| ## |
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 |
|
[5BU]G:6 |
21 |
1 |
448 |
cf |
G |
x,y,z |
1_555 |
25 |
2 |
1782 |
203.9 |
1.1 |
0.804 |
0 |
0 |
0 |
0.000 |
2 |
|
[5BU]C:6 |
21 |
1 |
446 |
cf |
C |
x,y,z |
1_555 |
29 |
2 |
2036 |
197.6 |
1.0 |
0.814 |
0 |
0 |
0 |
0.000 |
3 |
|
[5BU]E:6 |
21 |
1 |
443 |
cf |
E |
x,y,z |
1_555 |
27 |
2 |
2138 |
195.3 |
0.9 |
0.790 |
0 |
0 |
0 |
0.000 |
4 |
|
[5BU]A:6 |
21 |
1 |
445 |
cf |
A |
x,y,z |
1_555 |
26 |
2 |
2117 |
159.5 |
0.7 |
0.820 |
0 |
0 |
0 |
0.000 |
| Average: |
189.1 |
0.9 |
0.807 |
0 |
0 |
0 |
0.000 |
| 2 |
5 |
|
C |
21 |
2 |
2036 |
◊ |
A |
x,y,z |
1_555 |
22 |
2 |
2117 |
144.8 |
-1.6 |
0.771 |
1 |
0 |
0 |
0.000 |
6 |
|
G |
17 |
1 |
1782 |
◊ |
E |
x,y,z |
1_555 |
21 |
2 |
2138 |
141.1 |
0.3 |
0.819 |
1 |
0 |
0 |
0.000 |
| Average: |
142.9 |
-0.6 |
0.795 |
1 |
0 |
0 |
0.000 |
| 3 |
7 |
|
[F7X]B:102 |
15 |
1 |
531 |
cf |
[F7R]B:101 |
x,y,z |
1_555 |
16 |
1 |
474 |
141.0 |
3.7 |
0.634 |
0 |
0 |
0 |
0.000 |
| 4 |
8 |
|
[F7X]D:102 |
16 |
1 |
526 |
cf |
[F7R]D:101 |
x,y,z |
1_555 |
16 |
1 |
484 |
140.3 |
3.5 |
0.577 |
0 |
0 |
0 |
0.000 |
9 |
|
[F7X]H:105 |
15 |
1 |
533 |
cf |
[F7R]H:104 |
x,y,z |
1_555 |
15 |
1 |
491 |
135.3 |
3.1 |
0.546 |
0 |
0 |
0 |
0.000 |
10 |
|
[F7X]F:102 |
16 |
1 |
528 |
cf |
[F7R]F:101 |
x,y,z |
1_555 |
15 |
1 |
489 |
132.1 |
3.2 |
0.555 |
0 |
0 |
0 |
0.000 |
| Average: |
135.9 |
3.3 |
0.560 |
0 |
0 |
0 |
0.000 |
| 5 |
11 |
|
[F7X]H:102 |
16 |
1 |
531 |
cf |
[F7R]H:101 |
x,y,z |
1_555 |
14 |
1 |
494 |
138.4 |
3.9 |
0.596 |
0 |
0 |
0 |
0.000 |
12 |
|
[F7X]F:105 |
15 |
1 |
530 |
cf |
[F7R]F:104 |
x,y,z |
1_555 |
16 |
1 |
487 |
134.8 |
3.2 |
0.557 |
0 |
0 |
0 |
0.000 |
13 |
|
[F7X]B:105 |
15 |
1 |
527 |
cf |
[F7R]B:104 |
x,y,z |
1_555 |
16 |
1 |
485 |
134.6 |
3.2 |
0.562 |
0 |
0 |
0 |
0.000 |
| Average: |
135.9 |
3.4 |
0.572 |
0 |
0 |
0 |
0.000 |
| 6 |
14 |
|
[F7O]H:103 |
15 |
1 |
519 |
cf |
[F7X]H:102 |
x,y,z |
1_555 |
20 |
1 |
531 |
137.8 |
3.5 |
0.512 |
0 |
0 |
0 |
0.000 |
15 |
|
[F7O]B:103 |
16 |
1 |
521 |
cf |
[F7X]B:102 |
x,y,z |
1_555 |
18 |
1 |
531 |
135.8 |
3.6 |
0.523 |
0 |
0 |
0 |
0.000 |
16 |
|
[F7O]D:103 |
16 |
1 |
519 |
cf |
[F7X]D:102 |
x,y,z |
1_555 |
18 |
1 |
526 |
131.6 |
3.4 |
0.489 |
0 |
0 |
0 |
0.000 |
17 |
|
[F7O]F:106 |
15 |
1 |
521 |
cf |
[F7X]F:105 |
x,y,z |
1_555 |
19 |
1 |
530 |
124.9 |
3.0 |
0.517 |
0 |
0 |
0 |
0.000 |
| Average: |
132.5 |
3.4 |
0.510 |
0 |
0 |
0 |
0.000 |
| 7 |
18 |
|
[F7O]D:106 |
15 |
1 |
523 |
cf |
[F7X]D:105 |
x,y,z |
1_555 |
18 |
1 |
529 |
137.1 |
3.7 |
0.521 |
0 |
0 |
0 |
0.000 |
19 |
|
[F7O]F:103 |
15 |
1 |
517 |
cf |
[F7X]F:102 |
x,y,z |
1_555 |
19 |
1 |
528 |
136.3 |
3.6 |
0.503 |
0 |
0 |
0 |
0.000 |
20 |
|
[F7O]H:106 |
15 |
1 |
523 |
cf |
[F7X]H:105 |
x,y,z |
1_555 |
19 |
1 |
533 |
136.0 |
3.7 |
0.522 |
0 |
0 |
0 |
0.000 |
21 |
|
[F7O]B:106 |
14 |
1 |
518 |
cf |
[F7X]B:105 |
x,y,z |
1_555 |
19 |
1 |
527 |
128.3 |
3.6 |
0.532 |
0 |
0 |
0 |
0.000 |
| Average: |
134.4 |
3.6 |
0.520 |
0 |
0 |
0 |
0.000 |
| 8 |
22 |
|
[F7U]D:108 |
16 |
1 |
460 |
cf |
[F7R]D:107 |
x,y,z |
1_555 |
16 |
1 |
487 |
135.7 |
3.3 |
0.349 |
0 |
0 |
0 |
0.000 |
23 |
|
[F7U]H:108 |
14 |
1 |
463 |
cf |
[F7R]H:107 |
x,y,z |
1_555 |
16 |
1 |
486 |
130.8 |
3.4 |
0.374 |
0 |
0 |
0 |
0.000 |
| Average: |
133.3 |
3.4 |
0.362 |
0 |
0 |
0 |
0.000 |
| 9 |
24 |
|
[F7X]D:105 |
16 |
1 |
529 |
cf |
[F7R]D:104 |
x,y,z |
1_555 |
16 |
1 |
484 |
130.8 |
3.0 |
0.548 |
0 |
0 |
0 |
0.000 |
| 10 |
25 |
|
[F7O]D:106 |
17 |
1 |
523 |
cf |
[F7R]D:107 |
x,y,z |
1_555 |
13 |
1 |
487 |
128.1 |
2.8 |
0.502 |
0 |
0 |
0 |
0.000 |
26 |
|
[F7O]H:106 |
15 |
1 |
523 |
cf |
[F7R]H:107 |
x,y,z |
1_555 |
12 |
1 |
486 |
126.8 |
2.8 |
0.522 |
0 |
0 |
0 |
0.000 |
27 |
|
[F7O]B:106 |
18 |
1 |
518 |
cf |
[F7R]B:107 |
x,y,z |
1_555 |
12 |
1 |
486 |
104.6 |
2.3 |
0.499 |
0 |
0 |
0 |
0.000 |
| Average: |
119.9 |
2.6 |
0.508 |
0 |
0 |
0 |
0.000 |
| 11 |
28 |
|
[F7O]H:103 |
15 |
1 |
519 |
cf |
[F7R]H:104 |
x,y,z |
1_555 |
13 |
1 |
491 |
126.5 |
2.8 |
0.517 |
0 |
0 |
0 |
0.000 |
29 |
|
[F7O]F:103 |
17 |
1 |
517 |
cf |
[F7R]F:104 |
x,y,z |
1_555 |
12 |
1 |
487 |
123.6 |
2.6 |
0.482 |
0 |
0 |
0 |
0.000 |
30 |
|
[F7O]B:103 |
15 |
1 |
521 |
cf |
[F7R]B:104 |
x,y,z |
1_555 |
11 |
1 |
485 |
115.8 |
2.4 |
0.501 |
0 |
0 |
0 |
0.000 |
31 |
|
[F7O]F:106 |
16 |
1 |
521 |
cf |
[F7R]F:107 |
x,y,z |
1_555 |
13 |
1 |
485 |
98.2 |
2.0 |
0.519 |
0 |
0 |
0 |
0.000 |
| Average: |
116.0 |
2.4 |
0.505 |
0 |
0 |
0 |
0.000 |
| 12 |
32 |
|
[F7O]D:103 |
17 |
1 |
519 |
cf |
[F7R]D:104 |
x,y,z |
1_555 |
12 |
1 |
484 |
124.5 |
3.0 |
0.505 |
0 |
0 |
0 |
0.000 |
| 13 |
33 |
|
[F7U]F:108 |
14 |
1 |
461 |
cf |
[F7R]F:107 |
x,y,z |
1_555 |
15 |
1 |
485 |
111.0 |
2.8 |
0.414 |
0 |
0 |
0 |
0.000 |
34 |
|
[F7U]B:108 |
15 |
1 |
457 |
cf |
[F7R]B:107 |
x,y,z |
1_555 |
16 |
1 |
486 |
103.3 |
2.6 |
0.350 |
0 |
0 |
0 |
0.000 |
| Average: |
107.1 |
2.7 |
0.382 |
0 |
0 |
0 |
0.000 |
| 14 |
35 |
|
[F7O]B:103 |
11 |
1 |
521 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
2117 |
103.7 |
1.2 |
0.644 |
1 |
0 |
0 |
0.000 |
36 |
|
[F7O]D:103 |
11 |
1 |
519 |
◊ |
C |
x,y,z |
1_555 |
15 |
3 |
2036 |
96.7 |
1.0 |
0.613 |
1 |
0 |
0 |
0.000 |
37 |
|
[F7O]F:103 |
11 |
1 |
517 |
◊ |
E |
x,y,z |
1_555 |
13 |
2 |
2138 |
96.1 |
0.8 |
0.575 |
1 |
0 |
0 |
0.000 |
38 |
|
[F7O]H:103 |
11 |
1 |
519 |
◊ |
G |
x,y,z |
1_555 |
14 |
3 |
1782 |
95.9 |
1.0 |
0.637 |
1 |
0 |
0 |
0.000 |
| Average: |
98.1 |
1.0 |
0.617 |
1 |
0 |
0 |
0.000 |
| 15 |
39 |
|
[F7U]B:108 |
13 |
1 |
457 |
◊ |
G |
-x+1,y-1/2,-z+2 |
2_647 |
15 |
3 |
1782 |
99.6 |
-1.0 |
0.295 |
0 |
0 |
0 |
0.000 |
| 16 |
40 |
|
A |
14 |
1 |
2117 |
◊ |
C |
x-1,y,z-1 |
1_454 |
13 |
1 |
2036 |
93.8 |
1.7 |
0.851 |
0 |
0 |
0 |
0.000 |
41 |
|
E |
15 |
1 |
2138 |
◊ |
G |
x,y-1,z |
1_545 |
13 |
1 |
1782 |
89.3 |
1.7 |
0.848 |
0 |
0 |
0 |
0.000 |
| Average: |
91.5 |
1.7 |
0.849 |
0 |
0 |
0 |
0.000 |
| 17 |
42 |
|
[F7O]F:106 |
11 |
1 |
521 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
2117 |
92.6 |
-1.9 |
0.401 |
2 |
0 |
0 |
0.000 |
| 18 |
43 |
|
[F7X]D:102 |
9 |
1 |
526 |
◊ |
C |
x,y,z |
1_555 |
13 |
3 |
2036 |
90.6 |
0.0 |
0.596 |
3 |
0 |
0 |
0.000 |
44 |
|
[F7X]H:102 |
8 |
1 |
531 |
◊ |
G |
x,y,z |
1_555 |
12 |
3 |
1782 |
86.2 |
0.2 |
0.613 |
3 |
0 |
0 |
0.000 |
45 |
|
[F7X]F:102 |
8 |
1 |
528 |
◊ |
E |
x,y,z |
1_555 |
10 |
2 |
2138 |
85.6 |
0.5 |
0.593 |
3 |
0 |
0 |
0.000 |
46 |
|
[F7X]B:102 |
9 |
1 |
531 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
2117 |
83.2 |
0.4 |
0.629 |
3 |
0 |
0 |
0.000 |
| Average: |
86.4 |
0.3 |
0.608 |
3 |
0 |
0 |
0.000 |
| 19 |
47 |
|
[F7R]F:101 |
9 |
1 |
489 |
◊ |
[F7R]H:101 |
x,y-1,z |
1_545 |
10 |
1 |
494 |
89.9 |
0.7 |
0.461 |
2 |
0 |
0 |
0.000 |
| 20 |
48 |
|
[F7R]B:101 |
10 |
1 |
474 |
◊ |
[F7R]D:101 |
x-1,y,z-1 |
1_454 |
9 |
1 |
484 |
88.7 |
1.4 |
0.551 |
1 |
0 |
0 |
0.000 |
| 21 |
49 |
|
[F7U]H:108 |
13 |
1 |
463 |
◊ |
[5BU]E:6 |
x,y,z |
1_555 |
13 |
1 |
443 |
81.4 |
0.7 |
0.331 |
0 |
0 |
0 |
0.000 |
50 |
|
[F7U]F:108 |
13 |
1 |
461 |
◊ |
[5BU]G:6 |
x,y,z |
1_555 |
11 |
1 |
448 |
81.4 |
0.4 |
0.314 |
0 |
0 |
0 |
0.000 |
51 |
|
[F7U]D:108 |
12 |
1 |
460 |
◊ |
[5BU]A:6 |
x,y,z |
1_555 |
13 |
1 |
445 |
78.5 |
1.0 |
0.379 |
0 |
0 |
0 |
0.000 |
52 |
|
[F7U]B:108 |
12 |
1 |
457 |
◊ |
[5BU]C:6 |
x,y,z |
1_555 |
12 |
1 |
446 |
77.6 |
0.7 |
0.332 |
0 |
0 |
0 |
0.000 |
| Average: |
79.7 |
0.7 |
0.339 |
0 |
0 |
0 |
0.000 |
| 22 |
53 |
|
[F7R]B:107 |
10 |
1 |
486 |
◊ |
G |
-x+1,y-1/2,-z+2 |
2_647 |
13 |
3 |
1782 |
77.1 |
-0.5 |
0.595 |
0 |
0 |
0 |
0.000 |
| 23 |
54 |
|
[F7R]F:107 |
8 |
1 |
485 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
2117 |
72.1 |
-1.5 |
0.415 |
0 |
0 |
0 |
0.000 |
| 24 |
55 |
|
[F7O]H:106 |
10 |
1 |
523 |
◊ |
G |
x,y,z |
1_555 |
12 |
2 |
1782 |
70.7 |
1.6 |
0.638 |
0 |
0 |
0 |
0.000 |
56 |
|
[F7O]F:106 |
10 |
1 |
521 |
◊ |
E |
x,y,z |
1_555 |
12 |
1 |
2138 |
63.9 |
1.3 |
0.632 |
0 |
0 |
0 |
0.000 |
| Average: |
67.3 |
1.4 |
0.635 |
0 |
0 |
0 |
0.000 |
| 25 |
57 |
|
[F7X]F:105 |
8 |
1 |
530 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
2117 |
70.5 |
-0.8 |
0.487 |
0 |
0 |
0 |
0.000 |
| 26 |
58 |
|
[F7R]H:104 |
6 |
1 |
491 |
◊ |
G |
x,y,z |
1_555 |
8 |
2 |
1782 |
70.1 |
0.3 |
0.592 |
3 |
0 |
0 |
0.000 |
| 27 |
59 |
|
A |
10 |
3 |
2117 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
1 |
2138 |
69.7 |
0.9 |
0.780 |
0 |
0 |
0 |
0.000 |
60 |
|
E |
8 |
2 |
2138 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
7 |
1 |
2117 |
61.3 |
1.2 |
0.751 |
1 |
0 |
0 |
0.000 |
| Average: |
65.5 |
1.1 |
0.766 |
1 |
0 |
0 |
0.000 |
| 28 |
61 |
|
[F7R]F:104 |
6 |
1 |
487 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
2138 |
67.5 |
0.2 |
0.560 |
3 |
0 |
0 |
0.000 |
62 |
|
[F7R]B:104 |
5 |
1 |
485 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
2117 |
64.8 |
0.2 |
0.589 |
3 |
0 |
0 |
0.000 |
| Average: |
66.2 |
0.2 |
0.574 |
3 |
0 |
0 |
0.000 |
| 29 |
63 |
|
[F7R]D:101 |
6 |
1 |
484 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
2036 |
67.3 |
-0.7 |
0.531 |
4 |
0 |
0 |
0.000 |
64 |
|
[F7R]F:101 |
6 |
1 |
489 |
◊ |
E |
x,y,z |
1_555 |
8 |
2 |
2138 |
65.3 |
-0.3 |
0.531 |
2 |
0 |
0 |
0.000 |
| Average: |
66.3 |
-0.5 |
0.531 |
3 |
0 |
0 |
0.000 |
| 30 |
65 |
|
[F7R]D:104 |
6 |
1 |
484 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
2036 |
67.1 |
0.1 |
0.578 |
3 |
0 |
0 |
0.000 |
| 31 |
66 |
|
A |
9 |
2 |
2117 |
◊ |
[F7O]D:103 |
-x+1,y-1/2,-z+2 |
2_647 |
7 |
1 |
519 |
64.9 |
0.1 |
0.499 |
0 |
0 |
0 |
0.000 |
| 32 |
67 |
|
[F7U]H:108 |
8 |
1 |
463 |
f |
G |
-x+2,y-1/2,-z+2 |
2_747 |
8 |
1 |
1782 |
64.8 |
-0.7 |
0.249 |
1 |
0 |
0 |
0.000 |
| 33 |
68 |
|
[F7O]D:106 |
10 |
1 |
523 |
◊ |
C |
x,y,z |
1_555 |
11 |
2 |
2036 |
64.3 |
1.4 |
0.613 |
0 |
0 |
0 |
0.000 |
69 |
|
[F7O]B:106 |
10 |
1 |
518 |
◊ |
A |
x,y,z |
1_555 |
12 |
1 |
2117 |
59.8 |
1.3 |
0.618 |
0 |
0 |
0 |
0.000 |
| Average: |
62.1 |
1.4 |
0.616 |
0 |
0 |
0 |
0.000 |
| 34 |
70 |
|
[F7X]H:105 |
9 |
1 |
533 |
◊ |
[5BU]G:6 |
x,y,z |
1_555 |
11 |
1 |
448 |
63.7 |
2.0 |
0.622 |
0 |
0 |
0 |
0.000 |
71 |
|
[F7X]D:105 |
9 |
1 |
529 |
◊ |
[5BU]C:6 |
x,y,z |
1_555 |
11 |
1 |
446 |
60.8 |
1.9 |
0.622 |
0 |
0 |
0 |
0.000 |
| Average: |
62.3 |
1.9 |
0.622 |
0 |
0 |
0 |
0.000 |
| 35 |
72 |
|
[F7X]F:105 |
9 |
1 |
530 |
◊ |
[5BU]E:6 |
x,y,z |
1_555 |
10 |
1 |
443 |
63.4 |
1.9 |
0.629 |
0 |
0 |
0 |
0.000 |
73 |
|
[F7X]B:105 |
8 |
1 |
527 |
◊ |
[5BU]A:6 |
x,y,z |
1_555 |
10 |
1 |
445 |
52.9 |
1.6 |
0.627 |
0 |
0 |
0 |
0.000 |
| Average: |
58.2 |
1.7 |
0.628 |
0 |
0 |
0 |
0.000 |
| 36 |
74 |
|
[F7R]B:107 |
9 |
1 |
486 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
2036 |
63.3 |
0.5 |
0.615 |
0 |
0 |
0 |
0.000 |
75 |
|
[F7R]F:107 |
8 |
1 |
485 |
◊ |
G |
x,y,z |
1_555 |
6 |
1 |
1782 |
46.1 |
-0.8 |
0.483 |
0 |
0 |
0 |
0.000 |
| Average: |
54.7 |
-0.1 |
0.549 |
0 |
0 |
0 |
0.000 |
| 37 |
76 |
|
[F7R]H:107 |
8 |
1 |
486 |
◊ |
E |
x,y,z |
1_555 |
9 |
2 |
2138 |
61.8 |
-0.9 |
0.461 |
0 |
0 |
0 |
0.000 |
77 |
|
[F7R]D:107 |
8 |
1 |
487 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
2117 |
53.1 |
-0.4 |
0.471 |
0 |
0 |
0 |
0.000 |
| Average: |
57.4 |
-0.6 |
0.466 |
0 |
0 |
0 |
0.000 |
| 38 |
78 |
|
C |
7 |
1 |
2036 |
◊ |
[F7O]D:103 |
-x+2,y-1/2,-z+3 |
2_748 |
6 |
1 |
519 |
61.0 |
-0.5 |
0.398 |
0 |
0 |
0 |
0.000 |
| 39 |
79 |
|
[F7R]B:101 |
6 |
1 |
474 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
2117 |
60.4 |
-0.2 |
0.574 |
4 |
0 |
0 |
0.000 |
| 40 |
80 |
|
[F7R]H:101 |
6 |
1 |
494 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
1782 |
60.0 |
-0.5 |
0.541 |
3 |
0 |
0 |
0.000 |
| 41 |
81 |
|
[F7R]B:107 |
7 |
1 |
486 |
f |
[F7R]H:101 |
-x+1,y-1/2,-z+2 |
2_647 |
8 |
1 |
494 |
59.8 |
-1.5 |
0.250 |
1 |
0 |
0 |
0.000 |
| 42 |
82 |
|
[F7X]H:105 |
5 |
1 |
533 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
1782 |
57.3 |
-0.2 |
0.524 |
3 |
0 |
0 |
0.000 |
83 |
|
[F7X]D:105 |
6 |
1 |
529 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
2036 |
56.5 |
-0.3 |
0.525 |
3 |
0 |
0 |
0.000 |
| Average: |
56.9 |
-0.2 |
0.524 |
3 |
0 |
0 |
0.000 |
| 43 |
84 |
|
[F7R]F:107 |
10 |
1 |
485 |
f |
[5BU]A:6 |
x,y,z |
1_555 |
10 |
1 |
445 |
55.8 |
-0.1 |
0.504 |
0 |
0 |
0 |
0.000 |
| 44 |
85 |
|
[F7X]F:105 |
6 |
1 |
530 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
2138 |
55.8 |
-0.2 |
0.522 |
3 |
0 |
0 |
0.000 |
86 |
|
[F7X]B:105 |
5 |
1 |
527 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
2117 |
54.3 |
-0.1 |
0.518 |
3 |
0 |
0 |
0.000 |
| Average: |
55.0 |
-0.1 |
0.520 |
3 |
0 |
0 |
0.000 |
| 45 |
87 |
|
[F7X]D:105 |
5 |
1 |
529 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
2117 |
55.6 |
1.3 |
0.603 |
1 |
0 |
0 |
0.000 |
88 |
|
[F7X]H:105 |
8 |
1 |
533 |
◊ |
E |
x,y,z |
1_555 |
7 |
1 |
2138 |
53.4 |
1.0 |
0.549 |
1 |
0 |
0 |
0.000 |
| Average: |
54.5 |
1.1 |
0.576 |
1 |
0 |
0 |
0.000 |
| 46 |
89 |
|
[F7U]H:108 |
5 |
1 |
463 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
2138 |
55.1 |
-1.2 |
0.311 |
1 |
0 |
0 |
0.000 |
90 |
|
[F7U]F:108 |
4 |
1 |
461 |
◊ |
G |
x,y,z |
1_555 |
5 |
1 |
1782 |
52.6 |
-1.3 |
0.326 |
1 |
0 |
0 |
0.000 |
91 |
|
[F7U]D:108 |
4 |
1 |
460 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
2117 |
47.8 |
-0.9 |
0.317 |
1 |
0 |
0 |
0.000 |
92 |
|
[F7U]B:108 |
4 |
1 |
457 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
2036 |
44.8 |
-0.9 |
0.315 |
1 |
0 |
0 |
0.000 |
| Average: |
50.1 |
-1.1 |
0.317 |
1 |
0 |
0 |
0.000 |
| 47 |
93 |
|
[F7R]H:107 |
4 |
1 |
486 |
◊ |
G |
x,y,z |
1_555 |
4 |
1 |
1782 |
53.5 |
-0.2 |
0.503 |
3 |
0 |
0 |
0.000 |
| 48 |
94 |
|
[F7O]D:106 |
3 |
1 |
523 |
◊ |
[5BU]C:6 |
x,y,z |
1_555 |
5 |
1 |
446 |
53.3 |
1.1 |
0.593 |
1 |
0 |
0 |
0.000 |
95 |
|
[F7O]H:106 |
4 |
1 |
523 |
◊ |
[5BU]G:6 |
x,y,z |
1_555 |
5 |
1 |
448 |
52.5 |
0.9 |
0.568 |
1 |
0 |
0 |
0.000 |
96 |
|
[F7O]F:106 |
3 |
1 |
521 |
◊ |
[5BU]E:6 |
x,y,z |
1_555 |
5 |
1 |
443 |
47.8 |
0.8 |
0.597 |
1 |
0 |
0 |
0.000 |
| Average: |
51.2 |
0.9 |
0.586 |
1 |
0 |
0 |
0.000 |
| 49 |
97 |
|
[F7O]B:106 |
5 |
1 |
518 |
◊ |
C |
x,y,z |
1_555 |
6 |
1 |
2036 |
52.8 |
-1.3 |
0.375 |
1 |
0 |
0 |
0.000 |
98 |
|
[F7O]H:106 |
6 |
1 |
523 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
2138 |
36.2 |
-0.4 |
0.464 |
0 |
0 |
0 |
0.000 |
99 |
|
[F7O]D:106 |
5 |
1 |
523 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
2117 |
31.3 |
-0.3 |
0.498 |
0 |
0 |
0 |
0.000 |
| Average: |
40.1 |
-0.7 |
0.446 |
0 |
0 |
0 |
0.000 |
| 50 |
100 |
|
A |
8 |
2 |
2117 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
10 |
2 |
2036 |
51.9 |
-2.6 |
0.489 |
1 |
0 |
0 |
0.000 |
| 51 |
101 |
|
[F7U]F:108 |
10 |
1 |
461 |
f |
A |
x,y,z |
1_555 |
7 |
1 |
2117 |
50.9 |
0.5 |
0.315 |
0 |
0 |
0 |
0.000 |
| 52 |
102 |
|
[F7O]B:106 |
6 |
1 |
518 |
◊ |
G |
-x+1,y-1/2,-z+2 |
2_647 |
9 |
3 |
1782 |
50.8 |
-0.0 |
0.544 |
0 |
0 |
0 |
0.000 |
| 53 |
103 |
|
C |
4 |
1 |
2036 |
◊ |
[F7X]D:102 |
-x+2,y-1/2,-z+3 |
2_748 |
3 |
1 |
526 |
48.4 |
-1.4 |
0.279 |
0 |
0 |
0 |
0.000 |
| 54 |
104 |
|
[F7R]D:107 |
4 |
1 |
487 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
2036 |
47.6 |
-0.1 |
0.494 |
3 |
0 |
0 |
0.000 |
| 55 |
105 |
|
[F7R]F:107 |
4 |
1 |
485 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
2138 |
45.4 |
-0.3 |
0.506 |
3 |
0 |
0 |
0.000 |
106 |
|
[F7R]B:107 |
4 |
1 |
486 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
2117 |
41.5 |
-0.1 |
0.526 |
3 |
0 |
0 |
0.000 |
| Average: |
43.5 |
-0.2 |
0.516 |
3 |
0 |
0 |
0.000 |
| 56 |
107 |
|
[F7R]B:101 |
4 |
1 |
474 |
◊ |
[F7X]D:102 |
x-1,y,z-1 |
1_454 |
5 |
1 |
526 |
44.5 |
0.5 |
0.472 |
1 |
0 |
0 |
0.000 |
| 57 |
108 |
|
E |
5 |
1 |
2138 |
◊ |
[F7U]H:108 |
-x+2,y-1/2,-z+2 |
2_747 |
7 |
1 |
463 |
42.0 |
0.0 |
0.314 |
0 |
0 |
0 |
0.000 |
| 58 |
109 |
|
[F7O]B:106 |
3 |
1 |
518 |
◊ |
[5BU]A:6 |
x,y,z |
1_555 |
5 |
1 |
445 |
41.7 |
0.8 |
0.572 |
1 |
0 |
0 |
0.000 |
| 59 |
110 |
|
[F7R]B:107 |
4 |
1 |
486 |
f |
[F7X]H:102 |
-x+1,y-1/2,-z+2 |
2_647 |
6 |
1 |
531 |
41.5 |
-0.1 |
0.327 |
1 |
0 |
0 |
0.000 |
| 60 |
111 |
|
[F7X]B:102 |
8 |
1 |
531 |
◊ |
[F7R]D:101 |
x-1,y,z-1 |
1_454 |
7 |
1 |
484 |
40.6 |
0.3 |
0.435 |
0 |
0 |
0 |
0.000 |
| 61 |
112 |
|
[F7U]F:108 |
8 |
1 |
461 |
f |
[5BU]A:6 |
x,y,z |
1_555 |
5 |
1 |
445 |
38.8 |
-1.5 |
0.161 |
0 |
0 |
0 |
0.000 |
| 62 |
113 |
|
[F7O]F:106 |
6 |
1 |
521 |
f |
[5BU]A:6 |
x,y,z |
1_555 |
6 |
1 |
445 |
34.2 |
0.5 |
0.530 |
0 |
0 |
0 |
0.000 |
| 63 |
114 |
|
[5BU]E:6 |
6 |
1 |
443 |
◊ |
C |
x,y,z-1 |
1_554 |
4 |
1 |
2036 |
34.2 |
-0.8 |
0.503 |
0 |
0 |
0 |
0.000 |
| 64 |
115 |
|
[F7U]D:108 |
6 |
1 |
460 |
◊ |
[F7O]B:106 |
x,y,z |
1_555 |
4 |
1 |
518 |
33.2 |
1.0 |
0.371 |
1 |
0 |
0 |
0.000 |
116 |
|
[F7U]F:108 |
6 |
1 |
461 |
◊ |
[F7O]H:106 |
x,y,z |
1_555 |
6 |
1 |
523 |
32.5 |
1.0 |
0.363 |
1 |
0 |
0 |
0.000 |
117 |
|
[F7U]B:108 |
6 |
1 |
457 |
◊ |
[F7O]D:106 |
x,y,z |
1_555 |
6 |
1 |
523 |
31.3 |
1.0 |
0.343 |
1 |
0 |
0 |
0.000 |
| Average: |
32.3 |
1.0 |
0.359 |
1 |
0 |
0 |
0.000 |
| 65 |
118 |
|
[F7U]H:108 |
6 |
1 |
463 |
◊ |
[F7O]F:106 |
x,y,z |
1_555 |
6 |
1 |
521 |
33.1 |
1.0 |
0.369 |
1 |
0 |
0 |
0.000 |
| 66 |
119 |
|
[F7R]F:107 |
4 |
1 |
485 |
◊ |
[F7R]B:104 |
x,y,z |
1_555 |
6 |
1 |
485 |
32.7 |
-1.0 |
0.286 |
0 |
0 |
0 |
0.000 |
| 67 |
120 |
|
[F7X]B:105 |
4 |
1 |
527 |
◊ |
[F7R]F:107 |
x,y,z |
1_555 |
3 |
1 |
485 |
32.4 |
0.1 |
0.410 |
1 |
0 |
0 |
0.000 |
| 68 |
121 |
|
[F7U]B:108 |
4 |
1 |
457 |
f |
[F7X]H:102 |
-x+1,y-1/2,-z+2 |
2_647 |
5 |
1 |
531 |
31.9 |
1.0 |
0.454 |
0 |
0 |
0 |
0.000 |
| 69 |
122 |
|
[F7R]H:104 |
3 |
1 |
491 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
2138 |
31.0 |
-0.6 |
0.429 |
0 |
0 |
0 |
0.000 |
| 70 |
123 |
|
[F7R]D:104 |
2 |
1 |
484 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
2117 |
30.8 |
-0.9 |
0.389 |
0 |
0 |
0 |
0.000 |
| 71 |
124 |
|
[F7R]F:101 |
6 |
1 |
489 |
◊ |
[F7X]H:102 |
x,y-1,z |
1_545 |
5 |
1 |
531 |
30.5 |
-1.0 |
0.337 |
0 |
0 |
0 |
0.000 |
| 72 |
125 |
|
E |
4 |
1 |
2138 |
◊ |
[F7R]H:101 |
x,y-1,z |
1_545 |
5 |
1 |
494 |
30.3 |
-0.7 |
0.440 |
0 |
0 |
0 |
0.000 |
| 73 |
126 |
|
A |
5 |
1 |
2117 |
◊ |
[F7R]D:101 |
x-1,y,z-1 |
1_454 |
3 |
1 |
484 |
30.1 |
-0.1 |
0.505 |
0 |
0 |
0 |
0.000 |
127 |
|
[F7R]F:101 |
5 |
1 |
489 |
◊ |
G |
x,y-1,z |
1_545 |
4 |
1 |
1782 |
18.9 |
0.0 |
0.524 |
0 |
0 |
0 |
0.000 |
| Average: |
24.5 |
-0.0 |
0.515 |
0 |
0 |
0 |
0.000 |
| 74 |
128 |
|
E |
6 |
2 |
2138 |
◊ |
[F7R]H:107 |
-x+2,y-1/2,-z+2 |
2_747 |
4 |
1 |
486 |
29.1 |
0.7 |
0.608 |
0 |
0 |
0 |
0.000 |
| 75 |
129 |
|
[F7O]F:106 |
3 |
1 |
521 |
◊ |
[F7O]B:103 |
x,y,z |
1_555 |
5 |
1 |
521 |
28.5 |
-1.1 |
0.257 |
0 |
0 |
0 |
0.000 |
| 76 |
130 |
|
A |
4 |
2 |
2117 |
◊ |
[F7R]D:104 |
-x+1,y-1/2,-z+2 |
2_647 |
5 |
1 |
484 |
27.2 |
0.7 |
0.588 |
0 |
0 |
0 |
0.000 |
| 77 |
131 |
|
E |
4 |
2 |
2138 |
◊ |
[F7X]D:105 |
-x+2,y-1/2,-z+2 |
2_747 |
3 |
1 |
529 |
26.1 |
-1.9 |
0.298 |
0 |
0 |
0 |
0.000 |
| 78 |
132 |
|
[F7U]F:108 |
3 |
1 |
461 |
◊ |
[F7R]H:107 |
x,y,z |
1_555 |
1 |
1 |
486 |
25.9 |
0.3 |
0.335 |
1 |
0 |
0 |
0.000 |
| 79 |
133 |
|
E |
5 |
2 |
2138 |
◊ |
C |
x,y,z-1 |
1_554 |
7 |
3 |
2036 |
25.8 |
-1.6 |
0.495 |
0 |
0 |
0 |
0.000 |
| 80 |
134 |
|
A |
4 |
1 |
2117 |
◊ |
[F7X]D:102 |
-x+1,y-1/2,-z+2 |
2_647 |
2 |
1 |
526 |
25.5 |
-1.1 |
0.341 |
0 |
0 |
0 |
0.000 |
| 81 |
135 |
|
[F7R]B:101 |
5 |
1 |
474 |
◊ |
C |
x-1,y,z-1 |
1_454 |
4 |
1 |
2036 |
25.0 |
-0.2 |
0.523 |
0 |
0 |
0 |
0.000 |
| 82 |
136 |
|
[F7U]B:108 |
3 |
1 |
457 |
◊ |
[F7R]D:107 |
x,y,z |
1_555 |
1 |
1 |
487 |
24.8 |
0.2 |
0.337 |
1 |
0 |
0 |
0.000 |
137 |
|
[F7U]D:108 |
3 |
1 |
460 |
◊ |
[F7R]B:107 |
x,y,z |
1_555 |
1 |
1 |
486 |
23.8 |
0.3 |
0.345 |
1 |
0 |
0 |
0.000 |
138 |
|
[F7U]H:108 |
3 |
1 |
463 |
◊ |
[F7R]F:107 |
x,y,z |
1_555 |
1 |
1 |
485 |
22.5 |
0.3 |
0.363 |
1 |
0 |
0 |
0.000 |
| Average: |
23.7 |
0.3 |
0.348 |
1 |
0 |
0 |
0.000 |
| 83 |
139 |
|
[F7X]F:105 |
2 |
1 |
530 |
f |
[5BU]A:6 |
x,y,z |
1_555 |
3 |
1 |
445 |
23.5 |
0.0 |
0.460 |
0 |
0 |
0 |
0.000 |
| 84 |
140 |
|
[5BU]E:6 |
2 |
1 |
443 |
◊ |
[F7R]D:101 |
x,y,z-1 |
1_554 |
5 |
1 |
484 |
22.9 |
-0.6 |
0.364 |
1 |
0 |
0 |
0.000 |
| 85 |
141 |
|
[F7O]B:106 |
3 |
1 |
518 |
f |
[F7R]H:101 |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
1 |
494 |
22.9 |
0.3 |
0.395 |
0 |
0 |
0 |
0.000 |
| 86 |
142 |
|
[F7U]B:108 |
2 |
1 |
457 |
f |
[F7O]H:103 |
-x+1,y-1/2,-z+2 |
2_647 |
2 |
1 |
519 |
21.8 |
1.2 |
0.633 |
0 |
0 |
0 |
0.000 |
| 87 |
143 |
|
[F7R]H:107 |
4 |
1 |
486 |
◊ |
[F7R]F:107 |
x,y,z |
1_555 |
4 |
1 |
485 |
21.5 |
0.2 |
0.452 |
0 |
0 |
0 |
0.000 |
144 |
|
[F7R]D:107 |
3 |
1 |
487 |
◊ |
[F7R]B:107 |
x,y,z |
1_555 |
4 |
1 |
486 |
20.5 |
0.2 |
0.442 |
0 |
0 |
0 |
0.000 |
| Average: |
21.0 |
0.2 |
0.447 |
0 |
0 |
0 |
0.000 |
| 88 |
145 |
|
E |
3 |
1 |
2138 |
◊ |
[F7R]D:101 |
x,y,z-1 |
1_554 |
2 |
1 |
484 |
21.5 |
0.5 |
0.577 |
0 |
0 |
0 |
0.000 |
| 89 |
146 |
|
[F7X]B:105 |
2 |
1 |
527 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
2036 |
20.7 |
-1.8 |
0.257 |
0 |
0 |
0 |
0.000 |
| 90 |
147 |
|
[F7R]H:107 |
1 |
1 |
486 |
f |
[F7R]D:101 |
x,y,z-1 |
1_554 |
4 |
1 |
484 |
19.6 |
-1.8 |
0.216 |
0 |
0 |
0 |
0.000 |
| 91 |
148 |
|
[CA]B:201 |
1 |
1 |
85 |
f |
G |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
2 |
1782 |
19.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 92 |
149 |
|
[F7X]B:105 |
2 |
1 |
527 |
◊ |
G |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
2 |
1782 |
18.3 |
0.0 |
0.516 |
0 |
0 |
0 |
0.000 |
| 93 |
150 |
|
[F7R]F:101 |
3 |
1 |
489 |
◊ |
[F7X]D:105 |
-x+2,y-1/2,-z+2 |
2_747 |
2 |
1 |
529 |
17.3 |
-0.1 |
0.363 |
0 |
0 |
0 |
0.000 |
| 94 |
151 |
|
[F7R]B:101 |
4 |
1 |
474 |
◊ |
[F7X]H:105 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
533 |
16.7 |
-1.0 |
0.239 |
0 |
0 |
0 |
0.000 |
| 95 |
152 |
|
[F7U]F:108 |
3 |
1 |
461 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
2138 |
16.3 |
0.1 |
0.423 |
0 |
0 |
0 |
0.000 |
153 |
|
[F7U]D:108 |
4 |
1 |
460 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
2036 |
16.0 |
0.2 |
0.421 |
0 |
0 |
0 |
0.000 |
154 |
|
[F7U]B:108 |
3 |
1 |
457 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
2117 |
11.7 |
0.2 |
0.433 |
0 |
0 |
0 |
0.000 |
| Average: |
14.7 |
0.2 |
0.426 |
0 |
0 |
0 |
0.000 |
| 96 |
155 |
|
[F7U]H:108 |
3 |
1 |
463 |
◊ |
G |
x,y,z |
1_555 |
5 |
1 |
1782 |
15.8 |
0.2 |
0.441 |
0 |
0 |
0 |
0.000 |
| 97 |
156 |
|
[CA]B:201 |
1 |
1 |
85 |
◊ |
[F7O]B:106 |
x,y,z |
1_555 |
2 |
1 |
518 |
15.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 98 |
157 |
|
[F7U]F:108 |
1 |
1 |
461 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
2036 |
15.2 |
0.1 |
0.322 |
0 |
0 |
0 |
0.000 |
| 99 |
158 |
|
[F7U]F:108 |
1 |
1 |
461 |
◊ |
[F7X]B:105 |
x,y,z |
1_555 |
2 |
1 |
527 |
14.9 |
0.3 |
0.456 |
0 |
0 |
0 |
0.000 |
| 100 |
159 |
|
[F7R]F:104 |
1 |
1 |
487 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
2138 |
12.9 |
-1.4 |
0.229 |
0 |
0 |
0 |
0.000 |
| 101 |
160 |
|
[CA]B:201 |
1 |
1 |
85 |
◊ |
[F7X]B:105 |
x,y,z |
1_555 |
2 |
1 |
527 |
12.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 102 |
161 |
|
E |
2 |
1 |
2138 |
◊ |
G |
-x+2,y-1/2,-z+2 |
2_747 |
3 |
2 |
1782 |
12.0 |
-0.9 |
0.431 |
0 |
0 |
0 |
0.000 |
| 103 |
162 |
|
[F7R]B:101 |
2 |
1 |
474 |
◊ |
[F7O]D:103 |
x-1,y,z-1 |
1_454 |
3 |
1 |
519 |
12.0 |
-0.3 |
0.364 |
0 |
0 |
0 |
0.000 |
| 104 |
163 |
|
[F7R]B:101 |
1 |
1 |
474 |
◊ |
[F7R]H:104 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
491 |
11.3 |
-1.1 |
0.239 |
0 |
0 |
0 |
0.000 |
| 105 |
164 |
|
[F7U]B:108 |
1 |
1 |
457 |
f |
[F7R]H:101 |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
1 |
494 |
10.5 |
0.1 |
0.443 |
0 |
0 |
0 |
0.000 |
| 106 |
165 |
|
[F7R]F:101 |
2 |
1 |
489 |
◊ |
[F7R]D:104 |
-x+2,y-1/2,-z+2 |
2_747 |
2 |
1 |
484 |
10.1 |
-0.6 |
0.310 |
0 |
0 |
0 |
0.000 |
| 107 |
166 |
|
[F7O]F:103 |
2 |
1 |
517 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
2 |
2036 |
9.6 |
-0.7 |
0.331 |
0 |
0 |
0 |
0.000 |
| 108 |
167 |
|
[F7X]F:102 |
1 |
1 |
528 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
1 |
2036 |
9.4 |
-1.0 |
0.260 |
0 |
0 |
0 |
0.000 |
| 109 |
168 |
|
[F7X]F:102 |
1 |
1 |
528 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
2117 |
8.4 |
0.3 |
0.521 |
0 |
0 |
0 |
0.000 |
| 110 |
169 |
|
A |
2 |
2 |
2117 |
◊ |
[F7X]H:105 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
533 |
7.8 |
-0.8 |
0.257 |
0 |
0 |
0 |
0.000 |
| 111 |
170 |
|
[F7R]F:104 |
1 |
1 |
487 |
◊ |
[F7R]D:107 |
x,y,z |
1_555 |
1 |
1 |
487 |
7.8 |
-0.4 |
0.265 |
0 |
0 |
0 |
0.000 |
| 112 |
171 |
|
G |
3 |
1 |
1782 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2036 |
7.2 |
-0.5 |
0.361 |
0 |
0 |
0 |
0.000 |
| 113 |
172 |
|
[F7X]B:102 |
2 |
1 |
531 |
◊ |
[F7X]D:102 |
x-1,y,z-1 |
1_454 |
2 |
1 |
526 |
6.8 |
-0.1 |
0.296 |
0 |
0 |
0 |
0.000 |
| 114 |
173 |
|
[F7R]D:107 |
3 |
1 |
487 |
◊ |
[5BU]A:6 |
x,y,z |
1_555 |
3 |
1 |
445 |
6.3 |
-0.6 |
0.380 |
0 |
0 |
0 |
0.000 |
174 |
|
[F7R]F:107 |
1 |
1 |
485 |
◊ |
[5BU]G:6 |
x,y,z |
1_555 |
2 |
1 |
448 |
2.6 |
-0.3 |
0.321 |
0 |
0 |
0 |
0.000 |
| Average: |
4.4 |
-0.4 |
0.351 |
0 |
0 |
0 |
0.000 |
| 115 |
175 |
|
[F7O]B:103 |
1 |
1 |
521 |
◊ |
[F7R]F:107 |
x,y,z |
1_555 |
1 |
1 |
485 |
5.0 |
-0.5 |
0.191 |
0 |
0 |
0 |
0.000 |
| 116 |
176 |
|
C |
1 |
1 |
2036 |
◊ |
[F7X]B:102 |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
531 |
5.0 |
-0.1 |
0.318 |
0 |
0 |
0 |
0.000 |
| 117 |
177 |
|
[F7R]F:104 |
1 |
1 |
487 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
2036 |
4.7 |
-0.1 |
0.323 |
0 |
0 |
0 |
0.000 |
| 118 |
178 |
|
E |
1 |
1 |
2138 |
◊ |
[F7R]D:104 |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
484 |
4.4 |
-0.5 |
0.214 |
0 |
0 |
0 |
0.000 |
| 119 |
179 |
|
[F7O]F:106 |
1 |
1 |
521 |
◊ |
[F7R]B:104 |
x,y,z |
1_555 |
1 |
1 |
485 |
4.3 |
-0.2 |
0.252 |
0 |
0 |
0 |
0.000 |
| 120 |
180 |
|
[F7U]D:108 |
1 |
1 |
460 |
◊ |
[F7U]B:108 |
x,y,z |
1_555 |
1 |
1 |
457 |
3.9 |
0.1 |
0.350 |
0 |
0 |
0 |
0.000 |
181 |
|
[F7U]H:108 |
1 |
1 |
463 |
◊ |
[F7U]F:108 |
x,y,z |
1_555 |
1 |
1 |
461 |
3.1 |
0.1 |
0.303 |
0 |
0 |
0 |
0.000 |
| Average: |
3.5 |
0.1 |
0.327 |
0 |
0 |
0 |
0.000 |
| 121 |
182 |
|
E |
2 |
1 |
2138 |
◊ |
[F7O]H:106 |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
523 |
3.4 |
-0.1 |
0.392 |
0 |
0 |
0 |
0.000 |
| 122 |
183 |
|
[F7R]F:101 |
1 |
1 |
489 |
◊ |
[F7R]B:101 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
474 |
3.2 |
-0.3 |
0.250 |
0 |
0 |
0 |
0.000 |
| 123 |
184 |
|
[5BU]C:6 |
1 |
1 |
446 |
◊ |
[F7R]H:101 |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
494 |
2.9 |
-0.3 |
0.245 |
0 |
0 |
0 |
0.000 |
| 124 |
185 |
|
[F7X]F:102 |
3 |
1 |
528 |
◊ |
[F7R]H:101 |
x,y-1,z |
1_545 |
3 |
1 |
494 |
2.7 |
0.0 |
0.385 |
0 |
0 |
0 |
0.000 |
| 125 |
186 |
|
[F7X]F:102 |
1 |
1 |
528 |
◊ |
[F7R]D:104 |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
484 |
2.6 |
-0.1 |
0.330 |
0 |
0 |
0 |
0.000 |
| 126 |
187 |
|
[F7R]F:104 |
1 |
1 |
487 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
2117 |
2.6 |
-0.0 |
0.343 |
0 |
0 |
0 |
0.000 |
| 127 |
188 |
|
[F7R]F:104 |
1 |
1 |
487 |
f |
[5BU]A:6 |
x,y,z |
1_555 |
1 |
1 |
445 |
2.6 |
-0.0 |
0.387 |
0 |
0 |
0 |
0.000 |
| 128 |
189 |
|
C |
1 |
1 |
2036 |
◊ |
[F7R]D:104 |
-x+2,y-1/2,-z+3 |
2_748 |
1 |
1 |
484 |
2.6 |
0.1 |
0.430 |
0 |
0 |
0 |
0.000 |
| 129 |
190 |
|
[F7R]B:104 |
1 |
1 |
485 |
◊ |
G |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
1782 |
2.4 |
-0.1 |
0.337 |
0 |
0 |
0 |
0.000 |
| 130 |
191 |
|
[F7X]F:102 |
2 |
1 |
528 |
◊ |
[F7X]H:102 |
x,y-1,z |
1_545 |
2 |
1 |
531 |
2.0 |
-0.1 |
0.323 |
0 |
0 |
0 |
0.000 |
| 131 |
192 |
|
[F7R]B:107 |
1 |
1 |
486 |
◊ |
[5BU]C:6 |
x,y,z |
1_555 |
1 |
1 |
446 |
1.8 |
-0.2 |
0.267 |
0 |
0 |
0 |
0.000 |
| 132 |
193 |
|
[F7X]B:102 |
1 |
1 |
531 |
◊ |
[F7R]H:104 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
491 |
1.5 |
-0.0 |
0.264 |
0 |
0 |
0 |
0.000 |
| 133 |
194 |
|
C |
1 |
1 |
2036 |
◊ |
[F7R]H:101 |
-x+1,y-1/2,-z+2 |
2_647 |
2 |
1 |
494 |
1.0 |
0.0 |
0.426 |
0 |
0 |
0 |
0.000 |
| 134 |
195 |
|
[F7O]B:103 |
1 |
1 |
521 |
◊ |
[F7R]D:101 |
x-1,y,z-1 |
1_454 |
1 |
1 |
484 |
0.9 |
-0.0 |
0.381 |
0 |
0 |
0 |
0.000 |
| 135 |
196 |
|
[CA]B:201 |
1 |
1 |
85 |
◊ |
[F7U]D:108 |
x,y,z |
1_555 |
1 |
1 |
460 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 136 |
197 |
|
[5BU]E:6 |
1 |
1 |
443 |
◊ |
[F7X]D:102 |
x,y,z-1 |
1_554 |
1 |
1 |
526 |
0.2 |
0.0 |
0.364 |
0 |
0 |
0 |
0.000 |
|