| ## |
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 |
|
H |
97 |
20 |
7429 |
◊ |
G |
x,y,z |
1_555 |
94 |
20 |
7332 |
852.8 |
-6.5 |
0.148 |
8 |
8 |
0 |
0.764 |
2 |
|
J |
96 |
20 |
7466 |
◊ |
I |
x,y,z |
1_555 |
95 |
20 |
7424 |
851.0 |
-8.3 |
0.105 |
8 |
8 |
0 |
0.764 |
3 |
|
L |
92 |
19 |
7282 |
◊ |
K |
x,y,z |
1_555 |
94 |
20 |
7528 |
850.7 |
-7.5 |
0.100 |
9 |
8 |
0 |
0.764 |
4 |
|
C |
92 |
20 |
7473 |
◊ |
B |
x,y,z |
1_555 |
96 |
20 |
7483 |
849.2 |
-8.6 |
0.073 |
7 |
8 |
0 |
0.764 |
5 |
|
F |
98 |
20 |
7323 |
◊ |
A |
x,y,z |
1_555 |
95 |
20 |
7342 |
847.3 |
-8.7 |
0.087 |
7 |
8 |
0 |
0.764 |
6 |
|
E |
93 |
20 |
7303 |
◊ |
D |
x,y,z |
1_555 |
97 |
20 |
7416 |
844.2 |
-9.2 |
0.079 |
8 |
8 |
0 |
0.764 |
| Average: |
849.2 |
-8.1 |
0.098 |
8 |
8 |
0 |
0.764 |
| 2 |
7 |
|
D |
80 |
21 |
7416 |
◊ |
C |
x,y,z |
1_555 |
77 |
21 |
7473 |
765.3 |
2.3 |
0.643 |
7 |
12 |
0 |
0.000 |
8 |
|
L |
81 |
21 |
7282 |
◊ |
G |
x,y,z |
1_555 |
80 |
21 |
7332 |
740.8 |
1.4 |
0.556 |
8 |
14 |
0 |
0.000 |
9 |
|
B |
73 |
19 |
7483 |
◊ |
A |
x,y,z |
1_555 |
81 |
23 |
7342 |
734.7 |
2.6 |
0.659 |
8 |
12 |
0 |
0.000 |
10 |
|
F |
75 |
20 |
7323 |
◊ |
E |
x,y,z |
1_555 |
80 |
22 |
7303 |
726.8 |
1.2 |
0.602 |
7 |
12 |
0 |
0.000 |
11 |
|
K |
71 |
19 |
7528 |
◊ |
J |
x,y,z |
1_555 |
78 |
21 |
7466 |
721.2 |
0.2 |
0.496 |
7 |
12 |
0 |
0.000 |
12 |
|
I |
70 |
19 |
7424 |
◊ |
H |
x,y,z |
1_555 |
70 |
19 |
7429 |
673.4 |
3.3 |
0.670 |
7 |
12 |
0 |
0.000 |
| Average: |
727.0 |
1.8 |
0.605 |
7 |
12 |
0 |
0.000 |
| 3 |
13 |
|
B |
27 |
6 |
7483 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
42 |
13 |
7323 |
286.5 |
2.0 |
0.571 |
4 |
1 |
0 |
0.000 |
| 4 |
14 |
|
J |
29 |
9 |
7466 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
10 |
7429 |
285.4 |
1.7 |
0.675 |
1 |
1 |
0 |
0.000 |
| 5 |
15 |
|
G |
29 |
7 |
7332 |
◊ |
B |
x,y-1,z |
1_545 |
29 |
7 |
7483 |
279.6 |
-2.7 |
0.228 |
1 |
0 |
0 |
0.000 |
| 6 |
16 |
|
[7MT]A:201 |
22 |
1 |
545 |
f |
A |
x,y,z |
1_555 |
34 |
10 |
7342 |
246.8 |
-3.1 |
0.591 |
2 |
0 |
0 |
0.388 |
17 |
|
[7MT]J:202 |
21 |
1 |
536 |
f |
J |
x,y,z |
1_555 |
34 |
9 |
7466 |
246.1 |
-3.1 |
0.581 |
2 |
0 |
0 |
0.388 |
18 |
|
[7MT]B:201 |
21 |
1 |
546 |
f |
B |
x,y,z |
1_555 |
34 |
10 |
7483 |
245.2 |
-3.1 |
0.599 |
2 |
0 |
0 |
0.388 |
19 |
|
[7MT]E:203 |
23 |
1 |
540 |
f |
E |
x,y,z |
1_555 |
34 |
9 |
7303 |
244.6 |
-3.4 |
0.590 |
2 |
0 |
0 |
0.388 |
20 |
|
[7MT]I:201 |
23 |
1 |
546 |
f |
I |
x,y,z |
1_555 |
34 |
10 |
7424 |
244.1 |
-2.8 |
0.636 |
2 |
0 |
0 |
0.388 |
21 |
|
[7MT]G:201 |
20 |
1 |
538 |
f |
G |
x,y,z |
1_555 |
35 |
10 |
7332 |
243.7 |
-3.1 |
0.597 |
2 |
0 |
0 |
0.388 |
22 |
|
[7MT]K:202 |
19 |
1 |
536 |
f |
K |
x,y,z |
1_555 |
32 |
11 |
7528 |
243.5 |
-2.4 |
0.608 |
2 |
0 |
0 |
0.388 |
23 |
|
[7MT]L:201 |
23 |
1 |
541 |
f |
L |
x,y,z |
1_555 |
35 |
10 |
7282 |
240.9 |
-2.9 |
0.599 |
2 |
0 |
0 |
0.388 |
24 |
|
[7MT]F:203 |
22 |
1 |
540 |
f |
F |
x,y,z |
1_555 |
33 |
10 |
7323 |
237.5 |
-3.3 |
0.547 |
2 |
0 |
0 |
0.388 |
| Average: |
243.6 |
-3.0 |
0.594 |
2 |
0 |
0 |
0.388 |
| 7 |
25 |
|
D |
24 |
9 |
7416 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
22 |
6 |
7473 |
207.2 |
1.9 |
0.710 |
0 |
0 |
0 |
0.000 |
| 8 |
26 |
|
K |
30 |
11 |
7528 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
17 |
6 |
7332 |
189.4 |
0.3 |
0.543 |
0 |
1 |
0 |
0.000 |
| 9 |
27 |
|
K |
17 |
4 |
7528 |
◊ |
F |
x,y-1,z+1 |
1_546 |
20 |
7 |
7323 |
169.1 |
0.2 |
0.491 |
1 |
0 |
0 |
0.000 |
| 10 |
28 |
|
C |
26 |
11 |
7473 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
20 |
6 |
7303 |
168.0 |
1.1 |
0.589 |
0 |
0 |
0 |
0.000 |
| 11 |
29 |
|
K |
18 |
6 |
7528 |
◊ |
E |
x,y-1,z+1 |
1_546 |
24 |
7 |
7303 |
163.0 |
0.3 |
0.542 |
0 |
2 |
0 |
0.000 |
| 12 |
30 |
|
K |
15 |
6 |
7528 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
6 |
7429 |
142.0 |
3.5 |
0.868 |
1 |
2 |
0 |
0.000 |
| 13 |
31 |
|
L |
19 |
5 |
7282 |
◊ |
I |
x,y-1,z |
1_545 |
15 |
5 |
7424 |
138.4 |
-0.6 |
0.442 |
0 |
3 |
0 |
0.000 |
| 14 |
32 |
|
L |
15 |
3 |
7282 |
◊ |
I |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
6 |
7424 |
131.2 |
2.1 |
0.751 |
0 |
3 |
0 |
0.000 |
| 15 |
33 |
|
L |
15 |
4 |
7282 |
◊ |
B |
x,y-1,z |
1_545 |
18 |
5 |
7483 |
128.6 |
2.4 |
0.809 |
0 |
0 |
0 |
0.000 |
34 |
|
G |
17 |
6 |
7332 |
◊ |
A |
x,y-1,z |
1_545 |
13 |
4 |
7342 |
120.6 |
2.0 |
0.791 |
1 |
0 |
0 |
0.000 |
| Average: |
124.6 |
2.2 |
0.800 |
1 |
0 |
0 |
0.000 |
| 16 |
35 |
|
C |
11 |
4 |
7473 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
15 |
5 |
7342 |
122.7 |
2.5 |
0.837 |
0 |
3 |
0 |
0.000 |
| 17 |
36 |
|
D |
15 |
4 |
7416 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
15 |
8 |
7342 |
122.4 |
1.0 |
0.679 |
0 |
0 |
0 |
0.000 |
| 18 |
37 |
|
G |
12 |
4 |
7332 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
19 |
7 |
7303 |
121.4 |
0.3 |
0.598 |
0 |
2 |
0 |
0.000 |
| 19 |
38 |
|
E |
15 |
4 |
7303 |
◊ |
I |
x,y,z-1 |
1_554 |
12 |
2 |
7424 |
115.1 |
1.2 |
0.697 |
0 |
0 |
0 |
0.000 |
| 20 |
39 |
|
L |
18 |
7 |
7282 |
◊ |
J |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
2 |
7466 |
108.1 |
2.3 |
0.813 |
0 |
2 |
0 |
0.000 |
| 21 |
40 |
|
F |
13 |
4 |
7323 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
15 |
6 |
7342 |
104.8 |
-0.9 |
0.380 |
0 |
0 |
0 |
0.000 |
| 22 |
41 |
|
[TB]E:201 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
15 |
5 |
7303 |
90.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.173 |
| 23 |
42 |
|
[TB]C:201 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
7473 |
79.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.734 |
43 |
|
[TB]H:201 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
14 |
5 |
7429 |
78.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.734 |
44 |
|
[TB]D:201 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
7416 |
70.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.734 |
| Average: |
76.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.734 |
| 24 |
45 |
|
[TB]F:202 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
7323 |
78.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.270 |
| 25 |
46 |
|
J |
11 |
4 |
7466 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
7473 |
74.4 |
0.2 |
0.536 |
0 |
0 |
0 |
0.000 |
| 26 |
47 |
|
J |
9 |
3 |
7466 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
3 |
7483 |
71.2 |
1.3 |
0.708 |
0 |
2 |
0 |
0.000 |
| 27 |
48 |
|
D |
8 |
3 |
7416 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
13 |
6 |
7323 |
71.2 |
1.2 |
0.739 |
0 |
2 |
0 |
0.000 |
| 28 |
49 |
|
D |
10 |
2 |
7416 |
◊ |
J |
x,y,z-1 |
1_554 |
8 |
4 |
7466 |
70.6 |
-0.7 |
0.312 |
0 |
0 |
0 |
0.000 |
| 29 |
50 |
|
[TB]E:202 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
7303 |
65.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.112 |
| 30 |
51 |
|
[TB]K:201 |
1 |
1 |
216 |
f |
K |
x,y,z |
1_555 |
5 |
1 |
7528 |
63.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.097 |
| 31 |
52 |
|
[IOD]G:202 |
1 |
1 |
144 |
◊ |
[7MT]G:201 |
x,y,z |
1_555 |
8 |
1 |
538 |
62.1 |
-1.5 |
0.756 |
0 |
0 |
0 |
0.034 |
53 |
|
[IOD]A:202 |
1 |
1 |
144 |
◊ |
[7MT]A:201 |
x,y,z |
1_555 |
9 |
1 |
545 |
60.7 |
-1.3 |
0.803 |
0 |
0 |
0 |
0.034 |
54 |
|
[IOD]E:204 |
1 |
1 |
144 |
◊ |
[7MT]E:203 |
x,y,z |
1_555 |
9 |
1 |
540 |
60.4 |
-1.6 |
0.768 |
0 |
0 |
0 |
0.034 |
55 |
|
[IOD]J:203 |
1 |
1 |
144 |
◊ |
[7MT]J:202 |
x,y,z |
1_555 |
8 |
1 |
536 |
59.3 |
-1.5 |
0.738 |
0 |
0 |
0 |
0.034 |
56 |
|
[IOD]B:202 |
1 |
1 |
144 |
◊ |
[7MT]B:201 |
x,y,z |
1_555 |
9 |
1 |
546 |
59.1 |
-1.3 |
0.828 |
0 |
0 |
0 |
0.034 |
57 |
|
[IOD]I:202 |
1 |
1 |
144 |
◊ |
[7MT]I:201 |
x,y,z |
1_555 |
9 |
1 |
546 |
57.9 |
-1.4 |
0.796 |
0 |
0 |
0 |
0.034 |
58 |
|
[IOD]F:204 |
1 |
1 |
144 |
◊ |
[7MT]F:203 |
x,y,z |
1_555 |
8 |
1 |
540 |
57.8 |
-1.6 |
0.736 |
0 |
0 |
0 |
0.034 |
59 |
|
[IOD]K:203 |
1 |
1 |
144 |
◊ |
[7MT]K:202 |
x,y,z |
1_555 |
9 |
1 |
536 |
57.2 |
-1.4 |
0.789 |
0 |
0 |
0 |
0.034 |
60 |
|
[IOD]L:202 |
1 |
1 |
144 |
◊ |
[7MT]L:201 |
x,y,z |
1_555 |
10 |
1 |
541 |
54.2 |
-1.4 |
0.817 |
0 |
0 |
0 |
0.034 |
| Average: |
58.7 |
-1.5 |
0.781 |
0 |
0 |
0 |
0.034 |
| 32 |
61 |
|
[7MT]J:202 |
6 |
1 |
536 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
7429 |
59.8 |
-0.7 |
0.647 |
0 |
0 |
0 |
0.000 |
| 33 |
62 |
|
[TB]D:201 |
1 |
1 |
216 |
f |
[TB]F:202 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
216 |
58.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.550 |
| 34 |
63 |
|
[TB]H:201 |
1 |
1 |
216 |
f |
[IOD]H:202 |
x,y,z |
1_555 |
1 |
1 |
144 |
56.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.364 |
| 35 |
64 |
|
H |
7 |
3 |
7429 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
7473 |
56.0 |
1.2 |
0.782 |
1 |
0 |
0 |
0.000 |
| 36 |
65 |
|
[IOD]B:202 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
7483 |
51.5 |
0.7 |
0.913 |
0 |
0 |
0 |
0.000 |
66 |
|
[IOD]I:202 |
1 |
1 |
144 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
7424 |
48.9 |
1.0 |
0.947 |
0 |
0 |
0 |
0.000 |
67 |
|
[IOD]C:202 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
7473 |
48.8 |
0.6 |
0.904 |
0 |
0 |
0 |
0.000 |
68 |
|
[IOD]H:202 |
1 |
1 |
144 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
7429 |
44.5 |
0.6 |
0.917 |
0 |
0 |
0 |
0.000 |
69 |
|
[IOD]E:204 |
1 |
1 |
144 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
7303 |
43.7 |
0.6 |
0.923 |
0 |
0 |
0 |
0.000 |
70 |
|
[IOD]A:202 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
7342 |
42.7 |
0.5 |
0.939 |
0 |
0 |
0 |
0.000 |
71 |
|
[IOD]J:203 |
1 |
1 |
144 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
7466 |
42.3 |
0.5 |
0.897 |
0 |
0 |
0 |
0.000 |
72 |
|
[IOD]L:202 |
1 |
1 |
144 |
◊ |
L |
x,y,z |
1_555 |
4 |
2 |
7282 |
41.6 |
0.5 |
0.903 |
0 |
0 |
0 |
0.000 |
73 |
|
[IOD]G:202 |
1 |
1 |
144 |
◊ |
G |
x,y,z |
1_555 |
2 |
2 |
7332 |
40.1 |
0.5 |
0.937 |
0 |
0 |
0 |
0.000 |
74 |
|
[IOD]F:204 |
1 |
1 |
144 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
7323 |
40.0 |
0.5 |
0.935 |
0 |
0 |
0 |
0.000 |
75 |
|
[IOD]K:203 |
1 |
1 |
144 |
◊ |
K |
x,y,z |
1_555 |
3 |
2 |
7528 |
33.2 |
0.6 |
0.925 |
0 |
0 |
0 |
0.000 |
| Average: |
43.4 |
0.6 |
0.922 |
0 |
0 |
0 |
0.000 |
| 37 |
76 |
|
[TB]C:201 |
1 |
1 |
216 |
f |
[IOD]C:202 |
x,y,z |
1_555 |
1 |
1 |
144 |
51.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.100 |
| 38 |
77 |
|
[TB]J:201 |
1 |
1 |
216 |
f |
J |
x,y,z |
1_555 |
5 |
3 |
7466 |
46.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.099 |
| 39 |
78 |
|
E |
8 |
2 |
7303 |
◊ |
J |
x,y,z-1 |
1_554 |
2 |
1 |
7466 |
41.2 |
1.4 |
0.799 |
0 |
2 |
0 |
0.000 |
| 40 |
79 |
|
L |
5 |
2 |
7282 |
◊ |
I |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
7424 |
38.1 |
1.3 |
0.828 |
0 |
2 |
0 |
0.000 |
| 41 |
80 |
|
D |
7 |
3 |
7416 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
7342 |
37.1 |
-0.0 |
0.542 |
0 |
0 |
0 |
0.000 |
| 42 |
81 |
|
L |
3 |
2 |
7282 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
7429 |
37.1 |
0.9 |
0.735 |
0 |
1 |
0 |
0.000 |
| 43 |
82 |
|
G |
7 |
5 |
7332 |
◊ |
[TB]E:202 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
216 |
32.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 44 |
83 |
|
L |
4 |
2 |
7282 |
◊ |
[TB]J:201 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
216 |
30.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
84 |
|
C |
2 |
2 |
7473 |
◊ |
[TB]F:201 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
216 |
27.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
28.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 45 |
85 |
|
[TB]K:201 |
1 |
1 |
216 |
◊ |
H |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
7429 |
29.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 46 |
86 |
|
[TB]D:201 |
1 |
1 |
216 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
3 |
1 |
7323 |
29.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.060 |
| 47 |
87 |
|
H |
3 |
1 |
7429 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
7303 |
29.5 |
0.4 |
0.611 |
0 |
0 |
0 |
0.000 |
| 48 |
88 |
|
H |
5 |
3 |
7429 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
7483 |
28.6 |
0.4 |
0.697 |
0 |
0 |
0 |
0.000 |
| 49 |
89 |
|
L |
4 |
1 |
7282 |
◊ |
H |
x,y-1,z |
1_545 |
1 |
1 |
7429 |
27.5 |
-0.0 |
0.482 |
0 |
0 |
0 |
0.000 |
| 50 |
90 |
|
C |
4 |
2 |
7473 |
◊ |
[7MT]E:203 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
540 |
26.7 |
-0.8 |
0.412 |
0 |
0 |
0 |
0.000 |
| 51 |
91 |
|
K |
3 |
1 |
7528 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
7483 |
25.0 |
0.5 |
0.740 |
0 |
0 |
0 |
0.000 |
| 52 |
92 |
|
D |
6 |
3 |
7416 |
◊ |
[7MT]A:201 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
545 |
24.6 |
-0.7 |
0.520 |
0 |
0 |
0 |
0.000 |
| 53 |
93 |
|
K |
4 |
3 |
7528 |
◊ |
H |
-x,y-1/2,-z+1 |
2_546 |
4 |
3 |
7429 |
24.1 |
0.3 |
0.659 |
0 |
0 |
0 |
0.000 |
| 54 |
94 |
|
K |
3 |
2 |
7528 |
◊ |
I |
x,y-1,z |
1_545 |
2 |
2 |
7424 |
23.8 |
1.1 |
0.878 |
0 |
1 |
0 |
0.000 |
| 55 |
95 |
|
[TB]K:201 |
1 |
1 |
216 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
7332 |
23.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 56 |
96 |
|
K |
2 |
2 |
7528 |
◊ |
I |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
7424 |
20.9 |
1.0 |
0.817 |
0 |
1 |
0 |
0.000 |
| 57 |
97 |
|
D |
7 |
1 |
7416 |
◊ |
[TB]F:202 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
216 |
15.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.099 |
| 58 |
98 |
|
C |
3 |
2 |
7473 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
3 |
3 |
7323 |
13.6 |
0.4 |
0.731 |
0 |
0 |
0 |
0.000 |
| 59 |
99 |
|
[7MT]F:203 |
3 |
1 |
540 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
3 |
1 |
7342 |
13.4 |
-0.4 |
0.511 |
0 |
0 |
0 |
0.000 |
| 60 |
100 |
|
[7MT]B:201 |
2 |
1 |
546 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7342 |
12.3 |
0.1 |
0.778 |
0 |
0 |
0 |
0.000 |
101 |
|
[7MT]I:201 |
3 |
1 |
546 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
7429 |
8.4 |
-0.0 |
0.768 |
0 |
0 |
0 |
0.000 |
| Average: |
10.3 |
0.0 |
0.773 |
0 |
0 |
0 |
0.000 |
| 61 |
102 |
|
K |
1 |
1 |
7528 |
◊ |
[7MT]I:201 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
546 |
11.8 |
0.0 |
0.759 |
0 |
0 |
0 |
0.000 |
| 62 |
103 |
|
[7MT]F:203 |
2 |
1 |
540 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
7303 |
11.6 |
-0.0 |
0.743 |
0 |
0 |
0 |
0.000 |
104 |
|
[7MT]J:202 |
2 |
1 |
536 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
7528 |
11.6 |
-0.0 |
0.750 |
0 |
0 |
0 |
0.000 |
105 |
|
[7MT]L:201 |
2 |
1 |
541 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
7332 |
11.0 |
-0.0 |
0.755 |
0 |
0 |
0 |
0.000 |
106 |
|
[7MT]E:203 |
2 |
1 |
540 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
7323 |
10.7 |
-0.0 |
0.756 |
0 |
0 |
0 |
0.000 |
107 |
|
[7MT]A:201 |
3 |
1 |
545 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7483 |
10.7 |
-0.0 |
0.773 |
0 |
0 |
0 |
0.000 |
108 |
|
[7MT]G:201 |
2 |
1 |
538 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
7282 |
10.5 |
-0.0 |
0.755 |
0 |
0 |
0 |
0.000 |
109 |
|
[7MT]K:202 |
2 |
1 |
536 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
7466 |
4.0 |
-0.0 |
0.733 |
0 |
0 |
0 |
0.000 |
| Average: |
10.0 |
-0.0 |
0.752 |
0 |
0 |
0 |
0.000 |
| 63 |
110 |
|
[TB]F:201 |
1 |
1 |
216 |
f |
[7MT]E:203 |
x,y,z |
1_555 |
2 |
1 |
540 |
11.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.026 |
| 64 |
111 |
|
[TB]E:201 |
1 |
1 |
216 |
◊ |
I |
x,y,z-1 |
1_554 |
2 |
2 |
7424 |
5.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 65 |
112 |
|
G |
3 |
2 |
7332 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
2 |
2 |
7323 |
4.3 |
0.1 |
0.665 |
0 |
0 |
0 |
0.000 |
| 66 |
113 |
|
C |
1 |
1 |
7473 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
7323 |
4.1 |
0.1 |
0.778 |
0 |
0 |
0 |
0.000 |
| 67 |
114 |
|
G |
1 |
1 |
7332 |
◊ |
I |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
7424 |
0.7 |
0.0 |
0.634 |
0 |
0 |
0 |
0.000 |
|