| ## |
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 |
|
B |
177 |
58 |
11139 |
◊ |
A |
x,y,z |
1_555 |
186 |
56 |
12107 |
1737.3 |
-27.3 |
0.306 |
13 |
0 |
0 |
1.000 |
2 |
|
G |
153 |
56 |
11482 |
◊ |
F |
x,y,z |
1_555 |
167 |
56 |
11924 |
1577.9 |
-25.6 |
0.362 |
8 |
0 |
0 |
1.000 |
3 |
|
J |
144 |
51 |
10703 |
◊ |
I |
x,y,z |
1_555 |
150 |
43 |
12607 |
1397.8 |
-23.1 |
0.656 |
10 |
0 |
0 |
1.000 |
4 |
|
D |
106 |
43 |
11765 |
◊ |
C |
x,y,z |
1_555 |
122 |
40 |
12709 |
1086.2 |
-17.0 |
0.613 |
9 |
0 |
0 |
1.000 |
| Average: |
1449.8 |
-23.3 |
0.484 |
10 |
0 |
0 |
1.000 |
| 2 |
5 |
|
N |
155 |
59 |
11900 |
◊ |
M |
x,y,z |
1_555 |
167 |
55 |
12418 |
1496.1 |
-27.1 |
0.520 |
8 |
0 |
0 |
1.000 |
6 |
|
T |
151 |
54 |
11946 |
◊ |
S |
x,y,z |
1_555 |
171 |
55 |
12405 |
1470.1 |
-26.4 |
0.631 |
7 |
0 |
0 |
1.000 |
7 |
|
Q |
124 |
47 |
11986 |
◊ |
P |
x,y,z |
1_555 |
135 |
45 |
12379 |
1116.7 |
-21.4 |
0.651 |
5 |
0 |
0 |
1.000 |
8 |
|
W |
128 |
48 |
11914 |
◊ |
V |
x,y,z |
1_555 |
121 |
39 |
12251 |
1086.8 |
-18.5 |
0.854 |
6 |
0 |
0 |
1.000 |
| Average: |
1292.4 |
-23.3 |
0.664 |
7 |
0 |
0 |
1.000 |
| 3 |
9 |
|
L |
72 |
26 |
9844 |
◊ |
A |
x,y,z |
1_555 |
55 |
16 |
12107 |
625.9 |
-3.2 |
0.862 |
3 |
0 |
0 |
0.125 |
10 |
|
K |
53 |
21 |
10268 |
◊ |
I |
x,y,z |
1_555 |
43 |
15 |
12607 |
461.0 |
-4.7 |
0.722 |
5 |
4 |
0 |
0.125 |
11 |
|
H |
53 |
22 |
10145 |
◊ |
F |
x,y,z |
1_555 |
41 |
15 |
11924 |
457.5 |
-3.3 |
0.792 |
4 |
5 |
0 |
0.125 |
12 |
|
E |
42 |
21 |
10269 |
◊ |
C |
x,y,z |
1_555 |
38 |
15 |
12709 |
421.7 |
-5.9 |
0.594 |
3 |
0 |
0 |
0.125 |
| Average: |
491.5 |
-4.3 |
0.743 |
4 |
2 |
0 |
0.125 |
| 4 |
13 |
|
M |
49 |
14 |
12418 |
◊ |
O |
x,y,z |
1_555 |
57 |
25 |
10328 |
495.3 |
-5.9 |
0.515 |
3 |
0 |
0 |
0.243 |
14 |
|
S |
48 |
15 |
12405 |
◊ |
U |
x,y,z |
1_555 |
44 |
17 |
9841 |
454.0 |
-2.8 |
0.853 |
4 |
5 |
0 |
0.243 |
15 |
|
V |
42 |
16 |
12251 |
◊ |
X |
x,y,z |
1_555 |
52 |
19 |
10376 |
411.6 |
-3.8 |
0.867 |
3 |
0 |
0 |
0.243 |
16 |
|
P |
37 |
16 |
12379 |
◊ |
R |
x,y,z |
1_555 |
39 |
19 |
10141 |
327.5 |
-4.5 |
0.659 |
0 |
0 |
0 |
0.243 |
| Average: |
422.1 |
-4.2 |
0.723 |
3 |
1 |
0 |
0.243 |
| 5 |
17 |
|
B |
39 |
15 |
11139 |
◊ |
G |
-x,y-1/2,-z-1/2 |
3_544 |
47 |
13 |
11482 |
393.5 |
-0.9 |
0.845 |
5 |
3 |
0 |
0.028 |
18 |
|
J |
28 |
12 |
10703 |
◊ |
D |
-x-1,y-1/2,-z-1/2 |
3_444 |
25 |
12 |
11765 |
250.3 |
-3.5 |
0.642 |
0 |
0 |
0 |
0.028 |
| Average: |
321.9 |
-2.2 |
0.743 |
3 |
2 |
0 |
0.028 |
| 6 |
19 |
|
A |
36 |
11 |
12107 |
◊ |
U |
-x,y-1/2,-z-1/2 |
3_544 |
36 |
13 |
9841 |
350.9 |
-2.9 |
0.720 |
4 |
0 |
0 |
0.037 |
| 7 |
20 |
|
O |
39 |
13 |
10328 |
◊ |
F |
x,y,z |
1_555 |
38 |
12 |
11924 |
339.4 |
-3.3 |
0.711 |
3 |
0 |
0 |
0.087 |
21 |
|
X |
36 |
14 |
10376 |
◊ |
I |
x,-y,-z |
2_555 |
36 |
12 |
12607 |
326.1 |
-5.1 |
0.603 |
1 |
0 |
0 |
0.087 |
22 |
|
C |
33 |
13 |
12709 |
◊ |
R |
-x-1,-y+1/2,z-1/2 |
4_454 |
35 |
12 |
10141 |
312.6 |
-4.1 |
0.635 |
1 |
0 |
0 |
0.087 |
| Average: |
326.0 |
-4.1 |
0.649 |
2 |
0 |
0 |
0.087 |
| 8 |
23 |
|
O |
35 |
12 |
10328 |
◊ |
A |
x,y,z |
1_555 |
32 |
12 |
12107 |
326.2 |
-3.8 |
0.467 |
1 |
0 |
0 |
0.024 |
| 9 |
24 |
|
T |
38 |
17 |
11946 |
◊ |
Q |
x,y,z |
1_555 |
30 |
16 |
11986 |
288.2 |
-4.2 |
0.725 |
1 |
0 |
0 |
0.038 |
| 10 |
25 |
|
S |
35 |
15 |
12405 |
◊ |
M |
x,y,z |
1_555 |
31 |
13 |
12418 |
275.7 |
-3.8 |
0.706 |
2 |
0 |
0 |
0.076 |
26 |
|
V |
30 |
13 |
12251 |
◊ |
P |
x,y,z |
1_555 |
35 |
15 |
12379 |
269.1 |
-3.2 |
0.824 |
3 |
0 |
0 |
0.076 |
| Average: |
272.4 |
-3.5 |
0.765 |
3 |
0 |
0 |
0.076 |
| 11 |
27 |
|
[SIA]H:308 |
20 |
1 |
431 |
cf |
H |
x,y,z |
1_555 |
37 |
15 |
10145 |
250.1 |
-0.0 |
0.650 |
7 |
0 |
0 |
0.030 |
| 12 |
28 |
|
[SIA]H:301 |
19 |
1 |
429 |
◊ |
U |
x,y,z |
1_555 |
33 |
17 |
9841 |
248.8 |
-1.2 |
0.429 |
5 |
0 |
0 |
0.027 |
| 13 |
29 |
|
[SIA]L:301 |
18 |
1 |
436 |
cf |
O |
-x,y-1/2,-z-1/2 |
3_544 |
33 |
15 |
10328 |
242.9 |
-0.3 |
0.561 |
8 |
0 |
0 |
0.449 |
30 |
|
E |
32 |
13 |
10269 |
cf |
[SIA]X:302 |
-x-1,-y+1/2,z-1/2 |
4_454 |
17 |
1 |
424 |
228.6 |
-0.6 |
0.620 |
4 |
0 |
0 |
0.449 |
| Average: |
235.7 |
-0.5 |
0.590 |
6 |
0 |
0 |
0.449 |
| 14 |
31 |
|
L |
33 |
14 |
9844 |
cf |
[SIA]O:302 |
-x,y-1/2,-z-1/2 |
3_544 |
19 |
1 |
427 |
241.6 |
-1.4 |
0.589 |
5 |
0 |
0 |
0.153 |
| 15 |
32 |
|
[SIA]R:302 |
18 |
1 |
426 |
cf |
K |
x,-y,-z |
2_555 |
35 |
14 |
10268 |
234.8 |
-2.2 |
0.506 |
10 |
0 |
0 |
0.032 |
| 16 |
33 |
|
[SIA]K:301 |
17 |
1 |
434 |
cf |
R |
x,-y,-z |
2_555 |
28 |
15 |
10141 |
234.4 |
-1.2 |
0.493 |
6 |
0 |
0 |
1.000 |
| 17 |
34 |
|
[SIA]E:301 |
15 |
1 |
428 |
cf |
X |
-x-1,-y+1/2,z-1/2 |
4_454 |
28 |
13 |
10376 |
233.6 |
-1.5 |
0.533 |
7 |
0 |
0 |
0.038 |
| 18 |
35 |
|
F |
22 |
10 |
11924 |
◊ |
A |
x,y,z |
1_555 |
28 |
8 |
12107 |
229.6 |
-0.2 |
0.838 |
1 |
0 |
0 |
0.003 |
| 19 |
36 |
|
H |
23 |
7 |
10145 |
◊ |
G |
x,y,z |
1_555 |
22 |
9 |
11482 |
208.3 |
-3.6 |
0.349 |
0 |
0 |
0 |
0.065 |
37 |
|
L |
18 |
6 |
9844 |
◊ |
B |
x,y,z |
1_555 |
21 |
8 |
11139 |
195.7 |
-3.1 |
0.374 |
0 |
0 |
0 |
0.065 |
38 |
|
K |
18 |
6 |
10268 |
◊ |
J |
x,y,z |
1_555 |
22 |
7 |
10703 |
177.6 |
-3.8 |
0.402 |
0 |
0 |
0 |
0.065 |
39 |
|
E |
14 |
7 |
10269 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
11765 |
147.9 |
-3.2 |
0.384 |
0 |
0 |
0 |
0.065 |
| Average: |
182.4 |
-3.4 |
0.377 |
0 |
0 |
0 |
0.065 |
| 20 |
40 |
|
W |
21 |
9 |
11914 |
◊ |
N |
x-1,y,z |
1_455 |
27 |
14 |
11900 |
198.2 |
-2.3 |
0.779 |
0 |
0 |
0 |
0.000 |
| 21 |
41 |
|
N |
22 |
7 |
11900 |
◊ |
O |
x,y,z |
1_555 |
17 |
6 |
10328 |
177.3 |
-2.8 |
0.444 |
0 |
0 |
0 |
0.103 |
42 |
|
W |
20 |
9 |
11914 |
◊ |
X |
x,y,z |
1_555 |
17 |
6 |
10376 |
172.3 |
-2.9 |
0.583 |
0 |
0 |
0 |
0.103 |
43 |
|
T |
22 |
8 |
11946 |
◊ |
U |
x,y,z |
1_555 |
13 |
6 |
9841 |
168.1 |
-2.9 |
0.326 |
2 |
0 |
0 |
0.103 |
44 |
|
Q |
22 |
8 |
11986 |
◊ |
R |
x,y,z |
1_555 |
12 |
5 |
10141 |
144.8 |
-3.1 |
0.429 |
0 |
0 |
0 |
0.103 |
| Average: |
165.6 |
-2.9 |
0.445 |
1 |
0 |
0 |
0.103 |
| 22 |
45 |
|
O |
18 |
7 |
10328 |
◊ |
H |
x,y,z |
1_555 |
14 |
6 |
10145 |
157.9 |
-1.2 |
0.405 |
1 |
0 |
0 |
0.033 |
46 |
|
X |
16 |
6 |
10376 |
◊ |
K |
x,-y,-z |
2_555 |
8 |
4 |
10268 |
119.6 |
-1.2 |
0.364 |
1 |
0 |
0 |
0.033 |
47 |
|
E |
8 |
3 |
10269 |
◊ |
R |
-x-1,-y+1/2,z-1/2 |
4_454 |
14 |
5 |
10141 |
113.8 |
-1.8 |
0.257 |
0 |
0 |
0 |
0.033 |
48 |
|
L |
4 |
3 |
9844 |
◊ |
U |
-x,y-1/2,-z-1/2 |
3_544 |
10 |
3 |
9841 |
64.8 |
-0.7 |
0.304 |
0 |
0 |
0 |
0.033 |
| Average: |
114.0 |
-1.2 |
0.332 |
1 |
0 |
0 |
0.033 |
| 23 |
49 |
|
E |
13 |
5 |
10269 |
◊ |
G |
x,y,z |
1_555 |
19 |
9 |
11482 |
155.4 |
-2.7 |
0.308 |
0 |
0 |
0 |
0.048 |
50 |
|
H |
7 |
3 |
10145 |
◊ |
D |
x,y,z |
1_555 |
15 |
7 |
11765 |
117.5 |
-2.3 |
0.193 |
0 |
0 |
0 |
0.048 |
51 |
|
K |
15 |
7 |
10268 |
◊ |
B |
x,y,z |
1_555 |
17 |
9 |
11139 |
115.6 |
-2.2 |
0.394 |
0 |
0 |
0 |
0.048 |
52 |
|
L |
8 |
3 |
9844 |
◊ |
J |
x,y,z |
1_555 |
10 |
5 |
10703 |
70.5 |
-0.9 |
0.560 |
0 |
0 |
0 |
0.048 |
| Average: |
114.7 |
-2.0 |
0.364 |
0 |
0 |
0 |
0.048 |
| 24 |
53 |
|
G |
17 |
6 |
11482 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
11765 |
133.8 |
-2.4 |
0.510 |
0 |
0 |
0 |
0.023 |
54 |
|
J |
12 |
6 |
10703 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
11139 |
120.1 |
-1.6 |
0.553 |
1 |
0 |
0 |
0.023 |
| Average: |
127.0 |
-2.0 |
0.531 |
1 |
0 |
0 |
0.023 |
| 25 |
55 |
|
[NAG]R:301 |
9 |
1 |
353 |
cf |
R |
x,y,z |
1_555 |
14 |
5 |
10141 |
114.1 |
3.7 |
0.563 |
0 |
0 |
0 |
0.000 |
56 |
|
[NAG]O:301 |
10 |
1 |
362 |
cf |
O |
x,y,z |
1_555 |
13 |
5 |
10328 |
113.2 |
3.5 |
0.493 |
1 |
0 |
0 |
0.000 |
| Average: |
113.7 |
3.6 |
0.528 |
1 |
0 |
0 |
0.000 |
| 26 |
57 |
|
O |
12 |
7 |
10328 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
11139 |
103.3 |
-1.6 |
0.441 |
0 |
0 |
0 |
0.009 |
| 27 |
58 |
|
[NAG]U:301 |
10 |
1 |
350 |
cf |
U |
x,y,z |
1_555 |
12 |
5 |
9841 |
102.8 |
3.3 |
0.434 |
0 |
0 |
0 |
0.000 |
| 28 |
59 |
|
[NAG]X:301 |
10 |
1 |
360 |
cf |
X |
x,y,z |
1_555 |
12 |
6 |
10376 |
95.8 |
2.6 |
0.380 |
0 |
0 |
0 |
0.000 |
| 29 |
60 |
|
[NAG]K:307 |
9 |
1 |
359 |
cf |
K |
x,y,z |
1_555 |
9 |
3 |
10268 |
94.9 |
2.1 |
0.413 |
0 |
0 |
0 |
0.000 |
| 30 |
61 |
|
[NAG]H:307 |
9 |
1 |
358 |
cf |
H |
x,y,z |
1_555 |
13 |
5 |
10145 |
91.1 |
1.7 |
0.285 |
1 |
0 |
0 |
0.000 |
| 31 |
62 |
|
[GLA]K:302 |
9 |
1 |
281 |
◊ |
R |
x,-y,-z |
2_555 |
17 |
8 |
10141 |
87.7 |
0.9 |
0.237 |
0 |
0 |
0 |
0.000 |
| 32 |
63 |
|
[GAL]L:302 |
7 |
1 |
290 |
◊ |
O |
-x,y-1/2,-z-1/2 |
3_544 |
12 |
6 |
10328 |
83.9 |
2.0 |
0.399 |
0 |
0 |
0 |
0.000 |
| 33 |
64 |
|
[GLA]K:302 |
6 |
1 |
281 |
c |
[SIA]K:301 |
x,y,z |
1_555 |
10 |
1 |
434 |
82.3 |
2.2 |
0.301 |
2 |
0 |
0 |
0.000 |
| 34 |
65 |
|
[NAG]E:307 |
9 |
1 |
354 |
cf |
[NAG]E:306 |
x,y,z |
1_555 |
9 |
1 |
354 |
80.5 |
2.0 |
0.087 |
0 |
0 |
0 |
0.000 |
| 35 |
66 |
|
[NAG]H:307 |
5 |
1 |
358 |
cf |
[NAG]H:306 |
x,y,z |
1_555 |
7 |
1 |
356 |
79.8 |
2.5 |
0.236 |
1 |
0 |
0 |
0.000 |
| 36 |
67 |
|
[GLA]H:309 |
5 |
1 |
289 |
cf |
[SIA]H:308 |
x,y,z |
1_555 |
9 |
1 |
431 |
79.0 |
0.5 |
0.300 |
1 |
0 |
0 |
0.000 |
| 37 |
68 |
|
[NAG]X:308 |
8 |
1 |
360 |
cf |
[NAG]X:307 |
x,y,z |
1_555 |
8 |
1 |
346 |
78.7 |
2.5 |
0.131 |
0 |
0 |
0 |
0.000 |
| 38 |
69 |
|
[NAG]O:308 |
8 |
1 |
354 |
cf |
[NAG]O:307 |
x,y,z |
1_555 |
9 |
1 |
355 |
77.6 |
2.8 |
0.130 |
0 |
0 |
0 |
0.000 |
| 39 |
70 |
|
[NAG]K:307 |
7 |
1 |
359 |
cf |
[NAG]K:306 |
x,y,z |
1_555 |
8 |
1 |
352 |
77.1 |
2.2 |
0.146 |
1 |
0 |
0 |
0.000 |
| 40 |
71 |
|
[NDG]E:303 |
7 |
1 |
348 |
cf |
[GAL]E:302 |
x,y,z |
1_555 |
6 |
1 |
282 |
75.1 |
2.6 |
0.148 |
1 |
0 |
0 |
0.000 |
| 41 |
72 |
|
[GAL]L:302 |
7 |
1 |
290 |
c |
[SIA]L:301 |
x,y,z |
1_555 |
10 |
1 |
436 |
74.6 |
2.4 |
0.348 |
0 |
0 |
0 |
0.000 |
| 42 |
73 |
|
[GAL]H:302 |
7 |
1 |
285 |
cf |
[SIA]H:301 |
x,y,z |
1_555 |
10 |
1 |
429 |
73.8 |
2.7 |
0.299 |
0 |
0 |
0 |
0.000 |
| 43 |
74 |
|
[GAL]O:303 |
6 |
1 |
283 |
c |
[SIA]O:302 |
x,y,z |
1_555 |
10 |
1 |
427 |
73.5 |
2.3 |
0.421 |
0 |
0 |
0 |
0.000 |
| 44 |
75 |
|
[NAG]H:303 |
6 |
1 |
355 |
cf |
[GAL]H:302 |
x,y,z |
1_555 |
7 |
1 |
285 |
73.2 |
1.5 |
0.106 |
1 |
0 |
0 |
0.000 |
| 45 |
76 |
|
[GAL]H:302 |
8 |
1 |
285 |
◊ |
U |
x,y,z |
1_555 |
9 |
6 |
9841 |
73.0 |
1.4 |
0.308 |
0 |
0 |
0 |
0.000 |
| 46 |
77 |
|
E |
11 |
5 |
10269 |
◊ |
[GAL]X:303 |
-x-1,-y+1/2,z-1/2 |
4_454 |
6 |
1 |
289 |
72.6 |
1.0 |
0.334 |
1 |
0 |
0 |
0.000 |
| 47 |
78 |
|
[MAN]K:305 |
6 |
1 |
288 |
cf |
[MAN]K:304 |
x,y,z |
1_555 |
7 |
1 |
287 |
71.8 |
2.6 |
0.170 |
0 |
0 |
0 |
0.000 |
| 48 |
79 |
|
[NAG]L:306 |
5 |
1 |
358 |
f |
L |
x,y,z |
1_555 |
8 |
4 |
9844 |
71.6 |
1.3 |
0.378 |
0 |
0 |
0 |
0.000 |
| 49 |
80 |
|
[BMA]R:305 |
7 |
1 |
289 |
cf |
[MAN]R:306 |
x,y,z |
1_555 |
7 |
1 |
290 |
71.5 |
2.5 |
0.151 |
1 |
0 |
0 |
0.000 |
| 50 |
81 |
|
[NAG]E:307 |
8 |
1 |
354 |
cf |
E |
x,y,z |
1_555 |
7 |
3 |
10269 |
70.8 |
1.3 |
0.283 |
0 |
0 |
0 |
0.000 |
| 51 |
82 |
|
[GAL]E:302 |
5 |
1 |
282 |
c |
X |
-x-1,-y+1/2,z-1/2 |
4_454 |
12 |
5 |
10376 |
70.8 |
0.7 |
0.365 |
1 |
0 |
0 |
0.000 |
| 52 |
83 |
|
[MAN]H:311 |
8 |
1 |
281 |
cf |
[NDG]H:310 |
x,y,z |
1_555 |
7 |
1 |
350 |
70.2 |
2.8 |
0.146 |
1 |
0 |
0 |
0.000 |
| 53 |
84 |
|
[BMA]O:305 |
5 |
1 |
290 |
cf |
[MAN]O:306 |
x,y,z |
1_555 |
5 |
1 |
279 |
69.6 |
2.2 |
0.281 |
0 |
0 |
0 |
0.000 |
| 54 |
85 |
|
[GLA]H:309 |
7 |
1 |
289 |
cf |
[NDG]H:310 |
x,y,z |
1_555 |
6 |
1 |
350 |
69.5 |
1.5 |
0.080 |
1 |
0 |
0 |
0.000 |
| 55 |
86 |
|
[GAL]X:303 |
6 |
1 |
289 |
c |
[SIA]X:302 |
x,y,z |
1_555 |
9 |
1 |
424 |
69.4 |
1.1 |
0.206 |
1 |
0 |
0 |
0.000 |
| 56 |
87 |
|
[BMA]H:305 |
6 |
1 |
289 |
cf |
[NAG]H:306 |
x,y,z |
1_555 |
7 |
1 |
356 |
68.5 |
1.9 |
0.147 |
0 |
0 |
0 |
0.000 |
| 57 |
88 |
|
L |
19 |
8 |
9844 |
◊ |
[GAL]O:303 |
-x,y-1/2,-z-1/2 |
3_544 |
9 |
1 |
283 |
68.5 |
1.6 |
0.309 |
1 |
0 |
0 |
0.000 |
| 58 |
89 |
|
[GLA]K:302 |
6 |
1 |
281 |
cf |
[NAG]K:303 |
x,y,z |
1_555 |
6 |
1 |
354 |
67.8 |
1.8 |
0.155 |
0 |
0 |
0 |
0.000 |
| 59 |
90 |
|
[MAN]E:304 |
7 |
1 |
292 |
cf |
[NDG]E:303 |
x,y,z |
1_555 |
8 |
1 |
348 |
67.5 |
2.7 |
0.157 |
0 |
0 |
0 |
0.000 |
| 60 |
91 |
|
[NAG]X:301 |
8 |
1 |
360 |
◊ |
I |
x,-y,-z |
2_555 |
11 |
5 |
12607 |
67.3 |
1.1 |
0.306 |
0 |
0 |
0 |
0.000 |
| 61 |
92 |
|
[BMA]L:304 |
6 |
1 |
288 |
cf |
[NDG]L:303 |
x,y,z |
1_555 |
8 |
1 |
356 |
67.2 |
3.1 |
0.190 |
1 |
0 |
0 |
0.000 |
| 62 |
93 |
|
[BMA]H:305 |
6 |
1 |
289 |
cf |
[BMA]H:304 |
x,y,z |
1_555 |
6 |
1 |
280 |
66.8 |
2.5 |
0.302 |
1 |
0 |
0 |
0.000 |
| 63 |
94 |
|
[NAG]K:303 |
9 |
1 |
354 |
cf |
[MAN]K:304 |
x,y,z |
1_555 |
6 |
1 |
287 |
66.1 |
2.5 |
0.136 |
0 |
0 |
0 |
0.000 |
| 64 |
95 |
|
[NAG]H:313 |
8 |
1 |
360 |
cf |
[MAN]H:312 |
x,y,z |
1_555 |
6 |
1 |
292 |
66.0 |
1.2 |
0.086 |
0 |
0 |
0 |
0.000 |
| 65 |
96 |
|
[NAG]K:306 |
9 |
1 |
352 |
cf |
[MAN]K:305 |
x,y,z |
1_555 |
6 |
1 |
288 |
64.3 |
1.6 |
0.103 |
0 |
0 |
0 |
0.000 |
| 66 |
97 |
|
[BMA]X:306 |
5 |
1 |
293 |
cf |
[NAG]X:307 |
x,y,z |
1_555 |
9 |
1 |
346 |
64.1 |
1.9 |
0.094 |
1 |
0 |
0 |
0.000 |
| 67 |
98 |
|
[NDG]L:303 |
9 |
1 |
356 |
cf |
[GAL]L:302 |
x,y,z |
1_555 |
7 |
1 |
290 |
64.0 |
1.2 |
0.044 |
0 |
0 |
0 |
0.000 |
| 68 |
99 |
|
[NDG]R:304 |
6 |
1 |
356 |
cf |
[GAL]R:303 |
x,y,z |
1_555 |
6 |
1 |
285 |
63.9 |
1.7 |
0.074 |
0 |
0 |
0 |
0.000 |
| 69 |
100 |
|
[GAL]E:302 |
5 |
1 |
282 |
c |
[SIA]E:301 |
x,y,z |
1_555 |
7 |
1 |
428 |
63.6 |
1.9 |
0.366 |
0 |
0 |
0 |
0.000 |
| 70 |
101 |
|
[GAL]R:303 |
4 |
1 |
285 |
c |
[SIA]R:302 |
x,y,z |
1_555 |
9 |
1 |
426 |
63.5 |
2.3 |
0.456 |
0 |
0 |
0 |
0.000 |
| 71 |
102 |
|
[MAN]X:305 |
5 |
1 |
287 |
cf |
[NDG]X:304 |
x,y,z |
1_555 |
8 |
1 |
352 |
63.3 |
2.7 |
0.150 |
0 |
0 |
0 |
0.000 |
| 72 |
103 |
|
[BMA]H:304 |
6 |
1 |
280 |
cf |
[NAG]H:303 |
x,y,z |
1_555 |
6 |
1 |
355 |
63.1 |
2.3 |
0.269 |
0 |
0 |
0 |
0.000 |
| 73 |
104 |
|
T |
7 |
4 |
11946 |
◊ |
K |
x,-y,-z |
2_555 |
9 |
4 |
10268 |
62.6 |
-0.9 |
0.524 |
0 |
0 |
0 |
0.000 |
| 74 |
105 |
|
[NDG]X:304 |
6 |
1 |
352 |
cf |
[GAL]X:303 |
x,y,z |
1_555 |
6 |
1 |
289 |
62.1 |
1.4 |
0.062 |
0 |
0 |
0 |
0.000 |
| 75 |
106 |
|
[BMA]L:305 |
6 |
1 |
294 |
cf |
[BMA]L:304 |
x,y,z |
1_555 |
5 |
1 |
288 |
61.7 |
2.4 |
0.294 |
1 |
0 |
0 |
0.000 |
| 76 |
107 |
|
[GLA]H:309 |
7 |
1 |
289 |
cf |
H |
x,y,z |
1_555 |
8 |
3 |
10145 |
60.7 |
1.7 |
0.455 |
0 |
0 |
0 |
0.000 |
| 77 |
108 |
|
[NAG]O:307 |
7 |
1 |
355 |
cf |
[MAN]O:306 |
x,y,z |
1_555 |
5 |
1 |
279 |
59.7 |
1.7 |
0.140 |
0 |
0 |
0 |
0.000 |
| 78 |
109 |
|
[NAG]E:306 |
6 |
1 |
354 |
cf |
[MAN]E:305 |
x,y,z |
1_555 |
6 |
1 |
293 |
59.1 |
1.3 |
0.153 |
0 |
0 |
0 |
0.000 |
| 79 |
110 |
|
[BMA]R:305 |
5 |
1 |
289 |
cf |
[NDG]R:304 |
x,y,z |
1_555 |
9 |
1 |
356 |
58.1 |
2.7 |
0.125 |
0 |
0 |
0 |
0.000 |
| 80 |
111 |
|
[BMA]X:306 |
4 |
1 |
293 |
cf |
[MAN]X:305 |
x,y,z |
1_555 |
6 |
1 |
287 |
58.1 |
1.9 |
0.216 |
0 |
0 |
0 |
0.000 |
| 81 |
112 |
|
[BMA]O:305 |
5 |
1 |
290 |
cf |
[NDG]O:304 |
x,y,z |
1_555 |
8 |
1 |
351 |
57.9 |
2.6 |
0.164 |
0 |
0 |
0 |
0.000 |
| 82 |
113 |
|
[MAN]H:312 |
3 |
1 |
292 |
cf |
[MAN]H:311 |
x,y,z |
1_555 |
6 |
1 |
281 |
57.5 |
1.4 |
0.213 |
0 |
0 |
0 |
0.000 |
| 83 |
114 |
|
[NDG]O:304 |
6 |
1 |
351 |
cf |
[GAL]O:303 |
x,y,z |
1_555 |
5 |
1 |
283 |
56.4 |
0.6 |
0.058 |
0 |
0 |
0 |
0.000 |
| 84 |
115 |
|
B |
6 |
4 |
11139 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
2 |
10269 |
56.0 |
-1.5 |
0.237 |
0 |
0 |
0 |
0.000 |
116 |
|
K |
3 |
1 |
10268 |
◊ |
G |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
4 |
11482 |
28.5 |
-0.6 |
0.413 |
0 |
0 |
0 |
0.000 |
117 |
|
J |
1 |
1 |
10703 |
◊ |
H |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
10145 |
13.2 |
-0.4 |
0.174 |
0 |
0 |
0 |
0.000 |
118 |
|
L |
2 |
1 |
9844 |
◊ |
D |
-x-1,y-1/2,-z-1/2 |
3_444 |
4 |
3 |
11765 |
12.0 |
-0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
| Average: |
27.4 |
-0.7 |
0.369 |
0 |
0 |
0 |
0.000 |
| 85 |
119 |
|
[NAG]X:308 |
5 |
1 |
360 |
f |
X |
x,y,z |
1_555 |
4 |
1 |
10376 |
53.0 |
1.1 |
0.439 |
0 |
0 |
0 |
0.000 |
| 86 |
120 |
|
[MAN]O:306 |
5 |
1 |
279 |
f |
[NDG]O:304 |
x,y,z |
1_555 |
5 |
1 |
351 |
52.3 |
2.2 |
0.236 |
0 |
0 |
0 |
0.000 |
| 87 |
121 |
|
[MAN]E:305 |
4 |
1 |
293 |
cf |
[MAN]E:304 |
x,y,z |
1_555 |
6 |
1 |
292 |
51.1 |
2.3 |
0.254 |
0 |
0 |
0 |
0.000 |
| 88 |
122 |
|
[BMA]H:304 |
5 |
1 |
280 |
f |
[NAG]H:306 |
x,y,z |
1_555 |
8 |
1 |
356 |
49.9 |
1.3 |
0.128 |
0 |
0 |
0 |
0.000 |
| 89 |
123 |
|
[BMA]O:305 |
6 |
1 |
290 |
f |
[NAG]O:307 |
x,y,z |
1_555 |
4 |
1 |
355 |
49.1 |
1.9 |
0.220 |
0 |
0 |
0 |
0.000 |
| 90 |
124 |
|
[NAG]O:308 |
5 |
1 |
354 |
◊ |
O |
x,y,z |
1_555 |
3 |
2 |
10328 |
48.5 |
0.4 |
0.206 |
0 |
0 |
0 |
0.000 |
| 91 |
125 |
|
C |
4 |
2 |
12709 |
◊ |
F |
x-1,y,z |
1_455 |
5 |
2 |
11924 |
48.0 |
-0.5 |
0.523 |
0 |
0 |
0 |
0.000 |
126 |
|
I |
5 |
2 |
12607 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
2 |
12107 |
39.6 |
-0.3 |
0.645 |
0 |
0 |
0 |
0.000 |
| Average: |
43.8 |
-0.4 |
0.584 |
0 |
0 |
0 |
0.000 |
| 92 |
127 |
|
[GAL]R:303 |
5 |
1 |
285 |
◊ |
K |
x,-y,-z |
2_555 |
8 |
5 |
10268 |
42.9 |
2.0 |
0.546 |
0 |
0 |
0 |
0.000 |
| 93 |
128 |
|
[NAG]X:307 |
5 |
1 |
346 |
f |
[MAN]X:305 |
x,y,z |
1_555 |
4 |
1 |
287 |
39.0 |
0.6 |
0.123 |
0 |
0 |
0 |
0.000 |
| 94 |
129 |
|
[NAG]K:306 |
4 |
1 |
352 |
f |
[MAN]K:304 |
x,y,z |
1_555 |
4 |
1 |
287 |
36.1 |
1.2 |
0.201 |
0 |
0 |
0 |
0.000 |
| 95 |
130 |
|
[BMA]L:305 |
4 |
1 |
294 |
f |
[NDG]L:303 |
x,y,z |
1_555 |
4 |
1 |
356 |
33.2 |
1.3 |
0.198 |
0 |
0 |
0 |
0.000 |
| 96 |
131 |
|
Q |
2 |
2 |
11986 |
◊ |
R |
x,-y+1,-z |
2_565 |
4 |
3 |
10141 |
31.7 |
-1.0 |
0.254 |
0 |
0 |
0 |
0.000 |
| 97 |
132 |
|
A |
4 |
2 |
12107 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
10269 |
29.4 |
-0.8 |
0.204 |
0 |
0 |
0 |
0.000 |
133 |
|
K |
1 |
1 |
10268 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
2 |
11924 |
12.4 |
-0.3 |
0.299 |
0 |
0 |
0 |
0.000 |
| Average: |
20.9 |
-0.6 |
0.251 |
0 |
0 |
0 |
0.000 |
| 98 |
134 |
|
C |
4 |
2 |
12709 |
◊ |
[NAG]R:301 |
-x-1,-y+1/2,z-1/2 |
4_454 |
6 |
1 |
353 |
28.6 |
0.8 |
0.283 |
0 |
0 |
0 |
0.000 |
| 99 |
135 |
|
N |
5 |
5 |
11900 |
◊ |
N |
x,-y,-z |
2_555 |
5 |
5 |
11900 |
27.7 |
-0.3 |
0.659 |
0 |
0 |
0 |
0.000 |
| 100 |
136 |
|
[NAG]H:303 |
3 |
1 |
355 |
◊ |
T |
x,y,z |
1_555 |
5 |
2 |
11946 |
26.5 |
0.6 |
0.509 |
0 |
0 |
0 |
0.000 |
| 101 |
137 |
|
[MAN]R:306 |
2 |
1 |
290 |
f |
[NDG]R:304 |
x,y,z |
1_555 |
6 |
1 |
356 |
24.4 |
1.0 |
0.122 |
0 |
0 |
0 |
0.000 |
| 102 |
138 |
|
[NAG]H:313 |
3 |
1 |
360 |
f |
[MAN]H:311 |
x,y,z |
1_555 |
3 |
1 |
281 |
22.8 |
0.2 |
0.146 |
0 |
0 |
0 |
0.000 |
| 103 |
139 |
|
[NAG]O:301 |
6 |
1 |
362 |
◊ |
F |
x,y,z |
1_555 |
4 |
3 |
11924 |
22.8 |
0.4 |
0.250 |
0 |
0 |
0 |
0.000 |
| 104 |
140 |
|
A |
4 |
3 |
12107 |
◊ |
[NAG]U:301 |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
1 |
350 |
22.5 |
0.2 |
0.214 |
0 |
0 |
0 |
0.000 |
| 105 |
141 |
|
[BMA]R:305 |
4 |
1 |
289 |
f |
[MAN]X:305 |
x,y,z |
1_555 |
2 |
1 |
287 |
20.8 |
0.4 |
0.179 |
0 |
0 |
0 |
0.000 |
| 106 |
142 |
|
[NAG]K:303 |
4 |
1 |
354 |
f |
[MAN]K:305 |
x,y,z |
1_555 |
2 |
1 |
288 |
19.5 |
0.7 |
0.249 |
0 |
0 |
0 |
0.000 |
| 107 |
143 |
|
[BMA]H:305 |
2 |
1 |
289 |
f |
[NAG]H:303 |
x,y,z |
1_555 |
2 |
1 |
355 |
17.8 |
0.7 |
0.347 |
0 |
0 |
0 |
0.000 |
| 108 |
144 |
|
[NAG]K:306 |
4 |
1 |
352 |
f |
K |
x,y,z |
1_555 |
3 |
1 |
10268 |
15.1 |
0.6 |
0.435 |
0 |
0 |
0 |
0.000 |
| 109 |
145 |
|
[BMA]X:306 |
1 |
1 |
293 |
f |
[NDG]X:304 |
x,y,z |
1_555 |
2 |
1 |
352 |
13.2 |
0.6 |
0.202 |
0 |
0 |
0 |
0.000 |
| 110 |
146 |
|
[NAG]E:306 |
3 |
1 |
354 |
f |
E |
x,y,z |
1_555 |
3 |
2 |
10269 |
12.8 |
0.4 |
0.445 |
0 |
0 |
0 |
0.000 |
| 111 |
147 |
|
[MAN]H:312 |
1 |
1 |
292 |
f |
[NDG]H:310 |
x,y,z |
1_555 |
1 |
1 |
350 |
11.4 |
0.5 |
0.322 |
0 |
0 |
0 |
0.000 |
| 112 |
148 |
|
[MAN]E:305 |
1 |
1 |
293 |
f |
[NDG]E:303 |
x,y,z |
1_555 |
1 |
1 |
348 |
11.1 |
0.5 |
0.279 |
0 |
0 |
0 |
0.000 |
| 113 |
149 |
|
[NDG]H:310 |
3 |
1 |
350 |
f |
H |
x,y,z |
1_555 |
2 |
2 |
10145 |
8.9 |
0.0 |
0.266 |
0 |
0 |
0 |
0.000 |
| 114 |
150 |
|
W |
2 |
2 |
11914 |
◊ |
W |
x,-y,-z |
2_555 |
2 |
2 |
11914 |
8.6 |
0.1 |
0.770 |
0 |
0 |
0 |
0.000 |
| 115 |
151 |
|
[NAG]K:303 |
3 |
1 |
354 |
◊ |
[SIA]K:301 |
x,y,z |
1_555 |
3 |
1 |
434 |
7.4 |
0.3 |
0.329 |
0 |
0 |
0 |
0.000 |
| 116 |
152 |
|
[NAG]K:307 |
2 |
1 |
359 |
f |
[MAN]K:305 |
x,y,z |
1_555 |
2 |
1 |
288 |
6.9 |
0.2 |
0.232 |
0 |
0 |
0 |
0.000 |
| 117 |
153 |
|
[NDG]R:304 |
2 |
1 |
356 |
◊ |
K |
x,-y,-z |
2_555 |
1 |
1 |
10268 |
6.8 |
0.5 |
0.315 |
0 |
0 |
0 |
0.000 |
| 118 |
154 |
|
[NAG]H:306 |
2 |
1 |
356 |
f |
H |
x,y,z |
1_555 |
2 |
1 |
10145 |
6.2 |
0.3 |
0.410 |
0 |
0 |
0 |
0.000 |
| 119 |
155 |
|
[NDG]L:303 |
2 |
1 |
356 |
f |
N |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
11900 |
3.6 |
0.0 |
0.202 |
0 |
0 |
0 |
0.000 |
| 120 |
156 |
|
[NAG]O:308 |
2 |
1 |
354 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
11924 |
3.0 |
0.0 |
0.357 |
0 |
0 |
0 |
0.000 |
| 121 |
157 |
|
[NAG]O:307 |
1 |
1 |
355 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
10328 |
2.7 |
0.0 |
0.371 |
0 |
0 |
0 |
0.000 |
| 122 |
158 |
|
[NAG]E:306 |
1 |
1 |
354 |
f |
[MAN]E:304 |
x,y,z |
1_555 |
1 |
1 |
292 |
2.4 |
0.0 |
0.197 |
0 |
0 |
0 |
0.000 |
| 123 |
159 |
|
[NAG]H:303 |
1 |
1 |
355 |
f |
[SIA]H:301 |
x,y,z |
1_555 |
2 |
1 |
429 |
2.2 |
0.1 |
0.231 |
0 |
0 |
0 |
0.000 |
| 124 |
160 |
|
[NAG]X:307 |
1 |
1 |
346 |
f |
[NDG]X:304 |
x,y,z |
1_555 |
1 |
1 |
352 |
2.0 |
0.1 |
0.101 |
0 |
0 |
0 |
0.000 |
| 125 |
161 |
|
[BMA]H:305 |
1 |
1 |
289 |
f |
[NAG]H:307 |
x,y,z |
1_555 |
1 |
1 |
358 |
1.9 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| 126 |
162 |
|
[NAG]H:313 |
1 |
1 |
360 |
◊ |
U |
x,y,z |
1_555 |
1 |
1 |
9841 |
1.8 |
0.1 |
0.401 |
0 |
0 |
0 |
0.000 |
| 127 |
163 |
|
T |
1 |
1 |
11946 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
12379 |
1.3 |
-0.0 |
0.496 |
0 |
0 |
0 |
0.000 |
| 128 |
164 |
|
[NDG]X:304 |
1 |
1 |
352 |
◊ |
[SIA]X:302 |
x,y,z |
1_555 |
1 |
1 |
424 |
0.6 |
0.0 |
0.158 |
0 |
0 |
0 |
0.000 |
| 129 |
165 |
|
[BMA]X:306 |
1 |
1 |
293 |
f |
[BMA]R:305 |
x,y,z |
1_555 |
1 |
1 |
289 |
0.5 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
|