Project name: pS-KP-663L

Chain sequence(s)	A: TGPIICAGPIHSNKSANIPHLLGYSEKICQIDRLIHVSSWLRNHSQFQGYVGQRGGRSQVSYYPAENSYSRWSGLLSPCDADWLGMLVVKKAKGSDMIVPGPSYKGKVFFERPTFDGYVGWGCGSGKSRTESGELCSSDSGTSSGLLPSDRVLWIGDVACQPMTPIPEETFLELKSFSQSEFPDICKIDGIVFNQCESESLPQPFDVAWMDVGHSHKIIMREHKTKWVQESSSKDFVCYKEGTGPCSESEEKTCKTSGSCRGDMQFCKVAGCEHGEEASGAKCRCSLVHKPGEVVVSYGGMRVRPKCYGFSRMMATLEVNPPEQRIGQCTGCHLECINGGVRLITLTSELKSATVCASHFCSSATSGKKSTEIQFHSGSLVGKTAIHVKGALVDGTEFTFEGSCMFPDGCDAVDCTFCREFLKNPQCYPAKKWLFIIIVILLGYAGLMLLTNVLKAIGGSWVIAPVKLMFAIIKKLMRSVSCLMGKLMDRGRQVIHEEIEGCDEMVHADSKLVSCKQGSGNMKECVTTGRALLPAVNPGQEACLHFTAPGSPDSKCLKIKVKRINLKCKKSSSYFVPDARSRCTSVRRCRWAGDCQSGCPSLFTSNSFSDDWAGKMDRAGLGFSGCSDGCGGAACGCFNAAPSCIFWRKWVENPHGIIWKVSPCAAWVPSAVIELTMPSGEVRTFHPMSGIPTQVFKGVSVTYLGSDMEVSGLTDLCEIEELKSKKLALAPCNQAGMGVVGKVGEIQCSSEESARTIKKDGCIWNADLVGIELRVDDAVCYSKITSVEAVANYSAIPTTIGGLRFERSHDSQGKISGSPLDITAIRGSFSVNYRGLRLSLSEVTATCTGEVTNVSGCYSCMTGAKVSIKLHSSKNSTAHVRCKGDETAFSVLEGVHSYTVSLSFDHAVVDEQCQLNCGGHESQVTLKGNLIFLDVPKFVDGSYMQTYHSSVPTGANIPSPTDWLNALFGNGLSRWILGVIGVLLGGLALFFLIMSLFKLGTKQVFRSR; C: TGPIICAGPIHSNKSANIPHLLGYSEKICQIDRLIHVSSWLRNHSQFQGYVGQRGGRSQVSYYPAENSYSRWSGLLSPCDADWLGMLVVKKAKGSDMIVPGPSYKGKVFFERPTFDGYVGWGCGSGKSRTESGELCSSDSGTSSGLLPSDRVLWIGDVACQPMTPIPEETFLELKSFSQSEFPDICKIDGIVFNQCESESLPQPFDVAWMDVGHSHKIIMREHKTKWVQESSSKDFVCYKEGTGPCSESEEKTCKTSGSCRGDMQFCKVAGCEHGEEASGAKCRCSLVHKPGEVVVSYGGMRVRPKCYGFSRMMATLEVNPPEQRIGQCTGCHLECINGGVRLITLTSELKSATVCASHFCSSATSGKKSTEIQFHSGSLVGKTAIHVKGALVDGTEFTFEGSCMFPDGCDAVDCTFCREFLKNPQCYPAKKWLFIIIVILLGYAGLMLLTNVWGSWVIAPVKLMFAIIKKLMRSVSCLMGKLMDRGRQVIHEEIEGCDEMVHADSKLVSCKQGSGNMKECVTTGRALLPAVNPGQEACLHFTAPGSPDSKCLKIKVKRINLKCKKSSSYFVPDARSRCTSVRRCRWAGDCQSGCPSLFTSNSFSDDWAGKMDRAGLGFSGCSDGCGGAACGCFNAAPSCIFWRKWVENPHGIIWKVSPCAAWVPSAVIELTMPSGEVRTFHPMSGIPTQVFKGVSVTYLGSDMEVSGLTDLCEIEELKSKKLALAPCNQAGMGVVGKVGEIQCSSEESARTIKKDGCIWNADLVGIELRVDDAVCYSKITSVEAVANYSAIPTTIGGLRFERSHDSQGKISGSPLDITAIRGSFSVNYRGLRLSLSEVTATCTGEVTNVSGCYSCMTGAKVSIKLHSSKNSTAHVRCKGDETAFSVLEGVHSYTVSLSFDHAVVDEQCQLNCGGHESQVTLKGNLIFLDVPKFVDGSYMQTYHSSVPTGANIPSPTDWLNALFRWILGVIGVLLGGLALFFLIMSLFKLGTKQVFRSR; E: TGPIICAGPIHSNKSANIPHLLGYSEKICQIDRLIHVSSWLRNHSQFQGYVGQRGGRSQVSYYPAENSYSRWSGLLSPCDADWLGMLVVKKAKGSDMIVPGPSYKGKVFFERPTFDGYVGWGCGSGKSRTESGELCSSDSGTSSGLLPSDRVLWIGDVACQPMTPIPEETFLELKSFSQSEFPDICKIDGIVFNQCESESLPQPFDVAWMDVGHSHKIIMREHKTKWVQESSSKDFVCYKEGTGPCSESEEKTCKTSGSCRGDMQFCKVAGCEHGEEASGAKCRCSLVHKPGEVVVSYGGMRVRPKCYGFSRMMATLEVNPPEQRIGQCTGCHLECINGGVRLITLTSELKSATVCASHFCSSATSGKKSTEIQFHSGSLVGKTAIHVKGALVDGTEFTFEGSCMFPDGCDAVDCTFCREFLKNPQCYPAKKWLFIIIVILLGYAGLMLLTNVLKAWGSWVIAPVKLMFAIIKKLMRSVSCLMGKLMDRGRQVIHEEIEGCDEMVHADSKLVSCKQGSGNMKECVTTGRALLPAVNPGQEACLHFTAPGSPDSKCLKIKVKRINLKCKKSSSYFVPDARSRCTSVRRCRWAGDCQSGCPSLFTSNSFSDDWAGKMDRAGLGFSGCSDGCGGAACGCFNAAPSCIFWRKWVENPHGIIWKVSPCAAWVPSAVIELTMPSGEVRTFHPMSGIPTQVFKGVSVTYLGSDMEVSGLTDLCEIEELKSKKLALAPCNQAGMGVVGKVGEIQCSSEESARTIKKDGCIWNADLVGIELRVDDAVCYSKITSVEAVANYSAIPTTIGGLRFERSHDSQGKISGSPLDITAIRGSFSVNYRGLRLSLSEVTATCTGEVTNVSGCYSCMTGAKVSIKLHSSKNSTAHVRCKGDETAFSVLEGVHSYTVSLSFDHAVVDEQCQLNCGGHESQVTLKGNLIFLDVPKFVDGSYMQTYHSSVPTGANIPSPTDWLNALFGNGLSRWILGVIGVLLGGLALFFLIMSLFKLGTKQVFRSR; G: TGPIICAGPIHSNKSANIPHLLGYSEKICQIDRLIHVSSWLRNHSQFQGYVGQRGGRSQVSYYPAENSYSRWSGLLSPCDADWLGMLVVKKAKGSDMIVPGPSYKGKVFFERPTFDGYVGWGCGSGKSRTESGELCSSDSGTSSGLLPSDRVLWIGDVACQPMTPIPEETFLELKSFSQSEFPDICKIDGIVFNQCESESLPQPFDVAWMDVGHSHKIIMREHKTKWVQESSSKDFVCYKEGTGPCSESEEKTCKTSGSCRGDMQFCKVAGCEHGEEASGAKCRCSLVHKPGEVVVSYGGMRVRPKCYGFSRMMATLEVNPPEQRIGQCTGCHLECINGGVRLITLTSELKSATVCASHFCSSATSGKKSTEIQFHSGSLVGKTAIHVKGALVDGTEFTFEGSCMFPDGCDAVDCTFCREFLKNPQCYPAKKWLFIIIVILLGYAGLMLLTNVLKAWGSWVIAPVKLMFAIIKKLMRSVSCLMGKLMDRGRQVIHEEIEGCDEMVHADSKLVSCKQGSGNMKECVTTGRALLPAVNPGQEACLHFTAPGSPDSKCLKIKVKRINLKCKKSSSYFVPDARSRCTSVRRCRWAGDCQSGCPSLFTSNSFSDDWAGKMDRAGLGFSGCSDGCGGAACGCFNAAPSCIFWRKWVENPHGIIWKVSPCAAWVPSAVIELTMPSGEVRTFHPMSGIPTQVFKGVSVTYLGSDMEVSGLTDLCEIEELKSKKLALAPCNQAGMGVVGKVGEIQCSSEESARTIKKDGCIWNADLVGIELRVDDAVCYSKITSVEAVANYSAIPTTIGGLRFERSHDSQGKISGSPLDITAIRGSFSVNYRGLRLSLSEVTATCTGEVTNVSGCYSCMTGAKVSIKLHSSKNSTAHVRCKGDETAFSVLEGVHSYTVSLSFDHAVVDEQCQLNCGGHESQVTLKGNLIFLDVPKFVDGSYMQTYHSSVPTGANIPSPTDWLNALFGNGLSRWILGVIGVLLGGLALFFLIMSLFKLGTKQVFRSR; I: TGPIICAGPIHSNKSANIPHLLGYSEKICQIDRLIHVSSWLRNHSQFQGYVGQRGGRSQVSYYPAENSYSRWSGLLSPCDADWLGMLVVKKAKGSDMIVPGPSYKGKVFFERPTFDGYVGWGCGSGKSRTESGELCSSDSGTSSGLLPSDRVLWIGDVACQPMTPIPEETFLELKSFSQSEFPDICKIDGIVFNQCESESLPQPFDVAWMDVGHSHKIIMREHKTKWVQESSSKDFVCYKEGTGPCSESEEKTCKTSGSCRGDMQFCKVAGCEHGEEASGAKCRCSLVHKPGEVVVSYGGMRVRPKCYGFSRMMATLEVNPPEQRIGQCTGCHLECINGGVRLITLTSELKSATVCASHFCSSATSGKKSTEIQFHSGSLVGKTAIHVKGALVDGTEFTFEGSCMFPDGCDAVDCTFCREFLKNPQCYPAKKWLFIIIVILLGYAGLMLLTNVLWGSWVIAPVKLMFAIIKKLMRSVSCLMGKLMDRGRQVIHEEIEGCDEMVHADSKLVSCKQGSGNMKECVTTGRALLPAVNPGQEACLHFTAPGSPDSKCLKIKVKRINLKCKKSSSYFVPDARSRCTSVRRCRWAGDCQSGCPSLFTSNSFSDDWAGKMDRAGLGFSGCSDGCGGAACGCFNAAPSCIFWRKWVENPHGIIWKVSPCAAWVPSAVIELTMPSGEVRTFHPMSGIPTQVFKGVSVTYLGSDMEVSGLTDLCEIEELKSKKLALAPCNQAGMGVVGKVGEIQCSSEESARTIKKDGCIWNADLVGIELRVDDAVCYSKITSVEAVANYSAIPTTIGGLRFERSHDSQGKISGSPLDITAIRGSFSVNYRGLRLSLSEVTATCTGEVTNVSGCYSCMTGAKVSIKLHSSKNSTAHVRCKGDETAFSVLEGVHSYTVSLSFDHAVVDEQCQLNCGGHESQVTLKGNLIFLDVPKFVDGSYMQTYHSSVPTGANIPSPTDWLNALFGNGLSRWILGVIGVLLGGLALFFLIMSLFKLGTKQVFRSR; K: TGPIICAGPIHSNKSANIPHLLGYSEKICQIDRLIHVSSWLRNHSQFQGYVGQRGGRSQVSYYPAENSYSRWSGLLSPCDADWLGMLVVKKAKGSDMIVPGPSYKGKVFFERPTFDGYVGWGCGSGKSRTESGELCSSDSGTSSGLLPSDRVLWIGDVACQPMTPIPEETFLELKSFSQSEFPDICKIDGIVFNQCESESLPQPFDVAWMDVGHSHKIIMREHKTKWVQESSSKDFVCYKEGTGPCSESEEKTCKTSGSCRGDMQFCKVAGCEHGEEASGAKCRCSLVHKPGEVVVSYGGMRVRPKCYGFSRMMATLEVNPPEQRIGQCTGCHLECINGGVRLITLTSELKSATVCASHFCSSATSGKKSTEIQFHSGSLVGKTAIHVKGALVDGTEFTFEGSCMFPDGCDAVDCTFCREFLKNPQCYPAKKWLFIIIVILLGYAGLMLLTNVLKAWGSWVIAPVKLMFAIIKKLMRSVSCLMGKLMDRGRQVIHEEIEGCDEMVHADSKLVSCKQGSGNMKECVTTGRALLPAVNPGQEACLHFTAPGSPDSKCLKIKVKRINLKCKKSSSYFVPDARSRCTSVRRCRWAGDCQSGCPSLFTSNSFSDDWAGKMDRAGLGFSGCSDGCGGAACGCFNAAPSCIFWRKWVENPHGIIWKVSPCAAWVPSAVIELTMPSGEVRTFHPMSGIPTQVFKGVSVTYLGSDMEVSGLTDLCEIEELKSKKLALAPCNQAGMGVVGKVGEIQCSSEESARTIKKDGCIWNADLVGIELRVDDAVCYSKITSVEAVANYSAIPTTIGGLRFERSHDSQGKISGSPLDITAIRGSFSVNYRGLRLSLSEVTATCTGEVTNVSGCYSCMTGAKVSIKLHSSKNSTAHVRCKGDETAFSVLEGVHSYTVSLSFDHAVVDEQCQLNCGGHESQVTLKGNLIFLDVPKFVDGSYMQTYHSSVPTGANIPSPTDWLNALFGNGLSRWILGVIGVLLGGLALFFLIMSLFKLGTKQVFRSR
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (03:02:14)
[INFO]       Main:     Simulation completed successfully.                                          (03:16:01)

• Minimal score value: -3.5166
• Maximal score value: 3.9603
• Average score: -0.4421
• Total score value: -2666.9102

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	-1.1020
22	G	A	-0.7919
23	P	A	-0.2571
24	I	A	0.3509
25	I	A	0.2794
26	C	A	0.0355
27	A	A	-0.4880
28	G	A	0.0000
29	P	A	-0.2376
30	I	A	0.1191
31	H	A	-0.9871
32	S	A	-0.9850
33	N	A	-2.2736
34	K	A	-2.5093
35	S	A	-1.9345
36	A	A	-1.6259
37	N	A	-1.4908
38	I	A	-0.3919
39	P	A	-0.5846
40	H	A	-0.6140
41	L	A	0.1966
42	L	A	0.9569
43	G	A	0.0000
44	Y	A	-0.0346
45	S	A	0.0000
46	E	A	-0.1718
47	K	A	-0.1544
48	I	A	0.0000
49	C	A	0.0000
50	Q	A	0.0000
51	I	A	0.0000
52	D	A	0.0000
53	R	A	-0.5459
54	L	A	0.0000
55	I	A	0.0000
56	H	A	-0.1984
57	V	A	0.0000
58	S	A	0.0000
59	S	A	-0.9736
60	W	A	0.0000
61	L	A	0.0000
62	R	A	-2.2506
63	N	A	-2.3230
64	H	A	-2.0212
65	S	A	-1.6850
66	Q	A	-2.3412
67	F	A	0.0000
68	Q	A	-2.0409
69	G	A	0.0000
70	Y	A	0.0000
71	V	A	0.0000
72	G	A	0.0000
73	Q	A	-1.0474
74	R	A	-1.7835
75	G	A	0.0000
76	G	A	0.0000
77	R	A	-0.8212
78	S	A	-1.1830
79	Q	A	-2.0508
80	V	A	0.0000
81	S	A	-0.6789
82	Y	A	-0.1142
83	Y	A	0.0812
84	P	A	-0.4612
85	A	A	-0.6091
86	E	A	-1.6467
87	N	A	-1.3479
88	S	A	-1.2245
89	Y	A	0.0000
90	S	A	-1.2415
91	R	A	-1.9525
92	W	A	-0.9702
93	S	A	-0.5957
94	G	A	0.0000
95	L	A	0.0000
96	L	A	0.0000
97	S	A	-0.1060
98	P	A	0.0000
99	C	A	0.0000
100	D	A	0.0000
101	A	A	0.0000
102	D	A	0.2032
103	W	A	0.1793
104	L	A	0.1556
105	G	A	0.0463
106	M	A	0.2433
107	L	A	0.0000
108	V	A	1.1791
109	V	A	0.0000
110	K	A	-1.9638
111	K	A	-2.4119
112	A	A	-2.0965
113	K	A	-2.7633
114	G	A	-1.9060
115	S	A	-1.5268
116	D	A	-1.2971
117	M	A	0.0000
118	I	A	0.0000
119	V	A	0.0000
120	P	A	-0.6038
121	G	A	-0.7718
122	P	A	-0.7248
123	S	A	-1.4295
124	Y	A	0.0000
125	K	A	-2.7477
126	G	A	-2.0140
127	K	A	-1.6833
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	-1.3887
137	G	A	-0.7352
138	Y	A	0.0000
139	V	A	0.0000
140	G	A	0.0000
141	W	A	0.0000
142	G	A	-0.6026
143	C	A	0.0000
144	G	A	-1.5405
145	S	A	-1.3893
146	G	A	-1.2186
147	K	A	-1.4973
148	S	A	0.0000
149	R	A	-1.6080
150	T	A	-1.8852
151	E	A	-2.7801
152	S	A	-1.5214
153	G	A	0.0000
154	E	A	-1.0937
155	L	A	-0.8354
156	C	A	-0.8555
157	S	A	-0.9028
158	S	A	-1.0301
159	D	A	-1.2509
160	S	A	-0.9781
161	G	A	-0.8576
162	T	A	0.0000
163	S	A	-0.9518
164	S	A	-0.7091
165	G	A	0.0000
166	L	A	-0.3382
167	L	A	0.0000
168	P	A	-1.3344
169	S	A	0.0000
170	D	A	-2.3327
171	R	A	-1.7151
172	V	A	0.0000
173	L	A	0.0000
174	W	A	0.0000
175	I	A	0.0000
176	G	A	-0.2374
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	-0.4197
183	M	A	-0.4160
184	T	A	-0.3872
185	P	A	-0.7688
186	I	A	0.0000
187	P	A	-1.5165
188	E	A	-2.7105
189	E	A	-2.7434
190	T	A	-1.7093
191	F	A	0.0000
192	L	A	-0.5673
193	E	A	-1.8060
194	L	A	0.0000
195	K	A	-0.5291
196	S	A	-0.3371
197	F	A	-0.0774
198	S	A	0.0000
199	Q	A	-0.3606
200	S	A	-0.6771
201	E	A	0.0000
202	F	A	0.0000
203	P	A	-1.2637
204	D	A	-2.1702
205	I	A	0.0000
206	C	A	0.0000
207	K	A	-0.5267
208	I	A	0.0000
209	D	A	-0.6030
210	G	A	-0.3926
211	I	A	0.4769
212	V	A	1.2816
213	F	A	0.0000
214	N	A	-0.8054
215	Q	A	-1.6650
216	C	A	-2.1300
217	E	A	-2.6271
218	S	A	-1.9258
219	E	A	-1.8734
220	S	A	-0.7367
221	L	A	-0.0799
222	P	A	-0.6815
223	Q	A	-0.5338
224	P	A	-0.6246
225	F	A	0.0000
226	D	A	-1.2440
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	-0.8670
234	H	A	-0.9629
235	S	A	-0.8382
236	H	A	-0.7131
237	K	A	-0.8160
238	I	A	0.0000
239	I	A	0.0000
240	M	A	0.0000
241	R	A	0.0000
242	E	A	-0.6058
243	H	A	-0.6932
244	K	A	-1.2454
245	T	A	0.0000
246	K	A	-1.0685
247	W	A	0.0000
248	V	A	-0.2906
249	Q	A	-1.0028
250	E	A	-1.8159
251	S	A	-1.4702
252	S	A	-1.5177
253	S	A	-1.4937
254	K	A	-1.9389
255	D	A	-1.4217
256	F	A	0.0000
257	V	A	0.0000
258	C	A	0.0000
259	Y	A	-0.8827
260	K	A	-1.8401
261	E	A	-2.4330
262	G	A	-1.4385
263	T	A	-1.1808
264	G	A	-0.7218
265	P	A	-0.6775
266	C	A	0.0000
267	S	A	-0.5970
268	E	A	-1.0818
269	S	A	-1.1579
270	E	A	-1.5471
271	E	A	0.0000
272	K	A	-1.9830
273	T	A	-1.2707
274	C	A	0.0000
275	K	A	-1.1681
276	T	A	-0.7893
277	S	A	-0.6464
278	G	A	-0.8780
279	S	A	-1.0599
280	C	A	0.0000
281	R	A	-1.4398
282	G	A	0.0000
283	D	A	-0.6855
284	M	A	-0.1510
285	Q	A	-0.5530
286	F	A	0.0000
287	C	A	-1.0534
288	K	A	-1.5826
289	V	A	-0.8280
290	A	A	-0.5816
291	G	A	-1.0779
292	C	A	-1.5167
293	E	A	-2.4995
294	H	A	-2.7409
295	G	A	-2.7911
296	E	A	-3.5166
297	E	A	-2.9156
298	A	A	-1.4838
299	S	A	-1.3522
300	G	A	-0.9128
301	A	A	-1.5195
302	K	A	-2.2422
303	C	A	0.0000
304	R	A	-1.4646
305	C	A	0.0000
306	S	A	-0.3504
307	L	A	-0.4155
308	V	A	0.0000
309	H	A	-0.4303
310	K	A	-0.6201
311	P	A	0.0000
312	G	A	0.0000
313	E	A	-0.7603
314	V	A	0.0000
315	V	A	-0.7176
316	V	A	0.0000
317	S	A	-1.3042
318	Y	A	0.0000
319	G	A	-1.1697
320	G	A	-1.0665
321	M	A	-1.2345
322	R	A	-2.0780
323	V	A	0.0000
324	R	A	-1.0396
325	P	A	0.0000
326	K	A	-0.5413
327	C	A	0.0000
328	Y	A	0.0000
329	G	A	-0.0561
330	F	A	-0.2735
331	S	A	0.0000
332	R	A	-0.6686
333	M	A	0.0000
334	M	A	0.0000
335	A	A	0.0000
336	T	A	0.0000
337	L	A	-1.0840
338	E	A	-2.4843
339	V	A	-1.3030
340	N	A	-1.9621
341	P	A	-1.8410
342	P	A	-2.5097
343	E	A	-3.2103
344	Q	A	-2.9421
345	R	A	-2.7366
346	I	A	-1.4839
347	G	A	-0.8271
348	Q	A	-1.0662
349	C	A	-0.0102
350	T	A	0.2578
351	G	A	0.2400
352	C	A	-0.0247
353	H	A	-0.8084
354	L	A	-0.9748
355	E	A	-0.9684
356	C	A	-0.1842
357	I	A	-0.5446
358	N	A	-1.0620
359	G	A	-1.0025
360	G	A	0.0000
361	V	A	0.0000
362	R	A	-1.4186
363	L	A	0.0000
364	I	A	-0.7754
365	T	A	0.0000
366	L	A	0.8508
367	T	A	0.3104
368	S	A	-1.0414
369	E	A	-2.4143
370	L	A	0.0000
371	K	A	-2.5984
372	S	A	0.0000
373	A	A	0.0000
374	T	A	0.0000
375	V	A	0.0000
376	C	A	0.0000
377	A	A	0.0000
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383	S	A	-0.2612
384	A	A	-0.6880
385	T	A	-1.4086
386	S	A	-1.7132
387	G	A	-2.0879
388	K	A	-2.9601
389	K	A	-2.0529
390	S	A	-1.5040
391	T	A	0.0000
392	E	A	-1.7127
393	I	A	0.0000
394	Q	A	-0.8181
395	F	A	0.0000
396	H	A	0.0000
397	S	A	-0.5233
398	G	A	-0.4733
399	S	A	0.0000
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401	V	A	-0.5668
402	G	A	0.0000
403	K	A	-1.5308
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405	A	A	-0.9806
406	I	A	0.0000
407	H	A	-1.0326
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409	K	A	-0.8654
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411	A	A	0.0000
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413	V	A	-1.6335
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415	G	A	-1.7376
416	T	A	-0.9335
417	E	A	-0.8823
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419	T	A	-0.6822
420	F	A	-0.8395
421	E	A	-2.0000
422	G	A	-1.3707
423	S	A	-0.8193
424	C	A	0.0000
425	M	A	0.2869
426	F	A	-0.1545
427	P	A	-0.7593
428	D	A	-1.1766
429	G	A	-0.7777
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431	D	A	-0.8946
432	A	A	-0.7257
433	V	A	-1.1869
434	D	A	-1.7234
435	C	A	-0.6735
436	T	A	-0.8841
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439	R	A	-2.9672
440	E	A	-2.3859
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444	N	A	-0.5967
445	P	A	-0.5834
446	Q	A	-0.3014
447	C	A	0.7434
448	Y	A	1.3266
449	P	A	0.0443
450	A	A	-0.3885
451	K	A	-0.9069
452	K	A	0.1313
453	W	A	1.3804
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455	F	A	2.1560
456	I	A	2.3386
457	I	A	0.0000
458	I	A	3.1679
459	V	A	3.1995
460	I	A	2.6305
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462	L	A	2.5905
463	G	A	1.7306
464	Y	A	2.0221
465	A	A	1.9701
466	G	A	1.9038
467	L	A	2.9006
468	M	A	2.4879
469	L	A	3.0404
470	L	A	3.3194
471	T	A	1.8871
472	N	A	1.3618
473	V	A	2.9821
474	L	A	2.2089
475	K	A	0.0893
476	A	A	1.0609
477	I	A	2.0045
478	G	A	0.9084
481	G	A	0.9395
482	S	A	1.0367
483	W	A	1.7338
484	V	A	1.0321
485	I	A	1.6356
486	A	A	1.1592
487	P	A	0.0000
488	V	A	0.9374
489	K	A	0.1133
490	L	A	1.3549
491	M	A	1.5122
492	F	A	1.7788
493	A	A	0.8214
494	I	A	1.1046
495	I	A	1.1243
496	K	A	-0.5473
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500	R	A	-1.1437
501	S	A	0.2009
502	V	A	1.4640
503	S	A	0.6472
504	C	A	1.0957
505	L	A	1.6140
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508	K	A	-0.4791
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510	M	A	0.0720
511	D	A	-0.7266
512	R	A	-1.4477
513	G	A	-0.2997
514	R	A	-0.4170
515	Q	A	-0.0856
516	V	A	0.7940
517	I	A	1.1475
518	H	A	0.2331
519	E	A	-1.1827
520	E	A	-0.8400
521	I	A	1.2326
561	E	A	-1.9566
562	G	A	-1.2446
563	C	A	0.0000
564	D	A	-1.0680
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566	M	A	-0.2549
567	V	A	-0.2191
568	H	A	-1.0963
569	A	A	-0.8948
570	D	A	-1.3698
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572	K	A	-1.8798
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575	S	A	-0.4471
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577	K	A	-1.9867
578	Q	A	-2.4734
579	G	A	-2.1652
580	S	A	-1.7061
581	G	A	-1.8571
582	N	A	-1.7970
583	M	A	-0.8474
584	K	A	-2.3215
585	E	A	-1.5172
586	C	A	-0.6185
587	V	A	0.0000
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591	R	A	-2.0955
592	A	A	0.0000
593	L	A	0.3960
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595	P	A	0.0073
596	A	A	-0.0839
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600	G	A	-0.7046
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606	H	A	-0.8331
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608	T	A	-1.4850
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611	G	A	-1.7163
612	S	A	-1.6399
613	P	A	-1.3512
614	D	A	-2.1178
615	S	A	-1.3861
616	K	A	-1.2169
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619	K	A	-0.7242
620	I	A	0.0000
621	K	A	-0.9873
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623	K	A	-0.5041
624	R	A	0.0000
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630	K	A	-1.2183
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632	S	A	-1.5842
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634	S	A	-0.8858
635	Y	A	0.0000
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639	D	A	-0.4095
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643	R	A	-0.2515
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648	R	A	-0.6957
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653	A	A	-1.1304
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655	D	A	-2.3417
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657	Q	A	-2.0231
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661	P	A	0.6292
662	S	A	0.8748
663	L	A	1.8212
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665	T	A	0.5852
666	S	A	-0.3699
667	N	A	-1.0260
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675	G	A	-1.1043
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700	N	A	0.0731
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709	R	A	-0.3184
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714	N	A	-0.7136
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718	I	A	-0.5644
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721	K	A	-1.1831
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723	S	A	-1.0479
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726	A	A	-0.7489
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732	A	A	0.0000
733	V	A	-0.2629
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735	E	A	-0.8439
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737	T	A	-0.7970
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739	P	A	-0.7390
740	S	A	-1.0200
741	G	A	-1.0764
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744	R	A	-1.1347
745	T	A	-0.6057
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747	H	A	-0.5017
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750	S	A	0.1009
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753	P	A	0.0074
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765	L	A	-0.0450
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767	S	A	-1.1378
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769	M	A	-1.4485
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771	V	A	-0.3277
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773	G	A	-0.6639
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775	T	A	-0.7916
776	D	A	-1.5291
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781	E	A	-1.3889
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783	L	A	-1.1694
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792	P	A	-0.9439
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794	N	A	-0.4908
795	Q	A	-1.0054
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798	M	A	0.8943
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800	V	A	1.3994
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803	K	A	0.0358
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812	E	A	-2.5425
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816	R	A	-2.3853
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819	K	A	-2.2732
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831	G	A	-0.5804
832	I	A	-0.0168
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840	V	A	0.4760
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842	Y	A	-0.0285
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844	K	A	-0.8592
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846	T	A	0.0000
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850	A	A	-0.5466
851	V	A	0.0000
852	A	A	-0.6474
853	N	A	-1.3931
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856	A	A	-0.1039
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871	D	A	-1.2125
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880	P	A	-0.2429
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883	I	A	-0.2715
884	T	A	0.0294
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891	S	A	-0.1011
892	V	A	0.0000
893	N	A	-1.5687
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895	R	A	-1.5267
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898	R	A	-0.1606
899	L	A	0.0000
900	S	A	-0.7718
901	L	A	-0.6430
902	S	A	-0.2273
903	E	A	-0.6771
904	V	A	1.2786
905	T	A	0.1313
906	A	A	-0.1312
907	T	A	-0.6113
908	C	A	-1.0580
909	T	A	-1.0931
910	G	A	-1.4901
911	E	A	-2.1527
912	V	A	0.0000
913	T	A	-1.9659
914	N	A	-2.6277
915	V	A	0.0000
916	S	A	-1.4879
917	G	A	-1.0148
918	C	A	0.0000
919	Y	A	-0.5040
920	S	A	-0.5126
921	C	A	0.1002
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923	T	A	-0.0662
924	G	A	-0.2570
925	A	A	0.0000
926	K	A	-1.1694
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930	K	A	-1.4674
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932	H	A	-0.8836
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934	S	A	-1.0560
935	K	A	-1.6492
936	N	A	-1.8322
937	S	A	-0.8326
938	T	A	-0.7718
939	A	A	-0.3591
940	H	A	-0.9487
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942	R	A	-2.6936
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944	K	A	-3.0655
945	G	A	-2.2935
946	D	A	-2.0776
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949	A	A	-0.7973
950	F	A	-0.3962
951	S	A	-0.3230
952	V	A	0.0000
953	L	A	-0.0107
954	E	A	-1.7297
955	G	A	-0.4512
956	V	A	0.8221
957	H	A	0.0134
958	S	A	-0.3703
959	Y	A	-0.4562
960	T	A	-0.8673
961	V	A	0.0000
962	S	A	-0.9400
963	L	A	0.0000
964	S	A	-1.1853
965	F	A	0.0000
966	D	A	-2.1853
967	H	A	-1.4562
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969	V	A	-0.9386
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971	D	A	-3.0319
972	E	A	-2.3467
973	Q	A	-2.6419
974	C	A	0.0000
975	Q	A	-2.2535
976	L	A	0.0000
977	N	A	-2.0532
978	C	A	0.0000
979	G	A	-1.0818
980	G	A	-1.0814
981	H	A	-2.0624
982	E	A	-2.7329
983	S	A	-1.9556
984	Q	A	-2.0444
985	V	A	-1.3946
986	T	A	-1.9328
987	L	A	0.0000
988	K	A	-3.2219
989	G	A	-2.2971
990	N	A	-1.8460
991	L	A	0.0000
992	I	A	-0.4267
993	F	A	0.0000
994	L	A	0.0000
995	D	A	0.0000
996	V	A	0.4685
997	P	A	-0.2010
998	K	A	-0.7701
999	F	A	-0.2701
1000	V	A	-0.4367
1001	D	A	-1.5051
1002	G	A	-1.1555
1003	S	A	0.0000
1004	Y	A	0.3711
1005	M	A	0.0000
1006	Q	A	0.0000
1007	T	A	0.0000
1008	Y	A	0.0000
1009	H	A	0.0000
1010	S	A	0.0000
1011	S	A	0.0058
1012	V	A	0.0820
1013	P	A	-0.0336
1014	T	A	-0.0667
1015	G	A	-0.3962
1016	A	A	0.0784
1017	N	A	-0.1702
1018	I	A	1.2825
1019	P	A	-0.0877
1020	S	A	0.0000
1021	P	A	-0.0049
1022	T	A	-0.0991
1023	D	A	0.0000
1024	W	A	-0.3905
1025	L	A	0.0000
1026	N	A	-0.0284
1027	A	A	-0.1265
1028	L	A	-0.3774
1029	F	A	0.3657
1030	G	A	-0.1133
1031	N	A	-0.1213
1032	G	A	-0.1018
1033	L	A	0.9775
1034	S	A	-0.0326
1035	R	A	-0.6829
1036	W	A	0.8735
1037	I	A	1.2608
1038	L	A	1.1224
1039	G	A	0.6311
1040	V	A	1.3742
1041	I	A	1.9231
1042	G	A	1.1002
1043	V	A	0.0000
1044	L	A	2.2106
1045	L	A	2.2644
1046	G	A	1.2662
1047	G	A	0.0000
1048	L	A	2.6693
1049	A	A	2.0080
1050	L	A	2.4139
1051	F	A	0.0000
1052	F	A	3.4158
1053	L	A	3.2030
1054	I	A	2.8241
1055	M	A	2.5037
1056	S	A	2.2187
1057	L	A	2.8569
1058	F	A	2.1976
1059	K	A	-0.0409
1060	L	A	1.3318
1061	G	A	0.7621
1062	T	A	0.1418
1063	K	A	-1.1939
1064	Q	A	-1.1565
1065	V	A	0.7396
1066	F	A	0.5476
1067	R	A	-1.9588
1068	S	A	-1.7028
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