Project name: DbD2Pr-KP-T4

Chain sequence(s)	A: TGPIICAGPIHSNKSANIPHLLGYSEKICQIDRLIHVSSWLRNHSQFQGYVGQRGGRSQVSYYPAENSYSRWSGLLSPCDADWLGMLVVKKAKGSDMIVPGPSYKGKVFFERPTFDGYVGWGCGSGKSRTESGELCSSDSGTSSGLLPSDRVLWIGDVACQPMTPIPEETFLELKSFSQSEFPDICKIDGIVFNQCESESLPQPFDVAWMDVGHSHKIIMREHKTKWVQECSSKCFVCYKEGTGPCSESEEKTCKTSGSCRGDMQFCKVAGCEHGEEASGAKCRCSLVHKPGEVVVSYGGMRVRPKCYGFSRMMATLEVNPPEQRIGQCTGCHLECINGGVRLITLTSELKSATVCASHFCSSATSGKKSTEIQFHSGSLVGKTAIHVKGALVDGTEFTFEGSCMFPDGCDAVDCTFCREFLKNPQCYPAKKWLFIIIVILLGYAGLMLLTNVLKAIGGSWVIAPVKLMFAIIKKLMRSVSCLMGKLMDRGRQVIHEEIEGCDEMVHADSKLVSCKQGSGNMKECVTTGRALLPAVNPGQEACLHFTAPGSPDSKCLKIKVKRINLKCKKSSSYFVPDARSRCTSVRRCRWAGDCQSGCPSHFTSNSFSDDWAGKMDRAGLGFSGCSDGCGGAACGCFNAAPSCIFWRKWVENPHGIIWKVSPCAAWVPSAVIELTMPSGEVRTFHPMSGIPTQVFKGVSVTYLGSDMEVSGLTDLCEIEELKSKKLALAPCNQAGMGVVGKVGEIQCSSEESARTIKKDGCIWNADLVGIELRVDDAVCYSKITSVEAVANYSAIPTTIGGLRFERSHDSQGKISGSPLDITAIRGSFSVNYRGLRLSLSEVTATCTGEVTNVSGCCSCMTGAKVSIKLHSSKNSTAHVRCKGDETAFSVLEGVHSYTVSLSFDHAVVDEQCQLNCGGHESQVTLKGNLICLDVPKFVDGSYMQTYHSSVPTGANIPSPTDWLNALFGNGLSRWILGVIGVLLGGLALFFLIMSLFKLGTKQVFRSR; C: TGPIICAGPIHSNKSANIPHLLGYSEKICQIDRLIHVSSWLRNHSQFQGYVGQRGGRSQVSYYPAENSYSRWSGLLSPCDADWLGMLVVKKAKGSDMIVPGPSYKGKVFFERPTFDGYVGWGCGSGKSRTESGELCSSDSGTSSGLLPSDRVLWIGDVACQPMTPIPEETFLELKSFSQSEFPDICKIDGIVFNQCESESLPQPFDVAWMDVGHSHKIIMREHKTKWVQECSSKCFVCYKEGTGPCSESEEKTCKTSGSCRGDMQFCKVAGCEHGEEASGAKCRCSLVHKPGEVVVSYGGMRVRPKCYGFSRMMATLEVNPPEQRIGQCTGCHLECINGGVRLITLTSELKSATVCASHFCSSATSGKKSTEIQFHSGSLVGKTAIHVKGALVDGTEFTFEGSCMFPDGCDAVDCTFCREFLKNPQCYPAKKWLFIIIVILLGYAGLMLLTNVWGSWVIAPVKLMFAIIKKLMRSVSCLMGKLMDRGRQVIHEEIEGCDEMVHADSKLVSCKQGSGNMKECVTTGRALLPAVNPGQEACLHFTAPGSPDSKCLKIKVKRINLKCKKSSSYFVPDARSRCTSVRRCRWAGDCQSGCPSHFTSNSFSDDWAGKMDRAGLGFSGCSDGCGGAACGCFNAAPSCIFWRKWVENPHGIIWKVSPCAAWVPSAVIELTMPSGEVRTFHPMSGIPTQVFKGVSVTYLGSDMEVSGLTDLCEIEELKSKKLALAPCNQAGMGVVGKVGEIQCSSEESARTIKKDGCIWNADLVGIELRVDDAVCYSKITSVEAVANYSAIPTTIGGLRFERSHDSQGKISGSPLDITAIRGSFSVNYRGLRLSLSEVTATCTGEVTNVSGCCSCMTGAKVSIKLHSSKNSTAHVRCKGDETAFSVLEGVHSYTVSLSFDHAVVDEQCQLNCGGHESQVTLKGNLICLDVPKFVDGSYMQTYHSSVPTGANIPSPTDWLNALFRWILGVIGVLLGGLALFFLIMSLFKLGTKQVFRSR; E: TGPIICAGPIHSNKSANIPHLLGYSEKICQIDRLIHVSSWLRNHSQFQGYVGQRGGRSQVSYYPAENSYSRWSGLLSPCDADWLGMLVVKKAKGSDMIVPGPSYKGKVFFERPTFDGYVGWGCGSGKSRTESGELCSSDSGTSSGLLPSDRVLWIGDVACQPMTPIPEETFLELKSFSQSEFPDICKIDGIVFNQCESESLPQPFDVAWMDVGHSHKIIMREHKTKWVQECSSKCFVCYKEGTGPCSESEEKTCKTSGSCRGDMQFCKVAGCEHGEEASGAKCRCSLVHKPGEVVVSYGGMRVRPKCYGFSRMMATLEVNPPEQRIGQCTGCHLECINGGVRLITLTSELKSATVCASHFCSSATSGKKSTEIQFHSGSLVGKTAIHVKGALVDGTEFTFEGSCMFPDGCDAVDCTFCREFLKNPQCYPAKKWLFIIIVILLGYAGLMLLTNVLKAWGSWVIAPVKLMFAIIKKLMRSVSCLMGKLMDRGRQVIHEEIEGCDEMVHADSKLVSCKQGSGNMKECVTTGRALLPAVNPGQEACLHFTAPGSPDSKCLKIKVKRINLKCKKSSSYFVPDARSRCTSVRRCRWAGDCQSGCPSHFTSNSFSDDWAGKMDRAGLGFSGCSDGCGGAACGCFNAAPSCIFWRKWVENPHGIIWKVSPCAAWVPSAVIELTMPSGEVRTFHPMSGIPTQVFKGVSVTYLGSDMEVSGLTDLCEIEELKSKKLALAPCNQAGMGVVGKVGEIQCSSEESARTIKKDGCIWNADLVGIELRVDDAVCYSKITSVEAVANYSAIPTTIGGLRFERSHDSQGKISGSPLDITAIRGSFSVNYRGLRLSLSEVTATCTGEVTNVSGCCSCMTGAKVSIKLHSSKNSTAHVRCKGDETAFSVLEGVHSYTVSLSFDHAVVDEQCQLNCGGHESQVTLKGNLICLDVPKFVDGSYMQTYHSSVPTGANIPSPTDWLNALFGNGLSRWILGVIGVLLGGLALFFLIMSLFKLGTKQVFRSR; G: TGPIICAGPIHSNKSANIPHLLGYSEKICQIDRLIHVSSWLRNHSQFQGYVGQRGGRSQVSYYPAENSYSRWSGLLSPCDADWLGMLVVKKAKGSDMIVPGPSYKGKVFFERPTFDGYVGWGCGSGKSRTESGELCSSDSGTSSGLLPSDRVLWIGDVACQPMTPIPEETFLELKSFSQSEFPDICKIDGIVFNQCESESLPQPFDVAWMDVGHSHKIIMREHKTKWVQECSSKCFVCYKEGTGPCSESEEKTCKTSGSCRGDMQFCKVAGCEHGEEASGAKCRCSLVHKPGEVVVSYGGMRVRPKCYGFSRMMATLEVNPPEQRIGQCTGCHLECINGGVRLITLTSELKSATVCASHFCSSATSGKKSTEIQFHSGSLVGKTAIHVKGALVDGTEFTFEGSCMFPDGCDAVDCTFCREFLKNPQCYPAKKWLFIIIVILLGYAGLMLLTNVLKAWGSWVIAPVKLMFAIIKKLMRSVSCLMGKLMDRGRQVIHEEIEGCDEMVHADSKLVSCKQGSGNMKECVTTGRALLPAVNPGQEACLHFTAPGSPDSKCLKIKVKRINLKCKKSSSYFVPDARSRCTSVRRCRWAGDCQSGCPSHFTSNSFSDDWAGKMDRAGLGFSGCSDGCGGAACGCFNAAPSCIFWRKWVENPHGIIWKVSPCAAWVPSAVIELTMPSGEVRTFHPMSGIPTQVFKGVSVTYLGSDMEVSGLTDLCEIEELKSKKLALAPCNQAGMGVVGKVGEIQCSSEESARTIKKDGCIWNADLVGIELRVDDAVCYSKITSVEAVANYSAIPTTIGGLRFERSHDSQGKISGSPLDITAIRGSFSVNYRGLRLSLSEVTATCTGEVTNVSGCCSCMTGAKVSIKLHSSKNSTAHVRCKGDETAFSVLEGVHSYTVSLSFDHAVVDEQCQLNCGGHESQVTLKGNLICLDVPKFVDGSYMQTYHSSVPTGANIPSPTDWLNALFGNGLSRWILGVIGVLLGGLALFFLIMSLFKLGTKQVFRSR; I: TGPIICAGPIHSNKSANIPHLLGYSEKICQIDRLIHVSSWLRNHSQFQGYVGQRGGRSQVSYYPAENSYSRWSGLLSPCDADWLGMLVVKKAKGSDMIVPGPSYKGKVFFERPTFDGYVGWGCGSGKSRTESGELCSSDSGTSSGLLPSDRVLWIGDVACQPMTPIPEETFLELKSFSQSEFPDICKIDGIVFNQCESESLPQPFDVAWMDVGHSHKIIMREHKTKWVQECSSKCFVCYKEGTGPCSESEEKTCKTSGSCRGDMQFCKVAGCEHGEEASGAKCRCSLVHKPGEVVVSYGGMRVRPKCYGFSRMMATLEVNPPEQRIGQCTGCHLECINGGVRLITLTSELKSATVCASHFCSSATSGKKSTEIQFHSGSLVGKTAIHVKGALVDGTEFTFEGSCMFPDGCDAVDCTFCREFLKNPQCYPAKKWLFIIIVILLGYAGLMLLTNVLWGSWVIAPVKLMFAIIKKLMRSVSCLMGKLMDRGRQVIHEEIEGCDEMVHADSKLVSCKQGSGNMKECVTTGRALLPAVNPGQEACLHFTAPGSPDSKCLKIKVKRINLKCKKSSSYFVPDARSRCTSVRRCRWAGDCQSGCPSHFTSNSFSDDWAGKMDRAGLGFSGCSDGCGGAACGCFNAAPSCIFWRKWVENPHGIIWKVSPCAAWVPSAVIELTMPSGEVRTFHPMSGIPTQVFKGVSVTYLGSDMEVSGLTDLCEIEELKSKKLALAPCNQAGMGVVGKVGEIQCSSEESARTIKKDGCIWNADLVGIELRVDDAVCYSKITSVEAVANYSAIPTTIGGLRFERSHDSQGKISGSPLDITAIRGSFSVNYRGLRLSLSEVTATCTGEVTNVSGCCSCMTGAKVSIKLHSSKNSTAHVRCKGDETAFSVLEGVHSYTVSLSFDHAVVDEQCQLNCGGHESQVTLKGNLICLDVPKFVDGSYMQTYHSSVPTGANIPSPTDWLNALFGNGLSRWILGVIGVLLGGLALFFLIMSLFKLGTKQVFRSR; K: TGPIICAGPIHSNKSANIPHLLGYSEKICQIDRLIHVSSWLRNHSQFQGYVGQRGGRSQVSYYPAENSYSRWSGLLSPCDADWLGMLVVKKAKGSDMIVPGPSYKGKVFFERPTFDGYVGWGCGSGKSRTESGELCSSDSGTSSGLLPSDRVLWIGDVACQPMTPIPEETFLELKSFSQSEFPDICKIDGIVFNQCESESLPQPFDVAWMDVGHSHKIIMREHKTKWVQECSSKCFVCYKEGTGPCSESEEKTCKTSGSCRGDMQFCKVAGCEHGEEASGAKCRCSLVHKPGEVVVSYGGMRVRPKCYGFSRMMATLEVNPPEQRIGQCTGCHLECINGGVRLITLTSELKSATVCASHFCSSATSGKKSTEIQFHSGSLVGKTAIHVKGALVDGTEFTFEGSCMFPDGCDAVDCTFCREFLKNPQCYPAKKWLFIIIVILLGYAGLMLLTNVLKAWGSWVIAPVKLMFAIIKKLMRSVSCLMGKLMDRGRQVIHEEIEGCDEMVHADSKLVSCKQGSGNMKECVTTGRALLPAVNPGQEACLHFTAPGSPDSKCLKIKVKRINLKCKKSSSYFVPDARSRCTSVRRCRWAGDCQSGCPSHFTSNSFSDDWAGKMDRAGLGFSGCSDGCGGAACGCFNAAPSCIFWRKWVENPHGIIWKVSPCAAWVPSAVIELTMPSGEVRTFHPMSGIPTQVFKGVSVTYLGSDMEVSGLTDLCEIEELKSKKLALAPCNQAGMGVVGKVGEIQCSSEESARTIKKDGCIWNADLVGIELRVDDAVCYSKITSVEAVANYSAIPTTIGGLRFERSHDSQGKISGSPLDITAIRGSFSVNYRGLRLSLSEVTATCTGEVTNVSGCCSCMTGAKVSIKLHSSKNSTAHVRCKGDETAFSVLEGVHSYTVSLSFDHAVVDEQCQLNCGGHESQVTLKGNLICLDVPKFVDGSYMQTYHSSVPTGANIPSPTDWLNALFGNGLSRWILGVIGVLLGGLALFFLIMSLFKLGTKQVFRSR
Selected Chain(s)	A,C,E,G,I,K
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:29)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (02:13:06)
[INFO]       Main:     Simulation completed successfully.                                          (02:22:18)

• Minimal score value: -3.6563
• Maximal score value: 3.9592
• Average score: -0.4547
• Total score value: -2742.9218

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
21	T	A	-0.8068
22	G	A	-0.6748
23	P	A	-0.1880
24	I	A	0.2215
25	I	A	0.2236
26	C	A	0.1591
27	A	A	-0.4960
28	G	A	0.0000
29	P	A	0.0000
30	I	A	0.1127
31	H	A	-0.9972
32	S	A	-0.9860
33	N	A	-2.2662
34	K	A	-2.5154
35	S	A	-1.9381
36	A	A	-1.5892
37	N	A	-1.4779
38	I	A	-0.3662
39	P	A	-0.5952
40	H	A	-0.5722
41	L	A	0.2432
42	L	A	0.9238
43	G	A	0.0000
44	Y	A	0.1161
45	S	A	0.0000
46	E	A	-0.0888
47	K	A	-0.0524
48	I	A	0.0000
49	C	A	0.0477
50	Q	A	0.0000
51	I	A	0.0000
52	D	A	0.0000
53	R	A	-0.7065
54	L	A	0.0000
55	I	A	-0.0120
56	H	A	0.0000
57	V	A	0.0000
58	S	A	0.0000
59	S	A	-1.1147
60	W	A	0.0000
61	L	A	0.0000
62	R	A	-2.8385
63	N	A	-2.5683
64	H	A	-2.0603
65	S	A	-1.8523
66	Q	A	-2.4940
67	F	A	0.0000
68	Q	A	-2.1629
69	G	A	-1.5382
70	Y	A	0.0000
71	V	A	0.0000
72	G	A	0.0000
73	Q	A	-1.1407
74	R	A	-1.8334
75	G	A	-1.6458
76	G	A	0.0000
77	R	A	-0.7768
78	S	A	-1.0681
79	Q	A	-1.9663
80	V	A	0.0000
81	S	A	-0.9305
82	Y	A	-0.3640
83	Y	A	0.0478
84	P	A	-0.4768
85	A	A	-0.5101
86	E	A	-1.2742
87	N	A	0.0000
88	S	A	0.0000
89	Y	A	0.0000
90	S	A	-0.9644
91	R	A	-1.2488
92	W	A	-0.6733
93	S	A	-0.4421
94	G	A	0.0000
95	L	A	0.0000
96	L	A	0.0000
97	S	A	-0.1062
98	P	A	0.0000
99	C	A	0.0000
100	D	A	0.0000
101	A	A	0.0000
102	D	A	0.3119
103	W	A	0.3150
104	L	A	0.4373
105	G	A	0.0990
106	M	A	0.3237
107	L	A	0.7124
108	V	A	1.3736
109	V	A	0.0000
110	K	A	-1.3404
111	K	A	-1.9573
112	A	A	-2.0074
113	K	A	-2.5350
114	G	A	-1.6217
115	S	A	-1.2653
116	D	A	0.0000
117	M	A	-0.6990
118	I	A	0.0000
119	V	A	0.0000
120	P	A	0.0000
121	G	A	-0.5247
122	P	A	0.0000
123	S	A	-0.9400
124	Y	A	0.0000
125	K	A	-2.1137
126	G	A	-1.7186
127	K	A	-1.4329
128	V	A	0.0000
129	F	A	0.0000
130	F	A	0.0000
131	E	A	0.0000
132	R	A	0.0000
133	P	A	0.0000
134	T	A	0.0000
135	F	A	0.0000
136	D	A	-1.3235
137	G	A	-0.6056
138	Y	A	0.0000
139	V	A	0.0000
140	G	A	0.0000
141	W	A	0.0000
142	G	A	-0.6329
143	C	A	0.0000
144	G	A	0.0000
145	S	A	-1.4272
146	G	A	-1.2046
147	K	A	-1.4063
148	S	A	0.0000
149	R	A	0.0000
150	T	A	-1.3235
151	E	A	-1.5645
152	S	A	-1.1208
153	G	A	0.0000
154	E	A	-0.6470
155	L	A	-0.1388
156	C	A	-0.4164
157	S	A	-0.7497
158	S	A	-1.0267
159	D	A	-1.2625
160	S	A	-1.0398
161	G	A	-0.9898
162	T	A	0.0000
163	S	A	-0.9779
164	S	A	-0.7382
165	G	A	0.0000
166	L	A	-0.3969
167	L	A	0.0000
168	P	A	-1.2660
169	S	A	0.0000
170	D	A	-2.3179
171	R	A	-1.6535
172	V	A	0.0000
173	L	A	0.0000
174	W	A	0.0000
175	I	A	0.0000
176	G	A	-0.2104
177	D	A	0.0000
178	V	A	0.0000
179	A	A	0.0000
180	C	A	0.0000
181	Q	A	0.0000
182	P	A	-0.2270
183	M	A	-0.1666
184	T	A	-0.1687
185	P	A	-0.5244
186	I	A	-1.0379
187	P	A	-1.3652
188	E	A	-2.4970
189	E	A	-2.4981
190	T	A	-1.8539
191	F	A	-1.0531
192	L	A	-0.2163
193	E	A	-1.4065
194	L	A	0.0000
195	K	A	-0.3926
196	S	A	-0.4391
197	F	A	-0.4079
198	S	A	0.0000
199	Q	A	-0.6176
200	S	A	-0.6045
201	E	A	0.0000
202	F	A	0.0000
203	P	A	-0.7448
204	D	A	-0.8512
205	I	A	0.0000
206	C	A	0.0000
207	K	A	-0.2494
208	I	A	0.0000
209	D	A	-0.5602
210	G	A	-0.2997
211	I	A	0.5840
212	V	A	1.3544
213	F	A	0.6306
214	N	A	-0.6208
215	Q	A	-1.5962
216	C	A	-1.8625
217	E	A	-2.8644
218	S	A	-1.9391
219	E	A	-1.7474
220	S	A	-0.5877
221	L	A	0.1747
222	P	A	-0.2203
223	Q	A	-0.2656
224	P	A	-0.4288
225	F	A	0.0000
226	D	A	-1.0953
227	V	A	0.0000
228	A	A	0.0000
229	W	A	0.0000
230	M	A	0.0000
231	D	A	0.0000
232	V	A	0.0000
233	G	A	-0.6830
234	H	A	-0.8895
235	S	A	-0.9579
236	H	A	-0.9724
237	K	A	0.0000
238	I	A	0.0000
239	I	A	0.0000
240	M	A	0.0000
241	R	A	0.0000
242	E	A	-0.4870
243	H	A	0.0000
244	K	A	-1.1385
245	T	A	0.0000
246	K	A	-0.8793
247	W	A	0.0000
248	V	A	-0.4712
249	Q	A	-1.2223
250	E	A	-1.8819
251	C	A	-1.0779
252	S	A	-0.8301
253	S	A	-0.5030
254	K	A	-0.5676
255	C	A	0.0000
256	F	A	0.0000
257	V	A	0.0000
258	C	A	0.0000
259	Y	A	-0.9247
260	K	A	-1.9531
261	E	A	-2.4699
262	G	A	-1.7547
263	T	A	-1.2374
264	G	A	-0.8733
265	P	A	-0.6584
266	C	A	0.0000
267	S	A	-0.7226
268	E	A	-1.4027
269	S	A	-1.3454
270	E	A	-1.7393
271	E	A	0.0000
272	K	A	-2.1971
273	T	A	-1.4473
274	C	A	0.0000
275	K	A	-1.0540
276	T	A	-0.8166
277	S	A	-0.6917
278	G	A	-0.8386
279	S	A	-1.1081
280	C	A	0.0000
281	R	A	-1.7024
282	G	A	-0.9684
283	D	A	-0.6074
284	M	A	-0.2962
285	Q	A	-0.8431
286	F	A	0.0000
287	C	A	-1.0547
288	K	A	-1.7250
289	V	A	-0.3189
290	A	A	-0.4311
291	G	A	-1.0141
292	C	A	-1.5320
293	E	A	-2.5887
294	H	A	-2.8297
295	G	A	-2.8253
296	E	A	-3.6563
297	E	A	-2.9265
298	A	A	-1.7007
299	S	A	-1.3755
300	G	A	-0.9698
301	A	A	-1.5961
302	K	A	-2.3425
303	C	A	0.0000
304	R	A	-1.3749
305	C	A	0.0000
306	S	A	-0.1895
307	L	A	-0.0566
308	V	A	-0.0348
309	H	A	-0.9165
310	K	A	0.0000
311	P	A	0.0000
312	G	A	0.0000
313	E	A	0.0000
314	V	A	0.0000
315	V	A	0.0000
316	V	A	0.0000
317	S	A	-1.3416
318	Y	A	0.0000
319	G	A	-1.0581
320	G	A	-1.2536
321	M	A	0.0000
322	R	A	-2.1208
323	V	A	0.0000
324	R	A	-0.8324
325	P	A	0.0000
326	K	A	-0.3896
327	C	A	0.0000
328	Y	A	0.0000
329	G	A	-0.0364
330	F	A	-0.2252
331	S	A	0.0000
332	R	A	-0.3615
333	M	A	0.0000
334	M	A	0.0000
335	A	A	0.0000
336	T	A	0.0000
337	L	A	-0.9083
338	E	A	-2.4194
339	V	A	-1.1401
340	N	A	-2.0162
341	P	A	-1.8574
342	P	A	-1.9500
343	E	A	-3.0693
344	Q	A	-2.5843
345	R	A	-2.2702
346	I	A	-0.2631
347	G	A	-0.6007
348	Q	A	-1.2806
349	C	A	0.1520
350	T	A	0.0742
351	G	A	0.3897
352	C	A	0.3354
353	H	A	-0.6935
354	L	A	-0.9927
355	E	A	-1.3870
356	C	A	-0.4394
357	I	A	-0.7679
358	N	A	-1.4082
359	G	A	-1.0618
360	G	A	0.0000
361	V	A	0.0000
362	R	A	-1.7283
363	L	A	0.0000
364	I	A	-0.7719
365	T	A	0.0000
366	L	A	0.8039
367	T	A	0.3362
368	S	A	-1.1263
369	E	A	-2.4840
370	L	A	0.0000
371	K	A	-2.6523
372	S	A	-1.5836
373	A	A	0.0000
374	T	A	-0.4181
375	V	A	0.0000
376	C	A	0.0000
377	A	A	0.0000
378	S	A	0.0000
379	H	A	-0.2098
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383	S	A	-0.4854
384	A	A	-0.8498
385	T	A	-1.6052
386	S	A	-1.8545
387	G	A	-2.3008
388	K	A	-3.0184
389	K	A	-2.0614
390	S	A	-1.5099
391	T	A	0.0000
392	E	A	-2.2746
393	I	A	0.0000
394	Q	A	-1.1806
395	F	A	0.0000
396	H	A	-0.4011
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403	K	A	-1.5889
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407	H	A	-1.1527
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409	K	A	-1.3107
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411	A	A	-1.5088
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413	V	A	-1.8370
414	D	A	-1.9037
415	G	A	-1.2123
416	T	A	-1.0004
417	E	A	-1.1578
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419	T	A	-0.8983
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421	E	A	-2.0655
422	G	A	-1.4040
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445	P	A	-0.5335
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451	K	A	-0.4424
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457	I	A	0.0000
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465	A	A	1.8195
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467	L	A	2.4691
468	M	A	0.0000
469	L	A	2.8389
470	L	A	3.2398
471	T	A	1.9513
472	N	A	1.6383
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475	K	A	0.1834
476	A	A	1.3531
477	I	A	2.1393
478	G	A	0.8777
481	G	A	1.1314
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489	K	A	-0.6783
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515	Q	A	-0.1900
516	V	A	0.6919
517	I	A	1.1213
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519	E	A	-1.2045
520	E	A	-0.8431
521	I	A	1.2519
561	E	A	-1.9265
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564	D	A	-1.2317
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568	H	A	-1.0019
569	A	A	-0.8740
570	D	A	-1.1797
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572	K	A	-1.2111
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577	K	A	-1.6926
578	Q	A	-2.2037
579	G	A	-1.8050
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586	C	A	-0.1972
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590	G	A	-1.2006
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592	A	A	0.0000
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595	P	A	-0.0651
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607	F	A	-0.5637
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614	D	A	-0.8765
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616	K	A	-1.1653
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619	K	A	-0.8178
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621	K	A	-0.7442
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623	K	A	-0.7641
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626	N	A	-0.2540
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639	D	A	-0.4532
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643	R	A	-0.1450
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648	R	A	-0.8129
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661	P	A	-0.6757
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700	N	A	-0.0960
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726	A	A	-1.0632
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735	E	A	-0.8685
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741	G	A	-1.0601
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744	R	A	-1.1299
745	T	A	-0.6918
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749	M	A	0.0307
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775	T	A	-1.0352
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783	L	A	-1.2785
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792	P	A	-1.2433
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800	V	A	1.1681
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840	V	A	1.2917
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893	N	A	-1.2463
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900	S	A	-0.7334
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903	E	A	-0.5007
904	V	A	0.8836
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906	A	A	-0.1756
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913	T	A	-1.8724
914	N	A	-2.3345
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916	S	A	-1.3406
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920	S	A	-0.7862
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932	H	A	-1.2777
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934	S	A	-1.3159
935	K	A	-1.8769
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937	S	A	-1.1495
938	T	A	-0.8937
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940	H	A	-1.1591
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942	R	A	-3.0602
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950	F	A	-0.3149
951	S	A	-0.2844
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953	L	A	-0.2405
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957	H	A	-0.1216
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959	Y	A	-0.4723
960	T	A	-0.7708
961	V	A	0.0000
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964	S	A	-1.1395
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971	D	A	-2.9510
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975	Q	A	-2.5258
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977	N	A	-2.3233
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979	G	A	-1.1363
980	G	A	-1.2836
981	H	A	-2.2771
982	E	A	-3.0661
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986	T	A	-1.9752
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988	K	A	-3.2284
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990	N	A	-2.0481
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993	C	A	-0.3524
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998	K	A	-0.3634
999	F	A	-0.1015
1000	V	A	-0.5108
1001	D	A	-1.6488
1002	G	A	-1.0457
1003	S	A	0.0000
1004	Y	A	0.1082
1005	M	A	0.0000
1006	Q	A	-0.3306
1007	T	A	0.0000
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1009	H	A	0.0000
1010	S	A	-0.2599
1011	S	A	-0.2758
1012	V	A	-0.0425
1013	P	A	-0.1211
1014	T	A	-0.3610
1015	G	A	-0.5007
1016	A	A	-0.2964
1017	N	A	-0.1313
1018	I	A	1.4978
1019	P	A	0.4515
1020	S	A	0.3106
1021	P	A	-0.3055
1022	T	A	-0.3070
1023	D	A	-0.3106
1024	W	A	-0.2164
1025	L	A	-0.2968
1026	N	A	-0.4577
1027	A	A	-0.1946
1028	L	A	0.1206
1029	F	A	0.3042
1030	G	A	-0.1993
1031	N	A	-0.8133
1032	G	A	-0.3608
1033	L	A	0.8248
1034	S	A	-0.0690
1035	R	A	-0.7422
1036	W	A	0.9046
1037	I	A	1.5958
1038	L	A	1.4498
1039	G	A	0.0000
1040	V	A	1.9604
1041	I	A	2.6510
1042	G	A	1.6342
1043	V	A	0.0000
1044	L	A	1.9980
1045	L	A	2.3135
1046	G	A	1.4941
1047	G	A	0.0000
1048	L	A	2.4415
1049	A	A	2.1426
1050	L	A	2.7410
1051	F	A	0.0000
1052	F	A	3.6276
1053	L	A	3.5926
1054	I	A	3.2273
1055	M	A	2.9398
1056	S	A	2.3241
1057	L	A	2.9822
1058	F	A	1.9297
1059	K	A	0.7204
1060	L	A	1.5912
1061	G	A	0.8354
1062	T	A	0.5172
1063	K	A	-0.7134
1064	Q	A	-0.9037
1065	V	A	0.6939
1066	F	A	0.0008
1067	R	A	-1.6479
1068	S	A	-1.5692
1069	R	A	-2.0299
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