| ## |
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 |
|
L |
152 |
39 |
7798 |
◊ |
J |
x,y,z |
1_555 |
139 |
34 |
7826 |
1351.3 |
-5.9 |
0.501 |
37 |
21 |
0 |
1.000 |
2 |
|
C |
136 |
34 |
7731 |
◊ |
B |
x,y,z |
1_555 |
156 |
41 |
7764 |
1340.4 |
-5.6 |
0.524 |
39 |
21 |
0 |
1.000 |
3 |
|
C |
155 |
39 |
7731 |
◊ |
A |
x,y,z |
1_555 |
138 |
34 |
7653 |
1326.6 |
-5.6 |
0.506 |
39 |
21 |
0 |
1.000 |
4 |
|
K |
132 |
35 |
7836 |
◊ |
J |
x,y,z |
1_555 |
149 |
39 |
7826 |
1322.4 |
-5.1 |
0.526 |
38 |
21 |
0 |
1.000 |
5 |
|
E |
136 |
35 |
7818 |
◊ |
D |
x,y,z |
1_555 |
150 |
39 |
8019 |
1322.1 |
-3.9 |
0.588 |
39 |
21 |
0 |
1.000 |
6 |
|
F |
155 |
40 |
7924 |
◊ |
D |
x,y,z |
1_555 |
140 |
35 |
8019 |
1321.4 |
-7.3 |
0.410 |
35 |
18 |
0 |
1.000 |
7 |
|
I |
155 |
40 |
7725 |
◊ |
G |
x,y,z |
1_555 |
137 |
35 |
7691 |
1317.8 |
-6.0 |
0.488 |
37 |
20 |
0 |
1.000 |
8 |
|
F |
135 |
35 |
7924 |
◊ |
E |
x,y,z |
1_555 |
151 |
38 |
7818 |
1311.2 |
-4.8 |
0.536 |
40 |
22 |
0 |
1.000 |
9 |
|
H |
139 |
35 |
7699 |
◊ |
G |
x,y,z |
1_555 |
151 |
39 |
7691 |
1295.2 |
-6.9 |
0.457 |
37 |
20 |
0 |
1.000 |
10 |
|
L |
138 |
35 |
7798 |
◊ |
K |
x,y,z |
1_555 |
151 |
40 |
7836 |
1289.2 |
-4.2 |
0.557 |
38 |
22 |
0 |
1.000 |
11 |
|
I |
136 |
34 |
7725 |
◊ |
H |
x,y,z |
1_555 |
152 |
37 |
7699 |
1285.4 |
-6.2 |
0.469 |
37 |
21 |
0 |
1.000 |
12 |
|
B |
140 |
34 |
7764 |
◊ |
A |
x,y,z |
1_555 |
153 |
37 |
7653 |
1272.1 |
-7.1 |
0.420 |
38 |
19 |
0 |
1.000 |
| Average: |
1312.9 |
-5.7 |
0.498 |
38 |
21 |
0 |
1.000 |
| 2 |
13 |
|
J |
81 |
22 |
7826 |
◊ |
H |
x,y,z |
1_555 |
84 |
23 |
7699 |
766.4 |
-5.3 |
0.345 |
6 |
0 |
0 |
0.000 |
14 |
|
E |
78 |
21 |
7818 |
◊ |
C |
x,y,z |
1_555 |
82 |
21 |
7731 |
724.1 |
-4.0 |
0.380 |
6 |
0 |
0 |
0.000 |
15 |
|
I |
85 |
22 |
7725 |
◊ |
D |
x,y,z |
1_555 |
79 |
21 |
8019 |
723.0 |
-4.6 |
0.329 |
6 |
0 |
0 |
0.000 |
16 |
|
K |
78 |
22 |
7836 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
77 |
21 |
7764 |
708.8 |
-4.5 |
0.334 |
6 |
0 |
0 |
0.000 |
17 |
|
G |
84 |
23 |
7691 |
◊ |
F |
-x+1,y,-z+1 |
2_656 |
77 |
20 |
7924 |
707.4 |
-4.2 |
0.373 |
5 |
0 |
0 |
0.000 |
18 |
|
L |
80 |
21 |
7798 |
◊ |
A |
x,y,z |
1_555 |
81 |
22 |
7653 |
704.1 |
-4.5 |
0.338 |
7 |
0 |
0 |
0.000 |
| Average: |
722.3 |
-4.5 |
0.350 |
6 |
0 |
0 |
0.000 |
| 3 |
19 |
|
A |
43 |
12 |
7653 |
◊ |
E |
-x+3/2,y-1/2,-z+1 |
4_646 |
40 |
14 |
7818 |
363.9 |
-0.8 |
0.577 |
2 |
2 |
0 |
0.000 |
20 |
|
K |
40 |
14 |
7836 |
◊ |
H |
-x+1/2,y-1/2,-z |
4_545 |
43 |
13 |
7699 |
353.0 |
-0.8 |
0.584 |
2 |
2 |
0 |
0.000 |
| Average: |
358.4 |
-0.8 |
0.580 |
2 |
2 |
0 |
0.000 |
| 4 |
21 |
|
L |
27 |
10 |
7798 |
◊ |
I |
-x+1/2,y-1/2,-z |
4_545 |
30 |
11 |
7725 |
203.1 |
-0.3 |
0.594 |
1 |
0 |
0 |
0.000 |
22 |
|
B |
29 |
11 |
7764 |
◊ |
F |
-x+3/2,y-1/2,-z+1 |
4_646 |
30 |
11 |
7924 |
201.0 |
-0.4 |
0.573 |
1 |
0 |
0 |
0.000 |
| Average: |
202.1 |
-0.3 |
0.583 |
1 |
0 |
0 |
0.000 |
| 5 |
23 |
|
[IMD]L:339 |
5 |
1 |
196 |
◊ |
L |
x,y,z |
1_555 |
18 |
9 |
7798 |
106.2 |
3.4 |
0.420 |
0 |
0 |
0 |
0.000 |
| 6 |
24 |
|
[EDO]L:320 |
4 |
1 |
184 |
◊ |
L |
x,y,z |
1_555 |
16 |
7 |
7798 |
100.4 |
2.9 |
0.410 |
0 |
0 |
0 |
0.000 |
| 7 |
25 |
|
[ACT]A:337 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
7653 |
98.8 |
-0.9 |
0.587 |
0 |
0 |
0 |
0.009 |
| 8 |
26 |
|
[EDO]A:310 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
7764 |
90.0 |
1.4 |
0.161 |
0 |
0 |
0 |
0.000 |
| 9 |
27 |
|
[GOL]E:306 |
6 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
13 |
4 |
7818 |
88.8 |
0.3 |
0.665 |
4 |
0 |
0 |
0.122 |
| 10 |
28 |
|
[FMT]F:324 |
3 |
1 |
149 |
◊ |
F |
x,y,z |
1_555 |
17 |
8 |
7924 |
84.8 |
0.0 |
0.635 |
0 |
0 |
0 |
0.000 |
| 11 |
29 |
|
[FMT]F:326 |
3 |
1 |
149 |
f |
F |
x,y,z |
1_555 |
17 |
7 |
7924 |
81.9 |
-0.7 |
0.347 |
0 |
0 |
0 |
0.008 |
| 12 |
30 |
|
[FMT]H:334 |
3 |
1 |
149 |
f |
H |
x,y,z |
1_555 |
14 |
8 |
7699 |
80.1 |
-0.3 |
0.403 |
1 |
0 |
0 |
0.009 |
| 13 |
31 |
|
[EDO]K:308 |
4 |
1 |
186 |
◊ |
K |
x,y,z |
1_555 |
13 |
4 |
7836 |
78.8 |
2.6 |
0.302 |
4 |
0 |
0 |
0.000 |
| 14 |
32 |
|
[FMT]H:328 |
3 |
1 |
150 |
◊ |
H |
x,y,z |
1_555 |
16 |
5 |
7699 |
76.1 |
-0.0 |
0.427 |
0 |
0 |
0 |
0.000 |
| 15 |
33 |
|
[EDO]D:313 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
11 |
7 |
7818 |
75.9 |
2.1 |
0.262 |
1 |
0 |
0 |
0.000 |
| 16 |
34 |
|
[EDO]E:322 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
10 |
6 |
7924 |
75.2 |
2.2 |
0.448 |
1 |
0 |
0 |
0.000 |
35 |
|
[EDO]H:311 |
4 |
1 |
183 |
◊ |
I |
x,y,z |
1_555 |
9 |
6 |
7725 |
72.7 |
2.0 |
0.249 |
1 |
0 |
0 |
0.000 |
| Average: |
74.0 |
2.1 |
0.348 |
1 |
0 |
0 |
0.000 |
| 17 |
36 |
|
[EDO]A:310 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
7653 |
74.6 |
2.1 |
0.288 |
1 |
0 |
0 |
0.000 |
| 18 |
37 |
|
[FMT]I:330 |
3 |
1 |
149 |
f |
I |
x,y,z |
1_555 |
10 |
4 |
7725 |
73.0 |
0.0 |
0.414 |
2 |
0 |
0 |
0.011 |
| 19 |
38 |
|
[EDO]J:316 |
4 |
1 |
184 |
◊ |
K |
x,y,z |
1_555 |
10 |
6 |
7836 |
71.9 |
2.0 |
0.255 |
1 |
0 |
0 |
0.000 |
39 |
|
[EDO]C:318 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
7653 |
71.1 |
2.0 |
0.436 |
1 |
0 |
0 |
0.000 |
40 |
|
[EDO]F:312 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
12 |
7 |
8019 |
68.9 |
1.8 |
0.260 |
1 |
0 |
0 |
0.000 |
| Average: |
70.6 |
1.9 |
0.317 |
1 |
0 |
0 |
0.000 |
| 20 |
41 |
|
[EDO]G:319 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
11 |
6 |
7699 |
71.8 |
2.0 |
0.450 |
1 |
0 |
0 |
0.000 |
| 21 |
42 |
|
[EDO]I:317 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
10 |
6 |
7691 |
71.1 |
2.0 |
0.452 |
1 |
0 |
0 |
0.000 |
| 22 |
43 |
|
[EDO]I:314 |
4 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
12 |
4 |
7725 |
70.2 |
1.4 |
0.782 |
4 |
0 |
0 |
0.016 |
44 |
|
[EDO]B:309 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
7764 |
70.0 |
1.4 |
0.781 |
4 |
0 |
0 |
0.016 |
| Average: |
70.1 |
1.4 |
0.781 |
4 |
0 |
0 |
0.016 |
| 23 |
45 |
|
[FMT]L:331 |
3 |
1 |
149 |
f |
L |
x,y,z |
1_555 |
12 |
3 |
7798 |
68.1 |
-0.9 |
0.312 |
1 |
0 |
0 |
0.449 |
| 24 |
46 |
|
A |
8 |
3 |
7653 |
◊ |
[GOL]E:306 |
-x+3/2,y-1/2,-z+1 |
4_646 |
5 |
1 |
216 |
68.0 |
-0.7 |
0.455 |
0 |
0 |
0 |
0.000 |
| 25 |
47 |
|
[EDO]H:321 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
10 |
3 |
7699 |
65.5 |
2.0 |
0.911 |
3 |
0 |
0 |
0.000 |
| 26 |
48 |
|
[EDO]D:313 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
8019 |
64.7 |
1.5 |
0.233 |
2 |
0 |
0 |
0.000 |
| 27 |
49 |
|
[EDO]J:316 |
4 |
1 |
184 |
f |
J |
x,y,z |
1_555 |
7 |
4 |
7826 |
63.6 |
1.2 |
0.211 |
2 |
0 |
0 |
0.000 |
50 |
|
[EDO]C:318 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
7731 |
61.8 |
1.2 |
0.216 |
2 |
0 |
0 |
0.000 |
51 |
|
[EDO]F:312 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
7924 |
58.0 |
1.1 |
0.599 |
2 |
0 |
0 |
0.000 |
| Average: |
61.1 |
1.2 |
0.342 |
2 |
0 |
0 |
0.000 |
| 28 |
52 |
|
[EDO]H:311 |
4 |
1 |
183 |
f |
H |
x,y,z |
1_555 |
10 |
5 |
7699 |
62.7 |
1.2 |
0.226 |
2 |
0 |
0 |
0.000 |
53 |
|
[EDO]E:322 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
7818 |
62.7 |
1.2 |
0.621 |
2 |
0 |
0 |
0.000 |
| Average: |
62.7 |
1.2 |
0.424 |
2 |
0 |
0 |
0.000 |
| 29 |
54 |
|
[FMT]A:333 |
3 |
1 |
150 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
7653 |
62.7 |
0.5 |
0.705 |
0 |
0 |
0 |
0.000 |
| 30 |
55 |
|
[EDO]I:317 |
4 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
9 |
4 |
7725 |
62.4 |
1.2 |
0.642 |
2 |
0 |
0 |
0.000 |
| 31 |
56 |
|
[FMT]L:340 |
3 |
1 |
150 |
f |
L |
x,y,z |
1_555 |
10 |
4 |
7798 |
62.3 |
0.8 |
0.764 |
3 |
0 |
0 |
0.167 |
| 32 |
57 |
|
[EDO]G:319 |
4 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
7 |
4 |
7691 |
62.3 |
1.2 |
0.209 |
2 |
0 |
0 |
0.000 |
| 33 |
58 |
|
[FMT]B:345 |
3 |
1 |
150 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
7764 |
61.0 |
-0.3 |
0.385 |
3 |
0 |
0 |
0.073 |
| 34 |
59 |
|
[EDO]K:323 |
4 |
1 |
188 |
f |
L |
x,y,z |
1_555 |
14 |
7 |
7798 |
60.8 |
1.3 |
0.772 |
0 |
0 |
0 |
0.000 |
| 35 |
60 |
|
[NA]F:342 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
7924 |
59.4 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.117 |
61 |
|
[NA]A:343 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7653 |
54.8 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.117 |
| Average: |
57.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.117 |
| 36 |
62 |
|
[FMT]H:327 |
3 |
1 |
149 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
7699 |
59.1 |
1.0 |
0.764 |
2 |
0 |
0 |
0.000 |
| 37 |
63 |
|
[EDO]K:324 |
4 |
1 |
188 |
◊ |
L |
x,y,z |
1_555 |
14 |
7 |
7798 |
58.9 |
1.6 |
0.430 |
0 |
0 |
0 |
0.000 |
| 38 |
64 |
|
[FMT]I:329 |
3 |
1 |
150 |
◊ |
I |
x,y,z |
1_555 |
7 |
4 |
7725 |
58.7 |
-0.8 |
0.337 |
0 |
0 |
0 |
0.009 |
| 39 |
65 |
|
[EDO]I:314 |
3 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
7699 |
58.7 |
1.7 |
0.223 |
0 |
0 |
0 |
0.000 |
66 |
|
[EDO]B:309 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
7653 |
58.1 |
1.6 |
0.221 |
0 |
0 |
0 |
0.000 |
| Average: |
58.4 |
1.6 |
0.222 |
0 |
0 |
0 |
0.000 |
| 40 |
67 |
|
[FMT]B:332 |
3 |
1 |
148 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
7764 |
58.5 |
0.4 |
0.704 |
0 |
0 |
0 |
0.000 |
| 41 |
68 |
|
[EDO]K:308 |
4 |
1 |
186 |
◊ |
H |
-x+1/2,y-1/2,-z |
4_545 |
8 |
3 |
7699 |
58.4 |
1.4 |
0.700 |
1 |
0 |
0 |
0.000 |
| 42 |
69 |
|
[EDO]I:315 |
4 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
10 |
4 |
7725 |
58.3 |
1.2 |
0.585 |
0 |
0 |
0 |
0.000 |
| 43 |
70 |
|
[FMT]A:325 |
3 |
1 |
150 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
7764 |
56.4 |
-0.3 |
0.383 |
0 |
0 |
0 |
0.014 |
| 44 |
71 |
|
[GOL]H:305 |
4 |
1 |
213 |
◊ |
I |
x,y,z |
1_555 |
9 |
3 |
7725 |
55.8 |
0.6 |
0.671 |
2 |
0 |
0 |
0.003 |
| 45 |
72 |
|
[GOL]C:303 |
4 |
1 |
215 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
7731 |
55.7 |
0.2 |
0.585 |
1 |
0 |
0 |
0.003 |
| 46 |
73 |
|
[EDO]H:321 |
4 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
7725 |
55.6 |
0.4 |
0.548 |
1 |
0 |
0 |
0.000 |
| 47 |
74 |
|
[EDO]K:323 |
4 |
1 |
188 |
◊ |
K |
x,y,z |
1_555 |
8 |
4 |
7836 |
55.5 |
1.2 |
0.222 |
1 |
0 |
0 |
0.000 |
| 48 |
75 |
|
[GOL]E:301 |
5 |
1 |
211 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
7818 |
55.2 |
-0.3 |
0.577 |
0 |
0 |
0 |
0.003 |
| 49 |
76 |
|
[GOL]J:307 |
4 |
1 |
217 |
◊ |
J |
x,y,z |
1_555 |
7 |
3 |
7826 |
55.1 |
0.5 |
0.652 |
1 |
0 |
0 |
0.000 |
| 50 |
77 |
|
[GOL]C:303 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
7764 |
55.0 |
0.2 |
0.689 |
2 |
0 |
0 |
0.029 |
| 51 |
78 |
|
[FMT]B:332 |
3 |
1 |
148 |
f |
K |
-x+1,y,-z+1 |
2_656 |
9 |
4 |
7836 |
54.8 |
-0.9 |
0.318 |
0 |
0 |
0 |
0.078 |
| 52 |
79 |
|
[GOL]J:307 |
5 |
1 |
217 |
f |
L |
x,y,z |
1_555 |
8 |
3 |
7798 |
54.0 |
0.2 |
0.633 |
1 |
0 |
0 |
0.084 |
| 53 |
80 |
|
[GOL]E:301 |
4 |
1 |
211 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
7924 |
53.9 |
0.9 |
0.787 |
2 |
0 |
0 |
0.000 |
| 54 |
81 |
|
[FMT]I:329 |
3 |
1 |
150 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
7691 |
51.8 |
-0.3 |
0.440 |
0 |
0 |
0 |
0.004 |
| 55 |
82 |
|
[GOL]H:305 |
5 |
1 |
213 |
f |
H |
x,y,z |
1_555 |
7 |
3 |
7699 |
51.7 |
0.8 |
0.726 |
1 |
0 |
0 |
0.000 |
| 56 |
83 |
|
A |
10 |
3 |
7653 |
◊ |
D |
-x+3/2,y-1/2,-z+1 |
4_646 |
5 |
1 |
8019 |
51.5 |
-0.6 |
0.460 |
0 |
0 |
0 |
0.000 |
84 |
|
J |
5 |
1 |
7826 |
◊ |
H |
-x+1/2,y-1/2,-z |
4_545 |
10 |
3 |
7699 |
50.9 |
-0.6 |
0.466 |
0 |
0 |
0 |
0.000 |
| Average: |
51.2 |
-0.6 |
0.463 |
0 |
0 |
0 |
0.000 |
| 57 |
85 |
|
[NA]B:344 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
7731 |
51.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.104 |
86 |
|
[NA]G:341 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
6 |
3 |
7699 |
46.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.104 |
| Average: |
48.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.104 |
| 58 |
87 |
|
[GOL]J:307 |
6 |
1 |
217 |
◊ |
K |
x,y,z |
1_555 |
7 |
3 |
7836 |
51.1 |
1.1 |
0.791 |
2 |
0 |
0 |
0.000 |
| 59 |
88 |
|
[FMT]A:333 |
3 |
1 |
150 |
f |
L |
x,y,z |
1_555 |
8 |
4 |
7798 |
48.9 |
-0.9 |
0.314 |
0 |
0 |
0 |
0.292 |
| 60 |
89 |
|
[FMT]L:336 |
3 |
1 |
149 |
◊ |
L |
x,y,z |
1_555 |
9 |
4 |
7798 |
48.8 |
0.9 |
0.748 |
0 |
0 |
0 |
0.000 |
| 61 |
90 |
|
[GOL]C:303 |
5 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
7653 |
48.6 |
0.5 |
0.727 |
1 |
0 |
0 |
0.000 |
| 62 |
91 |
|
[GOL]E:301 |
4 |
1 |
211 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
8019 |
48.3 |
0.1 |
0.626 |
1 |
0 |
0 |
0.062 |
| 63 |
92 |
|
[EDO]K:324 |
4 |
1 |
188 |
f |
K |
x,y,z |
1_555 |
8 |
4 |
7836 |
48.3 |
0.9 |
0.674 |
1 |
0 |
0 |
0.000 |
| 64 |
93 |
|
L |
6 |
2 |
7798 |
◊ |
[EDO]I:315 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
186 |
48.0 |
0.9 |
0.821 |
2 |
0 |
0 |
0.000 |
| 65 |
94 |
|
A |
6 |
4 |
7653 |
◊ |
F |
-x+3/2,y-1/2,-z+1 |
4_646 |
9 |
4 |
7924 |
47.2 |
0.4 |
0.614 |
0 |
0 |
0 |
0.000 |
95 |
|
L |
9 |
4 |
7798 |
◊ |
H |
-x+1/2,y-1/2,-z |
4_545 |
7 |
4 |
7699 |
44.5 |
0.3 |
0.608 |
0 |
0 |
0 |
0.000 |
| Average: |
45.9 |
0.4 |
0.611 |
0 |
0 |
0 |
0.000 |
| 66 |
96 |
|
[GOL]H:305 |
3 |
1 |
213 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
7691 |
47.2 |
0.8 |
0.753 |
2 |
0 |
0 |
0.001 |
| 67 |
97 |
|
[NA]G:341 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
7 |
4 |
7691 |
46.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.076 |
98 |
|
[NA]B:344 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
7764 |
44.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.076 |
| Average: |
45.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.076 |
| 68 |
99 |
|
[GOL]B:304 |
4 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
7653 |
46.8 |
-0.7 |
0.470 |
1 |
0 |
0 |
0.011 |
| 69 |
100 |
|
[EDO]K:324 |
4 |
1 |
188 |
◊ |
[EDO]K:323 |
x,y,z |
1_555 |
4 |
1 |
188 |
46.7 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 70 |
101 |
|
J |
7 |
2 |
7826 |
◊ |
I |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
7725 |
46.6 |
1.3 |
0.828 |
2 |
2 |
0 |
0.000 |
102 |
|
B |
3 |
1 |
7764 |
◊ |
D |
-x+3/2,y-1/2,-z+1 |
4_646 |
6 |
1 |
8019 |
44.9 |
1.4 |
0.823 |
2 |
2 |
0 |
0.000 |
| Average: |
45.8 |
1.3 |
0.826 |
2 |
2 |
0 |
0.000 |
| 71 |
103 |
|
[GOL]H:302 |
4 |
1 |
213 |
f |
H |
x,y,z |
1_555 |
9 |
4 |
7699 |
45.2 |
-0.7 |
0.490 |
0 |
0 |
0 |
0.009 |
| 72 |
104 |
|
[IMD]J:340 |
5 |
1 |
198 |
◊ |
J |
x,y,z |
1_555 |
8 |
4 |
7826 |
44.9 |
0.9 |
0.104 |
0 |
0 |
0 |
0.000 |
| 73 |
105 |
|
[GOL]B:304 |
5 |
1 |
209 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
7731 |
44.4 |
-0.5 |
0.542 |
0 |
0 |
0 |
0.005 |
| 74 |
106 |
|
[FMT]A:335 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
7653 |
44.4 |
-0.1 |
0.516 |
1 |
0 |
0 |
0.006 |
| 75 |
107 |
|
[GOL]H:302 |
4 |
1 |
213 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
7691 |
43.9 |
-0.6 |
0.501 |
0 |
0 |
0 |
0.008 |
| 76 |
108 |
|
[FMT]A:335 |
3 |
1 |
149 |
◊ |
B |
x,y,z |
1_555 |
9 |
6 |
7764 |
43.5 |
-0.4 |
0.372 |
0 |
0 |
0 |
0.004 |
| 77 |
109 |
|
[FMT]A:325 |
3 |
1 |
150 |
◊ |
F |
-x+3/2,y-1/2,-z+1 |
4_646 |
6 |
2 |
7924 |
43.0 |
0.4 |
0.685 |
0 |
0 |
0 |
0.000 |
| 78 |
110 |
|
K |
5 |
3 |
7836 |
f |
[FMT]H:327 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
149 |
42.6 |
-0.7 |
0.247 |
0 |
0 |
0 |
0.057 |
| 79 |
111 |
|
[IMD]J:340 |
4 |
1 |
198 |
f |
L |
x,y,z |
1_555 |
7 |
3 |
7798 |
41.7 |
1.0 |
0.176 |
0 |
0 |
0 |
0.000 |
| 80 |
112 |
|
[FMT]L:340 |
3 |
1 |
150 |
◊ |
[FMT]L:336 |
x,y,z |
1_555 |
3 |
1 |
149 |
41.4 |
0.1 |
0.427 |
0 |
0 |
0 |
0.000 |
| 81 |
113 |
|
[ACT]E:338 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
8019 |
40.4 |
-0.9 |
0.546 |
0 |
0 |
0 |
0.169 |
| 82 |
114 |
|
[IMD]L:339 |
3 |
1 |
196 |
f |
I |
-x+1/2,y-1/2,-z |
4_545 |
5 |
3 |
7725 |
38.6 |
0.9 |
0.138 |
0 |
0 |
0 |
0.000 |
| 83 |
115 |
|
[GOL]B:304 |
5 |
1 |
209 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
7764 |
38.4 |
-0.3 |
0.580 |
0 |
0 |
0 |
0.003 |
| 84 |
116 |
|
[ACT]E:338 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
7924 |
38.4 |
-0.3 |
0.633 |
0 |
0 |
0 |
0.004 |
| 85 |
117 |
|
[IMD]J:340 |
4 |
1 |
198 |
◊ |
K |
x,y,z |
1_555 |
8 |
4 |
7836 |
37.4 |
0.9 |
0.131 |
0 |
0 |
0 |
0.000 |
| 86 |
118 |
|
[GOL]H:302 |
4 |
1 |
213 |
◊ |
I |
x,y,z |
1_555 |
7 |
3 |
7725 |
37.0 |
-0.2 |
0.604 |
0 |
0 |
0 |
0.003 |
| 87 |
119 |
|
[ACT]E:338 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
7818 |
31.3 |
0.1 |
0.660 |
0 |
0 |
0 |
0.000 |
| 88 |
120 |
|
[EDO]I:315 |
3 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
7699 |
31.1 |
1.7 |
0.982 |
1 |
0 |
0 |
0.000 |
| 89 |
121 |
|
[FMT]A:325 |
3 |
1 |
150 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
7653 |
31.1 |
1.1 |
0.502 |
1 |
0 |
0 |
0.000 |
| 90 |
122 |
|
L |
5 |
1 |
7798 |
f |
[FMT]H:328 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
150 |
31.0 |
-0.2 |
0.314 |
0 |
0 |
0 |
0.085 |
| 91 |
123 |
|
[FMT]B:345 |
3 |
1 |
150 |
◊ |
[FMT]A:335 |
x,y,z |
1_555 |
2 |
1 |
149 |
29.4 |
0.0 |
0.380 |
0 |
0 |
0 |
0.000 |
| 92 |
124 |
|
[ACT]A:337 |
3 |
1 |
184 |
◊ |
E |
-x+3/2,y-1/2,-z+1 |
4_646 |
7 |
3 |
7818 |
29.0 |
0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
| 93 |
125 |
|
[FMT]L:340 |
3 |
1 |
150 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
7653 |
28.8 |
0.5 |
0.744 |
0 |
0 |
0 |
0.000 |
| 94 |
126 |
|
[EDO]L:320 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
7653 |
28.6 |
0.7 |
0.868 |
1 |
0 |
0 |
0.000 |
| 95 |
127 |
|
K |
6 |
2 |
7836 |
◊ |
[FMT]H:334 |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
149 |
28.5 |
0.1 |
0.493 |
0 |
0 |
0 |
0.000 |
| 96 |
128 |
|
[FMT]B:345 |
3 |
1 |
150 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
7653 |
28.1 |
0.4 |
0.462 |
0 |
0 |
0 |
0.000 |
| 97 |
129 |
|
B |
3 |
3 |
7764 |
f |
[FMT]F:324 |
-x+3/2,y-1/2,-z+1 |
4_646 |
2 |
1 |
149 |
28.0 |
-0.7 |
0.329 |
0 |
0 |
0 |
0.031 |
| 98 |
130 |
|
[EDO]B:309 |
3 |
1 |
183 |
◊ |
F |
-x+3/2,y-1/2,-z+1 |
4_646 |
3 |
2 |
7924 |
27.8 |
0.4 |
0.458 |
0 |
0 |
0 |
0.000 |
131 |
|
L |
3 |
2 |
7798 |
◊ |
[EDO]I:314 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
184 |
27.7 |
0.4 |
0.457 |
0 |
0 |
0 |
0.000 |
| Average: |
27.7 |
0.4 |
0.458 |
0 |
0 |
0 |
0.000 |
| 99 |
132 |
|
[FMT]F:326 |
2 |
1 |
149 |
◊ |
G |
-x+1,y,-z+1 |
2_656 |
5 |
3 |
7691 |
26.8 |
0.5 |
0.650 |
1 |
0 |
0 |
0.000 |
| 100 |
133 |
|
C |
4 |
2 |
7731 |
◊ |
E |
-x+3/2,y-1/2,-z+1 |
4_646 |
4 |
2 |
7818 |
24.4 |
0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
134 |
|
K |
5 |
3 |
7836 |
◊ |
G |
-x+1/2,y-1/2,-z |
4_545 |
5 |
3 |
7691 |
18.6 |
-0.0 |
0.570 |
0 |
0 |
0 |
0.000 |
| Average: |
21.5 |
-0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
| 101 |
135 |
|
[EDO]I:315 |
3 |
1 |
186 |
f |
[EDO]H:321 |
x,y,z |
1_555 |
2 |
1 |
184 |
23.1 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 102 |
136 |
|
[FMT]L:331 |
2 |
1 |
149 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7653 |
20.9 |
-0.6 |
0.236 |
0 |
0 |
0 |
0.000 |
| 103 |
137 |
|
[GOL]B:304 |
3 |
1 |
209 |
◊ |
[EDO]C:318 |
x,y,z |
1_555 |
3 |
1 |
185 |
20.9 |
0.6 |
0.697 |
0 |
0 |
0 |
0.000 |
| 104 |
138 |
|
[EDO]L:320 |
3 |
1 |
184 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
7836 |
19.9 |
0.7 |
0.946 |
0 |
0 |
0 |
0.000 |
| 105 |
139 |
|
[GOL]H:302 |
2 |
1 |
213 |
◊ |
[EDO]G:319 |
x,y,z |
1_555 |
2 |
1 |
185 |
19.5 |
0.6 |
0.833 |
0 |
0 |
0 |
0.000 |
| 106 |
140 |
|
[GOL]H:302 |
2 |
1 |
213 |
◊ |
[EDO]I:317 |
x,y,z |
1_555 |
3 |
1 |
184 |
19.1 |
0.8 |
0.866 |
0 |
0 |
0 |
0.000 |
| 107 |
141 |
|
[ACT]E:338 |
1 |
1 |
183 |
◊ |
[EDO]F:312 |
x,y,z |
1_555 |
3 |
1 |
185 |
18.3 |
0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
| 108 |
142 |
|
[GOL]H:305 |
2 |
1 |
213 |
f |
[GOL]H:302 |
x,y,z |
1_555 |
3 |
1 |
213 |
17.7 |
-0.5 |
0.450 |
0 |
0 |
0 |
0.006 |
| 109 |
143 |
|
L |
3 |
1 |
7798 |
◊ |
[EDO]H:321 |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
184 |
15.9 |
0.6 |
0.860 |
0 |
0 |
0 |
0.000 |
| 110 |
144 |
|
[NA]F:342 |
1 |
1 |
125 |
f |
[EDO]F:312 |
x,y,z |
1_555 |
4 |
1 |
185 |
15.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.016 |
| 111 |
145 |
|
[IMD]J:340 |
2 |
1 |
198 |
◊ |
[EDO]J:316 |
x,y,z |
1_555 |
1 |
1 |
184 |
15.3 |
0.7 |
0.245 |
0 |
0 |
0 |
0.000 |
| 112 |
146 |
|
[IMD]J:340 |
5 |
1 |
198 |
f |
[GOL]J:307 |
x,y,z |
1_555 |
3 |
1 |
217 |
14.9 |
0.2 |
0.031 |
0 |
0 |
0 |
0.000 |
| 113 |
147 |
|
[GOL]H:302 |
2 |
1 |
213 |
f |
[EDO]H:311 |
x,y,z |
1_555 |
1 |
1 |
183 |
14.8 |
0.3 |
0.514 |
0 |
0 |
0 |
0.000 |
| 114 |
148 |
|
[GOL]C:303 |
3 |
1 |
215 |
◊ |
[GOL]B:304 |
x,y,z |
1_555 |
4 |
1 |
209 |
14.5 |
-0.4 |
0.526 |
0 |
0 |
0 |
0.003 |
| 115 |
149 |
|
[GOL]E:301 |
3 |
1 |
211 |
f |
[ACT]E:338 |
x,y,z |
1_555 |
4 |
1 |
183 |
14.3 |
-0.3 |
0.637 |
0 |
0 |
0 |
0.064 |
| 116 |
150 |
|
[FMT]F:326 |
2 |
1 |
149 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
7818 |
13.8 |
0.3 |
0.683 |
0 |
0 |
0 |
0.000 |
| 117 |
151 |
|
[NA]A:343 |
1 |
1 |
125 |
f |
[FMT]A:335 |
x,y,z |
1_555 |
3 |
1 |
149 |
13.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.015 |
152 |
|
[NA]G:341 |
1 |
1 |
125 |
f |
[FMT]I:329 |
x,y,z |
1_555 |
1 |
1 |
150 |
8.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
11.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.015 |
| 118 |
153 |
|
[ACT]E:338 |
1 |
1 |
183 |
◊ |
[EDO]E:322 |
x,y,z |
1_555 |
1 |
1 |
185 |
13.0 |
0.6 |
0.707 |
0 |
0 |
0 |
0.000 |
| 119 |
154 |
|
[IMD]J:340 |
3 |
1 |
198 |
◊ |
[EDO]K:324 |
x,y,z |
1_555 |
2 |
1 |
188 |
12.9 |
0.6 |
0.179 |
0 |
0 |
0 |
0.000 |
| 120 |
155 |
|
[GOL]B:304 |
1 |
1 |
209 |
f |
[FMT]A:335 |
x,y,z |
1_555 |
3 |
1 |
149 |
11.2 |
-0.3 |
0.360 |
0 |
0 |
0 |
0.003 |
| 121 |
156 |
|
[FMT]H:328 |
3 |
1 |
150 |
◊ |
[EDO]I:315 |
x,y,z |
1_555 |
1 |
1 |
186 |
11.2 |
0.2 |
0.509 |
0 |
0 |
0 |
0.000 |
| 122 |
157 |
|
[FMT]H:328 |
1 |
1 |
150 |
◊ |
[EDO]H:321 |
x,y,z |
1_555 |
2 |
1 |
184 |
11.1 |
0.5 |
0.577 |
0 |
0 |
0 |
0.000 |
| 123 |
158 |
|
[GOL]B:304 |
1 |
1 |
209 |
◊ |
[FMT]B:345 |
x,y,z |
1_555 |
3 |
1 |
150 |
10.8 |
-0.1 |
0.593 |
0 |
0 |
0 |
0.000 |
| 124 |
159 |
|
[FMT]L:336 |
1 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
7653 |
10.7 |
-0.0 |
0.250 |
0 |
0 |
0 |
0.000 |
| 125 |
160 |
|
[ACT]E:338 |
2 |
1 |
183 |
f |
[EDO]D:313 |
x,y,z |
1_555 |
2 |
1 |
185 |
9.9 |
0.4 |
0.866 |
0 |
0 |
0 |
0.000 |
| 126 |
161 |
|
[NA]F:342 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8019 |
9.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.007 |
162 |
|
[NA]A:343 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7764 |
8.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
9.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.007 |
| 127 |
163 |
|
[IMD]J:340 |
3 |
1 |
198 |
f |
[EDO]K:323 |
x,y,z |
1_555 |
2 |
1 |
188 |
9.2 |
0.4 |
0.179 |
0 |
0 |
0 |
0.000 |
| 128 |
164 |
|
[NA]A:343 |
1 |
1 |
125 |
◊ |
[FMT]B:345 |
x,y,z |
1_555 |
2 |
1 |
150 |
6.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
| 129 |
165 |
|
[FMT]I:330 |
1 |
1 |
149 |
◊ |
G |
x,y,z |
1_555 |
2 |
2 |
7691 |
4.9 |
-0.0 |
0.392 |
0 |
0 |
0 |
0.000 |
| 130 |
166 |
|
[GOL]E:306 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
7924 |
3.8 |
-0.0 |
0.436 |
0 |
0 |
0 |
0.000 |
| 131 |
167 |
|
[EDO]K:308 |
1 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
1 |
1 |
7798 |
2.6 |
-0.0 |
0.651 |
0 |
0 |
0 |
0.003 |
| 132 |
168 |
|
[ACT]A:337 |
1 |
1 |
184 |
◊ |
[GOL]E:306 |
-x+3/2,y-1/2,-z+1 |
4_646 |
2 |
1 |
216 |
1.2 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
| 133 |
169 |
|
K |
1 |
1 |
7836 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7653 |
0.4 |
-0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
|