| ## |
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 |
216 |
61 |
21376 |
◊ |
J |
x,y,z |
1_555 |
215 |
60 |
21393 |
2024.5 |
-7.9 |
0.519 |
32 |
6 |
0 |
0.185 |
2 |
|
D |
213 |
60 |
21757 |
◊ |
A |
x,y,z |
1_555 |
214 |
60 |
21812 |
2017.5 |
-6.8 |
0.542 |
31 |
6 |
0 |
0.185 |
3 |
|
C |
209 |
59 |
21670 |
◊ |
B |
x,y,z |
1_555 |
212 |
60 |
21604 |
2008.5 |
-7.0 |
0.549 |
35 |
6 |
0 |
0.185 |
4 |
|
H |
209 |
60 |
21901 |
◊ |
E |
x,y,z |
1_555 |
207 |
58 |
21540 |
1993.2 |
-6.8 |
0.525 |
33 |
6 |
0 |
0.185 |
5 |
|
L |
204 |
59 |
21123 |
◊ |
I |
x,y,z |
1_555 |
200 |
57 |
21391 |
1952.9 |
-8.0 |
0.521 |
29 |
6 |
0 |
0.185 |
6 |
|
G |
210 |
59 |
21514 |
◊ |
F |
x,y,z |
1_555 |
207 |
58 |
21625 |
1938.7 |
-8.5 |
0.467 |
31 |
6 |
0 |
0.185 |
7 |
|
O |
195 |
57 |
21673 |
◊ |
N |
x,y,z |
1_555 |
201 |
60 |
21174 |
1869.7 |
-9.4 |
0.451 |
30 |
6 |
0 |
0.185 |
8 |
|
P |
190 |
58 |
21132 |
◊ |
M |
x,y,z |
1_555 |
199 |
59 |
20934 |
1845.9 |
-8.7 |
0.567 |
27 |
6 |
0 |
0.185 |
| Average: |
1956.4 |
-7.9 |
0.518 |
31 |
6 |
0 |
0.185 |
| 2 |
9 |
|
L |
195 |
51 |
21123 |
◊ |
K |
x,y,z |
1_555 |
191 |
50 |
21376 |
1775.7 |
-9.9 |
0.416 |
20 |
0 |
0 |
0.145 |
10 |
|
F |
197 |
51 |
21625 |
◊ |
E |
x,y,z |
1_555 |
194 |
50 |
21540 |
1773.5 |
-10.6 |
0.328 |
21 |
0 |
0 |
0.145 |
11 |
|
P |
191 |
51 |
21132 |
◊ |
O |
x,y,z |
1_555 |
196 |
50 |
21673 |
1767.7 |
-10.3 |
0.457 |
21 |
0 |
0 |
0.145 |
12 |
|
B |
197 |
50 |
21604 |
◊ |
A |
x,y,z |
1_555 |
188 |
50 |
21812 |
1759.4 |
-11.7 |
0.266 |
19 |
0 |
0 |
0.145 |
13 |
|
H |
193 |
50 |
21901 |
◊ |
G |
x,y,z |
1_555 |
194 |
51 |
21514 |
1740.7 |
-10.9 |
0.313 |
20 |
0 |
0 |
0.145 |
14 |
|
J |
192 |
50 |
21393 |
◊ |
I |
x,y,z |
1_555 |
194 |
49 |
21391 |
1738.7 |
-10.8 |
0.323 |
20 |
0 |
0 |
0.145 |
15 |
|
N |
194 |
50 |
21174 |
◊ |
M |
x,y,z |
1_555 |
188 |
50 |
20934 |
1738.1 |
-10.6 |
0.394 |
20 |
0 |
0 |
0.145 |
16 |
|
D |
183 |
50 |
21757 |
◊ |
C |
x,y,z |
1_555 |
191 |
49 |
21670 |
1701.9 |
-11.6 |
0.280 |
19 |
0 |
0 |
0.145 |
| Average: |
1749.5 |
-10.8 |
0.347 |
20 |
0 |
0 |
0.145 |
| 3 |
17 |
|
C |
48 |
15 |
21670 |
◊ |
A |
x,y,z |
1_555 |
49 |
15 |
21812 |
448.4 |
-2.5 |
0.431 |
0 |
4 |
0 |
0.024 |
18 |
|
D |
50 |
15 |
21757 |
◊ |
B |
x,y,z |
1_555 |
48 |
15 |
21604 |
442.0 |
-2.0 |
0.504 |
2 |
4 |
0 |
0.024 |
19 |
|
P |
46 |
14 |
21132 |
◊ |
N |
x,y,z |
1_555 |
48 |
14 |
21174 |
430.0 |
-1.8 |
0.548 |
1 |
3 |
0 |
0.024 |
20 |
|
O |
45 |
13 |
21673 |
◊ |
M |
x,y,z |
1_555 |
49 |
14 |
20934 |
424.8 |
-2.5 |
0.489 |
2 |
3 |
0 |
0.024 |
21 |
|
H |
46 |
14 |
21901 |
◊ |
F |
x,y,z |
1_555 |
46 |
15 |
21625 |
421.4 |
-3.3 |
0.348 |
0 |
2 |
0 |
0.024 |
22 |
|
G |
46 |
14 |
21514 |
◊ |
E |
x,y,z |
1_555 |
46 |
14 |
21540 |
414.5 |
-3.6 |
0.323 |
1 |
3 |
0 |
0.024 |
23 |
|
K |
45 |
13 |
21376 |
◊ |
I |
x,y,z |
1_555 |
44 |
13 |
21391 |
403.1 |
-1.2 |
0.556 |
1 |
3 |
0 |
0.024 |
24 |
|
L |
44 |
13 |
21123 |
◊ |
J |
x,y,z |
1_555 |
45 |
12 |
21393 |
397.2 |
-2.7 |
0.439 |
2 |
4 |
0 |
0.024 |
| Average: |
422.7 |
-2.4 |
0.455 |
1 |
3 |
0 |
0.024 |
| 4 |
25 |
|
[1FZ]H:705 |
28 |
1 |
628 |
f |
H |
x,y,z |
1_555 |
66 |
27 |
21901 |
435.8 |
-2.9 |
0.616 |
13 |
0 |
0 |
0.141 |
26 |
|
[1FZ]D:706 |
28 |
1 |
627 |
f |
D |
x,y,z |
1_555 |
66 |
26 |
21757 |
435.1 |
-2.7 |
0.628 |
11 |
0 |
0 |
0.141 |
27 |
|
[1FZ]G:705 |
28 |
1 |
622 |
f |
G |
x,y,z |
1_555 |
69 |
27 |
21514 |
434.6 |
-3.0 |
0.631 |
12 |
0 |
0 |
0.141 |
28 |
|
[1FZ]N:705 |
29 |
1 |
620 |
f |
N |
x,y,z |
1_555 |
68 |
26 |
21174 |
432.6 |
-3.1 |
0.639 |
11 |
0 |
0 |
0.141 |
29 |
|
[1FZ]L:705 |
29 |
1 |
626 |
f |
L |
x,y,z |
1_555 |
67 |
26 |
21123 |
431.3 |
-2.3 |
0.706 |
10 |
0 |
0 |
0.141 |
30 |
|
[1FZ]J:704 |
28 |
1 |
619 |
f |
J |
x,y,z |
1_555 |
67 |
24 |
21393 |
430.3 |
-2.5 |
0.683 |
10 |
0 |
0 |
0.141 |
31 |
|
[1FZ]E:704 |
29 |
1 |
614 |
f |
E |
x,y,z |
1_555 |
67 |
27 |
21540 |
430.1 |
-3.4 |
0.570 |
12 |
0 |
0 |
0.141 |
32 |
|
[1FZ]B:704 |
28 |
1 |
610 |
f |
B |
x,y,z |
1_555 |
70 |
27 |
21604 |
428.5 |
-2.6 |
0.602 |
11 |
0 |
0 |
0.141 |
33 |
|
[1FZ]I:704 |
28 |
1 |
615 |
f |
I |
x,y,z |
1_555 |
67 |
27 |
21391 |
428.3 |
-2.4 |
0.631 |
10 |
0 |
0 |
0.141 |
34 |
|
[1FZ]M:704 |
28 |
1 |
613 |
f |
M |
x,y,z |
1_555 |
65 |
26 |
20934 |
427.4 |
-2.9 |
0.648 |
12 |
0 |
0 |
0.141 |
35 |
|
[1FZ]K:705 |
29 |
1 |
615 |
f |
K |
x,y,z |
1_555 |
68 |
27 |
21376 |
427.4 |
-2.4 |
0.643 |
13 |
0 |
0 |
0.141 |
36 |
|
[1FZ]P:704 |
27 |
1 |
605 |
f |
P |
x,y,z |
1_555 |
68 |
27 |
21132 |
426.7 |
-3.4 |
0.628 |
11 |
0 |
0 |
0.141 |
37 |
|
[1FZ]O:704 |
29 |
1 |
610 |
f |
O |
x,y,z |
1_555 |
67 |
26 |
21673 |
425.7 |
-3.4 |
0.595 |
13 |
0 |
0 |
0.141 |
38 |
|
[1FZ]C:705 |
29 |
1 |
604 |
f |
C |
x,y,z |
1_555 |
65 |
26 |
21670 |
422.3 |
-3.0 |
0.627 |
13 |
0 |
0 |
0.141 |
39 |
|
[1FZ]A:704 |
28 |
1 |
606 |
f |
A |
x,y,z |
1_555 |
64 |
26 |
21812 |
421.7 |
-2.8 |
0.614 |
12 |
0 |
0 |
0.141 |
40 |
|
[1FZ]F:704 |
28 |
1 |
605 |
f |
F |
x,y,z |
1_555 |
66 |
25 |
21625 |
421.1 |
-2.7 |
0.659 |
12 |
0 |
0 |
0.141 |
| Average: |
428.7 |
-2.8 |
0.633 |
12 |
0 |
0 |
0.141 |
| 5 |
41 |
|
I |
31 |
9 |
21391 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
21812 |
322.5 |
-3.5 |
0.211 |
1 |
1 |
0 |
0.000 |
| 6 |
42 |
|
C |
32 |
12 |
21670 |
◊ |
B |
x-1,y,z |
1_455 |
34 |
11 |
21604 |
283.1 |
-0.1 |
0.640 |
2 |
1 |
0 |
0.000 |
| 7 |
43 |
|
D |
30 |
12 |
21757 |
◊ |
B |
x-1,y,z |
1_455 |
30 |
9 |
21604 |
268.6 |
-0.7 |
0.556 |
3 |
1 |
0 |
0.000 |
| 8 |
44 |
|
D |
34 |
9 |
21757 |
◊ |
A |
x-1,y,z |
1_455 |
30 |
10 |
21812 |
258.2 |
-0.1 |
0.555 |
0 |
2 |
0 |
0.000 |
| 9 |
45 |
|
N |
21 |
6 |
21174 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
33 |
9 |
21901 |
241.9 |
-4.3 |
0.101 |
1 |
0 |
0 |
0.000 |
| 10 |
46 |
|
E |
26 |
8 |
21540 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
26 |
9 |
21901 |
238.3 |
0.7 |
0.519 |
2 |
2 |
0 |
0.000 |
| 11 |
47 |
|
O |
25 |
9 |
21673 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
32 |
12 |
21625 |
238.3 |
-0.8 |
0.430 |
2 |
0 |
0 |
0.000 |
| 12 |
48 |
|
H |
24 |
6 |
21901 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
21812 |
234.1 |
-3.1 |
0.178 |
0 |
0 |
0 |
0.000 |
49 |
|
J |
24 |
8 |
21393 |
◊ |
C |
-x+1,y-1/2,-z-1 |
2_644 |
23 |
6 |
21670 |
221.9 |
-3.2 |
0.179 |
0 |
0 |
0 |
0.000 |
50 |
|
K |
20 |
5 |
21376 |
◊ |
B |
-x+1,y-1/2,-z-1 |
2_644 |
21 |
7 |
21604 |
200.0 |
-3.0 |
0.171 |
0 |
0 |
0 |
0.000 |
51 |
|
E |
21 |
7 |
21540 |
◊ |
D |
x,y,z |
1_555 |
21 |
5 |
21757 |
195.9 |
-2.8 |
0.207 |
0 |
0 |
0 |
0.000 |
| Average: |
213.0 |
-3.0 |
0.184 |
0 |
0 |
0 |
0.000 |
| 13 |
52 |
|
P |
29 |
10 |
21132 |
◊ |
I |
-x+1,y-1/2,-z-1 |
2_644 |
27 |
9 |
21391 |
225.2 |
-2.1 |
0.351 |
0 |
2 |
0 |
0.000 |
| 14 |
53 |
|
L |
31 |
10 |
21123 |
◊ |
C |
-x+1,y-1/2,-z-1 |
2_644 |
26 |
9 |
21670 |
224.7 |
-0.8 |
0.577 |
2 |
0 |
0 |
0.000 |
54 |
|
G |
23 |
8 |
21514 |
◊ |
D |
x,y,z |
1_555 |
23 |
8 |
21757 |
175.6 |
-0.9 |
0.518 |
0 |
0 |
0 |
0.000 |
55 |
|
K |
19 |
7 |
21376 |
◊ |
D |
-x+1,y-1/2,-z-1 |
2_644 |
20 |
8 |
21757 |
161.4 |
-0.6 |
0.543 |
1 |
0 |
0 |
0.000 |
56 |
|
H |
19 |
8 |
21901 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
21670 |
160.6 |
0.0 |
0.631 |
1 |
0 |
0 |
0.000 |
| Average: |
180.5 |
-0.5 |
0.567 |
1 |
0 |
0 |
0.000 |
| 15 |
57 |
|
P |
29 |
8 |
21132 |
◊ |
C |
x,y-1,z |
1_545 |
18 |
6 |
21670 |
213.8 |
-1.7 |
0.433 |
0 |
0 |
0 |
0.000 |
| 16 |
58 |
|
[GTP]D:702 |
26 |
1 |
583 |
f |
D |
x,y,z |
1_555 |
32 |
11 |
21757 |
211.5 |
-1.1 |
0.536 |
3 |
0 |
0 |
0.044 |
59 |
|
[GTP]G:706 |
26 |
1 |
583 |
f |
H |
x,y,z |
1_555 |
32 |
11 |
21901 |
208.0 |
-0.5 |
0.587 |
3 |
0 |
0 |
0.044 |
60 |
|
[GTP]N:706 |
25 |
1 |
587 |
f |
M |
x,y,z |
1_555 |
37 |
12 |
20934 |
207.8 |
-0.7 |
0.612 |
3 |
0 |
0 |
0.044 |
61 |
|
[GTP]H:706 |
26 |
1 |
587 |
f |
G |
x,y,z |
1_555 |
33 |
11 |
21514 |
207.2 |
-0.4 |
0.611 |
4 |
0 |
0 |
0.044 |
62 |
|
[GTP]I:707 |
26 |
1 |
587 |
f |
I |
x,y,z |
1_555 |
34 |
11 |
21391 |
204.8 |
-1.3 |
0.559 |
5 |
0 |
0 |
0.044 |
63 |
|
[GTP]O:705 |
28 |
1 |
598 |
f |
P |
x,y,z |
1_555 |
31 |
11 |
21132 |
204.5 |
-1.2 |
0.595 |
4 |
0 |
0 |
0.044 |
64 |
|
[GTP]E:705 |
26 |
1 |
581 |
f |
F |
x,y,z |
1_555 |
31 |
11 |
21625 |
203.6 |
0.3 |
0.619 |
3 |
0 |
0 |
0.044 |
65 |
|
[GTP]L:706 |
27 |
1 |
580 |
f |
K |
x,y,z |
1_555 |
30 |
11 |
21376 |
202.2 |
-0.2 |
0.598 |
3 |
0 |
0 |
0.044 |
66 |
|
[GTP]I:705 |
26 |
1 |
585 |
f |
J |
x,y,z |
1_555 |
32 |
11 |
21393 |
201.7 |
-0.6 |
0.587 |
4 |
0 |
0 |
0.044 |
67 |
|
[GTP]K:706 |
26 |
1 |
592 |
f |
L |
x,y,z |
1_555 |
32 |
11 |
21123 |
201.3 |
-0.4 |
0.603 |
3 |
0 |
0 |
0.044 |
68 |
|
[GTP]B:705 |
25 |
1 |
589 |
f |
A |
x,y,z |
1_555 |
31 |
11 |
21812 |
200.8 |
-0.3 |
0.593 |
3 |
0 |
0 |
0.044 |
69 |
|
[GTP]D:707 |
27 |
1 |
585 |
f |
C |
x,y,z |
1_555 |
31 |
11 |
21670 |
200.5 |
-0.8 |
0.605 |
4 |
0 |
0 |
0.044 |
70 |
|
[GTP]M:705 |
26 |
1 |
590 |
f |
N |
x,y,z |
1_555 |
33 |
12 |
21174 |
200.1 |
-0.2 |
0.631 |
4 |
0 |
0 |
0.044 |
71 |
|
[GTP]F:705 |
26 |
1 |
582 |
f |
E |
x,y,z |
1_555 |
30 |
11 |
21540 |
199.3 |
0.0 |
0.637 |
4 |
0 |
0 |
0.044 |
72 |
|
[GTP]A:705 |
25 |
1 |
585 |
f |
B |
x,y,z |
1_555 |
30 |
11 |
21604 |
197.5 |
-0.5 |
0.629 |
4 |
0 |
0 |
0.044 |
73 |
|
[GTP]P:705 |
25 |
1 |
591 |
f |
O |
x,y,z |
1_555 |
29 |
11 |
21673 |
191.6 |
-0.0 |
0.623 |
3 |
0 |
0 |
0.044 |
| Average: |
202.7 |
-0.5 |
0.602 |
4 |
0 |
0 |
0.044 |
| 17 |
74 |
|
[GTP]I:707 |
20 |
1 |
587 |
◊ |
J |
x,y,z |
1_555 |
22 |
11 |
21393 |
210.5 |
0.1 |
0.608 |
5 |
0 |
0 |
0.032 |
75 |
|
[GTP]K:706 |
21 |
1 |
592 |
◊ |
K |
x,y,z |
1_555 |
21 |
10 |
21376 |
209.0 |
0.5 |
0.620 |
6 |
0 |
0 |
0.032 |
76 |
|
[GTP]F:705 |
22 |
1 |
582 |
◊ |
F |
x,y,z |
1_555 |
21 |
11 |
21625 |
207.8 |
0.5 |
0.633 |
5 |
0 |
0 |
0.032 |
77 |
|
[GTP]D:707 |
20 |
1 |
585 |
◊ |
D |
x,y,z |
1_555 |
23 |
12 |
21757 |
207.7 |
0.3 |
0.630 |
5 |
0 |
0 |
0.032 |
78 |
|
[GTP]P:705 |
21 |
1 |
591 |
◊ |
P |
x,y,z |
1_555 |
23 |
11 |
21132 |
207.5 |
0.3 |
0.637 |
7 |
0 |
0 |
0.032 |
79 |
|
[GTP]H:706 |
21 |
1 |
587 |
◊ |
H |
x,y,z |
1_555 |
22 |
11 |
21901 |
207.4 |
0.2 |
0.593 |
5 |
0 |
0 |
0.032 |
80 |
|
[GTP]O:705 |
20 |
1 |
598 |
◊ |
O |
x,y,z |
1_555 |
21 |
11 |
21673 |
206.3 |
0.5 |
0.657 |
4 |
0 |
0 |
0.032 |
81 |
|
[GTP]M:705 |
23 |
1 |
590 |
◊ |
M |
x,y,z |
1_555 |
22 |
10 |
20934 |
205.3 |
0.1 |
0.636 |
6 |
0 |
0 |
0.032 |
82 |
|
[GTP]L:706 |
21 |
1 |
580 |
◊ |
L |
x,y,z |
1_555 |
22 |
11 |
21123 |
204.8 |
0.5 |
0.635 |
6 |
0 |
0 |
0.032 |
83 |
|
[GTP]N:706 |
21 |
1 |
587 |
◊ |
N |
x,y,z |
1_555 |
22 |
10 |
21174 |
203.2 |
0.8 |
0.699 |
6 |
0 |
0 |
0.032 |
84 |
|
[GTP]A:705 |
21 |
1 |
585 |
◊ |
A |
x,y,z |
1_555 |
22 |
11 |
21812 |
203.2 |
0.2 |
0.646 |
5 |
0 |
0 |
0.032 |
85 |
|
[GTP]I:705 |
21 |
1 |
585 |
◊ |
I |
x,y,z |
1_555 |
22 |
11 |
21391 |
202.1 |
0.2 |
0.622 |
5 |
0 |
0 |
0.032 |
86 |
|
[GTP]E:705 |
20 |
1 |
581 |
◊ |
E |
x,y,z |
1_555 |
21 |
11 |
21540 |
201.5 |
0.4 |
0.614 |
5 |
0 |
0 |
0.032 |
87 |
|
[GTP]B:705 |
21 |
1 |
589 |
◊ |
B |
x,y,z |
1_555 |
19 |
10 |
21604 |
201.5 |
0.6 |
0.632 |
6 |
0 |
0 |
0.032 |
88 |
|
[GTP]G:706 |
23 |
1 |
583 |
◊ |
G |
x,y,z |
1_555 |
21 |
11 |
21514 |
199.2 |
0.9 |
0.662 |
6 |
0 |
0 |
0.032 |
89 |
|
[GTP]D:702 |
21 |
1 |
583 |
◊ |
C |
x,y,z |
1_555 |
20 |
10 |
21670 |
198.4 |
0.4 |
0.631 |
6 |
0 |
0 |
0.032 |
| Average: |
204.7 |
0.4 |
0.635 |
6 |
0 |
0 |
0.032 |
| 18 |
90 |
|
[DTP]M:706 |
25 |
1 |
609 |
f |
M |
x,y,z |
1_555 |
24 |
9 |
20934 |
197.5 |
0.4 |
0.536 |
4 |
0 |
0 |
0.023 |
91 |
|
[DTP]M:707 |
21 |
1 |
610 |
f |
P |
x,y,z |
1_555 |
24 |
9 |
21132 |
195.6 |
0.9 |
0.606 |
4 |
0 |
0 |
0.023 |
92 |
|
[DTP]L:701 |
22 |
1 |
603 |
f |
I |
x,y,z |
1_555 |
24 |
9 |
21391 |
194.0 |
-0.6 |
0.367 |
3 |
0 |
0 |
0.023 |
93 |
|
[DTP]K:701 |
23 |
1 |
609 |
f |
J |
x,y,z |
1_555 |
23 |
9 |
21393 |
193.8 |
0.7 |
0.550 |
4 |
0 |
0 |
0.023 |
94 |
|
[DTP]N:701 |
23 |
1 |
596 |
f |
N |
x,y,z |
1_555 |
24 |
9 |
21174 |
193.0 |
1.0 |
0.573 |
4 |
0 |
0 |
0.023 |
95 |
|
[DTP]G:701 |
21 |
1 |
593 |
f |
F |
x,y,z |
1_555 |
24 |
9 |
21625 |
191.5 |
1.3 |
0.590 |
3 |
0 |
0 |
0.023 |
96 |
|
[DTP]A:706 |
23 |
1 |
599 |
f |
D |
x,y,z |
1_555 |
24 |
9 |
21757 |
191.2 |
0.5 |
0.528 |
5 |
0 |
0 |
0.023 |
97 |
|
[DTP]I:708 |
22 |
1 |
599 |
f |
L |
x,y,z |
1_555 |
23 |
9 |
21123 |
190.7 |
1.0 |
0.598 |
3 |
0 |
0 |
0.023 |
98 |
|
[DTP]J:706 |
21 |
1 |
588 |
f |
K |
x,y,z |
1_555 |
24 |
9 |
21376 |
190.5 |
0.8 |
0.566 |
4 |
0 |
0 |
0.023 |
99 |
|
[DTP]D:701 |
22 |
1 |
600 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
21812 |
189.3 |
0.6 |
0.536 |
3 |
0 |
0 |
0.023 |
100 |
|
[DTP]E:707 |
22 |
1 |
593 |
f |
H |
x,y,z |
1_555 |
24 |
9 |
21901 |
189.2 |
0.9 |
0.550 |
4 |
0 |
0 |
0.023 |
101 |
|
[DTP]C:701 |
22 |
1 |
597 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
21604 |
188.1 |
0.4 |
0.536 |
3 |
0 |
0 |
0.023 |
102 |
|
[DTP]B:707 |
20 |
1 |
599 |
f |
C |
x,y,z |
1_555 |
24 |
9 |
21670 |
187.9 |
0.4 |
0.546 |
5 |
0 |
0 |
0.023 |
103 |
|
[DTP]N:708 |
21 |
1 |
595 |
f |
O |
x,y,z |
1_555 |
24 |
9 |
21673 |
187.5 |
0.7 |
0.574 |
3 |
0 |
0 |
0.023 |
104 |
|
[DTP]H:701 |
23 |
1 |
594 |
f |
E |
x,y,z |
1_555 |
24 |
9 |
21540 |
187.3 |
0.5 |
0.524 |
3 |
0 |
0 |
0.023 |
105 |
|
[DTP]F:707 |
23 |
1 |
591 |
f |
G |
x,y,z |
1_555 |
24 |
9 |
21514 |
185.7 |
1.0 |
0.574 |
3 |
0 |
0 |
0.023 |
| Average: |
190.8 |
0.6 |
0.547 |
4 |
0 |
0 |
0.023 |
| 19 |
106 |
|
G |
19 |
7 |
21514 |
◊ |
A |
x-1,y,z |
1_455 |
25 |
10 |
21812 |
187.8 |
-0.6 |
0.540 |
0 |
0 |
0 |
0.000 |
| 20 |
107 |
|
[DTP]M:707 |
22 |
1 |
610 |
◊ |
M |
x,y,z |
1_555 |
20 |
7 |
20934 |
179.6 |
3.0 |
0.708 |
7 |
0 |
0 |
0.012 |
108 |
|
[DTP]A:706 |
20 |
1 |
599 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
21812 |
176.7 |
3.6 |
0.712 |
8 |
0 |
0 |
0.012 |
109 |
|
[DTP]I:708 |
20 |
1 |
599 |
◊ |
I |
x,y,z |
1_555 |
18 |
7 |
21391 |
175.4 |
3.3 |
0.726 |
9 |
0 |
0 |
0.012 |
110 |
|
[DTP]D:701 |
21 |
1 |
600 |
◊ |
D |
x,y,z |
1_555 |
18 |
7 |
21757 |
174.9 |
3.2 |
0.694 |
7 |
0 |
0 |
0.012 |
111 |
|
[DTP]J:706 |
19 |
1 |
588 |
◊ |
J |
x,y,z |
1_555 |
17 |
7 |
21393 |
172.2 |
3.3 |
0.726 |
9 |
0 |
0 |
0.012 |
112 |
|
[DTP]B:707 |
19 |
1 |
599 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
21604 |
171.9 |
3.3 |
0.714 |
8 |
0 |
0 |
0.012 |
113 |
|
[DTP]N:708 |
20 |
1 |
595 |
◊ |
N |
x,y,z |
1_555 |
20 |
7 |
21174 |
171.7 |
3.4 |
0.720 |
8 |
0 |
0 |
0.012 |
114 |
|
[DTP]L:701 |
20 |
1 |
603 |
◊ |
L |
x,y,z |
1_555 |
20 |
7 |
21123 |
168.9 |
3.1 |
0.712 |
9 |
0 |
0 |
0.012 |
115 |
|
[DTP]C:701 |
20 |
1 |
597 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
21670 |
168.5 |
3.6 |
0.732 |
8 |
0 |
0 |
0.012 |
116 |
|
[DTP]H:701 |
19 |
1 |
594 |
◊ |
H |
x,y,z |
1_555 |
19 |
7 |
21901 |
167.8 |
3.7 |
0.732 |
9 |
0 |
0 |
0.012 |
117 |
|
[DTP]E:707 |
19 |
1 |
593 |
◊ |
E |
x,y,z |
1_555 |
20 |
7 |
21540 |
167.4 |
3.0 |
0.673 |
10 |
0 |
0 |
0.012 |
118 |
|
[DTP]F:707 |
20 |
1 |
591 |
◊ |
F |
x,y,z |
1_555 |
20 |
7 |
21625 |
165.9 |
3.2 |
0.683 |
9 |
0 |
0 |
0.012 |
| Average: |
171.7 |
3.3 |
0.711 |
8 |
0 |
0 |
0.012 |
| 21 |
119 |
|
[DTP]K:701 |
21 |
1 |
609 |
◊ |
K |
x,y,z |
1_555 |
19 |
7 |
21376 |
171.9 |
3.0 |
0.688 |
8 |
0 |
0 |
0.007 |
120 |
|
[DTP]G:701 |
21 |
1 |
593 |
◊ |
G |
x,y,z |
1_555 |
18 |
7 |
21514 |
168.6 |
2.7 |
0.636 |
8 |
0 |
0 |
0.007 |
121 |
|
[DTP]M:706 |
20 |
1 |
609 |
◊ |
P |
x,y,z |
1_555 |
19 |
7 |
21132 |
166.0 |
2.3 |
0.654 |
6 |
0 |
0 |
0.007 |
122 |
|
[DTP]N:701 |
20 |
1 |
596 |
◊ |
O |
x,y,z |
1_555 |
19 |
7 |
21673 |
160.4 |
2.2 |
0.634 |
7 |
0 |
0 |
0.007 |
| Average: |
166.7 |
2.6 |
0.653 |
7 |
0 |
0 |
0.007 |
| 22 |
123 |
|
M |
19 |
6 |
20934 |
◊ |
J |
x,y,z |
1_555 |
23 |
6 |
21393 |
171.0 |
-3.7 |
0.145 |
0 |
0 |
0 |
0.000 |
| 23 |
124 |
|
N |
18 |
6 |
21174 |
◊ |
A |
x-1,y,z |
1_455 |
22 |
7 |
21812 |
168.6 |
-2.0 |
0.320 |
2 |
0 |
0 |
0.000 |
| 24 |
125 |
|
L |
18 |
6 |
21123 |
◊ |
I |
-x+2,y-1/2,-z-1 |
2_744 |
21 |
9 |
21391 |
162.4 |
-2.4 |
0.240 |
0 |
0 |
0 |
0.000 |
| 25 |
126 |
|
F |
20 |
6 |
21625 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
14 |
5 |
21604 |
153.9 |
-3.6 |
0.078 |
0 |
0 |
0 |
0.000 |
| 26 |
127 |
|
K |
17 |
6 |
21376 |
◊ |
J |
-x+1,y-1/2,-z-1 |
2_644 |
16 |
7 |
21393 |
153.8 |
-0.1 |
0.462 |
0 |
0 |
0 |
0.000 |
| 27 |
128 |
|
F |
25 |
11 |
21625 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
21 |
7 |
21670 |
148.5 |
0.4 |
0.684 |
0 |
0 |
0 |
0.000 |
| 28 |
129 |
|
O |
15 |
6 |
21673 |
◊ |
B |
x-1,y-1,z |
1_445 |
17 |
5 |
21604 |
126.0 |
-0.9 |
0.455 |
0 |
0 |
0 |
0.000 |
| 29 |
130 |
|
J |
12 |
6 |
21393 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
21757 |
120.9 |
-0.5 |
0.517 |
1 |
0 |
0 |
0.000 |
| 30 |
131 |
|
N |
13 |
6 |
21174 |
◊ |
K |
x-1,y,z |
1_455 |
19 |
8 |
21376 |
116.8 |
0.9 |
0.750 |
0 |
0 |
0 |
0.000 |
| 31 |
132 |
|
J |
16 |
7 |
21393 |
◊ |
L |
x-1,y,z |
1_455 |
10 |
6 |
21123 |
111.4 |
-0.4 |
0.353 |
0 |
0 |
0 |
0.000 |
| 32 |
133 |
|
[DTP]H:701 |
12 |
1 |
594 |
◊ |
F |
x,y,z |
1_555 |
17 |
5 |
21625 |
109.4 |
-0.1 |
0.453 |
1 |
0 |
0 |
0.007 |
134 |
|
[DTP]J:706 |
12 |
1 |
588 |
◊ |
L |
x,y,z |
1_555 |
17 |
5 |
21123 |
108.0 |
-0.0 |
0.490 |
1 |
0 |
0 |
0.007 |
135 |
|
[DTP]N:701 |
13 |
1 |
596 |
◊ |
M |
x,y,z |
1_555 |
17 |
5 |
20934 |
107.7 |
0.2 |
0.493 |
1 |
0 |
0 |
0.007 |
136 |
|
[DTP]F:707 |
12 |
1 |
591 |
◊ |
H |
x,y,z |
1_555 |
16 |
5 |
21901 |
107.4 |
0.2 |
0.469 |
1 |
0 |
0 |
0.007 |
137 |
|
[DTP]G:701 |
13 |
1 |
593 |
◊ |
E |
x,y,z |
1_555 |
17 |
5 |
21540 |
107.3 |
0.2 |
0.473 |
1 |
0 |
0 |
0.007 |
138 |
|
[DTP]K:701 |
13 |
1 |
609 |
◊ |
I |
x,y,z |
1_555 |
16 |
5 |
21391 |
106.8 |
0.0 |
0.452 |
1 |
0 |
0 |
0.007 |
139 |
|
[DTP]I:708 |
12 |
1 |
599 |
◊ |
K |
x,y,z |
1_555 |
17 |
5 |
21376 |
106.0 |
0.1 |
0.484 |
1 |
0 |
0 |
0.007 |
140 |
|
[DTP]B:707 |
13 |
1 |
599 |
◊ |
D |
x,y,z |
1_555 |
16 |
5 |
21757 |
105.9 |
-0.1 |
0.454 |
1 |
0 |
0 |
0.007 |
141 |
|
[DTP]C:701 |
12 |
1 |
597 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
21812 |
105.3 |
-0.2 |
0.439 |
1 |
0 |
0 |
0.007 |
142 |
|
[DTP]L:701 |
12 |
1 |
603 |
◊ |
J |
x,y,z |
1_555 |
16 |
5 |
21393 |
105.1 |
-0.1 |
0.467 |
1 |
0 |
0 |
0.007 |
143 |
|
[DTP]N:708 |
11 |
1 |
595 |
◊ |
P |
x,y,z |
1_555 |
17 |
5 |
21132 |
104.9 |
0.1 |
0.509 |
1 |
0 |
0 |
0.007 |
144 |
|
[DTP]M:707 |
11 |
1 |
610 |
◊ |
O |
x,y,z |
1_555 |
16 |
5 |
21673 |
103.1 |
0.1 |
0.486 |
1 |
0 |
0 |
0.007 |
145 |
|
[DTP]E:707 |
12 |
1 |
593 |
◊ |
G |
x,y,z |
1_555 |
16 |
5 |
21514 |
102.2 |
0.1 |
0.472 |
1 |
0 |
0 |
0.007 |
146 |
|
[DTP]M:706 |
11 |
1 |
609 |
◊ |
N |
x,y,z |
1_555 |
16 |
5 |
21174 |
101.6 |
0.1 |
0.486 |
1 |
0 |
0 |
0.007 |
147 |
|
[DTP]D:701 |
12 |
1 |
600 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
21604 |
99.2 |
0.1 |
0.465 |
1 |
0 |
0 |
0.007 |
148 |
|
[DTP]A:706 |
12 |
1 |
599 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
21670 |
98.7 |
0.1 |
0.478 |
1 |
0 |
0 |
0.007 |
| Average: |
104.9 |
0.1 |
0.473 |
1 |
0 |
0 |
0.007 |
| 33 |
149 |
|
N |
7 |
4 |
21174 |
◊ |
F |
x,y,z |
1_555 |
13 |
4 |
21625 |
108.3 |
-1.3 |
0.312 |
0 |
0 |
0 |
0.000 |
| 34 |
150 |
|
[SO4]H:707 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
17 |
6 |
21901 |
108.1 |
-14.7 |
0.893 |
5 |
0 |
0 |
0.121 |
| 35 |
151 |
|
[SO4]N:707 |
5 |
1 |
187 |
f |
N |
x,y,z |
1_555 |
18 |
8 |
21174 |
108.0 |
-11.9 |
0.946 |
2 |
0 |
0 |
0.094 |
| 36 |
152 |
|
[SO4]F:706 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
18 |
6 |
21625 |
107.4 |
-14.0 |
0.862 |
5 |
0 |
0 |
0.123 |
| 37 |
153 |
|
[SO4]I:706 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
14 |
6 |
21391 |
101.1 |
-12.8 |
0.890 |
3 |
0 |
0 |
0.108 |
| 38 |
154 |
|
[DTP]M:706 |
12 |
1 |
609 |
f |
[GTP]N:706 |
x,y,z |
1_555 |
13 |
1 |
587 |
99.2 |
-1.8 |
0.363 |
0 |
0 |
0 |
0.039 |
155 |
|
[DTP]D:701 |
12 |
1 |
600 |
f |
[GTP]B:705 |
x,y,z |
1_555 |
12 |
1 |
589 |
98.6 |
-2.1 |
0.316 |
0 |
0 |
0 |
0.039 |
156 |
|
[DTP]K:701 |
12 |
1 |
609 |
f |
[GTP]I:705 |
x,y,z |
1_555 |
13 |
1 |
585 |
97.3 |
-1.9 |
0.342 |
0 |
0 |
0 |
0.039 |
157 |
|
[DTP]C:701 |
12 |
1 |
597 |
f |
[GTP]A:705 |
x,y,z |
1_555 |
11 |
1 |
585 |
96.9 |
-2.2 |
0.317 |
0 |
0 |
0 |
0.039 |
158 |
|
[DTP]M:707 |
10 |
1 |
610 |
f |
[GTP]O:705 |
x,y,z |
1_555 |
12 |
1 |
598 |
96.6 |
-2.7 |
0.286 |
0 |
0 |
0 |
0.039 |
159 |
|
[DTP]E:707 |
13 |
1 |
593 |
f |
[GTP]G:706 |
x,y,z |
1_555 |
11 |
1 |
583 |
95.0 |
-2.2 |
0.305 |
0 |
0 |
0 |
0.039 |
160 |
|
[DTP]F:707 |
13 |
1 |
591 |
f |
[GTP]H:706 |
x,y,z |
1_555 |
13 |
1 |
587 |
94.4 |
-2.1 |
0.329 |
0 |
0 |
0 |
0.039 |
161 |
|
[DTP]N:708 |
12 |
1 |
595 |
f |
[GTP]P:705 |
x,y,z |
1_555 |
13 |
1 |
591 |
94.2 |
-2.0 |
0.337 |
0 |
0 |
0 |
0.039 |
162 |
|
[DTP]I:708 |
11 |
1 |
599 |
f |
[GTP]K:706 |
x,y,z |
1_555 |
13 |
1 |
592 |
93.8 |
-2.9 |
0.269 |
0 |
0 |
0 |
0.039 |
163 |
|
[DTP]G:701 |
11 |
1 |
593 |
f |
[GTP]E:705 |
x,y,z |
1_555 |
13 |
1 |
581 |
93.8 |
-2.0 |
0.313 |
0 |
0 |
0 |
0.039 |
164 |
|
[DTP]B:707 |
10 |
1 |
599 |
f |
[GTP]D:707 |
x,y,z |
1_555 |
11 |
1 |
585 |
93.7 |
-2.1 |
0.317 |
0 |
0 |
0 |
0.039 |
165 |
|
[DTP]L:701 |
13 |
1 |
603 |
f |
[GTP]I:707 |
x,y,z |
1_555 |
12 |
1 |
587 |
92.9 |
-1.7 |
0.374 |
0 |
0 |
0 |
0.039 |
166 |
|
[DTP]H:701 |
10 |
1 |
594 |
f |
[GTP]F:705 |
x,y,z |
1_555 |
11 |
1 |
582 |
92.4 |
-2.5 |
0.270 |
0 |
0 |
0 |
0.039 |
167 |
|
[DTP]A:706 |
12 |
1 |
599 |
f |
[GTP]D:702 |
x,y,z |
1_555 |
13 |
1 |
583 |
92.2 |
-2.1 |
0.326 |
0 |
0 |
0 |
0.039 |
168 |
|
[DTP]J:706 |
12 |
1 |
588 |
f |
[GTP]L:706 |
x,y,z |
1_555 |
11 |
1 |
580 |
88.7 |
-2.5 |
0.280 |
0 |
0 |
0 |
0.039 |
| Average: |
94.6 |
-2.2 |
0.316 |
0 |
0 |
0 |
0.039 |
| 39 |
169 |
|
P |
17 |
7 |
21132 |
◊ |
L |
-x+1,y-1/2,-z-1 |
2_644 |
9 |
5 |
21123 |
99.2 |
-0.6 |
0.547 |
0 |
0 |
0 |
0.000 |
| 40 |
170 |
|
[SO4]K:707 |
5 |
1 |
186 |
f |
K |
x,y,z |
1_555 |
17 |
6 |
21376 |
98.5 |
-13.9 |
0.855 |
3 |
0 |
0 |
0.112 |
| 41 |
171 |
|
[SO4]E:706 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
18 |
6 |
21540 |
98.2 |
-12.6 |
0.929 |
3 |
0 |
0 |
0.093 |
| 42 |
172 |
|
[SO4]C:706 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
21670 |
96.1 |
-12.8 |
0.937 |
5 |
0 |
0 |
0.100 |
| 43 |
173 |
|
[SO4]J:705 |
5 |
1 |
187 |
f |
J |
x,y,z |
1_555 |
14 |
6 |
21393 |
95.8 |
-13.9 |
0.874 |
6 |
0 |
0 |
0.111 |
| 44 |
174 |
|
[SO4]B:706 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
21604 |
95.2 |
-13.7 |
0.887 |
7 |
0 |
0 |
0.121 |
| 45 |
175 |
|
[DTP]N:701 |
13 |
1 |
596 |
f |
[GTP]M:705 |
x,y,z |
1_555 |
12 |
1 |
590 |
95.2 |
-1.8 |
0.347 |
0 |
0 |
0 |
0.013 |
| 46 |
176 |
|
[SO4]D:708 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
21757 |
93.9 |
-13.6 |
0.868 |
6 |
0 |
0 |
0.124 |
| 47 |
177 |
|
[SO4]O:706 |
5 |
1 |
186 |
f |
O |
x,y,z |
1_555 |
14 |
5 |
21673 |
88.4 |
-10.9 |
0.942 |
4 |
0 |
0 |
0.093 |
| 48 |
178 |
|
O |
16 |
4 |
21673 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
11 |
5 |
21540 |
83.4 |
-0.9 |
0.370 |
0 |
0 |
0 |
0.000 |
| 49 |
179 |
|
F |
8 |
3 |
21625 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
5 |
3 |
21514 |
60.8 |
-0.6 |
0.285 |
0 |
0 |
0 |
0.000 |
| 50 |
180 |
|
[FE]N:702 |
1 |
1 |
137 |
cf |
N |
x,y,z |
1_555 |
9 |
5 |
21174 |
56.8 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.181 |
181 |
|
[FE]D:703 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
21757 |
56.5 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.181 |
182 |
|
[FE]L:702 |
1 |
1 |
137 |
f |
L |
x,y,z |
1_555 |
10 |
5 |
21123 |
56.3 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.181 |
183 |
|
[FE]K:702 |
1 |
1 |
137 |
cf |
K |
x,y,z |
1_555 |
8 |
5 |
21376 |
56.2 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.181 |
184 |
|
[FE]M:701 |
1 |
1 |
137 |
cf |
M |
x,y,z |
1_555 |
10 |
6 |
20934 |
56.2 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.181 |
185 |
|
[FE]F:701 |
1 |
1 |
137 |
cf |
F |
x,y,z |
1_555 |
10 |
6 |
21625 |
56.2 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.181 |
186 |
|
[FE]H:702 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
10 |
7 |
21901 |
55.7 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.181 |
187 |
|
[FE]B:701 |
1 |
1 |
137 |
cf |
B |
x,y,z |
1_555 |
9 |
6 |
21604 |
55.6 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.181 |
188 |
|
[FE]O:701 |
1 |
1 |
137 |
cf |
O |
x,y,z |
1_555 |
9 |
6 |
21673 |
55.6 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.181 |
189 |
|
[FE]I:701 |
1 |
1 |
137 |
cf |
I |
x,y,z |
1_555 |
10 |
7 |
21391 |
55.5 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.181 |
190 |
|
[FE]J:701 |
1 |
1 |
137 |
cf |
J |
x,y,z |
1_555 |
8 |
5 |
21393 |
55.4 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.181 |
191 |
|
[FE]A:701 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
21812 |
55.3 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.181 |
192 |
|
[FE]E:701 |
1 |
1 |
137 |
cf |
E |
x,y,z |
1_555 |
9 |
6 |
21540 |
55.2 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.181 |
193 |
|
[FE]P:701 |
1 |
1 |
137 |
f |
P |
x,y,z |
1_555 |
10 |
6 |
21132 |
54.7 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.181 |
194 |
|
[FE]G:702 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
9 |
6 |
21514 |
54.4 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.181 |
195 |
|
[FE]C:702 |
1 |
1 |
137 |
cf |
C |
x,y,z |
1_555 |
8 |
6 |
21670 |
53.8 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.181 |
| Average: |
55.6 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.181 |
| 51 |
196 |
|
M |
8 |
3 |
20934 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
21514 |
53.8 |
-0.4 |
0.464 |
0 |
0 |
0 |
0.000 |
| 52 |
197 |
|
[MG]E:702 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
21540 |
49.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.080 |
198 |
|
[MG]H:703 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
9 |
5 |
21901 |
46.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.080 |
199 |
|
[MG]I:702 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
9 |
5 |
21391 |
46.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.080 |
200 |
|
[MG]L:703 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
10 |
6 |
21123 |
45.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.080 |
201 |
|
[MG]P:702 |
1 |
1 |
98 |
f |
P |
x,y,z |
1_555 |
10 |
7 |
21132 |
45.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.080 |
202 |
|
[MG]K:703 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
9 |
5 |
21376 |
45.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.080 |
203 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
21812 |
45.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.080 |
204 |
|
[MG]O:702 |
1 |
1 |
98 |
f |
O |
x,y,z |
1_555 |
8 |
4 |
21673 |
45.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.080 |
205 |
|
[MG]D:704 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
21757 |
45.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.080 |
206 |
|
[MG]C:703 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
21670 |
44.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.080 |
207 |
|
[MG]J:702 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
9 |
5 |
21393 |
44.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.080 |
208 |
|
[MG]N:703 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
9 |
5 |
21174 |
44.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.080 |
209 |
|
[MG]B:702 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
21604 |
44.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.080 |
210 |
|
[MG]G:703 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
8 |
4 |
21514 |
43.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.080 |
211 |
|
[MG]M:702 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
9 |
6 |
20934 |
42.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.080 |
212 |
|
[MG]F:702 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
5 |
21625 |
42.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.080 |
| Average: |
45.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.080 |
| 53 |
213 |
|
M |
8 |
3 |
20934 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
3 |
3 |
21901 |
47.1 |
-0.1 |
0.467 |
0 |
0 |
0 |
0.000 |
| 54 |
214 |
|
I |
7 |
4 |
21391 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
21757 |
42.3 |
-0.8 |
0.377 |
0 |
0 |
0 |
0.000 |
| 55 |
215 |
|
K |
3 |
1 |
21376 |
◊ |
I |
-x+2,y-1/2,-z-1 |
2_744 |
8 |
4 |
21391 |
40.7 |
-0.3 |
0.489 |
0 |
0 |
0 |
0.000 |
| 56 |
216 |
|
[1FZ]L:705 |
4 |
1 |
626 |
cf |
[FE]L:702 |
x,y,z |
1_555 |
1 |
1 |
137 |
40.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.088 |
217 |
|
[1FZ]H:705 |
5 |
1 |
628 |
cf |
[FE]H:702 |
x,y,z |
1_555 |
1 |
1 |
137 |
40.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.088 |
218 |
|
[1FZ]I:704 |
4 |
1 |
615 |
f |
[FE]I:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
40.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.088 |
219 |
|
[1FZ]C:705 |
4 |
1 |
604 |
f |
[FE]C:702 |
x,y,z |
1_555 |
1 |
1 |
137 |
39.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.088 |
220 |
|
[1FZ]J:704 |
5 |
1 |
619 |
cf |
[FE]J:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
39.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.088 |
221 |
|
[1FZ]D:706 |
4 |
1 |
627 |
cf |
[FE]D:703 |
x,y,z |
1_555 |
1 |
1 |
137 |
39.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.088 |
222 |
|
[1FZ]A:704 |
4 |
1 |
606 |
f |
[FE]A:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
38.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.088 |
223 |
|
[1FZ]F:704 |
4 |
1 |
605 |
f |
[FE]F:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
38.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.088 |
224 |
|
[1FZ]M:704 |
4 |
1 |
613 |
f |
[FE]M:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.088 |
225 |
|
[1FZ]G:705 |
4 |
1 |
622 |
f |
[FE]G:702 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.088 |
226 |
|
[1FZ]P:704 |
4 |
1 |
605 |
f |
[FE]P:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.088 |
227 |
|
[1FZ]K:705 |
4 |
1 |
615 |
f |
[FE]K:702 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.088 |
228 |
|
[1FZ]E:704 |
4 |
1 |
614 |
f |
[FE]E:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
36.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.088 |
229 |
|
[1FZ]O:704 |
4 |
1 |
610 |
f |
[FE]O:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
36.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.088 |
230 |
|
[1FZ]N:705 |
6 |
1 |
620 |
f |
[FE]N:702 |
x,y,z |
1_555 |
1 |
1 |
137 |
36.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.088 |
231 |
|
[1FZ]B:704 |
4 |
1 |
610 |
f |
[FE]B:701 |
x,y,z |
1_555 |
1 |
1 |
137 |
34.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.088 |
| Average: |
38.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.088 |
| 57 |
232 |
|
[GTP]P:705 |
6 |
1 |
591 |
◊ |
N |
x,y,z |
1_555 |
3 |
1 |
21174 |
38.7 |
1.1 |
0.732 |
1 |
0 |
0 |
0.000 |
233 |
|
[GTP]B:705 |
6 |
1 |
589 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
21757 |
36.4 |
1.0 |
0.710 |
1 |
0 |
0 |
0.000 |
234 |
|
[GTP]K:706 |
6 |
1 |
592 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
21391 |
35.6 |
0.7 |
0.696 |
2 |
0 |
0 |
0.000 |
235 |
|
[GTP]D:702 |
5 |
1 |
583 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
21812 |
35.3 |
1.6 |
0.739 |
1 |
0 |
0 |
0.000 |
236 |
|
[GTP]O:705 |
6 |
1 |
598 |
◊ |
M |
x,y,z |
1_555 |
3 |
1 |
20934 |
34.9 |
1.4 |
0.760 |
1 |
0 |
0 |
0.000 |
237 |
|
[GTP]L:706 |
6 |
1 |
580 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
21393 |
32.8 |
0.8 |
0.705 |
1 |
0 |
0 |
0.000 |
238 |
|
[GTP]F:705 |
6 |
1 |
582 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
21901 |
32.7 |
1.3 |
0.720 |
2 |
0 |
0 |
0.000 |
239 |
|
[GTP]G:706 |
6 |
1 |
583 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
21540 |
32.3 |
1.1 |
0.714 |
1 |
0 |
0 |
0.000 |
240 |
|
[GTP]I:705 |
6 |
1 |
585 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
21376 |
32.2 |
1.3 |
0.763 |
2 |
0 |
0 |
0.000 |
241 |
|
[GTP]N:706 |
5 |
1 |
587 |
◊ |
P |
x,y,z |
1_555 |
2 |
1 |
21132 |
32.0 |
1.3 |
0.753 |
1 |
0 |
0 |
0.000 |
242 |
|
[GTP]A:705 |
6 |
1 |
585 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
21670 |
31.6 |
1.5 |
0.790 |
1 |
0 |
0 |
0.000 |
243 |
|
[GTP]D:707 |
7 |
1 |
585 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
21604 |
31.3 |
1.6 |
0.778 |
1 |
0 |
0 |
0.000 |
244 |
|
[GTP]E:705 |
5 |
1 |
581 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
21514 |
30.6 |
1.0 |
0.661 |
2 |
0 |
0 |
0.000 |
245 |
|
[GTP]H:706 |
5 |
1 |
587 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
21625 |
30.4 |
1.1 |
0.709 |
1 |
0 |
0 |
0.000 |
246 |
|
[GTP]M:705 |
4 |
1 |
590 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
21673 |
29.7 |
1.1 |
0.743 |
1 |
0 |
0 |
0.000 |
247 |
|
[GTP]I:707 |
5 |
1 |
587 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
21123 |
28.7 |
1.4 |
0.771 |
1 |
0 |
0 |
0.000 |
| Average: |
32.8 |
1.2 |
0.734 |
1 |
0 |
0 |
0.000 |
| 58 |
248 |
|
E |
6 |
2 |
21540 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
3 |
2 |
21670 |
38.5 |
-0.8 |
0.232 |
0 |
0 |
0 |
0.000 |
| 59 |
249 |
|
[1FZ]F:704 |
3 |
1 |
605 |
f |
[MG]F:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
37.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.086 |
250 |
|
[1FZ]M:704 |
2 |
1 |
613 |
f |
[MG]M:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
37.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.086 |
251 |
|
[1FZ]H:705 |
4 |
1 |
628 |
f |
[MG]H:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.086 |
252 |
|
[1FZ]N:705 |
3 |
1 |
620 |
f |
[MG]N:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.086 |
253 |
|
[1FZ]G:705 |
4 |
1 |
622 |
f |
[MG]G:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.086 |
254 |
|
[1FZ]J:704 |
4 |
1 |
619 |
f |
[MG]J:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.086 |
255 |
|
[1FZ]C:705 |
3 |
1 |
604 |
f |
[MG]C:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.086 |
256 |
|
[1FZ]P:704 |
3 |
1 |
605 |
f |
[MG]P:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.086 |
257 |
|
[1FZ]I:704 |
2 |
1 |
615 |
f |
[MG]I:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.086 |
258 |
|
[1FZ]K:705 |
2 |
1 |
615 |
f |
[MG]K:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.086 |
259 |
|
[1FZ]L:705 |
2 |
1 |
626 |
f |
[MG]L:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.086 |
260 |
|
[1FZ]B:704 |
3 |
1 |
610 |
f |
[MG]B:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.086 |
261 |
|
[1FZ]O:704 |
3 |
1 |
610 |
f |
[MG]O:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.086 |
262 |
|
[1FZ]D:706 |
2 |
1 |
627 |
f |
[MG]D:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.086 |
263 |
|
[1FZ]A:704 |
4 |
1 |
606 |
f |
[MG]A:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.086 |
264 |
|
[1FZ]E:704 |
2 |
1 |
614 |
f |
[MG]E:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.086 |
| Average: |
35.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.086 |
| 60 |
265 |
|
[GTP]M:705 |
6 |
1 |
590 |
f |
[MG]M:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.078 |
266 |
|
[GTP]N:706 |
4 |
1 |
587 |
f |
[MG]N:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.078 |
267 |
|
[GTP]I:707 |
6 |
1 |
587 |
f |
[MG]J:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.078 |
268 |
|
[GTP]G:706 |
5 |
1 |
583 |
f |
[MG]G:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.078 |
269 |
|
[GTP]O:705 |
5 |
1 |
598 |
f |
[MG]O:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.078 |
270 |
|
[GTP]H:706 |
5 |
1 |
587 |
f |
[MG]H:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.078 |
271 |
|
[GTP]B:705 |
4 |
1 |
589 |
f |
[MG]B:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.078 |
272 |
|
[GTP]L:706 |
4 |
1 |
580 |
f |
[MG]L:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.078 |
273 |
|
[GTP]P:705 |
4 |
1 |
591 |
f |
[MG]P:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.078 |
274 |
|
[GTP]K:706 |
4 |
1 |
592 |
f |
[MG]K:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.078 |
275 |
|
[GTP]I:705 |
5 |
1 |
585 |
f |
[MG]I:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.078 |
276 |
|
[GTP]D:707 |
4 |
1 |
585 |
f |
[MG]D:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.078 |
277 |
|
[GTP]D:702 |
5 |
1 |
583 |
f |
[MG]C:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.078 |
278 |
|
[GTP]A:705 |
7 |
1 |
585 |
f |
[MG]A:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.078 |
279 |
|
[GTP]F:705 |
4 |
1 |
582 |
f |
[MG]F:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.078 |
280 |
|
[GTP]E:705 |
5 |
1 |
581 |
f |
[MG]E:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.078 |
| Average: |
32.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.078 |
| 61 |
281 |
|
[DTP]B:707 |
6 |
1 |
599 |
f |
[MG]D:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.063 |
282 |
|
[DTP]K:701 |
4 |
1 |
609 |
f |
[MG]I:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.063 |
283 |
|
[DTP]M:706 |
4 |
1 |
609 |
f |
[MG]N:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.063 |
284 |
|
[DTP]L:701 |
4 |
1 |
603 |
f |
[MG]J:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.063 |
285 |
|
[DTP]H:701 |
5 |
1 |
594 |
f |
[MG]F:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.063 |
286 |
|
[DTP]G:701 |
4 |
1 |
593 |
f |
[MG]E:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.063 |
287 |
|
[DTP]A:706 |
4 |
1 |
599 |
f |
[MG]C:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.063 |
288 |
|
[DTP]C:701 |
3 |
1 |
597 |
f |
[MG]A:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.063 |
289 |
|
[DTP]E:707 |
3 |
1 |
593 |
f |
[MG]G:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.063 |
290 |
|
[DTP]D:701 |
4 |
1 |
600 |
f |
[MG]B:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.063 |
291 |
|
[DTP]N:708 |
5 |
1 |
595 |
f |
[MG]P:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.063 |
292 |
|
[DTP]N:701 |
3 |
1 |
596 |
f |
[MG]M:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.063 |
293 |
|
[DTP]J:706 |
3 |
1 |
588 |
f |
[MG]L:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.063 |
294 |
|
[DTP]F:707 |
4 |
1 |
591 |
f |
[MG]H:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.063 |
295 |
|
[DTP]M:707 |
5 |
1 |
610 |
f |
[MG]O:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.063 |
296 |
|
[DTP]I:708 |
5 |
1 |
599 |
f |
[MG]K:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
27.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.063 |
| 62 |
297 |
|
[MG]H:704 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
21901 |
22.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.037 |
298 |
|
[MG]N:704 |
1 |
1 |
98 |
◊ |
N |
x,y,z |
1_555 |
4 |
1 |
21174 |
21.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.037 |
299 |
|
[MG]M:703 |
1 |
1 |
98 |
◊ |
M |
x,y,z |
1_555 |
5 |
1 |
20934 |
21.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.037 |
300 |
|
[MG]L:704 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
21123 |
21.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.037 |
301 |
|
[MG]J:703 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
21393 |
21.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.037 |
302 |
|
[MG]A:703 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
21812 |
20.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.037 |
303 |
|
[MG]O:703 |
1 |
1 |
98 |
◊ |
O |
x,y,z |
1_555 |
4 |
1 |
21673 |
20.8 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.037 |
304 |
|
[MG]G:704 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
4 |
1 |
21514 |
19.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.037 |
305 |
|
[MG]E:703 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
21540 |
18.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.037 |
306 |
|
[MG]C:704 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
21670 |
18.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.037 |
307 |
|
[MG]K:704 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
21376 |
18.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.037 |
308 |
|
[MG]I:703 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
21391 |
18.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.037 |
309 |
|
[MG]P:703 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
4 |
1 |
21132 |
18.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.037 |
310 |
|
[MG]D:705 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
21757 |
17.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.037 |
311 |
|
[MG]B:703 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
21604 |
17.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.037 |
312 |
|
[MG]F:703 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
21625 |
17.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.037 |
| Average: |
19.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.037 |
| 63 |
313 |
|
[MG]E:703 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
21514 |
15.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.011 |
314 |
|
[MG]C:704 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
21812 |
14.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
315 |
|
[MG]F:703 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
21901 |
14.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.011 |
316 |
|
[MG]I:703 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
3 |
2 |
21376 |
12.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.011 |
317 |
|
[MG]D:705 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
21604 |
11.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.011 |
318 |
|
[MG]B:703 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
21757 |
11.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
319 |
|
[MG]P:703 |
1 |
1 |
98 |
◊ |
N |
x,y,z |
1_555 |
3 |
2 |
21174 |
11.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
320 |
|
[MG]A:703 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
21670 |
11.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
321 |
|
[MG]M:703 |
1 |
1 |
98 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
21673 |
8.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
322 |
|
[MG]O:703 |
1 |
1 |
98 |
◊ |
M |
x,y,z |
1_555 |
2 |
1 |
20934 |
8.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.011 |
323 |
|
[MG]K:704 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
21391 |
6.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.011 |
324 |
|
[MG]L:704 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
21393 |
6.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.011 |
325 |
|
[MG]N:704 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
3 |
2 |
21132 |
6.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.011 |
326 |
|
[MG]J:703 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
21123 |
4.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.011 |
327 |
|
[MG]H:704 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
21625 |
3.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.011 |
328 |
|
[MG]G:704 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
21540 |
3.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
9.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| 64 |
329 |
|
M |
2 |
1 |
20934 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
21625 |
8.7 |
-0.3 |
0.288 |
0 |
0 |
0 |
0.000 |
| 65 |
330 |
|
G |
1 |
1 |
21514 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
21540 |
4.8 |
-0.2 |
0.328 |
0 |
0 |
0 |
0.000 |
| 66 |
331 |
|
K |
1 |
1 |
21376 |
◊ |
I |
-x+1,y-1/2,-z-1 |
2_644 |
1 |
1 |
21391 |
3.4 |
-0.1 |
0.381 |
0 |
0 |
0 |
0.000 |
| 67 |
332 |
|
[MG]K:704 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
1 |
1 |
21123 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
333 |
|
[MG]H:704 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
1 |
1 |
21514 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
0.6 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 68 |
334 |
|
N |
1 |
1 |
21174 |
◊ |
I |
x-1,y,z |
1_455 |
1 |
1 |
21391 |
0.2 |
0.0 |
0.650 |
0 |
0 |
0 |
0.000 |
|