| ## |
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 |
233 |
69 |
38917 |
◊ |
A |
x,y,z |
1_555 |
231 |
68 |
38985 |
2412.4 |
-9.8 |
0.448 |
24 |
16 |
0 |
0.614 |
2 |
|
C |
224 |
69 |
39017 |
◊ |
B |
x,y,z |
1_555 |
224 |
68 |
38992 |
2324.3 |
-9.4 |
0.436 |
26 |
16 |
0 |
0.614 |
| Average: |
2368.4 |
-9.6 |
0.442 |
25 |
16 |
0 |
0.614 |
| 2 |
3 |
|
D |
190 |
58 |
38917 |
◊ |
C |
x,y,z |
1_555 |
192 |
59 |
39017 |
1904.7 |
-10.8 |
0.331 |
23 |
6 |
0 |
0.458 |
4 |
|
B |
195 |
57 |
38992 |
◊ |
A |
x,y,z |
1_555 |
189 |
56 |
38985 |
1900.3 |
-10.8 |
0.336 |
21 |
6 |
0 |
0.458 |
| Average: |
1902.5 |
-10.8 |
0.333 |
22 |
6 |
0 |
0.458 |
| 3 |
5 |
|
B |
85 |
30 |
38992 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
81 |
29 |
39017 |
725.2 |
3.8 |
0.867 |
9 |
11 |
0 |
0.000 |
| 4 |
6 |
|
B |
64 |
22 |
38992 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
58 |
22 |
38917 |
532.6 |
-0.1 |
0.688 |
4 |
3 |
0 |
0.000 |
7 |
|
A |
54 |
21 |
38985 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
62 |
22 |
39017 |
501.6 |
-1.2 |
0.541 |
8 |
2 |
0 |
0.000 |
| Average: |
517.1 |
-0.6 |
0.615 |
6 |
3 |
0 |
0.000 |
| 5 |
8 |
|
D |
54 |
16 |
38917 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
60 |
15 |
38985 |
531.1 |
-0.2 |
0.677 |
4 |
8 |
0 |
0.000 |
| 6 |
9 |
|
C |
32 |
12 |
39017 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
26 |
8 |
38917 |
248.4 |
-1.8 |
0.411 |
2 |
1 |
0 |
0.000 |
10 |
|
A |
23 |
7 |
38985 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
24 |
9 |
38992 |
200.6 |
-2.0 |
0.346 |
1 |
0 |
0 |
0.000 |
| Average: |
224.5 |
-1.9 |
0.378 |
2 |
1 |
0 |
0.000 |
| 7 |
11 |
|
A |
25 |
8 |
38985 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
34 |
10 |
39017 |
245.7 |
2.0 |
0.808 |
2 |
4 |
0 |
0.000 |
| 8 |
12 |
|
[DMS]C:8003 |
4 |
1 |
213 |
f |
C |
x,y,z |
1_555 |
29 |
13 |
39017 |
147.6 |
3.3 |
0.511 |
0 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[DMS]B:8003 |
4 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
28 |
13 |
38992 |
145.8 |
3.7 |
0.631 |
1 |
0 |
0 |
0.000 |
14 |
|
[DMS]A:8003 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
29 |
13 |
38985 |
143.2 |
3.7 |
0.623 |
1 |
0 |
0 |
0.000 |
| Average: |
144.5 |
3.7 |
0.627 |
1 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[DMS]D:8003 |
4 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
25 |
12 |
38917 |
141.5 |
3.7 |
0.599 |
1 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[DMS]A:8001 |
4 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
38985 |
137.2 |
4.1 |
0.695 |
1 |
0 |
0 |
0.000 |
17 |
|
[DMS]B:8001 |
4 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
27 |
12 |
38992 |
137.2 |
4.1 |
0.567 |
1 |
0 |
0 |
0.000 |
| Average: |
137.2 |
4.1 |
0.631 |
1 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[DMS]D:8001 |
4 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
24 |
10 |
38917 |
136.8 |
4.2 |
0.693 |
1 |
0 |
0 |
0.000 |
19 |
|
[DMS]C:8001 |
4 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
26 |
12 |
39017 |
135.9 |
4.3 |
0.693 |
1 |
0 |
0 |
0.000 |
| Average: |
136.4 |
4.2 |
0.693 |
1 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[DMS]B:8023 |
4 |
1 |
214 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
38992 |
127.3 |
4.6 |
0.668 |
0 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[DMS]D:8002 |
4 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
23 |
9 |
38917 |
127.2 |
5.3 |
0.656 |
1 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[DMS]B:8002 |
4 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
38992 |
125.2 |
3.9 |
0.621 |
2 |
0 |
0 |
0.000 |
23 |
|
[DMS]A:8002 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
38985 |
124.1 |
3.9 |
0.623 |
2 |
0 |
0 |
0.000 |
| Average: |
124.6 |
3.9 |
0.622 |
2 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[DMS]A:8006 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
38985 |
124.7 |
4.2 |
0.586 |
1 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[DMS]C:8020 |
4 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
39017 |
124.4 |
3.0 |
0.564 |
1 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[DMS]A:8011 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
38985 |
124.2 |
3.1 |
0.572 |
1 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[DMS]C:8002 |
4 |
1 |
213 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
39017 |
123.5 |
3.8 |
0.623 |
2 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[DMS]D:8004 |
4 |
1 |
213 |
f |
D |
x,y,z |
1_555 |
21 |
10 |
38917 |
122.8 |
3.7 |
0.567 |
0 |
0 |
0 |
0.000 |
29 |
|
[DMS]A:8004 |
4 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
38985 |
120.8 |
3.8 |
0.604 |
0 |
0 |
0 |
0.000 |
| Average: |
121.8 |
3.8 |
0.585 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
[DMS]D:8006 |
4 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
21 |
10 |
38917 |
122.7 |
4.0 |
0.589 |
1 |
0 |
0 |
0.000 |
| 22 |
31 |
|
[DMS]C:8004 |
4 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
22 |
10 |
39017 |
122.5 |
3.5 |
0.572 |
0 |
0 |
0 |
0.000 |
| 23 |
32 |
|
[DMS]A:8010 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
38985 |
121.9 |
2.5 |
0.455 |
1 |
0 |
0 |
0.000 |
33 |
|
[DMS]C:8010 |
4 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
39017 |
119.1 |
2.4 |
0.453 |
0 |
0 |
0 |
0.000 |
| Average: |
120.5 |
2.4 |
0.454 |
1 |
0 |
0 |
0.000 |
| 24 |
34 |
|
[DMS]B:8010 |
4 |
1 |
213 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
38992 |
119.8 |
2.3 |
0.448 |
3 |
0 |
0 |
0.000 |
| 25 |
35 |
|
[DMS]B:8004 |
4 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
38992 |
119.5 |
3.2 |
0.502 |
0 |
0 |
0 |
0.000 |
| 26 |
36 |
|
[DMS]C:8011 |
4 |
1 |
213 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
39017 |
119.0 |
2.4 |
0.560 |
1 |
0 |
0 |
0.000 |
| 27 |
37 |
|
[DMS]D:8009 |
4 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
38917 |
118.7 |
2.3 |
0.453 |
2 |
0 |
0 |
0.000 |
| 28 |
38 |
|
[DMS]A:8019 |
4 |
1 |
214 |
◊ |
A |
x,y,z |
1_555 |
24 |
7 |
38985 |
117.2 |
1.9 |
0.394 |
2 |
0 |
0 |
0.000 |
| 29 |
39 |
|
[DMS]A:8021 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
38985 |
116.7 |
2.1 |
0.411 |
1 |
0 |
0 |
0.000 |
| 30 |
40 |
|
[DMS]B:8011 |
4 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
38992 |
116.0 |
2.6 |
0.587 |
1 |
0 |
0 |
0.000 |
| 31 |
41 |
|
[DMS]C:8019 |
4 |
1 |
214 |
◊ |
C |
x,y,z |
1_555 |
22 |
6 |
39017 |
115.7 |
3.6 |
0.602 |
0 |
0 |
0 |
0.000 |
| 32 |
42 |
|
[DMS]D:8010 |
4 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
17 |
9 |
38917 |
115.7 |
2.2 |
0.548 |
1 |
0 |
0 |
0.000 |
| 33 |
43 |
|
[DMS]B:8006 |
4 |
1 |
215 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
38992 |
114.0 |
3.5 |
0.534 |
0 |
0 |
0 |
0.000 |
| 34 |
44 |
|
[DMS]B:8021 |
4 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
38992 |
114.0 |
2.3 |
0.428 |
0 |
0 |
0 |
0.000 |
| 35 |
45 |
|
C |
14 |
4 |
39017 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
38985 |
113.2 |
0.8 |
0.773 |
2 |
0 |
0 |
0.001 |
46 |
|
D |
12 |
4 |
38917 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
38992 |
112.4 |
0.8 |
0.768 |
2 |
0 |
0 |
0.001 |
| Average: |
112.8 |
0.8 |
0.771 |
2 |
0 |
0 |
0.001 |
| 36 |
47 |
|
[DMS]A:8012 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
38985 |
112.9 |
2.6 |
0.458 |
0 |
0 |
0 |
0.000 |
| 37 |
48 |
|
[DMS]C:8007 |
4 |
1 |
215 |
◊ |
C |
x,y,z |
1_555 |
17 |
11 |
39017 |
112.9 |
3.7 |
0.539 |
1 |
0 |
0 |
0.000 |
49 |
|
[DMS]D:8007 |
4 |
1 |
213 |
◊ |
D |
x,y,z |
1_555 |
17 |
10 |
38917 |
108.4 |
3.6 |
0.557 |
0 |
0 |
0 |
0.000 |
| Average: |
110.6 |
3.7 |
0.548 |
1 |
0 |
0 |
0.000 |
| 38 |
50 |
|
[DMS]D:8012 |
4 |
1 |
213 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
38917 |
112.8 |
3.6 |
0.562 |
1 |
0 |
0 |
0.000 |
| 39 |
51 |
|
[DMS]B:8016 |
4 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
38992 |
110.2 |
1.5 |
0.423 |
1 |
0 |
0 |
0.000 |
| 40 |
52 |
|
[DMS]D:8008 |
4 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
38917 |
109.9 |
2.8 |
0.440 |
0 |
0 |
0 |
0.000 |
| 41 |
53 |
|
[DMS]C:8018 |
4 |
1 |
214 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
39017 |
109.2 |
1.4 |
0.326 |
1 |
0 |
0 |
0.000 |
54 |
|
[DMS]A:8017 |
4 |
1 |
214 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
38985 |
108.6 |
1.4 |
0.336 |
1 |
0 |
0 |
0.000 |
| Average: |
108.9 |
1.4 |
0.331 |
1 |
0 |
0 |
0.000 |
| 42 |
55 |
|
[DMS]A:8022 |
4 |
1 |
214 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
38985 |
108.1 |
2.3 |
0.419 |
0 |
0 |
0 |
0.000 |
| 43 |
56 |
|
[DMS]C:8008 |
4 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
39017 |
107.8 |
2.7 |
0.447 |
0 |
0 |
0 |
0.000 |
| 44 |
57 |
|
[DMS]B:8008 |
4 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
38992 |
106.8 |
0.8 |
0.339 |
0 |
0 |
0 |
0.000 |
58 |
|
[DMS]A:8008 |
4 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
38985 |
105.9 |
0.7 |
0.332 |
0 |
0 |
0 |
0.000 |
| Average: |
106.4 |
0.7 |
0.335 |
0 |
0 |
0 |
0.000 |
| 45 |
59 |
|
[DMS]A:8013 |
4 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
38985 |
106.7 |
2.1 |
0.479 |
1 |
0 |
0 |
0.000 |
| 46 |
60 |
|
[DMS]A:8016 |
4 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
38985 |
106.6 |
3.4 |
0.465 |
0 |
0 |
0 |
0.000 |
| 47 |
61 |
|
[DMS]D:8014 |
4 |
1 |
214 |
◊ |
D |
x,y,z |
1_555 |
13 |
7 |
38917 |
106.4 |
3.0 |
0.431 |
0 |
0 |
0 |
0.000 |
| 48 |
62 |
|
[DMS]C:8006 |
4 |
1 |
214 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
39017 |
106.1 |
1.2 |
0.347 |
0 |
0 |
0 |
0.000 |
| 49 |
63 |
|
[DMS]C:8014 |
4 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
38992 |
105.5 |
1.5 |
0.386 |
1 |
0 |
0 |
0.000 |
| 50 |
64 |
|
[DMS]B:8007 |
4 |
1 |
214 |
◊ |
B |
x,y,z |
1_555 |
16 |
9 |
38992 |
105.4 |
1.9 |
0.397 |
0 |
0 |
0 |
0.000 |
65 |
|
[DMS]A:8007 |
4 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
17 |
10 |
38985 |
103.8 |
1.7 |
0.379 |
0 |
0 |
0 |
0.000 |
| Average: |
104.6 |
1.8 |
0.388 |
0 |
0 |
0 |
0.000 |
| 51 |
66 |
|
[DMS]D:8013 |
4 |
1 |
213 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
38917 |
104.7 |
2.5 |
0.470 |
0 |
0 |
0 |
0.000 |
| 52 |
67 |
|
[DMS]B:8013 |
4 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
39017 |
104.7 |
1.6 |
0.394 |
1 |
0 |
0 |
0.000 |
| 53 |
68 |
|
[DMS]C:8013 |
4 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
39017 |
104.7 |
2.9 |
0.491 |
1 |
0 |
0 |
0.000 |
| 54 |
69 |
|
[DMS]B:8017 |
4 |
1 |
213 |
◊ |
B |
x,y,z |
1_555 |
19 |
10 |
38992 |
104.4 |
1.0 |
0.349 |
1 |
0 |
0 |
0.000 |
| 55 |
70 |
|
[DMS]C:8016 |
4 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
39017 |
103.3 |
1.9 |
0.467 |
0 |
0 |
0 |
0.000 |
| 56 |
71 |
|
[DMS]B:8015 |
4 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
38992 |
103.2 |
2.2 |
0.412 |
0 |
0 |
0 |
0.000 |
| 57 |
72 |
|
[DMS]A:8005 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
38985 |
96.0 |
1.2 |
0.407 |
1 |
0 |
0 |
0.000 |
73 |
|
[DMS]B:8005 |
4 |
1 |
213 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
38992 |
94.2 |
1.1 |
0.397 |
1 |
0 |
0 |
0.000 |
| Average: |
95.1 |
1.1 |
0.402 |
1 |
0 |
0 |
0.000 |
| 58 |
74 |
|
[DMS]B:8020 |
4 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
38992 |
95.9 |
2.7 |
0.536 |
2 |
0 |
0 |
0.000 |
| 59 |
75 |
|
[DMS]C:8009 |
4 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
13 |
9 |
39017 |
95.5 |
2.4 |
0.507 |
0 |
0 |
0 |
0.000 |
| 60 |
76 |
|
[DMS]D:8005 |
4 |
1 |
213 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
38917 |
94.9 |
1.1 |
0.386 |
1 |
0 |
0 |
0.000 |
| 61 |
77 |
|
[DMS]C:8005 |
4 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
39017 |
93.3 |
1.1 |
0.379 |
0 |
0 |
0 |
0.000 |
| 62 |
78 |
|
[DMS]C:8012 |
4 |
1 |
215 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
39017 |
92.6 |
1.9 |
0.463 |
1 |
0 |
0 |
0.000 |
| 63 |
79 |
|
[DMS]B:8009 |
4 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
38992 |
92.0 |
1.9 |
0.495 |
0 |
0 |
0 |
0.000 |
| 64 |
80 |
|
[DMS]B:8019 |
4 |
1 |
214 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
38992 |
90.6 |
0.5 |
0.290 |
1 |
0 |
0 |
0.000 |
| 65 |
81 |
|
[DMS]D:8011 |
4 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
38917 |
90.4 |
1.6 |
0.354 |
1 |
0 |
0 |
0.000 |
| 66 |
82 |
|
[DMS]C:8017 |
4 |
1 |
213 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
39017 |
88.3 |
1.3 |
0.417 |
1 |
0 |
0 |
0.000 |
| 67 |
83 |
|
A |
16 |
7 |
38985 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
15 |
5 |
38992 |
85.7 |
-0.3 |
0.559 |
0 |
0 |
0 |
0.000 |
| 68 |
84 |
|
[DMS]C:8015 |
4 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
39017 |
84.2 |
2.4 |
0.500 |
0 |
0 |
0 |
0.000 |
| 69 |
85 |
|
[DMS]A:8009 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
38985 |
84.1 |
1.3 |
0.356 |
0 |
0 |
0 |
0.000 |
| 70 |
86 |
|
[DMS]B:8013 |
4 |
1 |
214 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
38992 |
82.1 |
2.4 |
0.439 |
0 |
0 |
0 |
0.000 |
| 71 |
87 |
|
[DMS]C:8014 |
3 |
1 |
215 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
39017 |
81.6 |
2.4 |
0.414 |
0 |
0 |
0 |
0.000 |
| 72 |
88 |
|
[DMS]A:8015 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
38985 |
77.9 |
0.4 |
0.379 |
0 |
0 |
0 |
0.000 |
| 73 |
89 |
|
[DMS]A:8018 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
38985 |
76.6 |
0.7 |
0.425 |
2 |
0 |
0 |
0.006 |
| 74 |
90 |
|
[DMS]A:8020 |
4 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
38985 |
75.4 |
-0.8 |
0.156 |
0 |
0 |
0 |
0.021 |
| 75 |
91 |
|
[DMS]B:8014 |
4 |
1 |
213 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
38992 |
74.7 |
0.2 |
0.280 |
0 |
0 |
0 |
0.000 |
| 76 |
92 |
|
[DMS]B:8022 |
4 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
38992 |
73.6 |
0.0 |
0.346 |
0 |
0 |
0 |
0.000 |
| 77 |
93 |
|
[NA]B:3103 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
38992 |
73.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.651 |
94 |
|
[NA]A:3103 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
38985 |
73.1 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.651 |
95 |
|
[NA]C:3103 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
39017 |
72.8 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.651 |
96 |
|
[NA]D:3103 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
38917 |
72.6 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.651 |
| Average: |
73.0 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.651 |
| 78 |
97 |
|
[DMS]D:8014 |
4 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
38985 |
73.1 |
1.4 |
0.282 |
0 |
0 |
0 |
0.000 |
| 79 |
98 |
|
[NA]C:3101 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
39017 |
69.2 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.652 |
99 |
|
[NA]D:3101 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
38917 |
68.9 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.652 |
100 |
|
[NA]B:3101 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
38992 |
68.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.652 |
101 |
|
[NA]A:3101 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
38985 |
67.8 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.652 |
| Average: |
68.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.652 |
| 80 |
102 |
|
[NA]D:3102 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
38917 |
67.4 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.588 |
103 |
|
[NA]B:3102 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
38992 |
66.7 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.588 |
104 |
|
[NA]A:3102 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
38985 |
66.2 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.588 |
105 |
|
[NA]C:3102 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
39017 |
66.1 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.588 |
| Average: |
66.6 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.588 |
| 81 |
106 |
|
[DMS]B:8012 |
3 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
38992 |
66.7 |
1.5 |
0.461 |
1 |
0 |
0 |
0.000 |
| 82 |
107 |
|
[DMS]B:8018 |
3 |
1 |
215 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
38992 |
65.7 |
0.4 |
0.331 |
0 |
0 |
0 |
0.000 |
| 83 |
108 |
|
[NA]B:3104 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
38992 |
65.2 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.335 |
109 |
|
[NA]C:3104 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
39017 |
63.9 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.335 |
| Average: |
64.6 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.335 |
| 84 |
110 |
|
[MG]C:3001 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
5 |
39017 |
49.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.519 |
111 |
|
[MG]B:3001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
38992 |
49.8 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.519 |
112 |
|
[MG]A:3001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
38985 |
49.7 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.519 |
113 |
|
[MG]D:3001 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
5 |
38917 |
49.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.519 |
| Average: |
49.7 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.519 |
| 85 |
114 |
|
[DMS]B:8010 |
3 |
1 |
213 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
7 |
1 |
39017 |
47.7 |
1.6 |
0.493 |
0 |
0 |
0 |
0.000 |
| 86 |
115 |
|
[DMS]A:8012 |
2 |
1 |
215 |
f |
[DMS]A:8009 |
x,y,z |
1_555 |
3 |
1 |
215 |
41.0 |
0.9 |
0.217 |
0 |
0 |
0 |
0.000 |
| 87 |
116 |
|
[DMS]C:8016 |
2 |
1 |
214 |
f |
[DMS]C:8004 |
x,y,z |
1_555 |
2 |
1 |
214 |
40.4 |
1.9 |
0.573 |
0 |
0 |
0 |
0.000 |
| 88 |
117 |
|
[DMS]D:8013 |
3 |
1 |
213 |
f |
[DMS]D:8004 |
x,y,z |
1_555 |
2 |
1 |
213 |
37.6 |
1.7 |
0.298 |
0 |
0 |
0 |
0.000 |
| 89 |
118 |
|
[DMS]B:8018 |
3 |
1 |
215 |
◊ |
[DMS]C:8007 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
215 |
36.7 |
0.4 |
0.113 |
0 |
0 |
0 |
0.000 |
| 90 |
119 |
|
[DMS]A:8016 |
3 |
1 |
214 |
f |
[DMS]A:8004 |
x,y,z |
1_555 |
2 |
1 |
214 |
35.8 |
1.4 |
0.298 |
0 |
0 |
0 |
0.000 |
| 91 |
120 |
|
[DMS]B:8021 |
1 |
1 |
215 |
f |
[DMS]B:8009 |
x,y,z |
1_555 |
3 |
1 |
215 |
35.7 |
2.0 |
0.319 |
0 |
0 |
0 |
0.000 |
| 92 |
121 |
|
[DMS]A:8020 |
2 |
1 |
214 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
38992 |
31.1 |
-0.2 |
0.189 |
0 |
0 |
0 |
0.004 |
| 93 |
122 |
|
[DMS]B:8015 |
3 |
1 |
214 |
f |
[DMS]B:8004 |
x,y,z |
1_555 |
3 |
1 |
216 |
29.8 |
-0.2 |
0.113 |
0 |
0 |
0 |
0.003 |
| 94 |
123 |
|
[DMS]B:8012 |
3 |
1 |
214 |
f |
[DMS]B:8009 |
x,y,z |
1_555 |
2 |
1 |
215 |
27.1 |
1.2 |
0.390 |
0 |
0 |
0 |
0.000 |
| 95 |
124 |
|
[DMS]C:8006 |
3 |
1 |
214 |
f |
D |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
2 |
38917 |
21.8 |
0.2 |
0.238 |
0 |
0 |
0 |
0.000 |
| 96 |
125 |
|
B |
3 |
2 |
38992 |
f |
[DMS]C:8007 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
215 |
19.6 |
0.3 |
0.328 |
0 |
0 |
0 |
0.000 |
| 97 |
126 |
|
A |
1 |
1 |
38985 |
f |
[DMS]B:8006 |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
215 |
19.5 |
-0.3 |
0.199 |
0 |
0 |
0 |
0.009 |
| 98 |
127 |
|
[MG]B:3007 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
38992 |
18.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.032 |
| 99 |
128 |
|
[DMS]B:8018 |
2 |
1 |
215 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
7 |
5 |
39017 |
16.1 |
0.5 |
0.512 |
0 |
0 |
0 |
0.000 |
| 100 |
129 |
|
[DMS]D:8010 |
1 |
1 |
214 |
f |
[DMS]D:8005 |
x,y,z |
1_555 |
3 |
1 |
213 |
10.1 |
0.5 |
0.319 |
0 |
0 |
0 |
0.000 |
| 101 |
130 |
|
[DMS]C:8017 |
1 |
1 |
213 |
f |
[DMS]C:8002 |
x,y,z |
1_555 |
2 |
1 |
213 |
8.4 |
0.6 |
0.331 |
0 |
0 |
0 |
0.000 |
| 102 |
131 |
|
[MG]B:3007 |
1 |
1 |
98 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
39017 |
7.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 103 |
132 |
|
[DMS]A:8011 |
2 |
1 |
215 |
f |
[DMS]A:8005 |
x,y,z |
1_555 |
2 |
1 |
215 |
7.4 |
0.3 |
0.438 |
0 |
0 |
0 |
0.000 |
| 104 |
133 |
|
[DMS]A:8019 |
1 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
39017 |
7.3 |
0.3 |
0.434 |
0 |
0 |
0 |
0.000 |
| 105 |
134 |
|
[DMS]B:8019 |
2 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
38985 |
6.2 |
0.0 |
0.465 |
0 |
0 |
0 |
0.000 |
| 106 |
135 |
|
[DMS]B:8011 |
1 |
1 |
215 |
f |
[DMS]B:8005 |
x,y,z |
1_555 |
1 |
1 |
213 |
5.6 |
0.2 |
0.250 |
0 |
0 |
0 |
0.000 |
| 107 |
136 |
|
[DMS]C:8019 |
1 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
38985 |
5.2 |
0.1 |
0.453 |
0 |
0 |
0 |
0.000 |
| 108 |
137 |
|
B |
1 |
1 |
38992 |
f |
[DMS]C:8012 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
215 |
4.6 |
0.2 |
0.451 |
0 |
0 |
0 |
0.000 |
| 109 |
138 |
|
D |
1 |
1 |
38917 |
f |
[DMS]A:8022 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
214 |
4.0 |
0.1 |
0.283 |
0 |
0 |
0 |
0.000 |
| 110 |
139 |
|
[DMS]B:8016 |
1 |
1 |
216 |
f |
[DMS]B:8007 |
x,y,z |
1_555 |
1 |
1 |
214 |
3.7 |
-0.0 |
0.250 |
0 |
0 |
0 |
0.100 |
| 111 |
140 |
|
[DMS]B:8017 |
1 |
1 |
213 |
f |
C |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
39017 |
2.9 |
0.2 |
0.457 |
0 |
0 |
0 |
0.000 |
| 112 |
141 |
|
[DMS]B:8021 |
1 |
1 |
215 |
f |
[DMS]B:8012 |
x,y,z |
1_555 |
1 |
1 |
214 |
2.7 |
0.2 |
0.250 |
0 |
0 |
0 |
0.000 |
| 113 |
142 |
|
[DMS]B:8023 |
1 |
1 |
214 |
f |
C |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
39017 |
2.5 |
-0.0 |
0.304 |
0 |
0 |
0 |
0.000 |
| 114 |
143 |
|
[DMS]B:8018 |
1 |
1 |
215 |
f |
[DMS]C:8018 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
214 |
2.0 |
0.1 |
0.331 |
0 |
0 |
0 |
0.000 |
| 115 |
144 |
|
[DMS]A:8017 |
1 |
1 |
214 |
f |
[DMS]A:8007 |
x,y,z |
1_555 |
1 |
1 |
215 |
1.9 |
-0.0 |
0.250 |
0 |
0 |
0 |
0.100 |
| 116 |
145 |
|
[DMS]C:8011 |
1 |
1 |
213 |
f |
[DMS]C:8005 |
x,y,z |
1_555 |
1 |
1 |
214 |
1.7 |
0.1 |
0.250 |
0 |
0 |
0 |
0.000 |
| 117 |
146 |
|
A |
1 |
1 |
38985 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
38985 |
0.8 |
-0.0 |
0.493 |
0 |
0 |
0 |
0.000 |
|