| ## |
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 |
|
K |
224 |
63 |
21661 |
◊ |
J |
x,y,z |
1_555 |
221 |
62 |
21648 |
2068.5 |
-6.5 |
0.578 |
30 |
4 |
0 |
0.228 |
2 |
|
D |
225 |
61 |
21803 |
◊ |
A |
x,y,z |
1_555 |
224 |
61 |
21892 |
2053.7 |
-4.4 |
0.713 |
32 |
4 |
0 |
0.228 |
3 |
|
C |
219 |
61 |
21934 |
◊ |
B |
x,y,z |
1_555 |
220 |
61 |
21739 |
2045.9 |
-5.3 |
0.633 |
31 |
4 |
0 |
0.228 |
4 |
|
H |
213 |
60 |
22034 |
◊ |
E |
x,y,z |
1_555 |
213 |
59 |
21572 |
2001.1 |
-6.6 |
0.576 |
29 |
4 |
0 |
0.228 |
5 |
|
L |
212 |
61 |
21067 |
◊ |
I |
x,y,z |
1_555 |
211 |
59 |
21637 |
1978.6 |
-7.9 |
0.566 |
28 |
4 |
0 |
0.228 |
6 |
|
O |
200 |
57 |
21138 |
◊ |
N |
x,y,z |
1_555 |
198 |
58 |
21190 |
1877.1 |
-8.9 |
0.560 |
30 |
4 |
0 |
0.228 |
7 |
|
G |
199 |
60 |
20603 |
◊ |
F |
x,y,z |
1_555 |
200 |
60 |
21125 |
1866.2 |
-8.7 |
0.503 |
31 |
4 |
0 |
0.228 |
8 |
|
P |
200 |
59 |
20954 |
◊ |
M |
x,y,z |
1_555 |
202 |
60 |
20714 |
1854.1 |
-7.5 |
0.640 |
30 |
4 |
0 |
0.228 |
| Average: |
1968.1 |
-7.0 |
0.596 |
30 |
4 |
0 |
0.228 |
| 2 |
9 |
|
P |
193 |
49 |
20954 |
◊ |
O |
x,y,z |
1_555 |
192 |
50 |
21138 |
1787.0 |
-13.6 |
0.320 |
22 |
0 |
0 |
0.201 |
10 |
|
F |
196 |
52 |
21125 |
◊ |
E |
x,y,z |
1_555 |
195 |
50 |
21572 |
1775.9 |
-9.7 |
0.430 |
20 |
0 |
0 |
0.201 |
11 |
|
L |
191 |
49 |
21067 |
◊ |
K |
x,y,z |
1_555 |
193 |
49 |
21661 |
1761.2 |
-12.8 |
0.285 |
21 |
0 |
0 |
0.201 |
12 |
|
B |
195 |
51 |
21739 |
◊ |
A |
x,y,z |
1_555 |
195 |
49 |
21892 |
1759.5 |
-11.9 |
0.320 |
22 |
0 |
0 |
0.201 |
13 |
|
J |
193 |
51 |
21648 |
◊ |
I |
x,y,z |
1_555 |
189 |
49 |
21637 |
1746.3 |
-12.1 |
0.266 |
20 |
0 |
0 |
0.201 |
14 |
|
H |
188 |
49 |
22034 |
◊ |
G |
x,y,z |
1_555 |
188 |
50 |
20603 |
1739.8 |
-11.3 |
0.312 |
21 |
0 |
0 |
0.201 |
15 |
|
D |
185 |
50 |
21803 |
◊ |
C |
x,y,z |
1_555 |
187 |
49 |
21934 |
1718.5 |
-11.4 |
0.299 |
20 |
0 |
0 |
0.201 |
16 |
|
N |
184 |
49 |
21190 |
◊ |
M |
x,y,z |
1_555 |
180 |
47 |
20714 |
1685.0 |
-11.6 |
0.375 |
18 |
0 |
0 |
0.201 |
| Average: |
1746.6 |
-11.8 |
0.326 |
21 |
0 |
0 |
0.201 |
| 3 |
17 |
|
C |
47 |
15 |
21934 |
◊ |
A |
x,y,z |
1_555 |
46 |
15 |
21892 |
415.5 |
-1.5 |
0.545 |
2 |
4 |
0 |
0.022 |
18 |
|
G |
46 |
14 |
20603 |
◊ |
E |
x,y,z |
1_555 |
47 |
14 |
21572 |
408.4 |
-1.6 |
0.552 |
2 |
3 |
0 |
0.022 |
19 |
|
D |
48 |
15 |
21803 |
◊ |
B |
x,y,z |
1_555 |
46 |
14 |
21739 |
396.7 |
-1.6 |
0.535 |
2 |
4 |
0 |
0.022 |
20 |
|
K |
45 |
13 |
21661 |
◊ |
I |
x,y,z |
1_555 |
41 |
13 |
21637 |
395.0 |
-0.6 |
0.611 |
2 |
3 |
0 |
0.022 |
21 |
|
O |
44 |
13 |
21138 |
◊ |
M |
x,y,z |
1_555 |
46 |
13 |
20714 |
392.4 |
-2.1 |
0.538 |
1 |
2 |
0 |
0.022 |
22 |
|
L |
46 |
12 |
21067 |
◊ |
J |
x,y,z |
1_555 |
43 |
12 |
21648 |
389.7 |
-2.3 |
0.473 |
2 |
4 |
0 |
0.022 |
23 |
|
P |
46 |
13 |
20954 |
◊ |
N |
x,y,z |
1_555 |
46 |
14 |
21190 |
389.3 |
-3.0 |
0.447 |
1 |
3 |
0 |
0.022 |
24 |
|
H |
41 |
12 |
22034 |
◊ |
F |
x,y,z |
1_555 |
44 |
13 |
21125 |
389.1 |
-1.3 |
0.549 |
3 |
4 |
0 |
0.022 |
| Average: |
397.0 |
-1.8 |
0.531 |
2 |
3 |
0 |
0.022 |
| 4 |
25 |
|
[0KX]G:706 |
28 |
1 |
607 |
f |
G |
x,y,z |
1_555 |
59 |
23 |
20603 |
396.3 |
-1.4 |
0.577 |
15 |
0 |
0 |
0.152 |
26 |
|
[0KX]O:705 |
27 |
1 |
595 |
f |
O |
x,y,z |
1_555 |
57 |
21 |
21138 |
393.1 |
-1.7 |
0.570 |
14 |
0 |
0 |
0.152 |
27 |
|
[0KX]E:704 |
27 |
1 |
594 |
f |
E |
x,y,z |
1_555 |
58 |
21 |
21572 |
393.0 |
-1.4 |
0.565 |
14 |
0 |
0 |
0.152 |
28 |
|
[0KX]C:706 |
27 |
1 |
600 |
f |
C |
x,y,z |
1_555 |
61 |
24 |
21934 |
392.7 |
-1.7 |
0.547 |
14 |
0 |
0 |
0.152 |
29 |
|
[0KX]M:705 |
28 |
1 |
586 |
f |
M |
x,y,z |
1_555 |
57 |
22 |
20714 |
390.5 |
-1.6 |
0.595 |
13 |
0 |
0 |
0.152 |
30 |
|
[0KX]B:705 |
27 |
1 |
597 |
f |
B |
x,y,z |
1_555 |
59 |
21 |
21739 |
389.3 |
-1.3 |
0.551 |
16 |
0 |
0 |
0.152 |
31 |
|
[0KX]K:706 |
27 |
1 |
595 |
f |
K |
x,y,z |
1_555 |
56 |
20 |
21661 |
389.1 |
-1.1 |
0.557 |
15 |
0 |
0 |
0.152 |
32 |
|
[0KX]H:705 |
28 |
1 |
593 |
f |
H |
x,y,z |
1_555 |
55 |
20 |
22034 |
388.8 |
-1.4 |
0.538 |
15 |
0 |
0 |
0.152 |
33 |
|
[0KX]P:706 |
26 |
1 |
597 |
f |
P |
x,y,z |
1_555 |
59 |
22 |
20954 |
388.7 |
-1.0 |
0.607 |
14 |
0 |
0 |
0.152 |
34 |
|
[0KX]J:704 |
28 |
1 |
593 |
f |
J |
x,y,z |
1_555 |
57 |
20 |
21648 |
387.9 |
-0.7 |
0.588 |
14 |
0 |
0 |
0.152 |
35 |
|
[0KX]D:706 |
27 |
1 |
586 |
f |
D |
x,y,z |
1_555 |
57 |
21 |
21803 |
387.3 |
-1.2 |
0.558 |
15 |
0 |
0 |
0.152 |
36 |
|
[0KX]A:705 |
28 |
1 |
591 |
f |
A |
x,y,z |
1_555 |
56 |
20 |
21892 |
387.0 |
-0.9 |
0.569 |
15 |
0 |
0 |
0.152 |
37 |
|
[0KX]I:705 |
28 |
1 |
590 |
f |
I |
x,y,z |
1_555 |
60 |
23 |
21637 |
385.7 |
-1.5 |
0.539 |
14 |
0 |
0 |
0.152 |
38 |
|
[0KX]N:704 |
28 |
1 |
589 |
f |
N |
x,y,z |
1_555 |
55 |
21 |
21190 |
385.7 |
-0.8 |
0.626 |
14 |
0 |
0 |
0.152 |
39 |
|
[0KX]F:704 |
28 |
1 |
586 |
f |
F |
x,y,z |
1_555 |
58 |
21 |
21125 |
385.4 |
-1.2 |
0.558 |
14 |
0 |
0 |
0.152 |
40 |
|
[0KX]L:706 |
26 |
1 |
583 |
f |
L |
x,y,z |
1_555 |
56 |
21 |
21067 |
383.1 |
-1.1 |
0.588 |
15 |
0 |
0 |
0.152 |
| Average: |
389.0 |
-1.2 |
0.571 |
14 |
0 |
0 |
0.152 |
| 5 |
41 |
|
I |
27 |
9 |
21637 |
◊ |
A |
x,y,z |
1_555 |
30 |
10 |
21892 |
263.5 |
-3.3 |
0.245 |
1 |
1 |
0 |
0.000 |
| 6 |
42 |
|
N |
21 |
6 |
21190 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
33 |
9 |
22034 |
255.0 |
-4.7 |
0.075 |
1 |
0 |
0 |
0.000 |
| 7 |
43 |
|
P |
29 |
10 |
20954 |
◊ |
I |
-x+1,y-1/2,-z-1 |
2_644 |
27 |
8 |
21637 |
239.2 |
-3.1 |
0.262 |
0 |
0 |
0 |
0.000 |
| 8 |
44 |
|
D |
26 |
7 |
21803 |
◊ |
B |
x-1,y,z |
1_455 |
27 |
8 |
21739 |
237.5 |
-0.2 |
0.584 |
3 |
2 |
0 |
0.000 |
| 9 |
45 |
|
H |
23 |
5 |
22034 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
21892 |
223.6 |
-2.9 |
0.200 |
0 |
0 |
0 |
0.000 |
46 |
|
J |
23 |
7 |
21648 |
◊ |
C |
-x+1,y-1/2,-z-1 |
2_644 |
21 |
6 |
21934 |
210.5 |
-3.1 |
0.176 |
1 |
0 |
0 |
0.000 |
47 |
|
E |
23 |
7 |
21572 |
◊ |
D |
x,y,z |
1_555 |
21 |
6 |
21803 |
210.1 |
-3.1 |
0.184 |
0 |
0 |
0 |
0.000 |
48 |
|
K |
20 |
5 |
21661 |
◊ |
B |
-x+1,y-1/2,-z-1 |
2_644 |
23 |
7 |
21739 |
197.6 |
-3.0 |
0.181 |
0 |
0 |
0 |
0.000 |
| Average: |
210.5 |
-3.0 |
0.185 |
0 |
0 |
0 |
0.000 |
| 10 |
49 |
|
[GTP]A:706 |
26 |
1 |
598 |
f |
B |
x,y,z |
1_555 |
35 |
12 |
21739 |
220.2 |
-0.5 |
0.579 |
4 |
0 |
0 |
0.053 |
50 |
|
[GTP]M:706 |
26 |
1 |
596 |
f |
N |
x,y,z |
1_555 |
38 |
13 |
21190 |
218.6 |
-1.5 |
0.572 |
3 |
0 |
0 |
0.053 |
51 |
|
[GTP]N:705 |
27 |
1 |
593 |
f |
M |
x,y,z |
1_555 |
37 |
13 |
20714 |
217.1 |
-0.8 |
0.612 |
3 |
0 |
0 |
0.053 |
52 |
|
[GTP]J:705 |
24 |
1 |
588 |
f |
I |
x,y,z |
1_555 |
36 |
13 |
21637 |
216.4 |
-0.6 |
0.589 |
4 |
0 |
0 |
0.053 |
53 |
|
[GTP]L:707 |
26 |
1 |
593 |
f |
K |
x,y,z |
1_555 |
35 |
13 |
21661 |
214.7 |
-0.4 |
0.587 |
4 |
0 |
0 |
0.053 |
54 |
|
[GTP]C:707 |
26 |
1 |
587 |
f |
D |
x,y,z |
1_555 |
36 |
13 |
21803 |
214.4 |
-0.9 |
0.563 |
3 |
0 |
0 |
0.053 |
55 |
|
[GTP]I:706 |
26 |
1 |
588 |
f |
J |
x,y,z |
1_555 |
36 |
13 |
21648 |
213.3 |
-0.9 |
0.542 |
3 |
0 |
0 |
0.053 |
56 |
|
[GTP]H:706 |
26 |
1 |
587 |
f |
G |
x,y,z |
1_555 |
35 |
12 |
20603 |
213.1 |
-1.1 |
0.548 |
3 |
0 |
0 |
0.053 |
57 |
|
[GTP]F:705 |
26 |
1 |
585 |
f |
E |
x,y,z |
1_555 |
35 |
12 |
21572 |
211.6 |
-0.4 |
0.618 |
4 |
0 |
0 |
0.053 |
58 |
|
[GTP]D:707 |
26 |
1 |
586 |
f |
C |
x,y,z |
1_555 |
36 |
13 |
21934 |
211.1 |
-0.9 |
0.525 |
3 |
0 |
0 |
0.053 |
59 |
|
[GTP]K:707 |
26 |
1 |
583 |
f |
L |
x,y,z |
1_555 |
34 |
12 |
21067 |
210.5 |
-0.9 |
0.550 |
3 |
0 |
0 |
0.053 |
60 |
|
[GTP]G:707 |
26 |
1 |
589 |
f |
H |
x,y,z |
1_555 |
36 |
12 |
22034 |
207.6 |
-1.0 |
0.541 |
3 |
0 |
0 |
0.053 |
61 |
|
[GTP]B:706 |
26 |
1 |
586 |
f |
A |
x,y,z |
1_555 |
37 |
13 |
21892 |
206.9 |
-1.1 |
0.545 |
3 |
0 |
0 |
0.053 |
62 |
|
[GTP]O:707 |
26 |
1 |
589 |
f |
O |
x,y,z |
1_555 |
31 |
11 |
21138 |
205.6 |
-0.7 |
0.587 |
4 |
0 |
0 |
0.053 |
63 |
|
[GTP]E:705 |
26 |
1 |
584 |
f |
F |
x,y,z |
1_555 |
31 |
12 |
21125 |
201.8 |
-0.1 |
0.597 |
3 |
0 |
0 |
0.053 |
64 |
|
[GTP]O:706 |
23 |
1 |
580 |
f |
P |
x,y,z |
1_555 |
32 |
11 |
20954 |
191.7 |
-0.5 |
0.569 |
3 |
0 |
0 |
0.053 |
| Average: |
210.9 |
-0.8 |
0.570 |
3 |
0 |
0 |
0.053 |
| 11 |
65 |
|
O |
22 |
6 |
21138 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
28 |
9 |
21125 |
217.1 |
-0.7 |
0.486 |
4 |
0 |
0 |
0.000 |
| 12 |
66 |
|
C |
22 |
7 |
21934 |
◊ |
B |
x-1,y,z |
1_455 |
33 |
11 |
21739 |
215.4 |
2.1 |
0.770 |
3 |
1 |
0 |
0.000 |
| 13 |
67 |
|
[GTP]O:706 |
21 |
1 |
580 |
◊ |
O |
x,y,z |
1_555 |
22 |
10 |
21138 |
214.2 |
0.3 |
0.638 |
5 |
0 |
0 |
0.036 |
68 |
|
[GTP]N:705 |
22 |
1 |
593 |
◊ |
N |
x,y,z |
1_555 |
23 |
10 |
21190 |
211.9 |
0.6 |
0.686 |
7 |
0 |
0 |
0.036 |
69 |
|
[GTP]L:707 |
20 |
1 |
593 |
◊ |
L |
x,y,z |
1_555 |
22 |
11 |
21067 |
210.5 |
0.9 |
0.692 |
7 |
0 |
0 |
0.036 |
70 |
|
[GTP]O:707 |
22 |
1 |
589 |
◊ |
P |
x,y,z |
1_555 |
23 |
10 |
20954 |
210.3 |
0.3 |
0.684 |
6 |
0 |
0 |
0.036 |
71 |
|
[GTP]K:707 |
21 |
1 |
583 |
◊ |
K |
x,y,z |
1_555 |
23 |
11 |
21661 |
209.6 |
0.8 |
0.668 |
7 |
0 |
0 |
0.036 |
72 |
|
[GTP]I:706 |
21 |
1 |
588 |
◊ |
I |
x,y,z |
1_555 |
23 |
10 |
21637 |
207.4 |
0.7 |
0.674 |
6 |
0 |
0 |
0.036 |
73 |
|
[GTP]B:706 |
21 |
1 |
586 |
◊ |
B |
x,y,z |
1_555 |
23 |
11 |
21739 |
207.0 |
0.5 |
0.659 |
6 |
0 |
0 |
0.036 |
74 |
|
[GTP]M:706 |
20 |
1 |
596 |
◊ |
M |
x,y,z |
1_555 |
23 |
11 |
20714 |
206.3 |
0.5 |
0.662 |
5 |
0 |
0 |
0.036 |
75 |
|
[GTP]E:705 |
21 |
1 |
584 |
◊ |
E |
x,y,z |
1_555 |
22 |
11 |
21572 |
206.2 |
1.3 |
0.700 |
5 |
0 |
0 |
0.036 |
76 |
|
[GTP]D:707 |
21 |
1 |
586 |
◊ |
D |
x,y,z |
1_555 |
24 |
11 |
21803 |
206.2 |
1.2 |
0.706 |
6 |
0 |
0 |
0.036 |
77 |
|
[GTP]H:706 |
20 |
1 |
587 |
◊ |
H |
x,y,z |
1_555 |
23 |
11 |
22034 |
205.8 |
0.7 |
0.675 |
7 |
0 |
0 |
0.036 |
78 |
|
[GTP]F:705 |
21 |
1 |
585 |
◊ |
F |
x,y,z |
1_555 |
24 |
11 |
21125 |
205.6 |
0.7 |
0.693 |
6 |
0 |
0 |
0.036 |
79 |
|
[GTP]C:707 |
21 |
1 |
587 |
◊ |
C |
x,y,z |
1_555 |
24 |
11 |
21934 |
205.4 |
0.9 |
0.696 |
7 |
0 |
0 |
0.036 |
80 |
|
[GTP]A:706 |
21 |
1 |
598 |
◊ |
A |
x,y,z |
1_555 |
22 |
10 |
21892 |
205.2 |
0.8 |
0.683 |
7 |
0 |
0 |
0.036 |
81 |
|
[GTP]J:705 |
22 |
1 |
588 |
◊ |
J |
x,y,z |
1_555 |
22 |
10 |
21648 |
203.2 |
0.8 |
0.686 |
6 |
0 |
0 |
0.036 |
82 |
|
[GTP]G:707 |
21 |
1 |
589 |
◊ |
G |
x,y,z |
1_555 |
22 |
11 |
20603 |
202.2 |
0.7 |
0.687 |
7 |
0 |
0 |
0.036 |
| Average: |
207.3 |
0.7 |
0.681 |
6 |
0 |
0 |
0.036 |
| 14 |
83 |
|
[DTP]M:708 |
22 |
1 |
609 |
f |
P |
x,y,z |
1_555 |
26 |
10 |
20954 |
193.6 |
0.8 |
0.576 |
3 |
0 |
0 |
0.042 |
84 |
|
[DTP]C:701 |
26 |
1 |
607 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
21739 |
193.3 |
1.1 |
0.554 |
4 |
0 |
0 |
0.042 |
85 |
|
[DTP]B:708 |
24 |
1 |
607 |
f |
C |
x,y,z |
1_555 |
26 |
10 |
21934 |
193.2 |
0.1 |
0.434 |
4 |
0 |
0 |
0.042 |
86 |
|
[DTP]N:706 |
24 |
1 |
606 |
f |
O |
x,y,z |
1_555 |
24 |
9 |
21138 |
193.1 |
-0.7 |
0.341 |
3 |
0 |
0 |
0.042 |
87 |
|
[DTP]K:701 |
25 |
1 |
608 |
f |
J |
x,y,z |
1_555 |
24 |
9 |
21648 |
193.1 |
1.0 |
0.568 |
3 |
0 |
0 |
0.042 |
88 |
|
[DTP]J:707 |
24 |
1 |
608 |
f |
K |
x,y,z |
1_555 |
25 |
10 |
21661 |
192.9 |
0.7 |
0.541 |
4 |
0 |
0 |
0.042 |
89 |
|
[DTP]O:701 |
25 |
1 |
613 |
f |
N |
x,y,z |
1_555 |
24 |
9 |
21190 |
191.6 |
-0.4 |
0.428 |
4 |
0 |
0 |
0.042 |
90 |
|
[DTP]L:701 |
24 |
1 |
609 |
f |
I |
x,y,z |
1_555 |
25 |
10 |
21637 |
191.2 |
1.1 |
0.556 |
4 |
0 |
0 |
0.042 |
91 |
|
[DTP]A:708 |
23 |
1 |
613 |
f |
D |
x,y,z |
1_555 |
25 |
10 |
21803 |
190.4 |
0.5 |
0.554 |
4 |
0 |
0 |
0.042 |
92 |
|
[DTP]F:706 |
24 |
1 |
601 |
f |
G |
x,y,z |
1_555 |
24 |
9 |
20603 |
189.9 |
-0.1 |
0.410 |
3 |
0 |
0 |
0.042 |
93 |
|
[DTP]E:706 |
24 |
1 |
612 |
f |
H |
x,y,z |
1_555 |
24 |
9 |
22034 |
189.8 |
0.8 |
0.562 |
2 |
0 |
0 |
0.042 |
94 |
|
[DTP]I:708 |
24 |
1 |
595 |
f |
L |
x,y,z |
1_555 |
24 |
9 |
21067 |
189.6 |
0.9 |
0.581 |
4 |
0 |
0 |
0.042 |
95 |
|
[DTP]D:701 |
24 |
1 |
610 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
21892 |
189.4 |
0.3 |
0.514 |
4 |
0 |
0 |
0.042 |
96 |
|
[DTP]G:701 |
25 |
1 |
611 |
f |
F |
x,y,z |
1_555 |
24 |
9 |
21125 |
189.0 |
0.7 |
0.567 |
3 |
0 |
0 |
0.042 |
97 |
|
[DTP]P:701 |
26 |
1 |
612 |
f |
M |
x,y,z |
1_555 |
24 |
9 |
20714 |
188.7 |
-0.2 |
0.433 |
4 |
0 |
0 |
0.042 |
98 |
|
[DTP]H:701 |
23 |
1 |
607 |
f |
E |
x,y,z |
1_555 |
24 |
9 |
21572 |
188.2 |
0.4 |
0.517 |
3 |
0 |
0 |
0.042 |
| Average: |
191.1 |
0.4 |
0.509 |
4 |
0 |
0 |
0.042 |
| 15 |
99 |
|
L |
25 |
8 |
21067 |
◊ |
C |
-x+1,y-1/2,-z-1 |
2_644 |
23 |
9 |
21934 |
189.3 |
-0.5 |
0.585 |
0 |
0 |
0 |
0.000 |
100 |
|
G |
22 |
7 |
20603 |
◊ |
D |
x,y,z |
1_555 |
22 |
8 |
21803 |
186.7 |
-0.6 |
0.562 |
1 |
0 |
0 |
0.000 |
101 |
|
H |
17 |
6 |
22034 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
21934 |
168.2 |
-0.2 |
0.591 |
2 |
0 |
0 |
0.000 |
102 |
|
K |
13 |
6 |
21661 |
◊ |
D |
-x+1,y-1/2,-z-1 |
2_644 |
16 |
7 |
21803 |
127.7 |
-0.7 |
0.502 |
0 |
0 |
0 |
0.000 |
| Average: |
168.0 |
-0.5 |
0.560 |
1 |
0 |
0 |
0.000 |
| 16 |
103 |
|
[DTP]E:706 |
21 |
1 |
612 |
◊ |
E |
x,y,z |
1_555 |
19 |
7 |
21572 |
186.9 |
2.6 |
0.631 |
9 |
0 |
0 |
0.020 |
104 |
|
[DTP]A:708 |
20 |
1 |
613 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
21892 |
180.8 |
3.1 |
0.691 |
8 |
0 |
0 |
0.020 |
105 |
|
[DTP]O:701 |
20 |
1 |
613 |
◊ |
O |
x,y,z |
1_555 |
20 |
7 |
21138 |
180.2 |
3.0 |
0.675 |
8 |
0 |
0 |
0.020 |
106 |
|
[DTP]C:701 |
20 |
1 |
607 |
◊ |
C |
x,y,z |
1_555 |
21 |
8 |
21934 |
179.8 |
3.1 |
0.658 |
7 |
0 |
0 |
0.020 |
107 |
|
[DTP]D:701 |
19 |
1 |
610 |
◊ |
D |
x,y,z |
1_555 |
20 |
7 |
21803 |
178.5 |
2.8 |
0.670 |
9 |
0 |
0 |
0.020 |
108 |
|
[DTP]L:701 |
21 |
1 |
609 |
◊ |
L |
x,y,z |
1_555 |
21 |
8 |
21067 |
178.2 |
3.3 |
0.677 |
8 |
0 |
0 |
0.020 |
109 |
|
[DTP]N:706 |
21 |
1 |
606 |
◊ |
N |
x,y,z |
1_555 |
20 |
7 |
21190 |
177.4 |
2.9 |
0.660 |
9 |
0 |
0 |
0.020 |
110 |
|
[DTP]B:708 |
21 |
1 |
607 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
21739 |
177.1 |
2.9 |
0.660 |
8 |
0 |
0 |
0.020 |
111 |
|
[DTP]H:701 |
20 |
1 |
607 |
◊ |
H |
x,y,z |
1_555 |
20 |
7 |
22034 |
176.6 |
2.9 |
0.669 |
8 |
0 |
0 |
0.020 |
112 |
|
[DTP]G:701 |
21 |
1 |
611 |
◊ |
G |
x,y,z |
1_555 |
19 |
7 |
20603 |
176.3 |
2.8 |
0.666 |
8 |
0 |
0 |
0.020 |
113 |
|
[DTP]J:707 |
20 |
1 |
608 |
◊ |
J |
x,y,z |
1_555 |
21 |
8 |
21648 |
176.1 |
2.7 |
0.655 |
9 |
0 |
0 |
0.020 |
114 |
|
[DTP]K:701 |
21 |
1 |
608 |
◊ |
K |
x,y,z |
1_555 |
20 |
7 |
21661 |
175.2 |
2.3 |
0.653 |
8 |
0 |
0 |
0.020 |
115 |
|
[DTP]P:701 |
21 |
1 |
612 |
◊ |
P |
x,y,z |
1_555 |
20 |
7 |
20954 |
174.8 |
2.6 |
0.666 |
8 |
0 |
0 |
0.020 |
116 |
|
[DTP]I:708 |
21 |
1 |
595 |
◊ |
I |
x,y,z |
1_555 |
21 |
8 |
21637 |
174.4 |
2.9 |
0.660 |
7 |
0 |
0 |
0.020 |
117 |
|
[DTP]F:706 |
22 |
1 |
601 |
◊ |
F |
x,y,z |
1_555 |
19 |
7 |
21125 |
173.0 |
3.1 |
0.649 |
8 |
0 |
0 |
0.020 |
118 |
|
[DTP]M:708 |
21 |
1 |
609 |
◊ |
M |
x,y,z |
1_555 |
21 |
8 |
20714 |
171.4 |
2.8 |
0.648 |
7 |
0 |
0 |
0.020 |
| Average: |
177.3 |
2.9 |
0.662 |
8 |
0 |
0 |
0.020 |
| 17 |
119 |
|
D |
29 |
9 |
21803 |
◊ |
A |
x-1,y,z |
1_455 |
23 |
9 |
21892 |
184.3 |
1.6 |
0.811 |
3 |
0 |
0 |
0.000 |
| 18 |
120 |
|
M |
20 |
6 |
20714 |
◊ |
J |
x,y,z |
1_555 |
19 |
6 |
21648 |
169.4 |
-3.4 |
0.160 |
0 |
0 |
0 |
0.000 |
| 19 |
121 |
|
E |
15 |
6 |
21572 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
20 |
9 |
22034 |
132.5 |
0.0 |
0.635 |
0 |
0 |
0 |
0.000 |
| 20 |
122 |
|
F |
13 |
4 |
21125 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
12 |
5 |
21739 |
129.9 |
-1.6 |
0.228 |
0 |
0 |
0 |
0.000 |
| 21 |
123 |
|
P |
17 |
5 |
20954 |
◊ |
C |
x,y-1,z |
1_545 |
15 |
5 |
21934 |
124.4 |
-0.2 |
0.600 |
0 |
0 |
0 |
0.000 |
| 22 |
124 |
|
[DTP]G:701 |
14 |
1 |
611 |
◊ |
E |
x,y,z |
1_555 |
16 |
5 |
21572 |
111.2 |
0.1 |
0.448 |
1 |
0 |
0 |
0.006 |
125 |
|
[DTP]H:701 |
13 |
1 |
607 |
◊ |
F |
x,y,z |
1_555 |
17 |
5 |
21125 |
107.9 |
0.4 |
0.495 |
1 |
0 |
0 |
0.006 |
126 |
|
[DTP]P:701 |
12 |
1 |
612 |
◊ |
N |
x,y,z |
1_555 |
17 |
5 |
21190 |
107.8 |
0.1 |
0.482 |
1 |
0 |
0 |
0.006 |
127 |
|
[DTP]K:701 |
13 |
1 |
608 |
◊ |
I |
x,y,z |
1_555 |
16 |
5 |
21637 |
106.9 |
0.1 |
0.447 |
1 |
0 |
0 |
0.006 |
128 |
|
[DTP]M:708 |
16 |
1 |
609 |
◊ |
O |
x,y,z |
1_555 |
16 |
5 |
21138 |
106.0 |
0.4 |
0.491 |
1 |
0 |
0 |
0.006 |
129 |
|
[DTP]O:701 |
11 |
1 |
613 |
◊ |
M |
x,y,z |
1_555 |
16 |
5 |
20714 |
105.7 |
0.0 |
0.473 |
1 |
0 |
0 |
0.006 |
130 |
|
[DTP]A:708 |
14 |
1 |
613 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
21934 |
105.5 |
0.2 |
0.467 |
1 |
0 |
0 |
0.006 |
131 |
|
[DTP]J:707 |
16 |
1 |
608 |
◊ |
L |
x,y,z |
1_555 |
17 |
5 |
21067 |
105.4 |
-0.1 |
0.467 |
1 |
0 |
0 |
0.006 |
132 |
|
[DTP]L:701 |
15 |
1 |
609 |
◊ |
J |
x,y,z |
1_555 |
17 |
5 |
21648 |
105.1 |
0.1 |
0.434 |
1 |
0 |
0 |
0.006 |
133 |
|
[DTP]D:701 |
13 |
1 |
610 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
21739 |
104.8 |
0.3 |
0.470 |
1 |
0 |
0 |
0.006 |
134 |
|
[DTP]F:706 |
13 |
1 |
601 |
◊ |
H |
x,y,z |
1_555 |
17 |
5 |
22034 |
104.6 |
0.5 |
0.478 |
1 |
0 |
0 |
0.006 |
135 |
|
[DTP]I:708 |
14 |
1 |
595 |
◊ |
K |
x,y,z |
1_555 |
16 |
5 |
21661 |
102.6 |
0.2 |
0.463 |
1 |
0 |
0 |
0.006 |
136 |
|
[DTP]N:706 |
13 |
1 |
606 |
◊ |
P |
x,y,z |
1_555 |
16 |
5 |
20954 |
102.3 |
0.3 |
0.497 |
1 |
0 |
0 |
0.006 |
137 |
|
[DTP]B:708 |
12 |
1 |
607 |
◊ |
D |
x,y,z |
1_555 |
17 |
5 |
21803 |
101.8 |
0.2 |
0.484 |
1 |
0 |
0 |
0.006 |
138 |
|
[DTP]C:701 |
13 |
1 |
607 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
21892 |
100.2 |
0.3 |
0.480 |
1 |
0 |
0 |
0.006 |
139 |
|
[DTP]E:706 |
10 |
1 |
612 |
◊ |
G |
x,y,z |
1_555 |
16 |
5 |
20603 |
99.9 |
0.3 |
0.498 |
1 |
0 |
0 |
0.006 |
| Average: |
104.9 |
0.2 |
0.473 |
1 |
0 |
0 |
0.006 |
| 23 |
140 |
|
N |
14 |
5 |
21190 |
◊ |
A |
x-1,y,z |
1_455 |
15 |
6 |
21892 |
108.8 |
-1.5 |
0.367 |
1 |
0 |
0 |
0.000 |
| 24 |
141 |
|
F |
16 |
8 |
21125 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
15 |
6 |
21934 |
108.7 |
-0.2 |
0.565 |
0 |
0 |
0 |
0.000 |
| 25 |
142 |
|
[SO4]J:706 |
5 |
1 |
187 |
f |
J |
x,y,z |
1_555 |
18 |
7 |
21648 |
105.0 |
-15.1 |
0.862 |
7 |
0 |
0 |
0.146 |
| 26 |
143 |
|
[SO4]I:707 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
18 |
7 |
21637 |
104.2 |
-14.5 |
0.883 |
9 |
0 |
0 |
0.125 |
| 27 |
144 |
|
[SO4]M:707 |
5 |
1 |
187 |
f |
M |
x,y,z |
1_555 |
16 |
6 |
20714 |
103.3 |
-15.1 |
0.912 |
6 |
0 |
0 |
0.134 |
| 28 |
145 |
|
[SO4]C:708 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
21934 |
102.1 |
-14.5 |
0.886 |
8 |
0 |
0 |
0.119 |
| 29 |
146 |
|
[SO4]H:707 |
5 |
1 |
188 |
f |
H |
x,y,z |
1_555 |
17 |
7 |
22034 |
102.0 |
-14.9 |
0.877 |
7 |
0 |
0 |
0.160 |
| 30 |
147 |
|
[SO4]B:707 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
21739 |
101.8 |
-13.5 |
0.948 |
8 |
0 |
0 |
0.112 |
| 31 |
148 |
|
[SO4]L:708 |
5 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
15 |
6 |
21067 |
101.0 |
-14.5 |
0.913 |
6 |
0 |
0 |
0.120 |
| 32 |
149 |
|
K |
12 |
6 |
21661 |
◊ |
J |
-x+1,y-1/2,-z-1 |
2_644 |
16 |
7 |
21648 |
100.7 |
0.4 |
0.684 |
0 |
1 |
0 |
0.000 |
| 33 |
150 |
|
[SO4]A:707 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
21892 |
98.5 |
-14.2 |
0.885 |
6 |
0 |
0 |
0.113 |
| 34 |
151 |
|
[DTP]P:701 |
13 |
1 |
612 |
f |
[GTP]N:705 |
x,y,z |
1_555 |
14 |
1 |
593 |
98.3 |
-2.4 |
0.319 |
0 |
0 |
0 |
0.048 |
152 |
|
[DTP]E:706 |
11 |
1 |
612 |
f |
[GTP]G:707 |
x,y,z |
1_555 |
12 |
1 |
589 |
97.4 |
-2.5 |
0.299 |
0 |
0 |
0 |
0.048 |
153 |
|
[DTP]G:701 |
11 |
1 |
611 |
f |
[GTP]E:705 |
x,y,z |
1_555 |
12 |
1 |
584 |
96.8 |
-2.6 |
0.286 |
0 |
0 |
0 |
0.048 |
154 |
|
[DTP]D:701 |
13 |
1 |
610 |
f |
[GTP]B:706 |
x,y,z |
1_555 |
12 |
1 |
586 |
95.6 |
-1.9 |
0.343 |
0 |
0 |
0 |
0.048 |
155 |
|
[DTP]F:706 |
13 |
1 |
601 |
f |
[GTP]H:706 |
x,y,z |
1_555 |
12 |
1 |
587 |
95.2 |
-2.1 |
0.313 |
0 |
0 |
0 |
0.048 |
156 |
|
[DTP]M:708 |
13 |
1 |
609 |
f |
[GTP]O:706 |
x,y,z |
1_555 |
12 |
1 |
580 |
94.8 |
-2.0 |
0.328 |
0 |
0 |
0 |
0.048 |
157 |
|
[DTP]J:707 |
12 |
1 |
608 |
f |
[GTP]L:707 |
x,y,z |
1_555 |
13 |
1 |
593 |
94.7 |
-1.9 |
0.330 |
0 |
0 |
0 |
0.048 |
158 |
|
[DTP]O:701 |
14 |
1 |
613 |
f |
[GTP]M:706 |
x,y,z |
1_555 |
11 |
1 |
596 |
94.6 |
-2.2 |
0.328 |
0 |
0 |
0 |
0.048 |
159 |
|
[DTP]L:701 |
13 |
1 |
609 |
f |
[GTP]J:705 |
x,y,z |
1_555 |
12 |
1 |
588 |
94.5 |
-2.6 |
0.268 |
0 |
0 |
0 |
0.048 |
160 |
|
[DTP]C:701 |
12 |
1 |
607 |
f |
[GTP]A:706 |
x,y,z |
1_555 |
13 |
1 |
598 |
94.3 |
-2.3 |
0.306 |
0 |
0 |
0 |
0.048 |
161 |
|
[DTP]B:708 |
12 |
1 |
607 |
f |
[GTP]D:707 |
x,y,z |
1_555 |
10 |
1 |
586 |
93.9 |
-2.5 |
0.271 |
0 |
0 |
0 |
0.048 |
162 |
|
[DTP]K:701 |
12 |
1 |
608 |
f |
[GTP]I:706 |
x,y,z |
1_555 |
14 |
1 |
588 |
93.7 |
-2.1 |
0.335 |
0 |
0 |
0 |
0.048 |
163 |
|
[DTP]A:708 |
12 |
1 |
613 |
f |
[GTP]C:707 |
x,y,z |
1_555 |
12 |
1 |
587 |
93.5 |
-2.5 |
0.298 |
0 |
0 |
0 |
0.048 |
164 |
|
[DTP]H:701 |
14 |
1 |
607 |
f |
[GTP]F:705 |
x,y,z |
1_555 |
11 |
1 |
585 |
91.9 |
-2.1 |
0.315 |
0 |
0 |
0 |
0.048 |
165 |
|
[DTP]I:708 |
11 |
1 |
595 |
f |
[GTP]K:707 |
x,y,z |
1_555 |
11 |
1 |
583 |
91.0 |
-2.2 |
0.296 |
0 |
0 |
0 |
0.048 |
166 |
|
[DTP]N:706 |
13 |
1 |
606 |
f |
[GTP]O:707 |
x,y,z |
1_555 |
12 |
1 |
589 |
89.8 |
-1.7 |
0.360 |
0 |
0 |
0 |
0.048 |
| Average: |
94.4 |
-2.2 |
0.312 |
0 |
0 |
0 |
0.048 |
| 35 |
167 |
|
[SO4]D:708 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
21803 |
94.5 |
-13.8 |
0.856 |
6 |
0 |
0 |
0.110 |
| 36 |
168 |
|
G |
13 |
5 |
20603 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
4 |
21892 |
88.8 |
-1.2 |
0.374 |
0 |
0 |
0 |
0.000 |
| 37 |
169 |
|
N |
6 |
2 |
21190 |
◊ |
K |
x-1,y,z |
1_455 |
14 |
5 |
21661 |
87.5 |
0.4 |
0.637 |
0 |
0 |
0 |
0.000 |
| 38 |
170 |
|
P |
11 |
6 |
20954 |
◊ |
L |
-x+1,y-1/2,-z-1 |
2_644 |
10 |
4 |
21067 |
78.4 |
-0.4 |
0.545 |
0 |
0 |
0 |
0.000 |
| 39 |
171 |
|
J |
9 |
5 |
21648 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
21803 |
74.7 |
-0.2 |
0.553 |
0 |
0 |
0 |
0.000 |
| 40 |
172 |
|
L |
4 |
1 |
21067 |
◊ |
I |
-x+2,y-1/2,-z-1 |
2_744 |
8 |
4 |
21637 |
66.6 |
-1.1 |
0.159 |
0 |
0 |
0 |
0.000 |
| 41 |
173 |
|
O |
6 |
1 |
21138 |
◊ |
B |
x-1,y-1,z |
1_445 |
10 |
3 |
21739 |
62.7 |
-0.6 |
0.352 |
0 |
0 |
0 |
0.000 |
| 42 |
174 |
|
[FE]F:701 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
9 |
6 |
21125 |
57.0 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.214 |
175 |
|
[FE]H:702 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
8 |
5 |
22034 |
56.3 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.214 |
176 |
|
[FE]E:701 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
10 |
7 |
21572 |
56.1 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.214 |
177 |
|
[FE]J:701 |
1 |
1 |
137 |
cf |
J |
x,y,z |
1_555 |
8 |
5 |
21648 |
56.0 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.214 |
178 |
|
[FE]N:701 |
1 |
1 |
137 |
f |
N |
x,y,z |
1_555 |
8 |
6 |
21190 |
55.8 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.214 |
179 |
|
[FE]O:702 |
1 |
1 |
137 |
f |
O |
x,y,z |
1_555 |
9 |
6 |
21138 |
55.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.214 |
180 |
|
[FE]M:701 |
1 |
1 |
137 |
cf |
M |
x,y,z |
1_555 |
9 |
6 |
20714 |
54.4 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.214 |
181 |
|
[FE]P:702 |
1 |
1 |
137 |
f |
P |
x,y,z |
1_555 |
8 |
5 |
20954 |
53.5 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.214 |
182 |
|
[FE]A:701 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
21892 |
53.2 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.214 |
183 |
|
[FE]D:702 |
1 |
1 |
137 |
cf |
D |
x,y,z |
1_555 |
8 |
5 |
21803 |
53.0 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.214 |
184 |
|
[FE]G:702 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
8 |
5 |
20603 |
52.8 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.214 |
185 |
|
[FE]B:701 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
21739 |
52.4 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.214 |
186 |
|
[FE]L:702 |
1 |
1 |
137 |
f |
L |
x,y,z |
1_555 |
9 |
6 |
21067 |
52.0 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.214 |
187 |
|
[FE]C:702 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
21934 |
51.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.214 |
188 |
|
[FE]I:701 |
1 |
1 |
137 |
f |
I |
x,y,z |
1_555 |
8 |
5 |
21637 |
51.6 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.214 |
189 |
|
[FE]K:702 |
1 |
1 |
137 |
f |
K |
x,y,z |
1_555 |
8 |
6 |
21661 |
50.4 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.214 |
| Average: |
53.9 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.214 |
| 43 |
190 |
|
O |
12 |
4 |
21138 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
5 |
2 |
21572 |
52.9 |
-0.7 |
0.360 |
0 |
0 |
0 |
0.000 |
| 44 |
191 |
|
[MG]M:702 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
11 |
7 |
20714 |
50.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.101 |
192 |
|
[MG]P:703 |
1 |
1 |
98 |
f |
P |
x,y,z |
1_555 |
11 |
7 |
20954 |
49.9 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.101 |
193 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
21892 |
44.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.101 |
194 |
|
[MG]D:703 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
21803 |
44.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.101 |
195 |
|
[MG]B:702 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
21739 |
44.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.101 |
196 |
|
[MG]C:703 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
21934 |
43.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.101 |
197 |
|
[MG]L:703 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
8 |
5 |
21067 |
43.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.101 |
198 |
|
[MG]I:702 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
8 |
5 |
21637 |
42.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.101 |
199 |
|
[MG]G:703 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
9 |
6 |
20603 |
40.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.101 |
200 |
|
[MG]K:703 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
10 |
7 |
21661 |
38.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.101 |
| Average: |
44.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.101 |
| 45 |
201 |
|
J |
6 |
2 |
21648 |
◊ |
L |
x-1,y,z |
1_455 |
3 |
2 |
21067 |
46.6 |
-0.3 |
0.251 |
0 |
0 |
0 |
0.000 |
| 46 |
202 |
|
[MG]O:703 |
1 |
1 |
98 |
f |
O |
x,y,z |
1_555 |
12 |
6 |
21138 |
46.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
203 |
|
[MG]D:704 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
21803 |
44.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
204 |
|
[MG]F:702 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
21125 |
44.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
205 |
|
[MG]N:702 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
12 |
6 |
21190 |
44.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
206 |
|
[MG]K:704 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
11 |
5 |
21661 |
43.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
207 |
|
[MG]H:703 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
10 |
5 |
22034 |
43.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
208 |
|
[MG]M:703 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
12 |
6 |
20714 |
42.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
209 |
|
[MG]I:703 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
9 |
4 |
21637 |
42.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
210 |
|
[MG]P:704 |
1 |
1 |
98 |
f |
P |
x,y,z |
1_555 |
10 |
6 |
20954 |
42.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
211 |
|
[MG]J:702 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
10 |
5 |
21648 |
42.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
212 |
|
[MG]A:703 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
21892 |
42.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
213 |
|
[MG]L:704 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
10 |
6 |
21067 |
42.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
214 |
|
[MG]G:704 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
10 |
4 |
20603 |
41.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
215 |
|
[MG]E:702 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
21572 |
41.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
216 |
|
[MG]B:703 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
21739 |
40.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
217 |
|
[MG]C:704 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
21934 |
40.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
42.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 47 |
218 |
|
I |
5 |
2 |
21637 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
21803 |
42.1 |
-0.4 |
0.425 |
0 |
0 |
0 |
0.000 |
| 48 |
219 |
|
[0KX]E:704 |
4 |
1 |
594 |
cf |
[FE]E:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
40.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.109 |
220 |
|
[0KX]C:706 |
6 |
1 |
600 |
cf |
[FE]C:702 |
x,y,z |
1_555 |
1 |
1 |
137 |
39.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.109 |
221 |
|
[0KX]O:705 |
4 |
1 |
595 |
cf |
[FE]O:702 |
x,y,z |
1_555 |
1 |
1 |
137 |
39.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.109 |
222 |
|
[0KX]F:704 |
5 |
1 |
586 |
cf |
[FE]F:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
38.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.109 |
223 |
|
[0KX]P:706 |
5 |
1 |
597 |
cf |
[FE]P:702 |
x,y,z |
1_555 |
1 |
1 |
137 |
38.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.109 |
224 |
|
[0KX]H:705 |
4 |
1 |
593 |
f |
[FE]H:702 |
x,y,z |
1_555 |
1 |
1 |
137 |
38.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.109 |
225 |
|
[0KX]D:706 |
6 |
1 |
586 |
cf |
[FE]D:702 |
x,y,z |
1_555 |
1 |
1 |
137 |
38.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.109 |
226 |
|
[0KX]L:706 |
5 |
1 |
583 |
cf |
[FE]L:702 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.109 |
227 |
|
[0KX]K:706 |
4 |
1 |
595 |
cf |
[FE]K:702 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.109 |
228 |
|
[0KX]J:704 |
4 |
1 |
593 |
f |
[FE]J:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.109 |
229 |
|
[0KX]N:704 |
4 |
1 |
589 |
f |
[FE]N:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.109 |
230 |
|
[0KX]B:705 |
5 |
1 |
597 |
cf |
[FE]B:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.109 |
231 |
|
[0KX]A:705 |
6 |
1 |
591 |
f |
[FE]A:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.109 |
232 |
|
[0KX]M:705 |
6 |
1 |
586 |
f |
[FE]M:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
36.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.109 |
233 |
|
[0KX]I:705 |
4 |
1 |
590 |
f |
[FE]I:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
36.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.109 |
234 |
|
[0KX]G:706 |
6 |
1 |
607 |
f |
[FE]G:702 |
x,y,z |
1_555 |
1 |
1 |
137 |
35.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.109 |
| Average: |
37.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.109 |
| 49 |
235 |
|
[0KX]C:706 |
3 |
1 |
600 |
f |
[MG]C:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
38.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.000 |
236 |
|
[0KX]B:705 |
4 |
1 |
597 |
f |
[MG]B:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
38.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
237 |
|
[0KX]J:704 |
3 |
1 |
593 |
f |
[MG]J:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
38.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
238 |
|
[0KX]G:706 |
3 |
1 |
607 |
f |
[MG]G:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
37.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
239 |
|
[0KX]I:705 |
4 |
1 |
590 |
f |
[MG]I:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
37.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
240 |
|
[0KX]A:705 |
4 |
1 |
591 |
f |
[MG]A:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
37.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
241 |
|
[0KX]P:706 |
2 |
1 |
597 |
f |
[MG]P:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
37.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
242 |
|
[0KX]K:706 |
2 |
1 |
595 |
f |
[MG]K:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
37.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
243 |
|
[0KX]H:705 |
3 |
1 |
593 |
f |
[MG]H:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
244 |
|
[0KX]E:704 |
3 |
1 |
594 |
f |
[MG]E:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
245 |
|
[0KX]F:704 |
3 |
1 |
586 |
f |
[MG]F:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
246 |
|
[0KX]D:706 |
3 |
1 |
586 |
f |
[MG]D:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
247 |
|
[0KX]M:705 |
5 |
1 |
586 |
f |
[MG]M:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
248 |
|
[0KX]O:705 |
3 |
1 |
595 |
f |
[MG]O:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
249 |
|
[0KX]N:704 |
3 |
1 |
589 |
f |
[MG]N:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
250 |
|
[0KX]L:706 |
4 |
1 |
583 |
f |
[MG]L:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
36.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 50 |
251 |
|
[GTP]O:707 |
4 |
1 |
589 |
f |
[MG]P:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.093 |
252 |
|
[GTP]F:705 |
5 |
1 |
585 |
f |
[MG]F:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.093 |
253 |
|
[GTP]N:705 |
4 |
1 |
593 |
f |
[MG]N:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.093 |
254 |
|
[GTP]O:706 |
5 |
1 |
580 |
f |
[MG]O:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.093 |
255 |
|
[GTP]B:706 |
5 |
1 |
586 |
f |
[MG]B:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.093 |
256 |
|
[GTP]G:707 |
7 |
1 |
589 |
f |
[MG]G:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.093 |
257 |
|
[GTP]L:707 |
5 |
1 |
593 |
f |
[MG]L:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.093 |
258 |
|
[GTP]H:706 |
5 |
1 |
587 |
f |
[MG]H:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.093 |
259 |
|
[GTP]K:707 |
5 |
1 |
583 |
f |
[MG]K:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.093 |
260 |
|
[GTP]J:705 |
4 |
1 |
588 |
f |
[MG]J:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.093 |
261 |
|
[GTP]I:706 |
4 |
1 |
588 |
f |
[MG]I:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.093 |
262 |
|
[GTP]D:707 |
4 |
1 |
586 |
f |
[MG]D:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.093 |
263 |
|
[GTP]A:706 |
4 |
1 |
598 |
f |
[MG]A:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.093 |
264 |
|
[GTP]M:706 |
5 |
1 |
596 |
f |
[MG]M:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.093 |
265 |
|
[GTP]C:707 |
4 |
1 |
587 |
f |
[MG]C:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.093 |
266 |
|
[GTP]E:705 |
6 |
1 |
584 |
f |
[MG]E:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.093 |
| Average: |
32.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.093 |
| 51 |
267 |
|
[GTP]A:706 |
5 |
1 |
598 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
21934 |
30.9 |
1.3 |
0.715 |
1 |
0 |
0 |
0.000 |
268 |
|
[GTP]M:706 |
5 |
1 |
596 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
21138 |
30.0 |
0.9 |
0.706 |
1 |
0 |
0 |
0.000 |
269 |
|
[GTP]J:705 |
5 |
1 |
588 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
21067 |
29.9 |
1.2 |
0.718 |
1 |
0 |
0 |
0.000 |
270 |
|
[GTP]G:707 |
5 |
1 |
589 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
21572 |
29.8 |
1.3 |
0.753 |
1 |
0 |
0 |
0.000 |
271 |
|
[GTP]B:706 |
5 |
1 |
586 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
21803 |
29.4 |
1.3 |
0.748 |
1 |
0 |
0 |
0.000 |
272 |
|
[GTP]E:705 |
5 |
1 |
584 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
20603 |
29.3 |
1.0 |
0.698 |
1 |
0 |
0 |
0.000 |
273 |
|
[GTP]O:707 |
7 |
1 |
589 |
◊ |
N |
x,y,z |
1_555 |
2 |
1 |
21190 |
29.0 |
1.3 |
0.764 |
1 |
0 |
0 |
0.000 |
274 |
|
[GTP]I:706 |
5 |
1 |
588 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
21661 |
29.0 |
1.3 |
0.751 |
1 |
0 |
0 |
0.000 |
275 |
|
[GTP]C:707 |
5 |
1 |
587 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
21892 |
28.8 |
1.3 |
0.720 |
1 |
0 |
0 |
0.000 |
276 |
|
[GTP]F:705 |
4 |
1 |
585 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
22034 |
28.8 |
1.2 |
0.715 |
1 |
0 |
0 |
0.000 |
277 |
|
[GTP]L:707 |
5 |
1 |
593 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
21648 |
28.7 |
1.3 |
0.729 |
1 |
0 |
0 |
0.000 |
278 |
|
[GTP]D:707 |
4 |
1 |
586 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
21739 |
28.4 |
1.3 |
0.732 |
1 |
0 |
0 |
0.000 |
279 |
|
[GTP]H:706 |
4 |
1 |
587 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
21125 |
28.0 |
1.2 |
0.712 |
1 |
0 |
0 |
0.000 |
280 |
|
[GTP]K:707 |
4 |
1 |
583 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
21637 |
26.7 |
1.1 |
0.714 |
2 |
0 |
0 |
0.000 |
281 |
|
[GTP]N:705 |
5 |
1 |
593 |
◊ |
P |
x,y,z |
1_555 |
3 |
1 |
20954 |
23.5 |
0.9 |
0.727 |
1 |
0 |
0 |
0.000 |
282 |
|
[GTP]O:706 |
6 |
1 |
580 |
◊ |
M |
x,y,z |
1_555 |
3 |
1 |
20714 |
21.0 |
0.8 |
0.706 |
0 |
0 |
0 |
0.000 |
| Average: |
28.2 |
1.2 |
0.726 |
1 |
0 |
0 |
0.000 |
| 52 |
283 |
|
F |
2 |
1 |
21125 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
2 |
1 |
20603 |
28.6 |
-0.2 |
0.323 |
0 |
0 |
0 |
0.000 |
| 53 |
284 |
|
[DTP]B:708 |
4 |
1 |
607 |
f |
[MG]D:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.072 |
285 |
|
[DTP]A:708 |
4 |
1 |
613 |
f |
[MG]C:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.072 |
286 |
|
[DTP]G:701 |
4 |
1 |
611 |
f |
[MG]E:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.072 |
287 |
|
[DTP]F:706 |
6 |
1 |
601 |
f |
[MG]H:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.072 |
288 |
|
[DTP]O:701 |
4 |
1 |
613 |
f |
[MG]M:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.072 |
289 |
|
[DTP]M:708 |
4 |
1 |
609 |
f |
[MG]O:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.072 |
290 |
|
[DTP]C:701 |
3 |
1 |
607 |
f |
[MG]A:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.072 |
291 |
|
[DTP]J:707 |
2 |
1 |
608 |
f |
[MG]L:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.072 |
292 |
|
[DTP]P:701 |
3 |
1 |
612 |
f |
[MG]N:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.072 |
293 |
|
[DTP]I:708 |
3 |
1 |
595 |
f |
[MG]K:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.072 |
294 |
|
[DTP]K:701 |
4 |
1 |
608 |
f |
[MG]I:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.072 |
295 |
|
[DTP]D:701 |
3 |
1 |
610 |
f |
[MG]B:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.072 |
296 |
|
[DTP]E:706 |
4 |
1 |
612 |
f |
[MG]G:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.072 |
297 |
|
[DTP]H:701 |
2 |
1 |
607 |
f |
[MG]F:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.072 |
298 |
|
[DTP]L:701 |
3 |
1 |
609 |
f |
[MG]J:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.072 |
299 |
|
[DTP]N:706 |
4 |
1 |
606 |
f |
[MG]P:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.072 |
| Average: |
27.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.072 |
| 54 |
300 |
|
[0KX]C:706 |
7 |
1 |
600 |
f |
[MG]C:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.049 |
301 |
|
[0KX]I:705 |
6 |
1 |
590 |
f |
[MG]I:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.049 |
302 |
|
[0KX]K:706 |
7 |
1 |
595 |
f |
[MG]K:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.049 |
303 |
|
[0KX]G:706 |
6 |
1 |
607 |
f |
[MG]G:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.049 |
304 |
|
[0KX]D:706 |
7 |
1 |
586 |
f |
[MG]D:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.049 |
305 |
|
[0KX]L:706 |
7 |
1 |
583 |
f |
[MG]L:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.049 |
306 |
|
[0KX]B:705 |
6 |
1 |
597 |
f |
[MG]B:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.049 |
307 |
|
[0KX]A:705 |
6 |
1 |
591 |
f |
[MG]A:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.049 |
308 |
|
[0KX]P:706 |
6 |
1 |
597 |
f |
[MG]P:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.049 |
309 |
|
[0KX]M:705 |
5 |
1 |
586 |
f |
[MG]M:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.049 |
| Average: |
25.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.049 |
| 55 |
310 |
|
[MG]N:703 |
1 |
1 |
98 |
◊ |
N |
x,y,z |
1_555 |
4 |
1 |
21190 |
22.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.036 |
311 |
|
[MG]B:704 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
21739 |
21.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.036 |
312 |
|
[MG]O:704 |
1 |
1 |
98 |
◊ |
O |
x,y,z |
1_555 |
4 |
1 |
21138 |
21.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.036 |
313 |
|
[MG]J:703 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
4 |
1 |
21648 |
21.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.036 |
314 |
|
[MG]H:704 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
4 |
1 |
22034 |
20.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.036 |
315 |
|
[MG]G:705 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
4 |
1 |
20603 |
20.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.036 |
316 |
|
[MG]P:705 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
4 |
1 |
20954 |
20.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.036 |
317 |
|
[MG]K:705 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
4 |
1 |
21661 |
20.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.036 |
318 |
|
[MG]F:703 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
21125 |
20.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.036 |
319 |
|
[MG]I:704 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
4 |
1 |
21637 |
19.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.036 |
320 |
|
[MG]L:705 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
4 |
1 |
21067 |
19.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.036 |
321 |
|
[MG]M:704 |
1 |
1 |
98 |
◊ |
M |
x,y,z |
1_555 |
4 |
1 |
20714 |
18.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.036 |
322 |
|
[MG]C:705 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
21934 |
18.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.036 |
323 |
|
[MG]D:705 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
21803 |
18.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.036 |
324 |
|
[MG]E:703 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
21572 |
17.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.036 |
325 |
|
[MG]A:704 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
21892 |
17.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
19.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.036 |
| 56 |
326 |
|
E |
3 |
1 |
21572 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
21934 |
21.8 |
-0.5 |
0.179 |
0 |
0 |
0 |
0.000 |
| 57 |
327 |
|
M |
2 |
1 |
20714 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
22034 |
19.1 |
-0.1 |
0.290 |
0 |
0 |
0 |
0.000 |
| 58 |
328 |
|
M |
2 |
1 |
20714 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
20603 |
14.5 |
-0.3 |
0.352 |
0 |
0 |
0 |
0.000 |
| 59 |
329 |
|
[MG]K:703 |
1 |
1 |
98 |
f |
[FE]K:702 |
x,y,z |
1_555 |
1 |
1 |
137 |
13.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.022 |
| 60 |
330 |
|
[MG]A:704 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
21934 |
13.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
331 |
|
[MG]C:705 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
21892 |
11.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
332 |
|
[MG]J:703 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
21067 |
10.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
333 |
|
[MG]P:705 |
1 |
1 |
98 |
◊ |
N |
x,y,z |
1_555 |
2 |
1 |
21190 |
10.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
334 |
|
[MG]K:705 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
21637 |
10.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
335 |
|
[MG]M:704 |
1 |
1 |
98 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
21138 |
9.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
336 |
|
[MG]F:703 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
22034 |
9.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
337 |
|
[MG]D:705 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
21739 |
9.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
338 |
|
[MG]B:704 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
21803 |
9.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
339 |
|
[MG]G:705 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
21572 |
8.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
340 |
|
[MG]I:704 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
21661 |
8.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
341 |
|
[MG]E:703 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
20603 |
8.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.010 |
342 |
|
[MG]L:705 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
21648 |
7.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.010 |
343 |
|
[MG]H:704 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
21125 |
6.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.010 |
344 |
|
[MG]O:704 |
1 |
1 |
98 |
◊ |
M |
x,y,z |
1_555 |
2 |
1 |
20714 |
6.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.010 |
345 |
|
[MG]N:703 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
2 |
1 |
20954 |
4.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
8.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
| 61 |
346 |
|
[MG]G:703 |
1 |
1 |
98 |
f |
[FE]G:702 |
x,y,z |
1_555 |
1 |
1 |
137 |
13.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.024 |
| 62 |
347 |
|
[MG]L:703 |
1 |
1 |
98 |
f |
[FE]L:702 |
x,y,z |
1_555 |
1 |
1 |
137 |
11.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.016 |
| 63 |
348 |
|
[MG]I:702 |
1 |
1 |
98 |
f |
[FE]I:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
11.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.015 |
| 64 |
349 |
|
[MG]B:702 |
1 |
1 |
98 |
f |
[FE]B:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
11.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.014 |
| 65 |
350 |
|
[MG]C:703 |
1 |
1 |
98 |
f |
[FE]C:702 |
x,y,z |
1_555 |
1 |
1 |
137 |
10.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.014 |
| 66 |
351 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
[FE]A:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
9.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.013 |
| 67 |
352 |
|
[MG]D:703 |
1 |
1 |
98 |
f |
[FE]D:702 |
x,y,z |
1_555 |
1 |
1 |
137 |
9.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.012 |
| 68 |
353 |
|
[MG]P:703 |
1 |
1 |
98 |
f |
[FE]P:702 |
x,y,z |
1_555 |
1 |
1 |
137 |
6.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.011 |
| 69 |
354 |
|
[MG]M:702 |
1 |
1 |
98 |
f |
[FE]M:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
5.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.008 |
| 70 |
355 |
|
[MG]E:703 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
2 |
2 |
21125 |
2.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
356 |
|
[MG]L:705 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
1 |
1 |
21661 |
0.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
357 |
|
[MG]M:704 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
1 |
1 |
21190 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
358 |
|
[MG]I:704 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
1 |
1 |
21648 |
0.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
359 |
|
[MG]D:705 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
21934 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
| 71 |
360 |
|
M |
1 |
1 |
20714 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
21125 |
0.9 |
-0.0 |
0.524 |
0 |
0 |
0 |
0.000 |
| 72 |
361 |
|
K |
1 |
1 |
21661 |
◊ |
I |
-x+2,y-1/2,-z-1 |
2_744 |
1 |
1 |
21637 |
0.6 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
|