| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
0 |
830 |
144 |
366470 |
◊ |
B |
x,y,z |
1_555 |
752 |
166 |
18397 |
7150.7 |
-135.7 |
0.619 |
163 |
0 |
0 |
0.117 |
2 |
|
0 |
758 |
139 |
366470 |
◊ |
M |
x,y,z |
1_555 |
618 |
136 |
12392 |
6302.3 |
-117.8 |
0.638 |
139 |
0 |
0 |
0.191 |
3 |
|
0 |
731 |
115 |
366470 |
◊ |
A |
x,y,z |
1_555 |
612 |
131 |
14333 |
6182.9 |
-115.9 |
0.599 |
135 |
0 |
0 |
0.215 |
4 |
|
0 |
648 |
109 |
366470 |
◊ |
C |
x,y,z |
1_555 |
522 |
129 |
14460 |
5412.3 |
-89.6 |
0.653 |
103 |
0 |
0 |
0.099 |
5 |
|
0 |
488 |
96 |
366470 |
◊ |
P |
x,y,z |
1_555 |
385 |
91 |
10716 |
4205.5 |
-79.5 |
0.663 |
109 |
0 |
0 |
0.104 |
6 |
|
0 |
497 |
98 |
366470 |
◊ |
Y |
x,y,z |
1_555 |
383 |
88 |
10460 |
4043.6 |
-72.5 |
0.744 |
92 |
0 |
0 |
0.095 |
7 |
|
0 |
505 |
108 |
366470 |
◊ |
L |
x,y,z |
1_555 |
367 |
79 |
11384 |
4015.1 |
-67.7 |
0.579 |
98 |
0 |
0 |
0.099 |
8 |
|
0 |
381 |
70 |
366470 |
◊ |
R |
x,y,z |
1_555 |
324 |
81 |
8449 |
3085.5 |
-52.8 |
0.544 |
67 |
0 |
0 |
0.085 |
9 |
|
0 |
367 |
59 |
366470 |
◊ |
3 |
x,y,z |
1_555 |
314 |
68 |
7803 |
3055.0 |
-61.0 |
0.298 |
57 |
0 |
0 |
0.082 |
10 |
|
0 |
374 |
75 |
366470 |
◊ |
1 |
x,y,z |
1_555 |
265 |
54 |
4880 |
2840.6 |
-54.4 |
0.651 |
54 |
0 |
0 |
0.084 |
11 |
|
0 |
343 |
59 |
366470 |
◊ |
T |
x,y,z |
1_555 |
271 |
68 |
8112 |
2786.8 |
-39.5 |
0.858 |
57 |
0 |
0 |
0.075 |
12 |
|
0 |
312 |
57 |
366470 |
◊ |
H |
x,y,z |
1_555 |
273 |
62 |
9317 |
2635.0 |
-48.2 |
0.507 |
46 |
0 |
0 |
0.077 |
13 |
|
0 |
288 |
59 |
366470 |
◊ |
Q |
x,y,z |
1_555 |
241 |
57 |
6605 |
2458.6 |
-53.9 |
0.501 |
68 |
0 |
0 |
0.084 |
14 |
|
0 |
274 |
48 |
366470 |
◊ |
J |
x,y,z |
1_555 |
254 |
68 |
8479 |
2438.9 |
-35.8 |
0.694 |
49 |
0 |
0 |
0.067 |
15 |
|
0 |
322 |
53 |
366470 |
◊ |
2 |
x,y,z |
1_555 |
234 |
44 |
5082 |
2369.6 |
-31.4 |
0.640 |
31 |
0 |
0 |
0.062 |
16 |
|
9 |
272 |
42 |
19937 |
◊ |
N |
x,y,z |
1_555 |
238 |
64 |
10855 |
2250.9 |
-35.1 |
0.903 |
60 |
0 |
0 |
0.870 |
17 |
|
0 |
240 |
40 |
366470 |
◊ |
W |
x,y,z |
1_555 |
204 |
53 |
8132 |
2029.7 |
-38.5 |
0.384 |
39 |
0 |
0 |
0.068 |
18 |
|
0 |
230 |
45 |
366470 |
◊ |
K |
x,y,z |
1_555 |
199 |
49 |
7263 |
1921.8 |
-33.1 |
0.636 |
43 |
0 |
0 |
0.067 |
19 |
|
0 |
209 |
31 |
366470 |
◊ |
O |
x,y,z |
1_555 |
186 |
49 |
6504 |
1815.6 |
-26.6 |
0.704 |
41 |
0 |
0 |
0.061 |
20 |
|
0 |
204 |
39 |
366470 |
◊ |
X |
x,y,z |
1_555 |
163 |
38 |
5126 |
1694.1 |
-26.9 |
0.667 |
27 |
0 |
0 |
0.053 |
21 |
|
0 |
202 |
36 |
366470 |
◊ |
E |
x,y,z |
1_555 |
158 |
42 |
10212 |
1646.1 |
-22.2 |
0.482 |
25 |
0 |
0 |
0.045 |
22 |
|
9 |
136 |
20 |
19937 |
◊ |
D |
x,y,z |
1_555 |
126 |
35 |
9695 |
1245.3 |
-20.2 |
0.651 |
15 |
0 |
0 |
1.000 |
23 |
|
0 |
170 |
32 |
366470 |
◊ |
Z |
x,y,z |
1_555 |
116 |
32 |
5667 |
1237.7 |
-13.6 |
0.696 |
22 |
0 |
0 |
0.032 |
24 |
|
0 |
128 |
19 |
366470 |
◊ |
N |
x,y,z |
1_555 |
118 |
31 |
10855 |
1108.2 |
-8.9 |
0.398 |
13 |
0 |
0 |
0.017 |
25 |
|
0 |
115 |
18 |
366470 |
◊ |
D |
x,y,z |
1_555 |
118 |
40 |
9695 |
1108.0 |
-11.0 |
0.895 |
22 |
0 |
0 |
0.028 |
26 |
|
9 |
119 |
21 |
19937 |
◊ |
0 |
x,y,z |
1_555 |
139 |
33 |
366470 |
1049.6 |
-24.9 |
0.954 |
10 |
0 |
0 |
0.040 |
27 |
|
Z |
105 |
30 |
5667 |
◊ |
A |
x,y,z |
1_555 |
111 |
35 |
14333 |
1029.0 |
-14.8 |
0.014 |
17 |
2 |
0 |
0.028 |
28 |
|
0 |
128 |
28 |
366470 |
◊ |
S |
x,y,z |
1_555 |
100 |
34 |
5214 |
994.7 |
-18.1 |
0.732 |
22 |
0 |
0 |
0.038 |
29 |
|
0 |
114 |
21 |
366470 |
◊ |
V |
x,y,z |
1_555 |
107 |
28 |
4546 |
980.3 |
-13.8 |
0.768 |
18 |
0 |
0 |
0.027 |
30 |
|
0 |
108 |
17 |
366470 |
◊ |
I |
x,y,z |
1_555 |
104 |
29 |
4411 |
943.7 |
-19.5 |
0.595 |
10 |
0 |
0 |
0.033 |
31 |
|
M |
76 |
21 |
12392 |
◊ |
F |
x,y,z |
1_555 |
72 |
19 |
6205 |
707.6 |
-7.7 |
0.060 |
9 |
4 |
0 |
0.013 |
32 |
|
0 |
87 |
17 |
366470 |
◊ |
U |
x,y,z |
1_555 |
68 |
19 |
3978 |
690.4 |
-9.5 |
0.793 |
9 |
0 |
0 |
0.016 |
33 |
|
4 |
63 |
5 |
1360 |
◊ |
0 |
x,y,z |
1_555 |
91 |
22 |
366470 |
688.9 |
-7.9 |
0.622 |
12 |
0 |
0 |
0.018 |
34 |
|
0 |
70 |
10 |
366470 |
◊ |
F |
x,y,z |
1_555 |
56 |
20 |
6205 |
616.3 |
-12.9 |
0.487 |
17 |
0 |
0 |
0.025 |
35 |
|
9 |
70 |
11 |
19937 |
◊ |
W |
x,y,z |
1_555 |
51 |
18 |
8132 |
537.1 |
-7.4 |
0.727 |
9 |
0 |
0 |
0.014 |
36 |
|
U |
51 |
14 |
3978 |
◊ |
K |
x,y,z |
1_555 |
51 |
16 |
7263 |
514.4 |
-7.3 |
0.074 |
6 |
1 |
0 |
0.000 |
37 |
|
Q |
48 |
12 |
6605 |
◊ |
N |
x,y,z |
1_555 |
60 |
18 |
10855 |
501.8 |
-8.4 |
0.046 |
2 |
0 |
0 |
0.000 |
38 |
|
0 |
54 |
10 |
366470 |
◊ |
G |
x,y,z |
1_555 |
48 |
13 |
2771 |
484.1 |
-6.3 |
0.769 |
8 |
0 |
0 |
0.000 |
39 |
|
V |
37 |
10 |
4546 |
◊ |
S |
x,y,z |
1_555 |
38 |
10 |
5214 |
337.1 |
-5.4 |
0.115 |
0 |
0 |
0 |
0.007 |
40 |
|
[1MA]0:628 |
23 |
1 |
501 |
cf |
0 |
x,y,z |
1_555 |
48 |
10 |
366470 |
328.9 |
-1.7 |
0.766 |
5 |
0 |
0 |
0.005 |
41 |
|
K |
31 |
11 |
7263 |
◊ |
K |
-x+1,y,-z+1/2 |
3_655 |
31 |
11 |
7263 |
321.5 |
-1.1 |
0.369 |
0 |
0 |
0 |
0.000 |
42 |
|
[OMU]0:2587 |
21 |
1 |
463 |
cf |
0 |
x,y,z |
1_555 |
49 |
11 |
366470 |
282.1 |
-0.5 |
0.845 |
1 |
0 |
0 |
0.001 |
43 |
|
[UR3]0:2619 |
21 |
1 |
442 |
cf |
0 |
x,y,z |
1_555 |
40 |
8 |
366470 |
282.0 |
-2.9 |
0.805 |
0 |
0 |
0 |
0.004 |
44 |
|
K |
27 |
9 |
7263 |
◊ |
B |
x,y,z |
1_555 |
36 |
11 |
18397 |
277.9 |
-1.8 |
0.304 |
2 |
0 |
0 |
0.000 |
45 |
|
[OMG]0:2588 |
24 |
1 |
512 |
cf |
0 |
x,y,z |
1_555 |
44 |
7 |
366470 |
273.5 |
-3.0 |
0.767 |
1 |
0 |
0 |
0.005 |
46 |
|
J |
29 |
6 |
8479 |
◊ |
E |
x,y,z |
1_555 |
30 |
8 |
10212 |
273.2 |
-4.0 |
0.088 |
2 |
0 |
0 |
0.006 |
47 |
|
2 |
30 |
7 |
5082 |
◊ |
S |
x,y,z |
1_555 |
28 |
8 |
5214 |
260.3 |
-2.9 |
0.195 |
2 |
0 |
0 |
0.005 |
48 |
|
[5AA]4:76 |
22 |
1 |
514 |
◊ |
0 |
x,y,z |
1_555 |
41 |
10 |
366470 |
255.9 |
1.7 |
0.545 |
4 |
0 |
0 |
0.000 |
49 |
|
9 |
31 |
7 |
19937 |
◊ |
Q |
x,y,z |
1_555 |
25 |
5 |
6605 |
254.5 |
-2.6 |
0.751 |
4 |
0 |
0 |
0.000 |
50 |
|
[PSU]0:2621 |
19 |
1 |
422 |
cf |
0 |
x,y,z |
1_555 |
41 |
7 |
366470 |
246.8 |
-2.0 |
0.683 |
3 |
0 |
0 |
0.005 |
51 |
|
J |
27 |
9 |
8479 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
18397 |
231.1 |
0.6 |
0.551 |
6 |
1 |
0 |
0.000 |
52 |
|
N |
31 |
8 |
10855 |
◊ |
D |
x,y,z |
1_555 |
19 |
5 |
9695 |
220.7 |
1.5 |
0.712 |
3 |
0 |
0 |
0.000 |
53 |
|
0 |
29 |
9 |
366470 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
26 |
9 |
10212 |
199.6 |
-1.9 |
0.774 |
1 |
0 |
0 |
0.000 |
54 |
|
U |
15 |
4 |
3978 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
18397 |
177.0 |
-1.5 |
0.317 |
5 |
0 |
0 |
0.000 |
55 |
|
O |
16 |
4 |
6504 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
14460 |
174.7 |
-1.3 |
0.268 |
0 |
0 |
0 |
0.000 |
56 |
|
2 |
21 |
5 |
5082 |
◊ |
1 |
x,y,z |
1_555 |
20 |
7 |
4880 |
174.5 |
-2.3 |
0.260 |
0 |
0 |
0 |
0.002 |
57 |
|
9 |
27 |
3 |
19937 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
21 |
2 |
366470 |
168.5 |
-0.1 |
0.929 |
1 |
0 |
0 |
0.000 |
58 |
|
0 |
23 |
6 |
366470 |
◊ |
V |
x,-y+1,-z |
4_565 |
18 |
7 |
4546 |
162.6 |
-3.4 |
0.459 |
1 |
0 |
0 |
0.000 |
59 |
|
1 |
16 |
4 |
4880 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
14460 |
161.8 |
-1.0 |
0.394 |
3 |
4 |
0 |
0.002 |
60 |
|
[5AA]4:76 |
22 |
1 |
514 |
cf |
4 |
x,y,z |
1_555 |
17 |
2 |
1360 |
157.9 |
2.5 |
0.498 |
0 |
0 |
0 |
0.000 |
61 |
|
3 |
13 |
4 |
7803 |
◊ |
M |
x,y,z |
1_555 |
21 |
6 |
12392 |
155.3 |
-2.6 |
0.126 |
1 |
0 |
0 |
0.002 |
62 |
|
0 |
16 |
2 |
366470 |
x |
0 |
x-1/2,y-1/2,z |
5_445 |
20 |
4 |
366470 |
146.7 |
-5.3 |
0.538 |
2 |
0 |
0 |
0.000 |
63 |
|
[K]0:9002 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
25 |
12 |
366470 |
131.4 |
-89.5 |
0.000 |
0 |
0 |
0 |
0.122 |
64 |
|
[DCZ]4:74 |
14 |
1 |
373 |
◊ |
0 |
x,y,z |
1_555 |
24 |
6 |
366470 |
130.0 |
-0.9 |
0.320 |
1 |
0 |
0 |
0.002 |
65 |
|
O |
17 |
6 |
6504 |
◊ |
L |
x,y,z |
1_555 |
11 |
4 |
11384 |
128.8 |
-0.0 |
0.448 |
0 |
0 |
0 |
0.000 |
66 |
|
[K]0:9001 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
15 |
8 |
366470 |
121.8 |
-103.6 |
0.000 |
0 |
0 |
0 |
0.141 |
67 |
|
0 |
21 |
3 |
366470 |
◊ |
0 |
-x+1,y,-z+1/2 |
3_655 |
21 |
3 |
366470 |
117.8 |
0.4 |
0.934 |
2 |
0 |
0 |
0.000 |
68 |
|
[DCZ]4:74 |
12 |
1 |
373 |
cf |
4 |
x,y,z |
1_555 |
15 |
1 |
1360 |
116.2 |
2.4 |
0.306 |
0 |
0 |
0 |
0.000 |
69 |
|
N |
16 |
7 |
10855 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
15 |
2 |
366470 |
109.7 |
-2.5 |
0.447 |
0 |
0 |
0 |
0.000 |
70 |
|
[K]0:9003 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
14 |
4 |
366470 |
109.6 |
-59.8 |
0.000 |
0 |
0 |
0 |
0.081 |
71 |
|
9 |
15 |
4 |
19937 |
◊ |
H |
x,y,z |
1_555 |
14 |
5 |
9317 |
98.1 |
-0.3 |
0.725 |
2 |
0 |
0 |
0.000 |
72 |
|
[CL]0:9305 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
20 |
7 |
366470 |
87.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.015 |
73 |
|
[OMG]0:2588 |
14 |
1 |
512 |
cf |
[OMU]0:2587 |
x,y,z |
1_555 |
12 |
1 |
463 |
87.3 |
-0.5 |
0.525 |
0 |
0 |
0 |
0.000 |
74 |
|
[5AA]4:76 |
15 |
1 |
514 |
◊ |
[UR3]0:2619 |
x,y,z |
1_555 |
13 |
1 |
442 |
82.5 |
1.3 |
0.527 |
0 |
0 |
0 |
0.000 |
75 |
|
T |
16 |
5 |
8112 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
14460 |
80.7 |
-1.1 |
0.300 |
0 |
0 |
0 |
0.000 |
76 |
|
[PO2]4:177 |
3 |
1 |
161 |
◊ |
0 |
x,y,z |
1_555 |
16 |
7 |
366470 |
78.5 |
1.4 |
0.520 |
0 |
0 |
0 |
0.000 |
77 |
|
[K]0:9003 |
1 |
1 |
216 |
◊ |
4 |
x,y,z |
1_555 |
9 |
2 |
1360 |
75.2 |
-44.1 |
0.000 |
0 |
0 |
0 |
0.060 |
78 |
|
[CL]R:9306 |
1 |
1 |
125 |
f |
R |
x,y,z |
1_555 |
10 |
4 |
8449 |
73.0 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.100 |
79 |
|
9 |
7 |
2 |
19937 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
9 |
3 |
18397 |
71.4 |
-0.5 |
0.613 |
1 |
0 |
0 |
0.000 |
80 |
|
[CL]3:9304 |
1 |
1 |
125 |
f |
3 |
x,y,z |
1_555 |
13 |
6 |
7803 |
69.4 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.100 |
81 |
|
[CL]M:9318 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
14 |
7 |
12392 |
68.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.100 |
82 |
|
[1MA]0:628 |
8 |
1 |
501 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10460 |
67.6 |
-2.3 |
0.208 |
0 |
0 |
0 |
0.002 |
83 |
|
[CL]0:9313 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
11 |
5 |
366470 |
67.4 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.013 |
84 |
|
[CL]0:9315 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
14 |
6 |
366470 |
67.4 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.014 |
85 |
|
[CD]O:9205 |
1 |
1 |
112 |
f |
O |
x,y,z |
1_555 |
19 |
7 |
6504 |
66.3 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.048 |
86 |
|
[CL]0:9322 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
3 |
366470 |
63.6 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.013 |
87 |
|
[CL]J:9302 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
9 |
4 |
8479 |
62.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.036 |
88 |
|
[CL]J:9301 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
13 |
5 |
8479 |
62.3 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.034 |
89 |
|
[CL]O:9308 |
1 |
1 |
125 |
f |
O |
x,y,z |
1_555 |
11 |
4 |
6504 |
61.7 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.052 |
90 |
|
[CL]Y:9320 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
13 |
4 |
366470 |
60.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.008 |
91 |
|
[CL]0:9314 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
12 |
4 |
11384 |
60.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.045 |
92 |
|
[CL]A:9309 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14333 |
60.1 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.100 |
93 |
|
[CL]N:9307 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
11 |
4 |
10855 |
59.0 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.115 |
94 |
|
[CL]L:9310 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
12 |
4 |
11384 |
58.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.055 |
95 |
|
[CL]0:9303 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
5 |
366470 |
58.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.010 |
96 |
|
[CL]0:9311 |
1 |
1 |
125 |
f |
Q |
x,y,z |
1_555 |
11 |
6 |
6605 |
57.8 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.100 |
97 |
|
[CL]B:9319 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
18397 |
57.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.100 |
98 |
|
[CL]J:9321 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
13 |
6 |
8479 |
56.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.030 |
99 |
|
[CD]U:9201 |
1 |
1 |
112 |
f |
U |
x,y,z |
1_555 |
1 |
1 |
3978 |
55.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.100 |
100 |
|
[CL]0:9317 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10460 |
54.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.005 |
101 |
|
W |
6 |
1 |
8132 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
10 |
1 |
366470 |
53.9 |
-0.7 |
0.280 |
0 |
0 |
0 |
0.000 |
102 |
|
Y |
5 |
1 |
10460 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
11384 |
53.8 |
0.4 |
0.618 |
0 |
0 |
0 |
0.000 |
103 |
|
[OMG]0:2588 |
4 |
1 |
512 |
◊ |
4 |
x,y,z |
1_555 |
4 |
1 |
1360 |
53.3 |
-0.0 |
0.495 |
3 |
0 |
0 |
0.002 |
104 |
|
[CL]0:9316 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
8 |
3 |
8479 |
53.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.006 |
105 |
|
[CL]0:9316 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
8 |
3 |
366470 |
51.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.009 |
106 |
|
[CL]0:9317 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
13 |
3 |
366470 |
51.0 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.009 |
107 |
|
[CL]0:9312 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
10 |
5 |
7263 |
51.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.100 |
108 |
|
D |
6 |
1 |
9695 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
3 |
1 |
18397 |
50.9 |
-0.4 |
0.449 |
0 |
0 |
0 |
0.000 |
109 |
|
[PO2]4:177 |
3 |
1 |
161 |
cf |
4 |
x,y,z |
1_555 |
8 |
2 |
1360 |
49.4 |
0.8 |
0.381 |
0 |
0 |
0 |
0.000 |
110 |
|
[CL]0:9312 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
11 |
4 |
366470 |
49.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.007 |
111 |
|
[5AA]4:76 |
5 |
1 |
514 |
◊ |
[OMG]0:2588 |
x,y,z |
1_555 |
5 |
1 |
512 |
45.9 |
1.9 |
0.625 |
0 |
0 |
0 |
0.000 |
112 |
|
[CL]Y:9320 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
5 |
3 |
10460 |
45.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.004 |
113 |
|
[CL]0:9314 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
1 |
366470 |
43.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.005 |
114 |
|
[CL]O:9308 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
10 |
2 |
366470 |
42.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.006 |
115 |
|
[K]0:9002 |
1 |
1 |
216 |
◊ |
M |
x,y,z |
1_555 |
5 |
1 |
12392 |
42.0 |
-22.3 |
0.000 |
0 |
0 |
0 |
0.024 |
116 |
|
[CL]B:9319 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
366470 |
40.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.003 |
117 |
|
[CL]L:9310 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
366470 |
37.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.004 |
118 |
|
[CL]0:9311 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
2 |
366470 |
36.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.005 |
119 |
|
[CL]N:9307 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
9695 |
33.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.004 |
120 |
|
[DCZ]4:74 |
3 |
1 |
373 |
◊ |
[OMG]0:2588 |
x,y,z |
1_555 |
5 |
1 |
512 |
31.2 |
0.6 |
0.377 |
0 |
0 |
0 |
0.000 |
121 |
|
[CL]0:9303 |
1 |
1 |
125 |
◊ |
2 |
x,y,z |
1_555 |
3 |
1 |
5082 |
30.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.005 |
122 |
|
3 |
4 |
1 |
7803 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
11384 |
30.4 |
0.7 |
0.507 |
0 |
0 |
0 |
0.000 |
123 |
|
[CL]J:9321 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
366470 |
29.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.004 |
124 |
|
[CL]A:9309 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
366470 |
26.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.005 |
125 |
|
[CL]J:9301 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10212 |
25.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.003 |
126 |
|
G |
5 |
2 |
2771 |
◊ |
0 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
3 |
1 |
366470 |
19.0 |
0.4 |
0.715 |
0 |
0 |
0 |
0.000 |
127 |
|
[PO2]4:177 |
2 |
1 |
161 |
f |
[5AA]4:76 |
x,y,z |
1_555 |
3 |
1 |
514 |
17.0 |
0.5 |
0.615 |
1 |
0 |
0 |
0.000 |
128 |
|
[PO2]4:177 |
2 |
1 |
161 |
◊ |
[K]0:9003 |
x,y,z |
1_555 |
1 |
1 |
216 |
13.6 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.010 |
129 |
|
0 |
2 |
2 |
366470 |
◊ |
F |
x,-y+1,-z |
4_565 |
2 |
1 |
6205 |
12.1 |
-0.9 |
0.309 |
0 |
0 |
0 |
0.000 |
130 |
|
[CL]0:9322 |
1 |
1 |
125 |
◊ |
W |
x,y,z |
1_555 |
3 |
1 |
8132 |
10.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.001 |
131 |
|
[CL]R:9306 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
2 |
366470 |
10.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
132 |
|
[CL]0:9313 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
1 |
1 |
10460 |
9.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
133 |
|
M |
2 |
1 |
12392 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14333 |
7.7 |
0.2 |
0.622 |
0 |
0 |
0 |
0.000 |
134 |
|
[CL]Y:9320 |
1 |
1 |
125 |
f |
[CL]0:9313 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
135 |
|
[CL]N:9307 |
1 |
1 |
125 |
◊ |
9 |
x,y,z |
1_555 |
2 |
2 |
19937 |
7.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.015 |
136 |
|
[UR3]0:2619 |
2 |
1 |
442 |
◊ |
4 |
x,y,z |
1_555 |
3 |
2 |
1360 |
5.8 |
-0.4 |
0.460 |
0 |
0 |
0 |
0.000 |
137 |
|
N |
1 |
1 |
10855 |
◊ |
P |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
10716 |
5.2 |
-0.1 |
0.438 |
0 |
0 |
0 |
0.000 |
138 |
|
[PO2]4:177 |
1 |
1 |
161 |
◊ |
[UR3]0:2619 |
x,y,z |
1_555 |
2 |
1 |
442 |
3.4 |
-0.2 |
0.685 |
0 |
0 |
0 |
0.000 |
139 |
|
[CL]J:9301 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
366470 |
2.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
140 |
|
[CL]J:9302 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
366470 |
1.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
141 |
|
2 |
1 |
1 |
5082 |
◊ |
R |
x,y,z |
1_555 |
1 |
1 |
8449 |
1.2 |
0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
142 |
|
[5AA]4:76 |
1 |
1 |
514 |
f |
[DCZ]4:74 |
x,y,z |
1_555 |
1 |
1 |
373 |
1.0 |
0.0 |
0.342 |
0 |
0 |
0 |
0.000 |
|