| ## |
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 |
|
D |
75 |
23 |
8273 |
◊ |
B |
x-1,y,z |
1_455 |
81 |
22 |
7256 |
750.1 |
-10.2 |
0.074 |
7 |
0 |
0 |
0.218 |
| 2 |
2 |
|
F |
57 |
15 |
7803 |
◊ |
C |
x,y,z |
1_555 |
54 |
15 |
7267 |
509.3 |
0.5 |
0.648 |
5 |
1 |
0 |
0.000 |
3 |
|
E |
56 |
14 |
7311 |
◊ |
A |
x,y,z |
1_555 |
53 |
16 |
7912 |
508.7 |
2.5 |
0.785 |
6 |
1 |
0 |
0.000 |
4 |
|
L |
58 |
15 |
7359 |
◊ |
B |
x,y,z |
1_555 |
51 |
16 |
7256 |
500.5 |
1.8 |
0.748 |
3 |
0 |
0 |
0.000 |
5 |
|
G |
55 |
16 |
7260 |
◊ |
I |
x-1,y-1,z |
1_445 |
56 |
15 |
7384 |
484.1 |
1.8 |
0.724 |
4 |
0 |
0 |
0.000 |
6 |
|
D |
58 |
15 |
8273 |
◊ |
K |
x-1,y-1,z |
1_445 |
52 |
17 |
7284 |
479.7 |
1.5 |
0.742 |
3 |
0 |
0 |
0.000 |
7 |
|
J |
58 |
16 |
7250 |
◊ |
H |
x,y,z |
1_555 |
58 |
15 |
7105 |
461.5 |
0.3 |
0.626 |
2 |
1 |
0 |
0.000 |
| Average: |
490.6 |
1.4 |
0.712 |
4 |
1 |
0 |
0.000 |
| 3 |
8 |
|
D |
50 |
20 |
8273 |
◊ |
C |
x,y,z |
1_555 |
47 |
15 |
7267 |
446.4 |
-0.9 |
0.541 |
1 |
0 |
0 |
0.000 |
9 |
|
G |
46 |
16 |
7260 |
◊ |
E |
x,y,z |
1_555 |
45 |
16 |
7311 |
382.7 |
2.2 |
0.754 |
3 |
0 |
0 |
0.000 |
10 |
|
L |
38 |
14 |
7359 |
◊ |
K |
x,y,z |
1_555 |
40 |
14 |
7284 |
302.2 |
2.2 |
0.773 |
2 |
0 |
0 |
0.000 |
11 |
|
B |
43 |
15 |
7256 |
◊ |
A |
x,y,z |
1_555 |
39 |
14 |
7912 |
289.4 |
2.7 |
0.829 |
1 |
0 |
0 |
0.000 |
12 |
|
J |
40 |
13 |
7250 |
◊ |
I |
x,y,z |
1_555 |
37 |
13 |
7384 |
268.2 |
2.0 |
0.748 |
1 |
0 |
0 |
0.000 |
| Average: |
337.8 |
1.6 |
0.729 |
2 |
0 |
0 |
0.000 |
| 4 |
13 |
|
H |
51 |
18 |
7105 |
◊ |
F |
x,y,z |
1_555 |
53 |
17 |
7803 |
423.2 |
-0.1 |
0.616 |
1 |
0 |
0 |
0.000 |
| 5 |
14 |
|
C |
46 |
14 |
7267 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
42 |
11 |
7912 |
413.8 |
-7.1 |
0.063 |
7 |
0 |
0 |
0.020 |
15 |
|
E |
40 |
12 |
7311 |
◊ |
F |
-x+1,y-1/2,-z+5/2 |
3_647 |
40 |
11 |
7803 |
398.8 |
-6.9 |
0.054 |
5 |
0 |
0 |
0.020 |
| Average: |
406.3 |
-7.0 |
0.059 |
6 |
0 |
0 |
0.020 |
| 6 |
16 |
|
K |
37 |
9 |
7284 |
◊ |
I |
x,y,z |
1_555 |
36 |
9 |
7384 |
327.4 |
5.3 |
0.922 |
5 |
0 |
0 |
0.000 |
17 |
|
E |
36 |
9 |
7311 |
◊ |
C |
x,y,z |
1_555 |
37 |
9 |
7267 |
312.8 |
3.7 |
0.861 |
6 |
0 |
0 |
0.000 |
18 |
|
F |
36 |
9 |
7803 |
◊ |
A |
x,y,z |
1_555 |
33 |
8 |
7912 |
302.4 |
3.8 |
0.898 |
2 |
0 |
0 |
0.000 |
19 |
|
G |
34 |
9 |
7260 |
◊ |
D |
x,y,z |
1_555 |
34 |
9 |
8273 |
299.6 |
4.7 |
0.921 |
3 |
0 |
0 |
0.000 |
20 |
|
L |
33 |
9 |
7359 |
◊ |
J |
x,y,z |
1_555 |
37 |
9 |
7250 |
298.7 |
4.5 |
0.902 |
4 |
0 |
0 |
0.000 |
21 |
|
H |
34 |
9 |
7105 |
◊ |
B |
x,y,z |
1_555 |
39 |
9 |
7256 |
295.1 |
4.3 |
0.899 |
2 |
1 |
0 |
0.000 |
| Average: |
306.0 |
4.4 |
0.900 |
4 |
0 |
0 |
0.000 |
| 7 |
22 |
|
[LAT]I:301 |
19 |
1 |
474 |
f |
I |
x,y,z |
1_555 |
26 |
10 |
7384 |
186.3 |
1.2 |
0.444 |
8 |
0 |
0 |
0.100 |
23 |
|
[LAT]B:301 |
17 |
1 |
471 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
7256 |
184.9 |
0.8 |
0.428 |
8 |
0 |
0 |
0.100 |
24 |
|
[LAT]H:301 |
18 |
1 |
473 |
f |
H |
x,y,z |
1_555 |
24 |
10 |
7105 |
184.6 |
1.2 |
0.490 |
9 |
0 |
0 |
0.100 |
25 |
|
[LAT]J:301 |
19 |
1 |
472 |
f |
J |
x,y,z |
1_555 |
24 |
10 |
7250 |
183.6 |
-0.2 |
0.289 |
8 |
0 |
0 |
0.100 |
26 |
|
[LAT]D:301 |
18 |
1 |
471 |
f |
D |
x,y,z |
1_555 |
26 |
10 |
8273 |
183.5 |
1.2 |
0.469 |
9 |
0 |
0 |
0.100 |
27 |
|
[LAT]C:301 |
18 |
1 |
471 |
f |
C |
x,y,z |
1_555 |
25 |
10 |
7267 |
183.1 |
1.2 |
0.487 |
9 |
0 |
0 |
0.100 |
28 |
|
[LAT]A:301 |
18 |
1 |
472 |
f |
A |
x,y,z |
1_555 |
25 |
10 |
7912 |
182.8 |
0.9 |
0.477 |
9 |
0 |
0 |
0.100 |
29 |
|
[LAT]G:301 |
18 |
1 |
472 |
f |
G |
x,y,z |
1_555 |
24 |
10 |
7260 |
181.5 |
1.3 |
0.486 |
9 |
0 |
0 |
0.100 |
30 |
|
[LAT]L:301 |
18 |
1 |
474 |
f |
L |
x,y,z |
1_555 |
25 |
10 |
7359 |
181.4 |
1.2 |
0.459 |
8 |
0 |
0 |
0.100 |
31 |
|
[LAT]K:301 |
19 |
1 |
471 |
f |
K |
x,y,z |
1_555 |
25 |
10 |
7284 |
181.1 |
1.8 |
0.525 |
8 |
0 |
0 |
0.100 |
32 |
|
[LAT]E:301 |
18 |
1 |
469 |
f |
E |
x,y,z |
1_555 |
25 |
10 |
7311 |
180.6 |
1.4 |
0.480 |
8 |
0 |
0 |
0.100 |
33 |
|
[LAT]F:301 |
17 |
1 |
472 |
f |
F |
x,y,z |
1_555 |
24 |
10 |
7803 |
179.9 |
1.8 |
0.572 |
8 |
0 |
0 |
0.100 |
| Average: |
182.8 |
1.2 |
0.467 |
8 |
0 |
0 |
0.100 |
| 8 |
34 |
|
G |
24 |
10 |
7260 |
◊ |
H |
x,y-1,z |
1_545 |
18 |
5 |
7105 |
167.3 |
-0.8 |
0.459 |
1 |
0 |
0 |
0.000 |
| 9 |
35 |
|
G |
18 |
7 |
7260 |
◊ |
K |
x-1,y-1,z |
1_445 |
18 |
6 |
7284 |
147.5 |
1.2 |
0.710 |
0 |
0 |
0 |
0.000 |
36 |
|
C |
18 |
7 |
7267 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
7912 |
144.7 |
-0.0 |
0.589 |
0 |
0 |
0 |
0.000 |
37 |
|
F |
18 |
6 |
7803 |
◊ |
E |
x,y,z |
1_555 |
15 |
7 |
7311 |
118.7 |
0.1 |
0.556 |
0 |
0 |
0 |
0.000 |
38 |
|
J |
12 |
6 |
7250 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
7256 |
106.5 |
0.4 |
0.616 |
0 |
0 |
0 |
0.000 |
39 |
|
L |
13 |
6 |
7359 |
◊ |
H |
x,y,z |
1_555 |
12 |
6 |
7105 |
92.5 |
-0.9 |
0.394 |
0 |
0 |
0 |
0.000 |
40 |
|
D |
12 |
5 |
8273 |
◊ |
I |
x-1,y-1,z |
1_445 |
11 |
5 |
7384 |
91.2 |
0.0 |
0.590 |
0 |
0 |
0 |
0.000 |
| Average: |
116.9 |
0.1 |
0.576 |
0 |
0 |
0 |
0.000 |
| 10 |
41 |
|
H |
19 |
6 |
7105 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
7912 |
139.9 |
-0.2 |
0.561 |
0 |
0 |
0 |
0.000 |
42 |
|
L |
17 |
6 |
7359 |
◊ |
I |
x,y,z |
1_555 |
18 |
6 |
7384 |
134.3 |
0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
43 |
|
K |
15 |
5 |
7284 |
◊ |
J |
x,y,z |
1_555 |
17 |
6 |
7250 |
132.5 |
0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
44 |
|
G |
16 |
6 |
7260 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
7267 |
126.2 |
-0.2 |
0.545 |
0 |
0 |
0 |
0.000 |
45 |
|
F |
16 |
6 |
7803 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
7256 |
123.9 |
-0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
46 |
|
E |
17 |
6 |
7311 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
8273 |
123.2 |
-0.0 |
0.593 |
0 |
0 |
0 |
0.000 |
| Average: |
130.0 |
-0.1 |
0.580 |
0 |
0 |
0 |
0.000 |
| 11 |
47 |
|
[LAT]C:301 |
13 |
1 |
471 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
8273 |
105.3 |
2.7 |
0.685 |
2 |
0 |
0 |
0.000 |
48 |
|
[LAT]I:301 |
13 |
1 |
474 |
◊ |
J |
x,y,z |
1_555 |
13 |
4 |
7250 |
105.1 |
2.5 |
0.618 |
1 |
0 |
0 |
0.000 |
49 |
|
[LAT]F:301 |
12 |
1 |
472 |
◊ |
H |
x,y,z |
1_555 |
13 |
4 |
7105 |
103.8 |
2.3 |
0.667 |
1 |
0 |
0 |
0.000 |
50 |
|
[LAT]K:301 |
12 |
1 |
471 |
◊ |
L |
x,y,z |
1_555 |
14 |
4 |
7359 |
102.8 |
2.3 |
0.631 |
1 |
0 |
0 |
0.000 |
51 |
|
[LAT]L:301 |
11 |
1 |
474 |
◊ |
K |
x,y,z |
1_555 |
11 |
4 |
7284 |
102.8 |
2.6 |
0.658 |
1 |
0 |
0 |
0.000 |
52 |
|
[LAT]H:301 |
13 |
1 |
473 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
7803 |
102.6 |
2.4 |
0.675 |
1 |
0 |
0 |
0.000 |
53 |
|
[LAT]E:301 |
11 |
1 |
469 |
◊ |
G |
x,y,z |
1_555 |
12 |
4 |
7260 |
102.3 |
2.4 |
0.663 |
1 |
0 |
0 |
0.000 |
54 |
|
[LAT]G:301 |
12 |
1 |
472 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
7311 |
102.1 |
2.6 |
0.676 |
2 |
0 |
0 |
0.000 |
55 |
|
[LAT]A:301 |
12 |
1 |
472 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
7256 |
101.6 |
2.4 |
0.683 |
1 |
0 |
0 |
0.000 |
56 |
|
[LAT]D:301 |
11 |
1 |
471 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
7267 |
101.1 |
2.3 |
0.632 |
1 |
0 |
0 |
0.000 |
57 |
|
[LAT]J:301 |
11 |
1 |
472 |
◊ |
I |
x,y,z |
1_555 |
12 |
4 |
7384 |
100.7 |
2.2 |
0.662 |
1 |
0 |
0 |
0.000 |
58 |
|
[LAT]B:301 |
11 |
1 |
471 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
7912 |
99.7 |
2.4 |
0.673 |
1 |
0 |
0 |
0.000 |
| Average: |
102.5 |
2.4 |
0.660 |
1 |
0 |
0 |
0.000 |
| 12 |
59 |
|
[SO4]D:302 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
8273 |
99.3 |
-14.5 |
0.860 |
4 |
0 |
0 |
0.268 |
| 13 |
60 |
|
[SO4]H:303 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
14 |
6 |
7105 |
98.5 |
-14.7 |
0.809 |
5 |
0 |
0 |
0.034 |
| 14 |
61 |
|
E |
8 |
2 |
7311 |
◊ |
H |
-x+1,y-1/2,-z+5/2 |
3_647 |
13 |
4 |
7105 |
98.0 |
0.6 |
0.442 |
0 |
1 |
0 |
0.000 |
| 15 |
62 |
|
[SO4]K:303 |
5 |
1 |
187 |
f |
K |
x,y,z |
1_555 |
12 |
6 |
7284 |
95.9 |
-15.4 |
0.716 |
4 |
0 |
0 |
0.035 |
| 16 |
63 |
|
[SO4]L:302 |
5 |
1 |
187 |
f |
L |
x,y,z |
1_555 |
13 |
6 |
7359 |
95.6 |
-15.0 |
0.752 |
4 |
0 |
0 |
0.088 |
| 17 |
64 |
|
[SO4]I:303 |
5 |
1 |
187 |
f |
I |
x,y,z |
1_555 |
14 |
6 |
7384 |
94.8 |
-14.3 |
0.803 |
5 |
0 |
0 |
0.044 |
| 18 |
65 |
|
[SO4]J:302 |
5 |
1 |
187 |
f |
J |
x,y,z |
1_555 |
12 |
6 |
7250 |
94.5 |
-14.1 |
0.776 |
5 |
0 |
0 |
0.057 |
| 19 |
66 |
|
[SO4]G:304 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
12 |
6 |
7260 |
94.3 |
-14.6 |
0.781 |
4 |
0 |
0 |
0.055 |
| 20 |
67 |
|
[SO4]B:303 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
7256 |
94.0 |
-14.0 |
0.829 |
4 |
0 |
0 |
0.259 |
| 21 |
68 |
|
[SO4]E:302 |
5 |
1 |
181 |
f |
E |
x,y,z |
1_555 |
12 |
6 |
7311 |
93.9 |
-13.9 |
0.868 |
6 |
0 |
0 |
0.089 |
| 22 |
69 |
|
[SO4]C:304 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
7267 |
93.4 |
-14.4 |
0.753 |
5 |
0 |
0 |
0.044 |
| 23 |
70 |
|
[SO4]K:304 |
5 |
1 |
188 |
f |
K |
x,y,z |
1_555 |
11 |
3 |
7284 |
73.4 |
-10.2 |
0.744 |
2 |
0 |
0 |
0.023 |
| 24 |
71 |
|
[SO4]H:304 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
9 |
2 |
7105 |
71.2 |
-9.4 |
0.827 |
2 |
0 |
0 |
0.021 |
| 25 |
72 |
|
C |
6 |
2 |
7267 |
◊ |
B |
x-1/2,-y+1/2,-z+2 |
4_457 |
8 |
3 |
7256 |
66.6 |
-0.5 |
0.326 |
0 |
0 |
0 |
0.000 |
| 26 |
73 |
|
[SO4]H:305 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
7105 |
62.6 |
-7.8 |
0.771 |
4 |
0 |
0 |
0.019 |
| 27 |
74 |
|
[SO4]D:303 |
4 |
1 |
187 |
f |
I |
x-1,y-1,z |
1_445 |
7 |
4 |
7384 |
60.6 |
-7.1 |
0.829 |
3 |
0 |
0 |
0.022 |
| 28 |
75 |
|
[LAT]L:301 |
9 |
1 |
474 |
◊ |
[LAT]J:301 |
x,y,z |
1_555 |
8 |
1 |
472 |
60.4 |
1.1 |
0.377 |
0 |
0 |
0 |
0.000 |
76 |
|
[LAT]F:301 |
10 |
1 |
472 |
◊ |
[LAT]A:301 |
x,y,z |
1_555 |
9 |
1 |
472 |
58.7 |
1.2 |
0.408 |
0 |
0 |
0 |
0.000 |
77 |
|
[LAT]G:301 |
10 |
1 |
472 |
◊ |
[LAT]D:301 |
x,y,z |
1_555 |
9 |
1 |
471 |
57.6 |
1.2 |
0.374 |
0 |
0 |
0 |
0.000 |
78 |
|
[LAT]K:301 |
8 |
1 |
471 |
◊ |
[LAT]I:301 |
x,y,z |
1_555 |
8 |
1 |
474 |
57.4 |
1.2 |
0.401 |
1 |
0 |
0 |
0.000 |
79 |
|
[LAT]H:301 |
9 |
1 |
473 |
◊ |
[LAT]B:301 |
x,y,z |
1_555 |
8 |
1 |
471 |
57.4 |
1.2 |
0.410 |
0 |
0 |
0 |
0.000 |
80 |
|
[LAT]E:301 |
8 |
1 |
469 |
◊ |
[LAT]C:301 |
x,y,z |
1_555 |
9 |
1 |
471 |
56.4 |
1.1 |
0.385 |
0 |
0 |
0 |
0.000 |
| Average: |
58.0 |
1.2 |
0.393 |
0 |
0 |
0 |
0.000 |
| 29 |
81 |
|
[SO4]C:303 |
5 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
7311 |
60.3 |
-7.0 |
0.796 |
2 |
0 |
0 |
0.000 |
| 30 |
82 |
|
[SO4]C:305 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
7267 |
59.6 |
-6.7 |
0.802 |
3 |
0 |
0 |
0.021 |
| 31 |
83 |
|
[SO4]G:303 |
5 |
1 |
187 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
7260 |
59.5 |
-7.2 |
0.736 |
3 |
0 |
0 |
0.000 |
| 32 |
84 |
|
[SO4]G:303 |
5 |
1 |
187 |
f |
K |
x-1,y-1,z |
1_445 |
9 |
4 |
7284 |
59.4 |
-6.9 |
0.808 |
4 |
0 |
0 |
0.018 |
| 33 |
85 |
|
[SO4]H:302 |
4 |
1 |
186 |
f |
J |
x,y,z |
1_555 |
11 |
4 |
7250 |
58.9 |
-7.0 |
0.778 |
3 |
0 |
0 |
0.029 |
| 34 |
86 |
|
[SO4]K:302 |
4 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
9 |
4 |
7359 |
58.4 |
-6.5 |
0.892 |
2 |
0 |
0 |
0.000 |
| 35 |
87 |
|
[SO4]C:303 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
7803 |
58.3 |
-6.8 |
0.714 |
4 |
0 |
0 |
0.083 |
| 36 |
88 |
|
[SO4]C:305 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
7912 |
56.1 |
-6.4 |
0.784 |
2 |
0 |
0 |
0.000 |
| 37 |
89 |
|
[SO4]G:302 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
5 |
4 |
7260 |
55.5 |
-6.6 |
0.929 |
3 |
0 |
0 |
0.027 |
| 38 |
90 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
7256 |
54.5 |
-6.3 |
0.913 |
2 |
0 |
0 |
0.119 |
| 39 |
91 |
|
[SO4]F:302 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
6 |
4 |
7105 |
54.4 |
-6.2 |
0.916 |
2 |
0 |
0 |
0.014 |
| 40 |
92 |
|
[SO4]I:302 |
4 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
7 |
4 |
7384 |
54.4 |
-6.4 |
0.879 |
2 |
0 |
0 |
0.019 |
| 41 |
93 |
|
[SO4]H:302 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
7256 |
54.1 |
-6.1 |
0.824 |
3 |
0 |
0 |
0.000 |
| 42 |
94 |
|
[SO4]H:305 |
5 |
1 |
186 |
◊ |
L |
x,y,z |
1_555 |
9 |
4 |
7359 |
53.6 |
-6.7 |
0.621 |
2 |
0 |
0 |
0.000 |
| 43 |
95 |
|
L |
10 |
3 |
7359 |
◊ |
K |
x-1/2,-y+3/2,-z+2 |
4_467 |
6 |
3 |
7284 |
53.3 |
-0.2 |
0.541 |
0 |
0 |
0 |
0.000 |
| 44 |
96 |
|
[SO4]D:303 |
5 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
8273 |
52.9 |
-6.8 |
0.592 |
2 |
0 |
0 |
0.000 |
| 45 |
97 |
|
[SO4]C:302 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
7267 |
52.6 |
-6.1 |
0.917 |
3 |
0 |
0 |
0.020 |
| 46 |
98 |
|
[SO4]F:302 |
5 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
5 |
4 |
7803 |
52.6 |
-6.2 |
0.939 |
2 |
0 |
0 |
0.000 |
| 47 |
99 |
|
[LAT]A:301 |
4 |
1 |
472 |
◊ |
F |
x,y,z |
1_555 |
13 |
6 |
7803 |
52.3 |
-0.6 |
0.350 |
0 |
0 |
0 |
0.000 |
100 |
|
[LAT]F:301 |
4 |
1 |
472 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
7912 |
51.0 |
-0.6 |
0.331 |
0 |
0 |
0 |
0.000 |
101 |
|
[LAT]G:301 |
4 |
1 |
472 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
8273 |
50.9 |
-0.6 |
0.343 |
0 |
0 |
0 |
0.000 |
102 |
|
[LAT]K:301 |
4 |
1 |
471 |
◊ |
I |
x,y,z |
1_555 |
11 |
5 |
7384 |
50.8 |
-0.8 |
0.303 |
0 |
0 |
0 |
0.000 |
103 |
|
[LAT]E:301 |
4 |
1 |
469 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
7267 |
50.7 |
-0.7 |
0.307 |
0 |
0 |
0 |
0.000 |
104 |
|
[LAT]H:301 |
4 |
1 |
473 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
7256 |
50.7 |
-0.6 |
0.332 |
0 |
0 |
0 |
0.000 |
105 |
|
[LAT]B:301 |
4 |
1 |
471 |
◊ |
H |
x,y,z |
1_555 |
12 |
6 |
7105 |
50.3 |
-0.7 |
0.326 |
0 |
0 |
0 |
0.000 |
106 |
|
[LAT]J:301 |
4 |
1 |
472 |
◊ |
L |
x,y,z |
1_555 |
12 |
6 |
7359 |
50.1 |
-0.8 |
0.306 |
0 |
0 |
0 |
0.000 |
107 |
|
[LAT]C:301 |
4 |
1 |
471 |
◊ |
E |
x,y,z |
1_555 |
12 |
6 |
7311 |
49.5 |
-0.7 |
0.319 |
0 |
0 |
0 |
0.000 |
108 |
|
[LAT]L:301 |
4 |
1 |
474 |
◊ |
J |
x,y,z |
1_555 |
11 |
5 |
7250 |
49.3 |
-0.9 |
0.275 |
0 |
0 |
0 |
0.000 |
109 |
|
[LAT]D:301 |
4 |
1 |
471 |
◊ |
G |
x,y,z |
1_555 |
12 |
6 |
7260 |
49.0 |
-0.6 |
0.324 |
0 |
0 |
0 |
0.000 |
110 |
|
[LAT]I:301 |
4 |
1 |
474 |
◊ |
K |
x,y,z |
1_555 |
10 |
4 |
7284 |
48.7 |
-0.6 |
0.328 |
0 |
0 |
0 |
0.000 |
| Average: |
50.3 |
-0.7 |
0.320 |
0 |
0 |
0 |
0.000 |
| 48 |
111 |
|
[SO4]B:302 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
7912 |
51.8 |
-6.0 |
0.907 |
2 |
0 |
0 |
0.000 |
| 49 |
112 |
|
[SO4]K:302 |
4 |
1 |
185 |
f |
K |
x,y,z |
1_555 |
6 |
2 |
7284 |
51.6 |
-5.7 |
0.895 |
4 |
0 |
0 |
0.015 |
| 50 |
113 |
|
[SO4]C:302 |
5 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
5 |
4 |
8273 |
51.4 |
-6.1 |
0.932 |
2 |
0 |
0 |
0.000 |
| 51 |
114 |
|
[SO4]I:302 |
5 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
7250 |
49.9 |
-5.8 |
0.936 |
2 |
0 |
0 |
0.000 |
| 52 |
115 |
|
[SO4]G:302 |
5 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
7311 |
48.6 |
-5.8 |
0.914 |
2 |
0 |
0 |
0.000 |
| 53 |
116 |
|
[SO4]H:302 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
5 |
1 |
7105 |
41.7 |
-2.9 |
0.965 |
2 |
0 |
0 |
0.000 |
| 54 |
117 |
|
[SO4]C:303 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
7267 |
38.9 |
-2.6 |
0.961 |
1 |
0 |
0 |
0.000 |
| 55 |
118 |
|
[SO4]D:303 |
4 |
1 |
187 |
◊ |
K |
x-1,y-1,z |
1_445 |
3 |
1 |
7284 |
38.7 |
-2.7 |
0.955 |
2 |
0 |
0 |
0.000 |
| 56 |
119 |
|
[SO4]C:303 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
7912 |
38.5 |
-2.7 |
0.956 |
2 |
0 |
0 |
0.000 |
| 57 |
120 |
|
[SO4]C:305 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
7311 |
38.3 |
-2.9 |
0.939 |
2 |
0 |
0 |
0.000 |
| 58 |
121 |
|
[SO4]D:303 |
4 |
1 |
187 |
◊ |
G |
x,y,z |
1_555 |
4 |
1 |
7260 |
37.1 |
-2.9 |
0.937 |
1 |
0 |
0 |
0.000 |
| 59 |
122 |
|
[SO4]G:303 |
3 |
1 |
187 |
◊ |
I |
x-1,y-1,z |
1_445 |
3 |
1 |
7384 |
37.0 |
-2.9 |
0.952 |
2 |
0 |
0 |
0.000 |
| 60 |
123 |
|
[SO4]C:305 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
5 |
1 |
7803 |
36.7 |
-2.6 |
0.960 |
3 |
0 |
0 |
0.000 |
| 61 |
124 |
|
[SO4]H:302 |
4 |
1 |
186 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
7359 |
35.8 |
-2.6 |
0.945 |
1 |
0 |
0 |
0.000 |
| 62 |
125 |
|
[SO4]H:305 |
4 |
1 |
186 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
7250 |
34.2 |
-2.9 |
0.963 |
1 |
0 |
0 |
0.000 |
| 63 |
126 |
|
[SO4]C:302 |
4 |
1 |
184 |
◊ |
[LAT]D:301 |
x,y,z |
1_555 |
4 |
1 |
471 |
33.6 |
-3.2 |
0.715 |
0 |
0 |
0 |
0.000 |
| 64 |
127 |
|
[SO4]G:302 |
4 |
1 |
185 |
◊ |
[LAT]E:301 |
x,y,z |
1_555 |
4 |
1 |
469 |
33.5 |
-3.1 |
0.742 |
0 |
0 |
0 |
0.000 |
| 65 |
128 |
|
[SO4]H:305 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
7256 |
33.4 |
-2.1 |
0.965 |
1 |
0 |
0 |
0.000 |
| 66 |
129 |
|
[SO4]I:302 |
4 |
1 |
184 |
f |
[LAT]I:301 |
x,y,z |
1_555 |
3 |
1 |
474 |
32.6 |
-3.2 |
0.716 |
0 |
0 |
0 |
0.009 |
| 67 |
130 |
|
[SO4]G:303 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
8273 |
32.5 |
-2.1 |
0.963 |
3 |
0 |
0 |
0.000 |
| 68 |
131 |
|
[SO4]F:302 |
4 |
1 |
185 |
◊ |
[LAT]F:301 |
x,y,z |
1_555 |
4 |
1 |
472 |
32.5 |
-3.1 |
0.742 |
0 |
0 |
0 |
0.000 |
| 69 |
132 |
|
[SO4]F:302 |
4 |
1 |
185 |
f |
[LAT]H:301 |
x,y,z |
1_555 |
4 |
1 |
473 |
32.3 |
-3.0 |
0.742 |
0 |
0 |
0 |
0.006 |
| 70 |
133 |
|
[SO4]G:302 |
4 |
1 |
185 |
f |
[LAT]G:301 |
x,y,z |
1_555 |
4 |
1 |
472 |
31.9 |
-2.8 |
0.734 |
0 |
0 |
0 |
0.009 |
| 71 |
134 |
|
[SO4]I:302 |
4 |
1 |
184 |
◊ |
[LAT]J:301 |
x,y,z |
1_555 |
3 |
1 |
472 |
31.5 |
-3.0 |
0.744 |
0 |
0 |
0 |
0.000 |
| 72 |
135 |
|
A |
3 |
1 |
7912 |
◊ |
B |
x-1/2,-y+1/2,-z+2 |
4_457 |
2 |
1 |
7256 |
31.4 |
0.2 |
0.415 |
0 |
0 |
0 |
0.000 |
| 73 |
136 |
|
[SO4]K:302 |
4 |
1 |
185 |
f |
[LAT]K:301 |
x,y,z |
1_555 |
4 |
1 |
471 |
31.2 |
-2.9 |
0.710 |
0 |
0 |
0 |
0.006 |
| 74 |
137 |
|
[SO4]K:302 |
3 |
1 |
185 |
◊ |
[LAT]L:301 |
x,y,z |
1_555 |
4 |
1 |
474 |
31.2 |
-3.2 |
0.685 |
0 |
0 |
0 |
0.000 |
| 75 |
138 |
|
[SO4]B:302 |
4 |
1 |
185 |
◊ |
[LAT]A:301 |
x,y,z |
1_555 |
3 |
1 |
472 |
30.7 |
-2.9 |
0.734 |
0 |
0 |
0 |
0.000 |
| 76 |
139 |
|
[SO4]C:302 |
4 |
1 |
184 |
f |
[LAT]C:301 |
x,y,z |
1_555 |
4 |
1 |
471 |
30.3 |
-2.7 |
0.719 |
0 |
0 |
0 |
0.007 |
| 77 |
140 |
|
[SO4]B:302 |
4 |
1 |
185 |
f |
[LAT]B:301 |
x,y,z |
1_555 |
3 |
1 |
471 |
30.0 |
-2.8 |
0.731 |
0 |
0 |
0 |
0.046 |
| 78 |
141 |
|
J |
6 |
2 |
7250 |
◊ |
I |
-x+2,y-1/2,-z+5/2 |
3_747 |
3 |
1 |
7384 |
13.9 |
-0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
| 79 |
142 |
|
D |
3 |
2 |
8273 |
◊ |
J |
-x+1,y-1/2,-z+5/2 |
3_647 |
3 |
1 |
7250 |
13.6 |
0.2 |
0.612 |
0 |
0 |
0 |
0.000 |
| 80 |
143 |
|
[LAT]L:301 |
2 |
1 |
474 |
◊ |
[LAT]K:301 |
x,y,z |
1_555 |
2 |
1 |
471 |
7.0 |
-0.0 |
0.331 |
0 |
0 |
0 |
0.000 |
144 |
|
[LAT]H:301 |
2 |
1 |
473 |
◊ |
[LAT]F:301 |
x,y,z |
1_555 |
2 |
1 |
472 |
5.4 |
-0.0 |
0.341 |
0 |
0 |
0 |
0.000 |
145 |
|
[LAT]G:301 |
2 |
1 |
472 |
◊ |
[LAT]E:301 |
x,y,z |
1_555 |
2 |
1 |
469 |
4.7 |
-0.0 |
0.336 |
0 |
0 |
0 |
0.000 |
146 |
|
[LAT]D:301 |
2 |
1 |
471 |
◊ |
[LAT]C:301 |
x,y,z |
1_555 |
2 |
1 |
471 |
3.5 |
0.0 |
0.332 |
0 |
0 |
0 |
0.000 |
147 |
|
[LAT]B:301 |
2 |
1 |
471 |
◊ |
[LAT]A:301 |
x,y,z |
1_555 |
2 |
1 |
472 |
2.8 |
-0.0 |
0.338 |
0 |
0 |
0 |
0.000 |
148 |
|
[LAT]J:301 |
2 |
1 |
472 |
◊ |
[LAT]I:301 |
x,y,z |
1_555 |
2 |
1 |
474 |
2.7 |
-0.0 |
0.332 |
0 |
0 |
0 |
0.000 |
| Average: |
4.4 |
-0.0 |
0.335 |
0 |
0 |
0 |
0.000 |
| 81 |
149 |
|
G |
1 |
1 |
7260 |
◊ |
L |
x-1/2,-y+1/2,-z+2 |
4_457 |
2 |
1 |
7359 |
5.2 |
0.1 |
0.705 |
0 |
0 |
0 |
0.000 |
| 82 |
150 |
|
D |
1 |
1 |
8273 |
◊ |
J |
x-1,y,z |
1_455 |
1 |
1 |
7250 |
2.7 |
-0.0 |
0.538 |
0 |
0 |
0 |
0.000 |
|