Project name: has2

Chain sequence(s)	A: MARAVGPERRLLAVYTGGTIGMRSELGVLVPGTGLAAILRTLPMFHDEEHARARGLSEDTLVLPPASRNQRILYTVLECQPLFDSSDMTIAEWVCLAQTIKRHYEQYHGFVVIHGTDTMAFAASMLSFMLENLQKTVILTGAQVPIHALWSDGRENLLGALLMAGQYVIPEVCLFFQNQLFRGNRATKVDARRFAAFCSPNLLPLATVGADITINRELVRKVDGKAGLVVHSSMEQDVGLLRLYPGIPAALVRAFLQPPLKGVVMETFGSGNGPTKPDLLQELRVATERGLVIVNCTHCLQGAVTTDYAAGMAMAGAGVISGFDMTSEAALAKLSYVLGQPGLSLDVRKELLTKDLRGEMTPPSVEERR; C: MARAVGPERRLLAVYTGGTIGMRSELGVLVPGTGLAAILRTLPMFHDEEHARARGLSEDTLVLPPASRNQRILYTVLECQPLFDSSDMTIAEWVCLAQTIKRHYEQYHGFVVIHGTDTMAFAASMLSFMLENLQKTVILTGAQVPIHALWSDGRENLLGALLMAGQYVIPEVCLFFQNQLFRGNRATKVDARRFAAFCSPNLLPLATVGADITINRELVRKVDGKAGLVVHSSMEQDVGLLRLYPGIPAALVRAFLQPPLKGVVMETFGSGNGPTKPDLLQELRVATERGLVIVNCTHCLQGAVTTDYAAGMAMAGAGVISGFDMTSEAALAKLSYVLGQPGLSLDVRKELLTKDLRGEMTPPSVEERR; B: MARAVGPERRLLAVYTGGTIGMRSELGVLVPGTGLAAILRTLPMFHDEEHARARGLSEDTLVLPPASRNQRILYTVLECQPLFDSSDMTIAEWVCLAQTIKRHYEQYHGFVVIHGTDTMAFAASMLSFMLENLQKTVILTGAQVPIHALWSDGRENLLGALLMAGQYVIPEVCLFFQNQLFRGNRATKVDARRFAAFCSPNLLPLATVGADITINRELVRKVDGKAGLVVHSSMEQDVGLLRLYPGIPAALVRAFLQPPLKGVVMETFGSGNGPTKPDLLQELRVATERGLVIVNCTHCLQGAVTTDYAAGMAMAGAGVISGFDMTSEAALAKLSYVLGQPGLSLDVRKELLTKDLRGEMTPPSVEERR; D: MARAVGPERRLLAVYTGGTIGMRSELGVLVPGTGLAAILRTLPMFHDEEHARARGLSEDTLVLPPASRNQRILYTVLECQPLFDSSDMTIAEWVCLAQTIKRHYEQYHGFVVIHGTDTMAFAASMLSFMLENLQKTVILTGAQVPIHALWSDGRENLLGALLMAGQYVIPEVCLFFQNQLFRGNRATKVDARRFAAFCSPNLLPLATVGADITINRELVRKVDGKAGLVVHSSMEQDVGLLRLYPGIPAALVRAFLQPPLKGVVMETFGSGNGPTKPDLLQELRVATERGLVIVNCTHCLQGAVTTDYAAGMAMAGAGVISGFDMTSEAALAKLSYVLGQPGLSLDVRKELLTKDLRGEMTPPSVEERR
Selected Chain(s)	A,C,B,D
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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:14:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:14:26)

• Minimal score value: -3.9535
• Maximal score value: 2.2874
• Average score: -0.4718
• Total score value: -694.444

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
1	M	A	0.3331
2	A	A	0.0000
3	R	A	-1.6483
4	A	A	-0.7044
5	V	A	0.7302
6	G	A	-0.2054
7	P	A	-0.6641
8	E	A	0.0000
9	R	A	-0.7736
10	R	A	-1.0321
11	L	A	0.0000
12	L	A	0.0000
13	A	A	0.0000
14	V	A	0.0000
15	Y	A	0.0000
16	T	A	0.0000
17	G	A	0.0706
18	G	A	0.0000
19	T	A	-0.1300
20	I	A	0.0000
21	G	A	0.0000
22	M	A	0.0000
23	R	A	0.0380
24	S	A	0.5439
25	E	A	0.3019
26	L	A	0.0000
27	G	A	0.3090
28	V	A	1.4369
29	L	A	2.2874
30	V	A	2.1655
31	P	A	0.8232
32	G	A	0.0000
33	T	A	0.1745
34	G	A	0.0451
35	L	A	0.0000
36	A	A	-0.5446
37	A	A	-0.1680
38	I	A	-0.0357
39	L	A	0.0000
40	R	A	-1.2014
41	T	A	-0.5740
42	L	A	0.5489
43	P	A	-0.0957
44	M	A	-0.3022
45	F	A	-0.0316
46	H	A	-1.0564
47	D	A	-2.2228
48	E	A	-3.8513
49	E	A	-3.8597
50	H	A	-2.9850
51	A	A	0.0000
52	R	A	-3.8013
53	A	A	-2.7744
54	R	A	-2.6362
55	G	A	-1.7393
56	L	A	-0.6148
57	S	A	-0.2460
58	E	A	-0.7600
59	D	A	-1.7555
60	T	A	-1.3593
61	L	A	0.0000
62	V	A	0.0000
63	L	A	0.0000
64	P	A	-1.3802
65	P	A	-0.9652
66	A	A	0.0000
67	S	A	0.0000
68	R	A	-2.0728
69	N	A	-2.0027
70	Q	A	-1.2241
71	R	A	-1.4454
72	I	A	0.0000
73	L	A	0.0000
74	Y	A	0.0000
75	T	A	0.0000
76	V	A	-0.4170
77	L	A	-0.3909
78	E	A	-0.6089
79	C	A	0.0000
80	Q	A	-0.9905
81	P	A	-0.3672
82	L	A	0.7653
83	F	A	0.0000
84	D	A	-0.7171
85	S	A	0.0000
86	S	A	0.0000
87	D	A	-1.3389
88	M	A	0.0000
89	T	A	-0.2571
90	I	A	0.0892
91	A	A	0.0343
92	E	A	-0.3796
93	W	A	0.0000
94	V	A	-0.0497
95	C	A	-0.1820
96	L	A	0.0000
97	A	A	0.0000
98	Q	A	-1.7044
99	T	A	-1.4717
100	I	A	0.0000
101	K	A	-2.6034
102	R	A	-3.0856
103	H	A	-2.3143
104	Y	A	0.0000
105	E	A	-2.8636
106	Q	A	-2.1791
107	Y	A	0.0000
108	H	A	-0.8999
109	G	A	0.0000
110	F	A	0.0000
111	V	A	0.0000
112	V	A	0.0000
113	I	A	0.0000
114	H	A	0.0000
115	G	A	0.0000
116	T	A	-0.0523
117	D	A	0.0000
118	T	A	0.0000
119	M	A	0.0000
120	A	A	0.0000
121	F	A	0.0000
122	A	A	0.0000
123	A	A	0.0000
124	S	A	0.0000
125	M	A	0.0000
126	L	A	0.0000
127	S	A	0.0000
128	F	A	0.0000
129	M	A	0.0000
130	L	A	0.0000
131	E	A	-1.0546
132	N	A	-1.8737
133	L	A	0.0000
134	Q	A	-2.2657
135	K	A	-1.0198
136	T	A	0.0000
137	V	A	0.0000
138	I	A	0.0000
139	L	A	0.0000
140	T	A	0.0000
141	G	A	0.0000
142	A	A	0.0000
143	Q	A	-0.1782
144	V	A	0.0000
145	P	A	0.0000
146	I	A	0.0000
147	H	A	-0.0394
148	A	A	0.0000
149	L	A	0.0104
150	W	A	0.0028
151	S	A	-0.2083
152	D	A	0.0000
153	G	A	0.0000
154	R	A	-0.5764
155	E	A	-0.6300
156	N	A	0.0000
157	L	A	0.0000
158	L	A	-0.0638
159	G	A	0.0000
160	A	A	0.0000
161	L	A	0.0000
162	L	A	0.0000
163	M	A	0.0000
164	A	A	0.0000
165	G	A	0.0000
166	Q	A	0.0000
167	Y	A	0.0000
168	V	A	-0.1403
169	I	A	0.0000
170	P	A	-1.4270
171	E	A	-1.0859
172	V	A	0.0000
173	C	A	0.0000
174	L	A	0.0000
175	F	A	0.0000
176	F	A	0.0000
177	Q	A	-0.5299
178	N	A	-0.4996
179	Q	A	-0.2778
180	L	A	0.0000
181	F	A	0.0000
182	R	A	0.0000
183	G	A	0.0000
184	N	A	0.0000
185	R	A	0.0000
186	A	A	0.0000
187	T	A	-0.1648
188	K	A	-0.2070
189	V	A	0.1284
190	D	A	0.0000
191	A	A	0.0000
192	R	A	-0.4594
193	R	A	-0.7186
194	F	A	-0.1020
195	A	A	0.0000
196	A	A	0.0000
197	F	A	0.0000
198	C	A	-0.0556
199	S	A	-0.1368
200	P	A	-0.3054
201	N	A	-0.7791
202	L	A	0.1580
203	L	A	0.0000
204	P	A	-0.4737
205	L	A	0.1550
206	A	A	0.0000
207	T	A	-0.0686
208	V	A	0.0000
209	G	A	0.0000
210	A	A	-0.2150
211	D	A	-0.5060
212	I	A	0.0000
213	T	A	-0.1810
214	I	A	-0.5689
215	N	A	-1.5557
216	R	A	-3.2899
217	E	A	-3.0604
218	L	A	0.0000
219	V	A	0.0000
220	R	A	-3.4143
221	K	A	-2.8836
222	V	A	-2.3169
223	D	A	-2.8968
224	G	A	-2.1922
225	K	A	-2.6347
226	A	A	-1.4529
227	G	A	-1.0349
228	L	A	0.0000
229	V	A	0.0262
230	V	A	-0.1312
231	H	A	-0.1194
232	S	A	-0.1772
233	S	A	-0.4258
234	M	A	0.0000
235	E	A	-0.6651
236	Q	A	-0.5773
237	D	A	-0.8055
238	V	A	0.0000
239	G	A	0.0000
240	L	A	0.0000
241	L	A	0.0000
242	R	A	-0.2106
243	L	A	0.0000
244	Y	A	0.0000
245	P	A	0.0000
246	G	A	-0.7661
247	I	A	0.0000
248	P	A	-0.7182
249	A	A	-0.8642
250	A	A	-0.9470
251	L	A	0.0000
252	V	A	0.0000
253	R	A	-2.4237
254	A	A	0.0000
255	F	A	0.0000
256	L	A	0.0000
257	Q	A	-1.7663
258	P	A	-1.2035
259	P	A	-0.8181
260	L	A	-0.8642
261	K	A	-1.2832
262	G	A	0.0000
263	V	A	0.0000
264	V	A	0.0000
265	M	A	0.0000
266	E	A	0.0000
267	T	A	0.0000
268	F	A	-0.0080
269	G	A	0.0000
270	S	A	0.0000
271	G	A	0.0000
272	N	A	-0.1629
273	G	A	0.0000
274	P	A	0.0000
275	T	A	-0.7804
276	K	A	-1.3986
277	P	A	-1.8095
278	D	A	-2.8832
279	L	A	0.0000
280	L	A	-1.8377
281	Q	A	-2.7643
282	E	A	-2.6616
283	L	A	0.0000
284	R	A	-2.7200
285	V	A	-1.3957
286	A	A	0.0000
287	T	A	-1.8520
288	E	A	-2.8403
289	R	A	-2.8007
290	G	A	-2.1485
291	L	A	-1.1039
292	V	A	0.0000
293	I	A	0.0000
294	V	A	0.0000
295	N	A	0.0000
296	C	A	0.0000
297	T	A	0.0000
298	H	A	-0.1987
299	C	A	0.0000
300	L	A	-0.0539
301	Q	A	-0.0951
302	G	A	-0.0620
303	A	A	0.0000
304	V	A	0.4066
305	T	A	-0.2362
306	T	A	-0.6232
307	D	A	-0.7025
308	Y	A	0.4531
309	A	A	0.6978
310	A	A	0.1643
311	G	A	0.0000
312	M	A	0.6751
313	A	A	0.3275
314	M	A	0.0000
315	A	A	0.0000
316	G	A	-0.0591
317	A	A	-0.1781
318	G	A	0.0000
319	V	A	0.0000
320	I	A	0.0000
321	S	A	-0.3162
322	G	A	0.0000
323	F	A	0.1843
324	D	A	0.0000
325	M	A	0.0000
326	T	A	0.0000
327	S	A	0.0000
328	E	A	-0.3815
329	A	A	0.0000
330	A	A	0.0000
331	L	A	0.0000
332	A	A	0.0000
333	K	A	0.0000
334	L	A	0.0000
335	S	A	0.0000
336	Y	A	0.0000
337	V	A	0.0000
338	L	A	-0.4300
339	G	A	-0.5367
340	Q	A	-0.6034
341	P	A	-0.5967
342	G	A	-0.5684
343	L	A	-0.1264
344	S	A	-0.4353
345	L	A	-1.3770
346	D	A	-1.8759
347	V	A	-0.4738
348	R	A	-1.1152
349	K	A	-2.0749
350	E	A	-2.6370
351	L	A	-1.5010
352	L	A	0.0000
353	T	A	-1.5635
354	K	A	-2.4529
355	D	A	-1.7371
356	L	A	-0.5237
357	R	A	-0.6108
358	G	A	-0.4954
359	E	A	0.0000
360	M	A	-0.3419
361	T	A	-0.3208
362	P	A	-0.2598
363	P	A	-0.1650
364	S	A	-0.0450
365	V	A	0.2384
366	E	A	-0.4629
367	E	A	-0.8472
368	R	A	-1.4543
1	M	B	0.3705
2	A	B	-0.0557
3	R	B	-1.1367
4	A	B	0.0000
5	V	B	-0.5470
6	G	B	-1.2751
7	P	B	-1.3939
8	E	B	-2.5055
9	R	B	-2.0268
10	R	B	-1.8459
11	L	B	0.0000
12	L	B	0.0000
13	A	B	0.0000
14	V	B	0.0000
15	Y	B	0.0000
16	T	B	0.0000
17	G	B	0.0000
18	G	B	-0.2181
19	T	B	0.0000
20	I	B	0.0000
21	G	B	0.0919
22	M	B	0.5008
23	R	B	0.0000
24	S	B	0.0000
25	E	B	-0.1127
26	L	B	-0.1197
27	G	B	-0.1307
28	V	B	1.4394
29	L	B	1.3375
30	V	B	1.0462
31	P	B	0.2102
32	G	B	0.3011
33	T	B	0.2566
34	G	B	0.3752
35	L	B	0.0000
36	A	B	0.5078
37	A	B	1.0697
38	I	B	2.1053
39	L	B	0.0000
40	R	B	0.0915
41	T	B	-0.2156
42	L	B	0.0000
43	P	B	-0.2884
44	M	B	-0.0016
45	F	B	0.0000
46	H	B	-1.2670
47	D	B	0.0000
48	E	B	-2.8701
49	E	B	-2.4780
50	H	B	-1.8688
51	A	B	-2.3193
52	R	B	-2.9285
53	A	B	-1.4256
54	R	B	-1.6465
55	G	B	0.0000
56	L	B	0.4632
57	S	B	-0.7830
58	E	B	-2.0982
59	D	B	-1.7090
60	T	B	-1.1131
61	L	B	0.0000
62	V	B	0.0000
63	L	B	0.0000
64	P	B	0.0000
65	P	B	0.0000
66	A	B	-0.4166
67	S	B	-0.7082
68	R	B	-1.4876
69	N	B	0.0000
70	Q	B	-1.5485
71	R	B	-1.4893
72	I	B	0.0000
73	L	B	-0.9629
74	Y	B	0.0000
75	T	B	0.0000
76	V	B	0.0399
77	L	B	-0.0325
78	E	B	-0.1233
79	C	B	0.0000
80	Q	B	-1.0574
81	P	B	-0.5766
82	L	B	0.2884
83	F	B	0.0000
84	D	B	-1.2401
85	S	B	-0.5892
86	S	B	0.0000
87	D	B	-0.9152
88	M	B	0.0000
89	T	B	-0.5067
90	I	B	0.0000
91	A	B	-0.2319
92	E	B	-0.3887
93	W	B	0.0000
94	V	B	0.0482
95	C	B	-0.3748
96	L	B	0.0000
97	A	B	0.0000
98	Q	B	-1.4310
99	T	B	0.0000
100	I	B	0.0000
101	K	B	-1.9894
102	R	B	-2.8798
103	H	B	-2.2378
104	Y	B	0.0000
105	E	B	-3.0021
106	Q	B	-2.4877
107	Y	B	-1.5275
108	H	B	-1.4410
109	G	B	0.0000
110	F	B	0.0000
111	V	B	0.0000
112	V	B	0.0000
113	I	B	0.0000
114	H	B	0.0000
115	G	B	0.0000
116	T	B	0.0000
117	D	B	-0.2743
118	T	B	0.0000
119	M	B	0.0000
120	A	B	0.0000
121	F	B	0.0000
122	A	B	0.0000
123	A	B	0.0000
124	S	B	0.0000
125	M	B	0.0000
126	L	B	0.0000
127	S	B	0.0000
128	F	B	0.0000
129	M	B	0.0000
130	L	B	0.0000
131	E	B	-1.0664
132	N	B	-1.4280
133	L	B	0.0000
134	Q	B	-1.8208
135	K	B	-1.1322
136	T	B	0.0000
137	V	B	0.0000
138	I	B	0.0000
139	L	B	0.0000
140	T	B	0.0000
141	G	B	0.0000
142	A	B	0.0000
143	Q	B	-0.1656
144	V	B	0.0000
145	P	B	0.0000
146	I	B	0.0000
147	H	B	-0.6834
148	A	B	-0.2759
149	L	B	0.2099
150	W	B	0.0831
151	S	B	-0.1773
152	D	B	0.0000
153	G	B	0.0000
154	R	B	-0.6361
155	E	B	-0.7643
156	N	B	0.0000
157	L	B	0.0000
158	L	B	0.0000
159	G	B	0.0000
160	A	B	0.0000
161	L	B	0.0000
162	L	B	0.0000
163	M	B	0.0000
164	A	B	0.0000
165	G	B	0.0000
166	Q	B	0.0000
167	Y	B	0.0000
168	V	B	0.6496
169	I	B	0.0000
170	P	B	-0.8132
171	E	B	-0.5639
172	V	B	0.0000
173	C	B	0.0000
174	L	B	0.0000
175	F	B	0.0000
176	F	B	0.0000
177	Q	B	-0.5376
178	N	B	-0.8457
179	Q	B	-0.5020
180	L	B	0.0000
181	F	B	0.2484
182	R	B	-0.1302
183	G	B	0.0000
184	N	B	0.0000
185	R	B	-0.1660
186	A	B	0.0000
187	T	B	0.1173
188	K	B	0.0500
189	V	B	0.1473
190	D	B	0.0000
191	A	B	0.0000
192	R	B	0.0000
193	R	B	-0.0482
194	F	B	0.4401
195	A	B	0.0000
196	A	B	0.1991
197	F	B	0.3637
198	C	B	0.3811
199	S	B	0.1807
200	P	B	0.0000
201	N	B	0.0207
202	L	B	0.2391
203	L	B	0.2149
204	P	B	0.2176
205	L	B	0.0000
206	A	B	0.0000
207	T	B	-0.3507
208	V	B	0.0000
209	G	B	0.0000
210	A	B	-0.2494
211	D	B	0.0000
212	I	B	0.0000
213	T	B	-0.1867
214	I	B	-0.3032
215	N	B	-1.1503
216	R	B	-2.1675
217	E	B	-2.2570
218	L	B	0.0000
219	V	B	-1.2248
220	R	B	-1.9102
221	K	B	-1.8155
222	V	B	-0.5426
223	D	B	-1.8480
224	G	B	-1.9030
225	K	B	-2.3752
226	A	B	-1.3842
227	G	B	-1.0866
228	L	B	0.0000
229	V	B	0.3318
230	V	B	0.0639
231	H	B	-0.1044
232	S	B	-0.1154
233	S	B	-0.3305
234	M	B	-0.5457
235	E	B	-1.2275
236	Q	B	-1.6080
237	D	B	-2.1219
238	V	B	0.0000
239	G	B	0.0000
240	L	B	0.0000
241	L	B	0.0000
242	R	B	0.0000
243	L	B	0.0000
244	Y	B	0.0000
245	P	B	-0.1684
246	G	B	-0.6234
247	I	B	0.0000
248	P	B	-0.9475
249	A	B	-1.2274
250	A	B	-0.7265
251	L	B	-0.6966
252	V	B	0.0000
253	R	B	-2.0584
254	A	B	-1.2284
255	F	B	0.0000
256	L	B	0.0000
257	Q	B	-1.1213
258	P	B	-0.9683
259	P	B	-0.9941
260	L	B	0.0000
261	K	B	-1.6415
262	G	B	0.0000
263	V	B	0.0000
264	V	B	0.0000
265	M	B	0.0000
266	E	B	0.0000
267	T	B	0.0000
268	F	B	0.0000
269	G	B	0.0000
270	S	B	0.0000
271	G	B	0.0000
272	N	B	0.0000
273	G	B	0.0000
274	P	B	0.0000
275	T	B	-0.6069
276	K	B	-1.3855
277	P	B	-1.8100
278	D	B	-2.5895
279	L	B	0.0000
280	L	B	-1.5554
281	Q	B	-2.3361
282	E	B	-2.3248
283	L	B	0.0000
284	R	B	-0.8936
285	V	B	-0.7941
286	A	B	-1.3571
287	T	B	-1.8097
288	E	B	-2.6132
289	R	B	-2.7742
290	G	B	0.0000
291	L	B	-1.2201
292	V	B	0.0000
293	I	B	0.0000
294	V	B	0.0000
295	N	B	0.0000
296	C	B	0.0000
297	T	B	0.0000
298	H	B	-0.0902
299	C	B	0.0145
300	L	B	0.0990
301	Q	B	-0.2580
302	G	B	0.0000
303	A	B	0.0000
304	V	B	0.0000
305	T	B	0.0386
306	T	B	-0.0918
307	D	B	-0.3903
308	Y	B	0.0000
309	A	B	0.2355
310	A	B	0.1729
311	G	B	0.0000
312	M	B	0.6736
313	A	B	0.3456
314	M	B	0.0000
315	A	B	0.1078
316	G	B	-0.1742
317	A	B	-0.0545
318	G	B	-0.3834
319	V	B	0.0000
320	I	B	0.0000
321	S	B	0.1588
322	G	B	0.0000
323	F	B	0.8718
324	D	B	0.0000
325	M	B	0.0000
326	T	B	0.0000
327	S	B	0.0000
328	E	B	-0.2818
329	A	B	0.0000
330	A	B	0.0000
331	L	B	0.0000
332	A	B	0.0000
333	K	B	0.0000
334	L	B	0.0000
335	S	B	0.0000
336	Y	B	-0.0941
337	V	B	0.0000
338	L	B	-0.4106
339	G	B	-0.5131
340	Q	B	-0.4238
341	P	B	-0.4336
342	G	B	-0.3553
343	L	B	-0.0245
344	S	B	-0.7254
345	L	B	-1.3410
346	D	B	-1.9716
347	V	B	-0.8755
348	R	B	-1.0997
349	K	B	-1.7976
350	E	B	-2.5636
351	L	B	-1.2872
352	L	B	0.0000
353	T	B	-0.9294
354	K	B	-1.4858
355	D	B	-1.1400
356	L	B	-0.3542
357	R	B	-0.5578
358	G	B	-0.4068
359	E	B	0.0000
360	M	B	-0.0063
361	T	B	-0.0151
362	P	B	-0.6507
363	P	B	-0.5205
364	S	B	-0.3363
365	V	B	-1.0685
366	E	B	-2.7553
367	E	B	-3.3143
368	R	B	-2.9668
1	M	C	-2.0915
2	A	C	0.0000
3	R	C	-1.9499
4	A	C	-0.1748
5	V	C	0.3483
6	G	C	-0.4171
7	P	C	-1.9108
8	E	C	-2.6168
9	R	C	0.0000
10	R	C	-1.8250
11	L	C	0.0000
12	L	C	0.0000
13	A	C	0.0000
14	V	C	0.0000
15	Y	C	0.0000
16	T	C	0.0000
17	G	C	0.0000
18	G	C	-0.0395
19	T	C	-0.0862
20	I	C	0.0000
21	G	C	0.0000
22	M	C	0.0000
23	R	C	-1.1477
24	S	C	-0.4824
25	E	C	-0.7705
26	L	C	0.9385
27	G	C	0.8330
28	V	C	1.3142
29	L	C	0.8565
30	V	C	0.6646
31	P	C	-0.2298
32	G	C	-0.1872
33	T	C	-0.5649
34	G	C	-0.5958
35	L	C	0.0000
36	A	C	-1.4092
37	A	C	-1.2397
38	I	C	0.0000
39	L	C	0.0000
40	R	C	-1.6786
41	T	C	-0.6355
42	L	C	-0.1669
43	P	C	-0.2863
44	M	C	-0.1907
45	F	C	0.0000
46	H	C	-1.3806
47	D	C	-1.7986
48	E	C	-2.9628
49	E	C	-2.5490
50	H	C	-1.6011
51	A	C	0.0000
52	R	C	-1.9248
53	A	C	-1.6806
54	R	C	-2.4001
55	G	C	-1.3463
56	L	C	-1.1003
57	S	C	-1.7624
58	E	C	-2.5364
59	D	C	-2.4766
60	T	C	-1.3970
61	L	C	0.0000
62	V	C	0.0000
63	L	C	0.0000
64	P	C	0.0000
65	P	C	0.0000
66	A	C	0.0000
67	S	C	-1.7190
68	R	C	-2.0365
69	N	C	-2.5028
70	Q	C	-2.2302
71	R	C	-2.9305
72	I	C	0.0000
73	L	C	-1.0316
74	Y	C	0.0000
75	T	C	-0.8109
76	V	C	0.0000
77	L	C	-0.3704
78	E	C	-0.6343
79	C	C	-0.5111
80	Q	C	-1.2036
81	P	C	-0.6821
82	L	C	0.1453
83	F	C	0.4011
84	D	C	0.0143
85	S	C	0.0210
86	S	C	0.0000
87	D	C	0.0000
88	M	C	0.0000
89	T	C	-0.0823
90	I	C	0.0879
91	A	C	0.2228
92	E	C	0.1187
93	W	C	0.0000
94	V	C	0.3336
95	C	C	0.2522
96	L	C	0.0000
97	A	C	0.0000
98	Q	C	-0.8433
99	T	C	-0.9606
100	I	C	0.0000
101	K	C	-1.9243
102	R	C	-2.9142
103	H	C	-2.3361
104	Y	C	0.0000
105	E	C	-2.9762
106	Q	C	-2.5432
107	Y	C	-1.7908
108	H	C	-1.1426
109	G	C	0.0000
110	F	C	0.0000
111	V	C	0.0000
112	V	C	0.0000
113	I	C	0.0000
114	H	C	0.0000
115	G	C	0.0000
116	T	C	0.0000
117	D	C	0.0000
118	T	C	0.0000
119	M	C	0.0000
120	A	C	0.0000
121	F	C	0.0000
122	A	C	0.0000
123	A	C	0.0000
124	S	C	0.0000
125	M	C	0.0000
126	L	C	0.0000
127	S	C	-0.3768
128	F	C	0.0000
129	M	C	0.0000
130	L	C	0.0000
131	E	C	-0.6780
132	N	C	-1.2635
133	L	C	-1.3594
134	Q	C	-2.3067
135	K	C	-1.4277
136	T	C	0.0000
137	V	C	0.0000
138	I	C	0.0000
139	L	C	0.0000
140	T	C	0.0000
141	G	C	0.0000
142	A	C	0.0000
143	Q	C	0.0000
144	V	C	0.1265
145	P	C	0.0559
146	I	C	0.0000
147	H	C	-0.0747
148	A	C	0.0035
149	L	C	0.1411
150	W	C	0.0000
151	S	C	0.0000
152	D	C	0.0000
153	G	C	0.0000
154	R	C	0.0000
155	E	C	-0.3408
156	N	C	0.0000
157	L	C	0.0000
158	L	C	0.0000
159	G	C	0.0000
160	A	C	0.0000
161	L	C	0.0000
162	L	C	0.0000
163	M	C	0.0000
164	A	C	0.0000
165	G	C	0.0000
166	Q	C	0.0000
167	Y	C	0.0568
168	V	C	0.0000
169	I	C	0.0000
170	P	C	0.0000
171	E	C	-0.6528
172	V	C	0.0000
173	C	C	0.0000
174	L	C	0.0000
175	F	C	0.0000
176	F	C	0.0000
177	Q	C	-0.5495
178	N	C	-0.6641
179	Q	C	-1.0482
180	L	C	0.0000
181	F	C	0.0000
182	R	C	-0.2758
183	G	C	-0.3267
184	N	C	-0.5313
185	R	C	0.0000
186	A	C	0.0000
187	T	C	0.0000
188	K	C	0.0000
189	V	C	0.0000
190	D	C	-0.1957
191	A	C	-0.2496
192	R	C	0.0000
193	R	C	-0.8748
194	F	C	-0.3029
195	A	C	-0.0457
196	A	C	-0.0417
197	F	C	0.3145
198	C	C	0.8843
199	S	C	0.0000
200	P	C	0.0697
201	N	C	-0.2580
202	L	C	0.4126
203	L	C	1.0438
204	P	C	0.1079
205	L	C	0.0000
206	A	C	0.0000
207	T	C	-0.4389
208	V	C	0.0000
209	G	C	-0.1967
210	A	C	-0.3364
211	D	C	-0.3019
212	I	C	0.0000
213	T	C	-0.2542
214	I	C	-0.7208
215	N	C	-1.8235
216	R	C	-3.4111
217	E	C	-3.6724
218	L	C	0.0000
219	V	C	0.0000
220	R	C	-3.9535
221	K	C	-3.4901
222	V	C	-2.6118
223	D	C	-3.2920
224	G	C	-2.6700
225	K	C	-2.7723
226	A	C	-1.3779
227	G	C	-0.6805
228	L	C	-0.1157
229	V	C	0.9028
230	V	C	0.3608
231	H	C	0.0525
232	S	C	0.0554
233	S	C	-0.2426
234	M	C	0.0000
235	E	C	-1.1688
236	Q	C	-1.7993
237	D	C	-2.3121
238	V	C	0.0000
239	G	C	0.0000
240	L	C	0.0000
241	L	C	0.0000
242	R	C	-0.2057
243	L	C	0.0000
244	Y	C	0.0000
245	P	C	0.0000
246	G	C	-0.8478
247	I	C	0.0000
248	P	C	0.0000
249	A	C	-0.6406
250	A	C	-0.4243
251	L	C	0.0000
252	V	C	0.0000
253	R	C	-1.2703
254	A	C	-0.9968
255	F	C	0.0000
256	L	C	0.0000
257	Q	C	-1.6081
258	P	C	-1.1680
259	P	C	-1.2519
260	L	C	-1.2483
261	K	C	-2.1699
262	G	C	0.0000
263	V	C	0.0000
264	V	C	0.0000
265	M	C	0.0000
266	E	C	0.0000
267	T	C	0.0000
268	F	C	0.0000
269	G	C	-0.1572
270	S	C	0.0000
271	G	C	0.0000
272	N	C	0.0000
273	G	C	0.0000
274	P	C	0.0000
275	T	C	0.0000
276	K	C	-1.0491
277	P	C	-1.7286
278	D	C	-2.5091
279	L	C	0.0000
280	L	C	0.0000
281	Q	C	-2.1669
282	E	C	-1.6078
283	L	C	0.0000
284	R	C	-0.7517
285	V	C	0.4346
286	A	C	-0.6328
287	T	C	-1.3566
288	E	C	-2.7328
289	R	C	-2.8821
290	G	C	-1.9046
291	L	C	-1.2813
292	V	C	0.0000
293	I	C	0.0000
294	V	C	0.0000
295	N	C	0.0000
296	C	C	0.0000
297	T	C	0.0000
298	H	C	-0.2142
299	C	C	-0.2377
300	L	C	-0.2519
301	Q	C	-0.6068
302	G	C	-0.6829
303	A	C	0.0000
304	V	C	0.0000
305	T	C	-0.1244
306	T	C	0.3144
307	D	C	0.0000
308	Y	C	0.0000
309	A	C	0.0370
310	A	C	0.0000
311	G	C	0.0000
312	M	C	0.4041
313	A	C	-0.0279
314	M	C	0.0000
315	A	C	-0.0028
316	G	C	-0.2774
317	A	C	0.1102
318	G	C	0.0000
319	V	C	0.0000
320	I	C	0.0000
321	S	C	-0.4822
322	G	C	0.0000
323	F	C	-0.0163
324	D	C	-0.3559
325	M	C	0.0000
326	T	C	0.0000
327	S	C	0.0000
328	E	C	0.0000
329	A	C	0.0000
330	A	C	0.0000
331	L	C	0.0000
332	A	C	0.0000
333	K	C	0.0000
334	L	C	0.0000
335	S	C	0.0000
336	Y	C	-0.0761
337	V	C	0.0000
338	L	C	-0.5621
339	G	C	-0.6134
340	Q	C	-0.4238
341	P	C	-0.4768
342	G	C	-0.4866
343	L	C	-0.1389
344	S	C	-0.7066
345	L	C	-1.4860
346	D	C	-2.2420
347	V	C	-0.9644
348	R	C	-1.1287
349	K	C	-1.9924
350	E	C	-2.7884
351	L	C	-1.6966
352	L	C	0.0000
353	T	C	-1.7055
354	K	C	-2.7613
355	D	C	-2.5553
356	L	C	-1.2422
357	R	C	-1.4125
358	G	C	-1.4233
359	E	C	-1.1954
360	M	C	-1.0676
361	T	C	-0.7737
362	P	C	-0.5607
363	P	C	-0.7634
364	S	C	-0.8247
365	V	C	-1.5148
366	E	C	-2.9632
367	E	C	-3.1093
368	R	C	-2.4998
1	M	D	-0.0470
2	A	D	-0.7958
3	R	D	-1.5197
4	A	D	0.0234
5	V	D	0.9125
6	G	D	-0.2020
7	P	D	-1.2319
8	E	D	0.0000
9	R	D	-0.5646
10	R	D	-0.4404
11	L	D	0.0000
12	L	D	0.0000
13	A	D	0.0000
14	V	D	0.0000
15	Y	D	0.0000
16	T	D	0.0000
17	G	D	0.0000
18	G	D	0.0000
19	T	D	-0.0695
20	I	D	0.0000
21	G	D	0.0000
22	M	D	-0.2940
23	R	D	-0.6974
24	S	D	-0.5289
25	E	D	-0.6655
26	L	D	0.9461
27	G	D	0.4428
28	V	D	1.4737
29	L	D	0.6795
30	V	D	0.5337
31	P	D	-0.3671
32	G	D	-0.6254
33	T	D	-0.4956
34	G	D	-0.3779
35	L	D	0.0000
36	A	D	-0.8280
37	A	D	-0.5111
38	I	D	0.0000
39	L	D	0.0000
40	R	D	-1.6990
41	T	D	-0.7786
42	L	D	0.0000
43	P	D	0.0000
44	M	D	0.0000
45	F	D	0.0000
46	H	D	-1.4034
47	D	D	-2.3912
48	E	D	-3.6183
49	E	D	-3.2678
50	H	D	-2.2114
51	A	D	0.0000
52	R	D	-3.5538
53	A	D	-2.3419
54	R	D	-2.3399
55	G	D	-0.9048
56	L	D	-0.7285
57	S	D	-1.4469
58	E	D	-2.5106
59	D	D	-2.3357
60	T	D	0.0000
61	L	D	0.0000
62	V	D	0.0000
63	L	D	0.0000
64	P	D	0.0000
65	P	D	-1.5444
66	A	D	-1.2754
67	S	D	-1.5386
68	R	D	-2.6412
69	N	D	-2.4747
70	Q	D	0.0000
71	R	D	-1.8069
72	I	D	0.0000
73	L	D	0.0000
74	Y	D	0.0000
75	T	D	0.0000
76	V	D	0.0000
77	L	D	-0.1096
78	E	D	-0.7697
79	C	D	-0.6109
80	Q	D	-1.3177
81	P	D	-0.9371
82	L	D	0.0000
83	F	D	-0.3442
84	D	D	-0.8729
85	S	D	0.0000
86	S	D	0.0000
87	D	D	-0.8879
88	M	D	0.0000
89	T	D	-0.3583
90	I	D	-0.1023
91	A	D	0.1487
92	E	D	0.1504
93	W	D	0.0000
94	V	D	0.4007
95	C	D	0.3066
96	L	D	0.0000
97	A	D	0.0000
98	Q	D	-1.6498
99	T	D	-1.3716
100	I	D	0.0000
101	K	D	-2.9551
102	R	D	-3.4219
103	H	D	-2.5389
104	Y	D	0.0000
105	E	D	-2.9622
106	Q	D	-2.3537
107	Y	D	-1.2017
108	H	D	-0.4561
109	G	D	0.0000
110	F	D	0.0000
111	V	D	0.0000
112	V	D	0.0000
113	I	D	0.0000
114	H	D	0.0000
115	G	D	0.0000
116	T	D	0.0000
117	D	D	-0.3394
118	T	D	0.0000
119	M	D	0.0000
120	A	D	-0.1778
121	F	D	0.0000
122	A	D	0.0000
123	A	D	0.0000
124	S	D	0.0000
125	M	D	0.0000
126	L	D	0.0000
127	S	D	-0.2995
128	F	D	0.0000
129	M	D	0.0000
130	L	D	0.0000
131	E	D	-0.7192
132	N	D	-1.4511
133	L	D	0.0000
134	Q	D	-1.6122
135	K	D	-0.8664
136	T	D	0.0000
137	V	D	0.0000
138	I	D	0.0000
139	L	D	0.0000
140	T	D	0.0000
141	G	D	0.0000
142	A	D	0.0000
143	Q	D	0.0000
144	V	D	0.1537
145	P	D	0.0972
146	I	D	0.0000
147	H	D	0.0000
148	A	D	0.0000
149	L	D	0.0098
150	W	D	-0.0057
151	S	D	0.0000
152	D	D	0.0000
153	G	D	0.0000
154	R	D	-0.3051
155	E	D	-0.3375
156	N	D	0.0000
157	L	D	0.0000
158	L	D	0.0000
159	G	D	0.0000
160	A	D	0.0000
161	L	D	0.0000
162	L	D	0.0000
163	M	D	0.0000
164	A	D	0.0000
165	G	D	0.0000
166	Q	D	0.1529
167	Y	D	1.0747
168	V	D	1.6205
169	I	D	0.0000
170	P	D	-1.1039
171	E	D	-0.8410
172	V	D	0.0000
173	C	D	0.0000
174	L	D	0.0000
175	F	D	0.0000
176	F	D	0.0000
177	Q	D	-0.2807
178	N	D	0.0000
179	Q	D	-0.3781
180	L	D	0.0000
181	F	D	0.0279
182	R	D	-0.3116
183	G	D	-0.2330
184	N	D	0.0000
185	R	D	0.0000
186	A	D	0.0000
187	T	D	0.1396
188	K	D	0.0301
189	V	D	0.1404
190	D	D	0.0000
191	A	D	0.0000
192	R	D	-0.3803
193	R	D	-0.3029
194	F	D	0.0682
195	A	D	0.1383
196	A	D	0.0000
197	F	D	0.3887
198	C	D	0.4537
199	S	D	0.2102
200	P	D	-0.0923
201	N	D	-0.2370
202	L	D	0.1107
203	L	D	0.2801
204	P	D	0.1149
205	L	D	0.0000
206	A	D	0.0000
207	T	D	0.0000
208	V	D	0.0000
209	G	D	0.0000
210	A	D	-0.2988
211	D	D	-0.6685
212	I	D	0.0000
213	T	D	0.0000
214	I	D	0.0000
215	N	D	-1.2508
216	R	D	-2.6487
217	E	D	-2.8678
218	L	D	0.0000
219	V	D	-2.0460
220	R	D	-3.4868
221	K	D	-3.1530
222	V	D	-2.3034
223	D	D	-3.1397
224	G	D	-2.5296
225	K	D	-2.4272
226	A	D	-1.1373
227	G	D	-0.6214
228	L	D	-0.2397
229	V	D	0.6001
230	V	D	0.0299
231	H	D	0.0675
232	S	D	0.0650
233	S	D	-0.2113
234	M	D	0.0000
235	E	D	-1.1654
236	Q	D	-1.7719
237	D	D	-1.5610
238	V	D	0.0000
239	G	D	0.0000
240	L	D	0.0000
241	L	D	0.0000
242	R	D	0.0000
243	L	D	0.0000
244	Y	D	0.0000
245	P	D	0.0000
246	G	D	-0.3382
247	I	D	0.0134
248	P	D	0.0000
249	A	D	-0.1748
250	A	D	0.0000
251	L	D	0.0000
252	V	D	0.6897
253	R	D	-0.3181
254	A	D	0.0000
255	F	D	0.0000
256	L	D	-0.0549
257	Q	D	-0.6093
258	P	D	-0.5482
259	P	D	-0.5881
260	L	D	-0.3894
261	K	D	-1.0235
262	G	D	0.0000
263	V	D	0.0000
264	V	D	0.0000
265	M	D	0.0000
266	E	D	0.0000
267	T	D	0.0000
268	F	D	0.0060
269	G	D	-0.1486
270	S	D	0.1474
271	G	D	0.0000
272	N	D	0.0000
273	G	D	0.0000
274	P	D	0.0000
275	T	D	-1.0762
276	K	D	-1.8146
277	P	D	-2.2149
278	D	D	-3.1513
279	L	D	0.0000
280	L	D	0.0000
281	Q	D	-3.1062
282	E	D	-3.1141
283	L	D	0.0000
284	R	D	-2.4468
285	V	D	-2.0980
286	A	D	0.0000
287	T	D	0.0000
288	E	D	-2.9598
289	R	D	-2.7697
290	G	D	-1.8554
291	L	D	-0.7669
292	V	D	0.0000
293	I	D	0.0000
294	V	D	0.0000
295	N	D	0.0000
296	C	D	0.0000
297	T	D	0.0000
298	H	D	-0.2427
299	C	D	0.0000
300	L	D	0.0000
301	Q	D	-0.3296
302	G	D	0.0000
303	A	D	0.0000
304	V	D	0.0741
305	T	D	0.0053
306	T	D	0.0855
307	D	D	0.0022
308	Y	D	0.7332
309	A	D	0.5790
310	A	D	0.2345
311	G	D	0.0000
312	M	D	0.9190
313	A	D	0.4086
314	M	D	0.0000
315	A	D	0.1731
316	G	D	-0.1387
317	A	D	-0.1186
318	G	D	-0.9614
319	V	D	0.0000
320	I	D	-0.3771
321	S	D	-0.2327
322	G	D	0.0000
323	F	D	0.2509
324	D	D	0.0000
325	M	D	0.0000
326	T	D	0.0000
327	S	D	-0.3738
328	E	D	-0.5525
329	A	D	0.0000
330	A	D	0.0000
331	L	D	0.0000
332	A	D	0.0000
333	K	D	0.0000
334	L	D	0.0000
335	S	D	0.0000
336	Y	D	0.0000
337	V	D	0.0000
338	L	D	0.0000
339	G	D	-0.7333
340	Q	D	-0.4654
341	P	D	-0.5334
342	G	D	-0.5210
343	L	D	-0.1526
344	S	D	-0.4707
345	L	D	-1.1258
346	D	D	-1.8653
347	V	D	-0.6920
348	R	D	-1.1867
349	K	D	-1.8580
350	E	D	-2.4662
351	L	D	-1.5123
352	L	D	0.0000
353	T	D	-1.5281
354	K	D	-2.8219
355	D	D	-2.6431
356	L	D	-1.0580
357	R	D	-1.1707
358	G	D	-1.3563
359	E	D	0.0000
360	M	D	0.0000
361	T	D	-0.6156
362	P	D	-0.2677
363	P	D	0.3575
364	S	D	0.5749
365	V	D	0.8630
366	E	D	-0.9475
367	E	D	-2.6253
368	R	D	-2.5831