## |
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 |
|
D |
223 |
62 |
38991 |
◊ |
A |
x,y,z |
1_555 |
224 |
63 |
38675 |
2237.7 |
-8.4 |
0.492 |
28 |
16 |
0 |
0.464 |
2 |
|
C |
218 |
62 |
38798 |
◊ |
B |
x,y,z |
1_555 |
219 |
62 |
38708 |
2226.0 |
-8.4 |
0.504 |
26 |
18 |
0 |
0.464 |
Average: |
2231.9 |
-8.4 |
0.498 |
27 |
17 |
0 |
0.464 |
2 |
3 |
|
D |
193 |
59 |
38991 |
◊ |
C |
x,y,z |
1_555 |
193 |
59 |
38798 |
1904.2 |
-8.7 |
0.433 |
23 |
7 |
0 |
0.422 |
4 |
|
B |
189 |
58 |
38708 |
◊ |
A |
x,y,z |
1_555 |
192 |
59 |
38675 |
1887.5 |
-9.3 |
0.397 |
24 |
7 |
0 |
0.422 |
Average: |
1895.9 |
-9.0 |
0.415 |
24 |
7 |
0 |
0.422 |
3 |
5 |
|
D |
71 |
21 |
38991 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
65 |
21 |
38675 |
631.0 |
0.8 |
0.729 |
10 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
51 |
15 |
38708 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
45 |
15 |
38991 |
384.7 |
1.6 |
0.825 |
0 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
43 |
16 |
38675 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
39 |
13 |
38798 |
363.7 |
1.3 |
0.792 |
2 |
2 |
0 |
0.000 |
6 |
8 |
|
B |
45 |
16 |
38708 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
38 |
14 |
38798 |
357.2 |
2.6 |
0.883 |
6 |
3 |
0 |
0.000 |
7 |
9 |
|
C |
35 |
13 |
38798 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
27 |
8 |
38991 |
289.3 |
-1.6 |
0.470 |
0 |
1 |
0 |
0.000 |
10 |
|
A |
28 |
8 |
38675 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
33 |
11 |
38708 |
268.4 |
-0.7 |
0.583 |
1 |
2 |
0 |
0.000 |
Average: |
278.9 |
-1.1 |
0.527 |
1 |
2 |
0 |
0.000 |
8 |
11 |
|
A |
29 |
12 |
38675 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
25 |
8 |
38708 |
215.9 |
0.8 |
0.762 |
1 |
0 |
0 |
0.000 |
9 |
12 |
|
A |
15 |
5 |
38675 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
27 |
10 |
38798 |
168.7 |
2.0 |
0.860 |
2 |
3 |
0 |
0.000 |
10 |
13 |
|
[DMS]D:8403 |
4 |
1 |
207 |
f |
D |
x,y,z |
1_555 |
26 |
12 |
38991 |
143.6 |
3.5 |
0.511 |
1 |
0 |
0 |
0.000 |
14 |
|
[DMS]B:8403 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
25 |
12 |
38708 |
138.7 |
3.6 |
0.516 |
1 |
0 |
0 |
0.000 |
Average: |
141.2 |
3.5 |
0.514 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
[DMS]C:8403 |
4 |
1 |
207 |
f |
C |
x,y,z |
1_555 |
27 |
12 |
38798 |
139.9 |
3.5 |
0.516 |
1 |
0 |
0 |
0.000 |
16 |
|
[DMS]A:8403 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
38675 |
139.1 |
3.6 |
0.519 |
1 |
0 |
0 |
0.000 |
Average: |
139.5 |
3.6 |
0.517 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
[DMS]B:8401 |
4 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
38708 |
134.9 |
4.0 |
0.557 |
1 |
0 |
0 |
0.000 |
18 |
|
[DMS]A:8401 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
38675 |
132.6 |
4.0 |
0.559 |
1 |
0 |
0 |
0.000 |
Average: |
133.8 |
4.0 |
0.558 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
[DMS]C:8401 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
25 |
11 |
38798 |
133.9 |
4.0 |
0.557 |
1 |
0 |
0 |
0.000 |
20 |
|
[DMS]D:8401 |
4 |
1 |
208 |
f |
D |
x,y,z |
1_555 |
26 |
11 |
38991 |
133.6 |
4.1 |
0.569 |
1 |
0 |
0 |
0.000 |
Average: |
133.8 |
4.0 |
0.563 |
1 |
0 |
0 |
0.000 |
14 |
21 |
|
[DMS]D:8508 |
4 |
1 |
207 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
38991 |
122.8 |
3.0 |
0.474 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[DMS]A:8609 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
38675 |
122.7 |
2.7 |
0.527 |
1 |
0 |
0 |
0.000 |
16 |
23 |
|
[DMS]C:8402 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
38798 |
122.2 |
3.9 |
0.625 |
1 |
0 |
0 |
0.000 |
24 |
|
[DMS]B:8402 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
38708 |
121.5 |
3.9 |
0.625 |
1 |
0 |
0 |
0.000 |
25 |
|
[DMS]D:8402 |
4 |
1 |
209 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
38991 |
121.5 |
3.8 |
0.624 |
1 |
0 |
0 |
0.000 |
26 |
|
[DMS]A:8402 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
38675 |
121.1 |
3.8 |
0.624 |
1 |
0 |
0 |
0.000 |
Average: |
121.6 |
3.8 |
0.625 |
1 |
0 |
0 |
0.000 |
17 |
27 |
|
[DMS]B:8508 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
38708 |
122.1 |
2.8 |
0.402 |
1 |
0 |
0 |
0.000 |
18 |
28 |
|
[DMS]D:8407 |
4 |
1 |
209 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
38991 |
121.2 |
2.5 |
0.438 |
1 |
0 |
0 |
0.000 |
19 |
29 |
|
[DMS]A:8610 |
4 |
1 |
208 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
38675 |
121.1 |
2.1 |
0.501 |
1 |
0 |
0 |
0.000 |
20 |
30 |
|
[DMS]B:8504 |
4 |
1 |
208 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
38708 |
120.4 |
3.1 |
0.577 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
[DMS]A:8504 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
38675 |
120.2 |
2.4 |
0.518 |
0 |
0 |
0 |
0.000 |
22 |
32 |
|
[DMS]C:8407 |
4 |
1 |
207 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
38798 |
119.8 |
3.4 |
0.586 |
0 |
0 |
0 |
0.000 |
23 |
33 |
|
[DMS]D:8411 |
4 |
1 |
208 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
38991 |
119.5 |
2.4 |
0.446 |
3 |
0 |
0 |
0.000 |
24 |
34 |
|
[DMS]D:8708 |
4 |
1 |
207 |
f |
D |
x,y,z |
1_555 |
20 |
6 |
38991 |
119.3 |
2.7 |
0.437 |
0 |
0 |
0 |
0.000 |
25 |
35 |
|
[DMS]B:8610 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
20 |
6 |
38708 |
119.1 |
2.5 |
0.428 |
1 |
0 |
0 |
0.000 |
26 |
36 |
|
[DMS]A:8404 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
38675 |
118.8 |
3.0 |
0.473 |
0 |
0 |
0 |
0.000 |
37 |
|
[DMS]C:8404 |
4 |
1 |
207 |
f |
C |
x,y,z |
1_555 |
22 |
11 |
38798 |
118.2 |
3.0 |
0.470 |
0 |
0 |
0 |
0.000 |
Average: |
118.5 |
3.0 |
0.471 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
[DMS]B:8404 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
23 |
11 |
38708 |
118.5 |
3.0 |
0.471 |
0 |
0 |
0 |
0.000 |
39 |
|
[DMS]D:8404 |
4 |
1 |
208 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
38991 |
117.5 |
3.3 |
0.473 |
0 |
0 |
0 |
0.000 |
Average: |
118.0 |
3.1 |
0.472 |
0 |
0 |
0 |
0.000 |
28 |
40 |
|
[DMS]C:8420 |
4 |
1 |
208 |
◊ |
C |
x,y,z |
1_555 |
18 |
9 |
38798 |
117.2 |
2.5 |
0.502 |
0 |
0 |
0 |
0.000 |
29 |
41 |
|
[DMS]D:8705 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
38675 |
115.8 |
1.8 |
0.381 |
0 |
0 |
0 |
0.000 |
30 |
42 |
|
[DMS]D:8711 |
4 |
1 |
207 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
38991 |
115.8 |
3.4 |
0.550 |
0 |
0 |
0 |
0.000 |
31 |
43 |
|
[DMS]B:8603 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
38708 |
115.5 |
3.3 |
0.520 |
1 |
0 |
0 |
0.000 |
32 |
44 |
|
[DMS]B:8410 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
38708 |
115.2 |
2.6 |
0.371 |
1 |
0 |
0 |
0.000 |
33 |
45 |
|
[DMS]C:8607 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
21 |
7 |
38798 |
114.9 |
2.2 |
0.515 |
2 |
0 |
0 |
0.000 |
34 |
46 |
|
[DMS]B:8407 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
38708 |
114.8 |
2.2 |
0.434 |
1 |
0 |
0 |
0.000 |
35 |
47 |
|
[DMS]D:8712 |
4 |
1 |
208 |
◊ |
D |
x,y,z |
1_555 |
17 |
6 |
38991 |
114.7 |
3.9 |
0.582 |
0 |
0 |
0 |
0.000 |
36 |
48 |
|
[DMS]B:8411 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
38708 |
114.5 |
2.1 |
0.448 |
3 |
0 |
0 |
0.000 |
49 |
|
[DMS]A:8411 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
38675 |
110.3 |
2.0 |
0.443 |
3 |
0 |
0 |
0.000 |
Average: |
112.4 |
2.0 |
0.446 |
3 |
0 |
0 |
0.000 |
37 |
50 |
|
[DMS]C:8411 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
38798 |
114.3 |
2.2 |
0.445 |
3 |
0 |
0 |
0.000 |
38 |
51 |
|
[DMS]C:1024 |
4 |
1 |
208 |
◊ |
B |
x,y,z |
1_555 |
17 |
9 |
38708 |
113.7 |
1.8 |
0.382 |
0 |
0 |
0 |
0.000 |
39 |
52 |
|
[DMS]B:8609 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
38708 |
113.5 |
3.0 |
0.597 |
0 |
0 |
0 |
0.000 |
40 |
53 |
|
[DMS]C:8504 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
38798 |
113.4 |
2.6 |
0.547 |
1 |
0 |
0 |
0.000 |
41 |
54 |
|
[DMS]D:8703 |
4 |
1 |
208 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
38991 |
113.2 |
2.3 |
0.442 |
0 |
0 |
0 |
0.000 |
42 |
55 |
|
[DMS]A:8407 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
38675 |
112.1 |
2.3 |
0.430 |
1 |
0 |
0 |
0.000 |
43 |
56 |
|
[DMS]D:8412 |
4 |
1 |
207 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
38991 |
111.9 |
2.2 |
0.546 |
1 |
0 |
0 |
0.000 |
44 |
57 |
|
[DMS]A:8603 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
38675 |
111.7 |
2.1 |
0.396 |
0 |
0 |
0 |
0.000 |
45 |
58 |
|
[DMS]D:8709 |
4 |
1 |
206 |
f |
D |
x,y,z |
1_555 |
21 |
6 |
38991 |
111.3 |
1.7 |
0.369 |
1 |
0 |
0 |
0.000 |
46 |
59 |
|
[DMS]A:8412 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
38675 |
110.9 |
2.8 |
0.581 |
1 |
0 |
0 |
0.000 |
47 |
60 |
|
[DMS]B:8412 |
4 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
38708 |
110.4 |
2.4 |
0.550 |
1 |
0 |
0 |
0.000 |
48 |
61 |
|
[DMS]A:8502 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
38675 |
109.5 |
1.4 |
0.306 |
0 |
0 |
0 |
0.000 |
49 |
62 |
|
[DMS]C:8412 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
38798 |
109.1 |
2.3 |
0.543 |
1 |
0 |
0 |
0.000 |
50 |
63 |
|
C |
11 |
4 |
38798 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
38675 |
108.6 |
2.2 |
0.922 |
2 |
0 |
0 |
0.000 |
64 |
|
D |
11 |
4 |
38991 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
38708 |
108.3 |
2.3 |
0.923 |
2 |
0 |
0 |
0.000 |
Average: |
108.5 |
2.3 |
0.922 |
2 |
0 |
0 |
0.000 |
51 |
65 |
|
[DMS]A:8420 |
4 |
1 |
206 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
38991 |
107.9 |
1.6 |
0.432 |
1 |
0 |
0 |
0.000 |
52 |
66 |
|
[DMS]B:8417 |
4 |
1 |
206 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
38708 |
107.2 |
2.1 |
0.432 |
0 |
0 |
0 |
0.000 |
53 |
67 |
|
[DMS]A:8419 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
38675 |
106.9 |
1.7 |
0.430 |
0 |
0 |
0 |
0.000 |
68 |
|
[DMS]C:8419 |
4 |
1 |
207 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
38798 |
106.7 |
1.7 |
0.443 |
0 |
0 |
0 |
0.000 |
Average: |
106.8 |
1.7 |
0.436 |
0 |
0 |
0 |
0.000 |
54 |
69 |
|
[DMS]C:8501 |
4 |
1 |
207 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
38798 |
106.7 |
3.5 |
0.576 |
0 |
0 |
0 |
0.000 |
70 |
|
[DMS]A:8501 |
4 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
38675 |
105.4 |
3.4 |
0.573 |
0 |
0 |
0 |
0.000 |
Average: |
106.0 |
3.4 |
0.574 |
0 |
0 |
0 |
0.000 |
55 |
71 |
|
[DMS]B:8602 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
38708 |
106.7 |
3.1 |
0.452 |
0 |
0 |
0 |
0.000 |
56 |
72 |
|
[DMS]D:8419 |
4 |
1 |
209 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
38991 |
106.4 |
1.4 |
0.314 |
0 |
0 |
0 |
0.000 |
57 |
73 |
|
[DMS]D:8501 |
4 |
1 |
208 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
38991 |
106.2 |
3.3 |
0.460 |
0 |
0 |
0 |
0.000 |
58 |
74 |
|
[DMS]B:8607 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
38708 |
106.2 |
1.1 |
0.348 |
0 |
0 |
0 |
0.000 |
59 |
75 |
|
[DMS]C:8603 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
38798 |
105.3 |
1.1 |
0.338 |
1 |
0 |
0 |
0.000 |
60 |
76 |
|
[DMS]B:8502 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
38708 |
105.0 |
1.6 |
0.436 |
1 |
0 |
0 |
0.000 |
61 |
77 |
|
[DMS]D:8415 |
4 |
1 |
209 |
f |
D |
x,y,z |
1_555 |
22 |
9 |
38991 |
104.7 |
1.3 |
0.377 |
1 |
0 |
0 |
0.000 |
78 |
|
[DMS]C:8415 |
4 |
1 |
207 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
38798 |
95.1 |
0.7 |
0.353 |
1 |
0 |
0 |
0.000 |
Average: |
99.9 |
1.0 |
0.365 |
1 |
0 |
0 |
0.000 |
62 |
79 |
|
[DMS]C:8604 |
4 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
38798 |
103.8 |
3.8 |
0.544 |
1 |
0 |
0 |
0.000 |
63 |
80 |
|
[DMS]C:8423 |
4 |
1 |
207 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
38798 |
102.8 |
1.4 |
0.381 |
0 |
0 |
0 |
0.000 |
64 |
81 |
|
[DMS]D:8423 |
4 |
1 |
209 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
38991 |
102.8 |
1.4 |
0.385 |
1 |
0 |
0 |
0.000 |
65 |
82 |
|
[DMS]D:8408 |
4 |
1 |
208 |
f |
D |
x,y,z |
1_555 |
15 |
10 |
38991 |
102.2 |
1.8 |
0.387 |
0 |
0 |
0 |
0.000 |
66 |
83 |
|
[DMS]C:8417 |
4 |
1 |
208 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
38798 |
100.8 |
1.6 |
0.436 |
0 |
0 |
0 |
0.000 |
67 |
84 |
|
[DMS]B:8408 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
38708 |
100.7 |
1.7 |
0.393 |
0 |
0 |
0 |
0.000 |
85 |
|
[DMS]A:8408 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
38675 |
99.5 |
1.6 |
0.383 |
0 |
0 |
0 |
0.000 |
Average: |
100.1 |
1.7 |
0.388 |
0 |
0 |
0 |
0.000 |
68 |
86 |
|
[DMS]A:8406 |
4 |
1 |
208 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
38675 |
100.5 |
1.1 |
0.322 |
0 |
0 |
0 |
0.000 |
69 |
87 |
|
[DMS]B:8406 |
4 |
1 |
209 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
38708 |
100.4 |
1.8 |
0.389 |
0 |
0 |
0 |
0.000 |
70 |
88 |
|
[DMS]B:8409 |
4 |
1 |
208 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
38708 |
100.0 |
0.9 |
0.365 |
0 |
0 |
0 |
0.000 |
89 |
|
[DMS]A:8409 |
4 |
1 |
209 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
38675 |
98.0 |
0.8 |
0.353 |
0 |
0 |
0 |
0.000 |
90 |
|
[DMS]D:8409 |
4 |
1 |
208 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
38991 |
97.0 |
0.8 |
0.356 |
0 |
0 |
0 |
0.000 |
Average: |
98.3 |
0.8 |
0.358 |
0 |
0 |
0 |
0.000 |
71 |
91 |
|
[DMS]B:8415 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
38708 |
99.9 |
1.2 |
0.371 |
1 |
0 |
0 |
0.000 |
72 |
92 |
|
[DMS]D:8707 |
4 |
1 |
209 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
38991 |
99.0 |
0.7 |
0.329 |
1 |
0 |
0 |
0.000 |
73 |
93 |
|
[DMS]C:8606 |
4 |
1 |
207 |
f |
C |
x,y,z |
1_555 |
18 |
5 |
38798 |
98.9 |
2.2 |
0.498 |
0 |
0 |
0 |
0.000 |
74 |
94 |
|
[DMS]B:8425 |
4 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
38708 |
98.6 |
1.7 |
0.385 |
1 |
0 |
0 |
0.000 |
75 |
95 |
|
[DMS]D:8406 |
4 |
1 |
208 |
◊ |
D |
x,y,z |
1_555 |
19 |
6 |
38991 |
98.6 |
0.5 |
0.243 |
0 |
0 |
0 |
0.000 |
76 |
96 |
|
[DMS]C:8408 |
4 |
1 |
207 |
◊ |
C |
x,y,z |
1_555 |
16 |
10 |
38798 |
98.4 |
1.6 |
0.388 |
0 |
0 |
0 |
0.000 |
77 |
97 |
|
[DMS]A:8608 |
4 |
1 |
208 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
38675 |
97.7 |
1.9 |
0.501 |
1 |
0 |
0 |
0.000 |
78 |
98 |
|
[DMS]C:8425 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
38798 |
97.1 |
1.7 |
0.380 |
1 |
0 |
0 |
0.000 |
79 |
99 |
|
[DMS]B:8604 |
4 |
1 |
207 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
38708 |
96.5 |
2.1 |
0.506 |
0 |
0 |
0 |
0.000 |
80 |
100 |
|
[DMS]C:8409 |
4 |
1 |
208 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
38798 |
96.4 |
0.8 |
0.357 |
0 |
0 |
0 |
0.000 |
81 |
101 |
|
[DMS]B:8601 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
38708 |
96.3 |
0.9 |
0.365 |
1 |
0 |
0 |
0.000 |
82 |
102 |
|
[DMS]B:8605 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
38708 |
95.6 |
1.5 |
0.433 |
1 |
0 |
0 |
0.000 |
83 |
103 |
|
[DMS]B:8606 |
4 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
17 |
4 |
38708 |
95.3 |
0.4 |
0.316 |
0 |
0 |
0 |
0.000 |
84 |
104 |
|
[DMS]D:8701 |
4 |
1 |
207 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
18 |
7 |
38675 |
94.9 |
2.2 |
0.534 |
0 |
0 |
0 |
0.000 |
85 |
105 |
|
[DMS]B:8413 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
38708 |
94.3 |
2.4 |
0.461 |
0 |
0 |
0 |
0.000 |
86 |
106 |
|
[DMS]D:8405 |
4 |
1 |
209 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
38991 |
93.9 |
1.2 |
0.391 |
1 |
0 |
0 |
0.000 |
87 |
107 |
|
[DMS]A:8405 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
38675 |
93.3 |
1.2 |
0.389 |
1 |
0 |
0 |
0.000 |
108 |
|
[DMS]B:8405 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
38708 |
92.9 |
1.2 |
0.390 |
1 |
0 |
0 |
0.000 |
Average: |
93.1 |
1.2 |
0.390 |
1 |
0 |
0 |
0.000 |
88 |
109 |
|
[DMS]B:8423 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
38708 |
93.1 |
0.8 |
0.370 |
1 |
0 |
0 |
0.000 |
89 |
110 |
|
[DMS]C:8601 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
38798 |
93.0 |
0.7 |
0.358 |
1 |
0 |
0 |
0.000 |
90 |
111 |
|
[DMS]C:8405 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
38798 |
92.5 |
1.2 |
0.389 |
1 |
0 |
0 |
0.000 |
91 |
112 |
|
[DMS]D:8425 |
4 |
1 |
206 |
f |
D |
x,y,z |
1_555 |
14 |
9 |
38991 |
92.3 |
1.5 |
0.378 |
1 |
0 |
0 |
0.000 |
92 |
113 |
|
[DMS]A:8425 |
4 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
38675 |
90.2 |
1.4 |
0.383 |
1 |
0 |
0 |
0.000 |
93 |
114 |
|
[DMS]D:8706 |
4 |
1 |
207 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
38798 |
90.1 |
2.7 |
0.471 |
0 |
0 |
0 |
0.000 |
94 |
115 |
|
[DMS]B:8416 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
38708 |
89.7 |
2.0 |
0.465 |
2 |
0 |
0 |
0.000 |
116 |
|
[DMS]C:8416 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
38798 |
88.5 |
1.9 |
0.456 |
1 |
0 |
0 |
0.000 |
Average: |
89.1 |
1.9 |
0.460 |
2 |
0 |
0 |
0.000 |
95 |
117 |
|
[DMS]B:8414 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
38708 |
88.1 |
0.6 |
0.357 |
1 |
0 |
0 |
0.000 |
96 |
118 |
|
[DMS]B:8608 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
38708 |
88.0 |
0.8 |
0.342 |
0 |
0 |
0 |
0.000 |
97 |
119 |
|
[DMS]D:8414 |
4 |
1 |
208 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
38991 |
86.5 |
0.5 |
0.356 |
1 |
0 |
0 |
0.000 |
98 |
120 |
|
[DMS]D:8503 |
4 |
1 |
207 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
38991 |
86.4 |
2.2 |
0.421 |
1 |
0 |
0 |
0.000 |
99 |
121 |
|
[DMS]D:8710 |
4 |
1 |
207 |
f |
D |
x,y,z |
1_555 |
16 |
4 |
38991 |
86.2 |
0.0 |
0.289 |
0 |
0 |
0 |
0.000 |
100 |
122 |
|
[DMS]A:8605 |
4 |
1 |
208 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
38675 |
85.8 |
1.7 |
0.445 |
1 |
0 |
0 |
0.000 |
101 |
123 |
|
[DMS]A:8602 |
4 |
1 |
208 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
38675 |
85.2 |
1.3 |
0.424 |
0 |
0 |
0 |
0.000 |
102 |
124 |
|
[DMS]C:8410 |
4 |
1 |
207 |
f |
C |
x,y,z |
1_555 |
11 |
8 |
38798 |
83.8 |
1.8 |
0.360 |
0 |
0 |
0 |
0.000 |
103 |
125 |
|
[DMS]A:8503 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
38675 |
83.4 |
1.0 |
0.417 |
1 |
0 |
0 |
0.000 |
104 |
126 |
|
[DMS]C:8414 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
38798 |
83.4 |
0.4 |
0.359 |
1 |
0 |
0 |
0.000 |
105 |
127 |
|
[DMS]A:8414 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
38675 |
82.6 |
0.4 |
0.366 |
1 |
0 |
0 |
0.003 |
106 |
128 |
|
[DMS]A:8410 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
38675 |
82.5 |
1.9 |
0.469 |
0 |
0 |
0 |
0.000 |
107 |
129 |
|
[DMS]B:8427 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
38708 |
82.5 |
1.4 |
0.393 |
1 |
0 |
0 |
0.000 |
130 |
|
[DMS]D:8427 |
4 |
1 |
208 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
38991 |
81.1 |
1.6 |
0.401 |
0 |
0 |
0 |
0.000 |
Average: |
81.8 |
1.5 |
0.397 |
1 |
0 |
0 |
0.000 |
108 |
131 |
|
[DMS]A:8427 |
4 |
1 |
207 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
38675 |
81.7 |
1.4 |
0.395 |
0 |
0 |
0 |
0.000 |
109 |
132 |
|
[DMS]D:8410 |
4 |
1 |
208 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
38991 |
81.1 |
1.5 |
0.354 |
0 |
0 |
0 |
0.000 |
110 |
133 |
|
[DMS]A:8612 |
4 |
1 |
208 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
15 |
4 |
38708 |
80.0 |
0.9 |
0.379 |
0 |
0 |
0 |
0.000 |
111 |
134 |
|
[DMS]C:8427 |
4 |
1 |
207 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
38798 |
79.7 |
1.4 |
0.390 |
0 |
0 |
0 |
0.000 |
112 |
135 |
|
[DMS]C:8503 |
4 |
1 |
207 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
38798 |
79.6 |
1.4 |
0.433 |
1 |
0 |
0 |
0.000 |
113 |
136 |
|
[DMS]D:8416 |
4 |
1 |
208 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
38991 |
79.3 |
1.0 |
0.403 |
1 |
0 |
0 |
0.000 |
114 |
137 |
|
[DMS]A:8604 |
4 |
1 |
207 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
38675 |
78.9 |
0.5 |
0.346 |
1 |
0 |
0 |
0.000 |
115 |
138 |
|
[DMS]C:8605 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
38798 |
78.5 |
0.7 |
0.360 |
0 |
0 |
0 |
0.000 |
116 |
139 |
|
[DMS]C:8413 |
4 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
38798 |
76.5 |
-0.0 |
0.273 |
0 |
0 |
0 |
0.000 |
117 |
140 |
|
[DMS]C:8421 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
38798 |
75.7 |
0.4 |
0.391 |
0 |
0 |
0 |
0.000 |
118 |
141 |
|
[DMS]B:8421 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
38708 |
75.4 |
0.4 |
0.383 |
0 |
0 |
0 |
0.000 |
119 |
142 |
|
[NA]D:3101 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
38991 |
74.8 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.538 |
143 |
|
[NA]A:3101 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
38675 |
74.7 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.538 |
144 |
|
[NA]B:3101 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
38708 |
74.3 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.538 |
145 |
|
[NA]C:3101 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
38798 |
73.4 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.538 |
Average: |
74.3 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.538 |
120 |
146 |
|
[NA]D:3103 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
38991 |
74.3 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.587 |
147 |
|
[NA]C:3103 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
38798 |
73.6 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.587 |
148 |
|
[NA]A:3103 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
38675 |
73.4 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.587 |
149 |
|
[NA]B:3103 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
38708 |
72.0 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.587 |
Average: |
73.3 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.587 |
121 |
150 |
|
[DMS]A:8421 |
4 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
38675 |
74.0 |
0.3 |
0.370 |
0 |
0 |
0 |
0.000 |
122 |
151 |
|
[DMS]A:8420 |
3 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
38675 |
73.5 |
1.9 |
0.433 |
0 |
0 |
0 |
0.000 |
123 |
152 |
|
[DMS]D:8421 |
4 |
1 |
208 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
38991 |
72.1 |
0.2 |
0.283 |
0 |
0 |
0 |
0.000 |
124 |
153 |
|
[DMS]C:8602 |
4 |
1 |
208 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
4 |
38991 |
70.5 |
0.6 |
0.377 |
0 |
0 |
0 |
0.000 |
125 |
154 |
|
[DMS]C:8602 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
38798 |
69.8 |
0.9 |
0.439 |
0 |
0 |
0 |
0.000 |
126 |
155 |
|
[DMS]A:8607 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
38675 |
68.8 |
0.2 |
0.329 |
0 |
0 |
0 |
0.000 |
127 |
156 |
|
[DMS]C:1024 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
38798 |
68.8 |
0.7 |
0.362 |
0 |
0 |
0 |
0.000 |
128 |
157 |
|
[DMS]A:8413 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
38675 |
68.1 |
-0.2 |
0.274 |
0 |
0 |
0 |
0.008 |
129 |
158 |
|
[NA]C:3102 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
38798 |
67.7 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.545 |
159 |
|
[NA]D:3102 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
38991 |
67.1 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.545 |
160 |
|
[NA]A:3102 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
38675 |
66.9 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.545 |
161 |
|
[NA]B:3102 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
38708 |
66.6 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.545 |
Average: |
67.1 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.545 |
130 |
162 |
|
[DMS]C:8420 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
38708 |
66.6 |
0.5 |
0.387 |
0 |
0 |
0 |
0.000 |
131 |
163 |
|
[DMS]D:8413 |
4 |
1 |
207 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
38991 |
65.1 |
0.0 |
0.279 |
1 |
0 |
0 |
0.009 |
132 |
164 |
|
[DMS]D:8705 |
3 |
1 |
207 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
38991 |
64.4 |
2.0 |
0.472 |
0 |
0 |
0 |
0.000 |
133 |
165 |
|
[DMS]D:8701 |
3 |
1 |
207 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
38991 |
57.6 |
0.7 |
0.348 |
0 |
0 |
0 |
0.000 |
134 |
166 |
|
[DMS]A:8425 |
3 |
1 |
209 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
2 |
38798 |
56.9 |
1.9 |
0.509 |
0 |
0 |
0 |
0.000 |
135 |
167 |
|
[NA]D:3104 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
38991 |
56.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.437 |
168 |
|
[NA]A:3104 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
38675 |
56.5 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.437 |
169 |
|
[NA]B:3104 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
38708 |
55.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.437 |
170 |
|
[NA]C:3104 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
38798 |
55.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.437 |
Average: |
56.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.437 |
136 |
171 |
|
[MG]D:3001 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
38991 |
50.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.471 |
172 |
|
[MG]A:3001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
38675 |
50.5 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.471 |
173 |
|
[MG]B:3001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
38708 |
50.4 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.471 |
174 |
|
[MG]C:3001 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
38798 |
50.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.471 |
Average: |
50.4 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.471 |
137 |
175 |
|
D |
6 |
2 |
38991 |
f |
[DMS]A:8605 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
208 |
49.7 |
1.2 |
0.419 |
0 |
0 |
0 |
0.000 |
138 |
176 |
|
[DMS]A:8607 |
3 |
1 |
208 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
2 |
38798 |
48.7 |
0.7 |
0.253 |
0 |
0 |
0 |
0.000 |
139 |
177 |
|
[MG]A:3003 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
38675 |
48.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.273 |
178 |
|
[MG]C:3003 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
38798 |
48.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.273 |
179 |
|
[MG]D:3003 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
38991 |
48.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.273 |
180 |
|
[MG]B:3003 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
38708 |
47.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.273 |
Average: |
48.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.273 |
140 |
181 |
|
[DMS]A:8612 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
38675 |
43.9 |
0.8 |
0.423 |
0 |
0 |
0 |
0.000 |
141 |
182 |
|
[MG]C:3006 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
38798 |
37.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.097 |
142 |
183 |
|
D |
3 |
2 |
38991 |
f |
[DMS]A:8406 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
208 |
37.1 |
1.2 |
0.666 |
0 |
0 |
0 |
0.000 |
143 |
184 |
|
[DMS]B:8425 |
3 |
1 |
209 |
f |
[NA]B:3104 |
x,y,z |
1_555 |
1 |
1 |
125 |
36.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.162 |
185 |
|
[DMS]C:8425 |
3 |
1 |
208 |
f |
[NA]C:3104 |
x,y,z |
1_555 |
1 |
1 |
125 |
36.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.162 |
186 |
|
[DMS]D:8425 |
3 |
1 |
206 |
f |
[NA]D:3104 |
x,y,z |
1_555 |
1 |
1 |
125 |
35.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.162 |
187 |
|
[DMS]A:8425 |
3 |
1 |
209 |
f |
[NA]A:3104 |
x,y,z |
1_555 |
1 |
1 |
125 |
34.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.162 |
Average: |
35.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.162 |
144 |
188 |
|
[DMS]D:8406 |
1 |
1 |
208 |
f |
A |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
38675 |
35.5 |
1.2 |
0.516 |
0 |
0 |
0 |
0.000 |
145 |
189 |
|
[DMS]D:8501 |
3 |
1 |
208 |
f |
[DMS]D:8404 |
x,y,z |
1_555 |
4 |
1 |
208 |
35.0 |
0.5 |
0.167 |
0 |
0 |
0 |
0.000 |
146 |
190 |
|
[DMS]C:8604 |
3 |
1 |
206 |
f |
[DMS]C:8405 |
x,y,z |
1_555 |
3 |
1 |
208 |
34.4 |
1.2 |
0.203 |
0 |
0 |
0 |
0.000 |
147 |
191 |
|
[DMS]A:8501 |
3 |
1 |
206 |
f |
[DMS]A:8404 |
x,y,z |
1_555 |
3 |
1 |
207 |
34.2 |
0.4 |
0.113 |
0 |
0 |
0 |
0.000 |
192 |
|
[DMS]C:8501 |
3 |
1 |
207 |
f |
[DMS]C:8404 |
x,y,z |
1_555 |
4 |
1 |
207 |
33.0 |
0.2 |
0.167 |
0 |
0 |
0 |
0.000 |
Average: |
33.6 |
0.3 |
0.140 |
0 |
0 |
0 |
0.000 |
148 |
193 |
|
[DMS]D:8703 |
3 |
1 |
208 |
◊ |
[DMS]A:8406 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
208 |
33.4 |
1.9 |
0.390 |
0 |
0 |
0 |
0.000 |
149 |
194 |
|
[DMS]B:8605 |
3 |
1 |
207 |
f |
[DMS]B:8405 |
x,y,z |
1_555 |
2 |
1 |
208 |
32.7 |
1.0 |
0.298 |
0 |
0 |
0 |
0.000 |
150 |
195 |
|
B |
4 |
2 |
38708 |
f |
[DMS]C:8408 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
207 |
32.6 |
0.6 |
0.381 |
0 |
0 |
0 |
0.000 |
151 |
196 |
|
[DMS]A:8604 |
3 |
1 |
207 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
38991 |
32.5 |
0.0 |
0.188 |
0 |
0 |
0 |
0.000 |
152 |
197 |
|
B |
3 |
1 |
38708 |
◊ |
[DMS]D:8425 |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
206 |
32.0 |
1.0 |
0.584 |
0 |
0 |
0 |
0.000 |
153 |
198 |
|
D |
7 |
5 |
38991 |
f |
[MG]A:3005 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
98 |
30.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.098 |
199 |
|
[MG]A:3009 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
38675 |
20.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.098 |
Average: |
25.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.098 |
154 |
200 |
|
[DMS]B:8602 |
3 |
1 |
208 |
f |
[DMS]B:8404 |
x,y,z |
1_555 |
3 |
1 |
207 |
30.2 |
-0.4 |
0.113 |
0 |
0 |
0 |
0.007 |
155 |
201 |
|
[DMS]D:8701 |
2 |
1 |
207 |
◊ |
[DMS]D:8406 |
x,y,z |
1_555 |
2 |
1 |
208 |
30.0 |
1.1 |
0.573 |
0 |
0 |
0 |
0.000 |
156 |
202 |
|
[DMS]D:8419 |
1 |
1 |
209 |
f |
[DMS]D:8410 |
x,y,z |
1_555 |
3 |
1 |
208 |
29.3 |
0.2 |
0.177 |
0 |
0 |
0 |
0.000 |
157 |
203 |
|
[DMS]D:8706 |
3 |
1 |
207 |
f |
D |
x,y,z |
1_555 |
4 |
1 |
38991 |
28.8 |
-0.1 |
0.214 |
0 |
0 |
0 |
0.002 |
158 |
204 |
|
[DMS]A:8419 |
1 |
1 |
208 |
f |
[DMS]A:8410 |
x,y,z |
1_555 |
3 |
1 |
207 |
28.2 |
0.3 |
0.177 |
0 |
0 |
0 |
0.000 |
159 |
205 |
|
[DMS]B:8609 |
2 |
1 |
207 |
f |
[DMS]B:8411 |
x,y,z |
1_555 |
3 |
1 |
207 |
27.4 |
1.8 |
0.390 |
0 |
0 |
0 |
0.000 |
160 |
206 |
|
[DMS]C:8413 |
3 |
1 |
206 |
f |
[DMS]C:8410 |
x,y,z |
1_555 |
2 |
1 |
207 |
27.2 |
1.6 |
0.390 |
0 |
0 |
0 |
0.000 |
161 |
207 |
|
[DMS]C:8419 |
1 |
1 |
207 |
f |
[DMS]C:8410 |
x,y,z |
1_555 |
3 |
1 |
207 |
26.6 |
0.1 |
0.177 |
0 |
0 |
0 |
0.000 |
162 |
208 |
|
[DMS]A:8502 |
3 |
1 |
208 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
38708 |
26.6 |
1.1 |
0.414 |
0 |
0 |
0 |
0.000 |
163 |
209 |
|
[MG]A:3005 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
38675 |
26.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
164 |
210 |
|
[DMS]D:8508 |
3 |
1 |
207 |
f |
[DMS]D:8423 |
x,y,z |
1_555 |
1 |
1 |
209 |
24.9 |
1.6 |
0.319 |
0 |
0 |
0 |
0.000 |
165 |
211 |
|
[DMS]A:8413 |
2 |
1 |
207 |
f |
[DMS]A:8410 |
x,y,z |
1_555 |
1 |
1 |
207 |
23.8 |
1.5 |
0.468 |
0 |
0 |
0 |
0.000 |
166 |
212 |
|
[DMS]B:8508 |
3 |
1 |
207 |
f |
[DMS]B:8423 |
x,y,z |
1_555 |
1 |
1 |
208 |
23.4 |
0.7 |
0.319 |
0 |
0 |
0 |
0.000 |
167 |
213 |
|
[DMS]D:8413 |
3 |
1 |
207 |
f |
[DMS]D:8410 |
x,y,z |
1_555 |
1 |
1 |
208 |
21.0 |
1.4 |
0.319 |
0 |
0 |
0 |
0.000 |
168 |
214 |
|
[DMS]B:8427 |
3 |
1 |
208 |
f |
[MG]B:3003 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.059 |
215 |
|
[DMS]D:8427 |
3 |
1 |
208 |
f |
[MG]D:3003 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.059 |
216 |
|
[DMS]C:8427 |
3 |
1 |
207 |
f |
[MG]C:3003 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.059 |
Average: |
18.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.059 |
169 |
217 |
|
[DMS]D:8703 |
1 |
1 |
208 |
◊ |
[MG]A:3009 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
98 |
18.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.066 |
170 |
218 |
|
A |
3 |
2 |
38675 |
f |
[DMS]B:8406 |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
209 |
18.5 |
0.2 |
0.339 |
0 |
0 |
0 |
0.000 |
171 |
219 |
|
[DMS]A:8427 |
3 |
1 |
207 |
◊ |
[MG]A:3003 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
220 |
|
[DMS]A:8612 |
2 |
1 |
208 |
◊ |
[MG]C:3006 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
98 |
8.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
221 |
|
[DMS]A:8406 |
1 |
1 |
208 |
◊ |
[MG]A:3009 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
8.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
172 |
222 |
|
[DMS]B:8413 |
3 |
1 |
207 |
f |
[DMS]B:8410 |
x,y,z |
1_555 |
2 |
1 |
207 |
17.5 |
0.3 |
0.298 |
0 |
0 |
0 |
0.000 |
173 |
223 |
|
A |
3 |
1 |
38675 |
◊ |
[MG]C:3006 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
98 |
15.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
174 |
224 |
|
B |
3 |
2 |
38708 |
◊ |
[DMS]D:8710 |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
207 |
14.9 |
0.6 |
0.559 |
0 |
0 |
0 |
0.000 |
175 |
225 |
|
[DMS]D:8406 |
2 |
1 |
208 |
◊ |
[MG]A:3005 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
98 |
12.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
176 |
226 |
|
D |
3 |
1 |
38991 |
◊ |
[MG]A:3009 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
98 |
12.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
177 |
227 |
|
[DMS]C:8503 |
1 |
1 |
207 |
f |
[DMS]C:8402 |
x,y,z |
1_555 |
2 |
1 |
208 |
11.5 |
0.8 |
0.468 |
0 |
0 |
0 |
0.000 |
178 |
228 |
|
[DMS]B:8504 |
2 |
1 |
208 |
f |
C |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
38798 |
10.9 |
0.3 |
0.571 |
0 |
0 |
0 |
0.000 |
179 |
229 |
|
[DMS]D:8703 |
1 |
1 |
208 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
38675 |
9.7 |
0.4 |
0.616 |
0 |
0 |
0 |
0.000 |
180 |
230 |
|
[DMS]A:8503 |
1 |
1 |
208 |
f |
[DMS]A:8402 |
x,y,z |
1_555 |
2 |
1 |
207 |
9.1 |
0.6 |
0.468 |
0 |
0 |
0 |
0.000 |
181 |
231 |
|
[DMS]B:8417 |
2 |
1 |
206 |
f |
[DMS]B:8409 |
x,y,z |
1_555 |
1 |
1 |
208 |
7.6 |
0.1 |
0.331 |
0 |
0 |
0 |
0.000 |
182 |
232 |
|
[DMS]B:8417 |
2 |
1 |
206 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
38991 |
7.6 |
0.4 |
0.612 |
0 |
0 |
0 |
0.000 |
183 |
233 |
|
[DMS]D:8412 |
1 |
1 |
207 |
f |
[DMS]D:8405 |
x,y,z |
1_555 |
1 |
1 |
209 |
7.3 |
0.3 |
0.250 |
0 |
0 |
0 |
0.000 |
184 |
234 |
|
[DMS]A:8503 |
1 |
1 |
208 |
f |
[MG]A:3003 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.022 |
185 |
235 |
|
B |
3 |
1 |
38708 |
◊ |
[MG]C:3006 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
98 |
7.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
186 |
236 |
|
[DMS]C:8417 |
2 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
38675 |
6.7 |
-0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
187 |
237 |
|
[DMS]D:8503 |
1 |
1 |
207 |
f |
[MG]D:3003 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.014 |
238 |
|
[DMS]C:8402 |
1 |
1 |
208 |
f |
[MG]C:3003 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.014 |
239 |
|
[DMS]A:8402 |
1 |
1 |
207 |
f |
[MG]A:3003 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.014 |
240 |
|
[DMS]D:8402 |
1 |
1 |
209 |
f |
[MG]D:3003 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.014 |
241 |
|
[DMS]B:8402 |
1 |
1 |
207 |
f |
[MG]B:3003 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.8 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
2.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.014 |
188 |
242 |
|
[DMS]C:8602 |
1 |
1 |
208 |
f |
[DMS]C:8601 |
x,y,z |
1_555 |
1 |
1 |
208 |
6.4 |
0.4 |
0.250 |
0 |
0 |
0 |
0.000 |
189 |
243 |
|
[DMS]C:8503 |
1 |
1 |
207 |
f |
[MG]C:3003 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.009 |
190 |
244 |
|
[DMS]D:8503 |
1 |
1 |
207 |
f |
[DMS]D:8402 |
x,y,z |
1_555 |
2 |
1 |
209 |
6.3 |
0.4 |
0.331 |
0 |
0 |
0 |
0.000 |
191 |
245 |
|
[DMS]C:8417 |
1 |
1 |
208 |
f |
[DMS]C:8409 |
x,y,z |
1_555 |
1 |
1 |
208 |
5.9 |
0.4 |
0.250 |
0 |
0 |
0 |
0.000 |
192 |
246 |
|
D |
4 |
3 |
38991 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
38798 |
5.4 |
0.1 |
0.687 |
0 |
0 |
0 |
0.000 |
193 |
247 |
|
[DMS]A:8610 |
1 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
38798 |
5.2 |
0.2 |
0.413 |
0 |
0 |
0 |
0.000 |
194 |
248 |
|
[DMS]A:8612 |
1 |
1 |
208 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
2 |
38798 |
5.1 |
0.1 |
0.324 |
0 |
0 |
0 |
0.000 |
195 |
249 |
|
[DMS]D:8503 |
1 |
1 |
207 |
f |
[DMS]D:8427 |
x,y,z |
1_555 |
1 |
1 |
208 |
5.0 |
0.3 |
0.250 |
0 |
0 |
0 |
0.000 |
196 |
250 |
|
[DMS]B:8605 |
1 |
1 |
207 |
f |
[DMS]B:8601 |
x,y,z |
1_555 |
1 |
1 |
208 |
4.5 |
0.2 |
0.250 |
0 |
0 |
0 |
0.000 |
197 |
251 |
|
[DMS]B:8502 |
1 |
1 |
208 |
f |
[DMS]B:8408 |
x,y,z |
1_555 |
1 |
1 |
208 |
4.4 |
-0.0 |
0.250 |
0 |
0 |
0 |
0.000 |
198 |
252 |
|
[DMS]D:8712 |
1 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
38708 |
4.0 |
0.1 |
0.449 |
0 |
0 |
0 |
0.000 |
199 |
253 |
|
[DMS]A:8502 |
1 |
1 |
208 |
f |
[DMS]A:8408 |
x,y,z |
1_555 |
1 |
1 |
207 |
3.9 |
0.2 |
0.250 |
0 |
0 |
0 |
0.000 |
200 |
254 |
|
[DMS]C:8412 |
1 |
1 |
208 |
f |
[DMS]C:8405 |
x,y,z |
1_555 |
1 |
1 |
208 |
3.4 |
0.1 |
0.250 |
0 |
0 |
0 |
0.000 |
201 |
255 |
|
D |
1 |
1 |
38991 |
f |
[DMS]A:8602 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
208 |
2.1 |
0.0 |
0.317 |
0 |
0 |
0 |
0.000 |
202 |
256 |
|
[DMS]D:8712 |
1 |
1 |
208 |
f |
[DMS]D:8409 |
x,y,z |
1_555 |
1 |
1 |
208 |
2.0 |
-0.0 |
0.250 |
0 |
0 |
0 |
0.000 |
203 |
257 |
|
[DMS]B:8604 |
1 |
1 |
207 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
38798 |
1.6 |
0.1 |
0.445 |
0 |
0 |
0 |
0.000 |
204 |
258 |
|
[DMS]C:8604 |
1 |
1 |
206 |
f |
[DMS]C:8601 |
x,y,z |
1_555 |
2 |
1 |
208 |
1.3 |
0.0 |
0.331 |
0 |
0 |
0 |
0.000 |
205 |
259 |
|
[DMS]A:8608 |
1 |
1 |
208 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
38991 |
0.9 |
0.1 |
0.407 |
0 |
0 |
0 |
0.000 |
|