| ## |
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 |
|
G |
377 |
109 |
29543 |
◊ |
A |
x,y,z |
1_555 |
389 |
113 |
29373 |
3629.5 |
-26.5 |
0.214 |
49 |
28 |
0 |
0.137 |
| 2 |
2 |
|
L |
367 |
103 |
17523 |
◊ |
K |
x,y,z |
1_555 |
347 |
86 |
16593 |
3570.9 |
-36.1 |
0.026 |
51 |
26 |
0 |
0.395 |
3 |
|
F |
363 |
103 |
17539 |
◊ |
E |
x,y,z |
1_555 |
345 |
86 |
16530 |
3543.3 |
-33.7 |
0.038 |
53 |
26 |
0 |
0.395 |
| Average: |
3557.1 |
-34.9 |
0.032 |
52 |
26 |
0 |
0.395 |
| 3 |
4 |
|
I |
292 |
73 |
11487 |
◊ |
H |
x,y,z |
1_555 |
300 |
79 |
12970 |
2933.5 |
-33.9 |
0.022 |
45 |
21 |
0 |
0.346 |
5 |
|
C |
290 |
76 |
11644 |
◊ |
B |
x,y,z |
1_555 |
297 |
80 |
12942 |
2923.6 |
-27.7 |
0.054 |
41 |
15 |
0 |
0.346 |
| Average: |
2928.5 |
-30.8 |
0.038 |
43 |
18 |
0 |
0.346 |
| 4 |
6 |
|
J |
236 |
54 |
7623 |
◊ |
G |
x,y,z |
1_555 |
238 |
64 |
29543 |
2228.5 |
-19.8 |
0.111 |
24 |
12 |
0 |
0.136 |
7 |
|
D |
242 |
54 |
7509 |
◊ |
A |
x,y,z |
1_555 |
243 |
65 |
29373 |
2206.8 |
-21.9 |
0.091 |
25 |
11 |
0 |
0.136 |
| Average: |
2217.6 |
-20.9 |
0.101 |
25 |
12 |
0 |
0.136 |
| 5 |
8 |
|
K |
144 |
40 |
16593 |
◊ |
J |
x,y,z |
1_555 |
151 |
33 |
7623 |
1460.0 |
-21.4 |
0.043 |
16 |
6 |
0 |
0.082 |
9 |
|
E |
142 |
38 |
16530 |
◊ |
D |
x,y,z |
1_555 |
149 |
31 |
7509 |
1443.5 |
-19.5 |
0.063 |
20 |
8 |
0 |
0.082 |
| Average: |
1451.7 |
-20.4 |
0.053 |
18 |
7 |
0 |
0.082 |
| 6 |
10 |
|
E |
105 |
30 |
16530 |
◊ |
A |
x,y,z |
1_555 |
98 |
29 |
29373 |
969.5 |
-9.4 |
0.245 |
11 |
2 |
0 |
0.041 |
11 |
|
K |
112 |
30 |
16593 |
◊ |
G |
x,y,z |
1_555 |
98 |
30 |
29543 |
942.3 |
-8.6 |
0.291 |
14 |
2 |
0 |
0.041 |
| Average: |
955.9 |
-9.0 |
0.268 |
13 |
2 |
0 |
0.041 |
| 7 |
12 |
|
C |
87 |
22 |
11644 |
◊ |
A |
x,y,z |
1_555 |
95 |
25 |
29373 |
867.1 |
-5.4 |
0.403 |
12 |
5 |
0 |
0.028 |
13 |
|
I |
85 |
22 |
11487 |
◊ |
G |
x,y,z |
1_555 |
89 |
24 |
29543 |
841.8 |
-6.0 |
0.383 |
14 |
4 |
0 |
0.028 |
| Average: |
854.5 |
-5.7 |
0.393 |
13 |
5 |
0 |
0.028 |
| 8 |
14 |
|
C |
88 |
20 |
11644 |
◊ |
G |
x,y,z |
1_555 |
84 |
23 |
29543 |
802.8 |
1.9 |
0.815 |
17 |
8 |
0 |
0.016 |
15 |
|
I |
91 |
21 |
11487 |
◊ |
A |
x,y,z |
1_555 |
85 |
23 |
29373 |
789.1 |
1.4 |
0.823 |
17 |
6 |
0 |
0.016 |
| Average: |
796.0 |
1.6 |
0.819 |
17 |
7 |
0 |
0.016 |
| 9 |
16 |
|
[FAD]A:702 |
53 |
1 |
1002 |
f |
A |
x,y,z |
1_555 |
109 |
47 |
29373 |
734.8 |
-10.0 |
0.346 |
15 |
0 |
0 |
0.090 |
17 |
|
[FAD]G:703 |
52 |
1 |
1003 |
f |
G |
x,y,z |
1_555 |
108 |
45 |
29543 |
732.4 |
-10.4 |
0.361 |
17 |
0 |
0 |
0.090 |
| Average: |
733.6 |
-10.2 |
0.354 |
16 |
0 |
0 |
0.090 |
| 10 |
18 |
|
L |
60 |
20 |
17523 |
◊ |
C |
-x,y,-z |
2_555 |
53 |
16 |
11644 |
464.2 |
2.0 |
0.713 |
2 |
3 |
0 |
0.000 |
| 11 |
19 |
|
L |
54 |
15 |
17523 |
◊ |
A |
-x,y,-z+1 |
2_556 |
56 |
17 |
29373 |
462.7 |
-0.7 |
0.600 |
2 |
1 |
0 |
0.000 |
| 12 |
20 |
|
A |
56 |
14 |
29373 |
◊ |
F |
-x+1/2,y-1/2,-z+2 |
4_547 |
46 |
14 |
17539 |
443.1 |
0.7 |
0.718 |
1 |
0 |
0 |
0.000 |
| 13 |
21 |
|
H |
39 |
11 |
12970 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
47 |
15 |
16530 |
360.5 |
2.1 |
0.823 |
7 |
8 |
0 |
0.000 |
| 14 |
22 |
|
L |
40 |
12 |
17523 |
◊ |
F |
x-1/2,y+1/2,z-1 |
3_454 |
42 |
17 |
17539 |
353.3 |
2.4 |
0.754 |
3 |
4 |
0 |
0.000 |
| 15 |
23 |
|
B |
37 |
11 |
12942 |
◊ |
G |
x,y-1,z |
1_545 |
39 |
13 |
29543 |
315.0 |
2.5 |
0.652 |
4 |
1 |
0 |
0.000 |
| 16 |
24 |
|
L |
35 |
14 |
17523 |
◊ |
A |
-x,y,-z |
2_555 |
26 |
8 |
29373 |
287.0 |
3.7 |
0.886 |
3 |
3 |
0 |
0.000 |
| 17 |
25 |
|
C |
29 |
7 |
11644 |
◊ |
F |
-x+1/2,y-1/2,-z+1 |
4_546 |
42 |
14 |
17539 |
284.5 |
-1.1 |
0.510 |
1 |
0 |
0 |
0.000 |
| 18 |
26 |
|
H |
21 |
6 |
12970 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
29373 |
235.0 |
3.3 |
0.864 |
4 |
4 |
0 |
0.000 |
27 |
|
B |
17 |
4 |
12942 |
◊ |
G |
x,y,z |
1_555 |
25 |
8 |
29543 |
192.4 |
2.3 |
0.817 |
4 |
3 |
0 |
0.000 |
| Average: |
213.7 |
2.8 |
0.841 |
4 |
4 |
0 |
0.000 |
| 19 |
28 |
|
L |
25 |
9 |
17523 |
◊ |
F |
x-1/2,y-1/2,z-1 |
3_444 |
29 |
10 |
17539 |
228.8 |
3.5 |
0.851 |
2 |
2 |
0 |
0.000 |
| 20 |
29 |
|
I |
27 |
9 |
11487 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
26 |
10 |
16530 |
220.3 |
-1.1 |
0.517 |
4 |
0 |
0 |
0.000 |
| 21 |
30 |
|
E |
29 |
9 |
16530 |
◊ |
F |
-x+1/2,y-1/2,-z+2 |
4_547 |
22 |
6 |
17539 |
204.3 |
0.8 |
0.696 |
1 |
3 |
0 |
0.000 |
| 22 |
31 |
|
[SF4]G:706 |
8 |
1 |
298 |
f |
G |
x,y,z |
1_555 |
30 |
16 |
29543 |
197.1 |
-25.4 |
0.271 |
0 |
0 |
0 |
0.066 |
| 23 |
32 |
|
[SF4]A:708 |
8 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
28 |
15 |
29373 |
193.5 |
-25.1 |
0.231 |
0 |
0 |
0 |
0.065 |
| 24 |
33 |
|
D |
19 |
5 |
7509 |
◊ |
G |
x,y,z |
1_555 |
28 |
10 |
29543 |
192.7 |
1.9 |
0.830 |
4 |
1 |
0 |
0.001 |
34 |
|
J |
18 |
5 |
7623 |
◊ |
A |
x,y,z |
1_555 |
29 |
10 |
29373 |
191.2 |
0.9 |
0.756 |
3 |
1 |
0 |
0.001 |
| Average: |
192.0 |
1.4 |
0.793 |
4 |
1 |
0 |
0.001 |
| 25 |
35 |
|
[SF4]G:707 |
8 |
1 |
294 |
f |
G |
x,y,z |
1_555 |
25 |
13 |
29543 |
184.9 |
-24.8 |
0.315 |
1 |
0 |
0 |
0.066 |
| 26 |
36 |
|
L |
26 |
11 |
17523 |
◊ |
E |
x-1/2,y+1/2,z-1 |
3_454 |
18 |
6 |
16530 |
183.9 |
0.9 |
0.703 |
2 |
4 |
0 |
0.000 |
| 27 |
37 |
|
[SF4]A:707 |
8 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
24 |
14 |
29373 |
180.0 |
-24.7 |
0.341 |
0 |
0 |
0 |
0.064 |
| 28 |
38 |
|
[9S8]B:301 |
8 |
1 |
326 |
f |
B |
x,y,z |
1_555 |
25 |
14 |
12942 |
179.7 |
-22.7 |
0.286 |
0 |
0 |
0 |
0.145 |
| 29 |
39 |
|
[SF4]E:303 |
8 |
1 |
294 |
f |
E |
x,y,z |
1_555 |
28 |
12 |
16530 |
177.8 |
-22.9 |
0.338 |
0 |
0 |
0 |
0.148 |
| 30 |
40 |
|
[SF4]A:705 |
8 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
32 |
17 |
29373 |
177.7 |
-23.0 |
0.311 |
0 |
0 |
0 |
0.060 |
| 31 |
41 |
|
[SF4]K:303 |
8 |
1 |
295 |
f |
K |
x,y,z |
1_555 |
27 |
12 |
16593 |
177.7 |
-23.5 |
0.383 |
0 |
0 |
0 |
0.147 |
| 32 |
42 |
|
[SF4]C:202 |
8 |
1 |
297 |
f |
C |
x,y,z |
1_555 |
26 |
14 |
11644 |
177.4 |
-23.7 |
0.319 |
2 |
0 |
0 |
0.157 |
| 33 |
43 |
|
[SF4]I:202 |
8 |
1 |
293 |
f |
I |
x,y,z |
1_555 |
29 |
15 |
11487 |
176.9 |
-23.4 |
0.339 |
1 |
0 |
0 |
0.145 |
| 34 |
44 |
|
[9S8]H:301 |
8 |
1 |
324 |
f |
H |
x,y,z |
1_555 |
26 |
14 |
12970 |
175.8 |
-22.2 |
0.313 |
0 |
0 |
0 |
0.135 |
| 35 |
45 |
|
[SF4]C:201 |
8 |
1 |
295 |
f |
C |
x,y,z |
1_555 |
24 |
13 |
11644 |
172.5 |
-23.1 |
0.298 |
0 |
0 |
0 |
0.148 |
| 36 |
46 |
|
[SF4]I:201 |
8 |
1 |
293 |
f |
I |
x,y,z |
1_555 |
26 |
13 |
11487 |
171.4 |
-22.7 |
0.350 |
0 |
0 |
0 |
0.138 |
| 37 |
47 |
|
[SF4]A:706 |
8 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
25 |
14 |
29373 |
166.8 |
-21.8 |
0.379 |
0 |
0 |
0 |
0.057 |
| 38 |
48 |
|
[SF4]G:705 |
8 |
1 |
294 |
f |
G |
x,y,z |
1_555 |
20 |
11 |
29543 |
166.7 |
-22.2 |
0.345 |
2 |
0 |
0 |
0.060 |
| 39 |
49 |
|
[SF4]A:703 |
8 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
29373 |
165.9 |
-21.9 |
0.402 |
2 |
0 |
0 |
0.060 |
| 40 |
50 |
|
[SF4]G:708 |
8 |
1 |
295 |
f |
G |
x,y,z |
1_555 |
24 |
13 |
29543 |
164.3 |
-22.6 |
0.465 |
0 |
0 |
0 |
0.059 |
| 41 |
51 |
|
[SF4]E:302 |
8 |
1 |
297 |
f |
E |
x,y,z |
1_555 |
19 |
12 |
16530 |
162.3 |
-21.1 |
0.212 |
1 |
0 |
0 |
0.139 |
| 42 |
52 |
|
[SF4]E:301 |
8 |
1 |
294 |
f |
E |
x,y,z |
1_555 |
32 |
12 |
16530 |
159.5 |
-20.1 |
0.293 |
1 |
0 |
0 |
0.133 |
| 43 |
53 |
|
[9S8]H:302 |
8 |
1 |
327 |
f |
H |
x,y,z |
1_555 |
23 |
13 |
12970 |
159.1 |
-20.8 |
0.216 |
2 |
0 |
0 |
0.141 |
54 |
|
[9S8]B:302 |
8 |
1 |
325 |
f |
B |
x,y,z |
1_555 |
19 |
13 |
12942 |
158.9 |
-21.2 |
0.180 |
2 |
0 |
0 |
0.141 |
| Average: |
159.0 |
-21.0 |
0.198 |
2 |
0 |
0 |
0.141 |
| 44 |
55 |
|
[NFU]L:501 |
8 |
1 |
299 |
f |
L |
x,y,z |
1_555 |
16 |
10 |
17523 |
159.0 |
-6.7 |
0.255 |
0 |
0 |
0 |
0.042 |
56 |
|
[NFU]F:501 |
8 |
1 |
300 |
f |
F |
x,y,z |
1_555 |
16 |
10 |
17539 |
158.4 |
-5.8 |
0.247 |
0 |
0 |
0 |
0.042 |
| Average: |
158.7 |
-6.2 |
0.251 |
0 |
0 |
0 |
0.042 |
| 45 |
57 |
|
[SF4]G:709 |
8 |
1 |
295 |
f |
G |
x,y,z |
1_555 |
23 |
14 |
29543 |
158.7 |
-21.2 |
0.452 |
0 |
0 |
0 |
0.055 |
| 46 |
58 |
|
[SF4]K:302 |
8 |
1 |
293 |
f |
K |
x,y,z |
1_555 |
17 |
10 |
16593 |
158.3 |
-20.8 |
0.179 |
1 |
0 |
0 |
0.133 |
| 47 |
59 |
|
[TRS]D:203 |
7 |
1 |
256 |
f |
D |
x,y,z |
1_555 |
22 |
10 |
7509 |
156.5 |
3.4 |
0.274 |
10 |
0 |
0 |
0.006 |
| 48 |
60 |
|
[SF4]G:704 |
8 |
1 |
297 |
f |
G |
x,y,z |
1_555 |
21 |
12 |
29543 |
156.0 |
-19.8 |
0.268 |
0 |
0 |
0 |
0.052 |
| 49 |
61 |
|
[SF4]K:301 |
8 |
1 |
295 |
f |
K |
x,y,z |
1_555 |
28 |
11 |
16593 |
155.8 |
-20.0 |
0.259 |
1 |
0 |
0 |
0.128 |
| 50 |
62 |
|
[COM]B:303 |
7 |
1 |
265 |
f |
B |
x,y,z |
1_555 |
27 |
14 |
12942 |
154.8 |
-1.1 |
0.363 |
3 |
0 |
0 |
0.016 |
| 51 |
63 |
|
[SF4]A:704 |
8 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
29373 |
151.4 |
-18.8 |
0.261 |
0 |
0 |
0 |
0.049 |
| 52 |
64 |
|
[COM]H:303 |
7 |
1 |
263 |
f |
H |
x,y,z |
1_555 |
30 |
15 |
12970 |
148.1 |
-0.9 |
0.426 |
5 |
0 |
0 |
0.019 |
| 53 |
65 |
|
I |
15 |
5 |
11487 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
11644 |
146.2 |
-1.9 |
0.326 |
0 |
0 |
0 |
0.002 |
| 54 |
66 |
|
L |
14 |
4 |
17523 |
◊ |
E |
-x,y,-z+1 |
2_556 |
13 |
5 |
16530 |
134.1 |
0.5 |
0.704 |
1 |
1 |
0 |
0.000 |
| 55 |
67 |
|
[GOL]H:304 |
6 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
21 |
6 |
12970 |
132.9 |
-0.9 |
0.475 |
0 |
0 |
0 |
0.006 |
| 56 |
68 |
|
G |
12 |
3 |
29543 |
◊ |
A |
x,y-1,z |
1_545 |
16 |
6 |
29373 |
132.7 |
0.5 |
0.721 |
1 |
0 |
0 |
0.000 |
| 57 |
69 |
|
[PE3]G:701 |
12 |
1 |
437 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
29373 |
131.3 |
-3.3 |
0.713 |
0 |
0 |
0 |
0.009 |
| 58 |
70 |
|
[FES]D:201 |
4 |
1 |
239 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
7509 |
126.7 |
-17.0 |
0.598 |
1 |
0 |
0 |
0.094 |
| 59 |
71 |
|
[GOL]K:304 |
6 |
1 |
221 |
f |
K |
x,y,z |
1_555 |
19 |
8 |
16593 |
124.2 |
-0.9 |
0.480 |
2 |
0 |
0 |
0.011 |
| 60 |
72 |
|
[FES]J:200 |
4 |
1 |
237 |
f |
J |
x,y,z |
1_555 |
17 |
10 |
7623 |
124.0 |
-16.9 |
0.555 |
2 |
0 |
0 |
0.100 |
| 61 |
73 |
|
[ACT]A:701 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
29373 |
116.7 |
-1.5 |
0.517 |
0 |
0 |
0 |
0.004 |
| 62 |
74 |
|
K |
13 |
4 |
16593 |
◊ |
C |
-x,y,-z |
2_555 |
14 |
5 |
11644 |
111.0 |
0.1 |
0.660 |
0 |
0 |
0 |
0.000 |
| 63 |
75 |
|
B |
12 |
4 |
12942 |
◊ |
A |
x,y-1,z |
1_545 |
14 |
5 |
29373 |
104.2 |
-1.2 |
0.408 |
0 |
0 |
0 |
0.000 |
| 64 |
76 |
|
C |
12 |
3 |
11644 |
◊ |
K |
-x,y-1,-z |
2_545 |
12 |
5 |
16593 |
101.8 |
1.1 |
0.776 |
2 |
3 |
0 |
0.000 |
| 65 |
77 |
|
[GOL]A:710 |
5 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
29373 |
99.6 |
-0.0 |
0.566 |
2 |
0 |
0 |
0.001 |
| 66 |
78 |
|
[PE3]G:701 |
8 |
1 |
437 |
◊ |
G |
x,y,z |
1_555 |
15 |
5 |
29543 |
96.5 |
-1.9 |
0.707 |
0 |
0 |
0 |
0.005 |
| 67 |
79 |
|
[GOL]G:710 |
5 |
1 |
221 |
f |
G |
x,y,z |
1_555 |
12 |
6 |
29543 |
94.2 |
-0.5 |
0.485 |
1 |
0 |
0 |
0.002 |
| 68 |
80 |
|
[GOL]A:709 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
21 |
6 |
29373 |
93.1 |
-0.3 |
0.588 |
1 |
0 |
0 |
0.002 |
| 69 |
81 |
|
[ACT]G:702 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
11 |
5 |
29543 |
79.4 |
0.3 |
0.735 |
2 |
0 |
0 |
0.002 |
| 70 |
82 |
|
[ACT]D:202 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
7509 |
76.5 |
0.4 |
0.745 |
1 |
0 |
0 |
0.000 |
| 71 |
83 |
|
[GOL]G:710 |
6 |
1 |
221 |
◊ |
I |
x,y,z |
1_555 |
14 |
6 |
11487 |
76.0 |
-0.0 |
0.566 |
1 |
0 |
0 |
0.000 |
| 72 |
84 |
|
[GOL]A:710 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
11644 |
75.6 |
-1.0 |
0.409 |
1 |
0 |
0 |
0.009 |
| 73 |
85 |
|
[FE]L:502 |
1 |
1 |
137 |
f |
L |
x,y,z |
1_555 |
9 |
7 |
17523 |
63.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.075 |
86 |
|
[FE]F:502 |
1 |
1 |
137 |
cf |
F |
x,y,z |
1_555 |
8 |
5 |
17539 |
61.7 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.075 |
| Average: |
62.8 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.075 |
| 74 |
87 |
|
I |
12 |
5 |
11487 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
12 |
6 |
29373 |
63.1 |
0.3 |
0.681 |
0 |
0 |
0 |
0.000 |
| 75 |
88 |
|
B |
7 |
4 |
12942 |
◊ |
L |
-x,y-1,-z |
2_545 |
9 |
3 |
17523 |
62.5 |
0.3 |
0.531 |
0 |
0 |
0 |
0.000 |
| 76 |
89 |
|
[SF4]A:704 |
4 |
1 |
296 |
◊ |
G |
x,y,z |
1_555 |
13 |
5 |
29543 |
61.9 |
-6.9 |
0.230 |
0 |
0 |
0 |
0.018 |
| 77 |
90 |
|
K |
11 |
4 |
16593 |
◊ |
G |
-x,y,-z |
2_555 |
10 |
3 |
29543 |
61.6 |
0.5 |
0.730 |
0 |
0 |
0 |
0.000 |
| 78 |
91 |
|
[SF4]K:301 |
4 |
1 |
295 |
◊ |
L |
x,y,z |
1_555 |
15 |
5 |
17523 |
59.6 |
-5.6 |
0.547 |
0 |
0 |
0 |
0.035 |
| 79 |
92 |
|
[SF4]E:301 |
4 |
1 |
294 |
◊ |
F |
x,y,z |
1_555 |
15 |
5 |
17539 |
57.8 |
-5.3 |
0.557 |
0 |
0 |
0 |
0.034 |
| 80 |
93 |
|
[GOL]A:709 |
4 |
1 |
222 |
◊ |
I |
x,y,z |
1_555 |
8 |
2 |
11487 |
57.7 |
-0.4 |
0.517 |
0 |
0 |
0 |
0.000 |
| 81 |
94 |
|
[SF4]G:704 |
4 |
1 |
297 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
29373 |
53.7 |
-5.6 |
0.325 |
0 |
0 |
0 |
0.015 |
| 82 |
95 |
|
[SF4]K:302 |
4 |
1 |
293 |
◊ |
L |
x,y,z |
1_555 |
9 |
3 |
17523 |
53.1 |
-4.2 |
0.763 |
0 |
0 |
0 |
0.026 |
| 83 |
96 |
|
[SF4]E:302 |
4 |
1 |
297 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
17539 |
48.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.024 |
| 84 |
97 |
|
[COM]H:303 |
4 |
1 |
263 |
f |
[9S8]H:302 |
x,y,z |
1_555 |
5 |
1 |
327 |
45.6 |
-4.1 |
0.622 |
0 |
0 |
0 |
0.025 |
| 85 |
98 |
|
[9S8]H:302 |
2 |
1 |
327 |
◊ |
I |
x,y,z |
1_555 |
9 |
3 |
11487 |
42.9 |
-3.3 |
0.639 |
0 |
0 |
0 |
0.021 |
99 |
|
[9S8]B:302 |
2 |
1 |
325 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
11644 |
42.5 |
-3.2 |
0.636 |
0 |
0 |
0 |
0.021 |
| Average: |
42.7 |
-3.3 |
0.638 |
0 |
0 |
0 |
0.021 |
| 86 |
100 |
|
[9S8]H:301 |
4 |
1 |
324 |
◊ |
I |
x,y,z |
1_555 |
8 |
4 |
11487 |
42.5 |
-4.4 |
0.601 |
0 |
0 |
0 |
0.027 |
| 87 |
101 |
|
[COM]B:303 |
3 |
1 |
265 |
f |
[9S8]B:302 |
x,y,z |
1_555 |
5 |
1 |
325 |
41.8 |
-4.4 |
0.480 |
0 |
0 |
0 |
0.028 |
| 88 |
102 |
|
[9S8]B:301 |
4 |
1 |
326 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
11644 |
41.4 |
-4.2 |
0.703 |
0 |
0 |
0 |
0.027 |
| 89 |
103 |
|
F |
2 |
2 |
17539 |
◊ |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
8 |
3 |
29373 |
37.8 |
-0.5 |
0.181 |
0 |
0 |
0 |
0.000 |
| 90 |
104 |
|
[GOL]A:709 |
4 |
1 |
222 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
12970 |
34.4 |
0.2 |
0.613 |
1 |
0 |
0 |
0.000 |
| 91 |
105 |
|
I |
5 |
1 |
11487 |
f |
[ACT]D:202 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
184 |
33.1 |
-0.9 |
0.333 |
0 |
0 |
0 |
0.005 |
| 92 |
106 |
|
H |
5 |
3 |
12970 |
◊ |
F |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
17539 |
32.0 |
0.1 |
0.615 |
0 |
0 |
0 |
0.000 |
| 93 |
107 |
|
[SF4]G:709 |
3 |
1 |
295 |
◊ |
K |
x,y,z |
1_555 |
6 |
3 |
16593 |
30.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.003 |
| 94 |
108 |
|
[FAD]A:702 |
3 |
1 |
1002 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
29543 |
29.5 |
1.2 |
0.799 |
1 |
0 |
0 |
0.000 |
109 |
|
[FAD]G:703 |
3 |
1 |
1003 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
29373 |
20.0 |
0.2 |
0.579 |
0 |
0 |
0 |
0.000 |
| Average: |
24.7 |
0.7 |
0.689 |
1 |
0 |
0 |
0.000 |
| 95 |
110 |
|
[SF4]A:706 |
3 |
1 |
296 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
16530 |
26.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.003 |
| 96 |
111 |
|
I |
6 |
3 |
11487 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
6 |
7509 |
23.7 |
-0.2 |
0.577 |
0 |
0 |
0 |
0.000 |
| 97 |
112 |
|
D |
5 |
2 |
7509 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
12970 |
23.5 |
0.6 |
0.774 |
0 |
0 |
0 |
0.000 |
113 |
|
J |
4 |
1 |
7623 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12942 |
22.8 |
0.5 |
0.736 |
0 |
0 |
0 |
0.000 |
| Average: |
23.2 |
0.6 |
0.755 |
0 |
0 |
0 |
0.000 |
| 98 |
114 |
|
I |
4 |
1 |
11487 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
12970 |
22.2 |
0.7 |
0.792 |
1 |
1 |
0 |
0.000 |
| 99 |
115 |
|
[FE]L:502 |
1 |
1 |
137 |
◊ |
K |
x,y,z |
1_555 |
5 |
2 |
16593 |
20.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.015 |
116 |
|
[FE]F:502 |
1 |
1 |
137 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
16530 |
19.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
20.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.015 |
| 100 |
117 |
|
[SF4]G:708 |
2 |
1 |
295 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
7623 |
16.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.004 |
| 101 |
118 |
|
[SF4]A:703 |
2 |
1 |
293 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
29543 |
13.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.004 |
| 102 |
119 |
|
[COM]H:303 |
2 |
1 |
263 |
f |
[9S8]H:301 |
x,y,z |
1_555 |
3 |
1 |
324 |
12.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
| 103 |
120 |
|
[SF4]A:705 |
2 |
1 |
294 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
7509 |
12.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.003 |
| 104 |
121 |
|
[SF4]I:201 |
1 |
1 |
293 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
29373 |
12.3 |
-1.5 |
0.560 |
0 |
0 |
0 |
0.002 |
| 105 |
122 |
|
[SF4]E:303 |
2 |
1 |
294 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
29373 |
11.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
| 106 |
123 |
|
[SF4]K:303 |
1 |
1 |
295 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
29543 |
11.5 |
-1.5 |
0.562 |
0 |
0 |
0 |
0.002 |
| 107 |
124 |
|
L |
2 |
2 |
17523 |
◊ |
B |
-x,y,-z |
2_555 |
2 |
1 |
12942 |
11.5 |
0.0 |
0.503 |
0 |
0 |
0 |
0.000 |
| 108 |
125 |
|
[SF4]G:705 |
1 |
1 |
294 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
29373 |
11.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.003 |
| 109 |
126 |
|
[GOL]G:710 |
2 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
29373 |
10.5 |
0.4 |
0.746 |
0 |
0 |
0 |
0.000 |
| 110 |
127 |
|
[COM]H:303 |
1 |
1 |
263 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
11487 |
10.4 |
0.2 |
0.471 |
0 |
0 |
0 |
0.000 |
| 111 |
128 |
|
[SF4]C:201 |
1 |
1 |
295 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
29543 |
10.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.001 |
| 112 |
129 |
|
F |
1 |
1 |
17539 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7509 |
10.1 |
0.5 |
0.877 |
0 |
0 |
0 |
0.000 |
130 |
|
L |
1 |
1 |
17523 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
7623 |
7.9 |
0.4 |
0.862 |
0 |
0 |
0 |
0.000 |
| Average: |
9.0 |
0.4 |
0.869 |
0 |
0 |
0 |
0.000 |
| 113 |
131 |
|
[COM]B:303 |
2 |
1 |
265 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
11644 |
9.5 |
0.2 |
0.456 |
0 |
0 |
0 |
0.000 |
| 114 |
132 |
|
[COM]B:303 |
3 |
1 |
265 |
f |
[9S8]B:301 |
x,y,z |
1_555 |
2 |
1 |
326 |
8.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
| 115 |
133 |
|
[GOL]A:710 |
2 |
1 |
221 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
29543 |
8.5 |
0.3 |
0.741 |
0 |
0 |
0 |
0.000 |
| 116 |
134 |
|
[TRS]D:203 |
3 |
1 |
256 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
29373 |
8.3 |
0.0 |
0.624 |
0 |
0 |
0 |
0.000 |
| 117 |
135 |
|
[FES]J:200 |
2 |
1 |
237 |
◊ |
G |
x,y,z |
1_555 |
2 |
2 |
29543 |
6.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.001 |
| 118 |
136 |
|
K |
1 |
1 |
16593 |
◊ |
J |
-x,y,-z |
2_555 |
2 |
1 |
7623 |
5.9 |
0.1 |
0.735 |
0 |
0 |
0 |
0.000 |
| 119 |
137 |
|
[FES]D:201 |
1 |
1 |
239 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
29373 |
4.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 120 |
138 |
|
[SF4]I:202 |
1 |
1 |
293 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
12970 |
3.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
| 121 |
139 |
|
[SF4]C:202 |
1 |
1 |
297 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12942 |
2.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 122 |
140 |
|
[GOL]H:304 |
1 |
1 |
219 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
11487 |
0.7 |
-0.0 |
0.535 |
0 |
0 |
0 |
0.000 |
| 123 |
141 |
|
E |
1 |
1 |
16530 |
x |
E |
-x+1/2,y-1/2,-z+2 |
4_547 |
1 |
1 |
16530 |
0.1 |
-0.0 |
0.659 |
0 |
0 |
0 |
0.000 |
|