| ## |
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 |
|
J |
64 |
12 |
12188 |
◊ |
L |
-x+3/2,y-1/2,-z |
4_645 |
125 |
33 |
12101 |
938.5 |
-8.8 |
0.103 |
16 |
0 |
0 |
0.561 |
2 |
|
B |
121 |
33 |
12301 |
◊ |
D |
-x+3/2,y-1/2,-z+1 |
4_646 |
63 |
12 |
12020 |
929.7 |
-9.4 |
0.085 |
16 |
0 |
0 |
0.561 |
3 |
|
E |
120 |
33 |
12258 |
◊ |
A |
x,y,z |
1_555 |
66 |
12 |
12029 |
928.9 |
-9.3 |
0.094 |
18 |
0 |
0 |
0.561 |
4 |
|
H |
116 |
33 |
12138 |
◊ |
G |
-x+1,y,-z+1 |
2_656 |
63 |
13 |
12339 |
927.9 |
-9.5 |
0.098 |
14 |
0 |
0 |
0.561 |
5 |
|
I |
118 |
33 |
12090 |
◊ |
F |
x,y,z |
1_555 |
68 |
13 |
12015 |
921.7 |
-8.7 |
0.116 |
17 |
0 |
0 |
0.561 |
6 |
|
K |
121 |
33 |
12347 |
◊ |
I |
-x+3/2,y-1/2,-z |
4_645 |
64 |
12 |
12090 |
915.6 |
-8.9 |
0.119 |
17 |
0 |
0 |
0.561 |
7 |
|
E |
65 |
12 |
12258 |
◊ |
G |
-x+3/2,y-1/2,-z+1 |
4_646 |
119 |
33 |
12339 |
913.6 |
-9.4 |
0.070 |
15 |
0 |
0 |
0.561 |
8 |
|
B |
60 |
12 |
12301 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
115 |
36 |
12029 |
913.3 |
-8.0 |
0.155 |
15 |
0 |
0 |
0.561 |
9 |
|
K |
64 |
14 |
12347 |
◊ |
C |
-x+2,y,-z |
2_755 |
120 |
35 |
12266 |
906.4 |
-8.2 |
0.142 |
15 |
0 |
0 |
0.561 |
10 |
|
H |
63 |
12 |
12138 |
◊ |
D |
x,y,z |
1_555 |
120 |
33 |
12020 |
900.6 |
-8.4 |
0.144 |
15 |
0 |
0 |
0.561 |
11 |
|
L |
63 |
12 |
12101 |
◊ |
F |
-x+1,y,-z |
2_655 |
120 |
32 |
12015 |
896.0 |
-9.6 |
0.076 |
15 |
0 |
0 |
0.561 |
12 |
|
J |
119 |
32 |
12188 |
◊ |
C |
x,y,z |
1_555 |
64 |
12 |
12266 |
885.1 |
-9.1 |
0.093 |
16 |
0 |
0 |
0.561 |
| Average: |
914.8 |
-8.9 |
0.108 |
16 |
0 |
0 |
0.561 |
| 2 |
13 |
|
G |
62 |
17 |
12339 |
◊ |
G |
-x+2,y,-z+1 |
2_756 |
62 |
17 |
12339 |
590.5 |
-5.9 |
0.234 |
6 |
0 |
0 |
0.213 |
14 |
|
H |
61 |
17 |
12138 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
62 |
17 |
12258 |
590.0 |
-5.9 |
0.212 |
6 |
0 |
0 |
0.213 |
15 |
|
D |
60 |
16 |
12020 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
62 |
17 |
12029 |
590.0 |
-6.0 |
0.227 |
6 |
0 |
0 |
0.213 |
16 |
|
B |
58 |
17 |
12301 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
59 |
17 |
12301 |
589.1 |
-6.0 |
0.203 |
6 |
0 |
0 |
0.213 |
17 |
|
K |
60 |
17 |
12347 |
◊ |
K |
-x+1,y,-z |
2_655 |
60 |
17 |
12347 |
588.9 |
-5.9 |
0.222 |
6 |
0 |
0 |
0.213 |
18 |
|
L |
60 |
17 |
12101 |
◊ |
L |
-x+2,y,-z |
2_755 |
60 |
17 |
12101 |
587.0 |
-5.8 |
0.202 |
6 |
0 |
0 |
0.213 |
19 |
|
J |
60 |
16 |
12188 |
◊ |
F |
-x+1,y,-z |
2_655 |
59 |
16 |
12015 |
584.9 |
-5.8 |
0.216 |
6 |
0 |
0 |
0.213 |
20 |
|
I |
63 |
17 |
12090 |
◊ |
C |
-x+2,y,-z |
2_755 |
60 |
17 |
12266 |
579.0 |
-5.6 |
0.248 |
6 |
0 |
0 |
0.213 |
| Average: |
587.4 |
-5.9 |
0.220 |
6 |
0 |
0 |
0.213 |
| 3 |
21 |
|
H |
48 |
16 |
12138 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
48 |
16 |
12138 |
471.7 |
-3.6 |
0.336 |
2 |
0 |
0 |
0.171 |
22 |
|
F |
43 |
14 |
12015 |
◊ |
F |
-x+1,y,-z |
2_655 |
43 |
14 |
12015 |
464.4 |
-4.0 |
0.278 |
2 |
0 |
0 |
0.171 |
23 |
|
E |
51 |
17 |
12258 |
◊ |
B |
x,y,z |
1_555 |
45 |
14 |
12301 |
456.1 |
-4.2 |
0.252 |
2 |
0 |
0 |
0.171 |
24 |
|
K |
46 |
15 |
12347 |
◊ |
J |
x,y,z |
1_555 |
46 |
14 |
12188 |
445.8 |
-4.3 |
0.243 |
2 |
0 |
0 |
0.171 |
25 |
|
L |
47 |
15 |
12101 |
◊ |
I |
x,y,z |
1_555 |
49 |
16 |
12090 |
432.8 |
-3.7 |
0.297 |
3 |
0 |
0 |
0.171 |
26 |
|
G |
46 |
15 |
12339 |
◊ |
D |
x,y,z |
1_555 |
48 |
15 |
12020 |
429.9 |
-4.4 |
0.248 |
2 |
0 |
0 |
0.171 |
27 |
|
A |
50 |
16 |
12029 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
48 |
15 |
12029 |
424.8 |
-3.7 |
0.314 |
2 |
0 |
0 |
0.171 |
28 |
|
C |
42 |
14 |
12266 |
◊ |
C |
-x+2,y,-z |
2_755 |
42 |
14 |
12266 |
419.9 |
-4.8 |
0.196 |
2 |
0 |
0 |
0.171 |
| Average: |
443.2 |
-4.1 |
0.271 |
2 |
0 |
0 |
0.171 |
| 4 |
29 |
|
H |
52 |
13 |
12138 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
56 |
16 |
12301 |
459.7 |
-1.7 |
0.386 |
6 |
1 |
0 |
0.147 |
30 |
|
I |
50 |
13 |
12090 |
◊ |
C |
x,y,z |
1_555 |
58 |
16 |
12266 |
454.6 |
-1.0 |
0.381 |
3 |
0 |
0 |
0.147 |
31 |
|
K |
49 |
13 |
12347 |
◊ |
J |
-x+1,y,-z |
2_655 |
58 |
16 |
12188 |
454.1 |
-1.5 |
0.404 |
3 |
0 |
0 |
0.147 |
32 |
|
E |
55 |
15 |
12258 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
40 |
11 |
12301 |
395.0 |
-2.7 |
0.315 |
2 |
0 |
0 |
0.147 |
33 |
|
L |
54 |
15 |
12101 |
◊ |
C |
-x+2,y,-z |
2_755 |
41 |
11 |
12266 |
392.9 |
-2.9 |
0.238 |
3 |
0 |
0 |
0.147 |
34 |
|
G |
41 |
11 |
12339 |
◊ |
D |
-x+2,y,-z+1 |
2_756 |
56 |
16 |
12020 |
385.1 |
-4.3 |
0.164 |
2 |
0 |
0 |
0.147 |
35 |
|
H |
54 |
15 |
12138 |
◊ |
E |
x,y,z |
1_555 |
39 |
11 |
12258 |
381.2 |
-3.4 |
0.221 |
2 |
0 |
0 |
0.147 |
36 |
|
K |
56 |
15 |
12347 |
◊ |
F |
-x+1,y,-z |
2_655 |
41 |
11 |
12015 |
374.0 |
-3.2 |
0.246 |
2 |
0 |
0 |
0.147 |
37 |
|
L |
41 |
11 |
12101 |
◊ |
I |
-x+2,y,-z |
2_755 |
53 |
15 |
12090 |
363.9 |
-3.7 |
0.177 |
1 |
0 |
0 |
0.147 |
38 |
|
D |
38 |
10 |
12020 |
◊ |
A |
x,y,z |
1_555 |
49 |
15 |
12029 |
360.4 |
-3.5 |
0.190 |
2 |
0 |
0 |
0.147 |
39 |
|
J |
37 |
10 |
12188 |
◊ |
F |
x,y,z |
1_555 |
49 |
14 |
12015 |
358.6 |
-3.5 |
0.182 |
2 |
0 |
0 |
0.147 |
40 |
|
G |
50 |
14 |
12339 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
38 |
10 |
12029 |
354.9 |
-3.6 |
0.190 |
2 |
0 |
0 |
0.147 |
| Average: |
394.5 |
-2.9 |
0.258 |
3 |
0 |
0 |
0.147 |
| 5 |
41 |
|
J |
37 |
10 |
12188 |
◊ |
B |
x,y,z |
1_555 |
37 |
12 |
12301 |
369.5 |
-2.4 |
0.378 |
4 |
3 |
0 |
0.043 |
42 |
|
L |
38 |
13 |
12101 |
◊ |
D |
x,y,z-1 |
1_554 |
35 |
11 |
12020 |
363.3 |
-2.3 |
0.382 |
4 |
1 |
0 |
0.043 |
43 |
|
H |
39 |
12 |
12138 |
◊ |
F |
-x+1,y,-z+1 |
2_656 |
37 |
11 |
12015 |
357.6 |
-2.1 |
0.427 |
3 |
3 |
0 |
0.043 |
44 |
|
C |
37 |
12 |
12266 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
37 |
11 |
12029 |
356.5 |
-1.9 |
0.443 |
1 |
3 |
0 |
0.043 |
| Average: |
361.7 |
-2.2 |
0.408 |
3 |
3 |
0 |
0.043 |
| 6 |
45 |
|
K |
36 |
11 |
12347 |
◊ |
E |
x,y,z-1 |
1_554 |
35 |
10 |
12258 |
332.0 |
-0.2 |
0.605 |
3 |
4 |
0 |
0.013 |
46 |
|
I |
29 |
8 |
12090 |
◊ |
G |
x,y,z |
1_555 |
27 |
8 |
12339 |
266.5 |
-1.1 |
0.491 |
2 |
4 |
0 |
0.013 |
| Average: |
299.2 |
-0.7 |
0.548 |
3 |
4 |
0 |
0.013 |
| 7 |
47 |
|
[PE4]A:1210 |
13 |
1 |
402 |
◊ |
A |
x,y,z |
1_555 |
36 |
10 |
12029 |
205.3 |
4.5 |
0.324 |
1 |
0 |
0 |
0.000 |
| 8 |
48 |
|
[PE4]L:1209 |
13 |
1 |
415 |
◊ |
L |
x,y,z |
1_555 |
35 |
11 |
12101 |
188.6 |
5.4 |
0.386 |
1 |
0 |
0 |
0.000 |
| 9 |
49 |
|
[PE3]K:1209 |
10 |
1 |
335 |
f |
K |
x,y,z |
1_555 |
34 |
11 |
12347 |
173.7 |
-3.1 |
0.695 |
0 |
0 |
0 |
0.148 |
50 |
|
[PE3]F:1208 |
10 |
1 |
334 |
f |
F |
x,y,z |
1_555 |
33 |
10 |
12015 |
169.7 |
-3.1 |
0.696 |
0 |
0 |
0 |
0.148 |
51 |
|
[PE3]B:1210 |
10 |
1 |
337 |
f |
B |
x,y,z |
1_555 |
31 |
10 |
12301 |
169.1 |
-3.0 |
0.710 |
0 |
0 |
0 |
0.148 |
| Average: |
170.9 |
-3.1 |
0.701 |
0 |
0 |
0 |
0.148 |
| 10 |
52 |
|
[PE4]E:1210 |
13 |
1 |
401 |
◊ |
E |
x,y,z |
1_555 |
31 |
9 |
12258 |
172.4 |
4.0 |
0.343 |
0 |
0 |
0 |
0.000 |
| 11 |
53 |
|
[PE3]C:1210 |
10 |
1 |
336 |
f |
C |
x,y,z |
1_555 |
34 |
11 |
12266 |
172.0 |
-3.8 |
0.679 |
0 |
0 |
0 |
0.082 |
| 12 |
54 |
|
[PE3]H:3104 |
10 |
1 |
338 |
f |
H |
-x+1,y,-z+1 |
2_656 |
32 |
10 |
12138 |
170.3 |
-3.3 |
0.692 |
0 |
0 |
0 |
0.068 |
| 13 |
55 |
|
[PE3]G:1208 |
10 |
1 |
336 |
f |
G |
x,y,z |
1_555 |
31 |
10 |
12339 |
169.3 |
-2.6 |
0.732 |
0 |
0 |
0 |
0.086 |
| 14 |
56 |
|
[PEG]I:1209 |
7 |
1 |
260 |
f |
I |
x,y,z |
1_555 |
27 |
9 |
12090 |
127.8 |
2.7 |
0.313 |
1 |
0 |
0 |
0.000 |
| 15 |
57 |
|
K |
13 |
3 |
12347 |
◊ |
L |
x-1/2,y-1/2,z |
3_445 |
14 |
3 |
12101 |
124.5 |
-0.2 |
0.571 |
0 |
0 |
0 |
0.000 |
58 |
|
B |
11 |
3 |
12301 |
◊ |
G |
x-1/2,y-1/2,z |
3_445 |
13 |
3 |
12339 |
120.0 |
-0.4 |
0.538 |
0 |
0 |
0 |
0.000 |
59 |
|
F |
14 |
3 |
12015 |
◊ |
C |
x-1,y,z |
1_455 |
13 |
3 |
12266 |
119.7 |
-0.4 |
0.534 |
0 |
0 |
0 |
0.000 |
60 |
|
H |
14 |
3 |
12138 |
◊ |
A |
x-1,y,z |
1_455 |
12 |
3 |
12029 |
115.2 |
-0.2 |
0.562 |
0 |
0 |
0 |
0.000 |
61 |
|
J |
11 |
3 |
12188 |
◊ |
I |
x,y,z |
1_555 |
13 |
3 |
12090 |
111.8 |
-0.3 |
0.532 |
0 |
0 |
0 |
0.000 |
62 |
|
E |
9 |
3 |
12258 |
◊ |
D |
x,y,z |
1_555 |
13 |
3 |
12020 |
107.7 |
-0.5 |
0.496 |
0 |
0 |
0 |
0.000 |
| Average: |
116.5 |
-0.3 |
0.539 |
0 |
0 |
0 |
0.000 |
| 16 |
63 |
|
[CL]E:1209 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
13 |
7 |
12258 |
70.3 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.201 |
| 17 |
64 |
|
[CL]C:1209 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
12266 |
69.1 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.214 |
| 18 |
65 |
|
[CL]D:1207 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
12020 |
58.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.281 |
66 |
|
[CL]A:1207 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
12029 |
58.3 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.281 |
67 |
|
[CL]J:1206 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
10 |
3 |
12188 |
58.0 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.281 |
68 |
|
[CL]B:3111 |
1 |
1 |
125 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
10 |
3 |
12138 |
57.8 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.281 |
69 |
|
[CL]F:1207 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
11 |
3 |
12015 |
57.5 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.281 |
70 |
|
[CL]I:3103 |
1 |
1 |
125 |
◊ |
L |
-x+2,y,-z |
2_755 |
10 |
3 |
12101 |
57.5 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.281 |
71 |
|
[CL]D:1206 |
1 |
1 |
125 |
◊ |
G |
-x+2,y,-z+1 |
2_756 |
11 |
3 |
12339 |
57.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.281 |
72 |
|
[CL]E:1207 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
11 |
3 |
12258 |
57.1 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.281 |
73 |
|
[CL]I:1206 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
11 |
3 |
12090 |
57.0 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.281 |
74 |
|
[CL]E:3102 |
1 |
1 |
125 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
10 |
3 |
12301 |
57.0 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.281 |
75 |
|
[CL]J:3104 |
1 |
1 |
125 |
◊ |
K |
-x+1,y,-z |
2_655 |
10 |
3 |
12347 |
56.9 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.281 |
76 |
|
[CL]L:1207 |
1 |
1 |
125 |
◊ |
C |
-x+2,y,-z |
2_755 |
10 |
3 |
12266 |
53.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.281 |
| Average: |
57.2 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.281 |
| 19 |
77 |
|
[CL]B:1207 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
12301 |
57.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.164 |
78 |
|
[CL]K:1208 |
1 |
1 |
125 |
◊ |
J |
-x+1,y,-z |
2_655 |
8 |
4 |
12188 |
56.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.164 |
79 |
|
[CL]I:1207 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
12266 |
53.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.164 |
80 |
|
[CL]C:1208 |
1 |
1 |
125 |
◊ |
L |
-x+2,y,-z |
2_755 |
6 |
3 |
12101 |
42.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.164 |
81 |
|
[CL]D:1208 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
12029 |
41.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.164 |
82 |
|
[CL]G:1207 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
12339 |
41.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.164 |
83 |
|
[CL]E:1208 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
12138 |
41.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.164 |
84 |
|
[CL]K:1207 |
1 |
1 |
125 |
◊ |
K |
x,y,z |
1_555 |
6 |
3 |
12347 |
41.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.164 |
85 |
|
[CL]B:1208 |
1 |
1 |
125 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
6 |
3 |
12258 |
41.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.164 |
86 |
|
[CL]D:1209 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
12020 |
41.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.164 |
87 |
|
[CL]L:1208 |
1 |
1 |
125 |
◊ |
I |
-x+2,y,-z |
2_755 |
6 |
3 |
12090 |
41.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.164 |
88 |
|
[CL]J:1207 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
12015 |
40.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.164 |
| Average: |
44.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.164 |
| 20 |
89 |
|
[CL]A:1208 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
12029 |
57.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.273 |
| 21 |
90 |
|
[CL]C:1207 |
1 |
1 |
125 |
f |
[CL]C:1207 |
-x+2,y,-z |
2_755 |
1 |
1 |
125 |
53.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.116 |
| 22 |
91 |
|
[CL]C:1207 |
1 |
1 |
125 |
x |
C |
x,y,z |
1_555 |
7 |
4 |
12266 |
51.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.456 |
92 |
|
[CL]A:1209 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
7 |
4 |
12029 |
50.1 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.456 |
93 |
|
[CL]J:1208 |
1 |
1 |
125 |
x |
K |
x,y,z |
1_555 |
6 |
4 |
12347 |
49.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.456 |
94 |
|
[CL]B:1209 |
1 |
1 |
125 |
x |
E |
x,y,z |
1_555 |
7 |
4 |
12258 |
49.2 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.456 |
95 |
|
[CL]I:1208 |
1 |
1 |
125 |
x |
I |
x,y,z |
1_555 |
7 |
4 |
12090 |
49.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.456 |
96 |
|
[CL]D:1210 |
1 |
1 |
125 |
x |
G |
x,y,z |
1_555 |
6 |
4 |
12339 |
48.9 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.456 |
97 |
|
[CL]I:1208 |
1 |
1 |
125 |
x |
L |
x,y,z |
1_555 |
10 |
4 |
12101 |
48.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.456 |
98 |
|
[CL]D:1210 |
1 |
1 |
125 |
x |
D |
x,y,z |
1_555 |
7 |
4 |
12020 |
48.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.456 |
99 |
|
[CL]B:1209 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
6 |
4 |
12301 |
48.6 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.456 |
100 |
|
[CL]J:1208 |
1 |
1 |
125 |
x |
J |
x,y,z |
1_555 |
7 |
4 |
12188 |
48.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.456 |
| Average: |
49.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.456 |
| 23 |
101 |
|
[CL]L:1208 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
8 |
4 |
12101 |
51.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.435 |
102 |
|
[CL]B:1208 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
12301 |
51.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.435 |
103 |
|
[CL]J:1207 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
8 |
4 |
12188 |
50.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.435 |
104 |
|
[CL]E:1208 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
12258 |
50.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.435 |
105 |
|
[CL]D:1208 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
12020 |
50.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.435 |
106 |
|
[CL]D:1209 |
1 |
1 |
125 |
f |
G |
-x+2,y,-z+1 |
2_756 |
8 |
4 |
12339 |
50.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.435 |
107 |
|
[CL]K:1207 |
1 |
1 |
125 |
f |
F |
-x+1,y,-z |
2_655 |
7 |
4 |
12015 |
50.6 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.435 |
108 |
|
[CL]G:1207 |
1 |
1 |
125 |
f |
A |
-x+2,y,-z+1 |
2_756 |
9 |
4 |
12029 |
50.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.435 |
109 |
|
[CL]C:1208 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
12266 |
49.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.435 |
110 |
|
[CL]K:1208 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
7 |
4 |
12347 |
45.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.435 |
111 |
|
[CL]I:1207 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
8 |
4 |
12090 |
45.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.435 |
112 |
|
[CL]B:1207 |
1 |
1 |
125 |
f |
H |
-x+1,y,-z+1 |
2_656 |
7 |
4 |
12138 |
44.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.435 |
| Average: |
49.4 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.435 |
| 24 |
113 |
|
[CL]F:3132 |
1 |
1 |
125 |
x |
F |
x,y,z |
1_555 |
9 |
2 |
12015 |
50.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.398 |
114 |
|
[CL]L:3127 |
1 |
1 |
125 |
x |
L |
x,y,z |
1_555 |
9 |
2 |
12101 |
48.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.398 |
115 |
|
[CL]J:3128 |
1 |
1 |
125 |
x |
J |
x,y,z |
1_555 |
9 |
2 |
12188 |
48.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.398 |
116 |
|
[CL]E:3129 |
1 |
1 |
125 |
x |
E |
x,y,z |
1_555 |
9 |
2 |
12258 |
44.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.398 |
117 |
|
[CL]E:3129 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
8 |
2 |
12301 |
38.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.398 |
118 |
|
[CL]L:3127 |
1 |
1 |
125 |
x |
I |
x,y,z |
1_555 |
8 |
2 |
12090 |
35.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.398 |
119 |
|
[CL]J:3128 |
1 |
1 |
125 |
x |
K |
x,y,z |
1_555 |
8 |
2 |
12347 |
32.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.398 |
| Average: |
42.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.398 |
| 25 |
120 |
|
[MG]G:1206 |
1 |
1 |
98 |
f |
[MG]G:1206 |
-x+2,y,-z+1 |
2_756 |
1 |
1 |
98 |
45.6 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.151 |
| 26 |
121 |
|
[CL]F:3132 |
1 |
1 |
125 |
f |
[CL]F:3132 |
-x+1,y,-z |
2_655 |
1 |
1 |
125 |
43.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.132 |
| 27 |
122 |
|
[PE4]E:1210 |
3 |
1 |
401 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
12301 |
40.3 |
1.7 |
0.508 |
0 |
0 |
0 |
0.000 |
| 28 |
123 |
|
[MG]L:1206 |
1 |
1 |
98 |
f |
[MG]L:1206 |
-x+2,y,-z |
2_755 |
1 |
1 |
98 |
40.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.150 |
| 29 |
124 |
|
F |
8 |
4 |
12015 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
12266 |
39.6 |
0.4 |
0.680 |
0 |
0 |
0 |
0.000 |
125 |
|
H |
5 |
3 |
12138 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
12029 |
19.1 |
0.3 |
0.691 |
0 |
0 |
0 |
0.000 |
126 |
|
L |
7 |
5 |
12101 |
◊ |
K |
x,y,z |
1_555 |
7 |
5 |
12347 |
16.5 |
-0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
127 |
|
J |
6 |
4 |
12188 |
◊ |
I |
x-1/2,y-1/2,z |
3_445 |
6 |
4 |
12090 |
15.0 |
0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
128 |
|
G |
5 |
4 |
12339 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
12301 |
14.7 |
0.1 |
0.620 |
0 |
0 |
0 |
0.000 |
129 |
|
E |
5 |
3 |
12258 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
3 |
3 |
12020 |
8.0 |
0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
| Average: |
18.8 |
0.2 |
0.639 |
0 |
0 |
0 |
0.000 |
| 30 |
130 |
|
[MG]G:1206 |
1 |
1 |
98 |
x |
G |
x,y,z |
1_555 |
9 |
3 |
12339 |
38.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.319 |
131 |
|
[MG]A:1206 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
7 |
3 |
12029 |
37.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.319 |
132 |
|
[MG]C:1206 |
1 |
1 |
98 |
x |
C |
x,y,z |
1_555 |
7 |
3 |
12266 |
37.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.319 |
133 |
|
[MG]L:1206 |
1 |
1 |
98 |
x |
L |
x,y,z |
1_555 |
6 |
2 |
12101 |
37.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.319 |
134 |
|
[MG]B:1206 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
7 |
2 |
12301 |
37.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.319 |
135 |
|
[MG]C:1206 |
1 |
1 |
98 |
x |
I |
-x+2,y,-z |
2_755 |
8 |
3 |
12090 |
37.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.319 |
136 |
|
[MG]E:1206 |
1 |
1 |
98 |
x |
H |
-x+1,y,-z+1 |
2_656 |
7 |
3 |
12138 |
36.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.319 |
137 |
|
[MG]E:1206 |
1 |
1 |
98 |
x |
E |
x,y,z |
1_555 |
8 |
3 |
12258 |
36.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.319 |
138 |
|
[MG]K:1206 |
1 |
1 |
98 |
x |
K |
x,y,z |
1_555 |
6 |
3 |
12347 |
36.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.319 |
139 |
|
[MG]A:1206 |
1 |
1 |
98 |
x |
D |
-x+2,y,-z+1 |
2_756 |
7 |
3 |
12020 |
36.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.319 |
140 |
|
[MG]F:1206 |
1 |
1 |
98 |
x |
F |
x,y,z |
1_555 |
6 |
3 |
12015 |
36.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.319 |
141 |
|
[MG]F:1206 |
1 |
1 |
98 |
x |
J |
-x+1,y,-z |
2_655 |
7 |
3 |
12188 |
36.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.319 |
| Average: |
37.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.319 |
| 31 |
142 |
|
[MG]B:1206 |
1 |
1 |
98 |
f |
[MG]B:1206 |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
98 |
35.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.133 |
| 32 |
143 |
|
[CL]E:1207 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
4 |
2 |
12138 |
34.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.218 |
144 |
|
[CL]J:3104 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
5 |
2 |
12188 |
34.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.218 |
145 |
|
[CL]D:1206 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
12020 |
34.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.218 |
146 |
|
[CL]E:3102 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
12258 |
33.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.218 |
147 |
|
[CL]I:3103 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
4 |
2 |
12090 |
33.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.218 |
148 |
|
[CL]I:1206 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
12266 |
33.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.218 |
149 |
|
[CL]J:1206 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
12015 |
33.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.218 |
150 |
|
[CL]B:3111 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
12301 |
33.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.218 |
151 |
|
[CL]F:1207 |
1 |
1 |
125 |
f |
K |
-x+1,y,-z |
2_655 |
6 |
2 |
12347 |
33.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.218 |
152 |
|
[CL]A:1207 |
1 |
1 |
125 |
f |
G |
-x+2,y,-z+1 |
2_756 |
5 |
2 |
12339 |
33.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.218 |
153 |
|
[CL]D:1207 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
12029 |
32.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.218 |
154 |
|
[CL]L:1207 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
5 |
2 |
12101 |
31.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.218 |
| Average: |
33.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.218 |
| 33 |
155 |
|
[PE4]L:1209 |
2 |
1 |
415 |
f |
I |
x,y,z |
1_555 |
6 |
2 |
12090 |
29.8 |
0.9 |
0.403 |
0 |
0 |
0 |
0.000 |
| 34 |
156 |
|
I |
3 |
1 |
12090 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
2 |
1 |
12029 |
24.2 |
-0.3 |
0.428 |
0 |
0 |
0 |
0.000 |
157 |
|
F |
2 |
1 |
12015 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
12258 |
21.7 |
0.4 |
0.486 |
0 |
0 |
0 |
0.000 |
| Average: |
23.0 |
0.1 |
0.457 |
0 |
0 |
0 |
0.000 |
| 35 |
158 |
|
[PE4]A:1210 |
2 |
1 |
402 |
f |
B |
-x+2,y,-z+1 |
2_756 |
2 |
1 |
12301 |
18.5 |
1.0 |
0.447 |
0 |
0 |
0 |
0.000 |
| 36 |
159 |
|
[CL]L:1207 |
1 |
1 |
125 |
◊ |
[CL]C:1209 |
-x+2,y,-z |
2_755 |
1 |
1 |
125 |
13.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.030 |
| 37 |
160 |
|
[CL]D:1209 |
1 |
1 |
125 |
◊ |
[CL]D:1206 |
x,y,z |
1_555 |
1 |
1 |
125 |
4.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.010 |
| 38 |
161 |
|
[CL]L:1207 |
1 |
1 |
125 |
◊ |
[CL]C:1208 |
-x+2,y,-z |
2_755 |
1 |
1 |
125 |
4.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| 39 |
162 |
|
[CL]K:1207 |
1 |
1 |
125 |
◊ |
[CL]F:1207 |
-x+1,y,-z |
2_655 |
1 |
1 |
125 |
4.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 40 |
163 |
|
[CL]K:1208 |
1 |
1 |
125 |
◊ |
[CL]J:3104 |
-x+1,y,-z |
2_655 |
1 |
1 |
125 |
4.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.009 |
| 41 |
164 |
|
[PE3]H:3104 |
2 |
1 |
338 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
12138 |
3.9 |
-0.0 |
0.836 |
0 |
0 |
0 |
0.000 |
| 42 |
165 |
|
[CL]L:1208 |
1 |
1 |
125 |
◊ |
[CL]I:3103 |
-x+2,y,-z |
2_755 |
1 |
1 |
125 |
3.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.008 |
| 43 |
166 |
|
[CL]E:3102 |
1 |
1 |
125 |
◊ |
[CL]B:1208 |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
125 |
3.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.008 |
| 44 |
167 |
|
[CL]B:3111 |
1 |
1 |
125 |
◊ |
[CL]B:1207 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.007 |
| 45 |
168 |
|
[CL]G:1207 |
1 |
1 |
125 |
◊ |
[CL]A:1207 |
-x+2,y,-z+1 |
2_756 |
1 |
1 |
125 |
3.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.007 |
| 46 |
169 |
|
[CL]I:1207 |
1 |
1 |
125 |
◊ |
[CL]I:1206 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.007 |
| 47 |
170 |
|
[CL]D:1208 |
1 |
1 |
125 |
◊ |
[CL]D:1207 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.007 |
| 48 |
171 |
|
[PE3]B:1210 |
1 |
1 |
337 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12258 |
3.3 |
0.2 |
0.753 |
0 |
0 |
0 |
0.000 |
| 49 |
172 |
|
[CL]J:1207 |
1 |
1 |
125 |
◊ |
[CL]J:1206 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.007 |
| 50 |
173 |
|
[CL]E:1208 |
1 |
1 |
125 |
◊ |
[CL]E:1207 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.007 |
| 51 |
174 |
|
[PE3]G:1208 |
1 |
1 |
336 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12020 |
2.9 |
-0.0 |
0.752 |
0 |
0 |
0 |
0.001 |
| 52 |
175 |
|
C |
1 |
1 |
12266 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12301 |
0.5 |
-0.0 |
0.565 |
0 |
0 |
0 |
0.000 |
| 53 |
176 |
|
[PE3]K:1209 |
1 |
1 |
335 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
12188 |
0.2 |
0.0 |
0.683 |
0 |
0 |
0 |
0.000 |
|