A	462	TRP	0	-0.017	-0.029	8.473	2.141	2.141	0.000	0.000	0.000	0.000
457	A	463	LYS	1	0.929	0.984	13.113	-52.681	-52.681	0.000	0.000	0.000	0.000
458	A	464	GLU	-1	-0.919	-0.975	16.014	58.922	58.922	0.000	0.000	0.000	0.000
459	A	465	ILE	0	-0.068	-0.013	9.645	0.599	0.599	0.000	0.000	0.000	0.000
460	A	466	LYS	1	0.954	0.975	12.052	-66.134	-66.134	0.000	0.000	0.000	0.000
461	A	467	PHE	0	-0.002	0.002	7.194	1.819	1.819	0.000	0.000	0.000	0.000
462	A	468	GLU	-1	-0.956	-0.973	11.742	72.085	72.085	0.000	0.000	0.000	0.000
463	A	469	PHE	0	0.023	-0.003	12.259	-2.038	-2.038	0.000	0.000	0.000	0.000
464	A	470	ASP	-1	-0.832	-0.901	14.738	61.798	61.798	0.000	0.000	0.000	0.000
465	A	471	THR	0	-0.037	-0.011	12.069	3.219	3.219	0.000	0.000	0.000	0.000
466	A	472	ILE	0	-0.033	-0.025	12.701	-5.176	-5.176	0.000	0.000	0.000	0.000
467	A	473	ASP	-1	-0.823	-0.889	11.248	74.684	74.684	0.000	0.000	0.000	0.000
468	A	474	LYS	1	0.842	0.928	13.291	-59.398	-59.398	0.000	0.000	0.000	0.000
469	A	475	LEU	0	0.025	0.021	16.146	-3.801	-3.801	0.000	0.000	0.000	0.000
470	I	1	MME	1	0.816	0.907	18.157	-50.496	-50.496	0.000	0.000	0.000	0.000
471	I	2	MET	0	0.023	0.031	20.941	-1.981	-1.981	0.000	0.000	0.000	0.000
472	I	3	VAL	0	0.024	0.008	20.607	2.340	2.340	0.000	0.000	0.000	0.000
473	I	4	TRP	0	0.073	0.050	19.417	-1.450	-1.450	0.000	0.000	0.000	0.000
474	I	5	THR	0	0.039	0.020	21.503	0.091	0.091	0.000	0.000	0.000	0.000
475	I	6	PRO	0	0.029	0.025	23.593	0.720	0.720	0.000	0.000	0.000	0.000
476	I	7	VAL	0	-0.036	-0.025	24.643	-0.884	-0.884	0.000	0.000	0.000	0.000
477	I	8	ASN	0	-0.059	-0.033	28.251	0.270	0.270	0.000	0.000	0.000	0.000
478	I	9	ASN	0	0.012	-0.004	23.301	-1.280	-1.280	0.000	0.000	0.000	0.000
479	I	10	LYS	1	0.834	0.922	24.495	-41.274	-41.274	0.000	0.000	0.000	0.000
480	I	11	MET	0	-0.048	-0.010	21.348	-1.051	-1.051	0.000	0.000	0.000	0.000
481	I	12	PHE	0	-0.044	-0.041	24.441	-0.865	-0.865	0.000	0.000	0.000	0.000
482	I	13	GLU	-1	-0.766	-0.865	20.442	57.223	57.223	0.000	0.000	0.000	0.000
483	I	14	THR	0	-0.045	-0.033	21.332	1.363	1.363	0.000	0.000	0.000	0.000
484	I	15	PHE	0	-0.014	-0.013	21.638	-2.116	-2.116	0.000	0.000	0.000	0.000
485	I	16	SER	0	-0.102	-0.043	22.259	-1.047	-1.047	0.000	0.000	0.000	0.000
486	I	17	TYR	0	0.011	-0.005	18.575	0.042	0.042	0.000	0.000	0.000	0.000
487	I	18	LEU	0	-0.059	-0.023	21.070	0.700	0.700	0.000	0.000	0.000	0.000
488	I	19	PRO	0	-0.033	-0.024	23.756	-1.101	-1.101	0.000	0.000	0.000	0.000
489	I	20	PRO	0	-0.015	-0.016	27.323	0.265	0.265	0.000	0.000	0.000	0.000
490	I	21	LEU	0	-0.001	0.019	27.293	-0.511	-0.511	0.000	0.000	0.000	0.000
491	I	22	THR	0	-0.009	-0.004	30.711	-1.411	-1.411	0.000	0.000	0.000	0.000
492	I	23	ASP	-1	-0.867	-0.946	33.938	32.403	32.403	0.000	0.000	0.000	0.000
493	I	24	GLU	-1	-0.991	-0.993	34.702	34.552	34.552	0.000	0.000	0.000	0.000
494	I	25	GLN	0	0.065	0.034	29.090	-0.181	-0.181	0.000	0.000	0.000	0.000
495	I	26	ILE	0	0.009	0.000	31.542	0.970	0.970	0.000	0.000	0.000	0.000
496	I	27	ALA	0	-0.019	-0.019	33.209	0.240	0.240	0.000	0.000	0.000	0.000
497	I	28	ALA	0	0.063	0.041	31.568	-0.045	-0.045	0.000	0.000	0.000	0.000
498	I	29	GLN	0	0.042	0.022	26.912	1.434	1.434	0.000	0.000	0.000	0.000
499	I	30	VAL	0	-0.059	-0.029	31.004	0.152	0.152	0.000	0.000	0.000	0.000
500	I	31	ASP	-1	-0.887	-0.949	34.236	34.217	34.217	0.000	0.000	0.000	0.000
501	I	32	TYR	0	-0.016	0.007	24.516	-0.003	-0.003	0.000	0.000	0.000	0.000
502	I	33	ILE	0	-0.023	-0.019	30.891	0.391	0.391	0.000	0.000	0.000	0.000
503	I	34	VAL	0	-0.032	-0.015	31.938	-0.316	-0.316	0.000	0.000	0.000	0.000
504	I	35	ALA	0	-0.060	-0.028	32.025	-0.537	-0.537	0.000	0.000	0.000	0.000
505	I	36	ASN	0	-0.069	-0.037	28.187	0.473	0.473	0.000	0.000	0.000	0.000
506	I	37	GLY	0	-0.045	-0.003	30.903	0.175	0.175	0.000	0.000	0.000	0.000
507	I	38	TRP	0	-0.017	-0.001	25.778	-0.314	-0.314	0.000	0.000	0.000	0.000
508	I	39	ILE	0	-0.034	-0.025	32.006	-1.338	-1.338	0.000	0.000	0.000	0.000
509	I	40	PRO	0	0.028	0.021	33.456	0.847	0.847	0.000	0.000	0.000	0.000
510	I	41	CYS	0	-0.030	-0.012	34.471	-1.356	-1.356	0.000	0.000	0.000	0.000
511	I	42	LEU	0	0.010	0.031	34.843	0.769	0.769	0.000	0.000	0.000	0.000
512	I	43	GLU	-1	-0.848	-0.918	32.396	37.910	37.910	0.000	0.000	0.000	0.000
513	I	44	PHE	0	-0.020	-0.024	35.506	0.313	0.313	0.000	0.000	0.000	0.000
514	I	45	ALA	0	0.030	0.012	34.939	-0.142	-0.142	0.000	0.000	0.000	0.000
515	I	46	GLU	-1	-0.897	-0.940	37.012	29.972	29.972	0.000	0.000	0.000	0.000
516	I	47	ALA	0	0.045	-0.001	36.013	0.869	0.869	0.000	0.000	0.000	0.000
517	I	48	ASP	-1	-0.909	-0.952	35.372	32.139	32.139	0.000	0.000	0.000	0.000
518	I	49	LYS	1	0.870	0.935	35.454	-32.145	-32.145	0.000	0.000	0.000	0.000
519	I	50	ALA	0	-0.017	0.003	32.563	0.658	0.658	0.000	0.000	0.000	0.000
520	I	51	TYR	0	-0.025	-0.033	28.878	1.835	1.835	0.000	0.000	0.000	0.000
521	I	52	VAL	0	0.002	0.015	25.032	-0.868	-0.868	0.000	0.000	0.000	0.000
522	I	53	SER	0	-0.053	-0.048	28.366	0.082	0.082	0.000	0.000	0.000	0.000
523	I	54	ASN	0	0.024	-0.007	27.014	1.569	1.569	0.000	0.000	0.000	0.000
524	I	55	GLU	-1	-0.842	-0.896	30.242	35.332	35.332	0.000	0.000	0.000	0.000
525	I	56	SER	0	-0.042	-0.058	33.508	-1.222	-1.222	0.000	0.000	0.000	0.000
526	I	57	ALA	0	0.005	0.001	30.469	-0.499	-0.499	0.000	0.000	0.000	0.000
527	I	58	ILE	0	-0.044	-0.012	32.548	-0.290	-0.290	0.000	0.000	0.000	0.000
528	I	59	ARG	1	0.886	0.937	35.594	-31.131	-31.131	0.000	0.000	0.000	0.000
529	I	60	PHE	0	-0.057	-0.009	30.059	-0.375	-0.375	0.000	0.000	0.000	0.000
530	I	61	GLY	0	0.050	0.039	33.093	-0.454	-0.454	0.000	0.000	0.000	0.000
531	I	62	SER	0	0.009	-0.009	28.007	0.135	0.135	0.000	0.000	0.000	0.000
532	I	63	VAL	0	-0.023	-0.035	27.507	1.189	1.189	0.000	0.000	0.000	0.000
533	I	64	SER	0	0.044	0.030	25.725	-0.166	-0.166	0.000	0.000	0.000	0.000
534	I	65	CYS	0	-0.045	0.003	21.401	0.204	0.204	0.000	0.000	0.000	0.000
535	I	66	LEU	0	-0.010	0.003	19.008	-0.672	-0.672	0.000	0.000	0.000	0.000
536	I	67	TYR	0	-0.111	-0.053	23.232	-1.009	-1.009	0.000	0.000	0.000	0.000
537	I	68	TYR	0	0.036	-0.009	21.549	1.176	1.176	0.000	0.000	0.000	0.000
538	I	69	ASP	-1	-0.786	-0.848	27.930	36.199	36.199	0.000	0.000	0.000	0.000
539	I	70	ASN	0	0.012	-0.008	30.000	0.248	0.248	0.000	0.000	0.000	0.000
540	I	71	ARG	1	0.867	0.943	25.124	-44.512	-44.512	0.000	0.000	0.000	0.000
541	I	72	TYR	0	-0.008	-0.003	29.495	0.075	0.075	0.000	0.000	0.000	0.000
542	I	73	TRP	0	-0.022	-0.002	30.960	-0.390	-0.390	0.000	0.000	0.000	0.000
543	I	74	THR	0	-0.027	-0.011	34.889	-0.474	-0.474	0.000	0.000	0.000	0.000
544	I	75	MET	0	0.023	0.023	36.906	0.117	0.117	0.000	0.000	0.000	0.000
545	I	76	TRP	0	-0.021	-0.019	39.015	-1.198	-1.198	0.000	0.000	0.000	0.000
546	I	77	LYS	1	0.786	0.895	41.049	-27.511	-27.511	0.000	0.000	0.000	0.000
547	I	78	LEU	0	0.018	-0.005	40.775	0.047	0.047	0.000	0.000	0.000	0.000
548	I	79	PRO	0	0.030	0.003	36.263	-0.029	-0.029	0.000	0.000	0.000	0.000
549	I	80	MET	0	-0.024	-0.003	38.030	-0.754	-0.754	0.000	0.000	0.000	0.000
550	I	81	PHE	0	0.023	-0.007	36.421	0.373	0.373	0.000	0.000	0.000	0.000
551	I	82	GLY	0	-0.011	-0.001	38.803	-0.777	-0.777	0.000	0.000	0.000	0.000
552	I	83	CYS	0	-0.089	-0.017	39.053	-0.396	-0.396	0.000	0.000	0.000	0.000
553	I	84	ARG	1	0.985	0.978	38.496	-29.090	-29.090	0.000	0.000	0.000	0.000
554	I	85	ASP	-1	-0.865	-0.946	40.034	28.607	28.607	0.000	0.000	0.000	0.000
555	I	86	PRO	0	0.130	0.061	38.384	-0.092	-0.092	0.000	0.000	0.000	0.000
556	I	87	MET	0	0.017	0.001	39.977	0.075	0.075	0.000	0.000	0.000	0.000
557	I	88	GLN	0	-0.074	-0.044	42.769	0.001	0.001	0.000	0.000	0.000	0.000
558	I	89	VAL	0	0.069	0.037	36.716	-0.236	-0.236	0.000	0.000	0.000	0.000
559	I	90	LEU	0	0.035	0.015	37.577	-0.058	-0.058	0.000	0.000	0.000	0.000
560	I	91	ARG	1	0.921	0.953	40.622	-27.638	-27.638	0.000	0.000	0.000	0.000
561	I	92	GLU	-1	-0.800	-0.891	41.280	27.853	27.853	0.000	0.000	0.000	0.000
562	I	93	ILE	0	0.040	0.029	36.406	-0.053	-0.053	0.000	0.000	0.000	0.000
563	I	94	VAL	0	-0.004	0.018	40.098	-0.269	-0.269	0.000	0.000	0.000	0.000
564	I	95	ALA	0	-0.057	-0.030	43.159	-0.447	-0.447	0.000	0.000	0.000	0.000
565	I	96	CYS	0	-0.034	-0.011	40.264	-0.137	-0.137	0.000	0.000	0.000	0.000
566	I	97	THR	0	0.031	-0.008	39.159	-0.397	-0.397	0.000	0.000	0.000	0.000
567	I	98	LYS	1	0.914	0.963	41.863	-25.382	-25.382	0.000	0.000	0.000	0.000
568	I	99	ALA	0	-0.081	-0.036	45.108	-0.530	-0.530	0.000	0.000	0.000	0.000
569	I	100	PHE	0	-0.026	-0.017	41.904	-0.399	-0.399	0.000	0.000	0.000	0.000
570	I	101	PRO	0	0.038	0.026	41.588	0.809	0.809	0.000	0.000	0.000	0.000
571	I	102	ASP	-1	-0.917	-0.955	41.303	28.419	28.419	0.000	0.000	0.000	0.000
572	I	103	ALA	0	-0.062	-0.024	38.762	0.513	0.513	0.000	0.000	0.000	0.000
573	I	104	TYR	0	0.020	0.024	32.147	0.009	0.009	0.000	0.000	0.000	0.000
574	I	105	VAL	0	0.014	0.002	34.823	-0.431	-0.431	0.000	0.000	0.000	0.000
575	I	106	ARG	1	0.843	0.925	29.390	-39.695	-39.695	0.000	0.000	0.000	0.000
576	I	107	LEU	0	-0.016	0.003	31.921	-1.239	-1.239	0.000	0.000	0.000	0.000
577	I	108	VAL	0	0.034	0.017	29.752	1.464	1.464	0.000	0.000	0.000	0.000
578	I	109	ALA	0	0.018	-0.008	29.650	-1.475	-1.475	0.000	0.000	0.000	0.000
579	I	110	PHE	0	-0.012	-0.004	28.929	1.524	1.524	0.000	0.000	0.000	0.000
580	I	111	ASP	-1	-0.766	-0.877	26.841	42.738	42.738	0.000	0.000	0.000	0.000
581	I	112	ASN	0	-0.025	-0.039	28.792	0.876	0.876	0.000	0.000	0.000	0.000
582	I	113	GLN	0	-0.028	-0.007	28.174	-0.473	-0.473	0.000	0.000	0.000	0.000
583	I	114	LYS	1	0.910	0.955	20.492	-54.118	-54.118	0.000	0.000	0.000	0.000
584	I	115	GLN	0	-0.077	-0.029	25.783	-0.346	-0.346	0.000	0.000	0.000	0.000
585	I	116	VAL	0	0.033	0.016	23.053	0.760	0.760	0.000	0.000	0.000	0.000
586	I	117	GLN	0	-0.001	0.003	26.302	-0.434	-0.434	0.000	0.000	0.000	0.000
587	I	118	ILE	0	-0.019	-0.014	23.584	2.138	2.138	0.000	0.000	0.000	0.000
588	I	119	MET	0	-0.026	-0.011	24.408	1.294	1.294	0.000	0.000	0.000	0.000
589	I	120	GLY	0	0.077	0.022	26.201	-1.382	-1.382	0.000	0.000	0.000	0.000
590	I	121	PHE	0	-0.021	0.001	25.979	1.539	1.539	0.000	0.000	0.000	0.000
591	I	122	LEU	0	-0.023	-0.017	27.896	-1.553	-1.553	0.000	0.000	0.000	0.000
592	I	123	VAL	0	-0.009	-0.011	30.273	0.124	0.124	0.000	0.000	0.000	0.000
593	I	124	GLN	0	-0.039	-0.032	33.503	-1.279	-1.279	0.000	0.000	0.000	0.000
594	I	125	ARG	1	0.932	0.959	28.868	-37.942	-37.942	0.000	0.000	0.000	0.000
595	I	126	PRO	0	-0.001	0.025	34.891	-0.115	-0.115	0.000	0.000	0.000	0.000
597	A	7	THR	0	-0.020	-0.014	32.883	-0.182	-0.182	0.000	0.000	0.000	0.000
598	A	8	LYS	1	0.974	0.981	29.172	-37.089	-37.089	0.000	0.000	0.000	0.000
599	A	9	ALA	0	0.027	0.021	25.557	0.187	0.187	0.000	0.000	0.000	0.000
600	A	10	GLY	0	0.012	0.004	25.222	-0.407	-0.407	0.000	0.000	0.000	0.000
601	A	11	ALA	0	-0.011	-0.009	20.213	0.540	0.540	0.000	0.000	0.000	0.000
602	A	12	GLY	0	0.040	0.016	19.490	-0.371	-0.371	0.000	0.000	0.000	0.000
603	A	13	PHE	0	-0.046	-0.006	11.379	0.553	0.553	0.000	0.000	0.000	0.000
604	A	14	LYS	1	0.911	0.952	15.232	-68.184	-68.184	0.000	0.000	0.000	0.000
605	A	15	ALA	0	0.037	0.030	12.258	2.833	2.833	0.000	0.000	0.000	0.000
606	A	16	GLY	0	0.044	0.006	11.164	-5.465	-5.465	0.000	0.000	0.000	0.000
607	A	17	VAL	0	0.008	0.009	9.226	2.536	2.536	0.000	0.000	0.000	0.000
608	A	18	LYS	1	0.877	0.950	11.436	-79.761	-79.761	0.000	0.000	0.000	0.000
609	A	19	ASP	-1	-0.872	-0.931	12.369	72.277	72.277	0.000	0.000	0.000	0.000
610	A	20	TYR	0	-0.042	-0.048	6.723	-4.433	-4.433	0.000	0.000	0.000	0.000
611	A	21	ARG	1	0.941	0.955	13.340	-59.911	-59.911	0.000	0.000	0.000	0.000
612	A	22	LEU	0	-0.060	-0.028	16.156	-3.301	-3.301	0.000	0.000	0.000	0.000
613	A	23	THR	0	-0.057	-0.023	13.906	-3.672	-3.672	0.000	0.000	0.000	0.000
614	A	24	TYR	0	0.022	0.004	11.103	0.733	0.733	0.000	0.000	0.000	0.000
615	A	25	TYR	0	0.015	0.023	16.153	-0.397	-0.397	0.000	0.000	0.000	0.000
616	A	26	THR	0	-0.082	-0.061	19.387	-0.921	-0.921	0.000	0.000	0.000	0.000
617	A	27	PRO	0	0.036	0.026	22.145	-0.366	-0.366	0.000	0.000	0.000	0.000
618	A	28	ASP	-1	-0.891	-0.928	25.356	41.342	41.342	0.000	0.000	0.000	0.000
619	A	29	TYR	0	-0.177	-0.113	23.580	-0.730	-0.730	0.000	0.000	0.000	0.000
620	A	30	VAL	0	0.010	0.007	25.985	-0.422	-0.422	0.000	0.000	0.000	0.000
621	A	31	VAL	0	-0.014	-0.007	24.955	0.680	0.680	0.000	0.000	0.000	0.000
622	A	32	ARG	1	0.948	0.974	24.400	-48.571	-48.571	0.000	0.000	0.000	0.000
623	A	33	ASP	-1	-0.870	-0.937	26.758	40.173	40.173	0.000	0.000	0.000	0.000
624	A	34	THR	0	-0.044	-0.039	24.961	-0.484	-0.484	0.000	0.000	0.000	0.000
625	A	35	ASP	-1	-0.820	-0.886	22.509	52.532	52.532	0.000	0.000	0.000	0.000
626	A	36	ILE	0	0.011	0.009	18.544	-2.049	-2.049	0.000	0.000	0.000	0.000
627	A	37	LEU	0	-0.040	-0.006	20.218	1.882	1.882	0.000	0.000	0.000	0.000
628	A	38	ALA	0	0.022	0.021	17.395	-0.333	-0.333	0.000	0.000	0.000	0.000
629	A	39	ALA	0	0.012	0.015	19.281	-0.489	-0.489	0.000	0.000	0.000	0.000
630	A	40	PHE	0	0.008	-0.011	13.554	0.483	0.483	0.000	0.000	0.000	0.000
631	A	41	ARG	1	0.828	0.915	18.560	-51.287	-51.287	0.000	0.000	0.000	0.000
632	A	42	MET	0	-0.006	-0.004	16.679	3.889	3.889	0.000	0.000	0.000	0.000
633	A	43	THR	0	0.010	0.008	17.465	-4.508	-4.508	0.000	0.000	0.000	0.000
634	A	44	PRO	0	0.026	0.010	17.066	4.312	4.312	0.000	0.000	0.000	0.000
635	A	45	GLN	0	-0.013	0.002	13.701	-8.048	-8.048	0.000	0.000	0.000	0.000
636	A	46	PRO	0	0.030	0.008	17.902	-1.374	-1.374	0.000	0.000	0.000	0.000
637	A	47	GLY	0	-0.005	-0.003	20.284	1.627	1.627	0.000	0.000	0.000	0.000
638	A	48	VAL	0	-0.040	-0.011	16.052	1.078	1.078	0.000	0.000	0.000	0.000
639	A	49	PRO	0	-0.011	-0.002	18.679	-1.281	-1.281	0.000	0.000	0.000	0.000
640	A	50	PRO	0	0.094	0.039	19.244	3.647	3.647	0.000	0.000	0.000	0.000
641	A	51	GLU	-1	-0.898	-0.957	19.582	54.992	54.992	0.000	0.000	0.000	0.000
642	A	52	GLU	-1	-0.759	-0.881	13.955	79.302	79.302	0.000	0.000	0.000	0.000
643	A	53	CYS	0	-0.022	-0.002	15.124	5.809	5.809	0.000	0.000	0.000	0.000
644	A	54	GLY	0	0.047	0.009	14.752	4.290	4.290	0.000	0.000	0.000	0.000
645	A	55	ALA	0	-0.035	-0.006	15.501	2.112	2.112	0.000	0.000	0.000	0.000
646	A	56	ALA	0	0.024	0.007	11.070	4.034	4.034	0.000	0.000	0.000	0.000
647	A	57	VAL	0	0.008	0.014	10.777	8.099	8.099	0.000	0.000	0.000	0.000
648	A	58	ALA	0	0.019	0.021	11.697	3.238	3.238	0.000	0.000	0.000	0.000
649	A	59	ALA	0	-0.016	0.009	10.061	1.445	1.445	0.000	0.000	0.000	0.000
650	A	60	GLU	-1	-0.756	-0.876	5.464	183.723	183.723	0.000	0.000	0.000	0.000
651	A	61	SER	0	-0.038	0.000	7.427	4.937	4.937	0.000	0.000	0.000	0.000
652	A	62	SER	0	-0.030	-0.044	9.920	-6.990	-6.990	0.000	0.000	0.000	0.000
653	A	63	THR	0	-0.024	-0.018	9.823	-0.744	-0.744	0.000	0.000	0.000	0.000
654	A	64	GLY	0	-0.007	0.005	8.019	1.332	1.332	0.000	0.000	0.000	0.000
657	A	67	THR	0	0.003	0.003	5.254	-22.369	-22.369	0.000	0.000	0.000	0.000
658	A	68	THR	0	-0.055	-0.022	6.724	4.935	4.935	0.000	0.000	0.000	0.000
659	A	69	VAL	0	0.033	0.009	5.747	1.163	1.163	0.000	0.000	0.000	0.000
660	A	70	TRP	0	-0.034	-0.027	8.848	-8.682	-8.682	0.000	0.000	0.000	0.000
661	A	71	THR	0	-0.050	-0.048	9.508	-5.877	-5.877	0.000	0.000	0.000	0.000
662	A	72	ASP	-1	-0.845	-0.935	10.583	86.448	86.448	0.000	0.000	0.000	0.000
663	A	73	GLY	0	-0.052	-0.021	12.918	-3.892	-3.892	0.000	0.000	0.000	0.000
664	A	74	LEU	0	-0.098	-0.045	15.076	-3.879	-3.879	0.000	0.000	0.000	0.000
665	A	75	THR	0	-0.041	-0.024	14.360	-3.518	-3.518	0.000	0.000	0.000	0.000
666	A	76	SER	0	-0.013	-0.002	17.325	-1.269	-1.269	0.000	0.000	0.000	0.000
667	A	77	LEU	0	0.078	0.020	12.005	-0.644	-0.644	0.000	0.000	0.000	0.000
668	A	78	ASP	-1	-0.943	-0.962	16.061	54.781	54.781	0.000	0.000	0.000	0.000
669	A	79	ARG	1	0.869	0.947	19.406	-52.560	-52.560	0.000	0.000	0.000	0.000
670	A	80	TYR	0	-0.009	-0.014	15.000	-1.047	-1.047	0.000	0.000	0.000	0.000
671	A	81	LYS	1	0.847	0.932	14.521	-59.958	-59.958	0.000	0.000	0.000	0.000
672	A	82	GLY	0	0.065	0.028	14.379	-3.880	-3.880	0.000	0.000	0.000	0.000
673	A	83	ARG	1	0.845	0.922	15.950	-54.399	-54.399	0.000	0.000	0.000	0.000
674	A	84	CYS	0	-0.012	0.006	17.809	-1.755	-1.755	0.000	0.000	0.000	0.000
675	A	85	TYR	0	-0.007	-0.024	19.480	-0.505	-0.505	0.000	0.000	0.000	0.000
676	A	86	ASP	-1	-0.840	-0.922	22.846	43.196	43.196	0.000	0.000	0.000	0.000
677	A	87	ILE	0	-0.056	-0.030	20.907	3.005	3.005	0.000	0.000	0.000	0.000
678	A	88	GLU	-1	-0.824	-0.885	24.308	41.917	41.917	0.000	0.000	0.000	0.000
679	A	89	PRO	0	0.022	-0.001	25.806	1.793	1.793	0.000	0.000	0.000	0.000
680	A	90	VAL	0	-0.019	0.004	25.039	-0.641	-0.641	0.000	0.000	0.000	0.000
681	A	91	PRO	0	0.004	0.007	28.163	-0.385	-0.385	0.000	0.000	0.000	0.000
682	A	92	GLY	0	-0.020	-0.021	30.755	0.145	0.145	0.000	0.000	0.000	0.000
683	A	93	GLU	-1	-0.920	-0.959	26.184	44.679	44.679	0.000	0.000	0.000	0.000
684	A	94	ASP	-1	-0.889	-0.936	28.084	40.193	40.193	0.000	0.000	0.000	0.000
685	A	95	ASN	0	-0.098	-0.063	20.855	0.608	0.608	0.000	0.000	0.000	0.000
686	A	96	GLN	0	0.047	0.024	21.985	1.913	1.913	0.000	0.000	0.000	0.000
687	A	97	TYR	0	0.018	0.001	21.881	-2.339	-2.339	0.000	0.000	0.000	0.000
688	A	98	ILE	0	-0.039	-0.013	21.846	2.237	2.237	0.000	0.000	0.000	0.000
689	A	99	ALA	0	0.002	0.005	18.675	-1.160	-1.160	0.000	0.000	0.000	0.000
690	A	100	TYR	0	-0.038	-0.034	19.911	1.571	1.571	0.000	0.000	0.000	0.000
691	A	101	VAL	0	0.000	-0.006	15.727	0.752	0.752	0.000	0.000	0.000	0.000
692	A	102	ALA	0	-0.021	-0.002	19.011	-1.443	-1.443	0.000	0.000	0.000	0.000
693	A	103	TYR	0	-0.016	-0.058	13.269	1.083	1.083	0.000	0.000	0.000	0.000
694	A	104	HYP	0	0.009	0.033	17.097	-3.298	-3.298	0.000	0.000	0.000	0.000
695	A	105	ILE	0	0.044	0.006	18.514	2.332	2.332	0.000	0.000	0.000	0.000
696	A	106	ASP	-1	-0.900	-0.961	18.630	53.947	53.947	0.000	0.000	0.000	0.000
697	A	107	LEU	0	-0.092	-0.054	13.599	1.925	1.925	0.000	0.000	0.000	0.000
698	A	108	PHE	0	-0.020	0.005	14.552	4.367	4.367	0.000	0.000	0.000	0.000
699	A	109	GLU	-1	-0.795	-0.890	16.162	58.842	58.842	0.000	0.000	0.000	0.000
700	A	110	GLU	-1	-0.785	-0.874	17.831	51.959	51.959	0.000	0.000	0.000	0.000
701	A	111	GLY	0	0.048	0.031	21.194	0.306	0.306	0.000	0.000	0.000	0.000
702	A	112	SER	0	-0.022	-0.007	16.304	0.029	0.029	0.000	0.000	0.000	0.000
703	A	113	VAL	0	0.031	0.016	17.481	2.337	2.337	0.000	0.000	0.000	0.000
704	A	114	THR	0	0.000	0.004	13.546	2.063	2.063	0.000	0.000	0.000	0.000
705	A	115	ASN	0	0.004	0.004	12.234	2.134	2.134	0.000	0.000	0.000	0.000
706	A	116	MET	0	-0.016	0.007	12.810	3.669	3.669	0.000	0.000	0.000	0.000
707	A	117	PHE	0	0.010	-0.022	12.649	2.144	2.144	0.000	0.000	0.000	0.000
708	A	118	THR	0	-0.013	0.023	7.970	3.562	3.562	0.000	0.000	0.000	0.000
709	A	119	SER	0	0.024	0.010	8.235	12.112	12.112	0.000	0.000	0.000	0.000
710	A	120	ILE	0	-0.058	-0.010	9.616	5.063	5.063	0.000	0.000	0.000	0.000
711	A	121	VAL	0	-0.012	-0.028	10.438	0.103	0.103	0.000	0.000	0.000	0.000
712	A	122	GLY	0	0.012	0.029	6.649	2.779	2.779	0.000	0.000	0.000	0.000
715	A	125	PHE	0	0.013	0.007	8.278	-3.460	-3.460	0.000	0.000	0.000	0.000
716	A	126	GLY	0	0.040	0.013	5.945	-6.812	-6.812	0.000	0.000	0.000	0.000
717	A	127	PHE	0	-0.027	0.000	5.464	3.915	3.915	0.000	0.000	0.000	0.000
718	A	128	LYS	1	0.825	0.910	8.290	-121.162	-121.162	0.000	0.000	0.000	0.000
719	A	129	ALA	0	-0.014	0.002	10.244	-7.545	-7.545	0.000	0.000	0.000	0.000
720	A	130	LEU	0	-0.030	-0.012	11.537	-6.733	-6.733	0.000	0.000	0.000	0.000
721	A	131	ARG	1	0.820	0.891	12.811	-58.990	-58.990	0.000	0.000	0.000	0.000
722	A	132	ALA	0	0.001	-0.003	14.642	-0.240	-0.240	0.000	0.000	0.000	0.000
723	A	133	LEU	0	-0.028	-0.010	12.234	-0.391	-0.391	0.000	0.000	0.000	0.000
724	A	134	ARG	1	0.847	0.912	15.375	-51.054	-51.054	0.000	0.000	0.000	0.000
725	A	135	LEU	0	-0.030	0.005	15.324	-1.366	-1.366	0.000	0.000	0.000	0.000
726	A	136	GLU	-1	-0.770	-0.873	17.531	48.701	48.701	0.000	0.000	0.000	0.000
727	A	137	ASP	-1	-0.794	-0.916	20.789	44.512	44.512	0.000	0.000	0.000	0.000
728	A	138	LEU	0	0.018	0.000	17.236	2.823	2.823	0.000	0.000	0.000	0.000
729	A	139	ARG	1	0.857	0.955	21.340	-47.815	-47.815	0.000	0.000	0.000	0.000
730	A	140	ILE	0	0.022	-0.009	21.077	1.881	1.881	0.000	0.000	0.000	0.000
731	A	141	PRO	0	-0.004	0.022	23.358	-2.091	-2.091	0.000	0.000	0.000	0.000
732	A	142	PRO	0	0.137	0.051	26.485	0.902	0.902	0.000	0.000	0.000	0.000
733	A	143	ALA	0	-0.026	-0.016	26.945	-0.090	-0.090	0.000	0.000	0.000	0.000
734	A	144	TYR	0	0.001	-0.016	18.817	0.525	0.525	0.000	0.000	0.000	0.000
735	A	145	VAL	0	0.029	0.020	24.692	0.500	0.500	0.000	0.000	0.000	0.000
736	A	146	LYS	1	0.924	0.950	26.731	-36.601	-36.601	0.000	0.000	0.000	0.000
737	A	147	THR	0	-0.085	-0.035	23.809	-0.005	-0.005	0.000	0.000	0.000	0.000
738	A	148	PHE	0	-0.004	-0.010	20.711	0.947	0.947	0.000	0.000	0.000	0.000
739	A	149	VAL	0	-0.020	0.000	26.247	-1.287	-1.287	0.000	0.000	0.000	0.000
740	A	150	GLY	0	0.021	0.001	27.500	-1.308	-1.308	0.000	0.000	0.000	0.000
741	A	151	HYP	0	-0.016	0.001	28.595	-0.006	-0.006	0.000	0.000	0.000	0.000
742	A	152	PRO	0	-0.062	-0.020	30.355	-0.793	-0.793	0.000	0.000	0.000	0.000
743	A	153	HIS	0	-0.065	-0.037	33.226	-1.536	-1.536	0.000	0.000	0.000	0.000
744	A	154	GLY	0	0.034	0.007	35.075	-0.193	-0.193	0.000	0.000	0.000	0.000
745	A	155	ILE	0	-0.023	-0.013	35.852	-0.899	-0.899	0.000	0.000	0.000	0.000
746	A	156	GLN	0	-0.039	-0.016	38.439	-0.156	-0.156	0.000	0.000	0.000	0.000
747	A	157	VAL	0	0.055	0.030	39.254	-0.634	-0.634	0.000	0.000	0.000	0.000
748	A	158	GLU	-1	-0.804	-0.887	37.827	30.879	30.879	0.000	0.000	0.000	0.000
749	A	159	ARG	1	0.804	0.884	40.723	-28.253	-28.253	0.000	0.000	0.000	0.000
750	A	160	ASP	-1	-0.791	-0.881	43.834	25.963	25.963	0.000	0.000	0.000	0.000
751	A	161	LYS	1	0.816	0.928	40.364	-29.590	-29.590	0.000	0.000	0.000	0.000
752	A	162	LEU	0	-0.036	-0.022	41.491	-0.561	-0.561	0.000	0.000	0.000	0.000
753	A	163	ASN	0	-0.023	-0.006	45.682	-0.457	-0.457	0.000	0.000	0.000	0.000
754	A	164	LYS	1	0.757	0.879	45.049	-26.102	-26.102	0.000	0.000	0.000	0.000
755	A	165	TYR	0	-0.019	-0.042	46.501	0.487	0.487	0.000	0.000	0.000	0.000
756	A	166	GLY	0	0.029	0.027	48.022	-0.442	-0.442	0.000	0.000	0.000	0.000
757	A	167	ARG	1	0.782	0.883	46.414	-25.747	-25.747	0.000	0.000	0.000	0.000
758	A	168	GLY	0	0.047	0.035	43.336	0.402	0.402	0.000	0.000	0.000	0.000
759	A	169	LEU	0	-0.016	-0.009	40.420	-0.564	-0.564	0.000	0.000	0.000	0.000
760	A	170	LEU	0	-0.005	-0.001	42.038	0.393	0.393	0.000	0.000	0.000	0.000
761	A	171	GLY	0	0.052	0.009	39.595	-0.146	-0.146	0.000	0.000	0.000	0.000
762	A	172	CYS	0	-0.069	-0.028	39.426	-0.363	-0.363	0.000	0.000	0.000	0.000
763	A	173	THR	0	0.141	0.055	34.444	-0.171	-0.171	0.000	0.000	0.000	0.000
764	A	174	ILE	0	-0.009	-0.007	37.421	-0.674	-0.674	0.000	0.000	0.000	0.000
765	A	175	LYS	1	0.844	0.905	34.626	-32.161	-32.161	0.000	0.000	0.000	0.000
766	A	176	PRO	0	0.035	0.019	38.096	-0.802	-0.802	0.000	0.000	0.000	0.000
767	A	177	LYS	1	0.774	0.898	30.462	-36.468	-36.468	0.000	0.000	0.000	0.000
768	A	178	LEU	0	-0.025	-0.006	30.483	0.161	0.161	0.000	0.000	0.000	0.000
769	A	179	GLY	0	0.054	0.018	35.113	-0.577	-0.577	0.000	0.000	0.000	0.000
770	A	180	LEU	0	-0.047	-0.002	38.070	-0.983	-0.983	0.000	0.000	0.000	0.000
771	A	181	SER	0	0.052	0.025	39.469	0.451	0.451	0.000	0.000	0.000	0.000
772	A	182	ALA	0	0.089	0.031	41.014	-0.073	-0.073	0.000	0.000	0.000	0.000
773	A	183	LYS	1	0.951	0.987	41.937	-23.775	-23.775	0.000	0.000	0.000	0.000
774	A	184	ASN	0	-0.001	-0.022	44.155	-0.850	-0.850	0.000	0.000	0.000	0.000
775	A	185	TYR	0	0.082	0.044	36.310	-0.200	-0.200	0.000	0.000	0.000	0.000
776	A	186	GLY	0	0.054	0.029	42.420	-0.056	-0.056	0.000	0.000	0.000	0.000
777	A	187	ARG	1	0.913	0.958	44.825	-24.244	-24.244	0.000	0.000	0.000	0.000
778	A	188	ALA	0	-0.013	-0.010	43.616	-0.380	-0.380	0.000	0.000	0.000	0.000
779	A	189	VAL	0	0.057	0.019	41.793	-0.220	-0.220	0.000	0.000	0.000	0.000
780	A	190	TYR	0	-0.060	-0.058	44.577	-0.280	-0.280	0.000	0.000	0.000	0.000
781	A	191	GLU	-1	-0.905	-0.953	48.143	22.692	22.692	0.000	0.000	0.000	0.000
782	A	192	CYS	0	-0.042	-0.023	43.518	-0.303	-0.303	0.000	0.000	0.000	0.000
783	A	193	LEU	0	0.024	0.019	43.637	-0.290	-0.290	0.000	0.000	0.000	0.000
784	A	194	ARG	1	0.734	0.842	47.311	-22.496	-22.496	0.000	0.000	0.000	0.000
785	A	195	GLY	0	-0.023	-0.006	50.138	-0.466	-0.466	0.000	0.000	0.000	0.000
786	A	196	GLY	0	0.034	0.020	49.959	-0.184	-0.184	0.000	0.000	0.000	0.000
787	A	197	LEU	0	-0.064	-0.021	43.755	0.136	0.136	0.000	0.000	0.000	0.000
788	A	198	ASP	-1	-0.754	-0.845	43.484	25.970	25.970	0.000	0.000	0.000	0.000
789	A	199	PHE	0	0.018	-0.006	39.810	0.064	0.064	0.000	0.000	0.000	0.000
790	A	200	THR	0	-0.044	-0.043	40.339	-0.479	-0.479	0.000	0.000	0.000	0.000
791	A	201	KCX	-1	-0.520	-0.797	32.165	36.277	36.277	0.000	0.000	0.000	0.000
792	A	202	ASP	-1	-0.702	-0.839	33.574	32.101	32.101	0.000	0.000	0.000	0.000
793	A	203	ASP	0	0.206	0.057	32.903	0.380	0.380	0.000	0.000	0.000	0.000
794	A	204	GLU	0	0.169	-0.022	27.303	-0.057	-0.057	0.000	0.000	0.000	0.000
795	A	1476	merge:A:AS	-1	-1.780	-1.092	27.111	36.001	36.001	0.000	0.000	0.000	0.000
796	A	205	ASN	0	0.013	-0.005	27.676	-0.018	-0.018	0.000	0.000	0.000	0.000
797	A	206	VAL	0	-0.055	-0.006	28.700	-0.245	-0.245	0.000	0.000	0.000	0.000
798	A	207	ASN	0	-0.013	0.001	26.910	1.579	1.579	0.000	0.000	0.000	0.000
799	A	208	SER	0	0.022	0.004	30.442	-1.897	-1.897	0.000	0.000	0.000	0.000
800	A	209	GLN	0	0.014	-0.003	30.193	0.371	0.371	0.000	0.000	0.000	0.000
801	A	210	PRO	0	-0.002	0.000	32.797	-1.105	-1.105	0.000	0.000	0.000	0.000
802	A	211	PHE	0	-0.041	-0.006	33.474	-1.013	-1.013	0.000	0.000	0.000	0.000
803	A	212	MET	0	-0.081	-0.027	36.280	-1.235	-1.235	0.000	0.000	0.000	0.000
804	A	213	ARG	1	0.840	0.922	32.724	-32.669	-32.669	0.000	0.000	0.000	0.000
805	A	214	TRP	0	0.057	0.014	33.477	-0.934	-0.934	0.000	0.000	0.000	0.000
806	A	215	ARG	1	0.963	0.987	35.844	-29.118	-29.118	0.000	0.000	0.000	0.000
807	A	216	ASP	-1	-0.888	-0.951	38.622	27.751	27.751	0.000	0.000	0.000	0.000
808	A	217	ARG	1	0.787	0.864	33.488	-33.813	-33.813	0.000	0.000	0.000	0.000
809	A	218	PHE	0	-0.008	-0.011	34.045	-0.616	-0.616	0.000	0.000	0.000	0.000
810	A	219	LEU	0	0.014	0.008	39.998	-0.471	-0.471	0.000	0.000	0.000	0.000
811	A	220	PHE	0	0.007	-0.006	43.504	-0.658	-0.658	0.000	0.000	0.000	0.000
812	A	221	VAL	0	0.003	0.003	40.144	-0.522	-0.522	0.000	0.000	0.000	0.000
813	A	222	ALA	0	0.014	0.014	43.228	-0.324	-0.324	0.000	0.000	0.000	0.000
814	A	223	GLU	-1	-0.982	-0.980	44.808	23.213	23.213	0.000	0.000	0.000	0.000
815	A	224	ALA	0	-0.028	-0.022	45.579	-0.534	-0.534	0.000	0.000	0.000	0.000
816	A	225	ILE	0	0.010	0.001	41.992	-0.362	-0.362	0.000	0.000	0.000	0.000
817	A	226	TYR	0	-0.024	-0.024	45.914	-0.478	-0.478	0.000	0.000	0.000	0.000
818	A	227	LYS	1	0.900	0.969	49.607	-22.655	-22.655	0.000	0.000	0.000	0.000
819	A	228	ALA	0	0.039	0.006	48.773	-0.477	-0.477	0.000	0.000	0.000	0.000
820	A	229	GLN	0	0.025	0.027	48.494	0.174	0.174	0.000	0.000	0.000	0.000
821	A	230	ALA	0	-0.013	0.002	51.075	-0.387	-0.387	0.000	0.000	0.000	0.000
822	A	231	GLU	-1	-0.814	-0.874	54.108	21.623	21.623	0.000	0.000	0.000	0.000
823	A	232	THR	0	0.005	-0.017	51.910	-0.291	-0.291	0.000	0.000	0.000	0.000
824	A	233	GLY	0	-0.015	0.009	54.359	-0.264	-0.264	0.000	0.000	0.000	0.000
825	A	234	GLU	-1	-0.760	-0.851	50.211	23.653	23.653	0.000	0.000	0.000	0.000
826	A	235	VAL	0	0.012	-0.003	45.784	0.067	0.067	0.000	0.000	0.000	0.000
827	A	236	LYS	1	0.840	0.933	45.755	-24.612	-24.612	0.000	0.000	0.000	0.000
828	A	237	GLY	0	0.025	-0.001	41.824	0.120	0.120	0.000	0.000	0.000	0.000
829	A	238	HIS	0	-0.022	-0.014	37.524	-0.848	-0.848	0.000	0.000	0.000	0.000
830	A	239	TYR	0	-0.018	-0.026	34.198	-0.118	-0.118	0.000	0.000	0.000	0.000
831	A	240	LEU	0	-0.030	-0.005	35.312	0.282	0.282	0.000	0.000	0.000	0.000
832	A	241	ASN	0	0.010	-0.017	29.000	1.251	1.251	0.000	0.000	0.000	0.000
833	A	242	ALA	0	-0.020	-0.007	29.739	-0.540	-0.540	0.000	0.000	0.000	0.000
834	A	243	THR	0	-0.002	0.008	24.400	1.239	1.239	0.000	0.000	0.000	0.000
835	A	244	ALA	0	-0.003	-0.005	25.152	-1.226	-1.226	0.000	0.000	0.000	0.000
836	A	245	GLY	0	0.045	0.024	22.871	1.738	1.738	0.000	0.000	0.000	0.000
837	A	246	THR	0	0.026	0.021	21.935	1.699	1.699	0.000	0.000	0.000	0.000
838	A	248	GLU	-1	-0.820	-0.887	24.866	43.746	43.746	0.000	0.000	0.000	0.000
839	A	249	GLU	-1	-0.833	-0.908	27.372	35.089	35.089	0.000	0.000	0.000	0.000
840	A	250	MET	0	-0.025	0.012	25.477	-0.941	-0.941	0.000	0.000	0.000	0.000
841	A	251	MET	0	-0.002	-0.002	27.374	-1.704	-1.704	0.000	0.000	0.000	0.000
842	A	252	LYS	1	0.831	0.908	30.560	-36.622	-36.622	0.000	0.000	0.000	0.000
843	A	253	ARG	1	0.733	0.855	29.658	-39.114	-39.114	0.000	0.000	0.000	0.000
844	A	254	ALA	0	0.050	0.024	31.922	-1.012	-1.012	0.000	0.000	0.000	0.000
845	A	255	VAL	0	-0.003	0.001	33.833	-0.937	-0.937	0.000	0.000	0.000	0.000
846	A	256	SMC	0	-0.060	-0.010	36.441	-1.043	-1.043	0.000	0.000	0.000	0.000
847	A	257	ALA	0	0.051	0.013	36.784	-0.869	-0.869	0.000	0.000	0.000	0.000
848	A	258	LYS	1	0.899	0.936	38.061	-30.754	-30.754	0.000	0.000	0.000	0.000
849	A	259	GLU	-1	-1.023	-1.016	39.792	28.419	28.419	0.000	0.000	0.000	0.000
850	A	260	LEU	0	-0.075	-0.026	40.911	-0.809	-0.809	0.000	0.000	0.000	0.000
851	A	261	GLY	0	0.010	0.019	43.028	-0.629	-0.629	0.000	0.000	0.000	0.000
852	A	262	VAL	0	-0.035	-0.014	39.957	-0.317	-0.317	0.000	0.000	0.000	0.000
853	A	263	PRO	0	0.026	0.004	41.053	0.560	0.560	0.000	0.000	0.000	0.000
854	A	264	ILE	0	-0.018	-0.004	36.048	0.402	0.402	0.000	0.000	0.000	0.000
855	A	265	ILE	0	-0.005	0.011	31.851	-0.262	-0.262	0.000	0.000	0.000	0.000
856	A	266	MET	0	-0.053	-0.011	29.941	-0.343	-0.343	0.000	0.000	0.000	0.000
857	A	267	HIS	0	-0.034	-0.028	22.886	0.429	0.429	0.000	0.000	0.000	0.000
858	A	268	ASP	-1	-0.768	-0.902	23.994	41.930	41.930	0.000	0.000	0.000	0.000
859	A	269	TYR	0	-0.034	-0.018	21.435	1.463	1.463	0.000	0.000	0.000	0.000
860	A	270	LEU	0	-0.026	0.000	17.869	2.355	2.355	0.000	0.000	0.000	0.000
861	A	271	THR	0	-0.042	-0.034	17.886	2.469	2.469	0.000	0.000	0.000	0.000
862	A	272	GLY	0	0.012	0.017	19.177	0.941	0.941	0.000	0.000	0.000	0.000
863	A	273	GLY	0	-0.002	-0.008	17.743	2.061	2.061	0.000	0.000	0.000	0.000
864	A	274	PHE	0	0.060	0.007	16.430	-3.278	-3.278	0.000	0.000	0.000	0.000
865	A	275	THR	0	-0.012	0.016	17.180	-1.366	-1.366	0.000	0.000	0.000	0.000
866	A	276	ALA	0	0.021	-0.009	19.485	-2.378	-2.378	0.000	0.000	0.000	0.000
867	A	277	ASN	0	0.050	0.016	21.787	-3.082	-3.082	0.000	0.000	0.000	0.000
868	A	278	THR	0	-0.008	0.011	21.407	-2.071	-2.071	0.000	0.000	0.000	0.000
869	A	279	SER	0	-0.012	-0.030	23.844	-0.761	-0.761	0.000	0.000	0.000	0.000
870	A	280	LEU	0	-0.015	-0.003	25.615	-1.932	-1.932	0.000	0.000	0.000	0.000
871	A	281	ALA	0	0.043	0.014	27.337	-1.795	-1.795	0.000	0.000	0.000	0.000
872	A	282	ILE	0	-0.004	-0.002	26.125	-1.353	-1.353	0.000	0.000	0.000	0.000
873	A	283	TYR	0	0.053	0.026	29.832	-1.637	-1.637	0.000	0.000	0.000	0.000
874	A	284	CYS	0	-0.040	-0.013	31.736	-1.408	-1.408	0.000	0.000	0.000	0.000
875	A	285	ARG	1	0.845	0.913	32.840	-36.386	-36.386	0.000	0.000	0.000	0.000
876	A	286	ASP	-1	-0.935	-0.963	33.148	34.037	34.037	0.000	0.000	0.000	0.000
877	A	287	ASN	0	-0.115	-0.057	35.128	-1.865	-1.865	0.000	0.000	0.000	0.000
878	A	288	GLY	0	-0.012	0.014	37.702	-0.749	-0.749	0.000	0.000	0.000	0.000
879	A	289	LEU	0	-0.036	-0.019	35.514	-0.565	-0.565	0.000	0.000	0.000	0.000
880	A	290	LEU	0	-0.019	-0.012	35.820	0.671	0.671	0.000	0.000	0.000	0.000
881	A	291	LEU	0	0.010	-0.005	28.482	0.001	0.001	0.000	0.000	0.000	0.000
882	A	292	HIS	0	0.010	0.001	31.372	-0.105	-0.105	0.000	0.000	0.000	0.000
883	A	293	ILE	0	-0.001	0.004	25.765	0.655	0.655	0.000	0.000	0.000	0.000
884	A	294	HIS	0	0.111	0.030	27.014	0.683	0.683	0.000	0.000	0.000	0.000
885	A	295	ARG	1	0.775	0.852	24.047	-39.627	-39.627	0.000	0.000	0.000	0.000
886	A	296	ALA	0	0.025	0.010	23.310	1.391	1.391	0.000	0.000	0.000	0.000
887	A	297	MET	0	0.014	-0.003	14.852	1.530	1.530	0.000	0.000	0.000	0.000
888	A	298	HIS	1	0.813	0.882	19.434	-44.004	-44.004	0.000	0.000	0.000	0.000
889	A	299	ALA	0	0.018	0.023	20.246	1.394	1.394	0.000	0.000	0.000	0.000
890	A	300	VAL	0	-0.046	-0.011	16.046	0.255	0.255	0.000	0.000	0.000	0.000
891	A	301	ILE	0	-0.024	-0.019	15.112	2.653	2.653	0.000	0.000	0.000	0.000
892	A	302	ASP	-1	-0.764	-0.865	17.362	50.087	50.087	0.000	0.000	0.000	0.000
893	A	303	ARG	1	0.791	0.904	20.568	-44.027	-44.027	0.000	0.000	0.000	0.000
894	A	304	GLN	0	-0.029	-0.028	20.027	-2.327	-2.327	0.000	0.000	0.000	0.000
895	A	305	ARG	1	0.846	0.927	21.234	-41.866	-41.866	0.000	0.000	0.000	0.000
896	A	306	ASN	0	-0.018	-0.023	19.289	0.183	0.183	0.000	0.000	0.000	0.000
897	A	307	HIS	0	-0.013	-0.024	12.047	-0.563	-0.563	0.000	0.000	0.000	0.000
898	A	308	GLY	0	0.051	0.043	15.146	-1.968	-1.968	0.000	0.000	0.000	0.000
899	A	309	ILE	0	-0.039	-0.032	14.004	1.864	1.864	0.000	0.000	0.000	0.000
900	A	310	HIS	0	0.013	0.028	17.858	-1.064	-1.064	0.000	0.000	0.000	0.000
901	A	311	PHE	0	0.082	0.035	21.445	0.771	0.771	0.000	0.000	0.000	0.000
902	A	312	ARG	1	0.911	0.929	23.383	-46.107	-46.107	0.000	0.000	0.000	0.000
903	A	313	VAL	0	-0.029	-0.002	18.234	-0.543	-0.543	0.000	0.000	0.000	0.000
904	A	314	LEU	0	-0.008	-0.003	17.779	0.591	0.591	0.000	0.000	0.000	0.000
905	A	315	ALA	0	0.016	0.018	21.282	-0.575	-0.575	0.000	0.000	0.000	0.000
906	A	316	LYS	1	0.829	0.909	22.803	-46.915	-46.915	0.000	0.000	0.000	0.000
907	A	317	ALA	0	0.014	0.005	19.654	-0.435	-0.435	0.000	0.000	0.000	0.000
908	A	318	LEU	0	-0.004	0.001	21.515	-0.084	-0.084	0.000	0.000	0.000	0.000
909	A	319	ARG	1	0.786	0.908	24.066	-38.804	-38.804	0.000	0.000	0.000	0.000
910	A	320	MET	0	-0.018	-0.011	20.976	-0.756	-0.756	0.000	0.000	0.000	0.000
911	A	321	SER	0	-0.059	-0.035	21.826	-0.734	-0.734	0.000	0.000	0.000	0.000
912	A	322	GLY	0	0.032	0.006	23.787	-0.746	-0.746	0.000	0.000	0.000	0.000
913	A	323	GLY	0	0.027	-0.018	27.333	0.676	0.676	0.000	0.000	0.000	0.000
914	A	324	ASP	-1	-0.732	-0.844	29.590	34.254	34.254	0.000	0.000	0.000	0.000
915	A	325	HIS	1	0.733	0.835	32.191	-33.754	-33.754	0.000	0.000	0.000	0.000
916	A	326	LEU	0	0.044	0.021	25.987	1.189	1.189	0.000	0.000	0.000	0.000
917	A	327	HIS	0	0.052	0.069	28.809	-1.120	-1.120	0.000	0.000	0.000	0.000
918	A	328	SER	0	0.020	0.002	28.856	1.146	1.146	0.000	0.000	0.000	0.000
919	A	329	GLY	0	0.022	0.010	30.949	0.328	0.328	0.000	0.000	0.000	0.000
920	A	330	THR	0	0.037	0.024	31.866	-0.833	-0.833	0.000	0.000	0.000	0.000
921	A	331	VAL	0	0.033	0.039	34.217	-1.043	-1.043	0.000	0.000	0.000	0.000
922	A	332	VAL	0	-0.017	-0.020	35.641	0.020	0.020	0.000	0.000	0.000	0.000
923	A	333	GLY	0	0.008	0.015	36.618	-0.612	-0.612	0.000	0.000	0.000	0.000
924	A	334	LYS	1	0.771	0.875	32.957	-33.497	-33.497	0.000	0.000	0.000	0.000
925	A	335	LEU	0	-0.017	-0.003	28.821	0.544	0.544	0.000	0.000	0.000	0.000
926	A	336	GLU	-1	-0.778	-0.886	27.992	39.897	39.897	0.000	0.000	0.000	0.000
927	A	337	GLY	0	0.028	0.002	29.721	0.899	0.899	0.000	0.000	0.000	0.000
928	A	338	GLU	-1	-0.814	-0.894	31.087	34.094	34.094	0.000	0.000	0.000	0.000
929	A	339	ARG	1	0.889	0.932	33.142	-29.155	-29.155	0.000	0.000	0.000	0.000
930	A	340	GLU	-1	-0.854	-0.933	34.709	32.183	32.183	0.000	0.000	0.000	0.000
931	A	341	VAL	0	-0.040	-0.025	28.664	0.645	0.645	0.000	0.000	0.000	0.000
932	A	342	THR	0	-0.047	-0.042	30.868	0.933	0.933	0.000	0.000	0.000	0.000
933	A	343	LEU	0	-0.030	-0.015	32.374	0.027	0.027	0.000	0.000	0.000	0.000
934	A	344	GLY	0	0.044	0.035	31.831	-0.190	-0.190	0.000	0.000	0.000	0.000
935	A	345	PHE	0	-0.025	-0.018	28.156	0.544	0.544	0.000	0.000	0.000	0.000
936	A	346	VAL	0	0.006	-0.010	29.955	0.294	0.294	0.000	0.000	0.000	0.000
937	A	347	ASP	-1	-0.854	-0.917	32.957	33.146	33.146	0.000	0.000	0.000	0.000
938	A	348	LEU	0	-0.093	-0.042	27.153	0.570	0.570	0.000	0.000	0.000	0.000
939	A	349	MET	0	-0.078	-0.021	29.019	0.926	0.926	0.000	0.000	0.000	0.000
940	A	350	ARG	1	0.833	0.915	30.817	-32.060	-32.060	0.000	0.000	0.000	0.000
941	A	351	ASP	-1	-0.863	-0.918	34.133	32.129	32.129	0.000	0.000	0.000	0.000
942	A	352	ASP	-1	-0.896	-0.961	33.715	34.917	34.917	0.000	0.000	0.000	0.000
943	A	353	TYR	0	-0.021	-0.014	33.843	1.255	1.255	0.000	0.000	0.000	0.000
944	A	354	VAL	0	0.017	0.019	31.742	-0.656	-0.656	0.000	0.000	0.000	0.000
945	A	355	GLU	-1	-0.886	-0.956	32.399	34.665	34.665	0.000	0.000	0.000	0.000
946	A	356	LYS	1	0.912	0.958	29.977	-39.353	-39.353	0.000	0.000	0.000	0.000
947	A	357	ASP	-1	-0.788	-0.890	31.671	33.200	33.200	0.000	0.000	0.000	0.000
948	A	358	ARG	1	0.873	0.937	28.077	-42.123	-42.123	0.000	0.000	0.000	0.000
949	A	359	SER	0	-0.097	-0.055	31.723	0.467	0.467	0.000	0.000	0.000	0.000
950	A	360	ARG	1	0.983	0.987	32.815	-32.892	-32.892	0.000	0.000	0.000	0.000
951	A	361	GLY	0	-0.049	-0.036	28.779	0.847	0.847	0.000	0.000	0.000	0.000
952	A	362	ILE	0	-0.026	0.006	27.421	2.071	2.071	0.000	0.000	0.000	0.000
953	A	363	TYR	0	-0.052	-0.049	25.253	-0.909	-0.909	0.000	0.000	0.000	0.000
954	A	364	PHE	0	-0.054	-0.039	22.379	-0.182	-0.182	0.000	0.000	0.000	0.000
955	A	365	THR	0	0.034	0.027	27.860	-0.088	-0.088	0.000	0.000	0.000	0.000
956	A	366	GLN	0	-0.052	-0.017	26.228	2.996	2.996	0.000	0.000	0.000	0.000
957	A	367	ASP	-1	-0.838	-0.923	29.599	34.937	34.937	0.000	0.000	0.000	0.000
958	A	368	TRP	0	-0.024	-0.027	25.578	2.130	2.130	0.000	0.000	0.000	0.000
959	A	369	SMC	0	-0.044	-0.013	31.081	0.143	0.143	0.000	0.000	0.000	0.000
960	A	370	SER	0	-0.028	-0.028	33.432	-0.342	-0.342	0.000	0.000	0.000	0.000
961	A	371	MET	0	-0.080	-0.001	26.967	-0.108	-0.108	0.000	0.000	0.000	0.000
962	A	372	PRO	0	0.032	0.014	32.435	-0.274	-0.274	0.000	0.000	0.000	0.000
963	A	373	GLY	0	0.046	0.036	32.373	1.138	1.138	0.000	0.000	0.000	0.000
964	A	374	VAL	0	-0.025	-0.026	29.393	-0.545	-0.545	0.000	0.000	0.000	0.000
965	A	375	MET	0	0.001	0.006	32.792	-0.368	-0.368	0.000	0.000	0.000	0.000
966	A	376	PRO	0	0.003	0.006	33.026	0.827	0.827	0.000	0.000	0.000	0.000
967	A	377	VAL	0	-0.018	-0.013	32.946	-1.200	-1.200	0.000	0.000	0.000	0.000
968	A	378	ALA	0	0.041	0.037	33.283	0.948	0.948	0.000	0.000	0.000	0.000
969	A	379	SER	0	-0.012	-0.033	33.538	-1.302	-1.302	0.000	0.000	0.000	0.000
970	A	380	GLY	0	0.090	0.042	33.729	0.899	0.899	0.000	0.000	0.000	0.000
971	A	381	GLY	0	-0.044	-0.034	35.045	0.039	0.039	0.000	0.000	0.000	0.000
972	A	382	ILE	0	-0.050	-0.014	37.807	-0.410	-0.410	0.000	0.000	0.000	0.000
973	A	383	HIS	0	0.010	-0.028	40.321	-0.581	-0.581	0.000	0.000	0.000	0.000
974	A	384	VAL	0	0.065	0.027	44.014	0.073	0.073	0.000	0.000	0.000	0.000
975	A	385	TRP	0	-0.088	-0.047	47.029	-0.401	-0.401	0.000	0.000	0.000	0.000
976	A	386	HIS	0	0.034	0.024	41.746	-0.132	-0.132	0.000	0.000	0.000	0.000
977	A	387	MET	0	-0.033	0.013	44.005	0.539	0.539	0.000	0.000	0.000	0.000
978	A	388	PRO	0	0.020	-0.004	45.501	0.198	0.198	0.000	0.000	0.000	0.000
979	A	389	ALA	0	0.011	0.014	42.713	0.122	0.122	0.000	0.000	0.000	0.000
980	A	390	LEU	0	-0.002	0.003	39.204	0.496	0.496	0.000	0.000	0.000	0.000
981	A	391	VAL	0	0.021	0.003	41.832	0.390	0.390	0.000	0.000	0.000	0.000
982	A	392	GLU	-1	-0.900	-0.933	43.637	28.171	28.171	0.000	0.000	0.000	0.000
983	A	393	ILE	0	-0.033	-0.006	37.812	0.280	0.280	0.000	0.000	0.000	0.000
984	A	394	PHE	0	-0.028	-0.013	35.015	0.543	0.543	0.000	0.000	0.000	0.000
985	A	395	GLY	0	0.027	0.022	40.077	0.203	0.203	0.000	0.000	0.000	0.000
986	A	396	ASP	-1	-0.832	-0.922	42.795	26.160	26.160	0.000	0.000	0.000	0.000
987	A	397	ASP	-1	-0.876	-0.920	39.588	28.985	28.985	0.000	0.000	0.000	0.000
988	A	398	ALA	0	0.042	-0.001	38.059	1.015	1.015	0.000	0.000	0.000	0.000
989	A	399	CYS	0	-0.075	-0.012	37.261	-1.062	-1.062	0.000	0.000	0.000	0.000
990	A	400	LEU	0	0.014	0.005	37.674	0.767	0.767	0.000	0.000	0.000	0.000
991	A	401	GLN	0	0.035	-0.001	34.385	-0.840	-0.840	0.000	0.000	0.000	0.000
992	A	402	PHE	0	0.036	0.009	38.821	0.277	0.277	0.000	0.000	0.000	0.000
993	A	403	GLY	0	0.089	0.043	38.778	-0.567	-0.567	0.000	0.000	0.000	0.000
994	A	404	GLY	0	0.018	-0.012	39.290	-0.838	-0.838	0.000	0.000	0.000	0.000
995	A	405	GLY	0	-0.025	-0.014	41.182	-0.708	-0.708	0.000	0.000	0.000	0.000
996	A	406	THR	0	-0.030	-0.025	43.263	-0.831	-0.831	0.000	0.000	0.000	0.000
997	A	407	LEU	0	-0.021	-0.027	41.374	-0.673	-0.673	0.000	0.000	0.000	0.000
998	A	408	GLY	0	0.025	0.010	44.809	-0.188	-0.188	0.000	0.000	0.000	0.000
999	A	409	HIS	0	-0.027	-0.005	45.813	-0.330	-0.330	0.000	0.000	0.000	0.000
1000	A	410	PRO	0	-0.002	-0.012	49.066	-0.098	-0.098	0.000	0.000	0.000	0.000
1001	A	411	TRP	0	-0.046	-0.057	52.008	-0.402	-0.402	0.000	0.000	0.000	0.000
1002	A	412	GLY	0	0.040	0.037	50.172	-0.261	-0.261	0.000	0.000	0.000	0.000
1003	A	413	ASN	0	0.024	0.002	45.698	-0.005	-0.005	0.000	0.000	0.000	0.000
1004	A	414	ALA	0	0.053	0.047	48.728	0.156	0.156	0.000	0.000	0.000	0.000
1005	A	415	PRO	0	0.007	-0.017	51.351	0.009	0.009	0.000	0.000	0.000	0.000
1006	A	416	GLY	0	0.029	0.009	48.622	0.004	0.004	0.000	0.000	0.000	0.000
1007	A	417	ALA	0	-0.028	-0.007	47.531	0.272	0.272	0.000	0.000	0.000	0.000
1008	A	418	ALA	0	0.031	0.034	48.515	0.093	0.093	0.000	0.000	0.000	0.000
1009	A	419	ALA	0	-0.046	-0.019	50.172	-0.103	-0.103	0.000	0.000	0.000	0.000
1010	A	420	ASN	0	0.007	-0.007	45.585	-0.016	-0.016	0.000	0.000	0.000	0.000
1011	A	421	ARG	1	0.742	0.856	48.132	-23.820	-23.820	0.000	0.000	0.000	0.000
1012	A	422	VAL	0	0.024	0.012	49.690	-0.114	-0.114	0.000	0.000	0.000	0.000
1013	A	423	ALA	0	-0.023	-0.009	49.023	-0.133	-0.133	0.000	0.000	0.000	0.000
1014	A	424	LEU	0	0.020	0.000	45.628	-0.026	-0.026	0.000	0.000	0.000	0.000
1015	A	425	GLU	-1	-0.748	-0.875	48.767	22.999	22.999	0.000	0.000	0.000	0.000
1016	A	426	ALA	0	0.007	0.004	51.914	-0.256	-0.256	0.000	0.000	0.000	0.000
1017	A	427	CYS	0	-0.055	-0.031	49.313	-0.139	-0.139	0.000	0.000	0.000	0.000
1018	A	428	THR	0	-0.006	-0.006	49.309	0.165	0.165	0.000	0.000	0.000	0.000
1019	A	429	GLN	0	-0.009	-0.002	51.056	-0.348	-0.348	0.000	0.000	0.000	0.000
1020	A	430	ALA	0	-0.011	-0.007	53.679	-0.229	-0.229	0.000	0.000	0.000	0.000
1021	A	431	ARG	1	0.826	0.899	47.180	-25.275	-25.275	0.000	0.000	0.000	0.000
1022	A	432	ASN	0	-0.020	-0.022	52.296	0.343	0.343	0.000	0.000	0.000	0.000
1023	A	433	GLU	-1	-0.951	-0.977	54.510	20.643	20.643	0.000	0.000	0.000	0.000
1024	A	434	GLY	0	-0.028	-0.006	55.786	-0.370	-0.370	0.000	0.000	0.000	0.000
1025	A	435	ARG	1	0.861	0.947	55.180	-21.442	-21.442	0.000	0.000	0.000	0.000
1026	A	436	ASP	-1	-0.821	-0.923	50.914	24.679	24.679	0.000	0.000	0.000	0.000
1027	A	437	LEU	0	-0.006	-0.019	48.300	-0.099	-0.099	0.000	0.000	0.000	0.000
1028	A	438	ALA	0	0.008	0.010	47.331	0.151	0.151	0.000	0.000	0.000	0.000
1029	A	439	ARG	1	0.872	0.941	48.679	-22.976	-22.976	0.000	0.000	0.000	0.000
1030	A	440	GLU	-1	-0.850	-0.928	52.103	21.580	21.580	0.000	0.000	0.000	0.000
1031	A	441	GLY	0	0.045	0.024	50.278	-0.228	-0.228	0.000	0.000	0.000	0.000
1032	A	442	GLY	0	-0.005	-0.017	51.332	-0.094	-0.094	0.000	0.000	0.000	0.000
1033	A	443	ASP	-1	-0.865	-0.932	52.746	21.358	21.358	0.000	0.000	0.000	0.000
1034	A	444	VAL	0	-0.025	-0.002	53.095	-0.397	-0.397	0.000	0.000	0.000	0.000
1035	A	445	ILE	0	0.041	0.022	49.965	-0.255	-0.255	0.000	0.000	0.000	0.000
1036	A	446	ARG	1	0.879	0.922	53.505	-22.413	-22.413	0.000	0.000	0.000	0.000
1037	A	447	SER	0	-0.073	-0.039	56.502	-0.473	-0.473	0.000	0.000	0.000	0.000
1038	A	448	ALA	0	0.050	0.030	54.823	-0.302	-0.302	0.000	0.000	0.000	0.000
1039	A	449	CYS	0	-0.126	-0.069	50.427	0.271	0.271	0.000	0.000	0.000	0.000
1040	A	450	LYS	1	0.880	0.940	56.794	-20.222	-20.222	0.000	0.000	0.000	0.000
1041	A	451	TRP	0	-0.014	0.017	57.663	-0.218	-0.218	0.000	0.000	0.000	0.000
1042	A	452	SER	0	0.038	0.040	56.535	-0.056	-0.056	0.000	0.000	0.000	0.000
1043	A	453	PRO	0	0.005	0.003	57.690	0.178	0.178	0.000	0.000	0.000	0.000
1044	A	454	GLU	-1	-0.835	-0.950	54.134	21.245	21.245	0.000	0.000	0.000	0.000
1045	A	455	LEU	0	0.040	0.018	51.490	0.419	0.419	0.000	0.000	0.000	0.000
1046	A	456	ALA	0	0.009	0.001	53.517	0.309	0.309	0.000	0.000	0.000	0.000
1047	A	457	ALA	0	-0.055	-0.026	54.378	0.113	0.113	0.000	0.000	0.000	0.000
1048	A	458	ALA	0	0.023	0.011	49.467	0.258	0.258	0.000	0.000	0.000	0.000
1049	A	460	GLU	-1	-0.951	-0.979	51.973	22.294	22.294	0.000	0.000	0.000	0.000
1050	A	461	VAL	0	-0.013	0.015	48.473	0.158	0.158	0.000	0.000	0.000	0.000
1051	A	462	TRP	0	-0.017	-0.029	45.277	0.237	0.237	0.000	0.000	0.000	0.000
1052	A	463	LYS	1	0.928	0.984	47.679	-21.775	-21.775	0.000	0.000	0.000	0.000
1053	A	464	GLU	-1	-0.919	-0.975	48.775	23.871	23.871	0.000	0.000	0.000	0.000
1054	A	465	ILE	0	-0.068	-0.012	42.743	0.432	0.432	0.000	0.000	0.000	0.000
1055	A	466	LYS	1	0.954	0.975	42.607	-25.945	-25.945	0.000	0.000	0.000	0.000
1056	A	467	PHE	0	-0.002	0.002	37.112	0.237	0.237	0.000	0.000	0.000	0.000
1057	A	468	GLU	-1	-0.956	-0.973	38.365	28.534	28.534	0.000	0.000	0.000	0.000
1058	A	469	PHE	0	0.022	-0.003	34.528	-0.127	-0.127	0.000	0.000	0.000	0.000
1059	A	470	ASP	-1	-0.832	-0.901	32.498	36.101	36.101	0.000	0.000	0.000	0.000
1060	A	471	THR	0	-0.037	-0.011	30.345	0.373	0.373	0.000	0.000	0.000	0.000
1061	A	472	ILE	0	-0.033	-0.025	25.355	-0.212	-0.212	0.000	0.000	0.000	0.000
1062	A	473	ASP	-1	-0.823	-0.889	25.658	46.141	46.141	0.000	0.000	0.000	0.000
1063	A	474	LYS	1	0.842	0.928	27.124	-37.825	-37.825	0.000	0.000	0.000	0.000
1064	A	475	LEU	0	0.025	0.021	28.005	1.519	1.519	0.000	0.000	0.000	0.000
1065	I	1	MME	1	0.816	0.907	54.853	-20.610	-20.610	0.000	0.000	0.000	0.000
1066	I	2	MET	0	0.024	0.031	58.387	-0.312	-0.312	0.000	0.000	0.000	0.000
1067	I	3	VAL	0	0.024	0.008	57.670	0.377	0.377	0.000	0.000	0.000	0.000
1068	I	4	TRP	0	0.073	0.050	55.302	-0.361	-0.361	0.000	0.000	0.000	0.000
1069	I	5	THR	0	0.039	0.020	57.569	0.162	0.162	0.000	0.000	0.000	0.000
1070	I	6	PRO	0	0.029	0.025	57.230	0.147	0.147	0.000	0.000	0.000	0.000
1071	I	7	VAL	0	-0.036	-0.025	58.588	-0.018	-0.018	0.000	0.000	0.000	0.000
1072	I	8	ASN	0	-0.059	-0.033	62.023	0.082	0.082	0.000	0.000	0.000	0.000
1073	I	9	ASN	0	0.011	-0.004	58.478	-0.304	-0.304	0.000	0.000	0.000	0.000
1074	I	10	LYS	1	0.835	0.923	57.594	-20.692	-20.692	0.000	0.000	0.000	0.000
1075	I	11	MET	0	-0.047	-0.009	54.680	-0.317	-0.317	0.000	0.000	0.000	0.000
1076	I	12	PHE	0	-0.042	-0.040	56.013	-0.031	-0.031	0.000	0.000	0.000	0.000
1077	I	13	GLU	-1	-0.767	-0.866	49.917	24.653	24.653	0.000	0.000	0.000	0.000
1078	I	14	THR	0	-0.045	-0.033	50.877	-0.115	-0.115	0.000	0.000	0.000	0.000
1079	I	15	PHE	0	-0.014	-0.014	52.962	-0.329	-0.329	0.000	0.000	0.000	0.000
1080	I	16	SER	0	-0.101	-0.043	54.585	-0.405	-0.405	0.000	0.000	0.000	0.000
1081	I	17	TYR	0	0.011	-0.005	52.864	-0.257	-0.257	0.000	0.000	0.000	0.000
1082	I	18	LEU	0	-0.059	-0.023	55.145	-0.062	-0.062	0.000	0.000	0.000	0.000
1083	I	19	PRO	0	-0.033	-0.024	58.285	-0.211	-0.211	0.000	0.000	0.000	0.000
1084	I	20	PRO	0	-0.015	-0.016	61.548	0.149	0.149	0.000	0.000	0.000	0.000
1085	I	21	LEU	0	-0.001	0.019	59.406	-0.146	-0.146	0.000	0.000	0.000	0.000
1086	I	22	THR	0	-0.009	-0.004	63.312	-0.301	-0.301	0.000	0.000	0.000	0.000
1087	I	23	ASP	-1	-0.867	-0.946	65.561	18.130	18.130	0.000	0.000	0.000	0.000
1088	I	24	GLU	-1	-0.991	-0.993	65.588	18.791	18.791	0.000	0.000	0.000	0.000
1089	I	25	GLN	0	0.065	0.034	61.866	0.055	0.055	0.000	0.000	0.000	0.000
1090	I	26	ILE	0	0.009	0.000	61.728	0.402	0.402	0.000	0.000	0.000	0.000
1091	I	27	ALA	0	-0.019	-0.019	62.333	0.245	0.245	0.000	0.000	0.000	0.000
1092	I	28	ALA	0	0.063	0.041	60.701	0.155	0.155	0.000	0.000	0.000	0.000
1093	I	29	GLN	0	0.042	0.022	56.367	0.732	0.732	0.000	0.000	0.000	0.000
1094	I	30	VAL	0	-0.059	-0.029	58.226	0.293	0.293	0.000	0.000	0.000	0.000
1095	I	31	ASP	-1	-0.887	-0.949	59.886	19.986	19.986	0.000	0.000	0.000	0.000
1096	I	32	TYR	0	-0.016	0.007	50.266	0.297	0.297	0.000	0.000	0.000	0.000
1097	I	33	ILE	0	-0.023	-0.019	55.397	0.395	0.395	0.000	0.000	0.000	0.000
1098	I	34	VAL	0	-0.032	-0.016	56.003	0.199	0.199	0.000	0.000	0.000	0.000
1099	I	35	ALA	0	-0.060	-0.028	56.250	0.085	0.085	0.000	0.000	0.000	0.000
1100	I	36	ASN	0	-0.069	-0.036	51.357	0.574	0.574	0.000	0.000	0.000	0.000
1101	I	37	GLY	0	-0.045	-0.003	52.456	0.354	0.354	0.000	0.000	0.000	0.000
1102	I	38	TRP	0	-0.017	-0.001	48.993	-0.046	-0.046	0.000	0.000	0.000	0.000
1103	I	39	ILE	0	-0.034	-0.024	53.141	-0.513	-0.513	0.000	0.000	0.000	0.000
1104	I	40	PRO	0	0.028	0.021	55.944	0.181	0.181	0.000	0.000	0.000	0.000
1105	I	41	CYS	0	-0.030	-0.012	57.453	-0.190	-0.190	0.000	0.000	0.000	0.000
1106	I	42	LEU	0	0.010	0.031	59.187	0.070	0.070	0.000	0.000	0.000	0.000
1107	I	43	GLU	-1	-0.848	-0.918	56.325	22.098	22.098	0.000	0.000	0.000	0.000
1108	I	44	PHE	0	-0.020	-0.024	60.786	-0.120	-0.120	0.000	0.000	0.000	0.000
1109	I	45	ALA	0	0.030	0.013	61.360	0.154	0.154	0.000	0.000	0.000	0.000
1110	I	46	GLU	-1	-0.897	-0.940	63.481	18.382	18.382	0.000	0.000	0.000	0.000
1111	I	47	ALA	0	0.039	-0.006	64.251	0.314	0.314	0.000	0.000	0.000	0.000
1112	I	48	ASP	-1	-0.907	-0.951	63.579	18.928	18.928	0.000	0.000	0.000	0.000
1113	I	49	LYS	1	0.872	0.935	61.263	-19.804	-19.804	0.000	0.000	0.000	0.000
1114	I	50	ALA	0	-0.019	0.002	60.136	0.297	0.297	0.000	0.000	0.000	0.000
1115	I	51	TYR	0	-0.045	-0.055	57.653	0.353	0.353	0.000	0.000	0.000	0.000
1116	I	52	VAL	0	0.002	0.015	51.459	-0.058	-0.058	0.000	0.000	0.000	0.000
1117	I	53	SER	0	-0.053	-0.048	54.830	-0.173	-0.173	0.000	0.000	0.000	0.000
1118	I	54	ASN	0	0.024	-0.007	51.467	0.752	0.752	0.000	0.000	0.000	0.000
1119	I	55	GLU	-1	-0.842	-0.896	54.026	21.505	21.505	0.000	0.000	0.000	0.000
1120	I	56	SER	0	-0.042	-0.058	54.329	-0.212	-0.212	0.000	0.000	0.000	0.000
1121	I	57	ALA	0	0.005	0.002	51.095	0.127	0.127	0.000	0.000	0.000	0.000
1122	I	58	ILE	0	-0.044	-0.012	52.596	0.166	0.166	0.000	0.000	0.000	0.000
1123	I	59	ARG	1	0.886	0.936	54.380	-21.798	-21.798	0.000	0.000	0.000	0.000
1124	I	60	PHE	0	-0.057	-0.009	48.843	0.183	0.183	0.000	0.000	0.000	0.000
1125	I	61	GLY	0	0.051	0.039	47.464	-0.185	-0.185	0.000	0.000	0.000	0.000
1126	I	62	SER	0	0.009	-0.008	43.541	-0.332	-0.332	0.000	0.000	0.000	0.000
1127	I	63	VAL	0	-0.023	-0.035	42.974	0.799	0.799	0.000	0.000	0.000	0.000
1128	I	64	SER	0	0.044	0.030	44.753	-0.072	-0.072	0.000	0.000	0.000	0.000
1129	I	65	CYS	0	-0.044	0.003	41.332	-0.193	-0.193	0.000	0.000	0.000	0.000
1130	I	66	LEU	0	-0.010	0.004	40.704	-0.009	-0.009	0.000	0.000	0.000	0.000
1131	I	67	TYR	0	-0.111	-0.053	44.571	-0.095	-0.095	0.000	0.000	0.000	0.000
1132	I	68	TYR	0	0.036	-0.009	45.919	0.097	0.097	0.000	0.000	0.000	0.000
1133	I	69	ASP	-1	-0.786	-0.848	50.939	22.538	22.538	0.000	0.000	0.000	0.000
1134	I	70	ASN	0	0.011	-0.008	54.561	-0.058	-0.058	0.000	0.000	0.000	0.000
1135	I	71	ARG	1	0.867	0.943	46.908	-25.247	-25.247	0.000	0.000	0.000	0.000
1136	I	72	TYR	0	-0.008	-0.003	50.728	-0.019	-0.019	0.000	0.000	0.000	0.000
1137	I	73	TRP	0	-0.022	-0.002	55.371	-0.352	-0.352	0.000	0.000	0.000	0.000
1138	I	74	THR	0	-0.027	-0.011	58.740	0.125	0.125	0.000	0.000	0.000	0.000
1139	I	75	MET	0	0.023	0.023	57.599	-0.070	-0.070	0.000	0.000	0.000	0.000
1140	I	76	TRP	0	-0.021	-0.019	61.299	-0.447	-0.447	0.000	0.000	0.000	0.000
1141	I	77	LYS	1	0.786	0.895	63.541	-18.021	-18.021	0.000	0.000	0.000	0.000
1142	I	78	LEU	0	0.018	-0.005	60.597	0.179	0.179	0.000	0.000	0.000	0.000
1143	I	79	PRO	0	0.030	0.003	57.066	-0.181	-0.181	0.000	0.000	0.000	0.000
1144	I	80	MET	0	-0.023	-0.003	59.470	-0.210	-0.210	0.000	0.000	0.000	0.000
1145	I	81	PHE	0	0.022	-0.007	55.380	0.156	0.156	0.000	0.000	0.000	0.000
1146	I	82	GLY	0	-0.011	-0.001	58.636	-0.316	-0.316	0.000	0.000	0.000	0.000
1147	I	83	CYS	0	-0.089	-0.017	60.322	-0.262	-0.262	0.000	0.000	0.000	0.000
1148	I	84	ARG	1	0.985	0.979	60.324	-20.146	-20.146	0.000	0.000	0.000	0.000
1149	I	85	ASP	-1	-0.865	-0.946	62.061	18.372	18.372	0.000	0.000	0.000	0.000
1150	I	86	PRO	0	0.130	0.061	63.503	-0.041	-0.041	0.000	0.000	0.000	0.000
1151	I	87	MET	0	0.017	0.000	64.766	-0.122	-0.122	0.000	0.000	0.000	0.000
1152	I	88	GLN	0	-0.074	-0.044	66.218	-0.003	-0.003	0.000	0.000	0.000	0.000
1153	I	89	VAL	0	0.069	0.037	62.004	-0.090	-0.090	0.000	0.000	0.000	0.000
1154	I	90	LEU	0	0.035	0.015	65.084	-0.097	-0.097	0.000	0.000	0.000	0.000
1155	I	91	ARG	1	0.921	0.953	67.502	-17.840	-17.840	0.000	0.000	0.000	0.000
1156	I	92	GLU	-1	-0.800	-0.891	66.114	18.066	18.066	0.000	0.000	0.000	0.000
1157	I	93	ILE	0	0.040	0.029	63.764	-0.030	-0.030	0.000	0.000	0.000	0.000
1158	I	94	VAL	0	-0.004	0.017	67.319	-0.161	-0.161	0.000	0.000	0.000	0.000
1159	I	95	ALA	0	-0.057	-0.030	70.347	-0.196	-0.196	0.000	0.000	0.000	0.000
1160	I	96	CYS	0	-0.034	-0.011	66.583	-0.068	-0.068	0.000	0.000	0.000	0.000
1161	I	97	THR	0	0.031	-0.008	68.012	-0.169	-0.169	0.000	0.000	0.000	0.000
1162	I	98	LYS	1	0.914	0.963	70.227	-16.388	-16.388	0.000	0.000	0.000	0.000
1163	I	99	ALA	0	-0.081	-0.036	71.255	-0.216	-0.216	0.000	0.000	0.000	0.000
1164	I	100	PHE	0	-0.026	-0.017	69.085	-0.085	-0.085	0.000	0.000	0.000	0.000
1165	I	101	PRO	0	0.039	0.027	70.122	0.243	0.243	0.000	0.000	0.000	0.000
1166	I	102	ASP	-1	-0.917	-0.956	71.225	17.039	17.039	0.000	0.000	0.000	0.000
1167	I	103	ALA	0	-0.062	-0.024	66.452	0.182	0.182	0.000	0.000	0.000	0.000
1168	I	104	TYR	0	0.041	0.047	62.378	-0.007	-0.007	0.000	0.000	0.000	0.000
1169	I	105	VAL	0	0.015	0.003	63.282	0.056	0.056	0.000	0.000	0.000	0.000
1170	I	106	ARG	1	0.844	0.925	55.505	-22.011	-22.011	0.000	0.000	0.000	0.000
1171	I	107	LEU	0	-0.016	0.003	58.864	-0.165	-0.165	0.000	0.000	0.000	0.000
1172	I	108	VAL	0	0.034	0.017	54.429	0.278	0.278	0.000	0.000	0.000	0.000
1173	I	109	ALA	0	0.018	-0.008	53.891	-0.371	-0.371	0.000	0.000	0.000	0.000
1174	I	110	PHE	0	-0.012	-0.004	51.119	0.440	0.440	0.000	0.000	0.000	0.000
1175	I	111	ASP	-1	-0.765	-0.877	47.280	25.800	25.800	0.000	0.000	0.000	0.000
1176	I	112	ASN	0	-0.025	-0.040	48.242	0.318	0.318	0.000	0.000	0.000	0.000
1177	I	113	GLN	0	-0.029	-0.007	45.068	0.662	0.662	0.000	0.000	0.000	0.000
1178	I	114	LYS	1	0.909	0.955	41.864	-27.827	-27.827	0.000	0.000	0.000	0.000
1179	I	115	GLN	0	-0.077	-0.029	43.658	-0.190	-0.190	0.000	0.000	0.000	0.000
1180	I	116	VAL	0	0.033	0.016	44.490	0.297	0.297	0.000	0.000	0.000	0.000
1181	I	117	GLN	0	0.000	0.003	46.876	-0.537	-0.537	0.000	0.000	0.000	0.000
1182	I	118	ILE	0	-0.019	-0.014	46.756	0.510	0.510	0.000	0.000	0.000	0.000
1183	I	119	MET	0	-0.026	-0.011	49.161	-0.011	-0.011	0.000	0.000	0.000	0.000
1184	I	120	GLY	0	0.076	0.022	52.055	-0.104	-0.104	0.000	0.000	0.000	0.000
1185	I	121	PHE	0	-0.021	0.001	54.496	0.162	0.162	0.000	0.000	0.000	0.000
1186	I	122	LEU	0	-0.023	-0.017	57.130	-0.257	-0.257	0.000	0.000	0.000	0.000
1187	I	123	VAL	0	-0.009	-0.011	60.242	-0.065	-0.065	0.000	0.000	0.000	0.000
1188	I	124	GLN	0	-0.039	-0.032	63.574	-0.501	-0.501	0.000	0.000	0.000	0.000
1189	I	125	ARG	1	0.936	0.962	61.499	-19.307	-19.307	0.000	0.000	0.000	0.000
1190	I	126	PRO	0	-0.006	0.023	65.743	-0.167	-0.167	0.000	0.000	0.000	0.000
1191	A	1477	CAP	-4	-3.143	-3.528	28.397	140.839	140.839	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #596(A:1477:CAP)