| ## |
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 |
|
A |
385 |
74 |
208383 |
◊ |
L |
x,y,z |
1_555 |
309 |
80 |
9254 |
3266.8 |
-60.9 |
0.818 |
64 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
371 |
61 |
208383 |
◊ |
D |
x,y,z |
1_555 |
287 |
76 |
11912 |
2955.3 |
-52.3 |
0.808 |
78 |
0 |
0 |
0.021 |
| 3 |
3 |
|
A |
339 |
66 |
208383 |
◊ |
I |
x,y,z |
1_555 |
268 |
59 |
8238 |
2880.3 |
-58.9 |
0.675 |
66 |
0 |
0 |
0.022 |
| 4 |
4 |
|
A |
325 |
58 |
208383 |
◊ |
Q |
x,y,z |
1_555 |
254 |
58 |
7806 |
2686.0 |
-39.7 |
0.795 |
54 |
0 |
0 |
0.016 |
| 5 |
5 |
|
A |
298 |
61 |
208383 |
◊ |
T |
x,y,z |
1_555 |
236 |
59 |
6982 |
2515.3 |
-51.2 |
0.641 |
50 |
0 |
0 |
0.018 |
| 6 |
6 |
|
A |
285 |
52 |
208383 |
◊ |
P |
x,y,z |
1_555 |
242 |
55 |
5375 |
2442.6 |
-40.1 |
0.744 |
43 |
0 |
0 |
0.015 |
| 7 |
7 |
|
A |
255 |
42 |
208383 |
◊ |
M |
x,y,z |
1_555 |
227 |
56 |
9224 |
2285.8 |
-48.2 |
0.585 |
56 |
0 |
0 |
0.019 |
| 8 |
8 |
|
A |
247 |
42 |
208383 |
◊ |
E |
x,y,z |
1_555 |
189 |
57 |
8423 |
1975.0 |
-33.5 |
0.706 |
45 |
0 |
0 |
0.000 |
| 9 |
9 |
|
A |
239 |
41 |
208383 |
◊ |
G |
x,y,z |
1_555 |
182 |
45 |
10153 |
1914.0 |
-21.6 |
0.932 |
41 |
0 |
0 |
0.011 |
| 10 |
10 |
|
A |
254 |
49 |
208383 |
◊ |
N |
x,y,z |
1_555 |
165 |
36 |
5663 |
1882.2 |
-34.8 |
0.781 |
42 |
0 |
0 |
0.014 |
| 11 |
11 |
|
A |
235 |
43 |
208383 |
◊ |
H |
x,y,z |
1_555 |
181 |
50 |
8267 |
1844.0 |
-29.0 |
0.351 |
32 |
0 |
0 |
0.011 |
| 12 |
12 |
|
A |
204 |
40 |
208383 |
◊ |
O |
x,y,z |
1_555 |
175 |
43 |
6459 |
1799.8 |
-35.3 |
0.578 |
39 |
0 |
0 |
0.014 |
| 13 |
13 |
|
A |
215 |
43 |
208383 |
◊ |
K |
x,y,z |
1_555 |
168 |
42 |
7515 |
1784.8 |
-31.0 |
0.718 |
38 |
0 |
0 |
0.012 |
| 14 |
14 |
|
A |
212 |
40 |
208383 |
◊ |
C |
x,y,z |
1_555 |
174 |
45 |
11798 |
1773.4 |
-30.9 |
0.695 |
27 |
0 |
0 |
0.012 |
| 15 |
15 |
|
A |
230 |
42 |
208383 |
◊ |
J |
x,y,z |
1_555 |
170 |
45 |
7254 |
1746.2 |
-29.8 |
0.748 |
31 |
0 |
0 |
0.012 |
| 16 |
16 |
|
A |
198 |
39 |
208383 |
◊ |
S |
x,y,z |
1_555 |
164 |
28 |
5941 |
1603.3 |
-19.5 |
0.927 |
30 |
0 |
0 |
0.009 |
| 17 |
17 |
|
A |
145 |
31 |
208383 |
◊ |
U |
x,y,z |
1_555 |
124 |
23 |
2389 |
1278.5 |
-25.8 |
0.432 |
32 |
0 |
0 |
0.011 |
| 18 |
18 |
|
A |
166 |
27 |
208383 |
x |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
174 |
30 |
208383 |
1222.5 |
-23.8 |
0.976 |
11 |
0 |
0 |
0.000 |
| 19 |
19 |
|
R |
113 |
27 |
5550 |
◊ |
F |
x,y,z |
1_555 |
104 |
25 |
6841 |
1049.0 |
-6.4 |
0.170 |
19 |
3 |
0 |
0.004 |
| 20 |
20 |
|
A |
105 |
21 |
208383 |
◊ |
R |
x,y,z |
1_555 |
77 |
20 |
5550 |
923.5 |
-21.7 |
0.458 |
19 |
0 |
0 |
0.008 |
| 21 |
21 |
|
A |
119 |
27 |
208383 |
◊ |
B |
x,y,z |
1_555 |
91 |
30 |
12318 |
918.6 |
-14.9 |
0.774 |
16 |
0 |
0 |
0.006 |
| 22 |
22 |
|
N |
83 |
20 |
5663 |
◊ |
C |
x,y,z |
1_555 |
101 |
26 |
11798 |
817.7 |
-10.6 |
0.078 |
6 |
0 |
0 |
0.004 |
| 23 |
23 |
|
N |
84 |
18 |
5663 |
◊ |
J |
x,y,z |
1_555 |
87 |
18 |
7254 |
777.6 |
-7.2 |
0.291 |
9 |
4 |
0 |
0.003 |
| 24 |
24 |
|
H |
58 |
19 |
8267 |
◊ |
E |
x,y,z |
1_555 |
63 |
17 |
8423 |
578.4 |
-2.2 |
0.391 |
5 |
4 |
0 |
0.000 |
| 25 |
25 |
|
A |
62 |
14 |
208383 |
◊ |
F |
x,y,z |
1_555 |
67 |
19 |
6841 |
547.0 |
-7.7 |
0.713 |
14 |
0 |
0 |
0.004 |
| 26 |
26 |
|
[PAR]Z:1 |
35 |
1 |
768 |
f |
A |
x,y,z |
1_555 |
58 |
14 |
208383 |
449.0 |
-19.8 |
0.621 |
8 |
0 |
0 |
0.006 |
| 27 |
27 |
|
A |
49 |
13 |
208383 |
◊ |
M |
-y+1/2,x-1/2,z+1/4 |
3_545 |
41 |
16 |
9224 |
397.5 |
-8.7 |
0.564 |
4 |
0 |
0 |
0.000 |
| 28 |
28 |
|
S |
48 |
12 |
5941 |
◊ |
M |
x,y,z |
1_555 |
43 |
12 |
9224 |
393.3 |
-2.4 |
0.476 |
2 |
0 |
0 |
0.000 |
| 29 |
29 |
|
J |
40 |
13 |
7254 |
◊ |
C |
x,y,z |
1_555 |
42 |
11 |
11798 |
355.2 |
-4.0 |
0.265 |
0 |
0 |
0 |
0.001 |
| 30 |
30 |
|
E |
45 |
17 |
8423 |
◊ |
E |
y,x,-z |
7_555 |
46 |
17 |
8423 |
342.7 |
4.9 |
0.855 |
2 |
0 |
0 |
0.000 |
| 31 |
31 |
|
B |
34 |
12 |
12318 |
◊ |
B |
y,x,-z |
7_555 |
35 |
12 |
12318 |
339.3 |
2.5 |
0.826 |
2 |
0 |
0 |
0.000 |
| 32 |
32 |
|
H |
32 |
12 |
8267 |
◊ |
D |
y,x,-z |
7_555 |
30 |
12 |
11912 |
315.6 |
6.0 |
0.853 |
3 |
6 |
0 |
0.000 |
| 33 |
33 |
|
R |
32 |
8 |
5550 |
◊ |
K |
x,y,z |
1_555 |
41 |
14 |
7515 |
314.7 |
-2.1 |
0.433 |
5 |
2 |
0 |
0.001 |
| 34 |
34 |
|
X |
35 |
4 |
1076 |
◊ |
A |
x,y,z |
1_555 |
37 |
9 |
208383 |
302.4 |
-3.4 |
0.791 |
3 |
0 |
0 |
0.000 |
| 35 |
35 |
|
E |
31 |
11 |
8423 |
◊ |
D |
x,y,z |
1_555 |
30 |
10 |
11912 |
268.4 |
1.0 |
0.586 |
1 |
4 |
0 |
0.000 |
| 36 |
36 |
|
[6MZ]Y:37 |
22 |
1 |
486 |
cf |
Y |
x,y,z |
1_555 |
38 |
4 |
2430 |
259.6 |
5.2 |
0.798 |
0 |
0 |
0 |
0.000 |
| 37 |
37 |
|
H |
25 |
7 |
8267 |
◊ |
B |
x,y,z |
1_555 |
39 |
9 |
12318 |
252.8 |
-1.8 |
0.375 |
4 |
2 |
0 |
0.001 |
| 38 |
38 |
|
I |
25 |
8 |
8238 |
◊ |
G |
x,y,z |
1_555 |
21 |
8 |
10153 |
223.7 |
-2.8 |
0.214 |
1 |
0 |
0 |
0.000 |
| 39 |
39 |
|
K |
27 |
8 |
7515 |
◊ |
G |
x,y,z |
1_555 |
26 |
8 |
10153 |
219.8 |
-2.5 |
0.313 |
0 |
0 |
0 |
0.000 |
| 40 |
40 |
|
Q |
22 |
5 |
7806 |
◊ |
L |
x,y,z |
1_555 |
22 |
7 |
9254 |
207.0 |
-2.7 |
0.244 |
1 |
0 |
0 |
0.000 |
| 41 |
41 |
|
K |
22 |
8 |
7515 |
◊ |
A |
x,y,z-1 |
1_554 |
22 |
3 |
208383 |
186.8 |
-1.0 |
0.743 |
2 |
0 |
0 |
0.000 |
| 42 |
42 |
|
J |
16 |
4 |
7254 |
◊ |
J |
-y+1,-x+1,-z+1/2 |
8_665 |
17 |
4 |
7254 |
180.0 |
1.5 |
0.769 |
4 |
0 |
0 |
0.000 |
| 43 |
43 |
|
[CM0]Y:34 |
17 |
1 |
495 |
cf |
Y |
x,y,z |
1_555 |
25 |
3 |
2430 |
164.2 |
0.4 |
0.640 |
1 |
0 |
0 |
0.000 |
| 44 |
44 |
|
Y |
18 |
2 |
2430 |
◊ |
A |
x,y,z |
1_555 |
22 |
5 |
208383 |
158.1 |
-2.2 |
0.716 |
2 |
0 |
0 |
0.000 |
| 45 |
45 |
|
A |
17 |
4 |
208383 |
◊ |
I |
-y+1/2,x-1/2,z+1/4 |
3_545 |
12 |
3 |
8238 |
155.2 |
-2.4 |
0.564 |
6 |
0 |
0 |
0.000 |
| 46 |
46 |
|
J |
24 |
7 |
7254 |
◊ |
I |
x,y,z |
1_555 |
15 |
4 |
8238 |
152.5 |
-0.8 |
0.396 |
0 |
0 |
0 |
0.000 |
| 47 |
47 |
|
[K]Z:1237 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
208383 |
136.9 |
-87.4 |
0.000 |
0 |
0 |
0 |
0.024 |
| 48 |
48 |
|
Q |
19 |
6 |
7806 |
◊ |
H |
x,y,z |
1_555 |
18 |
4 |
8267 |
135.9 |
-0.8 |
0.479 |
0 |
0 |
0 |
0.000 |
| 49 |
49 |
|
[K]Z:1203 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
208383 |
135.5 |
-89.3 |
0.000 |
0 |
0 |
0 |
0.024 |
| 50 |
50 |
|
[K]Z:1196 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
208383 |
131.6 |
-89.3 |
0.000 |
0 |
0 |
0 |
0.024 |
| 51 |
51 |
|
[K]Z:1205 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
208383 |
129.1 |
-72.5 |
0.000 |
0 |
0 |
0 |
0.020 |
| 52 |
52 |
|
[K]Z:1193 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
208383 |
128.2 |
-78.8 |
0.000 |
0 |
0 |
0 |
0.021 |
| 53 |
53 |
|
[K]Z:1233 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
208383 |
127.9 |
-85.8 |
0.000 |
0 |
0 |
0 |
0.023 |
| 54 |
54 |
|
[K]Z:1219 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
16 |
6 |
8423 |
125.9 |
-92.2 |
0.000 |
0 |
0 |
0 |
0.401 |
| 55 |
55 |
|
[K]Z:1197 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
208383 |
125.3 |
-80.8 |
0.000 |
0 |
0 |
0 |
0.022 |
| 56 |
56 |
|
[K]Z:1226 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
208383 |
124.7 |
-76.9 |
0.000 |
0 |
0 |
0 |
0.021 |
| 57 |
57 |
|
[K]Z:1189 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
208383 |
123.2 |
-75.0 |
0.000 |
0 |
0 |
0 |
0.020 |
| 58 |
58 |
|
[K]Z:1239 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
208383 |
121.7 |
-76.8 |
0.000 |
0 |
0 |
0 |
0.021 |
| 59 |
59 |
|
[K]Z:1190 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
208383 |
119.6 |
-76.5 |
0.000 |
0 |
0 |
0 |
0.021 |
| 60 |
60 |
|
[K]Z:1207 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
208383 |
119.2 |
-86.1 |
0.000 |
0 |
0 |
0 |
0.023 |
| 61 |
61 |
|
[K]Z:1202 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
208383 |
117.9 |
-81.8 |
0.000 |
0 |
0 |
0 |
0.022 |
| 62 |
62 |
|
[K]Z:1221 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
208383 |
117.8 |
-75.5 |
0.000 |
0 |
0 |
0 |
0.020 |
| 63 |
63 |
|
[K]Z:1200 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
208383 |
117.4 |
-75.6 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
|
[K]Z:1204 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
208383 |
116.8 |
-81.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
117.1 |
-78.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 64 |
65 |
|
[K]Z:1215 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
208383 |
117.2 |
-61.7 |
0.000 |
0 |
0 |
0 |
0.017 |
| 65 |
66 |
|
Y |
15 |
2 |
2430 |
◊ |
X |
x,y,z |
1_555 |
16 |
3 |
1076 |
116.5 |
-0.1 |
0.737 |
4 |
0 |
0 |
0.000 |
| 66 |
67 |
|
[K]Z:1218 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
208383 |
116.0 |
-66.5 |
0.000 |
0 |
0 |
0 |
0.018 |
| 67 |
68 |
|
[K]Z:1191 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
208383 |
115.3 |
-75.6 |
0.000 |
0 |
0 |
0 |
0.020 |
| 68 |
69 |
|
[K]Z:1220 |
1 |
1 |
216 |
f |
T |
x,y,z |
1_555 |
16 |
7 |
6982 |
114.4 |
-67.1 |
0.000 |
0 |
0 |
0 |
0.100 |
| 69 |
70 |
|
[K]Z:1231 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
208383 |
112.9 |
-102.0 |
0.000 |
0 |
0 |
0 |
0.028 |
| 70 |
71 |
|
[K]Z:1216 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
208383 |
112.9 |
-80.3 |
0.000 |
0 |
0 |
0 |
0.022 |
| 71 |
72 |
|
[K]Z:1229 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
208383 |
112.8 |
-71.1 |
0.000 |
0 |
0 |
0 |
0.019 |
| 72 |
73 |
|
[K]Z:1222 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
208383 |
112.7 |
-73.1 |
0.000 |
0 |
0 |
0 |
0.020 |
| 73 |
74 |
|
[K]Z:1206 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
208383 |
112.5 |
-77.4 |
0.000 |
0 |
0 |
0 |
0.021 |
| 74 |
75 |
|
[K]Z:1209 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
208383 |
112.0 |
-73.5 |
0.000 |
0 |
0 |
0 |
0.020 |
| 75 |
76 |
|
[K]Z:1240 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
208383 |
111.9 |
-63.9 |
0.000 |
0 |
0 |
0 |
0.017 |
| 76 |
77 |
|
[K]Z:1217 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
208383 |
111.3 |
-71.2 |
0.000 |
0 |
0 |
0 |
0.019 |
| 77 |
78 |
|
[K]Z:1235 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
208383 |
110.9 |
-71.9 |
0.000 |
0 |
0 |
0 |
0.019 |
| 78 |
79 |
|
[K]Z:1227 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
208383 |
110.6 |
-74.3 |
0.000 |
0 |
0 |
0 |
0.020 |
| 79 |
80 |
|
[K]Z:1208 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
208383 |
107.5 |
-68.4 |
0.000 |
0 |
0 |
0 |
0.019 |
| 80 |
81 |
|
[K]Z:1212 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
208383 |
106.1 |
-71.8 |
0.000 |
0 |
0 |
0 |
0.019 |
| 81 |
82 |
|
[K]Z:1225 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
208383 |
105.4 |
-102.9 |
0.000 |
0 |
0 |
0 |
0.028 |
| 82 |
83 |
|
[K]Z:1238 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
208383 |
104.6 |
-69.3 |
0.000 |
0 |
0 |
0 |
0.019 |
| 83 |
84 |
|
[K]Z:1188 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
208383 |
104.3 |
-71.1 |
0.000 |
0 |
0 |
0 |
0.019 |
| 84 |
85 |
|
[K]Z:1228 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
208383 |
102.4 |
-60.9 |
0.000 |
0 |
0 |
0 |
0.016 |
| 85 |
86 |
|
[K]Z:1230 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
208383 |
102.0 |
-62.2 |
0.000 |
0 |
0 |
0 |
0.017 |
| 86 |
87 |
|
[K]Z:1213 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
208383 |
101.9 |
-71.0 |
0.000 |
0 |
0 |
0 |
0.019 |
| 87 |
88 |
|
[K]Z:1234 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
17 |
7 |
8423 |
101.0 |
-71.0 |
0.000 |
0 |
0 |
0 |
0.309 |
| 88 |
89 |
|
[K]Z:1224 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
208383 |
100.8 |
-67.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 89 |
90 |
|
[K]Z:1199 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
208383 |
100.3 |
-58.8 |
0.000 |
0 |
0 |
0 |
0.016 |
| 90 |
91 |
|
[K]Z:1241 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
208383 |
99.2 |
-62.7 |
0.000 |
0 |
0 |
0 |
0.017 |
| 91 |
92 |
|
[K]Z:1198 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
208383 |
98.9 |
-64.5 |
0.000 |
0 |
0 |
0 |
0.017 |
| 92 |
93 |
|
[K]Z:1192 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
208383 |
98.8 |
-63.4 |
0.000 |
0 |
0 |
0 |
0.017 |
| 93 |
94 |
|
[K]Z:1232 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
208383 |
95.9 |
-55.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 94 |
95 |
|
[K]Z:1187 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
208383 |
94.0 |
-62.8 |
0.000 |
0 |
0 |
0 |
0.017 |
| 95 |
96 |
|
[CM0]Y:34 |
13 |
1 |
495 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
208383 |
93.8 |
-0.9 |
0.540 |
0 |
0 |
0 |
0.000 |
| 96 |
97 |
|
[K]Z:1214 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
208383 |
93.1 |
-60.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 97 |
98 |
|
[K]Z:1195 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
208383 |
90.1 |
-56.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 98 |
99 |
|
[K]Z:1194 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
208383 |
86.5 |
-50.2 |
0.000 |
0 |
0 |
0 |
0.014 |
| 99 |
100 |
|
X |
13 |
3 |
1076 |
◊ |
L |
x,y,z |
1_555 |
9 |
2 |
9254 |
86.2 |
-2.2 |
0.478 |
1 |
0 |
0 |
0.000 |
| 100 |
101 |
|
E |
9 |
4 |
8423 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
11798 |
85.3 |
0.7 |
0.441 |
0 |
0 |
0 |
0.000 |
| 101 |
102 |
|
[K]Z:1223 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
15 |
2 |
10153 |
85.0 |
-51.7 |
0.000 |
0 |
0 |
0 |
0.100 |
| 102 |
103 |
|
[K]Z:1210 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
208383 |
82.2 |
-52.6 |
0.000 |
0 |
0 |
0 |
0.014 |
| 103 |
104 |
|
[K]Z:1201 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
208383 |
81.7 |
-46.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| 104 |
105 |
|
[K]Z:1242 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
208383 |
78.1 |
-48.1 |
0.000 |
0 |
0 |
0 |
0.013 |
| 105 |
106 |
|
[6MZ]Y:37 |
9 |
1 |
486 |
◊ |
A |
x,y,z |
1_555 |
12 |
1 |
208383 |
77.6 |
1.1 |
0.626 |
0 |
0 |
0 |
0.000 |
| 106 |
107 |
|
[K]Z:1211 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
208383 |
77.0 |
-47.3 |
0.000 |
0 |
0 |
0 |
0.013 |
| 107 |
108 |
|
[6MZ]Y:37 |
14 |
1 |
486 |
◊ |
X |
x,y,z |
1_555 |
12 |
1 |
1076 |
75.1 |
2.4 |
0.670 |
0 |
0 |
0 |
0.000 |
| 108 |
109 |
|
[K]Z:1223 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
208383 |
74.6 |
-43.0 |
0.000 |
0 |
0 |
0 |
0.011 |
| 109 |
110 |
|
A |
8 |
2 |
208383 |
◊ |
G |
-y+1/2,x-1/2,z+1/4 |
3_545 |
10 |
3 |
10153 |
72.4 |
-1.5 |
0.474 |
0 |
0 |
0 |
0.000 |
| 110 |
111 |
|
[K]Z:1220 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
208383 |
72.1 |
-42.1 |
0.000 |
0 |
0 |
0 |
0.010 |
| 111 |
112 |
|
[K]Z:1236 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
13 |
4 |
8423 |
71.6 |
-41.2 |
0.000 |
0 |
0 |
0 |
0.179 |
| 112 |
113 |
|
[CM0]Y:34 |
10 |
1 |
495 |
◊ |
X |
x,y,z |
1_555 |
9 |
4 |
1076 |
71.5 |
1.4 |
0.661 |
2 |
0 |
0 |
0.000 |
| 113 |
114 |
|
[K]Z:1211 |
1 |
1 |
216 |
◊ |
Q |
x,y,z |
1_555 |
7 |
2 |
7806 |
70.8 |
-35.1 |
0.000 |
0 |
0 |
0 |
0.009 |
| 114 |
115 |
|
N |
14 |
3 |
5663 |
◊ |
I |
x,y,z |
1_555 |
7 |
1 |
8238 |
67.6 |
0.4 |
0.656 |
1 |
1 |
0 |
0.000 |
| 115 |
116 |
|
[K]Z:1234 |
1 |
1 |
216 |
◊ |
E |
y,x,-z |
7_555 |
4 |
1 |
8423 |
60.9 |
-27.7 |
0.000 |
0 |
0 |
0 |
0.120 |
| 116 |
117 |
|
A |
6 |
2 |
208383 |
◊ |
M |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
6 |
3 |
9224 |
60.5 |
-1.7 |
0.386 |
0 |
0 |
0 |
0.000 |
| 117 |
118 |
|
[K]Z:1212 |
1 |
1 |
216 |
◊ |
M |
x,y,z |
1_555 |
11 |
3 |
9224 |
60.0 |
-33.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| 118 |
119 |
|
[K]Z:1227 |
1 |
1 |
216 |
f |
[K]Z:1201 |
x,y,z |
1_555 |
1 |
1 |
216 |
56.5 |
-56.5 |
0.000 |
0 |
0 |
0 |
0.015 |
| 119 |
120 |
|
[K]Z:1204 |
1 |
1 |
216 |
f |
[K]Z:1200 |
x,y,z |
1_555 |
1 |
1 |
216 |
56.4 |
-56.4 |
0.000 |
0 |
0 |
0 |
0.100 |
| 120 |
121 |
|
L |
4 |
1 |
9254 |
◊ |
H |
x,y,z |
1_555 |
9 |
2 |
8267 |
55.8 |
-0.9 |
0.233 |
0 |
0 |
0 |
0.000 |
| 121 |
122 |
|
[K]Z:1232 |
1 |
1 |
216 |
f |
[K]Z:1187 |
x,y,z |
1_555 |
1 |
1 |
216 |
54.9 |
-54.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 122 |
123 |
|
[K]Z:1236 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
208383 |
53.6 |
-29.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 123 |
124 |
|
[K]Z:1215 |
1 |
1 |
216 |
◊ |
U |
x,y,z |
1_555 |
3 |
2 |
2389 |
52.8 |
-27.8 |
0.000 |
0 |
0 |
0 |
0.008 |
| 124 |
125 |
|
[K]Z:1232 |
1 |
1 |
216 |
f |
[K]Z:1192 |
x,y,z |
1_555 |
1 |
1 |
216 |
51.2 |
-51.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 125 |
126 |
|
[K]Z:1192 |
1 |
1 |
216 |
f |
[K]Z:1187 |
x,y,z |
1_555 |
1 |
1 |
216 |
43.8 |
-43.8 |
0.000 |
0 |
0 |
0 |
0.012 |
| 126 |
127 |
|
M |
5 |
1 |
9224 |
◊ |
I |
x,y,z |
1_555 |
6 |
2 |
8238 |
43.6 |
-0.1 |
0.523 |
0 |
1 |
0 |
0.000 |
| 127 |
128 |
|
[K]Z:1240 |
1 |
1 |
216 |
f |
[PAR]Z:1 |
x,y,z |
1_555 |
3 |
1 |
768 |
36.7 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.005 |
| 128 |
129 |
|
A |
7 |
2 |
208383 |
◊ |
[K]Z:1210 |
-y+1/2,x-1/2,z+1/4 |
3_545 |
1 |
1 |
216 |
36.5 |
-19.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 129 |
130 |
|
[K]Z:1229 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11798 |
35.1 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| 130 |
131 |
|
U |
4 |
2 |
2389 |
◊ |
M |
x,y,z |
1_555 |
4 |
3 |
9224 |
30.8 |
0.1 |
0.440 |
0 |
0 |
0 |
0.000 |
| 131 |
132 |
|
[K]Z:1241 |
1 |
1 |
216 |
◊ |
P |
x,y,z |
1_555 |
4 |
2 |
5375 |
30.6 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.004 |
| 132 |
133 |
|
C |
3 |
2 |
11798 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12318 |
26.0 |
0.2 |
0.479 |
0 |
0 |
0 |
0.000 |
| 133 |
134 |
|
O |
2 |
1 |
6459 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
6841 |
23.7 |
0.2 |
0.432 |
0 |
0 |
0 |
0.000 |
| 134 |
135 |
|
[K]Z:1207 |
1 |
1 |
216 |
◊ |
P |
x,y,z |
1_555 |
5 |
1 |
5375 |
17.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 135 |
136 |
|
Y |
4 |
2 |
2430 |
◊ |
M |
x,y,z |
1_555 |
3 |
2 |
9224 |
16.7 |
0.2 |
0.677 |
0 |
0 |
0 |
0.000 |
| 136 |
137 |
|
[ZN]Z:1121 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
208383 |
16.3 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.002 |
| 137 |
138 |
|
[K]Z:1200 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
9254 |
14.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 138 |
139 |
|
[K]Z:1225 |
1 |
1 |
216 |
◊ |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
2 |
1 |
208383 |
11.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 139 |
140 |
|
[K]Z:1208 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
9254 |
10.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 140 |
141 |
|
[K]Z:1235 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11798 |
9.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.001 |
| 141 |
142 |
|
[K]Z:1210 |
1 |
1 |
216 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
7515 |
7.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 142 |
143 |
|
[K]Z:1213 |
1 |
1 |
216 |
f |
[K]Z:1188 |
x,y,z |
1_555 |
1 |
1 |
216 |
6.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 143 |
144 |
|
[K]Z:1199 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
8423 |
4.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 144 |
145 |
|
[K]Z:1215 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
10153 |
4.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 145 |
146 |
|
D |
2 |
1 |
11912 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11798 |
3.8 |
0.2 |
0.775 |
0 |
0 |
0 |
0.000 |
| 146 |
147 |
|
A |
1 |
1 |
208383 |
◊ |
K |
-y+1/2,x-1/2,z+1/4 |
3_545 |
1 |
1 |
7515 |
2.2 |
-0.0 |
0.488 |
0 |
0 |
0 |
0.000 |
| 147 |
148 |
|
S |
1 |
1 |
5941 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
5663 |
2.0 |
-0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
| 148 |
149 |
|
Q |
1 |
1 |
7806 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
6459 |
0.8 |
-0.0 |
0.660 |
0 |
0 |
0 |
0.000 |
|