## |
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 |
254 |
63 |
9218 |
◊ |
A |
x,y,z |
1_555 |
240 |
56 |
8834 |
2572.1 |
-37.7 |
0.038 |
26 |
13 |
0 |
0.223 |
2 |
|
F |
244 |
60 |
9337 |
◊ |
E |
x,y,z |
1_555 |
245 |
55 |
8808 |
2552.1 |
-38.0 |
0.034 |
21 |
11 |
0 |
0.223 |
3 |
|
H |
248 |
62 |
9234 |
◊ |
G |
x,y,z |
1_555 |
237 |
55 |
8938 |
2526.3 |
-38.4 |
0.025 |
23 |
13 |
0 |
0.223 |
4 |
|
D |
241 |
59 |
9317 |
◊ |
C |
x,y,z |
1_555 |
232 |
55 |
8738 |
2505.8 |
-38.2 |
0.031 |
25 |
9 |
0 |
0.223 |
Average: |
2539.1 |
-38.1 |
0.032 |
24 |
12 |
0 |
0.223 |
2 |
5 |
|
J |
142 |
30 |
6666 |
◊ |
I |
x,y,z |
1_555 |
138 |
30 |
6696 |
1340.7 |
-8.6 |
0.939 |
60 |
0 |
0 |
1.000 |
6 |
|
L |
148 |
30 |
6679 |
◊ |
K |
x,y,z |
1_555 |
146 |
30 |
6670 |
1325.4 |
-9.2 |
0.931 |
62 |
0 |
0 |
1.000 |
Average: |
1333.0 |
-8.9 |
0.935 |
61 |
0 |
0 |
1.000 |
3 |
7 |
|
D |
101 |
24 |
9317 |
◊ |
B |
x,y,z |
1_555 |
101 |
25 |
9218 |
864.3 |
-7.4 |
0.348 |
12 |
0 |
0 |
0.049 |
8 |
|
H |
103 |
24 |
9234 |
◊ |
F |
x,y,z |
1_555 |
103 |
25 |
9337 |
842.4 |
-7.2 |
0.386 |
11 |
0 |
0 |
0.049 |
Average: |
853.4 |
-7.3 |
0.367 |
12 |
0 |
0 |
0.049 |
4 |
9 |
|
G |
96 |
26 |
8938 |
◊ |
E |
x,y,z |
1_555 |
96 |
25 |
8808 |
822.5 |
-9.8 |
0.392 |
10 |
0 |
0 |
0.062 |
10 |
|
C |
95 |
26 |
8738 |
◊ |
A |
x,y,z |
1_555 |
97 |
25 |
8834 |
818.4 |
-9.7 |
0.450 |
10 |
0 |
0 |
0.062 |
Average: |
820.5 |
-9.7 |
0.421 |
10 |
0 |
0 |
0.062 |
5 |
11 |
|
K |
49 |
9 |
6670 |
◊ |
F |
x,y,z |
1_555 |
46 |
15 |
9337 |
450.5 |
-8.5 |
0.365 |
18 |
0 |
0 |
0.113 |
12 |
|
I |
49 |
9 |
6696 |
◊ |
B |
x,y,z |
1_555 |
42 |
15 |
9218 |
433.2 |
-7.5 |
0.395 |
16 |
0 |
0 |
0.113 |
Average: |
441.9 |
-8.0 |
0.380 |
17 |
0 |
0 |
0.113 |
6 |
13 |
|
J |
53 |
9 |
6666 |
◊ |
D |
x,y,z |
1_555 |
47 |
14 |
9317 |
450.5 |
-8.8 |
0.457 |
13 |
0 |
0 |
0.169 |
14 |
|
L |
49 |
9 |
6679 |
◊ |
H |
x,y,z |
1_555 |
48 |
15 |
9234 |
445.1 |
-7.5 |
0.492 |
13 |
0 |
0 |
0.169 |
Average: |
447.8 |
-8.1 |
0.475 |
13 |
0 |
0 |
0.169 |
7 |
15 |
|
I |
28 |
5 |
6696 |
◊ |
C |
x,y,z |
1_555 |
27 |
9 |
8738 |
275.1 |
-6.8 |
0.348 |
8 |
0 |
0 |
0.042 |
8 |
16 |
|
L |
29 |
6 |
6679 |
◊ |
E |
x,y,z |
1_555 |
28 |
9 |
8808 |
273.6 |
-7.1 |
0.382 |
8 |
0 |
0 |
0.057 |
17 |
|
J |
29 |
5 |
6666 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
8834 |
264.2 |
-6.4 |
0.413 |
7 |
0 |
0 |
0.057 |
Average: |
268.9 |
-6.8 |
0.397 |
8 |
0 |
0 |
0.057 |
9 |
18 |
|
K |
29 |
5 |
6670 |
◊ |
G |
x,y,z |
1_555 |
30 |
9 |
8938 |
268.7 |
-6.8 |
0.333 |
7 |
0 |
0 |
0.041 |
10 |
19 |
|
K |
33 |
8 |
6670 |
◊ |
H |
x,y,z |
1_555 |
28 |
7 |
9234 |
262.1 |
0.6 |
0.794 |
3 |
0 |
0 |
0.006 |
20 |
|
I |
33 |
8 |
6696 |
◊ |
D |
x,y,z |
1_555 |
25 |
6 |
9317 |
241.6 |
0.5 |
0.790 |
4 |
0 |
0 |
0.006 |
Average: |
251.8 |
0.6 |
0.792 |
4 |
0 |
0 |
0.006 |
11 |
21 |
|
L |
31 |
8 |
6679 |
◊ |
F |
x,y,z |
1_555 |
25 |
6 |
9337 |
253.0 |
-0.1 |
0.790 |
5 |
0 |
0 |
0.006 |
22 |
|
J |
32 |
8 |
6666 |
◊ |
B |
x,y,z |
1_555 |
24 |
6 |
9218 |
235.8 |
0.4 |
0.831 |
5 |
0 |
0 |
0.006 |
Average: |
244.4 |
0.1 |
0.810 |
5 |
0 |
0 |
0.006 |
12 |
23 |
|
L |
31 |
7 |
6679 |
◊ |
G |
x,y,z |
1_555 |
25 |
5 |
8938 |
245.5 |
-0.5 |
0.804 |
4 |
0 |
0 |
0.008 |
13 |
24 |
|
J |
30 |
7 |
6666 |
◊ |
C |
x,y,z |
1_555 |
26 |
5 |
8738 |
245.5 |
-0.8 |
0.796 |
4 |
0 |
0 |
0.011 |
14 |
25 |
|
I |
30 |
7 |
6696 |
◊ |
A |
x,y,z |
1_555 |
26 |
5 |
8834 |
244.3 |
-0.8 |
0.756 |
6 |
0 |
0 |
0.017 |
26 |
|
K |
30 |
7 |
6670 |
◊ |
E |
x,y,z |
1_555 |
26 |
5 |
8808 |
242.5 |
-0.8 |
0.742 |
4 |
0 |
0 |
0.017 |
Average: |
243.4 |
-0.8 |
0.749 |
5 |
0 |
0 |
0.017 |
15 |
27 |
|
G |
21 |
6 |
8938 |
◊ |
C |
x,y,z-1 |
1_554 |
20 |
8 |
8738 |
168.4 |
1.6 |
0.851 |
3 |
0 |
0 |
0.000 |
16 |
28 |
|
G |
14 |
5 |
8938 |
◊ |
D |
x,y,z-1 |
1_554 |
17 |
4 |
9317 |
129.5 |
-1.4 |
0.459 |
2 |
0 |
0 |
0.000 |
17 |
29 |
|
J |
17 |
2 |
6666 |
◊ |
L |
-x-1/2,y-1/2,-z |
4_445 |
18 |
2 |
6679 |
128.5 |
0.9 |
0.808 |
0 |
0 |
0 |
0.000 |
18 |
30 |
|
I |
17 |
2 |
6696 |
◊ |
K |
-x-1/2,y-1/2,-z |
4_445 |
16 |
1 |
6670 |
123.0 |
2.7 |
0.833 |
0 |
0 |
0 |
0.000 |
19 |
31 |
|
H |
17 |
5 |
9234 |
◊ |
C |
x,y,z-1 |
1_554 |
14 |
7 |
8738 |
121.8 |
1.5 |
0.801 |
0 |
0 |
0 |
0.000 |
20 |
32 |
|
H |
13 |
5 |
9234 |
◊ |
L |
-x-1/2,y-1/2,-z |
4_445 |
14 |
3 |
6679 |
114.6 |
-0.6 |
0.634 |
1 |
0 |
0 |
0.000 |
21 |
33 |
|
J |
19 |
2 |
6666 |
◊ |
I |
-x,y,-z+2 |
2_557 |
16 |
2 |
6696 |
111.5 |
2.5 |
0.853 |
0 |
0 |
0 |
0.000 |
22 |
34 |
|
[K]G:407 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
16 |
6 |
8938 |
93.1 |
-61.4 |
0.000 |
0 |
0 |
0 |
0.495 |
35 |
|
[K]A:409 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
8834 |
90.6 |
-57.5 |
0.000 |
0 |
0 |
0 |
0.495 |
36 |
|
[K]C:411 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
8738 |
84.9 |
-53.4 |
0.000 |
0 |
0 |
0 |
0.495 |
37 |
|
[K]E:406 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
8808 |
83.8 |
-51.2 |
0.000 |
0 |
0 |
0 |
0.495 |
Average: |
88.1 |
-55.9 |
0.000 |
0 |
0 |
0 |
0.495 |
23 |
38 |
|
[K]F:408 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
14 |
4 |
9337 |
92.2 |
-59.1 |
0.000 |
0 |
0 |
0 |
0.411 |
39 |
|
[K]H:405 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
15 |
5 |
9234 |
91.5 |
-59.6 |
0.000 |
0 |
0 |
0 |
0.411 |
40 |
|
[K]B:410 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
9218 |
89.2 |
-57.0 |
0.000 |
0 |
0 |
0 |
0.411 |
Average: |
91.0 |
-58.6 |
0.000 |
0 |
0 |
0 |
0.411 |
24 |
41 |
|
[K]C:402 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
15 |
9 |
9317 |
91.7 |
-64.0 |
0.000 |
0 |
0 |
0 |
0.745 |
42 |
|
[K]G:404 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
14 |
9 |
9234 |
91.1 |
-64.6 |
0.000 |
0 |
0 |
0 |
0.745 |
43 |
|
[K]E:403 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
14 |
9 |
9337 |
89.3 |
-63.1 |
0.000 |
0 |
0 |
0 |
0.745 |
44 |
|
[K]A:401 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
9218 |
89.2 |
-63.7 |
0.000 |
0 |
0 |
0 |
0.745 |
Average: |
90.3 |
-63.9 |
0.000 |
0 |
0 |
0 |
0.745 |
25 |
45 |
|
K |
12 |
1 |
6670 |
◊ |
K |
-x,y,-z+1 |
2_556 |
12 |
1 |
6670 |
86.3 |
3.0 |
0.871 |
0 |
0 |
0 |
0.000 |
26 |
46 |
|
D |
6 |
3 |
9317 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
8834 |
83.2 |
-2.0 |
0.098 |
0 |
0 |
0 |
0.012 |
47 |
|
H |
6 |
3 |
9234 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
8808 |
77.5 |
-2.0 |
0.093 |
0 |
0 |
0 |
0.012 |
48 |
|
F |
5 |
3 |
9337 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
8938 |
76.9 |
-1.9 |
0.092 |
0 |
0 |
0 |
0.012 |
49 |
|
B |
6 |
3 |
9218 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
8738 |
76.6 |
-1.9 |
0.115 |
0 |
0 |
0 |
0.012 |
Average: |
78.5 |
-1.9 |
0.100 |
0 |
0 |
0 |
0.012 |
27 |
50 |
|
L |
11 |
1 |
6679 |
◊ |
K |
-x,y,-z+1 |
2_556 |
9 |
1 |
6670 |
76.4 |
0.9 |
0.739 |
0 |
0 |
0 |
0.000 |
28 |
51 |
|
[K]E:403 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
13 |
4 |
8808 |
70.9 |
-45.0 |
0.000 |
0 |
0 |
0 |
0.194 |
52 |
|
[K]A:401 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
8834 |
70.8 |
-44.3 |
0.000 |
0 |
0 |
0 |
0.194 |
53 |
|
[K]C:402 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
8738 |
70.3 |
-44.1 |
0.000 |
0 |
0 |
0 |
0.194 |
54 |
|
[K]G:404 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
13 |
4 |
8938 |
69.7 |
-44.5 |
0.000 |
0 |
0 |
0 |
0.194 |
Average: |
70.4 |
-44.5 |
0.000 |
0 |
0 |
0 |
0.194 |
29 |
55 |
|
[K]A:409 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
8738 |
69.3 |
-44.6 |
0.000 |
0 |
0 |
0 |
0.349 |
56 |
|
[K]E:406 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
8938 |
66.6 |
-42.0 |
0.000 |
0 |
0 |
0 |
0.349 |
57 |
|
[K]C:411 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
8834 |
59.9 |
-36.2 |
0.000 |
0 |
0 |
0 |
0.349 |
58 |
|
[K]G:407 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
8808 |
57.7 |
-35.0 |
0.000 |
0 |
0 |
0 |
0.349 |
Average: |
63.4 |
-39.4 |
0.000 |
0 |
0 |
0 |
0.349 |
30 |
59 |
|
H |
10 |
4 |
9234 |
◊ |
A |
x,y,z-1 |
1_554 |
7 |
1 |
8834 |
68.2 |
-0.5 |
0.573 |
0 |
0 |
0 |
0.000 |
31 |
60 |
|
[K]B:410 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
9317 |
61.8 |
-37.4 |
0.000 |
0 |
0 |
0 |
0.196 |
61 |
|
[K]H:405 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
10 |
3 |
9337 |
61.4 |
-37.3 |
0.000 |
0 |
0 |
0 |
0.196 |
62 |
|
[K]F:408 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
9 |
3 |
9234 |
53.9 |
-31.7 |
0.000 |
0 |
0 |
0 |
0.196 |
Average: |
59.0 |
-35.5 |
0.000 |
0 |
0 |
0 |
0.196 |
32 |
63 |
|
D |
6 |
3 |
9317 |
◊ |
E |
-x,y,-z+1 |
2_556 |
7 |
4 |
8808 |
55.9 |
-0.0 |
0.572 |
1 |
0 |
0 |
0.000 |
33 |
64 |
|
G |
6 |
2 |
8938 |
◊ |
E |
-x,y,-z |
2_555 |
3 |
1 |
8808 |
43.0 |
-0.1 |
0.422 |
0 |
0 |
0 |
0.000 |
34 |
65 |
|
I |
4 |
1 |
6696 |
◊ |
L |
-x-1/2,y-1/2,-z |
4_445 |
6 |
1 |
6679 |
41.7 |
1.7 |
0.812 |
0 |
0 |
0 |
0.000 |
35 |
66 |
|
A |
7 |
2 |
8834 |
x |
A |
-x-1/2,y-1/2,-z+1 |
4_446 |
5 |
2 |
8834 |
41.3 |
-0.1 |
0.537 |
0 |
0 |
0 |
0.000 |
36 |
67 |
|
[NI]H:308 |
1 |
1 |
115 |
cf |
H |
x,y,z |
1_555 |
9 |
4 |
9234 |
40.8 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.086 |
68 |
|
[NI]D:304 |
1 |
1 |
115 |
cf |
D |
x,y,z |
1_555 |
9 |
4 |
9317 |
40.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.086 |
69 |
|
[NI]D:301 |
1 |
1 |
115 |
cf |
B |
x,y,z |
1_555 |
6 |
4 |
9218 |
40.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.086 |
70 |
|
[NI]F:305 |
1 |
1 |
115 |
cf |
F |
x,y,z |
1_555 |
6 |
4 |
9337 |
40.1 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.086 |
Average: |
40.5 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.086 |
37 |
71 |
|
[NI]G:307 |
1 |
1 |
115 |
cf |
G |
x,y,z |
1_555 |
7 |
5 |
8938 |
40.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.064 |
72 |
|
[NI]A:302 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
8834 |
40.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.064 |
73 |
|
[NI]C:303 |
1 |
1 |
115 |
cf |
C |
x,y,z |
1_555 |
6 |
4 |
8738 |
39.6 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.064 |
74 |
|
[NI]E:306 |
1 |
1 |
115 |
cf |
E |
x,y,z |
1_555 |
6 |
3 |
8808 |
39.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.064 |
Average: |
40.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.064 |
38 |
75 |
|
B |
5 |
2 |
9218 |
◊ |
A |
-x-1/2,y-1/2,-z+1 |
4_446 |
8 |
3 |
8834 |
39.1 |
0.1 |
0.689 |
0 |
1 |
0 |
0.000 |
39 |
76 |
|
[NI]G:307 |
1 |
1 |
115 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
8808 |
38.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.040 |
77 |
|
[NI]A:302 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
8738 |
36.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.040 |
78 |
|
[NI]E:306 |
1 |
1 |
115 |
c |
G |
x,y,z |
1_555 |
4 |
2 |
8938 |
36.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.040 |
79 |
|
[NI]C:303 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
8834 |
35.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
36.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.040 |
40 |
80 |
|
[NI]D:304 |
1 |
1 |
115 |
c |
B |
x,y,z |
1_555 |
4 |
2 |
9218 |
37.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.036 |
81 |
|
[NI]H:308 |
1 |
1 |
115 |
c |
F |
x,y,z |
1_555 |
4 |
2 |
9337 |
36.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.036 |
82 |
|
[NI]D:301 |
1 |
1 |
115 |
c |
D |
x,y,z |
1_555 |
4 |
2 |
9317 |
35.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.036 |
83 |
|
[NI]F:305 |
1 |
1 |
115 |
c |
H |
x,y,z |
1_555 |
4 |
2 |
9234 |
35.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
36.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.036 |
41 |
84 |
|
[K]C:411 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
9218 |
36.5 |
-19.0 |
0.000 |
0 |
0 |
0 |
0.085 |
85 |
|
[K]E:406 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
9234 |
30.6 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.085 |
86 |
|
[K]G:407 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
3 |
3 |
9337 |
18.0 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.085 |
87 |
|
[K]A:409 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
9317 |
9.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
23.6 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.085 |
42 |
88 |
|
I |
3 |
1 |
6696 |
◊ |
A |
-x-1/2,y-1/2,-z+1 |
4_446 |
2 |
2 |
8834 |
28.7 |
-1.9 |
0.199 |
0 |
0 |
0 |
0.000 |
43 |
89 |
|
[K]F:408 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
8938 |
27.9 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.062 |
90 |
|
[K]B:410 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
8738 |
27.7 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.062 |
91 |
|
[K]H:405 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
8808 |
22.5 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.062 |
Average: |
26.1 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.062 |
44 |
92 |
|
I |
5 |
1 |
6696 |
◊ |
I |
-x,y,-z+2 |
2_557 |
5 |
1 |
6696 |
27.4 |
-1.3 |
0.451 |
0 |
0 |
0 |
0.000 |
45 |
93 |
|
L |
7 |
1 |
6679 |
◊ |
F |
-x,y,-z+1 |
2_556 |
4 |
1 |
9337 |
27.4 |
0.4 |
0.610 |
0 |
0 |
0 |
0.000 |
46 |
94 |
|
J |
4 |
1 |
6666 |
◊ |
J |
-x,y,-z+2 |
2_557 |
4 |
1 |
6666 |
24.7 |
1.0 |
0.714 |
0 |
0 |
0 |
0.000 |
47 |
95 |
|
B |
4 |
2 |
9218 |
◊ |
K |
-x-1/2,y-1/2,-z |
4_445 |
3 |
1 |
6670 |
22.4 |
-0.2 |
0.531 |
0 |
0 |
0 |
0.000 |
48 |
96 |
|
F |
3 |
1 |
9337 |
◊ |
F |
-x,y,-z+1 |
2_556 |
3 |
1 |
9337 |
21.2 |
0.4 |
0.765 |
0 |
0 |
0 |
0.000 |
49 |
97 |
|
I |
1 |
1 |
6696 |
◊ |
D |
-x,y,-z+2 |
2_557 |
1 |
1 |
9317 |
4.2 |
-0.0 |
0.468 |
0 |
0 |
0 |
0.000 |
50 |
98 |
|
J |
1 |
1 |
6666 |
◊ |
F |
-x,y-1,-z+1 |
2_546 |
1 |
1 |
9337 |
3.3 |
-0.1 |
0.405 |
0 |
0 |
0 |
0.000 |
51 |
99 |
|
[K]A:409 |
1 |
1 |
216 |
◊ |
[NI]C:303 |
x,y,z |
1_555 |
1 |
1 |
115 |
3.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.009 |
52 |
100 |
|
J |
1 |
1 |
6666 |
◊ |
K |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
6670 |
1.8 |
0.0 |
0.416 |
0 |
0 |
0 |
0.000 |
|