## |
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 |
103 |
27 |
6989 |
◊ |
A |
x,y,z |
1_555 |
102 |
26 |
7046 |
994.9 |
-7.8 |
0.476 |
17 |
6 |
0 |
1.000 |
2 |
2 |
|
A |
64 |
20 |
7046 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
76 |
21 |
6162 |
669.9 |
-5.3 |
0.342 |
3 |
0 |
0 |
0.000 |
3 |
|
B |
60 |
18 |
6989 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
66 |
19 |
6075 |
632.3 |
-6.6 |
0.291 |
3 |
0 |
0 |
0.000 |
Average: |
651.1 |
-6.0 |
0.316 |
3 |
0 |
0 |
0.000 |
3 |
4 |
|
G |
63 |
11 |
1573 |
◊ |
B |
x,y,z |
1_555 |
83 |
20 |
6989 |
625.4 |
-12.3 |
0.257 |
5 |
0 |
0 |
0.657 |
5 |
|
F |
66 |
11 |
1565 |
◊ |
A |
x,y,z |
1_555 |
79 |
19 |
7046 |
608.6 |
-13.6 |
0.160 |
4 |
0 |
0 |
0.657 |
Average: |
617.0 |
-13.0 |
0.208 |
5 |
0 |
0 |
0.657 |
4 |
6 |
|
H |
48 |
8 |
1228 |
◊ |
C |
x,y,z |
1_555 |
69 |
20 |
6162 |
506.0 |
-10.4 |
0.235 |
3 |
0 |
0 |
0.573 |
7 |
|
I |
49 |
8 |
1225 |
◊ |
D |
x,y,z |
1_555 |
66 |
22 |
6075 |
493.0 |
-10.2 |
0.219 |
3 |
0 |
0 |
0.573 |
Average: |
499.5 |
-10.3 |
0.227 |
3 |
0 |
0 |
0.573 |
5 |
8 |
|
B |
48 |
12 |
6989 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
45 |
12 |
6075 |
376.1 |
-0.9 |
0.589 |
5 |
0 |
0 |
0.059 |
9 |
|
A |
49 |
14 |
7046 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
47 |
13 |
6162 |
353.9 |
-1.0 |
0.554 |
6 |
0 |
0 |
0.059 |
Average: |
365.0 |
-0.9 |
0.571 |
6 |
0 |
0 |
0.059 |
6 |
10 |
|
C |
42 |
11 |
6162 |
◊ |
A |
x,y,z |
1_555 |
37 |
8 |
7046 |
360.0 |
-2.5 |
0.485 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
D |
39 |
11 |
6075 |
◊ |
B |
x,y,z |
1_555 |
31 |
7 |
6989 |
310.6 |
-2.1 |
0.478 |
1 |
0 |
0 |
0.000 |
8 |
12 |
|
C |
26 |
9 |
6162 |
◊ |
B |
x,y,z |
1_555 |
27 |
10 |
6989 |
228.0 |
0.1 |
0.617 |
3 |
0 |
0 |
0.000 |
9 |
13 |
|
A |
24 |
9 |
7046 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
24 |
6 |
6075 |
215.8 |
-1.4 |
0.534 |
2 |
0 |
0 |
0.000 |
10 |
14 |
|
D |
24 |
6 |
6075 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
7046 |
207.7 |
0.2 |
0.499 |
4 |
0 |
0 |
0.000 |
11 |
15 |
|
F |
23 |
5 |
1565 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
27 |
7 |
6162 |
159.6 |
-0.9 |
0.689 |
2 |
0 |
0 |
0.029 |
12 |
16 |
|
G |
22 |
6 |
1573 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
25 |
8 |
6075 |
156.6 |
-1.4 |
0.680 |
1 |
0 |
0 |
0.031 |
13 |
17 |
|
D |
19 |
9 |
6075 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
16 |
5 |
6075 |
145.4 |
-2.2 |
0.323 |
0 |
0 |
0 |
0.000 |
18 |
|
C |
19 |
8 |
6162 |
x |
C |
-x-1,y-1/2,-z-1 |
2_444 |
13 |
4 |
6162 |
139.4 |
-1.9 |
0.328 |
0 |
0 |
0 |
0.000 |
Average: |
142.4 |
-2.1 |
0.326 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
B |
19 |
7 |
6989 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
13 |
3 |
6162 |
137.1 |
-0.6 |
0.595 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
A |
24 |
4 |
7046 |
◊ |
H |
-x,y-1/2,-z-1 |
2_544 |
20 |
4 |
1228 |
136.9 |
-1.4 |
0.705 |
1 |
0 |
0 |
0.032 |
21 |
|
B |
23 |
4 |
6989 |
◊ |
I |
-x,y-1/2,-z |
2_545 |
20 |
4 |
1225 |
136.5 |
-1.4 |
0.708 |
1 |
0 |
0 |
0.032 |
Average: |
136.7 |
-1.4 |
0.707 |
1 |
0 |
0 |
0.032 |
16 |
22 |
|
F |
13 |
3 |
1565 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
6989 |
130.6 |
-1.6 |
0.552 |
2 |
0 |
0 |
0.081 |
23 |
|
G |
12 |
3 |
1573 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
7046 |
129.2 |
-1.6 |
0.542 |
3 |
0 |
0 |
0.081 |
Average: |
129.9 |
-1.6 |
0.547 |
3 |
0 |
0 |
0.081 |
17 |
24 |
|
C |
10 |
3 |
6162 |
◊ |
D |
x-1,y,z |
1_455 |
13 |
3 |
6075 |
121.6 |
2.0 |
0.853 |
1 |
0 |
0 |
0.000 |
18 |
25 |
|
[2JN]H:24 |
8 |
1 |
309 |
cf |
H |
x,y,z |
1_555 |
13 |
4 |
1228 |
103.6 |
-1.5 |
0.810 |
1 |
0 |
0 |
0.095 |
26 |
|
[2JN]I:24 |
7 |
1 |
309 |
cf |
I |
x,y,z |
1_555 |
15 |
4 |
1225 |
95.5 |
-1.4 |
0.819 |
1 |
0 |
0 |
0.095 |
Average: |
99.5 |
-1.5 |
0.814 |
1 |
0 |
0 |
0.095 |
19 |
27 |
|
[2JN]G:24 |
8 |
1 |
312 |
cf |
G |
x,y,z |
1_555 |
13 |
5 |
1573 |
101.7 |
-1.0 |
0.859 |
2 |
0 |
0 |
0.086 |
20 |
28 |
|
[2JN]F:24 |
8 |
1 |
311 |
cf |
F |
x,y,z |
1_555 |
14 |
6 |
1565 |
99.8 |
-1.0 |
0.847 |
2 |
0 |
0 |
0.082 |
21 |
29 |
|
A |
10 |
4 |
7046 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
3 |
6989 |
86.7 |
-0.8 |
0.496 |
1 |
0 |
0 |
0.000 |
22 |
30 |
|
[2JN]H:20 |
7 |
1 |
310 |
cf |
H |
x,y,z |
1_555 |
13 |
4 |
1228 |
83.7 |
-1.1 |
0.831 |
2 |
0 |
0 |
0.095 |
31 |
|
[2JN]I:20 |
8 |
1 |
311 |
cf |
I |
x,y,z |
1_555 |
14 |
4 |
1225 |
83.3 |
-1.0 |
0.846 |
1 |
0 |
0 |
0.095 |
Average: |
83.5 |
-1.1 |
0.839 |
2 |
0 |
0 |
0.095 |
23 |
32 |
|
[2JN]F:20 |
8 |
1 |
313 |
cf |
F |
x,y,z |
1_555 |
15 |
5 |
1565 |
83.3 |
-1.1 |
0.829 |
1 |
0 |
0 |
0.088 |
33 |
|
[2JN]G:20 |
7 |
1 |
311 |
cf |
G |
x,y,z |
1_555 |
16 |
4 |
1573 |
82.4 |
-1.1 |
0.845 |
2 |
0 |
0 |
0.088 |
Average: |
82.8 |
-1.1 |
0.837 |
2 |
0 |
0 |
0.088 |
24 |
34 |
|
[2JN]F:20 |
8 |
1 |
313 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
15 |
4 |
6162 |
65.0 |
-1.3 |
0.530 |
1 |
0 |
0 |
0.029 |
35 |
|
B |
12 |
3 |
6989 |
◊ |
[2JN]I:20 |
-x,y-1/2,-z |
2_545 |
8 |
1 |
311 |
62.8 |
-1.2 |
0.620 |
1 |
0 |
0 |
0.029 |
Average: |
63.9 |
-1.3 |
0.575 |
1 |
0 |
0 |
0.029 |
25 |
36 |
|
A |
9 |
5 |
7046 |
◊ |
[ACE]H:16 |
-x,y-1/2,-z-1 |
2_544 |
3 |
1 |
172 |
61.7 |
-0.6 |
0.709 |
1 |
0 |
0 |
0.016 |
37 |
|
B |
8 |
3 |
6989 |
◊ |
[ACE]I:16 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
171 |
58.1 |
-0.5 |
0.722 |
1 |
0 |
0 |
0.016 |
Average: |
59.9 |
-0.5 |
0.715 |
1 |
0 |
0 |
0.016 |
26 |
38 |
|
[2JN]I:20 |
6 |
1 |
311 |
◊ |
D |
x,y,z |
1_555 |
18 |
6 |
6075 |
61.6 |
-1.7 |
0.424 |
0 |
0 |
0 |
0.085 |
39 |
|
[2JN]F:20 |
6 |
1 |
313 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
7046 |
61.0 |
-1.7 |
0.426 |
0 |
0 |
0 |
0.085 |
Average: |
61.3 |
-1.7 |
0.425 |
0 |
0 |
0 |
0.085 |
27 |
40 |
|
[2JN]G:20 |
8 |
1 |
311 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
13 |
4 |
6075 |
61.5 |
-1.0 |
0.658 |
1 |
0 |
0 |
0.024 |
41 |
|
A |
12 |
3 |
7046 |
◊ |
[2JN]H:20 |
-x,y-1/2,-z-1 |
2_544 |
8 |
1 |
310 |
58.4 |
-0.9 |
0.710 |
1 |
0 |
0 |
0.024 |
Average: |
60.0 |
-0.9 |
0.684 |
1 |
0 |
0 |
0.024 |
28 |
42 |
|
[ACE]F:16 |
3 |
1 |
172 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
10 |
4 |
6162 |
60.0 |
-0.3 |
0.756 |
1 |
0 |
0 |
0.012 |
29 |
43 |
|
[2JN]I:24 |
5 |
1 |
309 |
◊ |
D |
x,y,z |
1_555 |
18 |
5 |
6075 |
55.7 |
-1.6 |
0.499 |
0 |
0 |
0 |
0.078 |
44 |
|
[2JN]F:24 |
5 |
1 |
311 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
7046 |
51.7 |
-1.4 |
0.521 |
0 |
0 |
0 |
0.078 |
Average: |
53.7 |
-1.5 |
0.510 |
0 |
0 |
0 |
0.078 |
30 |
45 |
|
[2JN]H:20 |
6 |
1 |
310 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
6162 |
55.1 |
-1.7 |
0.236 |
0 |
0 |
0 |
0.083 |
46 |
|
[2JN]G:20 |
6 |
1 |
311 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
6989 |
53.3 |
-1.6 |
0.346 |
0 |
0 |
0 |
0.083 |
Average: |
54.2 |
-1.7 |
0.291 |
0 |
0 |
0 |
0.083 |
31 |
47 |
|
[ACE]H:16 |
3 |
1 |
172 |
cf |
H |
x,y,z |
1_555 |
6 |
2 |
1228 |
54.5 |
-0.2 |
0.890 |
1 |
0 |
0 |
0.033 |
48 |
|
[ACE]I:16 |
3 |
1 |
171 |
cf |
I |
x,y,z |
1_555 |
6 |
2 |
1225 |
54.2 |
-0.2 |
0.888 |
1 |
0 |
0 |
0.033 |
Average: |
54.3 |
-0.2 |
0.889 |
1 |
0 |
0 |
0.033 |
32 |
49 |
|
[ACE]F:16 |
3 |
1 |
172 |
cf |
F |
x,y,z |
1_555 |
6 |
2 |
1565 |
53.6 |
-0.1 |
0.884 |
1 |
0 |
0 |
0.025 |
33 |
50 |
|
[2JN]H:24 |
5 |
1 |
309 |
cf |
[2JN]H:20 |
x,y,z |
1_555 |
5 |
1 |
310 |
51.5 |
-0.9 |
0.827 |
1 |
0 |
0 |
0.065 |
51 |
|
[2JN]G:24 |
5 |
1 |
312 |
cf |
[2JN]G:20 |
x,y,z |
1_555 |
6 |
1 |
311 |
49.7 |
-0.9 |
0.855 |
1 |
0 |
0 |
0.065 |
Average: |
50.6 |
-0.9 |
0.841 |
1 |
0 |
0 |
0.065 |
34 |
52 |
|
[2JN]I:24 |
5 |
1 |
309 |
cf |
[2JN]I:20 |
x,y,z |
1_555 |
6 |
1 |
311 |
50.1 |
-0.9 |
0.843 |
1 |
0 |
0 |
0.066 |
53 |
|
[2JN]F:24 |
5 |
1 |
311 |
cf |
[2JN]F:20 |
x,y,z |
1_555 |
6 |
1 |
313 |
49.3 |
-0.9 |
0.851 |
1 |
0 |
0 |
0.066 |
Average: |
49.7 |
-0.9 |
0.847 |
1 |
0 |
0 |
0.066 |
35 |
54 |
|
[2JN]G:24 |
5 |
1 |
312 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
6989 |
44.3 |
-1.3 |
0.511 |
0 |
0 |
0 |
0.062 |
55 |
|
[2JN]H:24 |
5 |
1 |
309 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
6162 |
43.7 |
-1.3 |
0.468 |
0 |
0 |
0 |
0.062 |
Average: |
44.0 |
-1.3 |
0.489 |
0 |
0 |
0 |
0.062 |
36 |
56 |
|
[NH2]F:31 |
1 |
1 |
117 |
cf |
F |
x,y,z |
1_555 |
6 |
4 |
1565 |
43.0 |
0.6 |
0.862 |
0 |
0 |
0 |
0.000 |
57 |
|
[NH2]G:31 |
1 |
1 |
117 |
cf |
G |
x,y,z |
1_555 |
6 |
4 |
1573 |
42.2 |
0.6 |
0.862 |
0 |
0 |
0 |
0.000 |
Average: |
42.6 |
0.6 |
0.862 |
0 |
0 |
0 |
0.000 |
37 |
58 |
|
[2JN]G:20 |
4 |
1 |
311 |
◊ |
[2JN]I:20 |
-x,y-1/2,-z |
2_545 |
5 |
1 |
311 |
34.2 |
-1.1 |
0.735 |
0 |
0 |
0 |
0.018 |
59 |
|
[2JN]F:20 |
5 |
1 |
313 |
◊ |
[2JN]H:20 |
-x,y-1/2,-z-1 |
2_544 |
4 |
1 |
310 |
33.1 |
-1.0 |
0.735 |
0 |
0 |
0 |
0.018 |
Average: |
33.6 |
-1.1 |
0.735 |
0 |
0 |
0 |
0.018 |
38 |
60 |
|
[NH2]G:31 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
7046 |
34.1 |
-0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
61 |
|
[NH2]F:31 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
6989 |
32.8 |
-0.0 |
0.657 |
0 |
0 |
0 |
0.000 |
Average: |
33.5 |
-0.0 |
0.648 |
0 |
0 |
0 |
0.000 |
39 |
62 |
|
[ACE]F:16 |
1 |
1 |
172 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
2 |
6989 |
31.9 |
-0.7 |
0.600 |
0 |
0 |
0 |
0.000 |
40 |
63 |
|
[2JN]F:24 |
3 |
1 |
311 |
◊ |
[2JN]H:20 |
-x,y-1/2,-z-1 |
2_544 |
5 |
1 |
310 |
30.4 |
-1.0 |
0.718 |
0 |
0 |
0 |
0.017 |
64 |
|
[2JN]G:20 |
3 |
1 |
311 |
◊ |
[2JN]I:24 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
309 |
30.3 |
-1.0 |
0.632 |
0 |
0 |
0 |
0.017 |
Average: |
30.3 |
-1.0 |
0.675 |
0 |
0 |
0 |
0.017 |
41 |
65 |
|
[2JN]F:24 |
3 |
1 |
311 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
5 |
2 |
6162 |
29.9 |
-1.1 |
0.289 |
0 |
0 |
0 |
0.017 |
42 |
66 |
|
[2JN]G:24 |
4 |
1 |
312 |
◊ |
[2JN]I:24 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
309 |
27.7 |
-0.9 |
0.729 |
0 |
0 |
0 |
0.015 |
43 |
67 |
|
A |
5 |
3 |
7046 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
2 |
2 |
6989 |
26.4 |
-0.2 |
0.581 |
0 |
0 |
0 |
0.000 |
68 |
|
B |
2 |
1 |
6989 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
7046 |
8.2 |
-0.0 |
0.615 |
0 |
0 |
0 |
0.000 |
Average: |
17.3 |
-0.1 |
0.598 |
0 |
0 |
0 |
0.000 |
44 |
69 |
|
[2JN]F:24 |
4 |
1 |
311 |
◊ |
[2JN]H:24 |
-x,y-1/2,-z-1 |
2_544 |
4 |
1 |
309 |
26.3 |
-0.8 |
0.811 |
0 |
0 |
0 |
0.014 |
45 |
70 |
|
[2JN]G:24 |
2 |
1 |
312 |
◊ |
[2JN]I:20 |
-x,y-1/2,-z |
2_545 |
5 |
1 |
311 |
25.7 |
-0.8 |
0.699 |
0 |
0 |
0 |
0.013 |
71 |
|
[2JN]F:20 |
5 |
1 |
313 |
◊ |
[2JN]H:24 |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
309 |
21.9 |
-0.7 |
0.571 |
0 |
0 |
0 |
0.013 |
Average: |
23.8 |
-0.7 |
0.635 |
0 |
0 |
0 |
0.013 |
46 |
72 |
|
[2JN]G:24 |
3 |
1 |
312 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
4 |
3 |
6075 |
23.5 |
-0.8 |
0.393 |
0 |
0 |
0 |
0.013 |
47 |
73 |
|
[NH2]F:31 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
7046 |
23.1 |
-0.1 |
0.597 |
0 |
0 |
0 |
0.004 |
74 |
|
[NH2]G:31 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6989 |
22.6 |
-0.1 |
0.546 |
0 |
0 |
0 |
0.004 |
Average: |
22.9 |
-0.1 |
0.571 |
0 |
0 |
0 |
0.004 |
48 |
75 |
|
A |
4 |
2 |
7046 |
◊ |
[2JN]H:24 |
-x,y-1/2,-z-1 |
2_544 |
3 |
1 |
309 |
22.9 |
-0.7 |
0.473 |
0 |
0 |
0 |
0.012 |
49 |
76 |
|
B |
5 |
2 |
6989 |
◊ |
[2JN]I:24 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
309 |
22.5 |
-0.8 |
0.437 |
0 |
0 |
0 |
0.013 |
50 |
77 |
|
[ACE]F:16 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
7046 |
13.0 |
-0.1 |
0.787 |
0 |
0 |
0 |
0.006 |
51 |
78 |
|
[2JN]G:24 |
1 |
1 |
312 |
◊ |
I |
-x,y-1/2,-z |
2_545 |
2 |
1 |
1225 |
11.0 |
-0.1 |
0.756 |
0 |
0 |
0 |
0.002 |
52 |
79 |
|
A |
1 |
1 |
7046 |
◊ |
G |
x,y,z-1 |
1_554 |
1 |
1 |
1573 |
10.1 |
0.2 |
0.833 |
0 |
0 |
0 |
0.000 |
53 |
80 |
|
[ACE]H:16 |
2 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
6162 |
6.9 |
-0.1 |
0.796 |
0 |
0 |
0 |
0.003 |
81 |
|
[ACE]I:16 |
1 |
1 |
171 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
6075 |
6.6 |
-0.0 |
0.732 |
0 |
0 |
0 |
0.003 |
Average: |
6.7 |
-0.0 |
0.764 |
0 |
0 |
0 |
0.003 |
54 |
82 |
|
A |
1 |
1 |
7046 |
x |
A |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
7046 |
5.6 |
0.1 |
0.563 |
0 |
0 |
0 |
0.000 |
83 |
|
B |
1 |
1 |
6989 |
x |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
6989 |
1.4 |
0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
Average: |
3.5 |
0.1 |
0.609 |
0 |
0 |
0 |
0.000 |
55 |
84 |
|
F |
1 |
1 |
1565 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
6989 |
5.2 |
-0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
56 |
85 |
|
[2JN]G:20 |
1 |
1 |
311 |
◊ |
I |
-x,y-1/2,-z |
2_545 |
1 |
1 |
1225 |
4.6 |
0.0 |
0.772 |
0 |
0 |
0 |
0.000 |
57 |
86 |
|
F |
2 |
1 |
1565 |
◊ |
[2JN]H:24 |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
309 |
4.2 |
-0.0 |
0.745 |
0 |
0 |
0 |
0.000 |
58 |
87 |
|
[2JN]F:24 |
1 |
1 |
311 |
◊ |
H |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
1228 |
2.4 |
0.0 |
0.752 |
0 |
0 |
0 |
0.000 |
59 |
88 |
|
F |
1 |
1 |
1565 |
◊ |
[2JN]H:20 |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
310 |
1.3 |
0.0 |
0.758 |
0 |
0 |
0 |
0.000 |
60 |
89 |
|
G |
1 |
1 |
1573 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
6075 |
1.1 |
0.0 |
0.749 |
0 |
0 |
0 |
0.000 |
90 |
|
F |
1 |
1 |
1565 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6162 |
0.3 |
0.0 |
0.722 |
0 |
0 |
0 |
0.000 |
Average: |
0.7 |
0.0 |
0.736 |
0 |
0 |
0 |
0.000 |
61 |
91 |
|
G |
1 |
1 |
1573 |
◊ |
[2JN]I:24 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
309 |
0.7 |
0.0 |
0.758 |
0 |
0 |
0 |
0.000 |
|