| ## |
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 |
|
C |
313 |
74 |
12869 |
◊ |
B |
x,y,z |
1_555 |
324 |
71 |
12907 |
3147.3 |
-40.9 |
0.184 |
45 |
21 |
0 |
0.906 |
2 |
|
I |
315 |
74 |
12831 |
◊ |
H |
x,y,z |
1_555 |
322 |
71 |
13304 |
3116.9 |
-39.9 |
0.212 |
45 |
22 |
0 |
0.906 |
3 |
|
L |
313 |
72 |
12756 |
◊ |
K |
x,y,z |
1_555 |
322 |
71 |
12790 |
3096.3 |
-40.7 |
0.173 |
44 |
24 |
0 |
0.906 |
4 |
|
F |
311 |
73 |
12753 |
◊ |
E |
x,y,z |
1_555 |
322 |
70 |
12711 |
3038.8 |
-37.7 |
0.243 |
43 |
21 |
0 |
0.906 |
| Average: |
3099.8 |
-39.8 |
0.203 |
44 |
22 |
0 |
0.906 |
| 2 |
5 |
|
L |
163 |
43 |
12756 |
◊ |
J |
x,y,z |
1_555 |
165 |
43 |
8122 |
1507.2 |
-1.2 |
0.820 |
43 |
19 |
0 |
0.938 |
6 |
|
I |
166 |
44 |
12831 |
◊ |
G |
x,y,z |
1_555 |
162 |
43 |
8017 |
1493.3 |
-1.7 |
0.823 |
42 |
18 |
0 |
0.938 |
7 |
|
F |
165 |
41 |
12753 |
◊ |
D |
x,y,z |
1_555 |
162 |
43 |
7856 |
1491.3 |
-2.6 |
0.802 |
44 |
18 |
0 |
0.938 |
8 |
|
C |
161 |
44 |
12869 |
◊ |
A |
x,y,z |
1_555 |
163 |
43 |
7747 |
1475.0 |
-1.7 |
0.837 |
41 |
19 |
0 |
0.938 |
| Average: |
1491.7 |
-1.8 |
0.821 |
43 |
19 |
0 |
0.938 |
| 3 |
9 |
|
H |
147 |
45 |
13304 |
◊ |
E |
x,y,z |
1_555 |
145 |
45 |
12711 |
1431.7 |
-18.7 |
0.473 |
11 |
8 |
0 |
1.000 |
10 |
|
K |
149 |
46 |
12790 |
◊ |
B |
x,y,z |
1_555 |
149 |
46 |
12907 |
1428.4 |
-19.1 |
0.477 |
11 |
10 |
0 |
1.000 |
| Average: |
1430.1 |
-18.9 |
0.475 |
11 |
9 |
0 |
1.000 |
| 4 |
11 |
|
E |
130 |
34 |
12711 |
◊ |
B |
x,y,z |
1_555 |
128 |
34 |
12907 |
1268.6 |
-20.7 |
0.251 |
3 |
6 |
0 |
1.000 |
12 |
|
K |
131 |
33 |
12790 |
◊ |
H |
x,y,z |
1_555 |
127 |
34 |
13304 |
1244.0 |
-21.1 |
0.243 |
5 |
6 |
0 |
1.000 |
| Average: |
1256.3 |
-20.9 |
0.247 |
4 |
6 |
0 |
1.000 |
| 5 |
13 |
|
K |
99 |
27 |
12790 |
◊ |
J |
x,y,z |
1_555 |
114 |
26 |
8122 |
941.4 |
-6.4 |
0.569 |
10 |
6 |
0 |
0.405 |
14 |
|
E |
96 |
26 |
12711 |
◊ |
D |
x,y,z |
1_555 |
110 |
25 |
7856 |
897.9 |
-6.4 |
0.581 |
9 |
6 |
0 |
0.405 |
15 |
|
H |
96 |
26 |
13304 |
◊ |
G |
x,y,z |
1_555 |
112 |
26 |
8017 |
897.5 |
-6.6 |
0.536 |
9 |
6 |
0 |
0.405 |
16 |
|
B |
94 |
26 |
12907 |
◊ |
A |
x,y,z |
1_555 |
104 |
24 |
7747 |
861.6 |
-6.7 |
0.556 |
9 |
5 |
0 |
0.405 |
| Average: |
899.6 |
-6.5 |
0.561 |
9 |
6 |
0 |
0.405 |
| 6 |
17 |
|
H |
58 |
16 |
13304 |
◊ |
D |
x,y,z |
1_555 |
61 |
18 |
7856 |
621.3 |
-6.2 |
0.365 |
6 |
0 |
0 |
0.443 |
18 |
|
B |
59 |
16 |
12907 |
◊ |
J |
x,y,z |
1_555 |
62 |
17 |
8122 |
619.7 |
-5.8 |
0.388 |
6 |
0 |
0 |
0.443 |
19 |
|
K |
59 |
16 |
12790 |
◊ |
A |
x,y,z |
1_555 |
62 |
18 |
7747 |
615.9 |
-6.2 |
0.382 |
6 |
0 |
0 |
0.443 |
20 |
|
E |
56 |
15 |
12711 |
◊ |
G |
x,y,z |
1_555 |
60 |
17 |
8017 |
615.6 |
-6.2 |
0.358 |
6 |
0 |
0 |
0.443 |
| Average: |
618.1 |
-6.1 |
0.373 |
6 |
0 |
0 |
0.443 |
| 7 |
21 |
|
K |
55 |
13 |
12790 |
◊ |
E |
x,y,z |
1_555 |
56 |
14 |
12711 |
573.7 |
-5.7 |
0.617 |
10 |
0 |
0 |
0.253 |
22 |
|
H |
58 |
13 |
13304 |
◊ |
B |
x,y,z |
1_555 |
56 |
13 |
12907 |
570.2 |
-4.9 |
0.677 |
9 |
0 |
0 |
0.253 |
| Average: |
572.0 |
-5.3 |
0.647 |
10 |
0 |
0 |
0.253 |
| 8 |
23 |
|
L |
43 |
15 |
12756 |
◊ |
H |
x-1/2,-y+3/2,-z |
4_465 |
46 |
12 |
13304 |
381.2 |
-1.5 |
0.753 |
2 |
2 |
0 |
0.000 |
| 9 |
24 |
|
H |
41 |
10 |
13304 |
◊ |
J |
x,y,z |
1_555 |
41 |
13 |
8122 |
380.1 |
-5.4 |
0.326 |
5 |
0 |
0 |
0.371 |
25 |
|
B |
40 |
10 |
12907 |
◊ |
D |
x,y,z |
1_555 |
45 |
15 |
7856 |
373.3 |
-5.9 |
0.296 |
4 |
0 |
0 |
0.371 |
26 |
|
E |
37 |
9 |
12711 |
◊ |
A |
x,y,z |
1_555 |
43 |
14 |
7747 |
363.1 |
-6.3 |
0.243 |
4 |
0 |
0 |
0.371 |
27 |
|
K |
38 |
10 |
12790 |
◊ |
G |
x,y,z |
1_555 |
39 |
11 |
8017 |
359.2 |
-5.1 |
0.320 |
4 |
0 |
0 |
0.371 |
| Average: |
368.9 |
-5.7 |
0.296 |
4 |
0 |
0 |
0.371 |
| 10 |
28 |
|
F |
36 |
13 |
12753 |
◊ |
H |
x,y,z |
1_555 |
35 |
8 |
13304 |
329.7 |
-4.6 |
0.374 |
1 |
2 |
0 |
0.101 |
29 |
|
C |
33 |
12 |
12869 |
◊ |
K |
x,y,z |
1_555 |
35 |
9 |
12790 |
328.8 |
-4.5 |
0.385 |
1 |
2 |
0 |
0.101 |
30 |
|
I |
34 |
12 |
12831 |
◊ |
E |
x,y,z |
1_555 |
35 |
9 |
12711 |
328.7 |
-4.5 |
0.388 |
1 |
2 |
0 |
0.101 |
31 |
|
L |
35 |
12 |
12756 |
◊ |
B |
x,y,z |
1_555 |
35 |
9 |
12907 |
328.6 |
-4.7 |
0.359 |
0 |
2 |
0 |
0.101 |
| Average: |
328.9 |
-4.6 |
0.376 |
1 |
2 |
0 |
0.101 |
| 11 |
32 |
|
F |
39 |
12 |
12753 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
42 |
9 |
12907 |
326.3 |
0.2 |
0.831 |
4 |
3 |
0 |
0.000 |
| 12 |
33 |
|
L |
34 |
9 |
12756 |
◊ |
I |
x,y,z |
1_555 |
31 |
9 |
12831 |
306.0 |
-1.8 |
0.588 |
2 |
0 |
0 |
0.029 |
34 |
|
F |
33 |
9 |
12753 |
◊ |
C |
x,y,z |
1_555 |
30 |
9 |
12869 |
303.7 |
-1.5 |
0.604 |
4 |
0 |
0 |
0.029 |
| Average: |
304.9 |
-1.7 |
0.596 |
3 |
0 |
0 |
0.029 |
| 13 |
35 |
|
L |
28 |
11 |
12756 |
◊ |
I |
x-1/2,-y+3/2,-z |
4_465 |
28 |
10 |
12831 |
247.7 |
-0.8 |
0.661 |
3 |
0 |
0 |
0.000 |
| 14 |
36 |
|
F |
25 |
8 |
12753 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
25 |
9 |
12869 |
192.7 |
-0.8 |
0.621 |
2 |
0 |
0 |
0.000 |
| 15 |
37 |
|
I |
17 |
5 |
12831 |
◊ |
C |
x,y,z-1 |
1_554 |
22 |
7 |
12869 |
185.1 |
-1.7 |
0.488 |
2 |
3 |
0 |
0.000 |
| 16 |
38 |
|
G |
22 |
5 |
8017 |
◊ |
D |
x,y,z |
1_555 |
22 |
5 |
7856 |
172.2 |
-3.3 |
0.257 |
0 |
0 |
0 |
0.024 |
39 |
|
J |
17 |
4 |
8122 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
7747 |
168.6 |
-1.7 |
0.427 |
0 |
2 |
0 |
0.024 |
| Average: |
170.4 |
-2.5 |
0.342 |
0 |
1 |
0 |
0.024 |
| 17 |
40 |
|
I |
17 |
7 |
12831 |
◊ |
J |
x,y,z |
1_555 |
9 |
4 |
8122 |
131.2 |
-1.1 |
0.305 |
1 |
0 |
0 |
0.030 |
41 |
|
C |
16 |
6 |
12869 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
7856 |
130.0 |
-1.0 |
0.316 |
1 |
0 |
0 |
0.030 |
42 |
|
L |
17 |
7 |
12756 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
8017 |
128.5 |
-1.3 |
0.285 |
1 |
0 |
0 |
0.030 |
43 |
|
F |
17 |
7 |
12753 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
7747 |
125.9 |
-1.3 |
0.283 |
1 |
0 |
0 |
0.030 |
| Average: |
128.9 |
-1.2 |
0.297 |
1 |
0 |
0 |
0.030 |
| 18 |
44 |
|
C |
21 |
5 |
12869 |
◊ |
E |
x,y,z |
1_555 |
12 |
4 |
12711 |
127.0 |
0.3 |
0.680 |
1 |
0 |
0 |
0.003 |
45 |
|
F |
20 |
5 |
12753 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
12907 |
124.4 |
0.3 |
0.655 |
1 |
0 |
0 |
0.003 |
46 |
|
I |
20 |
5 |
12831 |
◊ |
K |
x,y,z |
1_555 |
12 |
4 |
12790 |
124.2 |
0.3 |
0.686 |
1 |
0 |
0 |
0.003 |
47 |
|
L |
19 |
4 |
12756 |
◊ |
H |
x,y,z |
1_555 |
12 |
4 |
13304 |
123.0 |
0.3 |
0.668 |
1 |
0 |
0 |
0.003 |
| Average: |
124.7 |
0.3 |
0.672 |
1 |
0 |
0 |
0.003 |
| 19 |
48 |
|
[FRU]H:3007 |
11 |
1 |
307 |
◊ |
H |
x,y,z |
1_555 |
22 |
9 |
13304 |
124.1 |
2.7 |
0.554 |
1 |
0 |
0 |
0.000 |
| 20 |
49 |
|
[FRU]H:3004 |
9 |
1 |
310 |
◊ |
H |
x,y,z |
1_555 |
16 |
5 |
13304 |
119.5 |
1.4 |
0.438 |
2 |
0 |
0 |
0.000 |
| 21 |
50 |
|
[FRU]K:3005 |
10 |
1 |
310 |
◊ |
K |
x,y,z |
1_555 |
17 |
5 |
12790 |
119.3 |
2.5 |
0.551 |
1 |
0 |
0 |
0.000 |
| 22 |
51 |
|
[FRU]K:3003 |
11 |
1 |
310 |
◊ |
K |
x,y,z |
1_555 |
18 |
6 |
12790 |
119.0 |
0.9 |
0.328 |
0 |
0 |
0 |
0.000 |
| 23 |
52 |
|
[FRU]B:3008 |
9 |
1 |
295 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
12907 |
114.6 |
1.2 |
0.334 |
2 |
0 |
0 |
0.000 |
| 24 |
53 |
|
[FRU]C:3001 |
10 |
1 |
307 |
◊ |
E |
x,y,z |
1_555 |
16 |
6 |
12711 |
112.5 |
0.7 |
0.298 |
1 |
0 |
0 |
0.000 |
| 25 |
54 |
|
[FRU]H:3006 |
9 |
1 |
308 |
◊ |
H |
x,y,z |
1_555 |
14 |
5 |
13304 |
111.5 |
2.5 |
0.582 |
0 |
0 |
0 |
0.000 |
| 26 |
55 |
|
[FRU]H:3006 |
8 |
1 |
308 |
◊ |
E |
x,y,z |
1_555 |
20 |
9 |
12711 |
109.4 |
1.1 |
0.410 |
0 |
0 |
0 |
0.000 |
| 27 |
56 |
|
[TAR]F:4401 |
10 |
1 |
269 |
◊ |
E |
x,y,z |
1_555 |
18 |
9 |
12711 |
109.3 |
0.6 |
0.590 |
6 |
0 |
0 |
0.042 |
57 |
|
[TAR]C:3401 |
10 |
1 |
267 |
◊ |
B |
x,y,z |
1_555 |
18 |
9 |
12907 |
107.8 |
1.0 |
0.588 |
7 |
0 |
0 |
0.042 |
58 |
|
[TAR]I:5401 |
10 |
1 |
267 |
◊ |
H |
x,y,z |
1_555 |
18 |
9 |
13304 |
107.3 |
-0.2 |
0.539 |
6 |
0 |
0 |
0.042 |
| Average: |
108.1 |
0.5 |
0.572 |
6 |
0 |
0 |
0.042 |
| 28 |
59 |
|
[TAR]L:6401 |
10 |
1 |
267 |
◊ |
K |
x,y,z |
1_555 |
17 |
9 |
12790 |
107.0 |
1.9 |
0.715 |
8 |
0 |
0 |
0.023 |
| 29 |
60 |
|
[FRU]H:3007 |
10 |
1 |
307 |
◊ |
E |
x,y,z |
1_555 |
14 |
4 |
12711 |
106.8 |
0.7 |
0.289 |
1 |
0 |
0 |
0.000 |
| 30 |
61 |
|
[FRU]B:3002 |
9 |
1 |
306 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
12907 |
106.4 |
1.3 |
0.363 |
1 |
0 |
0 |
0.000 |
| 31 |
62 |
|
[TAR]C:3401 |
10 |
1 |
267 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
12869 |
105.2 |
0.2 |
0.586 |
11 |
0 |
0 |
0.160 |
63 |
|
[TAR]F:4401 |
10 |
1 |
269 |
f |
F |
x,y,z |
1_555 |
18 |
7 |
12753 |
105.0 |
0.9 |
0.585 |
12 |
0 |
0 |
0.160 |
64 |
|
[TAR]I:5401 |
10 |
1 |
267 |
f |
I |
x,y,z |
1_555 |
20 |
8 |
12831 |
103.7 |
0.8 |
0.583 |
10 |
0 |
0 |
0.160 |
| Average: |
104.6 |
0.6 |
0.585 |
11 |
0 |
0 |
0.160 |
| 32 |
65 |
|
[TAR]L:6401 |
10 |
1 |
267 |
f |
L |
x,y,z |
1_555 |
17 |
7 |
12756 |
104.0 |
-1.2 |
0.357 |
11 |
0 |
0 |
0.210 |
| 33 |
66 |
|
[FRU]K:3005 |
9 |
1 |
310 |
◊ |
B |
x,y,z |
1_555 |
20 |
9 |
12907 |
100.2 |
0.8 |
0.328 |
1 |
0 |
0 |
0.000 |
| 34 |
67 |
|
[FRU]B:3008 |
10 |
1 |
295 |
◊ |
K |
x,y,z |
1_555 |
18 |
9 |
12790 |
96.1 |
2.3 |
0.521 |
1 |
0 |
0 |
0.000 |
| 35 |
68 |
|
K |
5 |
2 |
12790 |
◊ |
I |
x-1/2,-y+3/2,-z |
4_465 |
8 |
2 |
12831 |
68.4 |
0.7 |
0.809 |
2 |
4 |
0 |
0.000 |
| 36 |
69 |
|
[TAR]I:5501 |
5 |
1 |
272 |
f |
G |
x,y,z |
1_555 |
9 |
3 |
8017 |
57.4 |
0.5 |
0.492 |
0 |
0 |
0 |
0.000 |
70 |
|
[TAR]L:6501 |
5 |
1 |
268 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
8122 |
56.9 |
0.5 |
0.486 |
0 |
0 |
0 |
0.000 |
| Average: |
57.1 |
0.5 |
0.489 |
0 |
0 |
0 |
0.000 |
| 37 |
71 |
|
[TAR]C:3501 |
5 |
1 |
269 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
7747 |
56.7 |
-0.9 |
0.413 |
0 |
0 |
0 |
0.032 |
| 38 |
72 |
|
[TAR]F:4501 |
5 |
1 |
269 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
7856 |
56.7 |
-1.2 |
0.402 |
0 |
0 |
0 |
0.036 |
| 39 |
73 |
|
[FRU]H:3004 |
7 |
1 |
310 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
12756 |
53.2 |
1.4 |
0.353 |
2 |
0 |
0 |
0.000 |
| 40 |
74 |
|
[FRU]B:3002 |
6 |
1 |
306 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
12753 |
52.4 |
1.3 |
0.348 |
3 |
0 |
0 |
0.000 |
| 41 |
75 |
|
[FRU]H:3006 |
6 |
1 |
308 |
f |
D |
x,y,z |
1_555 |
8 |
1 |
7856 |
46.9 |
0.0 |
0.253 |
0 |
0 |
0 |
0.000 |
| 42 |
76 |
|
[FRU]C:3001 |
5 |
1 |
307 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12869 |
43.4 |
1.9 |
0.521 |
1 |
0 |
0 |
0.000 |
| 43 |
77 |
|
[FRU]K:3003 |
5 |
1 |
310 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
12831 |
43.0 |
1.7 |
0.512 |
1 |
0 |
0 |
0.000 |
| 44 |
78 |
|
[TAR]I:5501 |
3 |
1 |
272 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
12831 |
42.1 |
1.6 |
0.685 |
2 |
0 |
0 |
0.000 |
79 |
|
[TAR]L:6501 |
3 |
1 |
268 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
12756 |
41.8 |
1.6 |
0.684 |
2 |
0 |
0 |
0.000 |
| Average: |
41.9 |
1.6 |
0.685 |
2 |
0 |
0 |
0.000 |
| 45 |
80 |
|
[FRU]H:3007 |
4 |
1 |
307 |
f |
G |
x,y,z |
1_555 |
7 |
1 |
8017 |
41.9 |
-0.6 |
0.208 |
0 |
0 |
0 |
0.023 |
| 46 |
81 |
|
[TAR]C:3501 |
3 |
1 |
269 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
12869 |
41.8 |
-0.4 |
0.533 |
2 |
0 |
0 |
0.044 |
| 47 |
82 |
|
[TAR]F:4501 |
3 |
1 |
269 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
12753 |
41.6 |
-0.5 |
0.277 |
2 |
0 |
0 |
0.042 |
| 48 |
83 |
|
[FRU]K:3005 |
4 |
1 |
310 |
f |
A |
x,y,z |
1_555 |
7 |
1 |
7747 |
41.1 |
-0.5 |
0.211 |
0 |
0 |
0 |
0.058 |
| 49 |
84 |
|
[FRU]B:3002 |
5 |
1 |
306 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
12711 |
39.0 |
0.7 |
0.414 |
2 |
0 |
0 |
0.003 |
| 50 |
85 |
|
[FRU]H:3004 |
4 |
1 |
310 |
◊ |
K |
x,y,z |
1_555 |
5 |
3 |
12790 |
38.8 |
0.6 |
0.481 |
2 |
0 |
0 |
0.004 |
| 51 |
86 |
|
[FRU]B:3008 |
5 |
1 |
295 |
f |
J |
x,y,z |
1_555 |
6 |
1 |
8122 |
37.1 |
-0.8 |
0.160 |
0 |
0 |
0 |
0.075 |
| 52 |
87 |
|
[FRU]C:3001 |
3 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
7747 |
31.6 |
-0.4 |
0.262 |
0 |
0 |
0 |
0.042 |
| 53 |
88 |
|
F |
2 |
1 |
12753 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
8017 |
28.6 |
-0.9 |
0.153 |
0 |
0 |
0 |
0.007 |
89 |
|
C |
2 |
1 |
12869 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
8122 |
27.9 |
-0.9 |
0.137 |
0 |
0 |
0 |
0.007 |
90 |
|
L |
2 |
1 |
12756 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
7747 |
27.7 |
-0.9 |
0.130 |
0 |
0 |
0 |
0.007 |
91 |
|
I |
2 |
1 |
12831 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
7856 |
26.4 |
-0.8 |
0.144 |
0 |
0 |
0 |
0.007 |
| Average: |
27.6 |
-0.9 |
0.141 |
0 |
0 |
0 |
0.007 |
| 54 |
92 |
|
[FRU]B:3002 |
2 |
1 |
306 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
7856 |
27.5 |
-0.6 |
0.277 |
0 |
0 |
0 |
0.107 |
| 55 |
93 |
|
[FRU]K:3003 |
4 |
1 |
310 |
f |
G |
x,y,z |
1_555 |
6 |
3 |
8017 |
27.1 |
0.2 |
0.356 |
0 |
0 |
0 |
0.000 |
| 56 |
94 |
|
E |
4 |
2 |
12711 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
12869 |
25.5 |
0.3 |
0.727 |
0 |
0 |
0 |
0.000 |
| 57 |
95 |
|
[FRU]H:3004 |
2 |
1 |
310 |
f |
J |
x,y,z |
1_555 |
6 |
3 |
8122 |
25.3 |
-0.8 |
0.231 |
0 |
0 |
0 |
0.074 |
| 58 |
96 |
|
[FRU]C:3001 |
3 |
1 |
307 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
12907 |
24.5 |
0.5 |
0.462 |
0 |
0 |
0 |
0.000 |
| 59 |
97 |
|
[FRU]K:3005 |
3 |
1 |
310 |
◊ |
[FRU]B:3008 |
x,y,z |
1_555 |
2 |
1 |
295 |
18.3 |
0.7 |
0.291 |
0 |
0 |
0 |
0.000 |
| 60 |
98 |
|
D |
3 |
2 |
7856 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
4 |
12869 |
15.7 |
-0.5 |
0.428 |
0 |
0 |
0 |
0.000 |
| 61 |
99 |
|
J |
2 |
2 |
8122 |
◊ |
I |
x-1/2,-y+3/2,-z |
4_465 |
2 |
2 |
12831 |
14.9 |
-0.5 |
0.322 |
0 |
0 |
0 |
0.000 |
| 62 |
100 |
|
F |
4 |
3 |
12753 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
8122 |
14.4 |
0.2 |
0.708 |
0 |
0 |
0 |
0.000 |
| 63 |
101 |
|
[FRU]K:3003 |
2 |
1 |
310 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
13304 |
10.9 |
0.2 |
0.448 |
0 |
0 |
0 |
0.000 |
| 64 |
102 |
|
[FRU]H:3007 |
1 |
1 |
307 |
◊ |
[FRU]H:3006 |
x,y,z |
1_555 |
1 |
1 |
308 |
5.5 |
0.2 |
0.289 |
0 |
0 |
0 |
0.000 |
| 65 |
103 |
|
[TAR]L:6401 |
1 |
1 |
267 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
8122 |
2.9 |
0.1 |
0.404 |
0 |
0 |
0 |
0.000 |
| 66 |
104 |
|
[TAR]I:5401 |
1 |
1 |
267 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
8017 |
2.5 |
0.1 |
0.403 |
0 |
0 |
0 |
0.000 |
105 |
|
[TAR]C:3401 |
1 |
1 |
267 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7747 |
2.2 |
0.1 |
0.397 |
0 |
0 |
0 |
0.000 |
106 |
|
[TAR]F:4401 |
1 |
1 |
269 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7856 |
1.8 |
0.1 |
0.394 |
0 |
0 |
0 |
0.000 |
| Average: |
2.2 |
0.1 |
0.398 |
0 |
0 |
0 |
0.000 |
|