## |
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 |
|
B |
55 |
10 |
2650 |
◊ |
A |
x,y,z |
1_555 |
56 |
10 |
2624 |
478.6 |
0.9 |
0.637 |
26 |
0 |
0 |
0.162 |
2 |
|
D |
53 |
10 |
2618 |
◊ |
C |
x,y,z |
1_555 |
55 |
10 |
2624 |
474.8 |
0.7 |
0.637 |
25 |
0 |
0 |
0.162 |
Average: |
476.7 |
0.8 |
0.637 |
26 |
0 |
0 |
0.162 |
2 |
3 |
|
[USM]D:408 |
16 |
1 |
469 |
cf |
D |
x,y,z |
1_555 |
14 |
1 |
2618 |
117.5 |
2.6 |
0.643 |
0 |
0 |
0 |
0.000 |
4 |
|
[USM]B:208 |
16 |
1 |
467 |
cf |
B |
x,y,z |
1_555 |
14 |
1 |
2650 |
115.8 |
2.8 |
0.658 |
0 |
0 |
0 |
0.000 |
5 |
|
[USM]A:108 |
15 |
1 |
461 |
cf |
A |
x,y,z |
1_555 |
14 |
1 |
2624 |
112.9 |
2.8 |
0.664 |
0 |
0 |
0 |
0.000 |
6 |
|
[USM]C:308 |
15 |
1 |
467 |
cf |
C |
x,y,z |
1_555 |
14 |
1 |
2624 |
107.6 |
2.6 |
0.658 |
0 |
0 |
0 |
0.000 |
Average: |
113.4 |
2.7 |
0.656 |
0 |
0 |
0 |
0.000 |
3 |
7 |
|
[USM]A:107 |
14 |
1 |
475 |
cf |
A |
x,y,z |
1_555 |
16 |
1 |
2624 |
114.2 |
3.0 |
0.685 |
0 |
0 |
0 |
0.000 |
8 |
|
[USM]C:307 |
16 |
1 |
458 |
cf |
C |
x,y,z |
1_555 |
15 |
1 |
2624 |
106.2 |
2.7 |
0.658 |
0 |
0 |
0 |
0.000 |
9 |
|
[USM]B:207 |
16 |
1 |
468 |
cf |
B |
x,y,z |
1_555 |
15 |
1 |
2650 |
105.7 |
2.9 |
0.675 |
0 |
0 |
0 |
0.000 |
10 |
|
[USM]D:407 |
15 |
1 |
466 |
cf |
D |
x,y,z |
1_555 |
16 |
1 |
2618 |
104.2 |
2.8 |
0.695 |
0 |
0 |
0 |
0.000 |
Average: |
107.6 |
2.8 |
0.678 |
0 |
0 |
0 |
0.000 |
4 |
11 |
|
[USM]A:108 |
15 |
1 |
461 |
cf |
[USM]A:107 |
x,y,z |
1_555 |
13 |
1 |
475 |
110.1 |
2.2 |
0.591 |
0 |
0 |
0 |
0.000 |
12 |
|
[USM]B:208 |
15 |
1 |
467 |
cf |
[USM]B:207 |
x,y,z |
1_555 |
13 |
1 |
468 |
103.7 |
2.0 |
0.577 |
0 |
0 |
0 |
0.000 |
13 |
|
[USM]D:408 |
14 |
1 |
469 |
cf |
[USM]D:407 |
x,y,z |
1_555 |
14 |
1 |
466 |
102.4 |
2.0 |
0.586 |
0 |
0 |
0 |
0.000 |
Average: |
105.4 |
2.1 |
0.584 |
0 |
0 |
0 |
0.000 |
5 |
14 |
|
[USM]C:308 |
15 |
1 |
467 |
cf |
[USM]C:307 |
x,y,z |
1_555 |
14 |
1 |
458 |
100.4 |
2.0 |
0.577 |
0 |
0 |
0 |
0.000 |
6 |
15 |
|
D |
11 |
1 |
2618 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
13 |
1 |
2650 |
99.8 |
2.1 |
0.688 |
0 |
0 |
0 |
0.000 |
7 |
16 |
|
C |
15 |
2 |
2624 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
12 |
2 |
2624 |
92.5 |
2.2 |
0.688 |
0 |
0 |
0 |
0.000 |
8 |
17 |
|
C |
12 |
2 |
2624 |
◊ |
[USM]B:208 |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
1 |
467 |
91.0 |
-0.1 |
0.459 |
0 |
0 |
0 |
0.000 |
18 |
|
A |
13 |
2 |
2624 |
◊ |
[USM]D:408 |
x-1/2,-y+1/2,-z+1 |
4_456 |
9 |
1 |
469 |
89.8 |
0.0 |
0.478 |
0 |
0 |
0 |
0.000 |
Average: |
90.4 |
-0.1 |
0.468 |
0 |
0 |
0 |
0.000 |
9 |
19 |
|
D |
9 |
3 |
2618 |
x |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
12 |
3 |
2618 |
90.1 |
-3.3 |
0.227 |
0 |
0 |
0 |
0.000 |
10 |
20 |
|
B |
14 |
3 |
2650 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
2 |
2650 |
82.2 |
-0.7 |
0.447 |
0 |
0 |
0 |
0.000 |
11 |
21 |
|
[SR]A:506 |
1 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
2624 |
75.4 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.395 |
12 |
22 |
|
D |
10 |
1 |
2618 |
◊ |
[USM]B:207 |
x-1/2,-y+1/2,-z+1 |
4_456 |
7 |
1 |
468 |
74.6 |
-0.4 |
0.402 |
2 |
0 |
0 |
0.000 |
13 |
23 |
|
C |
13 |
1 |
2624 |
◊ |
[USM]A:108 |
x-1/2,-y+1/2,-z+1 |
4_456 |
9 |
1 |
461 |
74.5 |
1.3 |
0.566 |
0 |
0 |
0 |
0.000 |
24 |
|
A |
13 |
1 |
2624 |
◊ |
[USM]C:308 |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
1 |
467 |
67.4 |
1.1 |
0.561 |
0 |
0 |
0 |
0.000 |
Average: |
70.9 |
1.2 |
0.563 |
0 |
0 |
0 |
0.000 |
14 |
25 |
|
B |
10 |
1 |
2650 |
◊ |
[USM]D:407 |
x-1/2,-y+1/2,-z+1 |
4_456 |
7 |
1 |
466 |
74.4 |
-0.3 |
0.403 |
2 |
0 |
0 |
0.011 |
15 |
26 |
|
[MPD]D:1001 |
5 |
1 |
280 |
f |
D |
x,y,z |
1_555 |
10 |
2 |
2618 |
71.2 |
-2.7 |
0.827 |
0 |
0 |
0 |
0.046 |
16 |
27 |
|
[MPD]B:1002 |
4 |
1 |
274 |
f |
B |
x,y,z |
1_555 |
10 |
2 |
2650 |
66.6 |
-2.3 |
0.831 |
0 |
0 |
0 |
0.049 |
17 |
28 |
|
[USM]B:208 |
6 |
1 |
467 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
2624 |
65.8 |
0.8 |
0.564 |
1 |
0 |
0 |
0.000 |
29 |
|
[USM]D:408 |
5 |
1 |
469 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
2624 |
64.8 |
0.8 |
0.560 |
1 |
0 |
0 |
0.000 |
30 |
|
[USM]A:108 |
7 |
1 |
461 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
2650 |
64.5 |
0.7 |
0.553 |
1 |
0 |
0 |
0.000 |
31 |
|
[USM]C:308 |
7 |
1 |
467 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
2618 |
60.9 |
0.8 |
0.566 |
1 |
0 |
0 |
0.000 |
Average: |
64.0 |
0.8 |
0.561 |
1 |
0 |
0 |
0.000 |
18 |
32 |
|
[SR]B:501 |
1 |
1 |
206 |
f |
A |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
3 |
2624 |
64.4 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.539 |
33 |
|
[SR]D:505 |
1 |
1 |
206 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
2618 |
60.8 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.539 |
34 |
|
[SR]A:504 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
2650 |
58.8 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.539 |
35 |
|
[SR]C:503 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
2624 |
58.4 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.539 |
Average: |
60.6 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.539 |
19 |
36 |
|
[SR]A:504 |
1 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
2624 |
58.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.349 |
37 |
|
[SR]C:503 |
1 |
1 |
206 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
2618 |
57.9 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.349 |
38 |
|
[SR]D:505 |
1 |
1 |
206 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
2624 |
56.5 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.349 |
39 |
|
[SR]B:501 |
1 |
1 |
206 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
2 |
2650 |
56.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.349 |
Average: |
57.3 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.349 |
20 |
40 |
|
[SR]C:507 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
2624 |
58.3 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.227 |
21 |
41 |
|
B |
12 |
1 |
2650 |
◊ |
[MPD]D:1001 |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
1 |
280 |
57.4 |
-1.9 |
0.840 |
1 |
0 |
0 |
0.020 |
22 |
42 |
|
[USM]A:107 |
5 |
1 |
475 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
2650 |
56.1 |
0.9 |
0.566 |
2 |
0 |
0 |
0.003 |
43 |
|
[USM]C:307 |
5 |
1 |
458 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
2618 |
52.8 |
0.8 |
0.561 |
2 |
0 |
0 |
0.003 |
44 |
|
[USM]B:207 |
5 |
1 |
468 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
2624 |
51.9 |
0.8 |
0.560 |
2 |
0 |
0 |
0.003 |
45 |
|
[USM]D:407 |
5 |
1 |
466 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
2624 |
49.5 |
0.8 |
0.565 |
2 |
0 |
0 |
0.003 |
Average: |
52.6 |
0.8 |
0.563 |
2 |
0 |
0 |
0.003 |
23 |
46 |
|
D |
11 |
1 |
2618 |
◊ |
[MPD]B:1002 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
274 |
55.9 |
-1.9 |
0.833 |
0 |
0 |
0 |
0.000 |
24 |
47 |
|
[SR]D:502 |
1 |
1 |
206 |
f |
D |
x,y,z |
1_555 |
6 |
1 |
2618 |
54.1 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.209 |
25 |
48 |
|
[SR]B:501 |
1 |
1 |
206 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
2650 |
53.7 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.257 |
26 |
49 |
|
[SR]C:507 |
1 |
1 |
206 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
1 |
2624 |
50.9 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.087 |
27 |
50 |
|
[USM]B:208 |
7 |
1 |
467 |
◊ |
[USM]A:107 |
x,y,z |
1_555 |
5 |
1 |
475 |
49.6 |
1.6 |
0.605 |
0 |
0 |
0 |
0.000 |
51 |
|
[USM]D:408 |
7 |
1 |
469 |
◊ |
[USM]C:307 |
x,y,z |
1_555 |
5 |
1 |
458 |
47.0 |
1.6 |
0.609 |
0 |
0 |
0 |
0.000 |
52 |
|
[USM]B:207 |
5 |
1 |
468 |
◊ |
[USM]A:108 |
x,y,z |
1_555 |
7 |
1 |
461 |
43.9 |
1.4 |
0.613 |
0 |
0 |
0 |
0.000 |
53 |
|
[USM]D:407 |
5 |
1 |
466 |
◊ |
[USM]C:308 |
x,y,z |
1_555 |
7 |
1 |
467 |
42.3 |
1.3 |
0.609 |
0 |
0 |
0 |
0.000 |
Average: |
45.7 |
1.5 |
0.609 |
0 |
0 |
0 |
0.000 |
28 |
54 |
|
[MPD]D:1001 |
4 |
1 |
280 |
f |
[USM]D:407 |
x,y,z |
1_555 |
8 |
1 |
466 |
49.0 |
-3.0 |
0.668 |
0 |
0 |
0 |
0.052 |
29 |
55 |
|
B |
3 |
1 |
2650 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
8 |
2 |
2618 |
46.1 |
0.8 |
0.621 |
0 |
0 |
0 |
0.000 |
30 |
56 |
|
[MPD]B:1002 |
3 |
1 |
274 |
f |
[USM]B:207 |
x,y,z |
1_555 |
7 |
1 |
468 |
45.9 |
-2.8 |
0.647 |
0 |
0 |
0 |
0.060 |
31 |
57 |
|
[SR]D:502 |
1 |
1 |
206 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
6 |
3 |
2618 |
44.1 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
58 |
|
C |
5 |
1 |
2624 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
1 |
2650 |
43.4 |
0.2 |
0.510 |
0 |
0 |
0 |
0.000 |
59 |
|
D |
4 |
1 |
2618 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
1 |
2624 |
16.2 |
0.1 |
0.495 |
0 |
0 |
0 |
0.000 |
Average: |
29.8 |
0.2 |
0.503 |
0 |
0 |
0 |
0.000 |
33 |
60 |
|
A |
5 |
1 |
2624 |
◊ |
[USM]C:307 |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
458 |
41.6 |
0.8 |
0.570 |
0 |
0 |
0 |
0.000 |
34 |
61 |
|
[USM]B:207 |
4 |
1 |
468 |
◊ |
[USM]A:107 |
x,y,z |
1_555 |
4 |
1 |
475 |
41.3 |
2.0 |
0.696 |
0 |
0 |
0 |
0.000 |
62 |
|
[USM]D:407 |
4 |
1 |
466 |
◊ |
[USM]C:307 |
x,y,z |
1_555 |
4 |
1 |
458 |
39.2 |
1.9 |
0.702 |
0 |
0 |
0 |
0.000 |
Average: |
40.2 |
1.9 |
0.699 |
0 |
0 |
0 |
0.000 |
35 |
63 |
|
C |
5 |
1 |
2624 |
◊ |
[USM]A:107 |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
475 |
41.0 |
0.8 |
0.562 |
0 |
0 |
0 |
0.000 |
36 |
64 |
|
[SR]D:502 |
1 |
1 |
206 |
◊ |
[USM]C:307 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
458 |
40.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.151 |
37 |
65 |
|
A |
7 |
2 |
2624 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
2618 |
39.4 |
0.1 |
0.455 |
0 |
0 |
0 |
0.000 |
66 |
|
C |
7 |
2 |
2624 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
2650 |
38.8 |
0.2 |
0.463 |
0 |
0 |
0 |
0.000 |
Average: |
39.1 |
0.1 |
0.459 |
0 |
0 |
0 |
0.000 |
38 |
67 |
|
D |
3 |
1 |
2618 |
◊ |
[USM]B:208 |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
467 |
36.2 |
0.7 |
0.558 |
1 |
0 |
0 |
0.000 |
39 |
68 |
|
B |
4 |
1 |
2650 |
◊ |
[USM]D:408 |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
469 |
36.2 |
0.6 |
0.543 |
1 |
0 |
0 |
0.000 |
40 |
69 |
|
C |
7 |
1 |
2624 |
◊ |
[USM]B:207 |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
468 |
36.1 |
-0.4 |
0.445 |
0 |
0 |
0 |
0.000 |
70 |
|
A |
8 |
1 |
2624 |
◊ |
[USM]D:407 |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
466 |
34.8 |
-0.3 |
0.461 |
0 |
0 |
0 |
0.000 |
Average: |
35.4 |
-0.3 |
0.453 |
0 |
0 |
0 |
0.000 |
41 |
71 |
|
[MPD]B:1002 |
3 |
1 |
274 |
◊ |
[USM]A:108 |
x,y,z |
1_555 |
2 |
1 |
461 |
31.5 |
-0.5 |
0.905 |
0 |
0 |
0 |
0.008 |
42 |
72 |
|
C |
4 |
1 |
2624 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
2624 |
30.9 |
1.2 |
0.632 |
0 |
0 |
0 |
0.000 |
73 |
|
A |
4 |
1 |
2624 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
2624 |
26.9 |
1.0 |
0.620 |
0 |
0 |
0 |
0.000 |
Average: |
28.9 |
1.1 |
0.626 |
0 |
0 |
0 |
0.000 |
43 |
74 |
|
[MPD]D:1001 |
3 |
1 |
280 |
◊ |
[USM]C:308 |
x,y,z |
1_555 |
2 |
1 |
467 |
30.0 |
-0.7 |
0.900 |
0 |
0 |
0 |
0.010 |
44 |
75 |
|
[SR]C:503 |
1 |
1 |
206 |
◊ |
[USM]C:308 |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
467 |
26.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
76 |
|
B |
6 |
1 |
2650 |
◊ |
[USM]C:308 |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
467 |
26.9 |
0.2 |
0.516 |
0 |
0 |
0 |
0.000 |
77 |
|
D |
6 |
1 |
2618 |
◊ |
[USM]A:108 |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
461 |
26.6 |
0.1 |
0.507 |
0 |
0 |
0 |
0.000 |
Average: |
26.7 |
0.2 |
0.512 |
0 |
0 |
0 |
0.000 |
46 |
78 |
|
[SR]C:507 |
1 |
1 |
206 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
2 |
2650 |
22.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.034 |
47 |
79 |
|
[SR]D:502 |
1 |
1 |
206 |
◊ |
[USM]C:308 |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
467 |
20.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.079 |
48 |
80 |
|
[SR]D:502 |
1 |
1 |
206 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
2624 |
20.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.059 |
49 |
81 |
|
[MPD]B:1002 |
2 |
1 |
274 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
2624 |
19.8 |
-0.7 |
0.749 |
0 |
0 |
0 |
0.010 |
50 |
82 |
|
B |
3 |
1 |
2650 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
2624 |
18.6 |
-0.9 |
0.299 |
0 |
0 |
0 |
0.020 |
51 |
83 |
|
A |
3 |
1 |
2624 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
2650 |
18.4 |
-0.0 |
0.388 |
0 |
0 |
0 |
0.000 |
52 |
84 |
|
[MPD]D:1001 |
2 |
1 |
280 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
2624 |
18.4 |
-0.5 |
0.755 |
0 |
0 |
0 |
0.007 |
53 |
85 |
|
D |
2 |
1 |
2618 |
◊ |
[USM]C:307 |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
458 |
16.8 |
-0.9 |
0.284 |
0 |
0 |
0 |
0.015 |
54 |
86 |
|
C |
3 |
2 |
2624 |
◊ |
[USM]C:308 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
467 |
16.6 |
-0.7 |
0.258 |
0 |
0 |
0 |
0.000 |
55 |
87 |
|
[SR]A:506 |
1 |
1 |
206 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
2650 |
15.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.046 |
56 |
88 |
|
[MPD]B:1002 |
2 |
1 |
274 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
2618 |
13.8 |
-1.3 |
0.504 |
0 |
0 |
0 |
0.000 |
57 |
89 |
|
C |
1 |
1 |
2624 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
2624 |
13.7 |
-0.5 |
0.305 |
0 |
0 |
0 |
0.000 |
58 |
90 |
|
[SR]A:504 |
1 |
1 |
206 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
2650 |
10.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
91 |
|
C |
1 |
1 |
2624 |
x |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
2 |
1 |
2624 |
10.7 |
-1.1 |
0.208 |
0 |
0 |
0 |
0.000 |
60 |
92 |
|
A |
3 |
1 |
2624 |
◊ |
[USM]D:407 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
466 |
8.0 |
-0.4 |
0.313 |
0 |
0 |
0 |
0.000 |
61 |
93 |
|
B |
1 |
1 |
2650 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
2618 |
7.7 |
0.1 |
0.346 |
0 |
0 |
0 |
0.000 |
62 |
94 |
|
D |
1 |
1 |
2618 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
2624 |
6.5 |
-0.2 |
0.291 |
0 |
0 |
0 |
0.000 |
63 |
95 |
|
B |
1 |
1 |
2650 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
2624 |
6.3 |
-0.2 |
0.287 |
0 |
0 |
0 |
0.000 |
64 |
96 |
|
D |
2 |
1 |
2618 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
2650 |
6.0 |
0.0 |
0.313 |
0 |
0 |
0 |
0.000 |
65 |
97 |
|
[SR]C:503 |
1 |
1 |
206 |
◊ |
[USM]C:307 |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
458 |
5.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
98 |
|
[SR]A:506 |
1 |
1 |
206 |
f |
[USM]A:108 |
x,y,z |
1_555 |
1 |
1 |
461 |
4.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.016 |
67 |
99 |
|
[SR]C:507 |
1 |
1 |
206 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
2618 |
3.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.009 |
68 |
100 |
|
C |
2 |
2 |
2624 |
◊ |
[USM]C:307 |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
458 |
3.2 |
0.2 |
0.438 |
0 |
0 |
0 |
0.000 |
|