| ## |
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 |
|
F |
487 |
131 |
19467 |
◊ |
E |
x,y,z |
1_555 |
486 |
130 |
19302 |
4600.4 |
-49.0 |
0.010 |
85 |
24 |
1 |
0.782 |
2 |
|
B |
490 |
131 |
19433 |
◊ |
A |
x,y,z |
1_555 |
491 |
131 |
19404 |
4591.3 |
-48.8 |
0.013 |
85 |
24 |
1 |
0.782 |
3 |
|
H |
491 |
131 |
19368 |
◊ |
G |
x,y,z |
1_555 |
491 |
132 |
19443 |
4579.4 |
-48.5 |
0.013 |
86 |
24 |
1 |
0.782 |
4 |
|
D |
485 |
130 |
19271 |
◊ |
C |
x,y,z |
1_555 |
486 |
131 |
19422 |
4576.9 |
-48.3 |
0.011 |
86 |
24 |
1 |
0.782 |
| Average: |
4587.0 |
-48.6 |
0.012 |
86 |
24 |
1 |
0.782 |
| 2 |
5 |
|
J |
198 |
42 |
9936 |
◊ |
B |
x,y,z |
1_555 |
214 |
53 |
19433 |
1880.6 |
-16.7 |
0.370 |
18 |
4 |
0 |
0.691 |
6 |
|
I |
203 |
45 |
9995 |
◊ |
A |
x,y,z |
1_555 |
214 |
53 |
19404 |
1879.6 |
-17.1 |
0.366 |
20 |
5 |
0 |
0.691 |
7 |
|
K |
203 |
43 |
9947 |
◊ |
C |
x,y,z |
1_555 |
213 |
53 |
19422 |
1874.0 |
-16.8 |
0.362 |
20 |
5 |
0 |
0.691 |
8 |
|
O |
204 |
44 |
9901 |
◊ |
G |
x,y,z |
1_555 |
211 |
52 |
19443 |
1872.2 |
-17.0 |
0.377 |
20 |
5 |
0 |
0.691 |
9 |
|
P |
197 |
43 |
9999 |
◊ |
H |
x,y,z |
1_555 |
213 |
52 |
19368 |
1871.5 |
-17.1 |
0.349 |
18 |
4 |
0 |
0.691 |
10 |
|
N |
203 |
44 |
9955 |
◊ |
F |
x,y,z |
1_555 |
212 |
52 |
19467 |
1870.7 |
-16.4 |
0.385 |
20 |
4 |
0 |
0.691 |
11 |
|
M |
197 |
44 |
9948 |
◊ |
E |
x,y,z |
1_555 |
213 |
53 |
19302 |
1869.4 |
-16.7 |
0.343 |
20 |
4 |
0 |
0.691 |
12 |
|
L |
198 |
43 |
9943 |
◊ |
D |
x,y,z |
1_555 |
213 |
51 |
19271 |
1868.5 |
-16.5 |
0.350 |
17 |
4 |
0 |
0.691 |
| Average: |
1873.3 |
-16.8 |
0.363 |
19 |
4 |
0 |
0.691 |
| 3 |
13 |
|
P |
103 |
28 |
9999 |
◊ |
F |
x,y,z |
1_555 |
116 |
32 |
19467 |
980.7 |
-4.2 |
0.693 |
12 |
4 |
0 |
0.170 |
14 |
|
O |
104 |
28 |
9901 |
◊ |
A |
x,y,z |
1_555 |
112 |
32 |
19404 |
971.8 |
-4.1 |
0.706 |
12 |
4 |
0 |
0.170 |
15 |
|
N |
105 |
28 |
9955 |
◊ |
D |
x,y,z |
1_555 |
116 |
32 |
19271 |
971.6 |
-4.2 |
0.696 |
12 |
4 |
0 |
0.170 |
16 |
|
M |
103 |
28 |
9948 |
◊ |
G |
x,y,z |
1_555 |
109 |
32 |
19443 |
971.4 |
-4.1 |
0.698 |
12 |
4 |
0 |
0.170 |
17 |
|
K |
103 |
28 |
9947 |
◊ |
E |
x,y,z |
1_555 |
111 |
32 |
19302 |
970.8 |
-3.9 |
0.700 |
12 |
4 |
0 |
0.170 |
18 |
|
I |
104 |
28 |
9995 |
◊ |
C |
x,y,z |
1_555 |
114 |
32 |
19422 |
969.8 |
-3.9 |
0.712 |
12 |
4 |
0 |
0.170 |
19 |
|
J |
103 |
28 |
9936 |
◊ |
H |
x,y,z |
1_555 |
111 |
32 |
19368 |
967.9 |
-4.1 |
0.704 |
12 |
4 |
0 |
0.170 |
20 |
|
L |
103 |
28 |
9943 |
◊ |
B |
x,y,z |
1_555 |
114 |
32 |
19433 |
967.1 |
-4.2 |
0.694 |
12 |
4 |
0 |
0.170 |
| Average: |
971.4 |
-4.1 |
0.700 |
12 |
4 |
0 |
0.170 |
| 4 |
21 |
|
N |
63 |
17 |
9955 |
◊ |
L |
x,y,z |
1_555 |
63 |
20 |
9943 |
590.8 |
-10.1 |
0.259 |
4 |
0 |
0 |
1.000 |
22 |
|
M |
66 |
20 |
9948 |
◊ |
K |
x,y,z |
1_555 |
63 |
17 |
9947 |
589.3 |
-10.2 |
0.268 |
4 |
0 |
0 |
1.000 |
23 |
|
P |
62 |
20 |
9999 |
◊ |
J |
x,y,z |
1_555 |
60 |
17 |
9936 |
585.2 |
-10.1 |
0.252 |
4 |
0 |
0 |
1.000 |
24 |
|
O |
60 |
17 |
9901 |
◊ |
I |
x,y,z |
1_555 |
64 |
20 |
9995 |
582.6 |
-10.2 |
0.258 |
4 |
0 |
0 |
1.000 |
25 |
|
K |
63 |
20 |
9947 |
◊ |
I |
x,y,z |
1_555 |
61 |
17 |
9995 |
580.4 |
-10.1 |
0.257 |
4 |
0 |
0 |
1.000 |
26 |
|
O |
64 |
20 |
9901 |
◊ |
M |
x,y,z |
1_555 |
60 |
17 |
9948 |
579.5 |
-10.2 |
0.257 |
4 |
0 |
0 |
1.000 |
27 |
|
L |
60 |
17 |
9943 |
◊ |
J |
x,y,z |
1_555 |
65 |
20 |
9936 |
576.7 |
-10.1 |
0.264 |
4 |
0 |
0 |
1.000 |
28 |
|
P |
60 |
17 |
9999 |
◊ |
N |
x,y,z |
1_555 |
64 |
20 |
9955 |
576.4 |
-9.9 |
0.273 |
4 |
0 |
0 |
1.000 |
| Average: |
582.6 |
-10.1 |
0.261 |
4 |
0 |
0 |
1.000 |
| 5 |
29 |
|
F |
50 |
15 |
19467 |
◊ |
C |
x,y,z |
1_555 |
48 |
15 |
19422 |
502.5 |
-3.9 |
0.346 |
6 |
2 |
0 |
0.076 |
30 |
|
G |
49 |
15 |
19443 |
◊ |
B |
x,y,z |
1_555 |
48 |
15 |
19433 |
498.8 |
-4.0 |
0.339 |
7 |
2 |
0 |
0.076 |
31 |
|
H |
50 |
15 |
19368 |
◊ |
E |
x,y,z |
1_555 |
48 |
15 |
19302 |
498.7 |
-4.0 |
0.336 |
6 |
2 |
0 |
0.076 |
32 |
|
D |
48 |
15 |
19271 |
◊ |
A |
x,y,z |
1_555 |
49 |
15 |
19404 |
496.8 |
-4.0 |
0.335 |
6 |
2 |
0 |
0.076 |
| Average: |
499.2 |
-4.0 |
0.339 |
6 |
2 |
0 |
0.076 |
| 6 |
33 |
|
H |
47 |
13 |
19368 |
◊ |
B |
x,y,z |
1_555 |
53 |
18 |
19433 |
490.9 |
1.7 |
0.788 |
3 |
4 |
0 |
0.001 |
34 |
|
E |
48 |
13 |
19302 |
◊ |
C |
x,y,z |
1_555 |
54 |
18 |
19422 |
488.6 |
1.9 |
0.785 |
3 |
4 |
0 |
0.001 |
35 |
|
G |
56 |
18 |
19443 |
◊ |
A |
x,y,z |
1_555 |
48 |
14 |
19404 |
488.4 |
1.7 |
0.787 |
3 |
4 |
0 |
0.001 |
36 |
|
F |
53 |
18 |
19467 |
◊ |
D |
x,y,z |
1_555 |
47 |
13 |
19271 |
486.0 |
1.7 |
0.778 |
3 |
4 |
0 |
0.001 |
37 |
|
C |
47 |
13 |
19422 |
◊ |
A |
x,y,z |
1_555 |
53 |
18 |
19404 |
482.3 |
2.0 |
0.799 |
3 |
4 |
0 |
0.001 |
38 |
|
D |
51 |
18 |
19271 |
◊ |
B |
x,y,z |
1_555 |
47 |
13 |
19433 |
479.5 |
2.1 |
0.803 |
3 |
4 |
0 |
0.001 |
39 |
|
G |
48 |
13 |
19443 |
◊ |
E |
x,y,z |
1_555 |
51 |
18 |
19302 |
478.4 |
1.9 |
0.800 |
3 |
4 |
0 |
0.001 |
40 |
|
H |
50 |
18 |
19368 |
◊ |
F |
x,y,z |
1_555 |
47 |
12 |
19467 |
454.1 |
1.9 |
0.817 |
3 |
4 |
0 |
0.001 |
| Average: |
481.0 |
1.9 |
0.795 |
3 |
4 |
0 |
0.001 |
| 7 |
41 |
|
O |
51 |
13 |
9901 |
◊ |
B |
x,y,z |
1_555 |
50 |
12 |
19433 |
477.7 |
-5.7 |
0.260 |
5 |
0 |
0 |
0.164 |
42 |
|
N |
54 |
14 |
9955 |
◊ |
C |
x,y,z |
1_555 |
52 |
12 |
19422 |
476.2 |
-5.8 |
0.285 |
4 |
0 |
0 |
0.164 |
43 |
|
J |
55 |
14 |
9936 |
◊ |
G |
x,y,z |
1_555 |
52 |
12 |
19443 |
475.1 |
-6.3 |
0.237 |
4 |
0 |
0 |
0.164 |
44 |
|
K |
54 |
14 |
9947 |
◊ |
F |
x,y,z |
1_555 |
52 |
12 |
19467 |
473.4 |
-5.7 |
0.293 |
4 |
0 |
0 |
0.164 |
45 |
|
M |
43 |
11 |
9948 |
◊ |
H |
x,y,z |
1_555 |
51 |
12 |
19368 |
444.9 |
-4.3 |
0.336 |
4 |
0 |
0 |
0.164 |
46 |
|
L |
46 |
12 |
9943 |
◊ |
A |
x,y,z |
1_555 |
52 |
12 |
19404 |
443.0 |
-4.2 |
0.356 |
5 |
0 |
0 |
0.164 |
47 |
|
I |
46 |
12 |
9995 |
◊ |
D |
x,y,z |
1_555 |
46 |
10 |
19271 |
414.7 |
-5.2 |
0.309 |
4 |
0 |
0 |
0.164 |
48 |
|
P |
42 |
11 |
9999 |
◊ |
E |
x,y,z |
1_555 |
45 |
10 |
19302 |
412.3 |
-5.2 |
0.278 |
4 |
0 |
0 |
0.164 |
| Average: |
452.1 |
-5.3 |
0.294 |
4 |
0 |
0 |
0.164 |
| 8 |
49 |
|
I |
39 |
13 |
9995 |
◊ |
L |
-x+1,y-1/2,-z+2 |
2_647 |
40 |
11 |
9943 |
379.2 |
-3.0 |
0.578 |
2 |
0 |
0 |
0.000 |
50 |
|
M |
42 |
11 |
9948 |
◊ |
P |
-x,y-1/2,-z+1 |
2_546 |
42 |
14 |
9999 |
377.4 |
-2.8 |
0.620 |
2 |
0 |
0 |
0.000 |
| Average: |
378.3 |
-2.9 |
0.599 |
2 |
0 |
0 |
0.000 |
| 9 |
51 |
|
M |
27 |
7 |
9948 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
43 |
14 |
19404 |
344.7 |
1.0 |
0.776 |
3 |
5 |
0 |
0.006 |
52 |
|
H |
46 |
15 |
19368 |
◊ |
L |
-x,y-1/2,-z+1 |
2_546 |
27 |
7 |
9943 |
343.6 |
0.9 |
0.781 |
2 |
5 |
0 |
0.006 |
| Average: |
344.1 |
1.0 |
0.778 |
3 |
5 |
0 |
0.006 |
| 10 |
53 |
|
[CAP]F:477 |
20 |
1 |
486 |
f |
F |
x,y,z |
1_555 |
53 |
23 |
19467 |
291.5 |
-5.3 |
0.618 |
17 |
0 |
0 |
0.362 |
54 |
|
[CAP]C:477 |
20 |
1 |
481 |
f |
C |
x,y,z |
1_555 |
54 |
23 |
19422 |
288.6 |
-5.3 |
0.619 |
17 |
0 |
0 |
0.362 |
55 |
|
[CAP]B:477 |
20 |
1 |
486 |
f |
B |
x,y,z |
1_555 |
52 |
22 |
19433 |
288.5 |
-5.4 |
0.620 |
18 |
0 |
0 |
0.362 |
56 |
|
[CAP]E:477 |
20 |
1 |
484 |
f |
E |
x,y,z |
1_555 |
51 |
23 |
19302 |
288.0 |
-5.3 |
0.605 |
18 |
0 |
0 |
0.362 |
57 |
|
[CAP]G:477 |
20 |
1 |
485 |
f |
G |
x,y,z |
1_555 |
50 |
22 |
19443 |
287.3 |
-5.2 |
0.616 |
18 |
0 |
0 |
0.362 |
58 |
|
[CAP]D:477 |
20 |
1 |
486 |
f |
D |
x,y,z |
1_555 |
51 |
22 |
19271 |
285.4 |
-5.1 |
0.621 |
18 |
0 |
0 |
0.362 |
59 |
|
[CAP]H:477 |
20 |
1 |
485 |
f |
H |
x,y,z |
1_555 |
52 |
23 |
19368 |
285.4 |
-5.2 |
0.623 |
17 |
0 |
0 |
0.362 |
60 |
|
[CAP]A:476 |
20 |
1 |
482 |
f |
A |
x,y,z |
1_555 |
53 |
23 |
19404 |
283.7 |
-5.2 |
0.622 |
18 |
0 |
0 |
0.362 |
| Average: |
287.3 |
-5.2 |
0.618 |
18 |
0 |
0 |
0.362 |
| 11 |
61 |
|
H |
21 |
6 |
19368 |
◊ |
P |
-x,y-1/2,-z+1 |
2_546 |
26 |
6 |
9999 |
243.7 |
-1.4 |
0.352 |
2 |
0 |
0 |
0.017 |
62 |
|
I |
27 |
6 |
9995 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
19 |
7 |
19404 |
240.8 |
-1.8 |
0.303 |
3 |
0 |
0 |
0.017 |
| Average: |
242.3 |
-1.6 |
0.328 |
3 |
0 |
0 |
0.017 |
| 12 |
63 |
|
F |
24 |
7 |
19467 |
◊ |
D |
-x,y-1/2,-z+2 |
2_547 |
22 |
6 |
19271 |
221.1 |
1.4 |
0.724 |
1 |
0 |
0 |
0.000 |
64 |
|
E |
19 |
6 |
19302 |
◊ |
C |
-x,y-1/2,-z+2 |
2_547 |
23 |
9 |
19422 |
211.3 |
1.3 |
0.781 |
2 |
2 |
0 |
0.000 |
| Average: |
216.2 |
1.4 |
0.752 |
2 |
1 |
0 |
0.000 |
| 13 |
65 |
|
F |
26 |
9 |
19467 |
◊ |
B |
x-1,y,z |
1_455 |
25 |
10 |
19433 |
217.7 |
-1.2 |
0.498 |
0 |
3 |
0 |
0.000 |
| 14 |
66 |
|
G |
20 |
8 |
19443 |
◊ |
C |
x,y,z-1 |
1_554 |
20 |
6 |
19422 |
186.6 |
-0.6 |
0.461 |
1 |
3 |
0 |
0.000 |
| 15 |
67 |
|
[EDO]G:1478 |
4 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
22 |
14 |
19443 |
133.7 |
3.7 |
0.649 |
2 |
0 |
0 |
0.000 |
| 16 |
68 |
|
[EDO]C:1479 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
23 |
14 |
19422 |
130.9 |
3.8 |
0.663 |
2 |
0 |
0 |
0.000 |
| 17 |
69 |
|
[EDO]H:1478 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
20 |
14 |
19368 |
125.2 |
3.8 |
0.676 |
3 |
0 |
0 |
0.000 |
| 18 |
70 |
|
[EDO]A:1479 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
13 |
19404 |
125.0 |
3.8 |
0.656 |
3 |
0 |
0 |
0.000 |
| 19 |
71 |
|
P |
15 |
3 |
9999 |
◊ |
I |
x-1,y,z-1 |
1_454 |
15 |
3 |
9995 |
123.1 |
-0.2 |
0.722 |
1 |
3 |
0 |
0.000 |
| 20 |
72 |
|
[EDO]D:1478 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
20 |
13 |
19271 |
121.5 |
3.7 |
0.472 |
2 |
0 |
0 |
0.000 |
| 21 |
73 |
|
[EDO]H:1475 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
24 |
10 |
19368 |
118.8 |
3.7 |
0.650 |
3 |
0 |
0 |
0.000 |
74 |
|
[EDO]A:1477 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
19404 |
118.7 |
3.6 |
0.647 |
4 |
0 |
0 |
0.000 |
75 |
|
[EDO]C:1475 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
19422 |
117.8 |
3.7 |
0.645 |
3 |
0 |
0 |
0.000 |
76 |
|
[EDO]D:1475 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
24 |
10 |
19271 |
109.0 |
3.2 |
0.639 |
3 |
0 |
0 |
0.000 |
77 |
|
[EDO]E:1476 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
23 |
9 |
19302 |
108.3 |
3.3 |
0.646 |
3 |
0 |
0 |
0.000 |
| Average: |
114.5 |
3.5 |
0.645 |
3 |
0 |
0 |
0.000 |
| 22 |
78 |
|
H |
11 |
4 |
19368 |
◊ |
N |
-x,y-1/2,-z+1 |
2_546 |
13 |
5 |
9955 |
118.2 |
-0.1 |
0.530 |
1 |
0 |
0 |
0.004 |
79 |
|
K |
12 |
5 |
9947 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
10 |
4 |
19404 |
116.3 |
-0.2 |
0.508 |
1 |
0 |
0 |
0.004 |
| Average: |
117.3 |
-0.2 |
0.519 |
1 |
0 |
0 |
0.004 |
| 23 |
80 |
|
[EDO]F:1475 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
23 |
9 |
19467 |
118.1 |
3.7 |
0.642 |
3 |
0 |
0 |
0.000 |
81 |
|
[EDO]G:1476 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
23 |
10 |
19443 |
108.8 |
3.3 |
0.645 |
3 |
0 |
0 |
0.000 |
| Average: |
113.4 |
3.5 |
0.644 |
3 |
0 |
0 |
0.000 |
| 24 |
82 |
|
[EDO]B:1475 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
24 |
11 |
19433 |
117.0 |
3.2 |
0.462 |
3 |
0 |
0 |
0.000 |
83 |
|
[EDO]G:1475 |
4 |
1 |
183 |
f |
G |
x,y,z |
1_555 |
24 |
11 |
19443 |
117.0 |
3.2 |
0.462 |
3 |
0 |
0 |
0.000 |
84 |
|
[EDO]E:1475 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
23 |
11 |
19302 |
115.9 |
3.2 |
0.455 |
3 |
0 |
0 |
0.000 |
| Average: |
116.6 |
3.2 |
0.460 |
3 |
0 |
0 |
0.000 |
| 25 |
85 |
|
[EDO]D:1477 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
25 |
11 |
19271 |
117.0 |
3.2 |
0.457 |
3 |
0 |
0 |
0.000 |
| 26 |
86 |
|
[EDO]K:1141 |
4 |
1 |
185 |
◊ |
K |
x,y,z |
1_555 |
20 |
9 |
9947 |
112.7 |
3.4 |
0.518 |
3 |
0 |
0 |
0.000 |
| 27 |
87 |
|
[EDO]O:1142 |
4 |
1 |
184 |
◊ |
O |
x,y,z |
1_555 |
21 |
9 |
9901 |
111.4 |
3.3 |
0.528 |
3 |
0 |
0 |
0.000 |
88 |
|
[EDO]N:1142 |
4 |
1 |
184 |
◊ |
N |
x,y,z |
1_555 |
21 |
9 |
9955 |
110.6 |
3.2 |
0.525 |
3 |
0 |
0 |
0.000 |
| Average: |
111.0 |
3.3 |
0.526 |
3 |
0 |
0 |
0.000 |
| 28 |
89 |
|
[EDO]J:1142 |
4 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
19 |
9 |
9936 |
110.7 |
3.6 |
0.520 |
2 |
0 |
0 |
0.000 |
| 29 |
90 |
|
[EDO]L:1142 |
4 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
24 |
10 |
9943 |
109.2 |
3.2 |
0.529 |
0 |
0 |
0 |
0.000 |
| 30 |
91 |
|
[EDO]M:1142 |
4 |
1 |
185 |
◊ |
M |
x,y,z |
1_555 |
24 |
10 |
9948 |
108.7 |
3.3 |
0.529 |
1 |
0 |
0 |
0.000 |
| 31 |
92 |
|
[EDO]B:1476 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
19433 |
106.7 |
3.3 |
0.652 |
4 |
0 |
0 |
0.000 |
| 32 |
93 |
|
[EDO]C:1477 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
14 |
8 |
19422 |
101.1 |
2.3 |
0.310 |
0 |
0 |
0 |
0.000 |
| 33 |
94 |
|
[CAP]B:477 |
14 |
1 |
486 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
19404 |
100.9 |
-0.9 |
0.805 |
3 |
0 |
0 |
0.037 |
95 |
|
[CAP]F:477 |
14 |
1 |
486 |
◊ |
E |
x,y,z |
1_555 |
13 |
5 |
19302 |
100.1 |
-0.9 |
0.794 |
3 |
0 |
0 |
0.037 |
96 |
|
[CAP]G:477 |
14 |
1 |
485 |
◊ |
H |
x,y,z |
1_555 |
13 |
5 |
19368 |
100.1 |
-0.9 |
0.792 |
3 |
0 |
0 |
0.037 |
97 |
|
[CAP]E:477 |
14 |
1 |
484 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
19467 |
99.9 |
-0.8 |
0.795 |
3 |
0 |
0 |
0.037 |
98 |
|
[CAP]H:477 |
14 |
1 |
485 |
◊ |
G |
x,y,z |
1_555 |
13 |
5 |
19443 |
98.7 |
-0.9 |
0.800 |
3 |
0 |
0 |
0.037 |
99 |
|
[CAP]D:477 |
13 |
1 |
486 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
19422 |
98.6 |
-0.8 |
0.796 |
3 |
0 |
0 |
0.037 |
100 |
|
[CAP]A:476 |
14 |
1 |
482 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
19433 |
98.4 |
-0.9 |
0.796 |
3 |
0 |
0 |
0.037 |
101 |
|
[CAP]C:477 |
14 |
1 |
481 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
19271 |
98.2 |
-0.9 |
0.801 |
3 |
0 |
0 |
0.037 |
| Average: |
99.4 |
-0.9 |
0.797 |
3 |
0 |
0 |
0.037 |
| 34 |
102 |
|
[EDO]H:1476 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
14 |
8 |
19368 |
98.1 |
2.1 |
0.311 |
1 |
0 |
0 |
0.000 |
| 35 |
103 |
|
[EDO]A:1478 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
19404 |
97.0 |
2.1 |
0.297 |
1 |
0 |
0 |
0.000 |
| 36 |
104 |
|
[EDO]F:1476 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
14 |
8 |
19467 |
96.8 |
1.9 |
0.291 |
1 |
0 |
0 |
0.000 |
| 37 |
105 |
|
[EDO]G:1480 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
12 |
8 |
19443 |
95.1 |
2.2 |
0.315 |
1 |
0 |
0 |
0.000 |
| 38 |
106 |
|
[EDO]B:1477 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
8 |
19433 |
94.7 |
1.9 |
0.321 |
0 |
0 |
0 |
0.000 |
| 39 |
107 |
|
[EDO]B:1478 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
19433 |
87.1 |
2.1 |
0.264 |
3 |
0 |
0 |
0.000 |
108 |
|
[EDO]G:1477 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
11 |
4 |
19443 |
85.5 |
1.9 |
0.259 |
3 |
0 |
0 |
0.000 |
| Average: |
86.3 |
2.0 |
0.262 |
3 |
0 |
0 |
0.000 |
| 40 |
109 |
|
[EDO]D:1476 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
19271 |
86.3 |
2.0 |
0.261 |
3 |
0 |
0 |
0.000 |
110 |
|
[EDO]C:1478 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
19422 |
83.4 |
1.8 |
0.265 |
3 |
0 |
0 |
0.000 |
| Average: |
84.9 |
1.9 |
0.263 |
3 |
0 |
0 |
0.000 |
| 41 |
111 |
|
[EDO]H:1477 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
19368 |
84.9 |
1.9 |
0.263 |
3 |
0 |
0 |
0.000 |
| 42 |
112 |
|
[EDO]N:1141 |
4 |
1 |
185 |
◊ |
N |
x,y,z |
1_555 |
12 |
5 |
9955 |
84.9 |
3.1 |
0.330 |
2 |
0 |
0 |
0.000 |
113 |
|
[EDO]P:1141 |
4 |
1 |
185 |
◊ |
P |
x,y,z |
1_555 |
11 |
5 |
9999 |
84.9 |
3.2 |
0.331 |
2 |
0 |
0 |
0.000 |
114 |
|
[EDO]K:1142 |
4 |
1 |
185 |
◊ |
K |
x,y,z |
1_555 |
11 |
5 |
9947 |
84.6 |
3.1 |
0.332 |
2 |
0 |
0 |
0.000 |
115 |
|
[EDO]J:1141 |
4 |
1 |
183 |
◊ |
J |
x,y,z |
1_555 |
12 |
5 |
9936 |
84.6 |
3.2 |
0.331 |
2 |
0 |
0 |
0.000 |
116 |
|
[EDO]I:1141 |
4 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
11 |
5 |
9995 |
84.2 |
3.0 |
0.330 |
2 |
0 |
0 |
0.000 |
117 |
|
[EDO]O:1141 |
4 |
1 |
184 |
◊ |
O |
x,y,z |
1_555 |
11 |
5 |
9901 |
83.8 |
3.1 |
0.332 |
2 |
0 |
0 |
0.000 |
| Average: |
84.5 |
3.1 |
0.331 |
2 |
0 |
0 |
0.000 |
| 43 |
118 |
|
[EDO]A:1480 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
19404 |
83.8 |
1.8 |
0.266 |
4 |
0 |
0 |
0.000 |
| 44 |
119 |
|
[EDO]M:1141 |
4 |
1 |
185 |
◊ |
M |
x,y,z |
1_555 |
11 |
5 |
9948 |
83.2 |
2.8 |
0.330 |
2 |
0 |
0 |
0.000 |
| 45 |
120 |
|
[EDO]L:1141 |
4 |
1 |
184 |
◊ |
L |
x,y,z |
1_555 |
11 |
5 |
9943 |
82.7 |
2.9 |
0.331 |
3 |
0 |
0 |
0.000 |
| 46 |
121 |
|
[EDO]E:1477 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
19302 |
80.7 |
2.1 |
0.261 |
2 |
0 |
0 |
0.000 |
| 47 |
122 |
|
[EDO]G:1479 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
13 |
7 |
19443 |
80.0 |
2.4 |
0.420 |
1 |
0 |
0 |
0.000 |
| 48 |
123 |
|
[EDO]C:1476 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
19422 |
77.5 |
1.7 |
0.226 |
0 |
0 |
0 |
0.000 |
| 49 |
124 |
|
[EDO]C:1476 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
19271 |
75.6 |
1.6 |
0.229 |
1 |
0 |
0 |
0.000 |
| 50 |
125 |
|
E |
6 |
2 |
19302 |
◊ |
D |
-x,y-1/2,-z+2 |
2_547 |
7 |
2 |
19271 |
74.7 |
-1.8 |
0.128 |
0 |
0 |
0 |
0.005 |
| 51 |
126 |
|
E |
13 |
7 |
19302 |
◊ |
J |
-x,y-1/2,-z+1 |
2_546 |
7 |
4 |
9936 |
71.6 |
-0.5 |
0.557 |
0 |
0 |
0 |
0.000 |
127 |
|
O |
6 |
4 |
9901 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
15 |
8 |
19271 |
62.6 |
-0.4 |
0.593 |
0 |
0 |
0 |
0.000 |
| Average: |
67.1 |
-0.5 |
0.575 |
0 |
0 |
0 |
0.000 |
| 52 |
128 |
|
[EDO]K:1142 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
12 |
4 |
19302 |
69.7 |
1.4 |
0.210 |
0 |
0 |
0 |
0.000 |
129 |
|
[EDO]I:1141 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
19422 |
69.5 |
1.4 |
0.205 |
0 |
0 |
0 |
0.000 |
130 |
|
[EDO]O:1141 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
19404 |
69.4 |
1.3 |
0.214 |
0 |
0 |
0 |
0.000 |
131 |
|
[EDO]J:1141 |
4 |
1 |
183 |
f |
H |
x,y,z |
1_555 |
12 |
4 |
19368 |
67.5 |
1.2 |
0.208 |
0 |
0 |
0 |
0.000 |
132 |
|
[EDO]N:1141 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
19271 |
67.3 |
1.3 |
0.211 |
0 |
0 |
0 |
0.000 |
| Average: |
68.7 |
1.3 |
0.210 |
0 |
0 |
0 |
0.000 |
| 53 |
133 |
|
[EDO]M:1141 |
4 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
11 |
4 |
19443 |
69.5 |
1.5 |
0.208 |
0 |
0 |
0 |
0.000 |
134 |
|
[EDO]L:1141 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
19433 |
68.3 |
1.5 |
0.207 |
0 |
0 |
0 |
0.000 |
| Average: |
68.9 |
1.5 |
0.207 |
0 |
0 |
0 |
0.000 |
| 54 |
135 |
|
[EDO]P:1141 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
12 |
4 |
19467 |
69.3 |
1.3 |
0.213 |
0 |
0 |
0 |
0.000 |
| 55 |
136 |
|
[EDO]G:1479 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
13 |
6 |
19368 |
69.0 |
1.2 |
0.750 |
3 |
0 |
0 |
0.002 |
| 56 |
137 |
|
O |
4 |
1 |
9901 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
1 |
19404 |
58.2 |
-0.8 |
0.146 |
0 |
0 |
0 |
0.004 |
138 |
|
H |
3 |
1 |
19368 |
◊ |
J |
-x,y-1/2,-z+1 |
2_546 |
5 |
1 |
9936 |
56.1 |
-0.8 |
0.156 |
0 |
0 |
0 |
0.004 |
| Average: |
57.1 |
-0.8 |
0.151 |
0 |
0 |
0 |
0.004 |
| 57 |
139 |
|
H |
5 |
1 |
19368 |
◊ |
A |
x-1,y,z-1 |
1_454 |
5 |
1 |
19404 |
56.9 |
1.4 |
0.900 |
0 |
0 |
0 |
0.000 |
| 58 |
140 |
|
[EDO]L:1142 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
19404 |
47.6 |
0.5 |
0.684 |
0 |
0 |
0 |
0.000 |
| 59 |
141 |
|
[EDO]M:1142 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
9 |
3 |
19368 |
47.3 |
0.5 |
0.677 |
0 |
0 |
0 |
0.000 |
| 60 |
142 |
|
K |
4 |
1 |
9947 |
◊ |
N |
-x,y-1/2,-z+2 |
2_547 |
5 |
1 |
9955 |
33.1 |
0.0 |
0.694 |
0 |
0 |
0 |
0.000 |
| 61 |
143 |
|
[MG]G:476 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
9 |
7 |
19443 |
31.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.137 |
144 |
|
[MG]C:476 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
19422 |
31.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.137 |
145 |
|
[MG]H:476 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
11 |
7 |
19368 |
30.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.137 |
146 |
|
[MG]B:476 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
19433 |
30.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.137 |
147 |
|
[MG]F:476 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
7 |
19467 |
30.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.137 |
148 |
|
[MG]D:476 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
19271 |
30.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.137 |
149 |
|
[MG]A:477 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
19404 |
30.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.137 |
150 |
|
[MG]E:476 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
7 |
19302 |
30.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.137 |
| Average: |
30.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.137 |
| 62 |
151 |
|
[EDO]B:1476 |
3 |
1 |
184 |
f |
[EDO]B:1475 |
x,y,z |
1_555 |
3 |
1 |
186 |
28.8 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 63 |
152 |
|
[EDO]D:1477 |
3 |
1 |
185 |
f |
[EDO]D:1475 |
x,y,z |
1_555 |
3 |
1 |
185 |
28.8 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
153 |
|
[EDO]E:1476 |
3 |
1 |
185 |
f |
[EDO]E:1475 |
x,y,z |
1_555 |
3 |
1 |
184 |
28.5 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| Average: |
28.7 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 64 |
154 |
|
[MG]E:476 |
1 |
1 |
98 |
f |
[CAP]E:477 |
x,y,z |
1_555 |
3 |
1 |
484 |
28.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.094 |
155 |
|
[MG]G:476 |
1 |
1 |
98 |
f |
[CAP]G:477 |
x,y,z |
1_555 |
3 |
1 |
485 |
28.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.094 |
156 |
|
[MG]D:476 |
1 |
1 |
98 |
f |
[CAP]D:477 |
x,y,z |
1_555 |
3 |
1 |
486 |
28.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.094 |
157 |
|
[MG]F:476 |
1 |
1 |
98 |
f |
[CAP]F:477 |
x,y,z |
1_555 |
3 |
1 |
486 |
28.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.094 |
158 |
|
[MG]H:476 |
1 |
1 |
98 |
f |
[CAP]H:477 |
x,y,z |
1_555 |
3 |
1 |
485 |
28.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.094 |
159 |
|
[MG]C:476 |
1 |
1 |
98 |
f |
[CAP]C:477 |
x,y,z |
1_555 |
3 |
1 |
481 |
28.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.094 |
160 |
|
[MG]A:477 |
1 |
1 |
98 |
f |
[CAP]A:476 |
x,y,z |
1_555 |
3 |
1 |
482 |
28.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.094 |
161 |
|
[MG]B:476 |
1 |
1 |
98 |
f |
[CAP]B:477 |
x,y,z |
1_555 |
3 |
1 |
486 |
28.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.094 |
| Average: |
28.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.094 |
| 65 |
162 |
|
[EDO]G:1476 |
3 |
1 |
184 |
f |
[EDO]G:1475 |
x,y,z |
1_555 |
3 |
1 |
183 |
27.4 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 66 |
163 |
|
[EDO]B:1477 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
19404 |
22.9 |
-0.0 |
0.408 |
0 |
0 |
0 |
0.000 |
| 67 |
164 |
|
[EDO]G:1480 |
2 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
2 |
1 |
19368 |
21.9 |
0.1 |
0.410 |
0 |
0 |
0 |
0.000 |
| 68 |
165 |
|
[EDO]A:1478 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
19433 |
21.6 |
-0.0 |
0.504 |
0 |
0 |
0 |
0.000 |
| 69 |
166 |
|
[EDO]C:1477 |
1 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
19271 |
20.7 |
-0.1 |
0.522 |
0 |
0 |
0 |
0.002 |
| 70 |
167 |
|
[EDO]F:1476 |
2 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
2 |
1 |
19302 |
20.1 |
-0.0 |
0.438 |
0 |
0 |
0 |
0.000 |
| 71 |
168 |
|
[EDO]N:1142 |
2 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
19422 |
19.9 |
0.3 |
0.833 |
0 |
0 |
0 |
0.000 |
| 72 |
169 |
|
[EDO]H:1476 |
2 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
2 |
1 |
19443 |
17.8 |
-0.0 |
0.462 |
0 |
0 |
0 |
0.001 |
| 73 |
170 |
|
K |
3 |
1 |
9947 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
1 |
19433 |
17.6 |
0.2 |
0.639 |
0 |
0 |
0 |
0.000 |
171 |
|
G |
3 |
1 |
19443 |
◊ |
N |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
9955 |
16.9 |
0.1 |
0.601 |
0 |
0 |
0 |
0.000 |
| Average: |
17.3 |
0.2 |
0.620 |
0 |
0 |
0 |
0.000 |
| 74 |
172 |
|
[EDO]B:1477 |
1 |
1 |
185 |
f |
[EDO]A:1480 |
x,y,z |
1_555 |
3 |
1 |
185 |
17.2 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 75 |
173 |
|
[EDO]O:1142 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
19433 |
17.0 |
0.2 |
0.818 |
0 |
0 |
0 |
0.000 |
| 76 |
174 |
|
[EDO]K:1141 |
2 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
3 |
2 |
19467 |
16.6 |
0.2 |
0.808 |
0 |
0 |
0 |
0.000 |
| 77 |
175 |
|
[EDO]J:1142 |
2 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
3 |
2 |
19443 |
15.5 |
0.2 |
0.789 |
0 |
0 |
0 |
0.000 |
| 78 |
176 |
|
[EDO]H:1477 |
2 |
1 |
184 |
f |
[EDO]G:1480 |
x,y,z |
1_555 |
1 |
1 |
184 |
15.5 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 79 |
177 |
|
[EDO]F:1476 |
1 |
1 |
185 |
◊ |
[EDO]E:1477 |
x,y,z |
1_555 |
2 |
1 |
185 |
14.5 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 80 |
178 |
|
[EDO]B:1478 |
2 |
1 |
185 |
◊ |
[EDO]A:1478 |
x,y,z |
1_555 |
1 |
1 |
185 |
12.6 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 81 |
179 |
|
[MG]H:476 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
19443 |
12.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
180 |
|
[MG]G:476 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
19368 |
12.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
181 |
|
[MG]A:477 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
19433 |
12.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
182 |
|
[MG]D:476 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19422 |
12.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
183 |
|
[MG]E:476 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
19467 |
11.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
184 |
|
[MG]C:476 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
19271 |
11.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
185 |
|
[MG]B:476 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
19404 |
11.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
186 |
|
[MG]F:476 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
19302 |
11.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
12.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
| 82 |
187 |
|
N |
2 |
1 |
9955 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
19433 |
10.6 |
0.0 |
0.619 |
0 |
0 |
0 |
0.000 |
188 |
|
G |
1 |
1 |
19443 |
◊ |
K |
x,y,z-1 |
1_554 |
1 |
1 |
9947 |
0.6 |
-0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
| Average: |
5.6 |
0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
| 83 |
189 |
|
[EDO]D:1478 |
1 |
1 |
185 |
f |
[CAP]D:477 |
x,y,z |
1_555 |
1 |
1 |
486 |
9.9 |
-0.3 |
0.447 |
0 |
0 |
0 |
0.009 |
| 84 |
190 |
|
[EDO]A:1479 |
2 |
1 |
186 |
f |
[CAP]A:476 |
x,y,z |
1_555 |
1 |
1 |
482 |
9.8 |
-0.3 |
0.500 |
0 |
0 |
0 |
0.007 |
| 85 |
191 |
|
L |
1 |
1 |
9943 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
19422 |
9.8 |
-0.3 |
0.304 |
0 |
0 |
0 |
0.003 |
192 |
|
I |
1 |
1 |
9995 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
19433 |
8.7 |
-0.3 |
0.324 |
0 |
0 |
0 |
0.003 |
193 |
|
P |
1 |
1 |
9999 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
19443 |
8.5 |
-0.3 |
0.331 |
0 |
0 |
0 |
0.003 |
194 |
|
M |
1 |
1 |
9948 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
19467 |
8.1 |
-0.3 |
0.334 |
0 |
0 |
0 |
0.003 |
195 |
|
O |
1 |
1 |
9901 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
19368 |
7.0 |
-0.2 |
0.365 |
0 |
0 |
0 |
0.003 |
196 |
|
K |
1 |
1 |
9947 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
19271 |
6.6 |
-0.2 |
0.375 |
0 |
0 |
0 |
0.003 |
197 |
|
J |
1 |
1 |
9936 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
19404 |
6.2 |
-0.2 |
0.317 |
0 |
0 |
0 |
0.003 |
198 |
|
N |
1 |
1 |
9955 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
19302 |
5.8 |
-0.2 |
0.326 |
0 |
0 |
0 |
0.003 |
| Average: |
7.6 |
-0.2 |
0.334 |
0 |
0 |
0 |
0.003 |
| 86 |
199 |
|
[EDO]H:1476 |
1 |
1 |
184 |
◊ |
[EDO]G:1477 |
x,y,z |
1_555 |
1 |
1 |
184 |
9.7 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 87 |
200 |
|
[EDO]D:1476 |
2 |
1 |
185 |
◊ |
[EDO]C:1477 |
x,y,z |
1_555 |
1 |
1 |
184 |
9.3 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 88 |
201 |
|
[EDO]H:1478 |
2 |
1 |
186 |
f |
[CAP]H:477 |
x,y,z |
1_555 |
1 |
1 |
485 |
5.6 |
-0.1 |
0.548 |
0 |
0 |
0 |
0.003 |
| 89 |
202 |
|
E |
1 |
1 |
19302 |
f |
[EDO]D:1476 |
-x,y-1/2,-z+2 |
2_547 |
1 |
1 |
185 |
3.7 |
0.2 |
0.893 |
0 |
0 |
0 |
0.000 |
| 90 |
203 |
|
[EDO]G:1477 |
1 |
1 |
184 |
f |
N |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
9955 |
3.2 |
0.2 |
0.919 |
0 |
0 |
0 |
0.000 |
204 |
|
K |
1 |
1 |
9947 |
f |
[EDO]B:1478 |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
185 |
1.4 |
0.1 |
0.885 |
0 |
0 |
0 |
0.000 |
| Average: |
2.3 |
0.2 |
0.902 |
0 |
0 |
0 |
0.000 |
| 91 |
205 |
|
[EDO]E:1477 |
1 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
19467 |
2.0 |
-0.0 |
0.675 |
0 |
0 |
0 |
0.000 |
|