| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
F |
166 |
45 |
8121 |
◊ |
E |
x,y,z |
1_555 |
170 |
41 |
8122 |
1656.7 |
-42.3 |
0.335 |
4 |
0 |
0 |
0.642 |
2 |
|
E |
168 |
45 |
8122 |
◊ |
D |
x,y,z |
1_555 |
172 |
42 |
8124 |
1656.0 |
-42.2 |
0.365 |
4 |
0 |
0 |
0.642 |
3 |
|
C |
166 |
45 |
8105 |
◊ |
B |
x,y,z |
1_555 |
168 |
41 |
8119 |
1655.1 |
-42.4 |
0.332 |
4 |
0 |
0 |
0.642 |
4 |
|
G |
170 |
45 |
8107 |
◊ |
F |
x,y,z |
1_555 |
169 |
41 |
8121 |
1652.8 |
-42.2 |
0.347 |
4 |
0 |
0 |
0.642 |
5 |
|
D |
166 |
45 |
8124 |
◊ |
C |
x,y,z |
1_555 |
168 |
41 |
8105 |
1652.6 |
-42.1 |
0.330 |
4 |
0 |
0 |
0.642 |
6 |
|
H |
169 |
45 |
8122 |
◊ |
G |
x,y,z |
1_555 |
169 |
41 |
8107 |
1651.8 |
-42.1 |
0.349 |
4 |
0 |
0 |
0.642 |
7 |
|
B |
170 |
45 |
8119 |
◊ |
A |
x,y,z |
1_555 |
169 |
42 |
8101 |
1651.1 |
-42.1 |
0.374 |
4 |
0 |
0 |
0.642 |
8 |
|
I |
167 |
44 |
8186 |
◊ |
H |
x,y,z |
1_555 |
173 |
41 |
8122 |
1646.5 |
-41.6 |
0.350 |
4 |
0 |
0 |
0.642 |
9 |
|
J |
167 |
44 |
8135 |
◊ |
I |
x,y,z |
1_555 |
171 |
41 |
8186 |
1645.2 |
-41.5 |
0.316 |
4 |
0 |
0 |
0.642 |
10 |
|
J |
166 |
41 |
8135 |
◊ |
A |
x,y,z |
1_555 |
168 |
45 |
8101 |
1642.5 |
-41.9 |
0.321 |
3 |
0 |
0 |
0.642 |
| Average: |
1651.0 |
-42.0 |
0.342 |
4 |
0 |
0 |
0.642 |
| 2 |
11 |
|
[LHG]F:205 |
30 |
1 |
929 |
f |
G |
x,y,z |
1_555 |
34 |
13 |
8107 |
307.5 |
-3.2 |
0.547 |
0 |
0 |
0 |
0.047 |
12 |
|
[LHG]A:203 |
31 |
1 |
923 |
f |
A |
x,y,z |
1_555 |
35 |
13 |
8101 |
306.7 |
-3.2 |
0.569 |
0 |
0 |
0 |
0.047 |
13 |
|
[LHG]C:205 |
31 |
1 |
926 |
f |
D |
x,y,z |
1_555 |
34 |
13 |
8124 |
306.7 |
-3.2 |
0.550 |
0 |
0 |
0 |
0.047 |
14 |
|
[LHG]I:203 |
31 |
1 |
925 |
f |
I |
x,y,z |
1_555 |
35 |
13 |
8186 |
306.0 |
-3.2 |
0.553 |
0 |
0 |
0 |
0.047 |
15 |
|
[LHG]D:204 |
31 |
1 |
929 |
f |
E |
x,y,z |
1_555 |
34 |
13 |
8122 |
305.9 |
-3.1 |
0.555 |
0 |
0 |
0 |
0.047 |
16 |
|
[LHG]B:203 |
31 |
1 |
927 |
f |
B |
x,y,z |
1_555 |
34 |
13 |
8119 |
305.9 |
-3.2 |
0.558 |
0 |
0 |
0 |
0.047 |
17 |
|
[LHG]F:203 |
30 |
1 |
927 |
f |
F |
x,y,z |
1_555 |
35 |
13 |
8121 |
305.7 |
-3.2 |
0.571 |
0 |
0 |
0 |
0.047 |
18 |
|
[LHG]G:204 |
31 |
1 |
928 |
f |
H |
x,y,z |
1_555 |
34 |
13 |
8122 |
305.5 |
-3.2 |
0.550 |
0 |
0 |
0 |
0.047 |
19 |
|
[LHG]C:203 |
31 |
1 |
926 |
f |
C |
x,y,z |
1_555 |
34 |
13 |
8105 |
305.2 |
-3.1 |
0.555 |
0 |
0 |
0 |
0.047 |
20 |
|
[LHG]J:203 |
30 |
1 |
922 |
f |
J |
x,y,z |
1_555 |
34 |
13 |
8135 |
305.1 |
-3.2 |
0.545 |
0 |
0 |
0 |
0.047 |
| Average: |
306.0 |
-3.2 |
0.555 |
0 |
0 |
0 |
0.047 |
| 3 |
21 |
|
[UMQ]F:206 |
26 |
1 |
769 |
f |
F |
x,y,z |
1_555 |
34 |
10 |
8121 |
295.9 |
-8.7 |
0.636 |
3 |
0 |
0 |
0.050 |
| 4 |
22 |
|
[UMQ]C:206 |
25 |
1 |
740 |
f |
C |
x,y,z |
1_555 |
25 |
8 |
8105 |
259.0 |
-5.8 |
0.664 |
3 |
0 |
0 |
0.043 |
| 5 |
23 |
|
I |
25 |
7 |
8186 |
◊ |
J |
x-1/2,-y+1/2,-z |
4_455 |
22 |
5 |
8135 |
197.2 |
-0.4 |
0.944 |
2 |
0 |
0 |
0.000 |
| 6 |
24 |
|
[DCW]B:201 |
16 |
1 |
421 |
cf |
B |
x,y,z |
1_555 |
23 |
10 |
8119 |
193.8 |
1.5 |
0.263 |
1 |
0 |
0 |
0.000 |
25 |
|
[DCW]A:201 |
16 |
1 |
422 |
cf |
A |
x,y,z |
1_555 |
22 |
10 |
8101 |
193.2 |
1.6 |
0.226 |
1 |
0 |
0 |
0.000 |
26 |
|
[DCW]E:201 |
16 |
1 |
420 |
cf |
E |
x,y,z |
1_555 |
22 |
10 |
8122 |
192.5 |
1.5 |
0.243 |
1 |
0 |
0 |
0.000 |
27 |
|
[DCW]D:201 |
16 |
1 |
420 |
cf |
D |
x,y,z |
1_555 |
23 |
10 |
8124 |
192.2 |
1.5 |
0.237 |
1 |
0 |
0 |
0.000 |
28 |
|
[DCW]G:201 |
16 |
1 |
419 |
cf |
G |
x,y,z |
1_555 |
23 |
10 |
8107 |
191.9 |
1.5 |
0.251 |
1 |
0 |
0 |
0.000 |
29 |
|
[DCW]H:201 |
16 |
1 |
420 |
cf |
H |
x,y,z |
1_555 |
23 |
10 |
8122 |
191.9 |
1.6 |
0.249 |
1 |
0 |
0 |
0.000 |
30 |
|
[DCW]J:201 |
16 |
1 |
423 |
cf |
J |
x,y,z |
1_555 |
22 |
10 |
8135 |
191.7 |
1.5 |
0.244 |
1 |
0 |
0 |
0.000 |
31 |
|
[DCW]I:201 |
16 |
1 |
418 |
cf |
I |
x,y,z |
1_555 |
23 |
10 |
8186 |
190.8 |
1.5 |
0.251 |
1 |
0 |
0 |
0.000 |
32 |
|
[DCW]C:201 |
16 |
1 |
418 |
cf |
C |
x,y,z |
1_555 |
23 |
10 |
8105 |
189.8 |
1.5 |
0.240 |
1 |
0 |
0 |
0.000 |
33 |
|
[DCW]F:201 |
16 |
1 |
420 |
cf |
F |
x,y,z |
1_555 |
22 |
10 |
8121 |
189.3 |
1.5 |
0.236 |
1 |
0 |
0 |
0.000 |
| Average: |
191.7 |
1.5 |
0.244 |
1 |
0 |
0 |
0.000 |
| 7 |
34 |
|
[LHG]E:203 |
23 |
1 |
952 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
8124 |
191.9 |
-1.6 |
0.297 |
0 |
0 |
0 |
0.023 |
35 |
|
[LHG]I:204 |
21 |
1 |
954 |
f |
H |
x,y,z |
1_555 |
21 |
9 |
8122 |
191.6 |
-1.6 |
0.313 |
0 |
0 |
0 |
0.023 |
36 |
|
[LHG]J:204 |
22 |
1 |
950 |
f |
I |
x,y,z |
1_555 |
20 |
8 |
8186 |
190.5 |
-1.6 |
0.267 |
0 |
0 |
0 |
0.023 |
37 |
|
[LHG]D:203 |
22 |
1 |
951 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
8105 |
190.0 |
-1.6 |
0.278 |
0 |
0 |
0 |
0.023 |
38 |
|
[LHG]G:203 |
22 |
1 |
950 |
f |
F |
x,y,z |
1_555 |
19 |
7 |
8121 |
186.9 |
-1.5 |
0.262 |
0 |
0 |
0 |
0.023 |
39 |
|
[LHG]C:204 |
23 |
1 |
951 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
8119 |
186.6 |
-1.6 |
0.295 |
0 |
0 |
0 |
0.023 |
40 |
|
[LHG]F:204 |
23 |
1 |
952 |
f |
E |
x,y,z |
1_555 |
20 |
8 |
8122 |
186.5 |
-1.5 |
0.299 |
0 |
0 |
0 |
0.023 |
41 |
|
[LHG]H:203 |
22 |
1 |
950 |
f |
G |
x,y,z |
1_555 |
20 |
8 |
8107 |
186.1 |
-1.6 |
0.287 |
0 |
0 |
0 |
0.023 |
42 |
|
[LHG]B:204 |
22 |
1 |
951 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
8101 |
185.9 |
-1.5 |
0.295 |
0 |
0 |
0 |
0.023 |
43 |
|
[LHG]A:204 |
22 |
1 |
951 |
f |
J |
x,y,z |
1_555 |
20 |
7 |
8135 |
184.7 |
-1.2 |
0.390 |
0 |
0 |
0 |
0.023 |
| Average: |
188.1 |
-1.5 |
0.298 |
0 |
0 |
0 |
0.023 |
| 8 |
44 |
|
[LHG]I:204 |
21 |
1 |
954 |
◊ |
I |
x,y,z |
1_555 |
22 |
7 |
8186 |
187.5 |
-2.0 |
0.424 |
1 |
0 |
0 |
0.034 |
45 |
|
[LHG]F:204 |
21 |
1 |
952 |
◊ |
F |
x,y,z |
1_555 |
21 |
7 |
8121 |
186.3 |
-1.9 |
0.419 |
1 |
0 |
0 |
0.034 |
46 |
|
[LHG]B:204 |
21 |
1 |
951 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
8119 |
185.4 |
-1.9 |
0.428 |
1 |
0 |
0 |
0.034 |
47 |
|
[LHG]D:203 |
21 |
1 |
951 |
◊ |
D |
x,y,z |
1_555 |
21 |
7 |
8124 |
184.7 |
-1.9 |
0.416 |
1 |
0 |
0 |
0.034 |
48 |
|
[LHG]C:204 |
21 |
1 |
951 |
◊ |
C |
x,y,z |
1_555 |
21 |
7 |
8105 |
184.7 |
-2.0 |
0.413 |
1 |
0 |
0 |
0.034 |
49 |
|
[LHG]A:204 |
21 |
1 |
951 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
8101 |
184.7 |
-2.0 |
0.400 |
1 |
0 |
0 |
0.034 |
50 |
|
[LHG]H:203 |
21 |
1 |
950 |
◊ |
H |
x,y,z |
1_555 |
20 |
7 |
8122 |
184.5 |
-2.0 |
0.393 |
1 |
0 |
0 |
0.034 |
51 |
|
[LHG]E:203 |
21 |
1 |
952 |
◊ |
E |
x,y,z |
1_555 |
20 |
7 |
8122 |
184.5 |
-1.9 |
0.396 |
1 |
0 |
0 |
0.034 |
52 |
|
[LHG]G:203 |
21 |
1 |
950 |
◊ |
G |
x,y,z |
1_555 |
20 |
7 |
8107 |
184.2 |
-1.9 |
0.400 |
1 |
0 |
0 |
0.034 |
53 |
|
[LHG]J:204 |
20 |
1 |
950 |
◊ |
J |
x,y,z |
1_555 |
19 |
6 |
8135 |
178.9 |
-1.9 |
0.428 |
0 |
0 |
0 |
0.034 |
| Average: |
184.5 |
-1.9 |
0.412 |
1 |
0 |
0 |
0.034 |
| 9 |
54 |
|
[LHG]A:204 |
15 |
1 |
951 |
f |
[LHG]J:203 |
x,y,z |
1_555 |
16 |
1 |
922 |
148.4 |
-4.1 |
0.163 |
0 |
0 |
0 |
0.058 |
55 |
|
[LHG]C:204 |
15 |
1 |
951 |
f |
[LHG]B:203 |
x,y,z |
1_555 |
16 |
1 |
927 |
147.4 |
-4.1 |
0.162 |
0 |
0 |
0 |
0.058 |
56 |
|
[LHG]G:203 |
16 |
1 |
950 |
f |
[LHG]F:203 |
x,y,z |
1_555 |
16 |
1 |
927 |
146.9 |
-4.0 |
0.170 |
0 |
0 |
0 |
0.058 |
57 |
|
[LHG]F:204 |
16 |
1 |
952 |
f |
[LHG]D:204 |
x,y,z |
1_555 |
16 |
1 |
929 |
146.8 |
-4.0 |
0.166 |
0 |
0 |
0 |
0.058 |
58 |
|
[LHG]H:203 |
15 |
1 |
950 |
f |
[LHG]F:205 |
x,y,z |
1_555 |
16 |
1 |
929 |
146.7 |
-4.0 |
0.165 |
0 |
0 |
0 |
0.058 |
59 |
|
[LHG]B:204 |
15 |
1 |
951 |
f |
[LHG]A:203 |
x,y,z |
1_555 |
16 |
1 |
923 |
146.0 |
-4.0 |
0.166 |
0 |
0 |
0 |
0.058 |
60 |
|
[LHG]D:203 |
15 |
1 |
951 |
f |
[LHG]C:203 |
x,y,z |
1_555 |
16 |
1 |
926 |
146.0 |
-3.9 |
0.165 |
0 |
0 |
0 |
0.058 |
61 |
|
[LHG]J:204 |
15 |
1 |
950 |
f |
[LHG]I:203 |
x,y,z |
1_555 |
16 |
1 |
925 |
145.6 |
-4.0 |
0.170 |
0 |
0 |
0 |
0.058 |
62 |
|
[LHG]I:204 |
15 |
1 |
954 |
f |
[LHG]G:204 |
x,y,z |
1_555 |
16 |
1 |
928 |
145.3 |
-3.9 |
0.175 |
0 |
0 |
0 |
0.058 |
63 |
|
[LHG]E:203 |
15 |
1 |
952 |
f |
[LHG]C:205 |
x,y,z |
1_555 |
16 |
1 |
926 |
143.9 |
-3.9 |
0.166 |
0 |
0 |
0 |
0.058 |
| Average: |
146.3 |
-4.0 |
0.167 |
0 |
0 |
0 |
0.058 |
| 10 |
64 |
|
[UMQ]A:205 |
11 |
1 |
424 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
8101 |
144.2 |
-4.7 |
0.626 |
1 |
0 |
0 |
0.023 |
| 11 |
65 |
|
[LHG]D:203 |
17 |
1 |
951 |
◊ |
[LHG]C:204 |
x,y,z |
1_555 |
15 |
1 |
951 |
144.1 |
1.3 |
0.560 |
0 |
0 |
0 |
0.000 |
66 |
|
[LHG]J:204 |
15 |
1 |
950 |
◊ |
[LHG]A:204 |
x,y,z |
1_555 |
16 |
1 |
951 |
143.9 |
1.5 |
0.572 |
0 |
0 |
0 |
0.000 |
67 |
|
[LHG]H:203 |
17 |
1 |
950 |
◊ |
[LHG]G:203 |
x,y,z |
1_555 |
15 |
1 |
950 |
142.4 |
1.4 |
0.566 |
0 |
0 |
0 |
0.000 |
68 |
|
[LHG]G:203 |
17 |
1 |
950 |
◊ |
[LHG]F:204 |
x,y,z |
1_555 |
15 |
1 |
952 |
141.7 |
1.4 |
0.567 |
0 |
0 |
0 |
0.000 |
69 |
|
[LHG]E:203 |
16 |
1 |
952 |
◊ |
[LHG]D:203 |
x,y,z |
1_555 |
15 |
1 |
951 |
140.9 |
1.2 |
0.554 |
0 |
0 |
0 |
0.000 |
70 |
|
[LHG]B:204 |
16 |
1 |
951 |
◊ |
[LHG]A:204 |
x,y,z |
1_555 |
15 |
1 |
951 |
140.6 |
1.4 |
0.565 |
0 |
0 |
0 |
0.000 |
71 |
|
[LHG]J:204 |
16 |
1 |
950 |
◊ |
[LHG]I:204 |
x,y,z |
1_555 |
15 |
1 |
954 |
140.1 |
1.3 |
0.555 |
0 |
0 |
0 |
0.000 |
72 |
|
[LHG]I:204 |
16 |
1 |
954 |
◊ |
[LHG]H:203 |
x,y,z |
1_555 |
15 |
1 |
950 |
139.4 |
1.1 |
0.548 |
0 |
0 |
0 |
0.000 |
73 |
|
[LHG]C:204 |
16 |
1 |
951 |
◊ |
[LHG]B:204 |
x,y,z |
1_555 |
15 |
1 |
951 |
138.8 |
1.3 |
0.553 |
0 |
0 |
0 |
0.000 |
74 |
|
[LHG]F:204 |
16 |
1 |
952 |
◊ |
[LHG]E:203 |
x,y,z |
1_555 |
15 |
1 |
952 |
138.4 |
1.3 |
0.558 |
0 |
0 |
0 |
0.000 |
| Average: |
141.0 |
1.3 |
0.560 |
0 |
0 |
0 |
0.000 |
| 12 |
75 |
|
I |
13 |
5 |
8186 |
x |
I |
x-1/2,-y+1/2,-z |
4_455 |
17 |
7 |
8186 |
132.0 |
2.5 |
0.969 |
3 |
3 |
0 |
0.000 |
| 13 |
76 |
|
[UMQ]J:205 |
12 |
1 |
418 |
f |
J |
x,y,z |
1_555 |
15 |
5 |
8135 |
130.0 |
-3.8 |
0.685 |
0 |
0 |
0 |
0.030 |
| 14 |
77 |
|
[UMQ]E:204 |
11 |
1 |
416 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
8122 |
121.5 |
-2.9 |
0.788 |
3 |
0 |
0 |
0.031 |
78 |
|
[UMQ]D:205 |
12 |
1 |
420 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
8124 |
121.2 |
-2.5 |
0.820 |
3 |
0 |
0 |
0.031 |
| Average: |
121.4 |
-2.7 |
0.804 |
3 |
0 |
0 |
0.031 |
| 15 |
79 |
|
[UMQ]H:204 |
9 |
1 |
423 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
8122 |
114.0 |
-2.0 |
0.773 |
3 |
0 |
0 |
0.027 |
| 16 |
80 |
|
[UMQ]A:206 |
11 |
1 |
420 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8101 |
109.8 |
-2.0 |
0.817 |
3 |
0 |
0 |
0.015 |
81 |
|
[UMQ]I:205 |
11 |
1 |
420 |
f |
I |
x,y,z |
1_555 |
12 |
6 |
8186 |
104.9 |
-2.0 |
0.773 |
1 |
0 |
0 |
0.015 |
| Average: |
107.4 |
-2.0 |
0.795 |
2 |
0 |
0 |
0.015 |
| 17 |
82 |
|
[LHG]D:204 |
13 |
1 |
929 |
◊ |
D |
x,y,z |
1_555 |
15 |
3 |
8124 |
109.2 |
-2.5 |
0.423 |
0 |
0 |
0 |
0.035 |
83 |
|
[LHG]C:205 |
13 |
1 |
926 |
◊ |
C |
x,y,z |
1_555 |
16 |
3 |
8105 |
108.4 |
-2.4 |
0.442 |
0 |
0 |
0 |
0.035 |
84 |
|
[LHG]A:203 |
13 |
1 |
923 |
◊ |
J |
x,y,z |
1_555 |
15 |
3 |
8135 |
108.3 |
-2.5 |
0.418 |
0 |
0 |
0 |
0.035 |
85 |
|
[LHG]F:205 |
13 |
1 |
929 |
◊ |
F |
x,y,z |
1_555 |
15 |
3 |
8121 |
107.2 |
-2.4 |
0.426 |
0 |
0 |
0 |
0.035 |
86 |
|
[LHG]G:204 |
12 |
1 |
928 |
◊ |
G |
x,y,z |
1_555 |
15 |
3 |
8107 |
106.7 |
-2.4 |
0.430 |
0 |
0 |
0 |
0.035 |
87 |
|
[LHG]B:203 |
12 |
1 |
927 |
◊ |
A |
x,y,z |
1_555 |
16 |
3 |
8101 |
106.2 |
-2.4 |
0.449 |
0 |
0 |
0 |
0.035 |
88 |
|
[LHG]I:203 |
13 |
1 |
925 |
◊ |
H |
x,y,z |
1_555 |
15 |
3 |
8122 |
106.1 |
-2.4 |
0.431 |
0 |
0 |
0 |
0.035 |
89 |
|
[LHG]J:203 |
12 |
1 |
922 |
◊ |
I |
x,y,z |
1_555 |
15 |
3 |
8186 |
106.0 |
-2.4 |
0.417 |
0 |
0 |
0 |
0.035 |
90 |
|
[LHG]F:203 |
11 |
1 |
927 |
◊ |
E |
x,y,z |
1_555 |
15 |
3 |
8122 |
105.5 |
-2.4 |
0.421 |
0 |
0 |
0 |
0.035 |
91 |
|
[LHG]C:203 |
12 |
1 |
926 |
◊ |
B |
x,y,z |
1_555 |
16 |
3 |
8119 |
105.2 |
-2.4 |
0.452 |
0 |
0 |
0 |
0.035 |
| Average: |
106.9 |
-2.4 |
0.431 |
0 |
0 |
0 |
0.035 |
| 18 |
92 |
|
F |
11 |
3 |
8121 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
3 |
8105 |
103.8 |
-1.4 |
0.752 |
0 |
0 |
0 |
0.000 |
| 19 |
93 |
|
J |
11 |
4 |
8135 |
◊ |
I |
x-1/2,-y+1/2,-z |
4_455 |
13 |
4 |
8186 |
95.2 |
-0.5 |
0.860 |
1 |
0 |
0 |
0.000 |
| 20 |
94 |
|
[UMQ]J:206 |
9 |
1 |
423 |
◊ |
[UMQ]J:205 |
x,y,z |
1_555 |
8 |
1 |
418 |
93.3 |
-3.1 |
0.991 |
0 |
0 |
0 |
0.005 |
| 21 |
95 |
|
[UMQ]F:206 |
9 |
1 |
769 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
12 |
6 |
8105 |
93.3 |
1.8 |
0.943 |
1 |
0 |
0 |
0.000 |
96 |
|
F |
12 |
5 |
8121 |
◊ |
[UMQ]C:206 |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
1 |
740 |
91.4 |
1.7 |
0.943 |
1 |
0 |
0 |
0.000 |
| Average: |
92.3 |
1.7 |
0.943 |
1 |
0 |
0 |
0.000 |
| 22 |
97 |
|
[UMQ]A:206 |
6 |
1 |
420 |
f |
[UMQ]A:205 |
x,y,z |
1_555 |
7 |
1 |
424 |
84.9 |
-4.4 |
0.857 |
0 |
0 |
0 |
0.020 |
| 23 |
98 |
|
[LHG]B:204 |
5 |
1 |
951 |
◊ |
[LHG]J:203 |
x,y,z |
1_555 |
9 |
1 |
922 |
79.2 |
-2.2 |
0.207 |
0 |
0 |
0 |
0.031 |
99 |
|
[LHG]I:204 |
5 |
1 |
954 |
◊ |
[LHG]F:205 |
x,y,z |
1_555 |
9 |
1 |
929 |
78.4 |
-2.2 |
0.215 |
0 |
0 |
0 |
0.031 |
100 |
|
[LHG]H:203 |
5 |
1 |
950 |
◊ |
[LHG]F:203 |
x,y,z |
1_555 |
9 |
1 |
927 |
78.3 |
-2.2 |
0.214 |
0 |
0 |
0 |
0.031 |
101 |
|
[LHG]F:204 |
4 |
1 |
952 |
◊ |
[LHG]C:205 |
x,y,z |
1_555 |
9 |
1 |
926 |
78.1 |
-2.2 |
0.187 |
0 |
0 |
0 |
0.031 |
102 |
|
[LHG]C:204 |
5 |
1 |
951 |
◊ |
[LHG]A:203 |
x,y,z |
1_555 |
9 |
1 |
923 |
78.0 |
-2.2 |
0.210 |
0 |
0 |
0 |
0.031 |
103 |
|
[LHG]A:204 |
4 |
1 |
951 |
◊ |
[LHG]I:203 |
x,y,z |
1_555 |
9 |
1 |
925 |
77.0 |
-2.1 |
0.194 |
0 |
0 |
0 |
0.031 |
104 |
|
[LHG]E:203 |
4 |
1 |
952 |
◊ |
[LHG]C:203 |
x,y,z |
1_555 |
9 |
1 |
926 |
76.3 |
-2.1 |
0.196 |
0 |
0 |
0 |
0.031 |
105 |
|
[LHG]G:203 |
4 |
1 |
950 |
◊ |
[LHG]D:204 |
x,y,z |
1_555 |
9 |
1 |
929 |
75.3 |
-2.1 |
0.201 |
0 |
0 |
0 |
0.031 |
106 |
|
[LHG]J:204 |
4 |
1 |
950 |
◊ |
[LHG]G:204 |
x,y,z |
1_555 |
9 |
1 |
928 |
75.1 |
-2.1 |
0.205 |
0 |
0 |
0 |
0.031 |
107 |
|
[LHG]D:203 |
4 |
1 |
951 |
◊ |
[LHG]B:203 |
x,y,z |
1_555 |
9 |
1 |
927 |
74.8 |
-2.1 |
0.203 |
0 |
0 |
0 |
0.031 |
| Average: |
77.1 |
-2.1 |
0.203 |
0 |
0 |
0 |
0.031 |
| 24 |
108 |
|
[UMQ]J:206 |
9 |
1 |
423 |
◊ |
J |
x,y,z |
1_555 |
8 |
4 |
8135 |
76.1 |
-2.0 |
0.597 |
0 |
0 |
0 |
0.003 |
| 25 |
109 |
|
[UMQ]J:206 |
7 |
1 |
423 |
f |
I |
x,y,z |
1_555 |
6 |
3 |
8186 |
75.8 |
-5.3 |
0.379 |
0 |
0 |
0 |
0.029 |
| 26 |
110 |
|
E |
8 |
3 |
8122 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
3 |
8119 |
71.7 |
0.8 |
0.943 |
0 |
0 |
0 |
0.000 |
| 27 |
111 |
|
[UMQ]H:204 |
7 |
1 |
423 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
8107 |
58.2 |
-3.9 |
0.529 |
0 |
0 |
0 |
0.012 |
112 |
|
[UMQ]I:205 |
6 |
1 |
420 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
8122 |
55.7 |
-4.3 |
0.553 |
0 |
0 |
0 |
0.012 |
| Average: |
56.9 |
-4.1 |
0.541 |
0 |
0 |
0 |
0.012 |
| 28 |
113 |
|
[UMQ]A:206 |
9 |
1 |
420 |
◊ |
J |
x,y,z |
1_555 |
6 |
3 |
8135 |
55.6 |
-3.9 |
0.627 |
0 |
0 |
0 |
0.006 |
| 29 |
114 |
|
[UMQ]E:204 |
6 |
1 |
416 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
8124 |
48.9 |
-3.9 |
0.582 |
0 |
0 |
0 |
0.006 |
| 30 |
115 |
|
[UMQ]D:205 |
5 |
1 |
420 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
8105 |
45.5 |
-2.8 |
0.616 |
0 |
0 |
0 |
0.004 |
| 31 |
116 |
|
[UMQ]F:206 |
5 |
1 |
769 |
f |
[DCW]F:201 |
x,y,z |
1_555 |
3 |
1 |
420 |
44.3 |
-0.9 |
0.332 |
0 |
0 |
0 |
0.004 |
| 32 |
117 |
|
H |
7 |
3 |
8122 |
◊ |
J |
x-1/2,-y+1/2,-z |
4_455 |
5 |
2 |
8135 |
41.4 |
1.4 |
0.959 |
1 |
1 |
0 |
0.000 |
| 33 |
118 |
|
[LHG]G:204 |
10 |
1 |
928 |
◊ |
[LHG]F:205 |
x,y,z |
1_555 |
10 |
1 |
929 |
41.0 |
0.1 |
0.566 |
0 |
0 |
0 |
0.000 |
119 |
|
[LHG]C:205 |
10 |
1 |
926 |
◊ |
[LHG]C:203 |
x,y,z |
1_555 |
10 |
1 |
926 |
39.9 |
0.1 |
0.564 |
0 |
0 |
0 |
0.000 |
120 |
|
[LHG]D:204 |
10 |
1 |
929 |
◊ |
[LHG]C:205 |
x,y,z |
1_555 |
10 |
1 |
926 |
39.6 |
0.1 |
0.564 |
0 |
0 |
0 |
0.000 |
121 |
|
[LHG]J:203 |
10 |
1 |
922 |
◊ |
[LHG]A:203 |
x,y,z |
1_555 |
10 |
1 |
923 |
39.2 |
0.1 |
0.563 |
0 |
0 |
0 |
0.000 |
122 |
|
[LHG]B:203 |
9 |
1 |
927 |
◊ |
[LHG]A:203 |
x,y,z |
1_555 |
8 |
1 |
923 |
37.7 |
0.1 |
0.567 |
0 |
0 |
0 |
0.000 |
123 |
|
[LHG]F:205 |
9 |
1 |
929 |
◊ |
[LHG]F:203 |
x,y,z |
1_555 |
8 |
1 |
927 |
36.5 |
0.0 |
0.559 |
0 |
0 |
0 |
0.000 |
124 |
|
[LHG]I:203 |
9 |
1 |
925 |
◊ |
[LHG]G:204 |
x,y,z |
1_555 |
8 |
1 |
928 |
34.8 |
0.0 |
0.565 |
0 |
0 |
0 |
0.000 |
125 |
|
[LHG]J:203 |
8 |
1 |
922 |
◊ |
[LHG]I:203 |
x,y,z |
1_555 |
8 |
1 |
925 |
34.6 |
0.0 |
0.556 |
0 |
0 |
0 |
0.000 |
126 |
|
[LHG]C:203 |
7 |
1 |
926 |
◊ |
[LHG]B:203 |
x,y,z |
1_555 |
8 |
1 |
927 |
32.4 |
0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
127 |
|
[LHG]F:203 |
7 |
1 |
927 |
◊ |
[LHG]D:204 |
x,y,z |
1_555 |
8 |
1 |
929 |
31.4 |
0.1 |
0.555 |
0 |
0 |
0 |
0.000 |
| Average: |
36.7 |
0.1 |
0.561 |
0 |
0 |
0 |
0.000 |
| 34 |
128 |
|
[UMQ]C:206 |
3 |
1 |
740 |
f |
[DCW]C:201 |
x,y,z |
1_555 |
2 |
1 |
418 |
36.2 |
-0.4 |
0.339 |
0 |
0 |
0 |
0.002 |
| 35 |
129 |
|
[LHG]E:203 |
4 |
1 |
952 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
8105 |
29.0 |
-0.9 |
0.369 |
0 |
0 |
0 |
0.013 |
130 |
|
[LHG]H:203 |
4 |
1 |
950 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
8121 |
28.9 |
-0.9 |
0.367 |
0 |
0 |
0 |
0.013 |
131 |
|
[LHG]D:203 |
4 |
1 |
951 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8119 |
28.5 |
-0.9 |
0.370 |
0 |
0 |
0 |
0.013 |
132 |
|
[LHG]A:204 |
4 |
1 |
951 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
8186 |
28.4 |
-0.9 |
0.370 |
0 |
0 |
0 |
0.013 |
133 |
|
[LHG]B:204 |
4 |
1 |
951 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
8135 |
27.5 |
-0.9 |
0.380 |
0 |
0 |
0 |
0.013 |
134 |
|
[LHG]G:203 |
4 |
1 |
950 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
8122 |
26.5 |
-0.8 |
0.394 |
0 |
0 |
0 |
0.013 |
135 |
|
[LHG]J:204 |
4 |
1 |
950 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
8122 |
25.6 |
-0.8 |
0.405 |
0 |
0 |
0 |
0.013 |
136 |
|
[LHG]F:204 |
4 |
1 |
952 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
8124 |
25.2 |
-0.8 |
0.402 |
0 |
0 |
0 |
0.013 |
137 |
|
[LHG]I:204 |
4 |
1 |
954 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
8107 |
24.6 |
-0.8 |
0.413 |
0 |
0 |
0 |
0.013 |
138 |
|
[LHG]C:204 |
4 |
1 |
951 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8101 |
23.6 |
-0.8 |
0.419 |
0 |
0 |
0 |
0.013 |
| Average: |
26.8 |
-0.9 |
0.389 |
0 |
0 |
0 |
0.013 |
| 36 |
139 |
|
[UMQ]J:206 |
2 |
1 |
423 |
f |
[DCW]I:201 |
x,y,z |
1_555 |
4 |
1 |
418 |
26.7 |
-1.0 |
0.207 |
0 |
0 |
0 |
0.005 |
| 37 |
140 |
|
[UMQ]J:205 |
2 |
1 |
418 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
8186 |
26.2 |
-2.2 |
0.299 |
0 |
0 |
0 |
0.003 |
| 38 |
141 |
|
[UMQ]A:205 |
2 |
1 |
424 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
8135 |
23.8 |
-3.0 |
0.118 |
0 |
0 |
0 |
0.004 |
| 39 |
142 |
|
[NA]I:202 |
1 |
1 |
125 |
f |
[DCW]I:201 |
x,y,z |
1_555 |
4 |
1 |
418 |
21.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.023 |
143 |
|
[NA]E:202 |
1 |
1 |
125 |
f |
[DCW]E:201 |
x,y,z |
1_555 |
4 |
1 |
420 |
19.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.023 |
144 |
|
[NA]G:202 |
1 |
1 |
125 |
f |
[DCW]G:201 |
x,y,z |
1_555 |
4 |
1 |
419 |
19.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.023 |
145 |
|
[NA]A:202 |
1 |
1 |
125 |
f |
[DCW]A:201 |
x,y,z |
1_555 |
4 |
1 |
422 |
19.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.023 |
146 |
|
[NA]F:202 |
1 |
1 |
125 |
f |
[DCW]F:201 |
x,y,z |
1_555 |
4 |
1 |
420 |
19.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.023 |
147 |
|
[NA]D:202 |
1 |
1 |
125 |
f |
[DCW]D:201 |
x,y,z |
1_555 |
4 |
1 |
420 |
19.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.023 |
148 |
|
[NA]H:202 |
1 |
1 |
125 |
f |
[DCW]H:201 |
x,y,z |
1_555 |
4 |
1 |
420 |
19.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.023 |
149 |
|
[NA]J:202 |
1 |
1 |
125 |
f |
[DCW]J:201 |
x,y,z |
1_555 |
4 |
1 |
423 |
19.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.023 |
150 |
|
[NA]C:202 |
1 |
1 |
125 |
f |
[DCW]C:201 |
x,y,z |
1_555 |
4 |
1 |
418 |
19.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.023 |
151 |
|
[NA]B:202 |
1 |
1 |
125 |
f |
[DCW]B:201 |
x,y,z |
1_555 |
4 |
1 |
421 |
19.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
19.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.023 |
| 40 |
152 |
|
[UMQ]J:205 |
1 |
1 |
418 |
◊ |
[DCW]I:201 |
x,y,z |
1_555 |
2 |
1 |
418 |
13.4 |
-1.4 |
0.141 |
0 |
0 |
0 |
0.002 |
| 41 |
153 |
|
[UMQ]H:204 |
1 |
1 |
423 |
◊ |
[DCW]G:201 |
x,y,z |
1_555 |
1 |
1 |
419 |
9.7 |
-0.6 |
0.204 |
0 |
0 |
0 |
0.002 |
154 |
|
[UMQ]I:205 |
1 |
1 |
420 |
◊ |
[DCW]H:201 |
x,y,z |
1_555 |
1 |
1 |
420 |
8.8 |
-0.6 |
0.204 |
0 |
0 |
0 |
0.002 |
155 |
|
[UMQ]A:206 |
1 |
1 |
420 |
◊ |
[DCW]J:201 |
x,y,z |
1_555 |
1 |
1 |
423 |
5.2 |
-0.3 |
0.535 |
0 |
0 |
0 |
0.002 |
| Average: |
7.9 |
-0.5 |
0.314 |
0 |
0 |
0 |
0.002 |
| 42 |
156 |
|
[UMQ]A:205 |
1 |
1 |
424 |
◊ |
[DCW]J:201 |
x,y,z |
1_555 |
2 |
1 |
423 |
8.2 |
-0.9 |
0.467 |
0 |
0 |
0 |
0.001 |
| 43 |
157 |
|
[LHG]J:204 |
2 |
1 |
950 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8101 |
3.4 |
-0.1 |
0.586 |
0 |
0 |
0 |
0.000 |
158 |
|
[LHG]G:203 |
1 |
1 |
950 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
8122 |
3.2 |
-0.1 |
0.527 |
0 |
0 |
0 |
0.000 |
159 |
|
[LHG]F:204 |
1 |
1 |
952 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
8107 |
2.9 |
-0.1 |
0.534 |
0 |
0 |
0 |
0.000 |
160 |
|
[LHG]A:204 |
1 |
1 |
951 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8119 |
2.5 |
-0.1 |
0.545 |
0 |
0 |
0 |
0.000 |
161 |
|
[LHG]C:204 |
1 |
1 |
951 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8124 |
2.2 |
-0.1 |
0.557 |
0 |
0 |
0 |
0.000 |
162 |
|
[LHG]B:204 |
1 |
1 |
951 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8105 |
2.1 |
-0.1 |
0.558 |
0 |
0 |
0 |
0.000 |
163 |
|
[LHG]E:203 |
1 |
1 |
952 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
8121 |
1.8 |
-0.1 |
0.571 |
0 |
0 |
0 |
0.000 |
164 |
|
[LHG]D:203 |
1 |
1 |
951 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
8122 |
1.0 |
-0.0 |
0.601 |
0 |
0 |
0 |
0.000 |
165 |
|
[LHG]H:203 |
1 |
1 |
950 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
8186 |
0.7 |
-0.0 |
0.618 |
0 |
0 |
0 |
0.000 |
| Average: |
2.2 |
-0.1 |
0.566 |
0 |
0 |
0 |
0.001 |
| 44 |
166 |
|
[UMQ]F:206 |
1 |
1 |
769 |
◊ |
[UMQ]C:206 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
740 |
3.1 |
-0.1 |
0.573 |
0 |
0 |
0 |
0.000 |
| 45 |
167 |
|
F |
1 |
1 |
8121 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
8119 |
2.3 |
0.1 |
0.838 |
0 |
0 |
0 |
0.000 |
| 46 |
168 |
|
[LHG]J:204 |
1 |
1 |
950 |
◊ |
[LHG]J:203 |
x,y,z |
1_555 |
1 |
1 |
922 |
2.0 |
0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
169 |
|
[LHG]A:204 |
1 |
1 |
951 |
◊ |
[LHG]A:203 |
x,y,z |
1_555 |
1 |
1 |
923 |
2.0 |
0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
170 |
|
[LHG]F:204 |
1 |
1 |
952 |
◊ |
[LHG]F:203 |
x,y,z |
1_555 |
1 |
1 |
927 |
1.9 |
0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
171 |
|
[LHG]C:204 |
1 |
1 |
951 |
◊ |
[LHG]C:203 |
x,y,z |
1_555 |
1 |
1 |
926 |
1.9 |
0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
172 |
|
[LHG]G:203 |
1 |
1 |
950 |
◊ |
[LHG]F:205 |
x,y,z |
1_555 |
1 |
1 |
929 |
1.8 |
0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
173 |
|
[LHG]H:203 |
1 |
1 |
950 |
◊ |
[LHG]G:204 |
x,y,z |
1_555 |
1 |
1 |
928 |
1.8 |
0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
174 |
|
[LHG]E:203 |
1 |
1 |
952 |
◊ |
[LHG]D:204 |
x,y,z |
1_555 |
1 |
1 |
929 |
1.8 |
0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
175 |
|
[LHG]I:204 |
1 |
1 |
954 |
◊ |
[LHG]I:203 |
x,y,z |
1_555 |
1 |
1 |
925 |
1.7 |
0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
176 |
|
[LHG]D:203 |
1 |
1 |
951 |
◊ |
[LHG]C:205 |
x,y,z |
1_555 |
1 |
1 |
926 |
1.7 |
0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
177 |
|
[LHG]B:204 |
1 |
1 |
951 |
◊ |
[LHG]B:203 |
x,y,z |
1_555 |
1 |
1 |
927 |
1.5 |
0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
| Average: |
1.8 |
0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
|