| ## |
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 |
484 |
130 |
19592 |
◊ |
A |
x,y,z |
1_555 |
487 |
130 |
19205 |
4592.3 |
-47.8 |
0.018 |
90 |
24 |
0 |
0.771 |
2 |
|
D |
488 |
131 |
19201 |
◊ |
C |
x,y,z |
1_555 |
478 |
130 |
19211 |
4581.8 |
-47.6 |
0.015 |
88 |
24 |
1 |
0.771 |
3 |
|
H |
484 |
130 |
19173 |
◊ |
G |
x,y,z |
1_555 |
489 |
130 |
19306 |
4575.0 |
-47.3 |
0.016 |
89 |
24 |
1 |
0.771 |
4 |
|
F |
483 |
130 |
19234 |
◊ |
E |
x,y,z |
1_555 |
484 |
131 |
19248 |
4566.5 |
-47.1 |
0.016 |
89 |
24 |
1 |
0.771 |
| Average: |
4578.9 |
-47.4 |
0.016 |
89 |
24 |
1 |
0.771 |
| 2 |
5 |
|
P |
203 |
44 |
9952 |
◊ |
H |
x,y,z |
1_555 |
214 |
54 |
19173 |
1880.1 |
-16.5 |
0.407 |
20 |
6 |
0 |
0.693 |
6 |
|
I |
200 |
44 |
9946 |
◊ |
A |
x,y,z |
1_555 |
215 |
54 |
19205 |
1874.4 |
-16.7 |
0.385 |
19 |
4 |
0 |
0.693 |
7 |
|
M |
202 |
44 |
9923 |
◊ |
E |
x,y,z |
1_555 |
212 |
53 |
19248 |
1869.8 |
-16.6 |
0.390 |
18 |
5 |
0 |
0.693 |
8 |
|
J |
204 |
44 |
9921 |
◊ |
B |
x,y,z |
1_555 |
218 |
53 |
19592 |
1868.7 |
-17.2 |
0.377 |
18 |
5 |
0 |
0.693 |
9 |
|
K |
202 |
44 |
9921 |
◊ |
C |
x,y,z |
1_555 |
215 |
53 |
19211 |
1866.4 |
-16.5 |
0.384 |
19 |
5 |
0 |
0.693 |
10 |
|
O |
199 |
44 |
9874 |
◊ |
G |
x,y,z |
1_555 |
217 |
55 |
19306 |
1865.4 |
-16.7 |
0.389 |
19 |
5 |
0 |
0.693 |
11 |
|
L |
200 |
44 |
9934 |
◊ |
D |
x,y,z |
1_555 |
213 |
53 |
19201 |
1863.0 |
-16.5 |
0.379 |
18 |
5 |
0 |
0.693 |
12 |
|
N |
202 |
44 |
9895 |
◊ |
F |
x,y,z |
1_555 |
216 |
53 |
19234 |
1861.8 |
-16.5 |
0.396 |
18 |
4 |
0 |
0.693 |
| Average: |
1868.7 |
-16.7 |
0.388 |
19 |
5 |
0 |
0.693 |
| 3 |
13 |
|
K |
106 |
28 |
9921 |
◊ |
E |
x,y,z |
1_555 |
117 |
33 |
19248 |
984.1 |
-4.5 |
0.700 |
12 |
4 |
0 |
0.171 |
14 |
|
P |
105 |
28 |
9952 |
◊ |
F |
x,y,z |
1_555 |
116 |
32 |
19234 |
979.6 |
-4.4 |
0.705 |
12 |
4 |
0 |
0.171 |
15 |
|
N |
102 |
28 |
9895 |
◊ |
D |
x,y,z |
1_555 |
117 |
32 |
19201 |
978.2 |
-4.9 |
0.672 |
12 |
4 |
0 |
0.171 |
16 |
|
J |
104 |
28 |
9921 |
◊ |
H |
x,y,z |
1_555 |
116 |
32 |
19173 |
974.7 |
-4.4 |
0.693 |
12 |
4 |
0 |
0.171 |
17 |
|
I |
103 |
28 |
9946 |
◊ |
C |
x,y,z |
1_555 |
114 |
32 |
19211 |
974.6 |
-4.3 |
0.699 |
12 |
4 |
0 |
0.171 |
18 |
|
M |
102 |
28 |
9923 |
◊ |
G |
x,y,z |
1_555 |
113 |
31 |
19306 |
974.4 |
-4.3 |
0.693 |
12 |
4 |
0 |
0.171 |
19 |
|
L |
103 |
28 |
9934 |
◊ |
B |
x,y,z |
1_555 |
110 |
31 |
19592 |
972.8 |
-4.4 |
0.692 |
13 |
4 |
0 |
0.171 |
20 |
|
O |
103 |
28 |
9874 |
◊ |
A |
x,y,z |
1_555 |
116 |
32 |
19205 |
972.0 |
-4.3 |
0.705 |
12 |
4 |
0 |
0.171 |
| Average: |
976.3 |
-4.4 |
0.695 |
12 |
4 |
0 |
0.171 |
| 4 |
21 |
|
N |
58 |
17 |
9895 |
◊ |
L |
x,y,z |
1_555 |
63 |
20 |
9934 |
591.1 |
-10.2 |
0.251 |
4 |
0 |
0 |
0.995 |
22 |
|
M |
65 |
20 |
9923 |
◊ |
K |
x,y,z |
1_555 |
59 |
17 |
9921 |
588.5 |
-10.3 |
0.256 |
4 |
0 |
0 |
0.995 |
23 |
|
O |
60 |
17 |
9874 |
◊ |
I |
x,y,z |
1_555 |
64 |
20 |
9946 |
587.2 |
-10.2 |
0.269 |
4 |
0 |
0 |
0.995 |
24 |
|
P |
63 |
20 |
9952 |
◊ |
J |
x,y,z |
1_555 |
59 |
17 |
9921 |
586.9 |
-10.2 |
0.256 |
4 |
0 |
0 |
0.995 |
25 |
|
K |
65 |
20 |
9921 |
◊ |
I |
x,y,z |
1_555 |
57 |
17 |
9946 |
582.5 |
-10.1 |
0.265 |
4 |
0 |
0 |
0.995 |
26 |
|
O |
63 |
20 |
9874 |
◊ |
M |
x,y,z |
1_555 |
59 |
17 |
9923 |
581.5 |
-10.2 |
0.258 |
4 |
0 |
0 |
0.995 |
27 |
|
P |
60 |
17 |
9952 |
◊ |
N |
x,y,z |
1_555 |
65 |
20 |
9895 |
580.2 |
-10.3 |
0.266 |
4 |
0 |
0 |
0.995 |
28 |
|
L |
59 |
17 |
9934 |
◊ |
J |
x,y,z |
1_555 |
65 |
20 |
9921 |
578.9 |
-10.2 |
0.261 |
4 |
0 |
0 |
0.995 |
| Average: |
584.6 |
-10.2 |
0.260 |
4 |
0 |
0 |
0.995 |
| 5 |
29 |
|
F |
52 |
15 |
19234 |
◊ |
C |
x,y,z |
1_555 |
50 |
15 |
19211 |
506.2 |
-3.9 |
0.359 |
6 |
2 |
0 |
0.082 |
30 |
|
H |
50 |
15 |
19173 |
◊ |
E |
x,y,z |
1_555 |
52 |
15 |
19248 |
500.0 |
-4.1 |
0.342 |
7 |
3 |
0 |
0.082 |
31 |
|
G |
49 |
15 |
19306 |
◊ |
B |
x,y,z |
1_555 |
49 |
15 |
19592 |
497.4 |
-4.0 |
0.346 |
8 |
2 |
0 |
0.082 |
32 |
|
D |
50 |
15 |
19201 |
◊ |
A |
x,y,z |
1_555 |
49 |
15 |
19205 |
493.2 |
-4.2 |
0.327 |
7 |
2 |
0 |
0.082 |
| Average: |
499.2 |
-4.1 |
0.343 |
7 |
2 |
0 |
0.082 |
| 6 |
33 |
|
O |
57 |
15 |
9874 |
◊ |
B |
x,y,z |
1_555 |
60 |
13 |
19592 |
495.2 |
-5.5 |
0.375 |
5 |
0 |
0 |
0.159 |
34 |
|
J |
47 |
12 |
9921 |
◊ |
G |
x,y,z |
1_555 |
50 |
11 |
19306 |
442.0 |
-5.0 |
0.332 |
6 |
0 |
0 |
0.159 |
35 |
|
M |
43 |
12 |
9923 |
◊ |
H |
x,y,z |
1_555 |
46 |
10 |
19173 |
414.9 |
-4.8 |
0.321 |
4 |
0 |
0 |
0.159 |
36 |
|
L |
43 |
12 |
9934 |
◊ |
A |
x,y,z |
1_555 |
46 |
10 |
19205 |
414.1 |
-5.1 |
0.308 |
3 |
0 |
0 |
0.159 |
37 |
|
I |
41 |
12 |
9946 |
◊ |
D |
x,y,z |
1_555 |
45 |
10 |
19201 |
407.3 |
-5.1 |
0.289 |
4 |
0 |
0 |
0.159 |
38 |
|
P |
41 |
12 |
9952 |
◊ |
E |
x,y,z |
1_555 |
45 |
10 |
19248 |
403.2 |
-5.4 |
0.276 |
3 |
0 |
0 |
0.159 |
39 |
|
N |
43 |
12 |
9895 |
◊ |
C |
x,y,z |
1_555 |
45 |
10 |
19211 |
398.1 |
-5.3 |
0.281 |
3 |
0 |
0 |
0.159 |
40 |
|
K |
43 |
12 |
9921 |
◊ |
F |
x,y,z |
1_555 |
46 |
10 |
19234 |
396.0 |
-5.4 |
0.277 |
3 |
0 |
0 |
0.159 |
| Average: |
421.3 |
-5.2 |
0.307 |
4 |
0 |
0 |
0.159 |
| 7 |
41 |
|
G |
59 |
18 |
19306 |
◊ |
A |
x,y,z |
1_555 |
51 |
14 |
19205 |
494.3 |
2.4 |
0.796 |
4 |
4 |
0 |
0.000 |
42 |
|
H |
50 |
13 |
19173 |
◊ |
B |
x,y,z |
1_555 |
52 |
18 |
19592 |
493.2 |
2.2 |
0.818 |
4 |
4 |
0 |
0.000 |
43 |
|
E |
49 |
13 |
19248 |
◊ |
C |
x,y,z |
1_555 |
53 |
18 |
19211 |
490.5 |
2.7 |
0.813 |
4 |
4 |
0 |
0.000 |
44 |
|
F |
52 |
18 |
19234 |
◊ |
D |
x,y,z |
1_555 |
48 |
13 |
19201 |
486.2 |
1.8 |
0.787 |
3 |
4 |
0 |
0.000 |
45 |
|
D |
50 |
18 |
19201 |
◊ |
B |
x,y,z |
1_555 |
48 |
13 |
19592 |
483.9 |
2.6 |
0.799 |
4 |
4 |
0 |
0.000 |
46 |
|
H |
52 |
18 |
19173 |
◊ |
F |
x,y,z |
1_555 |
48 |
13 |
19234 |
482.0 |
2.7 |
0.805 |
3 |
4 |
0 |
0.000 |
47 |
|
G |
49 |
13 |
19306 |
◊ |
E |
x,y,z |
1_555 |
50 |
18 |
19248 |
481.7 |
2.0 |
0.789 |
3 |
4 |
0 |
0.000 |
48 |
|
C |
47 |
13 |
19211 |
◊ |
A |
x,y,z |
1_555 |
50 |
18 |
19205 |
481.0 |
2.7 |
0.812 |
5 |
4 |
0 |
0.000 |
| Average: |
486.6 |
2.4 |
0.802 |
4 |
4 |
0 |
0.000 |
| 8 |
49 |
|
I |
43 |
14 |
9946 |
◊ |
L |
-x+1,y-1/2,-z+2 |
2_647 |
39 |
11 |
9934 |
376.9 |
-3.3 |
0.579 |
2 |
0 |
0 |
0.000 |
50 |
|
M |
38 |
11 |
9923 |
◊ |
P |
-x,y-1/2,-z+1 |
2_546 |
36 |
13 |
9952 |
359.1 |
-3.3 |
0.527 |
2 |
0 |
0 |
0.000 |
| Average: |
368.0 |
-3.3 |
0.553 |
2 |
0 |
0 |
0.000 |
| 9 |
51 |
|
H |
40 |
14 |
19173 |
◊ |
L |
-x,y-1/2,-z+1 |
2_546 |
27 |
7 |
9934 |
341.3 |
0.9 |
0.741 |
1 |
4 |
0 |
0.000 |
52 |
|
M |
28 |
7 |
9923 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
40 |
13 |
19205 |
328.0 |
0.8 |
0.728 |
1 |
3 |
0 |
0.000 |
| Average: |
334.7 |
0.9 |
0.734 |
1 |
4 |
0 |
0.000 |
| 10 |
53 |
|
F |
34 |
11 |
19234 |
◊ |
B |
x-1,y,z |
1_455 |
35 |
14 |
19592 |
313.7 |
1.5 |
0.806 |
4 |
7 |
0 |
0.000 |
| 11 |
54 |
|
[CAP]B:1477 |
20 |
1 |
485 |
f |
B |
x,y,z |
1_555 |
51 |
22 |
19592 |
289.2 |
-5.3 |
0.607 |
17 |
0 |
0 |
0.361 |
55 |
|
[CAP]D:1477 |
20 |
1 |
484 |
f |
D |
x,y,z |
1_555 |
49 |
22 |
19201 |
287.8 |
-5.5 |
0.602 |
20 |
0 |
0 |
0.361 |
56 |
|
[CAP]A:1477 |
20 |
1 |
482 |
f |
A |
x,y,z |
1_555 |
52 |
23 |
19205 |
287.3 |
-5.2 |
0.618 |
18 |
0 |
0 |
0.361 |
57 |
|
[CAP]C:1477 |
20 |
1 |
484 |
f |
C |
x,y,z |
1_555 |
50 |
23 |
19211 |
286.8 |
-5.3 |
0.593 |
19 |
0 |
0 |
0.361 |
58 |
|
[CAP]F:1477 |
20 |
1 |
487 |
f |
F |
x,y,z |
1_555 |
50 |
22 |
19234 |
286.4 |
-5.2 |
0.601 |
18 |
0 |
0 |
0.361 |
59 |
|
[CAP]H:1477 |
20 |
1 |
482 |
f |
H |
x,y,z |
1_555 |
52 |
23 |
19173 |
286.1 |
-5.3 |
0.611 |
18 |
0 |
0 |
0.361 |
60 |
|
[CAP]E:1477 |
20 |
1 |
483 |
f |
E |
x,y,z |
1_555 |
52 |
23 |
19248 |
285.9 |
-5.2 |
0.615 |
18 |
0 |
0 |
0.361 |
61 |
|
[CAP]G:1477 |
20 |
1 |
485 |
f |
G |
x,y,z |
1_555 |
51 |
22 |
19306 |
284.2 |
-5.3 |
0.617 |
18 |
0 |
0 |
0.361 |
| Average: |
286.7 |
-5.3 |
0.608 |
18 |
0 |
0 |
0.361 |
| 12 |
62 |
|
E |
19 |
6 |
19248 |
◊ |
C |
-x,y-1/2,-z+2 |
2_547 |
21 |
8 |
19211 |
210.4 |
2.7 |
0.891 |
2 |
2 |
0 |
0.000 |
| 13 |
63 |
|
F |
21 |
7 |
19234 |
◊ |
D |
-x,y-1/2,-z+2 |
2_547 |
21 |
6 |
19201 |
196.6 |
2.1 |
0.819 |
1 |
1 |
0 |
0.000 |
| 14 |
64 |
|
G |
20 |
8 |
19306 |
◊ |
C |
x,y,z-1 |
1_554 |
20 |
7 |
19211 |
186.2 |
-0.3 |
0.545 |
0 |
2 |
0 |
0.000 |
| 15 |
65 |
|
I |
20 |
5 |
9946 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
14 |
4 |
19205 |
183.3 |
-0.8 |
0.514 |
2 |
2 |
0 |
0.000 |
66 |
|
H |
14 |
4 |
19173 |
◊ |
P |
-x,y-1/2,-z+1 |
2_546 |
20 |
5 |
9952 |
173.9 |
-1.0 |
0.467 |
2 |
2 |
0 |
0.000 |
| Average: |
178.6 |
-0.9 |
0.490 |
2 |
2 |
0 |
0.000 |
| 16 |
67 |
|
[EDO]A:1481 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
25 |
14 |
19205 |
135.1 |
3.6 |
0.655 |
2 |
0 |
0 |
0.000 |
| 17 |
68 |
|
[EDO]H:1482 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
26 |
14 |
19173 |
134.3 |
3.6 |
0.656 |
3 |
0 |
0 |
0.000 |
| 18 |
69 |
|
P |
16 |
4 |
9952 |
◊ |
I |
x-1,y,z-1 |
1_454 |
14 |
3 |
9946 |
128.6 |
0.1 |
0.759 |
1 |
2 |
0 |
0.000 |
| 19 |
70 |
|
[EDO]F:1483 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
20 |
13 |
19234 |
123.2 |
3.7 |
0.658 |
2 |
0 |
0 |
0.000 |
| 20 |
71 |
|
H |
12 |
4 |
19173 |
◊ |
N |
-x,y-1/2,-z+1 |
2_546 |
15 |
5 |
9895 |
122.6 |
-0.6 |
0.522 |
1 |
0 |
0 |
0.000 |
72 |
|
K |
13 |
5 |
9921 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
12 |
4 |
19205 |
112.1 |
-0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
| Average: |
117.4 |
-0.4 |
0.566 |
1 |
0 |
0 |
0.000 |
| 21 |
73 |
|
[EDO]D:1478 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
25 |
10 |
19201 |
122.3 |
3.6 |
0.645 |
4 |
0 |
0 |
0.000 |
74 |
|
[EDO]A:1479 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
26 |
10 |
19205 |
108.6 |
3.3 |
0.654 |
4 |
0 |
0 |
0.000 |
75 |
|
[EDO]H:1479 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
23 |
9 |
19173 |
107.8 |
3.3 |
0.647 |
4 |
0 |
0 |
0.000 |
| Average: |
112.9 |
3.4 |
0.649 |
4 |
0 |
0 |
0.000 |
| 22 |
76 |
|
[EDO]E:1482 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
23 |
12 |
19248 |
120.4 |
3.3 |
0.452 |
2 |
0 |
0 |
0.000 |
| 23 |
77 |
|
[EDO]C:1478 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
23 |
11 |
19211 |
117.3 |
3.1 |
0.448 |
3 |
0 |
0 |
0.000 |
78 |
|
[EDO]B:1478 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
25 |
11 |
19592 |
116.2 |
3.1 |
0.463 |
3 |
0 |
0 |
0.000 |
79 |
|
[EDO]E:1478 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
22 |
11 |
19248 |
113.3 |
3.0 |
0.449 |
3 |
0 |
0 |
0.000 |
| Average: |
115.6 |
3.1 |
0.453 |
3 |
0 |
0 |
0.000 |
| 24 |
80 |
|
[EDO]O:1142 |
4 |
1 |
184 |
◊ |
O |
x,y,z |
1_555 |
21 |
9 |
9874 |
116.9 |
3.3 |
0.538 |
3 |
0 |
0 |
0.000 |
| 25 |
81 |
|
[EDO]G:1478 |
4 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
23 |
11 |
19306 |
115.7 |
3.2 |
0.457 |
3 |
0 |
0 |
0.000 |
| 26 |
82 |
|
[EDO]J:1142 |
4 |
1 |
185 |
◊ |
J |
x,y,z |
1_555 |
18 |
9 |
9921 |
115.2 |
3.2 |
0.523 |
1 |
0 |
0 |
0.000 |
| 27 |
83 |
|
[EDO]K:1141 |
4 |
1 |
185 |
◊ |
K |
x,y,z |
1_555 |
20 |
9 |
9921 |
114.7 |
3.4 |
0.516 |
2 |
0 |
0 |
0.000 |
| 28 |
84 |
|
[EDO]H:1478 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
24 |
11 |
19173 |
114.6 |
3.1 |
0.458 |
3 |
0 |
0 |
0.000 |
85 |
|
[EDO]A:1478 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
19205 |
114.5 |
3.1 |
0.462 |
4 |
0 |
0 |
0.000 |
| Average: |
114.5 |
3.1 |
0.460 |
4 |
0 |
0 |
0.000 |
| 29 |
86 |
|
[EDO]F:1480 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
23 |
9 |
19234 |
114.5 |
3.5 |
0.646 |
4 |
0 |
0 |
0.000 |
| 30 |
87 |
|
[EDO]L:1141 |
4 |
1 |
186 |
◊ |
L |
x,y,z |
1_555 |
20 |
8 |
9934 |
112.2 |
3.0 |
0.519 |
2 |
0 |
0 |
0.000 |
| 31 |
88 |
|
[EDO]G:1479 |
4 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
24 |
9 |
19306 |
110.3 |
3.3 |
0.654 |
4 |
0 |
0 |
0.000 |
89 |
|
[EDO]C:1479 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
23 |
9 |
19211 |
109.5 |
3.3 |
0.649 |
4 |
0 |
0 |
0.000 |
| Average: |
109.9 |
3.3 |
0.652 |
4 |
0 |
0 |
0.000 |
| 32 |
90 |
|
[EDO]E:1479 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
23 |
10 |
19248 |
110.0 |
3.2 |
0.654 |
4 |
0 |
0 |
0.000 |
| 33 |
91 |
|
[EDO]G:1481 |
4 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
16 |
12 |
19306 |
109.3 |
3.8 |
0.650 |
2 |
0 |
0 |
0.000 |
| 34 |
92 |
|
[EDO]B:1479 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
19592 |
108.0 |
3.3 |
0.660 |
3 |
0 |
0 |
0.000 |
| 35 |
93 |
|
[EDO]N:1141 |
4 |
1 |
185 |
◊ |
N |
x,y,z |
1_555 |
22 |
10 |
9895 |
108.0 |
2.9 |
0.536 |
2 |
0 |
0 |
0.000 |
| 36 |
94 |
|
[CAP]A:1477 |
14 |
1 |
482 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
19592 |
97.2 |
-0.9 |
0.798 |
3 |
0 |
0 |
0.037 |
95 |
|
[CAP]B:1477 |
14 |
1 |
485 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
19205 |
97.2 |
-0.8 |
0.804 |
3 |
0 |
0 |
0.037 |
96 |
|
[CAP]H:1477 |
14 |
1 |
482 |
◊ |
G |
x,y,z |
1_555 |
13 |
5 |
19306 |
96.9 |
-0.9 |
0.797 |
3 |
0 |
0 |
0.037 |
97 |
|
[CAP]C:1477 |
14 |
1 |
484 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
19201 |
96.8 |
-0.8 |
0.798 |
3 |
0 |
0 |
0.037 |
98 |
|
[CAP]E:1477 |
13 |
1 |
483 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
19234 |
96.4 |
-0.8 |
0.795 |
3 |
0 |
0 |
0.037 |
99 |
|
[CAP]F:1477 |
14 |
1 |
487 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
19248 |
96.3 |
-0.8 |
0.804 |
3 |
0 |
0 |
0.037 |
100 |
|
[CAP]G:1477 |
14 |
1 |
485 |
◊ |
H |
x,y,z |
1_555 |
13 |
5 |
19173 |
95.4 |
-0.8 |
0.803 |
3 |
0 |
0 |
0.037 |
101 |
|
[CAP]D:1477 |
13 |
1 |
484 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
19211 |
95.0 |
-0.8 |
0.792 |
3 |
0 |
0 |
0.037 |
| Average: |
96.4 |
-0.8 |
0.799 |
3 |
0 |
0 |
0.037 |
| 37 |
102 |
|
[EDO]B:1480 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
7 |
19592 |
96.9 |
2.1 |
0.281 |
1 |
0 |
0 |
0.000 |
| 38 |
103 |
|
[EDO]F:1479 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
17 |
9 |
19234 |
95.9 |
3.0 |
0.694 |
4 |
0 |
0 |
0.000 |
| 39 |
104 |
|
[EDO]D:1479 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
14 |
8 |
19201 |
95.3 |
2.3 |
0.343 |
1 |
0 |
0 |
0.000 |
105 |
|
[EDO]A:1480 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
9 |
19205 |
94.8 |
1.8 |
0.306 |
1 |
0 |
0 |
0.000 |
| Average: |
95.1 |
2.1 |
0.324 |
1 |
0 |
0 |
0.000 |
| 40 |
106 |
|
[EDO]H:1480 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
14 |
8 |
19173 |
94.8 |
2.2 |
0.346 |
1 |
0 |
0 |
0.000 |
| 41 |
107 |
|
[EDO]F:1481 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
13 |
7 |
19234 |
93.7 |
2.0 |
0.302 |
1 |
0 |
0 |
0.000 |
| 42 |
108 |
|
[EDO]E:1480 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
12 |
8 |
19248 |
89.8 |
1.3 |
0.190 |
1 |
0 |
0 |
0.000 |
| 43 |
109 |
|
[EDO]B:1481 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
19592 |
88.0 |
2.2 |
0.261 |
2 |
0 |
0 |
0.000 |
| 44 |
110 |
|
[EDO]G:1480 |
4 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
11 |
4 |
19306 |
87.6 |
2.0 |
0.259 |
3 |
0 |
0 |
0.000 |
111 |
|
[EDO]E:1481 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
19248 |
86.2 |
1.9 |
0.260 |
3 |
0 |
0 |
0.000 |
| Average: |
86.9 |
2.0 |
0.259 |
3 |
0 |
0 |
0.000 |
| 45 |
112 |
|
[EDO]H:1481 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
19173 |
86.0 |
2.0 |
0.263 |
3 |
0 |
0 |
0.000 |
| 46 |
113 |
|
[EDO]D:1480 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
19201 |
85.8 |
1.8 |
0.257 |
4 |
0 |
0 |
0.000 |
114 |
|
[EDO]F:1482 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
12 |
4 |
19234 |
84.8 |
1.8 |
0.261 |
4 |
0 |
0 |
0.000 |
| Average: |
85.3 |
1.8 |
0.259 |
4 |
0 |
0 |
0.000 |
| 47 |
115 |
|
[EDO]O:1141 |
4 |
1 |
184 |
◊ |
O |
x,y,z |
1_555 |
11 |
5 |
9874 |
84.8 |
3.0 |
0.327 |
2 |
0 |
0 |
0.000 |
| 48 |
116 |
|
[EDO]J:1141 |
4 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
11 |
5 |
9921 |
83.4 |
3.2 |
0.566 |
1 |
0 |
0 |
0.000 |
| 49 |
117 |
|
[EDO]G:1482 |
4 |
1 |
183 |
f |
G |
x,y,z |
1_555 |
13 |
7 |
19306 |
80.7 |
1.9 |
0.383 |
2 |
0 |
0 |
0.000 |
| 50 |
118 |
|
H |
11 |
4 |
19173 |
◊ |
J |
-x,y-1/2,-z+1 |
2_546 |
7 |
1 |
9921 |
79.8 |
0.2 |
0.588 |
1 |
0 |
0 |
0.000 |
119 |
|
O |
7 |
1 |
9874 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
7 |
3 |
19205 |
54.9 |
-0.9 |
0.413 |
0 |
0 |
0 |
0.000 |
| Average: |
67.4 |
-0.4 |
0.501 |
1 |
0 |
0 |
0.000 |
| 51 |
120 |
|
[EDO]F:1478 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
12 |
6 |
19234 |
77.6 |
1.4 |
0.202 |
1 |
0 |
0 |
0.000 |
| 52 |
121 |
|
[EDO]C:1480 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
19211 |
77.0 |
1.4 |
0.210 |
1 |
0 |
0 |
0.000 |
| 53 |
122 |
|
[EDO]A:1482 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
19205 |
76.0 |
2.0 |
0.373 |
1 |
0 |
0 |
0.000 |
| 54 |
123 |
|
[EDO]F:1478 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
12 |
6 |
19248 |
75.5 |
1.4 |
0.199 |
1 |
0 |
0 |
0.000 |
| 55 |
124 |
|
[EDO]C:1480 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
19201 |
75.4 |
1.5 |
0.196 |
1 |
0 |
0 |
0.000 |
| 56 |
125 |
|
[EDO]A:1482 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
19592 |
74.8 |
1.1 |
0.672 |
3 |
0 |
0 |
0.006 |
| 57 |
126 |
|
E |
6 |
3 |
19248 |
◊ |
D |
-x,y-1/2,-z+2 |
2_547 |
7 |
2 |
19201 |
71.2 |
-1.5 |
0.185 |
0 |
0 |
0 |
0.004 |
| 58 |
127 |
|
[EDO]J:1141 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
10 |
3 |
19173 |
68.8 |
1.1 |
0.539 |
0 |
0 |
0 |
0.000 |
| 59 |
128 |
|
[EDO]O:1141 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
19205 |
68.1 |
1.2 |
0.570 |
0 |
0 |
0 |
0.000 |
| 60 |
129 |
|
[EDO]G:1482 |
4 |
1 |
183 |
◊ |
H |
x,y,z |
1_555 |
8 |
5 |
19173 |
63.3 |
1.5 |
0.708 |
1 |
0 |
0 |
0.000 |
| 61 |
130 |
|
O |
8 |
5 |
9874 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
16 |
8 |
19201 |
56.5 |
0.2 |
0.714 |
0 |
0 |
0 |
0.000 |
131 |
|
E |
13 |
7 |
19248 |
◊ |
J |
-x,y-1/2,-z+1 |
2_546 |
6 |
4 |
9921 |
49.4 |
0.2 |
0.718 |
0 |
0 |
0 |
0.000 |
| Average: |
53.0 |
0.2 |
0.716 |
0 |
0 |
0 |
0.000 |
| 62 |
132 |
|
[EDO]E:1480 |
2 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
5 |
2 |
19234 |
32.3 |
0.5 |
0.348 |
0 |
0 |
0 |
0.000 |
| 63 |
133 |
|
[EDO]F:1479 |
2 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
7 |
2 |
19248 |
32.3 |
0.3 |
0.535 |
0 |
0 |
0 |
0.000 |
| 64 |
134 |
|
[MG]D:1476 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
7 |
19201 |
31.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.141 |
135 |
|
[MG]E:1476 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
10 |
7 |
19248 |
31.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.141 |
136 |
|
[MG]H:1476 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
10 |
7 |
19173 |
31.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.141 |
137 |
|
[MG]C:1476 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
19211 |
31.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.141 |
138 |
|
[MG]A:1476 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
19205 |
31.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.141 |
139 |
|
[MG]F:1476 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
7 |
19234 |
31.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.141 |
140 |
|
[MG]B:1476 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
19592 |
31.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.141 |
141 |
|
[MG]G:1476 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
8 |
7 |
19306 |
30.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.141 |
| Average: |
31.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.141 |
| 65 |
142 |
|
[EDO]E:1479 |
3 |
1 |
186 |
f |
[EDO]E:1478 |
x,y,z |
1_555 |
3 |
1 |
184 |
31.1 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 66 |
143 |
|
[EDO]H:1479 |
4 |
1 |
184 |
f |
[EDO]H:1478 |
x,y,z |
1_555 |
3 |
1 |
186 |
30.8 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 67 |
144 |
|
[EDO]A:1479 |
3 |
1 |
185 |
f |
[EDO]A:1478 |
x,y,z |
1_555 |
3 |
1 |
185 |
29.3 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 68 |
145 |
|
[CAP]B:1477 |
3 |
1 |
485 |
f |
[MG]B:1476 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.091 |
146 |
|
[CAP]C:1477 |
3 |
1 |
484 |
f |
[MG]C:1476 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.091 |
147 |
|
[CAP]A:1477 |
3 |
1 |
482 |
f |
[MG]A:1476 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.091 |
148 |
|
[CAP]E:1477 |
3 |
1 |
483 |
f |
[MG]E:1476 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.091 |
149 |
|
[CAP]D:1477 |
3 |
1 |
484 |
f |
[MG]D:1476 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.091 |
150 |
|
[CAP]H:1477 |
3 |
1 |
482 |
f |
[MG]H:1476 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.091 |
151 |
|
[CAP]F:1477 |
3 |
1 |
487 |
f |
[MG]F:1476 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.091 |
152 |
|
[CAP]G:1477 |
3 |
1 |
485 |
f |
[MG]G:1476 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.091 |
| Average: |
28.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.091 |
| 69 |
153 |
|
[EDO]B:1479 |
3 |
1 |
183 |
f |
[EDO]B:1478 |
x,y,z |
1_555 |
3 |
1 |
184 |
28.6 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 70 |
154 |
|
[EDO]C:1479 |
4 |
1 |
185 |
f |
[EDO]C:1478 |
x,y,z |
1_555 |
3 |
1 |
185 |
27.7 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
155 |
|
[EDO]G:1479 |
2 |
1 |
186 |
f |
[EDO]G:1478 |
x,y,z |
1_555 |
3 |
1 |
185 |
27.4 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| Average: |
27.6 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 71 |
156 |
|
[EDO]A:1480 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
19592 |
26.5 |
0.0 |
0.523 |
0 |
0 |
0 |
0.000 |
157 |
|
[EDO]H:1480 |
3 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
4 |
2 |
19306 |
25.1 |
0.0 |
0.522 |
0 |
0 |
0 |
0.000 |
158 |
|
[EDO]D:1479 |
2 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
19211 |
23.5 |
-0.0 |
0.487 |
0 |
0 |
0 |
0.000 |
| Average: |
25.1 |
0.0 |
0.511 |
0 |
0 |
0 |
0.000 |
| 72 |
159 |
|
[EDO]F:1481 |
3 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
3 |
2 |
19248 |
24.8 |
0.1 |
0.471 |
0 |
0 |
0 |
0.000 |
| 73 |
160 |
|
[EDO]B:1480 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
19205 |
24.3 |
0.1 |
0.531 |
0 |
0 |
0 |
0.000 |
| 74 |
161 |
|
[EDO]F:1482 |
3 |
1 |
185 |
f |
[EDO]E:1480 |
x,y,z |
1_555 |
2 |
1 |
185 |
20.5 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 75 |
162 |
|
K |
2 |
1 |
9921 |
◊ |
N |
-x,y-1/2,-z+2 |
2_547 |
5 |
1 |
9895 |
18.8 |
0.0 |
0.705 |
0 |
0 |
0 |
0.000 |
| 76 |
163 |
|
[EDO]F:1480 |
3 |
1 |
185 |
f |
[EDO]F:1479 |
x,y,z |
1_555 |
2 |
1 |
185 |
17.0 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
| 77 |
164 |
|
H |
2 |
2 |
19173 |
◊ |
A |
x-1,y,z-1 |
1_454 |
3 |
1 |
19205 |
16.7 |
0.8 |
0.872 |
0 |
0 |
0 |
0.000 |
| 78 |
165 |
|
[EDO]B:1481 |
2 |
1 |
186 |
f |
[EDO]A:1480 |
x,y,z |
1_555 |
1 |
1 |
185 |
16.6 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 79 |
166 |
|
[EDO]F:1481 |
1 |
1 |
185 |
f |
[EDO]E:1481 |
x,y,z |
1_555 |
2 |
1 |
186 |
16.4 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 80 |
167 |
|
[EDO]H:1480 |
1 |
1 |
184 |
f |
[EDO]G:1480 |
x,y,z |
1_555 |
2 |
1 |
185 |
14.9 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 81 |
168 |
|
N |
3 |
1 |
9895 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
19592 |
14.1 |
0.3 |
0.777 |
0 |
0 |
0 |
0.000 |
| 82 |
169 |
|
[EDO]L:1141 |
2 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
19205 |
13.8 |
0.4 |
0.929 |
0 |
0 |
0 |
0.000 |
| 83 |
170 |
|
[EDO]O:1142 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
19592 |
13.3 |
0.3 |
0.778 |
0 |
0 |
0 |
0.000 |
| 84 |
171 |
|
[EDO]N:1141 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
19211 |
12.9 |
0.5 |
0.890 |
0 |
0 |
0 |
0.000 |
| 85 |
172 |
|
G |
3 |
1 |
19306 |
◊ |
N |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
9895 |
12.8 |
-0.1 |
0.550 |
0 |
0 |
0 |
0.000 |
173 |
|
K |
2 |
1 |
9921 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
1 |
19592 |
9.5 |
-0.1 |
0.554 |
0 |
0 |
0 |
0.000 |
| Average: |
11.1 |
-0.1 |
0.552 |
0 |
0 |
0 |
0.000 |
| 86 |
174 |
|
[EDO]J:1142 |
1 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
3 |
2 |
19306 |
12.3 |
0.0 |
0.688 |
0 |
0 |
0 |
0.000 |
| 87 |
175 |
|
[MG]G:1476 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
19173 |
11.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.015 |
176 |
|
[MG]H:1476 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
19306 |
11.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.015 |
177 |
|
[MG]B:1476 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
19205 |
11.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.015 |
178 |
|
[MG]C:1476 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
19201 |
11.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.015 |
179 |
|
[MG]A:1476 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
19592 |
11.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.015 |
180 |
|
[MG]D:1476 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19211 |
11.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.015 |
181 |
|
[MG]F:1476 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
19248 |
10.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.015 |
182 |
|
[MG]E:1476 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
19234 |
10.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
11.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.015 |
| 88 |
183 |
|
P |
1 |
1 |
9952 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
19306 |
9.6 |
-0.3 |
0.309 |
0 |
0 |
0 |
0.003 |
184 |
|
L |
1 |
1 |
9934 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
19211 |
9.5 |
-0.3 |
0.309 |
0 |
0 |
0 |
0.003 |
185 |
|
I |
1 |
1 |
9946 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
19592 |
9.3 |
-0.3 |
0.319 |
0 |
0 |
0 |
0.003 |
186 |
|
M |
1 |
1 |
9923 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
19234 |
8.3 |
-0.3 |
0.333 |
0 |
0 |
0 |
0.003 |
187 |
|
K |
1 |
1 |
9921 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
19201 |
7.3 |
-0.2 |
0.359 |
0 |
0 |
0 |
0.003 |
188 |
|
O |
1 |
1 |
9874 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
19173 |
6.3 |
-0.2 |
0.380 |
0 |
0 |
0 |
0.003 |
189 |
|
J |
1 |
1 |
9921 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19205 |
6.3 |
-0.2 |
0.381 |
0 |
0 |
0 |
0.003 |
190 |
|
N |
1 |
1 |
9895 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
19248 |
5.8 |
-0.2 |
0.399 |
0 |
0 |
0 |
0.003 |
| Average: |
7.8 |
-0.2 |
0.349 |
0 |
0 |
0 |
0.003 |
| 89 |
191 |
|
P |
2 |
1 |
9952 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
9934 |
9.0 |
-0.3 |
0.442 |
0 |
0 |
0 |
0.007 |
192 |
|
M |
2 |
1 |
9923 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
9946 |
4.3 |
-0.1 |
0.464 |
0 |
0 |
0 |
0.007 |
193 |
|
O |
1 |
1 |
9874 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
9921 |
3.7 |
-0.1 |
0.414 |
0 |
0 |
0 |
0.007 |
194 |
|
N |
1 |
1 |
9895 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
9921 |
1.6 |
-0.1 |
0.509 |
0 |
0 |
0 |
0.007 |
| Average: |
4.6 |
-0.1 |
0.457 |
0 |
0 |
0 |
0.007 |
| 90 |
195 |
|
[EDO]G:1481 |
1 |
1 |
185 |
f |
[CAP]G:1477 |
x,y,z |
1_555 |
1 |
1 |
485 |
8.4 |
-0.1 |
0.500 |
0 |
0 |
0 |
0.003 |
| 91 |
196 |
|
E |
1 |
1 |
19248 |
◊ |
[EDO]D:1480 |
-x,y-1/2,-z+2 |
2_547 |
1 |
1 |
185 |
6.1 |
0.3 |
0.918 |
0 |
0 |
0 |
0.000 |
| 92 |
197 |
|
[EDO]F:1483 |
2 |
1 |
185 |
f |
[CAP]F:1477 |
x,y,z |
1_555 |
1 |
1 |
487 |
5.2 |
-0.1 |
0.548 |
0 |
0 |
0 |
0.002 |
| 93 |
198 |
|
[EDO]K:1141 |
1 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
19234 |
1.8 |
0.0 |
0.854 |
0 |
0 |
0 |
0.000 |
| 94 |
199 |
|
G |
1 |
1 |
19306 |
◊ |
K |
x,y,z-1 |
1_554 |
1 |
1 |
9921 |
1.6 |
0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
|