| ## |
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 |
501 |
133 |
19255 |
◊ |
A |
x,y,z |
1_555 |
490 |
131 |
19123 |
4601.2 |
-48.1 |
0.012 |
85 |
24 |
1 |
0.778 |
2 |
|
H |
500 |
133 |
19122 |
◊ |
G |
x,y,z |
1_555 |
497 |
131 |
19151 |
4593.9 |
-48.0 |
0.014 |
88 |
24 |
1 |
0.778 |
3 |
|
D |
491 |
131 |
19081 |
◊ |
C |
x,y,z |
1_555 |
490 |
130 |
19263 |
4592.4 |
-47.6 |
0.013 |
86 |
24 |
1 |
0.778 |
4 |
|
F |
490 |
130 |
19260 |
◊ |
E |
x,y,z |
1_555 |
492 |
132 |
19167 |
4586.9 |
-47.5 |
0.013 |
86 |
24 |
1 |
0.778 |
| Average: |
4593.6 |
-47.8 |
0.013 |
86 |
24 |
1 |
0.778 |
| 2 |
5 |
|
I |
203 |
43 |
9906 |
◊ |
A |
x,y,z |
1_555 |
215 |
52 |
19123 |
1877.9 |
-17.6 |
0.330 |
17 |
4 |
0 |
0.688 |
6 |
|
P |
203 |
43 |
9880 |
◊ |
H |
x,y,z |
1_555 |
214 |
53 |
19122 |
1872.7 |
-17.5 |
0.351 |
17 |
4 |
0 |
0.688 |
7 |
|
J |
202 |
44 |
9867 |
◊ |
B |
x,y,z |
1_555 |
214 |
51 |
19255 |
1865.5 |
-17.0 |
0.361 |
17 |
5 |
0 |
0.688 |
8 |
|
O |
206 |
45 |
9870 |
◊ |
G |
x,y,z |
1_555 |
215 |
52 |
19151 |
1865.5 |
-17.1 |
0.357 |
20 |
4 |
0 |
0.688 |
9 |
|
N |
205 |
45 |
9852 |
◊ |
F |
x,y,z |
1_555 |
217 |
52 |
19260 |
1864.6 |
-17.4 |
0.347 |
19 |
5 |
0 |
0.688 |
10 |
|
L |
204 |
44 |
9880 |
◊ |
D |
x,y,z |
1_555 |
216 |
52 |
19081 |
1863.5 |
-17.1 |
0.346 |
18 |
4 |
0 |
0.688 |
11 |
|
K |
206 |
44 |
9914 |
◊ |
C |
x,y,z |
1_555 |
213 |
52 |
19263 |
1860.2 |
-17.0 |
0.351 |
17 |
5 |
0 |
0.688 |
12 |
|
M |
204 |
45 |
9876 |
◊ |
E |
x,y,z |
1_555 |
213 |
52 |
19167 |
1855.0 |
-16.9 |
0.353 |
20 |
5 |
0 |
0.688 |
| Average: |
1865.6 |
-17.2 |
0.349 |
18 |
5 |
0 |
0.688 |
| 3 |
13 |
|
K |
105 |
28 |
9914 |
◊ |
E |
x,y,z |
1_555 |
114 |
32 |
19167 |
973.2 |
-3.9 |
0.707 |
12 |
4 |
0 |
0.164 |
14 |
|
I |
103 |
28 |
9906 |
◊ |
C |
x,y,z |
1_555 |
117 |
32 |
19263 |
972.0 |
-3.5 |
0.728 |
12 |
4 |
0 |
0.164 |
15 |
|
J |
102 |
28 |
9867 |
◊ |
H |
x,y,z |
1_555 |
112 |
31 |
19122 |
969.9 |
-3.9 |
0.711 |
12 |
4 |
0 |
0.164 |
16 |
|
P |
106 |
28 |
9880 |
◊ |
F |
x,y,z |
1_555 |
116 |
32 |
19260 |
965.9 |
-3.8 |
0.722 |
12 |
4 |
0 |
0.164 |
17 |
|
L |
104 |
29 |
9880 |
◊ |
B |
x,y,z |
1_555 |
113 |
31 |
19255 |
965.6 |
-3.8 |
0.711 |
12 |
4 |
0 |
0.164 |
18 |
|
N |
103 |
27 |
9852 |
◊ |
D |
x,y,z |
1_555 |
116 |
33 |
19081 |
965.5 |
-3.9 |
0.709 |
12 |
4 |
0 |
0.164 |
19 |
|
O |
104 |
28 |
9870 |
◊ |
A |
x,y,z |
1_555 |
114 |
31 |
19123 |
964.1 |
-3.7 |
0.723 |
12 |
4 |
0 |
0.164 |
20 |
|
M |
103 |
28 |
9876 |
◊ |
G |
x,y,z |
1_555 |
111 |
32 |
19151 |
959.4 |
-3.6 |
0.717 |
12 |
4 |
0 |
0.164 |
| Average: |
967.0 |
-3.8 |
0.716 |
12 |
4 |
0 |
0.164 |
| 4 |
21 |
|
M |
65 |
20 |
9876 |
◊ |
K |
x,y,z |
1_555 |
60 |
17 |
9914 |
588.0 |
-10.2 |
0.260 |
4 |
0 |
0 |
1.000 |
22 |
|
N |
59 |
17 |
9852 |
◊ |
L |
x,y,z |
1_555 |
65 |
20 |
9880 |
587.7 |
-10.3 |
0.252 |
4 |
0 |
0 |
1.000 |
23 |
|
P |
64 |
20 |
9880 |
◊ |
J |
x,y,z |
1_555 |
60 |
17 |
9867 |
586.5 |
-10.2 |
0.261 |
4 |
0 |
0 |
1.000 |
24 |
|
O |
59 |
17 |
9870 |
◊ |
I |
x,y,z |
1_555 |
64 |
20 |
9906 |
585.4 |
-10.0 |
0.266 |
4 |
0 |
0 |
1.000 |
25 |
|
K |
64 |
20 |
9914 |
◊ |
I |
x,y,z |
1_555 |
58 |
17 |
9906 |
583.5 |
-10.1 |
0.254 |
4 |
0 |
0 |
1.000 |
26 |
|
O |
63 |
20 |
9870 |
◊ |
M |
x,y,z |
1_555 |
59 |
17 |
9876 |
579.9 |
-10.1 |
0.257 |
4 |
0 |
0 |
1.000 |
27 |
|
P |
59 |
17 |
9880 |
◊ |
N |
x,y,z |
1_555 |
64 |
20 |
9852 |
577.1 |
-10.0 |
0.272 |
4 |
0 |
0 |
1.000 |
28 |
|
L |
60 |
17 |
9880 |
◊ |
J |
x,y,z |
1_555 |
63 |
20 |
9867 |
574.2 |
-10.0 |
0.271 |
4 |
0 |
0 |
1.000 |
| Average: |
582.8 |
-10.1 |
0.261 |
4 |
0 |
0 |
1.000 |
| 5 |
29 |
|
H |
53 |
18 |
19122 |
◊ |
E |
x,y,z |
1_555 |
52 |
18 |
19167 |
514.3 |
-3.6 |
0.387 |
6 |
2 |
0 |
0.067 |
30 |
|
F |
52 |
18 |
19260 |
◊ |
C |
x,y,z |
1_555 |
53 |
18 |
19263 |
513.0 |
-3.3 |
0.413 |
6 |
2 |
0 |
0.067 |
31 |
|
G |
52 |
18 |
19151 |
◊ |
B |
x,y,z |
1_555 |
54 |
18 |
19255 |
508.4 |
-3.5 |
0.391 |
6 |
2 |
0 |
0.067 |
32 |
|
D |
53 |
18 |
19081 |
◊ |
A |
x,y,z |
1_555 |
53 |
18 |
19123 |
503.9 |
-3.6 |
0.377 |
6 |
2 |
0 |
0.067 |
| Average: |
509.9 |
-3.5 |
0.392 |
6 |
2 |
0 |
0.067 |
| 6 |
33 |
|
E |
49 |
13 |
19167 |
◊ |
C |
x,y,z |
1_555 |
53 |
18 |
19263 |
488.8 |
2.2 |
0.815 |
5 |
4 |
0 |
0.000 |
34 |
|
G |
53 |
18 |
19151 |
◊ |
A |
x,y,z |
1_555 |
48 |
14 |
19123 |
488.5 |
3.2 |
0.836 |
4 |
4 |
0 |
0.000 |
35 |
|
F |
54 |
18 |
19260 |
◊ |
D |
x,y,z |
1_555 |
49 |
14 |
19081 |
487.9 |
2.2 |
0.810 |
4 |
4 |
0 |
0.000 |
36 |
|
H |
48 |
13 |
19122 |
◊ |
B |
x,y,z |
1_555 |
55 |
18 |
19255 |
486.5 |
1.9 |
0.804 |
3 |
4 |
0 |
0.000 |
37 |
|
C |
48 |
13 |
19263 |
◊ |
A |
x,y,z |
1_555 |
54 |
18 |
19123 |
483.0 |
2.2 |
0.816 |
4 |
4 |
0 |
0.000 |
38 |
|
G |
49 |
13 |
19151 |
◊ |
E |
x,y,z |
1_555 |
53 |
18 |
19167 |
482.2 |
2.8 |
0.823 |
4 |
4 |
0 |
0.000 |
39 |
|
H |
56 |
18 |
19122 |
◊ |
F |
x,y,z |
1_555 |
51 |
14 |
19260 |
481.0 |
2.5 |
0.820 |
5 |
4 |
0 |
0.000 |
40 |
|
D |
50 |
18 |
19081 |
◊ |
B |
x,y,z |
1_555 |
49 |
13 |
19255 |
479.4 |
2.9 |
0.828 |
4 |
4 |
0 |
0.000 |
| Average: |
484.7 |
2.5 |
0.819 |
4 |
4 |
0 |
0.000 |
| 7 |
41 |
|
K |
53 |
14 |
9914 |
◊ |
F |
x,y,z |
1_555 |
53 |
12 |
19260 |
472.5 |
-6.0 |
0.247 |
3 |
0 |
0 |
0.153 |
42 |
|
O |
53 |
14 |
9870 |
◊ |
B |
x,y,z |
1_555 |
55 |
12 |
19255 |
470.9 |
-5.8 |
0.285 |
4 |
0 |
0 |
0.153 |
43 |
|
N |
54 |
14 |
9852 |
◊ |
C |
x,y,z |
1_555 |
53 |
12 |
19263 |
467.2 |
-5.9 |
0.284 |
3 |
0 |
0 |
0.153 |
44 |
|
J |
48 |
12 |
9867 |
◊ |
G |
x,y,z |
1_555 |
49 |
11 |
19151 |
447.3 |
-5.2 |
0.331 |
5 |
0 |
0 |
0.153 |
45 |
|
P |
45 |
13 |
9880 |
◊ |
E |
x,y,z |
1_555 |
49 |
11 |
19167 |
436.2 |
-5.5 |
0.251 |
4 |
0 |
0 |
0.153 |
46 |
|
M |
46 |
13 |
9876 |
◊ |
H |
x,y,z |
1_555 |
50 |
11 |
19122 |
436.1 |
-5.1 |
0.283 |
4 |
0 |
0 |
0.153 |
47 |
|
L |
48 |
13 |
9880 |
◊ |
A |
x,y,z |
1_555 |
51 |
11 |
19123 |
434.3 |
-5.0 |
0.285 |
2 |
0 |
0 |
0.153 |
48 |
|
I |
44 |
12 |
9906 |
◊ |
D |
x,y,z |
1_555 |
47 |
10 |
19081 |
399.5 |
-5.5 |
0.273 |
4 |
0 |
0 |
0.153 |
| Average: |
445.5 |
-5.5 |
0.280 |
4 |
0 |
0 |
0.153 |
| 8 |
49 |
|
I |
41 |
14 |
9906 |
◊ |
L |
-x+1,y-1/2,-z+2 |
2_647 |
40 |
11 |
9880 |
374.3 |
-3.3 |
0.548 |
4 |
0 |
0 |
0.000 |
50 |
|
M |
41 |
11 |
9876 |
◊ |
P |
-x,y-1/2,-z+1 |
2_546 |
40 |
14 |
9880 |
363.5 |
-3.3 |
0.547 |
2 |
0 |
0 |
0.000 |
| Average: |
368.9 |
-3.3 |
0.548 |
3 |
0 |
0 |
0.000 |
| 9 |
51 |
|
H |
36 |
12 |
19122 |
◊ |
L |
-x,y-1/2,-z+1 |
2_546 |
28 |
7 |
9880 |
305.8 |
-0.4 |
0.696 |
1 |
4 |
0 |
0.000 |
52 |
|
M |
27 |
7 |
9876 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
37 |
12 |
19123 |
297.9 |
-0.5 |
0.679 |
2 |
4 |
0 |
0.000 |
| Average: |
301.9 |
-0.4 |
0.687 |
2 |
4 |
0 |
0.000 |
| 10 |
53 |
|
[CAP]E:477 |
20 |
1 |
484 |
f |
E |
x,y,z |
1_555 |
51 |
23 |
19167 |
289.4 |
-5.1 |
0.620 |
17 |
0 |
0 |
0.342 |
54 |
|
[CAP]D:477 |
20 |
1 |
486 |
f |
D |
x,y,z |
1_555 |
49 |
23 |
19081 |
287.8 |
-5.3 |
0.590 |
18 |
0 |
0 |
0.342 |
55 |
|
[CAP]C:477 |
20 |
1 |
482 |
f |
C |
x,y,z |
1_555 |
50 |
23 |
19263 |
286.3 |
-5.2 |
0.603 |
17 |
0 |
0 |
0.342 |
56 |
|
[CAP]F:477 |
20 |
1 |
483 |
f |
F |
x,y,z |
1_555 |
52 |
23 |
19260 |
284.6 |
-5.0 |
0.622 |
18 |
0 |
0 |
0.342 |
57 |
|
[CAP]H:477 |
20 |
1 |
484 |
f |
H |
x,y,z |
1_555 |
51 |
23 |
19122 |
284.5 |
-5.2 |
0.616 |
18 |
0 |
0 |
0.342 |
58 |
|
[CAP]B:477 |
20 |
1 |
481 |
f |
B |
x,y,z |
1_555 |
49 |
23 |
19255 |
283.6 |
-5.1 |
0.616 |
18 |
0 |
0 |
0.342 |
59 |
|
[CAP]A:477 |
20 |
1 |
480 |
f |
A |
x,y,z |
1_555 |
51 |
23 |
19123 |
283.4 |
-5.1 |
0.611 |
17 |
0 |
0 |
0.342 |
60 |
|
[CAP]G:477 |
20 |
1 |
482 |
f |
G |
x,y,z |
1_555 |
49 |
22 |
19151 |
282.9 |
-5.2 |
0.605 |
18 |
0 |
0 |
0.342 |
| Average: |
285.3 |
-5.1 |
0.610 |
18 |
0 |
0 |
0.342 |
| 11 |
61 |
|
F |
31 |
9 |
19260 |
◊ |
B |
x-1,y,z |
1_455 |
31 |
13 |
19255 |
242.7 |
0.6 |
0.724 |
0 |
3 |
0 |
0.000 |
| 12 |
62 |
|
E |
18 |
6 |
19167 |
◊ |
C |
-x,y-1/2,-z+2 |
2_547 |
22 |
8 |
19263 |
185.9 |
3.6 |
0.921 |
3 |
3 |
0 |
0.000 |
| 13 |
63 |
|
G |
21 |
9 |
19151 |
◊ |
C |
x,y,z-1 |
1_554 |
17 |
7 |
19263 |
184.1 |
-0.1 |
0.617 |
1 |
2 |
0 |
0.000 |
| 14 |
64 |
|
I |
22 |
5 |
9906 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
17 |
5 |
19123 |
180.9 |
-1.6 |
0.484 |
2 |
1 |
0 |
0.000 |
65 |
|
H |
18 |
5 |
19122 |
◊ |
P |
-x,y-1/2,-z+1 |
2_546 |
19 |
5 |
9880 |
179.5 |
-1.3 |
0.504 |
2 |
2 |
0 |
0.000 |
| Average: |
180.2 |
-1.4 |
0.494 |
2 |
2 |
0 |
0.000 |
| 15 |
66 |
|
F |
18 |
7 |
19260 |
◊ |
D |
-x,y-1/2,-z+2 |
2_547 |
18 |
5 |
19081 |
172.6 |
1.9 |
0.841 |
1 |
2 |
0 |
0.000 |
| 16 |
67 |
|
[EDO]C:1482 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
28 |
15 |
19263 |
137.0 |
3.7 |
0.651 |
2 |
0 |
0 |
0.000 |
| 17 |
68 |
|
P |
16 |
4 |
9880 |
◊ |
I |
x-1,y,z-1 |
1_454 |
14 |
3 |
9906 |
126.5 |
0.2 |
0.768 |
0 |
5 |
0 |
0.000 |
| 18 |
69 |
|
[EDO]H:1481 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
18 |
13 |
19122 |
123.7 |
3.8 |
0.657 |
3 |
0 |
0 |
0.000 |
| 19 |
70 |
|
[EDO]A:1484 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
13 |
19123 |
123.2 |
3.9 |
0.670 |
3 |
0 |
0 |
0.000 |
| 20 |
71 |
|
[EDO]F:1481 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
17 |
13 |
19260 |
120.3 |
3.8 |
0.665 |
2 |
0 |
0 |
0.000 |
| 21 |
72 |
|
[EDO]I:1142 |
4 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
21 |
9 |
9906 |
117.3 |
3.3 |
0.534 |
1 |
0 |
0 |
0.000 |
73 |
|
[EDO]P:1141 |
4 |
1 |
185 |
◊ |
P |
x,y,z |
1_555 |
19 |
8 |
9880 |
112.6 |
3.3 |
0.539 |
1 |
0 |
0 |
0.000 |
| Average: |
114.9 |
3.3 |
0.536 |
1 |
0 |
0 |
0.000 |
| 22 |
74 |
|
[EDO]H:1476 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
26 |
11 |
19122 |
116.4 |
3.1 |
0.455 |
3 |
0 |
0 |
0.000 |
75 |
|
[EDO]C:1480 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
25 |
11 |
19263 |
115.6 |
3.2 |
0.463 |
3 |
0 |
0 |
0.000 |
| Average: |
116.0 |
3.1 |
0.459 |
3 |
0 |
0 |
0.000 |
| 23 |
76 |
|
[EDO]B:1477 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
25 |
11 |
19255 |
116.4 |
3.2 |
0.468 |
3 |
0 |
0 |
0.000 |
77 |
|
[EDO]E:1476 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
24 |
11 |
19167 |
115.3 |
3.1 |
0.458 |
3 |
0 |
0 |
0.000 |
78 |
|
[EDO]F:1484 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
23 |
11 |
19260 |
114.7 |
3.1 |
0.464 |
3 |
0 |
0 |
0.000 |
| Average: |
115.5 |
3.2 |
0.463 |
3 |
0 |
0 |
0.000 |
| 24 |
79 |
|
[EDO]G:1476 |
4 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
25 |
11 |
19151 |
116.4 |
3.3 |
0.463 |
3 |
0 |
0 |
0.000 |
80 |
|
[EDO]A:1481 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
24 |
11 |
19123 |
114.9 |
3.2 |
0.463 |
3 |
0 |
0 |
0.000 |
| Average: |
115.7 |
3.2 |
0.463 |
3 |
0 |
0 |
0.000 |
| 25 |
81 |
|
[EDO]D:1477 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
22 |
11 |
19081 |
114.9 |
3.1 |
0.457 |
3 |
0 |
0 |
0.000 |
| 26 |
82 |
|
[EDO]O:1142 |
4 |
1 |
185 |
◊ |
O |
x,y,z |
1_555 |
22 |
9 |
9870 |
114.3 |
3.4 |
0.536 |
2 |
0 |
0 |
0.000 |
| 27 |
83 |
|
[EDO]K:1141 |
4 |
1 |
185 |
◊ |
K |
x,y,z |
1_555 |
21 |
9 |
9914 |
112.2 |
3.6 |
0.530 |
3 |
0 |
0 |
0.000 |
| 28 |
84 |
|
[EDO]J:1142 |
4 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
20 |
9 |
9867 |
112.1 |
3.4 |
0.520 |
2 |
0 |
0 |
0.000 |
| 29 |
85 |
|
H |
11 |
4 |
19122 |
◊ |
N |
-x,y-1/2,-z+1 |
2_546 |
14 |
5 |
9852 |
110.4 |
-1.0 |
0.470 |
0 |
0 |
0 |
0.000 |
86 |
|
K |
12 |
4 |
9914 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
11 |
5 |
19123 |
100.1 |
-0.5 |
0.590 |
1 |
1 |
0 |
0.000 |
| Average: |
105.2 |
-0.8 |
0.530 |
1 |
1 |
0 |
0.000 |
| 30 |
87 |
|
[EDO]F:1483 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
22 |
9 |
19260 |
110.1 |
3.3 |
0.645 |
3 |
0 |
0 |
0.000 |
| 31 |
88 |
|
[EDO]C:1478 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
23 |
9 |
19263 |
109.7 |
3.2 |
0.641 |
4 |
0 |
0 |
0.000 |
89 |
|
[EDO]D:1480 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
23 |
9 |
19081 |
108.5 |
3.2 |
0.641 |
4 |
0 |
0 |
0.000 |
90 |
|
[EDO]A:1483 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
19123 |
107.6 |
3.2 |
0.648 |
4 |
0 |
0 |
0.000 |
| Average: |
108.6 |
3.2 |
0.643 |
4 |
0 |
0 |
0.000 |
| 32 |
91 |
|
[EDO]G:1478 |
4 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
24 |
10 |
19151 |
109.7 |
3.3 |
0.646 |
3 |
0 |
0 |
0.000 |
| 33 |
92 |
|
[EDO]H:1482 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
24 |
10 |
19122 |
108.8 |
3.3 |
0.652 |
3 |
0 |
0 |
0.000 |
93 |
|
[EDO]E:1478 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
23 |
10 |
19167 |
107.8 |
3.2 |
0.645 |
4 |
0 |
0 |
0.000 |
| Average: |
108.3 |
3.3 |
0.648 |
4 |
0 |
0 |
0.000 |
| 34 |
94 |
|
[EDO]B:1481 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
19255 |
108.3 |
3.4 |
0.652 |
3 |
0 |
0 |
0.000 |
| 35 |
95 |
|
[EDO]N:1141 |
4 |
1 |
185 |
◊ |
N |
x,y,z |
1_555 |
20 |
9 |
9852 |
104.7 |
2.8 |
0.538 |
2 |
0 |
0 |
0.000 |
| 36 |
96 |
|
[CAP]B:477 |
14 |
1 |
481 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
19123 |
99.2 |
-0.8 |
0.797 |
3 |
0 |
0 |
0.038 |
97 |
|
[CAP]G:477 |
14 |
1 |
482 |
◊ |
H |
x,y,z |
1_555 |
14 |
5 |
19122 |
99.0 |
-1.0 |
0.783 |
3 |
0 |
0 |
0.038 |
98 |
|
[CAP]E:477 |
14 |
1 |
484 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
19260 |
98.7 |
-0.9 |
0.789 |
3 |
0 |
0 |
0.038 |
99 |
|
[CAP]D:477 |
14 |
1 |
486 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
19263 |
98.1 |
-0.8 |
0.791 |
3 |
0 |
0 |
0.038 |
100 |
|
[CAP]F:477 |
14 |
1 |
483 |
◊ |
E |
x,y,z |
1_555 |
13 |
5 |
19167 |
97.7 |
-0.9 |
0.787 |
3 |
0 |
0 |
0.038 |
101 |
|
[CAP]H:477 |
14 |
1 |
484 |
◊ |
G |
x,y,z |
1_555 |
13 |
5 |
19151 |
97.6 |
-1.0 |
0.785 |
3 |
0 |
0 |
0.038 |
102 |
|
[CAP]C:477 |
14 |
1 |
482 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
19081 |
97.5 |
-0.9 |
0.783 |
3 |
0 |
0 |
0.038 |
103 |
|
[CAP]A:477 |
14 |
1 |
480 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
19255 |
96.6 |
-1.0 |
0.779 |
3 |
0 |
0 |
0.038 |
| Average: |
98.0 |
-0.9 |
0.787 |
3 |
0 |
0 |
0.038 |
| 37 |
104 |
|
[EDO]E:1480 |
4 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
13 |
8 |
19167 |
98.1 |
2.1 |
0.299 |
1 |
0 |
0 |
0.000 |
105 |
|
[EDO]A:1482 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
8 |
19123 |
97.6 |
2.0 |
0.282 |
1 |
0 |
0 |
0.000 |
| Average: |
97.9 |
2.1 |
0.291 |
1 |
0 |
0 |
0.000 |
| 38 |
106 |
|
[EDO]F:1480 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
13 |
8 |
19260 |
97.7 |
2.2 |
0.290 |
1 |
0 |
0 |
0.000 |
107 |
|
[EDO]H:1480 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
13 |
8 |
19122 |
97.6 |
2.1 |
0.302 |
1 |
0 |
0 |
0.000 |
108 |
|
[EDO]B:1480 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
13 |
8 |
19255 |
97.5 |
2.0 |
0.291 |
1 |
0 |
0 |
0.000 |
109 |
|
[EDO]D:1481 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
12 |
8 |
19081 |
95.8 |
2.0 |
0.299 |
1 |
0 |
0 |
0.000 |
| Average: |
97.2 |
2.1 |
0.295 |
1 |
0 |
0 |
0.000 |
| 39 |
110 |
|
[EDO]C:1477 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
14 |
8 |
19263 |
93.9 |
2.4 |
0.344 |
1 |
0 |
0 |
0.000 |
| 40 |
111 |
|
[EDO]B:1479 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
19255 |
88.9 |
2.3 |
0.264 |
1 |
0 |
0 |
0.000 |
112 |
|
[EDO]G:1480 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
12 |
4 |
19151 |
86.7 |
2.3 |
0.262 |
0 |
0 |
0 |
0.000 |
| Average: |
87.8 |
2.3 |
0.263 |
1 |
0 |
0 |
0.000 |
| 41 |
113 |
|
[EDO]D:1478 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
19081 |
87.8 |
1.9 |
0.257 |
3 |
0 |
0 |
0.000 |
| 42 |
114 |
|
[EDO]F:1482 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
13 |
4 |
19260 |
86.8 |
2.0 |
0.263 |
3 |
0 |
0 |
0.000 |
| 43 |
115 |
|
[EDO]C:1481 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
19263 |
86.1 |
2.0 |
0.266 |
3 |
0 |
0 |
0.000 |
| 44 |
116 |
|
[EDO]N:1142 |
4 |
1 |
185 |
◊ |
N |
x,y,z |
1_555 |
11 |
5 |
9852 |
85.8 |
3.2 |
0.334 |
3 |
0 |
0 |
0.000 |
| 45 |
117 |
|
[EDO]H:1478 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
12 |
4 |
19122 |
85.2 |
1.9 |
0.264 |
4 |
0 |
0 |
0.000 |
| 46 |
118 |
|
[EDO]L:1141 |
4 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
10 |
5 |
9880 |
85.0 |
3.1 |
0.332 |
2 |
0 |
0 |
0.000 |
| 47 |
119 |
|
[EDO]K:1142 |
4 |
1 |
185 |
◊ |
K |
x,y,z |
1_555 |
12 |
5 |
9914 |
84.2 |
3.0 |
0.331 |
2 |
0 |
0 |
0.000 |
120 |
|
[EDO]O:1141 |
4 |
1 |
186 |
◊ |
O |
x,y,z |
1_555 |
11 |
5 |
9870 |
84.2 |
3.0 |
0.332 |
2 |
0 |
0 |
0.000 |
121 |
|
[EDO]J:1141 |
4 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
12 |
5 |
9867 |
83.6 |
3.0 |
0.331 |
2 |
0 |
0 |
0.000 |
122 |
|
[EDO]I:1141 |
4 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
11 |
5 |
9906 |
83.3 |
3.0 |
0.331 |
2 |
0 |
0 |
0.000 |
| Average: |
83.8 |
3.0 |
0.331 |
2 |
0 |
0 |
0.000 |
| 48 |
123 |
|
[EDO]A:1477 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
19123 |
84.1 |
1.8 |
0.262 |
4 |
0 |
0 |
0.000 |
| 49 |
124 |
|
[EDO]M:1141 |
4 |
1 |
184 |
◊ |
M |
x,y,z |
1_555 |
12 |
5 |
9876 |
83.4 |
2.9 |
0.333 |
3 |
0 |
0 |
0.000 |
| 50 |
125 |
|
[EDO]F:1479 |
4 |
1 |
184 |
◊ |
P |
x,y,z |
1_555 |
11 |
5 |
9880 |
82.4 |
3.0 |
0.333 |
2 |
0 |
0 |
0.000 |
| 51 |
126 |
|
[EDO]H:1483 |
4 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
8 |
5 |
19151 |
74.2 |
1.1 |
0.431 |
0 |
0 |
0 |
0.000 |
| 52 |
127 |
|
E |
6 |
3 |
19167 |
◊ |
D |
-x,y-1/2,-z+2 |
2_547 |
8 |
2 |
19081 |
70.9 |
-1.3 |
0.234 |
0 |
0 |
0 |
0.004 |
| 53 |
128 |
|
[EDO]I:1141 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
19263 |
70.6 |
1.5 |
0.221 |
0 |
0 |
0 |
0.000 |
129 |
|
[EDO]O:1141 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
19123 |
69.6 |
1.5 |
0.217 |
0 |
0 |
0 |
0.000 |
130 |
|
[EDO]J:1141 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
19122 |
69.4 |
1.3 |
0.201 |
0 |
0 |
0 |
0.000 |
131 |
|
[EDO]K:1142 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
19167 |
68.3 |
1.4 |
0.206 |
0 |
0 |
0 |
0.000 |
| Average: |
69.5 |
1.4 |
0.211 |
0 |
0 |
0 |
0.000 |
| 54 |
132 |
|
[EDO]F:1479 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
12 |
4 |
19260 |
70.4 |
1.3 |
0.200 |
0 |
0 |
0 |
0.000 |
| 55 |
133 |
|
[EDO]L:1141 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
19255 |
68.8 |
1.3 |
0.584 |
0 |
0 |
0 |
0.000 |
| 56 |
134 |
|
[EDO]M:1141 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
11 |
4 |
19151 |
67.9 |
1.5 |
0.199 |
0 |
0 |
0 |
0.000 |
| 57 |
135 |
|
[EDO]N:1142 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
19081 |
67.1 |
1.1 |
0.568 |
0 |
0 |
0 |
0.000 |
| 58 |
136 |
|
H |
6 |
2 |
19122 |
◊ |
A |
x-1,y,z-1 |
1_454 |
6 |
2 |
19123 |
61.7 |
0.8 |
0.813 |
0 |
0 |
0 |
0.000 |
| 59 |
137 |
|
O |
6 |
1 |
9870 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
8 |
4 |
19123 |
57.5 |
-0.7 |
0.464 |
0 |
0 |
0 |
0.000 |
138 |
|
H |
6 |
2 |
19122 |
◊ |
J |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
9867 |
49.3 |
-0.5 |
0.400 |
0 |
0 |
0 |
0.000 |
| Average: |
53.4 |
-0.6 |
0.432 |
0 |
0 |
0 |
0.000 |
| 60 |
139 |
|
O |
7 |
4 |
9870 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
15 |
8 |
19081 |
55.2 |
0.1 |
0.676 |
0 |
0 |
0 |
0.000 |
140 |
|
E |
9 |
6 |
19167 |
◊ |
J |
-x,y-1/2,-z+1 |
2_546 |
5 |
3 |
9867 |
43.9 |
0.1 |
0.680 |
0 |
0 |
0 |
0.000 |
| Average: |
49.6 |
0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
| 61 |
141 |
|
[EDO]H:1483 |
3 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
6 |
3 |
19122 |
50.8 |
0.4 |
0.428 |
0 |
0 |
0 |
0.000 |
| 62 |
142 |
|
[EDO]P:1141 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
4 |
1 |
19167 |
39.8 |
0.8 |
0.819 |
0 |
0 |
0 |
0.000 |
| 63 |
143 |
|
[EDO]H:1483 |
2 |
1 |
186 |
f |
[EDO]H:1478 |
x,y,z |
1_555 |
3 |
1 |
185 |
32.7 |
1.4 |
1.000 |
1 |
0 |
0 |
0.000 |
| 64 |
144 |
|
[MG]A:476 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
19123 |
31.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.133 |
145 |
|
[MG]G:476 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
10 |
7 |
19151 |
30.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.133 |
146 |
|
[MG]B:476 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
19255 |
30.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.133 |
147 |
|
[MG]C:476 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
19263 |
30.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.133 |
148 |
|
[MG]D:476 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
7 |
19081 |
30.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.133 |
149 |
|
[MG]F:476 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
7 |
19260 |
30.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.133 |
150 |
|
[MG]E:476 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
8 |
7 |
19167 |
30.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.133 |
151 |
|
[MG]H:476 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
8 |
7 |
19122 |
30.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.133 |
| Average: |
30.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.133 |
| 65 |
152 |
|
[EDO]D:1480 |
3 |
1 |
185 |
◊ |
[EDO]D:1477 |
x,y,z |
1_555 |
3 |
1 |
185 |
30.1 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
153 |
|
[EDO]H:1482 |
3 |
1 |
185 |
◊ |
[EDO]H:1476 |
x,y,z |
1_555 |
3 |
1 |
185 |
29.2 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
154 |
|
[EDO]E:1478 |
3 |
1 |
184 |
◊ |
[EDO]E:1476 |
x,y,z |
1_555 |
3 |
1 |
185 |
28.0 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| Average: |
29.1 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 66 |
155 |
|
[EDO]A:1483 |
3 |
1 |
184 |
f |
[EDO]A:1481 |
x,y,z |
1_555 |
3 |
1 |
184 |
29.6 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 67 |
156 |
|
[CAP]D:477 |
3 |
1 |
486 |
f |
[MG]D:476 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.089 |
157 |
|
[CAP]B:477 |
3 |
1 |
481 |
f |
[MG]B:476 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.089 |
158 |
|
[CAP]H:477 |
3 |
1 |
484 |
f |
[MG]H:476 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.089 |
159 |
|
[CAP]C:477 |
3 |
1 |
482 |
f |
[MG]C:476 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.089 |
160 |
|
[CAP]E:477 |
3 |
1 |
484 |
f |
[MG]E:476 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.089 |
161 |
|
[CAP]F:477 |
3 |
1 |
483 |
f |
[MG]F:476 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.089 |
162 |
|
[CAP]A:477 |
3 |
1 |
480 |
f |
[MG]A:476 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.089 |
163 |
|
[CAP]G:477 |
3 |
1 |
482 |
f |
[MG]G:476 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.089 |
| Average: |
28.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.089 |
| 68 |
164 |
|
[EDO]F:1484 |
3 |
1 |
185 |
f |
[EDO]F:1483 |
x,y,z |
1_555 |
3 |
1 |
186 |
28.4 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 69 |
165 |
|
[EDO]C:1480 |
2 |
1 |
184 |
◊ |
[EDO]C:1478 |
x,y,z |
1_555 |
3 |
1 |
185 |
28.0 |
1.4 |
0.707 |
0 |
0 |
0 |
0.000 |
| 70 |
166 |
|
[EDO]B:1481 |
3 |
1 |
184 |
f |
[EDO]B:1477 |
x,y,z |
1_555 |
3 |
1 |
185 |
27.3 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 71 |
167 |
|
[EDO]G:1478 |
3 |
1 |
185 |
f |
[EDO]G:1476 |
x,y,z |
1_555 |
3 |
1 |
185 |
26.3 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 72 |
168 |
|
[EDO]B:1480 |
3 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
19123 |
25.4 |
0.0 |
0.456 |
0 |
0 |
0 |
0.000 |
169 |
|
[EDO]D:1481 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
19263 |
24.3 |
0.1 |
0.469 |
0 |
0 |
0 |
0.000 |
170 |
|
[EDO]H:1480 |
3 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
3 |
2 |
19151 |
22.1 |
0.0 |
0.498 |
0 |
0 |
0 |
0.000 |
171 |
|
[EDO]F:1480 |
2 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
2 |
1 |
19167 |
21.0 |
0.0 |
0.415 |
0 |
0 |
0 |
0.000 |
| Average: |
23.2 |
0.0 |
0.460 |
0 |
0 |
0 |
0.000 |
| 73 |
172 |
|
[EDO]E:1480 |
3 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
3 |
2 |
19260 |
22.4 |
-0.0 |
0.492 |
0 |
0 |
0 |
0.000 |
173 |
|
[EDO]A:1482 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
19255 |
21.7 |
-0.0 |
0.501 |
0 |
0 |
0 |
0.000 |
| Average: |
22.0 |
-0.0 |
0.497 |
0 |
0 |
0 |
0.000 |
| 74 |
174 |
|
[EDO]C:1477 |
3 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
19081 |
22.3 |
0.1 |
0.403 |
0 |
0 |
0 |
0.000 |
| 75 |
175 |
|
[EDO]J:1142 |
2 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
3 |
2 |
19151 |
20.2 |
0.4 |
0.860 |
0 |
0 |
0 |
0.000 |
| 76 |
176 |
|
[EDO]O:1142 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
19255 |
19.3 |
0.2 |
0.758 |
0 |
0 |
0 |
0.000 |
| 77 |
177 |
|
[EDO]N:1141 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
19263 |
18.5 |
0.7 |
0.913 |
0 |
0 |
0 |
0.000 |
| 78 |
178 |
|
K |
2 |
1 |
9914 |
◊ |
N |
-x,y-1/2,-z+2 |
2_547 |
5 |
1 |
9852 |
18.0 |
0.0 |
0.696 |
0 |
0 |
0 |
0.000 |
| 79 |
179 |
|
G |
3 |
1 |
19151 |
◊ |
N |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
9852 |
15.5 |
0.1 |
0.615 |
0 |
0 |
0 |
0.000 |
180 |
|
K |
1 |
1 |
9914 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
19255 |
3.6 |
-0.0 |
0.552 |
0 |
0 |
0 |
0.000 |
| Average: |
9.5 |
0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
| 80 |
181 |
|
[EDO]D:1481 |
1 |
1 |
185 |
f |
[EDO]C:1481 |
x,y,z |
1_555 |
2 |
1 |
185 |
15.5 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 81 |
182 |
|
[EDO]D:1478 |
3 |
1 |
185 |
◊ |
[EDO]C:1477 |
x,y,z |
1_555 |
2 |
1 |
184 |
14.5 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 82 |
183 |
|
[EDO]B:1480 |
1 |
1 |
186 |
f |
[EDO]A:1477 |
x,y,z |
1_555 |
3 |
1 |
184 |
14.2 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 83 |
184 |
|
[EDO]B:1479 |
2 |
1 |
186 |
f |
[EDO]A:1482 |
x,y,z |
1_555 |
1 |
1 |
185 |
13.6 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 84 |
185 |
|
[EDO]F:1482 |
2 |
1 |
185 |
f |
[EDO]E:1480 |
x,y,z |
1_555 |
1 |
1 |
187 |
13.3 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
186 |
|
[EDO]H:1480 |
2 |
1 |
185 |
f |
[EDO]G:1480 |
x,y,z |
1_555 |
2 |
1 |
184 |
10.7 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| Average: |
12.0 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 85 |
187 |
|
[EDO]K:1141 |
2 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
3 |
2 |
19260 |
12.5 |
0.2 |
0.804 |
0 |
0 |
0 |
0.000 |
| 86 |
188 |
|
[MG]H:476 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
19151 |
12.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
189 |
|
[MG]F:476 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
19167 |
12.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
190 |
|
[MG]E:476 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
19260 |
11.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
191 |
|
[MG]A:476 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
19255 |
11.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
192 |
|
[MG]D:476 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19263 |
11.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
193 |
|
[MG]B:476 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
19123 |
11.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
194 |
|
[MG]C:476 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
19081 |
11.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
195 |
|
[MG]G:476 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
19122 |
11.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
11.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
| 87 |
196 |
|
N |
2 |
1 |
9852 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
19255 |
11.0 |
0.2 |
0.758 |
0 |
0 |
0 |
0.000 |
| 88 |
197 |
|
I |
1 |
1 |
9906 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
19255 |
8.3 |
-0.3 |
0.334 |
0 |
0 |
0 |
0.003 |
198 |
|
L |
1 |
1 |
9880 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
19263 |
7.7 |
-0.2 |
0.345 |
0 |
0 |
0 |
0.003 |
199 |
|
P |
1 |
1 |
9880 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
19151 |
7.4 |
-0.2 |
0.355 |
0 |
0 |
0 |
0.003 |
200 |
|
O |
1 |
1 |
9870 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
19122 |
6.8 |
-0.2 |
0.364 |
0 |
0 |
0 |
0.003 |
201 |
|
J |
1 |
1 |
9867 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19123 |
6.4 |
-0.2 |
0.377 |
0 |
0 |
0 |
0.003 |
202 |
|
K |
1 |
1 |
9914 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
19081 |
6.2 |
-0.2 |
0.313 |
0 |
0 |
0 |
0.003 |
203 |
|
N |
1 |
1 |
9852 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
19167 |
6.1 |
-0.2 |
0.318 |
0 |
0 |
0 |
0.003 |
204 |
|
M |
1 |
1 |
9876 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
19260 |
5.2 |
-0.2 |
0.342 |
0 |
0 |
0 |
0.003 |
| Average: |
6.8 |
-0.2 |
0.343 |
0 |
0 |
0 |
0.003 |
| 89 |
205 |
|
[EDO]F:1481 |
1 |
1 |
183 |
f |
[CAP]F:477 |
x,y,z |
1_555 |
1 |
1 |
483 |
6.3 |
-0.1 |
0.548 |
0 |
0 |
0 |
0.002 |
| 90 |
206 |
|
[EDO]H:1481 |
2 |
1 |
186 |
f |
[CAP]H:477 |
x,y,z |
1_555 |
1 |
1 |
484 |
6.2 |
-0.1 |
0.548 |
0 |
0 |
0 |
0.002 |
| 91 |
207 |
|
[EDO]A:1484 |
2 |
1 |
184 |
f |
[CAP]A:477 |
x,y,z |
1_555 |
1 |
1 |
480 |
6.0 |
-0.2 |
0.548 |
0 |
0 |
0 |
0.004 |
| 92 |
208 |
|
[EDO]I:1142 |
2 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
19081 |
4.8 |
0.1 |
0.889 |
0 |
0 |
0 |
0.000 |
| 93 |
209 |
|
E |
2 |
1 |
19167 |
f |
[EDO]D:1478 |
-x,y-1/2,-z+2 |
2_547 |
1 |
1 |
185 |
4.7 |
0.2 |
0.856 |
0 |
0 |
0 |
0.000 |
| 94 |
210 |
|
G |
1 |
1 |
19151 |
◊ |
P |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
9880 |
2.5 |
0.1 |
0.796 |
0 |
0 |
0 |
0.000 |
| 95 |
211 |
|
[EDO]C:1480 |
1 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
19081 |
1.4 |
-0.0 |
0.687 |
0 |
0 |
0 |
0.000 |
| 96 |
212 |
|
[EDO]F:1484 |
1 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
19167 |
0.9 |
-0.0 |
0.719 |
0 |
0 |
0 |
0.000 |
|