| ## |
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 |
|
L |
211 |
57 |
11386 |
◊ |
H |
x,y,z |
1_555 |
207 |
58 |
12769 |
1817.6 |
-20.9 |
0.147 |
7 |
4 |
0 |
0.334 |
2 |
|
B |
199 |
49 |
11409 |
◊ |
A |
x,y,z |
1_555 |
193 |
55 |
12554 |
1687.4 |
-19.2 |
0.166 |
7 |
6 |
0 |
0.334 |
| Average: |
1752.5 |
-20.0 |
0.157 |
7 |
5 |
0 |
0.334 |
| 2 |
3 |
|
G |
122 |
31 |
7353 |
◊ |
J |
-x+1/2,-y,z-1/2 |
2_554 |
118 |
29 |
7521 |
1243.2 |
-13.6 |
0.184 |
10 |
1 |
0 |
0.000 |
| 3 |
4 |
|
H |
60 |
13 |
12769 |
◊ |
G |
x,y,z |
1_555 |
62 |
18 |
7353 |
571.8 |
-1.7 |
0.681 |
8 |
3 |
0 |
0.000 |
5 |
|
A |
61 |
12 |
12554 |
◊ |
J |
x,y,z |
1_555 |
68 |
16 |
7521 |
561.7 |
-2.5 |
0.653 |
6 |
2 |
0 |
0.000 |
| Average: |
566.8 |
-2.1 |
0.667 |
7 |
3 |
0 |
0.000 |
| 4 |
6 |
|
H |
54 |
21 |
12769 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
47 |
12 |
11386 |
472.9 |
-1.9 |
0.584 |
0 |
0 |
0 |
0.000 |
| 5 |
7 |
|
B |
44 |
17 |
11409 |
◊ |
H |
x,y,z |
1_555 |
42 |
14 |
12769 |
365.1 |
-0.6 |
0.681 |
0 |
0 |
0 |
0.000 |
| 6 |
8 |
|
A |
34 |
11 |
12554 |
◊ |
L |
x-1,y,z |
1_455 |
38 |
14 |
11386 |
296.9 |
-0.8 |
0.627 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
G |
17 |
9 |
7353 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
18 |
7 |
12769 |
181.6 |
-3.8 |
0.132 |
1 |
0 |
0 |
0.000 |
| 8 |
10 |
|
A |
21 |
7 |
12554 |
◊ |
L |
x-1/2,-y+1/2,-z |
4_455 |
19 |
7 |
11386 |
179.7 |
-0.3 |
0.622 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
J |
20 |
6 |
7521 |
◊ |
H |
x-1,y,z |
1_455 |
18 |
7 |
12769 |
176.9 |
0.2 |
0.585 |
0 |
0 |
0 |
0.000 |
12 |
|
A |
2 |
1 |
12554 |
◊ |
G |
x,y,z |
1_555 |
5 |
1 |
7353 |
17.8 |
0.0 |
0.647 |
0 |
0 |
0 |
0.000 |
| Average: |
97.3 |
0.1 |
0.616 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[NAG]J:1560 |
11 |
1 |
356 |
cf |
J |
x,y,z |
1_555 |
26 |
10 |
7521 |
161.0 |
4.6 |
0.590 |
1 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[NAG]J:1656 |
12 |
1 |
364 |
cf |
J |
x,y,z |
1_555 |
19 |
7 |
7521 |
157.8 |
4.3 |
0.473 |
2 |
0 |
0 |
0.000 |
15 |
|
[NAG]G:656 |
11 |
1 |
361 |
cf |
G |
x,y,z |
1_555 |
20 |
6 |
7353 |
155.0 |
4.1 |
0.498 |
1 |
0 |
0 |
0.000 |
| Average: |
156.4 |
4.2 |
0.486 |
2 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[NAG]G:560 |
11 |
1 |
362 |
cf |
G |
x,y,z |
1_555 |
23 |
8 |
7353 |
156.7 |
4.9 |
0.644 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
H |
13 |
6 |
12769 |
◊ |
G |
-x+1,y-1/2,-z-1/2 |
3_644 |
13 |
5 |
7353 |
143.4 |
-1.2 |
0.439 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
B |
17 |
6 |
11409 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
20 |
7 |
12769 |
142.5 |
2.6 |
0.872 |
1 |
0 |
0 |
0.000 |
| 15 |
19 |
|
L |
16 |
7 |
11386 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
11409 |
120.5 |
-0.2 |
0.449 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[NAG]J:1657 |
10 |
1 |
364 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
12554 |
113.7 |
2.1 |
0.327 |
0 |
0 |
0 |
0.000 |
21 |
|
[NAG]G:657 |
9 |
1 |
363 |
◊ |
H |
x,y,z |
1_555 |
15 |
4 |
12769 |
112.5 |
1.6 |
0.297 |
0 |
0 |
0 |
0.000 |
| Average: |
113.1 |
1.9 |
0.312 |
0 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[MAN]G:662 |
9 |
1 |
291 |
◊ |
H |
x,y,z |
1_555 |
14 |
4 |
12769 |
106.0 |
1.1 |
0.260 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[SO4]L:216 |
5 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
16 |
9 |
11386 |
105.2 |
-15.7 |
0.845 |
3 |
0 |
0 |
0.143 |
| 19 |
24 |
|
[NAG]J:1560 |
10 |
1 |
356 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
12554 |
103.3 |
3.0 |
0.437 |
1 |
0 |
0 |
0.000 |
| 20 |
25 |
|
A |
11 |
4 |
12554 |
◊ |
J |
-x-1/2,-y,z-1/2 |
2_454 |
9 |
5 |
7521 |
102.1 |
-1.4 |
0.355 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[NAG]G:560 |
10 |
1 |
362 |
◊ |
H |
x,y,z |
1_555 |
14 |
4 |
12769 |
99.5 |
2.2 |
0.356 |
2 |
0 |
0 |
0.000 |
| 22 |
27 |
|
A |
13 |
5 |
12554 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
12 |
4 |
12769 |
99.4 |
-1.3 |
0.432 |
0 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[MAN]G:565 |
8 |
1 |
285 |
◊ |
L |
x,y,z |
1_555 |
13 |
4 |
11386 |
95.7 |
2.6 |
0.460 |
0 |
0 |
0 |
0.000 |
29 |
|
[MAN]J:1565 |
8 |
1 |
288 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
11409 |
94.5 |
2.5 |
0.502 |
0 |
0 |
0 |
0.000 |
| Average: |
95.1 |
2.5 |
0.481 |
0 |
0 |
0 |
0.000 |
| 24 |
30 |
|
[SO4]L:218 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
18 |
8 |
11386 |
95.4 |
-13.7 |
0.783 |
1 |
0 |
0 |
0.119 |
| 25 |
31 |
|
[SO4]G:15 |
5 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
15 |
7 |
7353 |
94.3 |
-14.0 |
0.723 |
0 |
0 |
0 |
0.000 |
| 26 |
32 |
|
B |
10 |
5 |
11409 |
◊ |
L |
x-1,y,z |
1_455 |
11 |
5 |
11386 |
93.8 |
0.5 |
0.651 |
0 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[MAN]G:566 |
7 |
1 |
290 |
◊ |
L |
x,y,z |
1_555 |
16 |
5 |
11386 |
87.3 |
1.8 |
0.392 |
0 |
0 |
0 |
0.000 |
34 |
|
[MAN]J:1566 |
8 |
1 |
291 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
11409 |
84.6 |
2.0 |
0.377 |
0 |
0 |
0 |
0.000 |
| Average: |
86.0 |
1.9 |
0.385 |
0 |
0 |
0 |
0.000 |
| 28 |
35 |
|
[MAN]J:1566 |
10 |
1 |
291 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
12554 |
86.8 |
0.4 |
0.172 |
1 |
0 |
0 |
0.000 |
36 |
|
[MAN]G:566 |
10 |
1 |
290 |
◊ |
H |
x,y,z |
1_555 |
11 |
3 |
12769 |
85.4 |
0.5 |
0.169 |
1 |
0 |
0 |
0.000 |
| Average: |
86.1 |
0.4 |
0.170 |
1 |
0 |
0 |
0.000 |
| 29 |
37 |
|
[SO4]L:217 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
10 |
6 |
11386 |
86.5 |
-12.4 |
0.793 |
2 |
0 |
0 |
0.112 |
| 30 |
38 |
|
[SO4]B:216 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
11409 |
86.2 |
-11.6 |
0.798 |
0 |
0 |
0 |
0.168 |
| 31 |
39 |
|
[SO4]B:213 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
11409 |
80.2 |
-10.9 |
0.829 |
1 |
0 |
0 |
0.163 |
| 32 |
40 |
|
[SO4]L:215 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
9 |
5 |
11386 |
80.2 |
-10.9 |
0.835 |
1 |
0 |
0 |
0.096 |
| 33 |
41 |
|
[NAG]G:561 |
5 |
1 |
363 |
◊ |
H |
x,y,z |
1_555 |
15 |
3 |
12769 |
78.2 |
2.4 |
0.609 |
0 |
0 |
0 |
0.000 |
42 |
|
[NAG]J:1561 |
5 |
1 |
365 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
12554 |
76.5 |
2.5 |
0.638 |
0 |
0 |
0 |
0.000 |
| Average: |
77.3 |
2.5 |
0.623 |
0 |
0 |
0 |
0.000 |
| 34 |
43 |
|
[SO4]B:215 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
11409 |
77.4 |
-10.5 |
0.795 |
1 |
0 |
0 |
0.158 |
| 35 |
44 |
|
[MAN]A:1659 |
6 |
1 |
289 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
12554 |
76.9 |
1.2 |
0.321 |
2 |
0 |
0 |
0.000 |
| 36 |
45 |
|
[SO4]L:213 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
9 |
4 |
11386 |
76.7 |
-9.8 |
0.833 |
1 |
0 |
0 |
0.086 |
| 37 |
46 |
|
[MAN]G:659 |
6 |
1 |
288 |
◊ |
H |
x,y,z |
1_555 |
12 |
5 |
12769 |
75.7 |
1.4 |
0.328 |
3 |
0 |
0 |
0.000 |
| 38 |
47 |
|
[NAG]J:1657 |
9 |
1 |
364 |
cf |
[NAG]J:1656 |
x,y,z |
1_555 |
6 |
1 |
364 |
72.2 |
1.5 |
0.090 |
0 |
0 |
0 |
0.000 |
48 |
|
[NAG]G:657 |
9 |
1 |
363 |
cf |
[NAG]G:656 |
x,y,z |
1_555 |
6 |
1 |
361 |
69.7 |
1.2 |
0.086 |
0 |
0 |
0 |
0.000 |
| Average: |
71.0 |
1.3 |
0.088 |
0 |
0 |
0 |
0.000 |
| 39 |
49 |
|
[NAG]J:1561 |
10 |
1 |
365 |
cf |
[NAG]J:1560 |
x,y,z |
1_555 |
7 |
1 |
356 |
70.4 |
1.6 |
0.076 |
0 |
0 |
0 |
0.000 |
| 40 |
50 |
|
[NAG]G:561 |
9 |
1 |
363 |
cf |
[NAG]G:560 |
x,y,z |
1_555 |
6 |
1 |
362 |
68.4 |
1.6 |
0.092 |
0 |
0 |
0 |
0.000 |
| 41 |
51 |
|
H |
15 |
7 |
12769 |
f |
[SO4]L:214 |
x-1/2,-y-1/2,-z |
4_445 |
5 |
1 |
184 |
68.3 |
-10.1 |
0.828 |
2 |
0 |
0 |
0.100 |
| 42 |
52 |
|
[MAN]G:565 |
5 |
1 |
285 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
12769 |
64.1 |
0.3 |
0.279 |
0 |
0 |
0 |
0.000 |
53 |
|
[MAN]J:1565 |
7 |
1 |
288 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
12554 |
62.0 |
0.3 |
0.223 |
0 |
0 |
0 |
0.000 |
| Average: |
63.1 |
0.3 |
0.251 |
0 |
0 |
0 |
0.000 |
| 43 |
54 |
|
[BMA]G:562 |
5 |
1 |
287 |
cf |
[NAG]G:561 |
x,y,z |
1_555 |
6 |
1 |
363 |
62.5 |
1.2 |
0.154 |
1 |
0 |
0 |
0.000 |
55 |
|
[BMA]J:1562 |
7 |
1 |
288 |
cf |
[NAG]J:1561 |
x,y,z |
1_555 |
5 |
1 |
365 |
62.4 |
1.4 |
0.114 |
1 |
0 |
0 |
0.000 |
| Average: |
62.5 |
1.3 |
0.134 |
1 |
0 |
0 |
0.000 |
| 44 |
56 |
|
[SO4]L:12 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
8 |
5 |
11386 |
61.9 |
-8.0 |
0.751 |
0 |
0 |
0 |
0.067 |
| 45 |
57 |
|
[MAN]G:659 |
6 |
1 |
288 |
cf |
[BMA]G:658 |
x,y,z |
1_555 |
5 |
1 |
289 |
60.8 |
2.7 |
0.242 |
1 |
0 |
0 |
0.000 |
58 |
|
[MAN]A:1659 |
6 |
1 |
289 |
cf |
[BMA]A:1658 |
x,y,z |
1_555 |
5 |
1 |
289 |
60.2 |
2.6 |
0.260 |
1 |
0 |
0 |
0.000 |
59 |
|
[MAN]G:563 |
8 |
1 |
289 |
cf |
[BMA]G:562 |
x,y,z |
1_555 |
5 |
1 |
287 |
56.6 |
2.3 |
0.205 |
0 |
0 |
0 |
0.000 |
| Average: |
59.2 |
2.5 |
0.236 |
1 |
0 |
0 |
0.000 |
| 46 |
60 |
|
[BMA]G:658 |
6 |
1 |
289 |
cf |
[NAG]G:657 |
x,y,z |
1_555 |
5 |
1 |
363 |
60.2 |
1.3 |
0.127 |
0 |
0 |
0 |
0.000 |
| 47 |
61 |
|
[MAN]J:1565 |
7 |
1 |
288 |
cf |
[MAN]J:1564 |
x,y,z |
1_555 |
5 |
1 |
288 |
58.8 |
2.4 |
0.247 |
0 |
0 |
0 |
0.000 |
62 |
|
[MAN]G:565 |
7 |
1 |
285 |
cf |
[MAN]G:564 |
x,y,z |
1_555 |
5 |
1 |
287 |
56.9 |
2.3 |
0.245 |
0 |
0 |
0 |
0.000 |
| Average: |
57.9 |
2.3 |
0.246 |
0 |
0 |
0 |
0.000 |
| 48 |
63 |
|
[BMA]A:1658 |
5 |
1 |
289 |
cf |
[NAG]J:1657 |
x,y,z |
1_555 |
6 |
1 |
364 |
58.2 |
1.4 |
0.133 |
0 |
0 |
0 |
0.000 |
| 49 |
64 |
|
[MAN]G:662 |
6 |
1 |
291 |
cf |
[MAN]G:660 |
x,y,z |
1_555 |
5 |
1 |
289 |
58.1 |
2.4 |
0.268 |
1 |
0 |
0 |
0.000 |
| 50 |
65 |
|
[MAN]G:660 |
7 |
1 |
289 |
cf |
[BMA]G:658 |
x,y,z |
1_555 |
3 |
1 |
289 |
57.7 |
2.9 |
0.355 |
0 |
0 |
0 |
0.000 |
| 51 |
66 |
|
[MAN]J:1563 |
6 |
1 |
288 |
cf |
[BMA]J:1562 |
x,y,z |
1_555 |
5 |
1 |
288 |
57.4 |
2.1 |
0.230 |
0 |
0 |
0 |
0.000 |
| 52 |
67 |
|
[MAN]J:1566 |
7 |
1 |
291 |
cf |
[MAN]J:1564 |
x,y,z |
1_555 |
5 |
1 |
288 |
56.9 |
2.3 |
0.249 |
1 |
0 |
0 |
0.000 |
68 |
|
[MAN]G:566 |
7 |
1 |
290 |
cf |
[MAN]G:564 |
x,y,z |
1_555 |
5 |
1 |
287 |
56.2 |
2.2 |
0.258 |
1 |
0 |
0 |
0.000 |
| Average: |
56.6 |
2.2 |
0.254 |
1 |
0 |
0 |
0.000 |
| 53 |
69 |
|
[SO4]B:214 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
11409 |
55.9 |
-7.2 |
0.792 |
1 |
0 |
0 |
0.110 |
| 54 |
70 |
|
B |
6 |
3 |
11409 |
◊ |
G |
x,y,z |
1_555 |
10 |
3 |
7353 |
55.8 |
-0.0 |
0.565 |
0 |
1 |
0 |
0.000 |
71 |
|
J |
7 |
4 |
7521 |
◊ |
L |
x-1,y,z |
1_455 |
7 |
3 |
11386 |
50.0 |
0.3 |
0.664 |
0 |
1 |
0 |
0.000 |
| Average: |
52.9 |
0.1 |
0.614 |
0 |
1 |
0 |
0.000 |
| 55 |
72 |
|
[MAN]J:1564 |
5 |
1 |
288 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
11409 |
52.4 |
0.3 |
0.254 |
0 |
0 |
0 |
0.000 |
73 |
|
[MAN]G:564 |
6 |
1 |
287 |
◊ |
L |
x,y,z |
1_555 |
7 |
4 |
11386 |
51.7 |
0.2 |
0.216 |
0 |
0 |
0 |
0.000 |
| Average: |
52.1 |
0.3 |
0.235 |
0 |
0 |
0 |
0.000 |
| 56 |
74 |
|
[MAN]G:564 |
6 |
1 |
287 |
cf |
[BMA]G:562 |
x,y,z |
1_555 |
3 |
1 |
287 |
50.0 |
2.2 |
0.339 |
0 |
0 |
0 |
0.000 |
75 |
|
[MAN]J:1564 |
6 |
1 |
288 |
cf |
[BMA]J:1562 |
x,y,z |
1_555 |
3 |
1 |
288 |
49.2 |
2.1 |
0.294 |
0 |
0 |
0 |
0.000 |
| Average: |
49.6 |
2.1 |
0.317 |
0 |
0 |
0 |
0.000 |
| 57 |
76 |
|
B |
4 |
2 |
11409 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
7 |
3 |
11386 |
47.7 |
-0.2 |
0.552 |
0 |
0 |
0 |
0.000 |
| 58 |
77 |
|
A |
7 |
2 |
12554 |
◊ |
[SO4]L:217 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
185 |
46.1 |
-5.7 |
0.745 |
0 |
0 |
0 |
0.000 |
| 59 |
78 |
|
[MAN]G:564 |
6 |
1 |
287 |
f |
[NAG]G:561 |
x,y,z |
1_555 |
6 |
1 |
363 |
43.9 |
1.4 |
0.171 |
0 |
0 |
0 |
0.000 |
| 60 |
79 |
|
[SO4]B:214 |
4 |
1 |
185 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
5 |
3 |
11386 |
43.6 |
-5.3 |
0.770 |
0 |
0 |
0 |
0.000 |
| 61 |
80 |
|
[MAN]J:1566 |
3 |
1 |
291 |
f |
[NAG]J:1561 |
x,y,z |
1_555 |
4 |
1 |
365 |
43.4 |
2.1 |
0.376 |
0 |
0 |
0 |
0.000 |
81 |
|
[MAN]G:566 |
3 |
1 |
290 |
f |
[NAG]G:561 |
x,y,z |
1_555 |
4 |
1 |
363 |
41.8 |
2.0 |
0.374 |
0 |
0 |
0 |
0.000 |
| Average: |
42.6 |
2.1 |
0.375 |
0 |
0 |
0 |
0.000 |
| 62 |
82 |
|
[BMA]G:658 |
5 |
1 |
289 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
12769 |
42.9 |
0.6 |
0.277 |
0 |
0 |
0 |
0.000 |
| 63 |
83 |
|
[SO4]L:218 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
12769 |
42.7 |
-5.3 |
0.754 |
0 |
0 |
0 |
0.045 |
| 64 |
84 |
|
[SO4]L:214 |
4 |
1 |
184 |
◊ |
L |
x,y,z |
1_555 |
7 |
2 |
11386 |
42.0 |
-4.5 |
0.920 |
1 |
0 |
0 |
0.000 |
| 65 |
85 |
|
[MAN]J:1564 |
6 |
1 |
288 |
f |
[NAG]J:1561 |
x,y,z |
1_555 |
6 |
1 |
365 |
41.5 |
1.4 |
0.146 |
0 |
0 |
0 |
0.000 |
| 66 |
86 |
|
[NAG]G:561 |
3 |
1 |
363 |
f |
G |
x,y,z |
1_555 |
5 |
1 |
7353 |
39.9 |
0.9 |
0.442 |
0 |
0 |
0 |
0.000 |
87 |
|
[NAG]J:1561 |
4 |
1 |
365 |
f |
J |
x,y,z |
1_555 |
5 |
1 |
7521 |
36.6 |
0.6 |
0.267 |
0 |
0 |
0 |
0.000 |
| Average: |
38.3 |
0.7 |
0.354 |
0 |
0 |
0 |
0.000 |
| 67 |
88 |
|
[NAG]G:657 |
4 |
1 |
363 |
f |
G |
x,y,z |
1_555 |
5 |
2 |
7353 |
38.3 |
0.4 |
0.281 |
0 |
0 |
0 |
0.000 |
89 |
|
[NAG]J:1657 |
5 |
1 |
364 |
f |
J |
x,y,z |
1_555 |
4 |
1 |
7521 |
35.8 |
0.4 |
0.246 |
0 |
0 |
0 |
0.000 |
| Average: |
37.1 |
0.4 |
0.263 |
0 |
0 |
0 |
0.000 |
| 68 |
90 |
|
[BMA]A:1658 |
4 |
1 |
289 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
12554 |
37.8 |
0.6 |
0.378 |
0 |
0 |
0 |
0.000 |
| 69 |
91 |
|
[NAG]G:656 |
2 |
1 |
361 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
12769 |
35.1 |
0.6 |
0.503 |
0 |
0 |
0 |
0.000 |
92 |
|
[NAG]J:1656 |
2 |
1 |
364 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
12554 |
32.9 |
0.5 |
0.476 |
0 |
0 |
0 |
0.000 |
| Average: |
34.0 |
0.5 |
0.490 |
0 |
0 |
0 |
0.000 |
| 70 |
93 |
|
[SO4]B:216 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
12554 |
34.9 |
-4.8 |
0.739 |
0 |
0 |
0 |
0.069 |
| 71 |
94 |
|
[MAN]G:564 |
5 |
1 |
287 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
12769 |
32.5 |
0.2 |
0.248 |
0 |
0 |
0 |
0.000 |
95 |
|
[MAN]J:1564 |
5 |
1 |
288 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
12554 |
30.5 |
0.2 |
0.249 |
0 |
0 |
0 |
0.000 |
| Average: |
31.5 |
0.2 |
0.249 |
0 |
0 |
0 |
0.000 |
| 72 |
96 |
|
[SO4]L:12 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
12769 |
31.6 |
-3.7 |
0.525 |
0 |
0 |
0 |
0.031 |
| 73 |
97 |
|
[MAN]G:565 |
2 |
1 |
285 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11409 |
28.7 |
0.3 |
0.315 |
0 |
0 |
0 |
0.000 |
98 |
|
[MAN]J:1565 |
1 |
1 |
288 |
◊ |
L |
x-1,y,z |
1_455 |
2 |
1 |
11386 |
9.9 |
0.2 |
0.353 |
0 |
0 |
0 |
0.000 |
| Average: |
19.3 |
0.2 |
0.334 |
0 |
0 |
0 |
0.000 |
| 74 |
99 |
|
[MAN]A:1659 |
4 |
1 |
289 |
f |
[NAG]J:1657 |
x,y,z |
1_555 |
4 |
1 |
364 |
27.2 |
0.5 |
0.115 |
0 |
0 |
0 |
0.000 |
| 75 |
100 |
|
[SO4]G:15 |
1 |
1 |
184 |
◊ |
J |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
7521 |
25.7 |
-2.9 |
0.799 |
0 |
0 |
0 |
0.000 |
| 76 |
101 |
|
B |
2 |
1 |
11409 |
◊ |
[SO4]L:215 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
18.7 |
-2.0 |
0.666 |
0 |
0 |
0 |
0.000 |
| 77 |
102 |
|
[SO4]B:213 |
1 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
12769 |
18.2 |
-2.5 |
0.333 |
0 |
0 |
0 |
0.000 |
| 78 |
103 |
|
[MAN]G:662 |
1 |
1 |
291 |
f |
[BMA]G:658 |
x,y,z |
1_555 |
2 |
1 |
289 |
17.1 |
1.0 |
0.452 |
0 |
0 |
0 |
0.000 |
| 79 |
104 |
|
[MAN]G:660 |
2 |
1 |
289 |
f |
[NAG]G:657 |
x,y,z |
1_555 |
2 |
1 |
363 |
15.2 |
0.7 |
0.243 |
0 |
0 |
0 |
0.000 |
| 80 |
105 |
|
[MAN]G:566 |
3 |
1 |
290 |
f |
[BMA]G:562 |
x,y,z |
1_555 |
1 |
1 |
287 |
13.4 |
0.4 |
0.219 |
0 |
0 |
0 |
0.000 |
106 |
|
[MAN]J:1566 |
3 |
1 |
291 |
f |
[BMA]J:1562 |
x,y,z |
1_555 |
1 |
1 |
288 |
12.8 |
0.4 |
0.219 |
0 |
0 |
0 |
0.000 |
| Average: |
13.1 |
0.4 |
0.219 |
0 |
0 |
0 |
0.000 |
| 81 |
107 |
|
A |
2 |
1 |
12554 |
◊ |
H |
x-1,y,z |
1_455 |
1 |
1 |
12769 |
12.5 |
0.6 |
0.858 |
0 |
0 |
0 |
0.000 |
| 82 |
108 |
|
[MAN]J:1563 |
2 |
1 |
288 |
f |
[NAG]J:1561 |
x,y,z |
1_555 |
2 |
1 |
365 |
11.9 |
0.0 |
0.232 |
0 |
0 |
0 |
0.000 |
| 83 |
109 |
|
A |
2 |
1 |
12554 |
◊ |
[SO4]L:215 |
x-1,y,z |
1_455 |
1 |
1 |
185 |
11.0 |
-1.0 |
0.851 |
0 |
0 |
0 |
0.000 |
| 84 |
110 |
|
[MAN]G:660 |
2 |
1 |
289 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
12769 |
10.9 |
0.3 |
0.405 |
0 |
0 |
0 |
0.000 |
| 85 |
111 |
|
A |
1 |
1 |
12554 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
12769 |
10.2 |
0.0 |
0.452 |
0 |
0 |
0 |
0.000 |
| 86 |
112 |
|
[BMA]A:1658 |
1 |
1 |
289 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
11409 |
9.0 |
0.2 |
0.349 |
0 |
0 |
0 |
0.000 |
| 87 |
113 |
|
[BMA]J:1562 |
2 |
1 |
288 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11409 |
8.2 |
0.1 |
0.322 |
0 |
0 |
0 |
0.000 |
114 |
|
[BMA]G:562 |
2 |
1 |
287 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
11386 |
8.0 |
0.1 |
0.322 |
0 |
0 |
0 |
0.000 |
| Average: |
8.1 |
0.1 |
0.322 |
0 |
0 |
0 |
0.000 |
| 88 |
115 |
|
[MAN]G:563 |
1 |
1 |
289 |
f |
[NAG]G:561 |
x,y,z |
1_555 |
2 |
1 |
363 |
7.9 |
0.2 |
0.272 |
0 |
0 |
0 |
0.000 |
| 89 |
116 |
|
H |
1 |
1 |
12769 |
x |
H |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
12769 |
7.9 |
0.5 |
0.865 |
0 |
0 |
0 |
0.000 |
| 90 |
117 |
|
[MAN]G:659 |
1 |
1 |
288 |
f |
[NAG]G:657 |
x,y,z |
1_555 |
2 |
1 |
363 |
6.1 |
0.1 |
0.193 |
0 |
0 |
0 |
0.000 |
| 91 |
118 |
|
[MAN]G:662 |
1 |
1 |
291 |
f |
[NAG]G:657 |
x,y,z |
1_555 |
1 |
1 |
363 |
0.4 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
|