NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
6304 |
1irz   |
5174 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H THR 1 1HT THR 1 26.550 2.890 -2.109
2 2H THR 1 2HT THR 1 25.194 2.106 -2.767
3 3H THR 1 3HT THR 1 25.058 2.962 -1.306
4 HA THR 1 HA THR 1 25.429 5.043 -2.403
5 HB THR 1 HB THR 1 25.391 4.762 -5.047
6 HG1 THR 1 1HG THR 1 25.557 2.726 -5.509
7 1HG2 THR 1 1HG2 THR 1 28.053 4.133 -3.884
8 2HG2 THR 1 2HG2 THR 1 27.235 5.562 -3.253
9 3HG2 THR 1 3HG2 THR 1 27.580 5.433 -4.977
10 H ALA 2 H ALA 2 23.332 5.561 -1.895
11 HA ALA 2 HA ALA 2 21.270 5.405 -3.827
12 1HB ALA 2 1HB ALA 2 21.140 3.036 -3.495
13 2HB ALA 2 2HB ALA 2 19.779 3.727 -2.611
14 3HB ALA 2 3HB ALA 2 21.224 3.211 -1.742
15 H GLN 3 H GLN 3 19.104 6.045 -2.831
16 HA GLN 3 HA GLN 3 19.340 8.291 -1.180
17 1HB GLN 3 2HB GLN 3 17.177 6.648 -2.197
18 2HB GLN 3 1HB GLN 3 16.825 7.195 -0.558
19 1HG GLN 3 2HG GLN 3 16.041 9.003 -1.791
20 2HG GLN 3 1HG GLN 3 17.701 9.513 -1.481
21 1HE2 GLN 3 1HE2 GLN 3 15.527 9.472 -3.933
22 2HE2 GLN 3 2HE2 GLN 3 16.565 9.250 -5.257
23 H LYS 4 H LYS 4 18.030 8.313 1.082
24 HA LYS 4 HA LYS 4 18.622 5.960 2.741
25 1HB LYS 4 2HB LYS 4 20.786 7.241 2.619
26 2HB LYS 4 1HB LYS 4 19.957 8.609 3.362
27 1HG LYS 4 2HG LYS 4 19.311 7.046 5.257
28 2HG LYS 4 1HG LYS 4 20.420 5.867 4.556
29 1HD LYS 4 2HD LYS 4 22.255 6.987 5.282
30 2HD LYS 4 1HD LYS 4 21.577 8.557 4.849
31 1HE LYS 4 2HE LYS 4 19.988 7.681 6.976
32 2HE LYS 4 1HE LYS 4 21.628 7.226 7.438
33 1HZ LYS 4 1HZ LYS 4 20.616 9.658 7.802
34 2HZ LYS 4 2HZ LYS 4 21.331 9.867 6.275
35 3HZ LYS 4 3HZ LYS 4 22.273 9.358 7.595
36 H LYS 5 H LYS 5 16.133 6.834 2.312
37 HA LYS 5 HA LYS 5 15.376 8.851 4.312
38 1HB LYS 5 2HB LYS 5 13.154 8.638 3.443
39 2HB LYS 5 1HB LYS 5 14.233 8.559 2.051
40 1HG LYS 5 2HG LYS 5 14.172 5.991 2.413
41 2HG LYS 5 1HG LYS 5 12.749 6.311 3.406
42 1HD LYS 5 2HD LYS 5 11.909 5.892 1.214
43 2HD LYS 5 1HD LYS 5 11.842 7.643 1.417
44 1HE LYS 5 2HE LYS 5 14.126 7.747 0.308
45 2HE LYS 5 1HE LYS 5 13.917 6.043 -0.097
46 1HZ LYS 5 1HZ LYS 5 11.591 7.053 -0.914
47 2HZ LYS 5 2HZ LYS 5 12.948 6.885 -1.921
48 3HZ LYS 5 3HZ LYS 5 12.604 8.383 -1.196
49 HA PRO 6 HA PRO 6 14.801 5.765 7.441
50 1HB PRO 6 2HB PRO 6 13.636 7.429 9.293
51 2HB PRO 6 1HB PRO 6 15.377 7.402 8.960
52 1HG PRO 6 2HG PRO 6 13.346 9.432 8.160
53 2HG PRO 6 1HG PRO 6 15.089 9.625 8.407
54 1HD PRO 6 2HD PRO 6 13.777 9.402 5.904
55 2HD PRO 6 1HD PRO 6 15.527 9.285 6.184
56 H ARG 7 H ARG 7 13.126 4.348 7.860
57 HA ARG 7 HA ARG 7 10.997 3.391 7.470
58 1HB ARG 7 2HB ARG 7 9.215 4.919 8.683
59 2HB ARG 7 1HB ARG 7 10.465 4.099 9.618
60 1HG ARG 7 2HG ARG 7 11.865 6.156 9.491
61 2HG ARG 7 1HG ARG 7 10.549 6.970 8.645
62 1HD ARG 7 2HD ARG 7 9.749 5.636 11.152
63 2HD ARG 7 1HD ARG 7 10.867 6.984 11.363
64 HE ARG 7 HE ARG 7 8.249 7.239 9.934
65 1HH1 ARG 7 1HH1 ARG 7 8.979 8.019 12.897
66 2HH1 ARG 7 2HH1 ARG 7 9.073 9.739 12.719
67 1HH2 ARG 7 1HH2 ARG 7 9.163 9.641 9.254
68 2HH2 ARG 7 2HH2 ARG 7 9.178 10.658 10.656
69 H VAL 8 H VAL 8 10.767 3.572 5.189
70 HA VAL 8 HA VAL 8 9.891 5.986 3.886
71 HB VAL 8 HB VAL 8 9.442 3.158 2.905
72 1HG1 VAL 8 1HG1 VAL 8 10.048 5.717 1.401
73 2HG1 VAL 8 2HG1 VAL 8 8.415 5.111 1.674
74 3HG1 VAL 8 3HG1 VAL 8 9.555 4.169 0.714
75 1HG2 VAL 8 1HG2 VAL 8 11.688 2.910 3.053
76 2HG2 VAL 8 2HG2 VAL 8 11.929 4.618 3.422
77 3HG2 VAL 8 3HG2 VAL 8 11.782 4.089 1.746
78 H LEU 9 H LEU 9 7.874 6.862 3.910
79 HA LEU 9 HA LEU 9 5.661 5.287 5.084
80 1HB LEU 9 2HB LEU 9 6.120 7.670 5.778
81 2HB LEU 9 1HB LEU 9 5.644 8.173 4.156
82 HG LEU 9 HG LEU 9 3.512 6.673 4.707
83 1HD1 LEU 9 1HD1 LEU 9 3.448 7.707 7.372
84 2HD1 LEU 9 2HD1 LEU 9 4.923 6.758 7.191
85 3HD1 LEU 9 3HD1 LEU 9 3.355 6.024 6.855
86 1HD2 LEU 9 1HD2 LEU 9 2.739 8.766 4.341
87 2HD2 LEU 9 2HD2 LEU 9 4.204 9.491 5.002
88 3HD2 LEU 9 3HD2 LEU 9 2.886 9.028 6.079
89 H TRP 10 H TRP 10 6.197 7.270 2.147
90 HA TRP 10 HA TRP 10 4.775 5.307 0.517
91 1HB TRP 10 2HB TRP 10 3.478 7.849 1.411
92 2HB TRP 10 1HB TRP 10 3.208 7.325 -0.251
93 HD1 TRP 10 HD TRP 10 1.727 6.966 3.009
94 HE1 TRP 10 1HE TRP 10 0.269 4.847 3.180
95 HE3 TRP 10 3HE TRP 10 3.320 4.462 -1.147
96 HZ2 TRP 10 2HZ TRP 10 -0.165 2.412 1.743
97 HZ3 TRP 10 3HZ TRP 10 2.369 2.247 -1.721
98 HH2 TRP 10 HH TRP 10 0.630 1.219 -0.283
99 H THR 11 H THR 11 6.969 5.488 -0.429
100 HA THR 11 HA THR 11 7.290 7.966 -2.076
101 HB THR 11 HB THR 11 9.711 7.264 -2.213
102 HG1 THR 11 1HG THR 11 10.380 5.575 -1.063
103 1HG2 THR 11 1HG2 THR 11 9.793 8.825 -0.591
104 2HG2 THR 11 2HG2 THR 11 9.734 7.503 0.574
105 3HG2 THR 11 3HG2 THR 11 8.245 8.303 0.072
106 H HIS 12 H HIS 12 8.638 7.375 -4.171
107 HA HIS 12 HA HIS 12 7.022 5.736 -5.818
108 1HB HIS 12 2HB HIS 12 9.124 5.736 -7.331
109 2HB HIS 12 1HB HIS 12 8.400 7.296 -6.939
110 HD1 HIS 12 1HD HIS 12 9.999 8.986 -6.059
111 HD2 HIS 12 2HD HIS 12 11.329 5.103 -5.328
112 HE1 HIS 12 1HE HIS 12 12.266 9.202 -4.950
113 H GLU 13 H GLU 13 9.534 4.885 -3.597
114 HA GLU 13 HA GLU 13 10.101 2.288 -4.824
115 1HB GLU 13 2HB GLU 13 11.683 3.679 -3.331
116 2HB GLU 13 1HB GLU 13 10.728 3.074 -1.977
117 1HG GLU 13 2HG GLU 13 12.182 1.323 -2.034
118 2HG GLU 13 1HG GLU 13 11.177 0.767 -3.373
119 H LEU 14 H LEU 14 8.633 3.235 -1.690
120 HA LEU 14 HA LEU 14 7.588 0.669 -1.078
121 1HB LEU 14 2HB LEU 14 6.989 3.466 -0.217
122 2HB LEU 14 1HB LEU 14 5.802 2.222 0.172
123 HG LEU 14 HG LEU 14 8.742 2.209 0.911
124 1HD1 LEU 14 1HD1 LEU 14 7.514 3.635 2.390
125 2HD1 LEU 14 2HD1 LEU 14 7.701 2.100 3.238
126 3HD1 LEU 14 3HD1 LEU 14 6.165 2.502 2.470
127 1HD2 LEU 14 1HD2 LEU 14 8.530 -0.045 0.913
128 2HD2 LEU 14 2HD2 LEU 14 6.794 0.053 0.621
129 3HD2 LEU 14 3HD2 LEU 14 7.418 0.156 2.267
130 H HIS 15 H HIS 15 6.553 3.024 -3.380
131 HA HIS 15 HA HIS 15 3.797 2.059 -3.546
132 1HB HIS 15 2HB HIS 15 4.517 4.405 -4.138
133 2HB HIS 15 1HB HIS 15 5.327 3.736 -5.554
134 HD1 HIS 15 1HD HIS 15 1.851 3.873 -4.002
135 HD2 HIS 15 2HD HIS 15 3.646 3.340 -7.726
136 HE1 HIS 15 1HE HIS 15 -0.027 3.812 -5.700
137 H ASN 16 H ASN 16 6.860 1.390 -5.138
138 HA ASN 16 HA ASN 16 5.706 -0.077 -7.355
139 1HB ASN 16 2HB ASN 16 8.489 -0.080 -6.151
140 2HB ASN 16 1HB ASN 16 8.053 -0.953 -7.621
141 1HD2 ASN 16 1HD2 ASN 16 6.317 0.940 -8.837
142 2HD2 ASN 16 2HD2 ASN 16 7.209 2.329 -9.232
143 H LYS 17 H LYS 17 6.778 -0.924 -4.099
144 HA LYS 17 HA LYS 17 6.631 -3.790 -4.539
145 1HB LYS 17 2HB LYS 17 6.405 -2.346 -1.887
146 2HB LYS 17 1HB LYS 17 6.968 -3.993 -2.172
147 1HG LYS 17 2HG LYS 17 8.953 -3.206 -3.284
148 2HG LYS 17 1HG LYS 17 8.353 -1.547 -3.300
149 1HD LYS 17 2HD LYS 17 8.372 -1.552 -0.806
150 2HD LYS 17 1HD LYS 17 9.079 -3.168 -0.841
151 1HE LYS 17 2HE LYS 17 10.954 -2.209 -2.249
152 2HE LYS 17 1HE LYS 17 10.294 -0.609 -1.911
153 1HZ LYS 17 1HZ LYS 17 12.027 -1.168 -0.340
154 2HZ LYS 17 2HZ LYS 17 11.204 -2.584 0.112
155 3HZ LYS 17 3HZ LYS 17 10.534 -1.062 0.458
156 H PHE 18 H PHE 18 4.442 -1.355 -3.136
157 HA PHE 18 HA PHE 18 2.388 -3.227 -2.408
158 1HB PHE 18 2HB PHE 18 2.364 -1.045 -1.400
159 2HB PHE 18 1HB PHE 18 2.329 -0.253 -2.975
160 HD1 PHE 18 1HD PHE 18 0.273 0.445 -3.821
161 HD2 PHE 18 2HD PHE 18 0.389 -2.791 -0.999
162 HE1 PHE 18 1HE PHE 18 -2.206 0.359 -3.818
163 HE2 PHE 18 2HE PHE 18 -2.089 -2.878 -0.996
164 HZ PHE 18 HZ PHE 18 -3.387 -1.303 -2.405
165 H LEU 19 H LEU 19 3.303 -1.786 -5.442
166 HA LEU 19 HA LEU 19 0.705 -2.285 -6.703
167 1HB LEU 19 2HB LEU 19 3.414 -1.504 -7.815
168 2HB LEU 19 1HB LEU 19 1.981 -1.725 -8.819
169 HG LEU 19 HG LEU 19 1.937 0.111 -6.427
170 1HD1 LEU 19 1HD1 LEU 19 3.206 0.513 -9.086
171 2HD1 LEU 19 2HD1 LEU 19 3.569 1.277 -7.540
172 3HD1 LEU 19 3HD1 LEU 19 2.195 1.831 -8.495
173 1HD2 LEU 19 1HD2 LEU 19 -0.198 0.356 -7.106
174 2HD2 LEU 19 2HD2 LEU 19 0.088 -0.744 -8.454
175 3HD2 LEU 19 3HD2 LEU 19 0.382 0.984 -8.648
176 H ALA 20 H ALA 20 3.943 -3.791 -6.797
177 HA ALA 20 HA ALA 20 3.054 -5.906 -8.582
178 1HB ALA 20 1HB ALA 20 5.390 -6.514 -6.910
179 2HB ALA 20 2HB ALA 20 5.521 -4.968 -7.748
180 3HB ALA 20 3HB ALA 20 5.255 -6.450 -8.667
181 H ALA 21 H ALA 21 2.884 -5.348 -5.176
182 HA ALA 21 HA ALA 21 2.626 -8.175 -4.471
183 1HB ALA 21 1HB ALA 21 1.578 -6.906 -2.333
184 2HB ALA 21 2HB ALA 21 2.483 -5.567 -3.040
185 3HB ALA 21 3HB ALA 21 3.318 -7.052 -2.585
186 H VAL 22 H VAL 22 0.449 -5.439 -5.078
187 HA VAL 22 HA VAL 22 -1.961 -6.912 -4.413
188 HB VAL 22 HB VAL 22 -1.699 -4.549 -6.294
189 1HG1 VAL 22 1HG1 VAL 22 -3.923 -4.947 -6.430
190 2HG1 VAL 22 2HG1 VAL 22 -3.998 -4.293 -4.793
191 3HG1 VAL 22 3HG1 VAL 22 -3.899 -6.036 -5.043
192 1HG2 VAL 22 1HG2 VAL 22 -2.390 -4.133 -3.441
193 2HG2 VAL 22 2HG2 VAL 22 -1.431 -3.126 -4.526
194 3HG2 VAL 22 3HG2 VAL 22 -0.708 -4.547 -3.771
195 H ASP 23 H ASP 23 -0.307 -6.064 -7.433
196 HA ASP 23 HA ASP 23 -2.081 -7.392 -9.223
197 1HB ASP 23 2HB ASP 23 -0.078 -5.789 -9.676
198 2HB ASP 23 1HB ASP 23 0.894 -7.254 -9.651
199 H HIS 24 H HIS 24 0.827 -8.514 -7.519
200 HA HIS 24 HA HIS 24 0.956 -11.119 -8.649
201 1HB HIS 24 2HB HIS 24 2.724 -10.098 -7.208
202 2HB HIS 24 1HB HIS 24 1.667 -10.310 -5.813
203 HD1 HIS 24 1HD HIS 24 3.334 -12.015 -4.735
204 HD2 HIS 24 2HD HIS 24 1.827 -13.218 -8.431
205 HE1 HIS 24 1HE HIS 24 3.908 -14.470 -4.977
206 H LEU 25 H LEU 25 -1.244 -9.744 -6.335
207 HA LEU 25 HA LEU 25 -2.338 -12.470 -5.770
208 1HB LEU 25 2HB LEU 25 -2.969 -9.955 -4.225
209 2HB LEU 25 1HB LEU 25 -3.190 -11.628 -3.717
210 HG LEU 25 HG LEU 25 -0.423 -10.739 -4.412
211 1HD1 LEU 25 1HD1 LEU 25 -1.208 -10.319 -1.596
212 2HD1 LEU 25 2HD1 LEU 25 -1.880 -9.147 -2.728
213 3HD1 LEU 25 3HD1 LEU 25 -0.134 -9.365 -2.619
214 1HD2 LEU 25 1HD2 LEU 25 -1.669 -12.999 -3.283
215 2HD2 LEU 25 2HD2 LEU 25 -0.828 -12.213 -1.947
216 3HD2 LEU 25 3HD2 LEU 25 0.064 -12.692 -3.390
217 H GLY 26 H GLY 26 -2.866 -9.815 -7.704
218 1HA GLY 26 2HA GLY 26 -4.734 -9.397 -9.105
219 2HA GLY 26 1HA GLY 26 -5.632 -10.633 -8.219
220 H VAL 27 H VAL 27 -5.184 -7.295 -8.612
221 HA VAL 27 HA VAL 27 -5.749 -6.199 -6.091
222 HB VAL 27 HB VAL 27 -5.241 -4.767 -7.983
223 1HG1 VAL 27 1HG1 VAL 27 -7.795 -5.934 -9.107
224 2HG1 VAL 27 2HG1 VAL 27 -6.182 -5.968 -9.820
225 3HG1 VAL 27 3HG1 VAL 27 -7.078 -4.451 -9.737
226 1HG2 VAL 27 1HG2 VAL 27 -6.764 -3.929 -6.129
227 2HG2 VAL 27 2HG2 VAL 27 -8.124 -4.249 -7.205
228 3HG2 VAL 27 3HG2 VAL 27 -6.904 -3.058 -7.656
229 H GLU 28 H GLU 28 -7.775 -8.117 -8.118
230 HA GLU 28 HA GLU 28 -10.323 -7.197 -7.119
231 1HB GLU 28 2HB GLU 28 -9.735 -8.685 -9.207
232 2HB GLU 28 1HB GLU 28 -9.890 -10.015 -8.058
233 1HG GLU 28 2HG GLU 28 -12.079 -8.188 -7.682
234 2HG GLU 28 1HG GLU 28 -11.979 -8.630 -9.387
235 H ARG 29 H ARG 29 -8.174 -9.889 -6.170
236 HA ARG 29 HA ARG 29 -9.853 -10.185 -3.710
237 1HB ARG 29 2HB ARG 29 -8.156 -12.235 -5.162
238 2HB ARG 29 1HB ARG 29 -8.959 -12.520 -3.618
239 1HG ARG 29 2HG ARG 29 -10.422 -11.635 -6.118
240 2HG ARG 29 1HG ARG 29 -10.259 -13.324 -5.633
241 1HD ARG 29 2HD ARG 29 -11.178 -11.572 -3.462
242 2HD ARG 29 1HD ARG 29 -12.290 -11.637 -4.829
243 HE ARG 29 HE ARG 29 -11.464 -14.296 -4.166
244 1HH1 ARG 29 1HH1 ARG 29 -12.886 -11.725 -2.431
245 2HH1 ARG 29 2HH1 ARG 29 -14.197 -12.672 -1.810
246 1HH2 ARG 29 1HH2 ARG 29 -13.359 -15.506 -3.621
247 2HH2 ARG 29 2HH2 ARG 29 -14.464 -14.811 -2.483
248 H ALA 30 H ALA 30 -7.252 -8.578 -4.496
249 HA ALA 30 HA ALA 30 -5.269 -9.681 -2.654
250 1HB ALA 30 1HB ALA 30 -5.320 -7.706 -4.722
251 2HB ALA 30 2HB ALA 30 -3.918 -8.376 -3.889
252 3HB ALA 30 3HB ALA 30 -4.723 -6.943 -3.249
253 H VAL 31 H VAL 31 -5.388 -9.414 -0.481
254 HA VAL 31 HA VAL 31 -7.028 -7.166 0.581
255 HB VAL 31 HB VAL 31 -7.038 -8.405 2.689
256 1HG1 VAL 31 1HG1 VAL 31 -8.602 -9.041 0.784
257 2HG1 VAL 31 2HG1 VAL 31 -8.339 -10.296 1.995
258 3HG1 VAL 31 3HG1 VAL 31 -7.505 -10.380 0.443
259 1HG2 VAL 31 1HG2 VAL 31 -4.620 -9.388 1.880
260 2HG2 VAL 31 2HG2 VAL 31 -5.665 -10.773 1.564
261 3HG2 VAL 31 3HG2 VAL 31 -5.577 -10.086 3.186
262 HA PRO 32 HA PRO 32 -3.430 -5.082 1.983
263 1HB PRO 32 2HB PRO 32 -4.474 -3.790 4.178
264 2HB PRO 32 1HB PRO 32 -4.806 -3.304 2.506
265 1HG PRO 32 2HG PRO 32 -6.582 -4.730 4.434
266 2HG PRO 32 1HG PRO 32 -7.015 -3.692 3.065
267 1HD PRO 32 2HD PRO 32 -7.092 -6.520 3.084
268 2HD PRO 32 1HD PRO 32 -7.186 -5.484 1.643
269 H LYS 33 H LYS 33 -5.153 -7.214 4.154
270 HA LYS 33 HA LYS 33 -3.267 -7.163 6.326
271 1HB LYS 33 2HB LYS 33 -5.434 -8.048 6.781
272 2HB LYS 33 1HB LYS 33 -5.355 -9.147 5.406
273 1HG LYS 33 2HG LYS 33 -3.206 -9.440 7.437
274 2HG LYS 33 1HG LYS 33 -4.824 -9.941 7.932
275 1HD LYS 33 2HD LYS 33 -4.820 -11.119 5.552
276 2HD LYS 33 1HD LYS 33 -3.072 -11.056 5.775
277 1HE LYS 33 2HE LYS 33 -4.440 -11.933 8.197
278 2HE LYS 33 1HE LYS 33 -4.791 -12.986 6.826
279 1HZ LYS 33 1HZ LYS 33 -2.817 -13.898 7.188
280 2HZ LYS 33 2HZ LYS 33 -2.379 -12.700 8.310
281 3HZ LYS 33 3HZ LYS 33 -2.107 -12.454 6.651
282 H LYS 34 H LYS 34 -3.752 -9.494 3.651
283 HA LYS 34 HA LYS 34 -1.364 -10.984 4.277
284 1HB LYS 34 2HB LYS 34 -3.265 -10.857 1.966
285 2HB LYS 34 1HB LYS 34 -1.698 -11.626 1.715
286 1HG LYS 34 2HG LYS 34 -3.646 -12.336 3.929
287 2HG LYS 34 1HG LYS 34 -3.422 -13.260 2.443
288 1HD LYS 34 2HD LYS 34 -0.946 -13.407 3.080
289 2HD LYS 34 1HD LYS 34 -1.428 -12.815 4.670
290 1HE LYS 34 2HE LYS 34 -1.405 -15.227 4.771
291 2HE LYS 34 1HE LYS 34 -3.091 -14.711 4.781
292 1HZ LYS 34 1HZ LYS 34 -1.864 -15.202 2.181
293 2HZ LYS 34 2HZ LYS 34 -3.449 -15.509 2.711
294 3HZ LYS 34 3HZ LYS 34 -2.187 -16.562 3.142
295 H ILE 35 H ILE 35 -2.059 -8.333 1.984
296 HA ILE 35 HA ILE 35 0.570 -8.329 0.838
297 HB ILE 35 HB ILE 35 -1.511 -6.148 1.094
298 1HG1 ILE 35 2HG1 ILE 35 -0.767 -8.251 -0.902
299 2HG1 ILE 35 1HG1 ILE 35 -2.360 -7.646 -0.460
300 1HG2 ILE 35 1HG2 ILE 35 0.807 -5.214 0.970
301 2HG2 ILE 35 2HG2 ILE 35 -0.145 -4.847 -0.469
302 3HG2 ILE 35 3HG2 ILE 35 1.065 -6.129 -0.516
303 1HD1 ILE 35 1HD1 ILE 35 -1.338 -5.412 -1.586
304 2HD1 ILE 35 2HD1 ILE 35 -2.207 -6.636 -2.513
305 3HD1 ILE 35 3HD1 ILE 35 -0.443 -6.631 -2.494
306 H LEU 36 H LEU 36 -0.721 -7.153 3.849
307 HA LEU 36 HA LEU 36 1.196 -5.188 4.527
308 1HB LEU 36 2HB LEU 36 -0.675 -5.637 6.020
309 2HB LEU 36 1HB LEU 36 -0.123 -7.293 6.275
310 HG LEU 36 HG LEU 36 1.934 -6.465 7.332
311 1HD1 LEU 36 1HD1 LEU 36 1.114 -4.020 6.059
312 2HD1 LEU 36 2HD1 LEU 36 2.636 -4.376 6.876
313 3HD1 LEU 36 3HD1 LEU 36 1.269 -3.741 7.794
314 1HD2 LEU 36 1HD2 LEU 36 0.157 -6.858 8.876
315 2HD2 LEU 36 2HD2 LEU 36 -0.695 -5.395 8.382
316 3HD2 LEU 36 3HD2 LEU 36 0.802 -5.275 9.307
317 H ASP 37 H ASP 37 1.388 -8.716 4.511
318 HA ASP 37 HA ASP 37 4.018 -8.822 5.744
319 1HB ASP 37 2HB ASP 37 2.318 -10.774 4.194
320 2HB ASP 37 1HB ASP 37 3.988 -11.166 4.603
321 H LEU 38 H LEU 38 2.761 -8.566 2.464
322 HA LEU 38 HA LEU 38 5.123 -9.113 0.997
323 1HB LEU 38 2HB LEU 38 2.705 -7.391 0.511
324 2HB LEU 38 1HB LEU 38 4.062 -7.320 -0.612
325 HG LEU 38 HG LEU 38 3.071 -10.020 0.187
326 1HD1 LEU 38 1HD1 LEU 38 1.004 -9.763 -0.671
327 2HD1 LEU 38 2HD1 LEU 38 1.684 -9.132 -2.171
328 3HD1 LEU 38 3HD1 LEU 38 1.316 -8.035 -0.841
329 1HD2 LEU 38 1HD2 LEU 38 4.918 -10.033 -1.293
330 2HD2 LEU 38 2HD2 LEU 38 4.278 -8.688 -2.238
331 3HD2 LEU 38 3HD2 LEU 38 3.530 -10.281 -2.353
332 H MET 39 H MET 39 4.012 -6.153 2.607
333 HA MET 39 HA MET 39 6.217 -4.532 1.634
334 1HB MET 39 2HB MET 39 4.207 -4.186 3.869
335 2HB MET 39 1HB MET 39 5.465 -2.995 3.536
336 1HG MET 39 2HG MET 39 3.816 -3.944 1.235
337 2HG MET 39 1HG MET 39 3.061 -2.838 2.383
338 1HE MET 39 1HE MET 39 2.722 -1.001 1.895
339 2HE MET 39 2HE MET 39 3.141 -0.445 0.276
340 3HE MET 39 3HE MET 39 3.871 0.328 1.681
341 H ASN 40 H ASN 40 5.500 -6.027 4.811
342 HA ASN 40 HA ASN 40 6.953 -6.609 6.561
343 1HB ASN 40 2HB ASN 40 7.883 -7.934 4.529
344 2HB ASN 40 1HB ASN 40 9.158 -6.715 4.505
345 1HD2 ASN 40 1HD2 ASN 40 10.961 -7.584 5.539
346 2HD2 ASN 40 2HD2 ASN 40 10.920 -8.462 6.991
347 H VAL 41 H VAL 41 6.704 -3.754 5.640
348 HA VAL 41 HA VAL 41 9.378 -2.665 6.312
349 HB VAL 41 HB VAL 41 6.831 -1.167 5.639
350 1HG1 VAL 41 1HG1 VAL 41 8.223 0.471 6.457
351 2HG1 VAL 41 2HG1 VAL 41 8.853 0.399 4.811
352 3HG1 VAL 41 3HG1 VAL 41 9.685 -0.453 6.111
353 1HG2 VAL 41 1HG2 VAL 41 8.359 -2.867 3.972
354 2HG2 VAL 41 2HG2 VAL 41 8.814 -1.220 3.537
355 3HG2 VAL 41 3HG2 VAL 41 7.123 -1.714 3.471
356 H ASP 42 H ASP 42 9.626 -1.157 8.092
357 HA ASP 42 HA ASP 42 8.017 -1.902 10.420
358 1HB ASP 42 2HB ASP 42 9.538 -0.244 11.590
359 2HB ASP 42 1HB ASP 42 10.375 -1.575 10.789
360 H LYS 43 H LYS 43 6.631 -0.496 11.577
361 HA LYS 43 HA LYS 43 5.273 1.401 11.939
362 1HB LYS 43 2HB LYS 43 7.478 2.531 10.847
363 2HB LYS 43 1HB LYS 43 6.304 2.875 9.576
364 1HG LYS 43 2HG LYS 43 5.358 4.495 10.817
365 2HG LYS 43 1HG LYS 43 5.122 3.377 12.161
366 1HD LYS 43 2HD LYS 43 7.921 4.188 11.820
367 2HD LYS 43 1HD LYS 43 6.845 5.540 12.173
368 1HE LYS 43 2HE LYS 43 5.896 4.136 14.071
369 2HE LYS 43 1HE LYS 43 7.233 3.018 13.800
370 1HZ LYS 43 1HZ LYS 43 8.297 4.350 15.231
371 2HZ LYS 43 2HZ LYS 43 7.239 5.657 14.986
372 3HZ LYS 43 3HZ LYS 43 8.506 5.369 13.892
373 H LEU 44 H LEU 44 5.389 -0.568 9.268
374 HA LEU 44 HA LEU 44 3.017 0.697 7.982
375 1HB LEU 44 2HB LEU 44 5.120 -1.233 7.084
376 2HB LEU 44 1HB LEU 44 3.525 -1.336 6.339
377 HG LEU 44 HG LEU 44 5.286 1.129 6.472
378 1HD1 LEU 44 1HD1 LEU 44 6.072 0.460 4.473
379 2HD1 LEU 44 2HD1 LEU 44 4.429 0.341 3.843
380 3HD1 LEU 44 3HD1 LEU 44 5.168 -1.045 4.645
381 1HD2 LEU 44 1HD2 LEU 44 3.345 2.272 6.282
382 2HD2 LEU 44 2HD2 LEU 44 2.417 0.784 6.092
383 3HD2 LEU 44 3HD2 LEU 44 3.169 1.539 4.687
384 H THR 45 H THR 45 1.067 -0.063 8.634
385 HA THR 45 HA THR 45 0.934 -2.872 9.656
386 HB THR 45 HB THR 45 -1.300 -1.872 10.672
387 HG1 THR 45 1HG THR 45 -0.421 0.406 11.286
388 1HG2 THR 45 1HG2 THR 45 1.430 -2.122 11.581
389 2HG2 THR 45 2HG2 THR 45 -0.065 -2.369 12.483
390 3HG2 THR 45 3HG2 THR 45 0.648 -0.759 12.381
391 H ARG 46 H ARG 46 -1.566 -3.602 9.446
392 HA ARG 46 HA ARG 46 -2.070 -3.687 6.576
393 1HB ARG 46 2HB ARG 46 -4.042 -5.080 7.245
394 2HB ARG 46 1HB ARG 46 -2.521 -5.670 7.917
395 1HG ARG 46 2HG ARG 46 -3.022 -4.889 10.072
396 2HG ARG 46 1HG ARG 46 -4.221 -3.739 9.479
397 1HD ARG 46 2HD ARG 46 -5.501 -5.855 8.659
398 2HD ARG 46 1HD ARG 46 -4.468 -6.724 9.793
399 HE ARG 46 HE ARG 46 -6.758 -5.265 10.552
400 1HH1 ARG 46 1HH2 ARG 46 -4.144 -6.723 11.907
401 2HH1 ARG 46 2HH2 ARG 46 -4.008 -5.678 13.281
402 1HH2 ARG 46 1HH1 ARG 46 -6.272 -3.348 12.068
403 2HH2 ARG 46 2HH1 ARG 46 -5.212 -3.767 13.372
404 H GLU 47 H GLU 47 -3.293 -1.875 9.305
405 HA GLU 47 HA GLU 47 -5.726 -0.972 8.012
406 1HB GLU 47 2HB GLU 47 -5.474 -0.915 10.462
407 2HB GLU 47 1HB GLU 47 -4.152 0.243 10.305
408 1HG GLU 47 2HG GLU 47 -5.626 1.905 9.358
409 2HG GLU 47 1HG GLU 47 -6.948 0.741 9.249
410 H ASN 48 H ASN 48 -2.387 -0.030 7.882
411 HA ASN 48 HA ASN 48 -2.878 2.657 6.873
412 1HB ASN 48 2HB ASN 48 -0.492 0.877 7.199
413 2HB ASN 48 1HB ASN 48 -0.370 2.249 6.096
414 1HD2 ASN 48 1HD2 ASN 48 -0.305 4.375 7.008
415 2HD2 ASN 48 2HD2 ASN 48 -0.280 4.660 8.681
416 H VAL 49 H VAL 49 -2.277 -0.528 5.445
417 HA VAL 49 HA VAL 49 -2.211 0.573 2.724
418 HB VAL 49 HB VAL 49 -2.413 -2.318 3.623
419 1HG1 VAL 49 1HG1 VAL 49 -1.075 -1.498 1.101
420 2HG1 VAL 49 2HG1 VAL 49 -2.830 -1.329 1.136
421 3HG1 VAL 49 3HG1 VAL 49 -2.090 -2.902 1.432
422 1HG2 VAL 49 1HG2 VAL 49 0.101 -2.239 3.084
423 2HG2 VAL 49 2HG2 VAL 49 -0.406 -1.473 4.589
424 3HG2 VAL 49 3HG2 VAL 49 -0.050 -0.484 3.173
425 H ALA 50 H ALA 50 -4.541 -0.782 4.935
426 HA ALA 50 HA ALA 50 -6.537 -1.356 2.894
427 1HB ALA 50 1HB ALA 50 -6.759 -2.613 4.900
428 2HB ALA 50 2HB ALA 50 -8.073 -1.439 4.958
429 3HB ALA 50 3HB ALA 50 -6.612 -1.174 5.909
430 H SER 51 H SER 51 -5.491 1.442 4.625
431 HA SER 51 HA SER 51 -7.986 2.927 4.331
432 1HB SER 51 2HB SER 51 -5.183 3.609 5.180
433 2HB SER 51 1HB SER 51 -6.326 4.898 4.816
434 HG SER 51 HG SER 51 -6.161 3.899 7.071
435 H HIS 52 H HIS 52 -4.821 2.917 2.673
436 HA HIS 52 HA HIS 52 -5.498 4.937 0.759
437 1HB HIS 52 2HB HIS 52 -3.179 4.301 1.075
438 2HB HIS 52 1HB HIS 52 -3.530 2.635 0.615
439 HD1 HIS 52 1HD HIS 52 -4.772 5.751 -1.163
440 HD2 HIS 52 2HD HIS 52 -2.202 2.539 -1.841
441 HE1 HIS 52 1HE HIS 52 -4.069 5.896 -3.591
442 H LEU 53 H LEU 53 -6.133 1.488 0.914
443 HA LEU 53 HA LEU 53 -6.935 1.205 -1.854
444 1HB LEU 53 2HB LEU 53 -6.269 -0.723 -0.435
445 2HB LEU 53 1HB LEU 53 -7.705 -0.469 0.557
446 HG LEU 53 HG LEU 53 -8.913 -0.574 -1.822
447 1HD1 LEU 53 1HD1 LEU 53 -7.201 -2.753 -2.569
448 2HD1 LEU 53 2HD1 LEU 53 -6.222 -1.294 -2.420
449 3HD1 LEU 53 3HD1 LEU 53 -7.613 -1.314 -3.503
450 1HD2 LEU 53 1HD2 LEU 53 -9.776 -2.457 -0.916
451 2HD2 LEU 53 2HD2 LEU 53 -8.578 -2.285 0.367
452 3HD2 LEU 53 3HD2 LEU 53 -8.230 -3.297 -1.034
453 H GLN 54 H GLN 54 -8.758 1.603 1.198
454 HA GLN 54 HA GLN 54 -11.330 1.727 -0.100
455 1HB GLN 54 2HB GLN 54 -10.362 2.661 2.614
456 2HB GLN 54 1HB GLN 54 -12.047 2.773 2.102
457 1HG GLN 54 2HG GLN 54 -12.084 0.332 1.706
458 2HG GLN 54 1HG GLN 54 -10.408 0.225 2.246
459 1HE2 GLN 54 1HE2 GLN 54 -12.942 2.302 3.690
460 2HE2 GLN 54 2HE2 GLN 54 -12.938 1.528 5.200
461 H LYS 55 H LYS 55 -8.757 3.993 0.284
462 HA LYS 55 HA LYS 55 -10.433 6.372 -0.019
463 1HB LYS 55 2HB LYS 55 -7.489 5.812 0.098
464 2HB LYS 55 1HB LYS 55 -8.033 7.347 -0.582
465 1HG LYS 55 2HG LYS 55 -9.073 8.010 1.430
466 2HG LYS 55 1HG LYS 55 -9.086 6.365 2.067
467 1HD LYS 55 2HD LYS 55 -7.293 7.265 3.241
468 2HD LYS 55 1HD LYS 55 -6.462 6.588 1.840
469 1HE LYS 55 2HE LYS 55 -6.050 8.656 0.908
470 2HE LYS 55 1HE LYS 55 -7.500 9.377 1.608
471 1HZ LYS 55 1HZ LYS 55 -5.281 8.507 3.341
472 2HZ LYS 55 2HZ LYS 55 -6.479 9.675 3.640
473 3HZ LYS 55 3HZ LYS 55 -5.212 10.010 2.558
474 H PHE 56 H PHE 56 -8.723 4.148 -2.118
475 HA PHE 56 HA PHE 56 -8.751 5.851 -4.459
476 1HB PHE 56 2HB PHE 56 -7.278 3.809 -4.131
477 2HB PHE 56 1HB PHE 56 -8.713 2.820 -4.407
478 HD1 PHE 56 1HD PHE 56 -8.721 1.919 -6.555
479 HD2 PHE 56 2HD PHE 56 -7.363 5.953 -5.979
480 HE1 PHE 56 1HE PHE 56 -8.424 2.170 -9.005
481 HE2 PHE 56 2HE PHE 56 -7.066 6.203 -8.429
482 HZ PHE 56 HZ PHE 56 -7.597 4.311 -9.941
483 H ARG 57 H ARG 57 -10.888 3.210 -3.319
484 HA ARG 57 HA ARG 57 -12.691 3.240 -5.507
485 1HB ARG 57 2HB ARG 57 -13.105 2.671 -2.560
486 2HB ARG 57 1HB ARG 57 -14.408 2.514 -3.738
487 1HG ARG 57 2HG ARG 57 -13.535 0.615 -4.638
488 2HG ARG 57 1HG ARG 57 -11.877 1.208 -4.521
489 1HD ARG 57 2HD ARG 57 -11.592 0.404 -2.375
490 2HD ARG 57 1HD ARG 57 -13.304 0.556 -1.978
491 HE ARG 57 HE ARG 57 -13.279 -1.765 -2.440
492 1HH1 ARG 57 1HH1 ARG 57 -10.532 -2.082 -3.446
493 2HH1 ARG 57 2HH1 ARG 57 -10.768 -2.483 -5.114
494 1HH2 ARG 57 1HH2 ARG 57 -14.048 -1.362 -5.194
495 2HH2 ARG 57 2HH2 ARG 57 -12.758 -2.075 -6.104
496 H VAL 58 H VAL 58 -12.527 5.263 -2.598
497 HA VAL 58 HA VAL 58 -14.923 6.764 -3.122
498 HB VAL 58 HB VAL 58 -12.400 7.397 -1.567
499 1HG1 VAL 58 1HG1 VAL 58 -13.147 9.551 -2.148
500 2HG1 VAL 58 2HG1 VAL 58 -13.956 9.256 -0.609
501 3HG1 VAL 58 3HG1 VAL 58 -14.844 9.070 -2.121
502 1HG2 VAL 58 1HG2 VAL 58 -14.335 5.676 -0.917
503 2HG2 VAL 58 2HG2 VAL 58 -15.143 7.155 -0.399
504 3HG2 VAL 58 3HG2 VAL 58 -13.586 6.710 0.299
505 H ALA 59 H ALA 59 -11.538 7.126 -4.077
506 HA ALA 59 HA ALA 59 -11.958 9.640 -5.471
507 1HB ALA 59 1HB ALA 59 -9.726 9.100 -4.686
508 2HB ALA 59 2HB ALA 59 -9.694 9.136 -6.449
509 3HB ALA 59 3HB ALA 59 -9.727 7.591 -5.599
510 H LEU 60 H LEU 60 -12.719 6.403 -6.117
511 HA LEU 60 HA LEU 60 -12.573 6.678 -9.053
512 1HB LEU 60 2HB LEU 60 -13.074 4.466 -7.109
513 2HB LEU 60 1HB LEU 60 -13.779 4.309 -8.716
514 HG LEU 60 HG LEU 60 -10.900 5.115 -8.436
515 1HD1 LEU 60 1HD1 LEU 60 -12.085 2.363 -8.080
516 2HD1 LEU 60 2HD1 LEU 60 -10.853 3.163 -7.105
517 3HD1 LEU 60 3HD1 LEU 60 -10.456 2.576 -8.720
518 1HD2 LEU 60 1HD2 LEU 60 -12.747 4.046 -10.508
519 2HD2 LEU 60 2HD2 LEU 60 -11.089 3.445 -10.559
520 3HD2 LEU 60 3HD2 LEU 60 -11.404 5.177 -10.675
521 H LYS 61 H LYS 61 -14.904 6.836 -6.449
522 HA LYS 61 HA LYS 61 -17.293 6.461 -7.956
523 1HB LYS 61 2HB LYS 61 -16.745 8.136 -5.492
524 2HB LYS 61 1HB LYS 61 -18.360 7.836 -6.134
525 1HG LYS 61 2HG LYS 61 -17.160 5.306 -6.022
526 2HG LYS 61 1HG LYS 61 -16.679 6.099 -4.521
527 1HD LYS 61 2HD LYS 61 -19.315 6.816 -4.678
528 2HD LYS 61 1HD LYS 61 -19.351 5.208 -5.404
529 1HE LYS 61 2HE LYS 61 -19.017 4.210 -3.409
530 2HE LYS 61 1HE LYS 61 -17.658 5.271 -3.036
531 1HZ LYS 61 1HZ LYS 61 -20.522 5.661 -2.478
532 2HZ LYS 61 2HZ LYS 61 -19.498 7.008 -2.629
533 3HZ LYS 61 3HZ LYS 61 -19.195 5.837 -1.437
534 H LYS 62 H LYS 62 -16.494 9.651 -6.647
535 HA LYS 62 HA LYS 62 -17.605 10.887 -9.080
536 1HB LYS 62 2HB LYS 62 -16.723 11.911 -6.387
537 2HB LYS 62 1HB LYS 62 -17.008 13.029 -7.721
538 1HG LYS 62 2HG LYS 62 -19.285 11.927 -8.003
539 2HG LYS 62 1HG LYS 62 -18.984 11.110 -6.468
540 1HD LYS 62 2HD LYS 62 -18.351 13.710 -5.847
541 2HD LYS 62 1HD LYS 62 -19.678 13.926 -6.990
542 1HE LYS 62 2HE LYS 62 -21.114 13.432 -5.330
543 2HE LYS 62 1HE LYS 62 -20.452 11.797 -5.305
544 1HZ LYS 62 1HZ LYS 62 -20.295 13.644 -3.293
545 2HZ LYS 62 2HZ LYS 62 -18.743 13.660 -3.985
546 3HZ LYS 62 3HZ LYS 62 -19.404 12.205 -3.407
547 H VAL 63 H VAL 63 -16.147 10.830 -10.763
548 HA VAL 63 HA VAL 63 -13.464 12.037 -10.232
549 HB VAL 63 HB VAL 63 -12.823 10.473 -12.282
550 1HG1 VAL 63 1HG1 VAL 63 -11.506 9.935 -10.513
551 2HG1 VAL 63 2HG1 VAL 63 -12.647 8.612 -10.264
552 3HG1 VAL 63 3HG1 VAL 63 -12.828 10.115 -9.359
553 1HG2 VAL 63 1HG2 VAL 63 -15.123 9.018 -10.936
554 2HG2 VAL 63 2HG2 VAL 63 -14.004 8.290 -12.089
555 3HG2 VAL 63 3HG2 VAL 63 -15.088 9.582 -12.606
556 H SER 64 H SER 64 -13.676 14.026 -11.179
557 HA SER 64 HA SER 64 -14.816 14.099 -13.946
558 1HB SER 64 2HB SER 64 -15.120 16.629 -13.279
559 2HB SER 64 1HB SER 64 -16.295 15.434 -12.736
560 HG SER 64 HG SER 64 -14.607 16.979 -11.296
Start of MODEL 2
1 1H THR 1 1HT THR 1 22.794 16.710 3.495
2 2H THR 1 2HT THR 1 24.030 17.672 2.835
3 3H THR 1 3HT THR 1 23.908 16.030 2.413
4 HA THR 1 HA THR 1 22.757 18.226 1.133
5 HB THR 1 HB THR 1 21.777 16.242 -0.254
6 HG1 THR 1 1HG THR 1 22.332 14.932 1.819
7 1HG2 THR 1 1HG2 THR 1 24.766 16.450 0.199
8 2HG2 THR 1 2HG2 THR 1 23.821 17.537 -0.819
9 3HG2 THR 1 3HG2 THR 1 23.973 15.834 -1.249
10 H ALA 2 H ALA 2 21.523 18.104 3.712
11 HA ALA 2 HA ALA 2 19.369 18.350 4.616
12 1HB ALA 2 1HB ALA 2 18.271 17.865 1.845
13 2HB ALA 2 2HB ALA 2 19.008 19.406 2.287
14 3HB ALA 2 3HB ALA 2 17.576 18.835 3.143
15 H GLN 3 H GLN 3 17.093 17.042 4.481
16 HA GLN 3 HA GLN 3 17.840 14.260 4.993
17 1HB GLN 3 2HB GLN 3 15.967 15.858 6.093
18 2HB GLN 3 1HB GLN 3 14.973 15.055 4.877
19 1HG GLN 3 2HG GLN 3 14.780 13.389 6.403
20 2HG GLN 3 1HG GLN 3 16.421 12.956 5.920
21 1HE2 GLN 3 1HE2 GLN 3 14.539 14.699 8.393
22 2HE2 GLN 3 2HE2 GLN 3 15.792 14.767 9.537
23 H LYS 4 H LYS 4 16.958 12.432 3.848
24 HA LYS 4 HA LYS 4 15.985 13.101 1.098
25 1HB LYS 4 2HB LYS 4 18.134 11.300 2.045
26 2HB LYS 4 1HB LYS 4 17.074 10.617 0.811
27 1HG LYS 4 2HG LYS 4 17.806 13.374 0.204
28 2HG LYS 4 1HG LYS 4 19.224 12.336 0.357
29 1HD LYS 4 2HD LYS 4 18.476 10.866 -1.342
30 2HD LYS 4 1HD LYS 4 16.828 11.492 -1.273
31 1HE LYS 4 2HE LYS 4 17.726 13.714 -2.065
32 2HE LYS 4 1HE LYS 4 19.282 12.924 -2.323
33 1HZ LYS 4 1HZ LYS 4 18.307 12.702 -4.368
34 2HZ LYS 4 2HZ LYS 4 16.738 12.531 -3.739
35 3HZ LYS 4 3HZ LYS 4 17.840 11.241 -3.645
36 H LYS 5 H LYS 5 13.820 12.935 2.192
37 HA LYS 5 HA LYS 5 11.839 11.734 2.570
38 1HB LYS 5 2HB LYS 5 12.157 10.694 0.447
39 2HB LYS 5 1HB LYS 5 13.488 9.709 1.046
40 1HG LYS 5 2HG LYS 5 11.546 8.287 0.891
41 2HG LYS 5 1HG LYS 5 11.855 8.581 2.601
42 1HD LYS 5 2HD LYS 5 9.419 8.803 1.798
43 2HD LYS 5 1HD LYS 5 10.061 10.121 2.775
44 1HE LYS 5 2HE LYS 5 10.441 10.342 -0.169
45 2HE LYS 5 1HE LYS 5 8.793 10.531 0.428
46 1HZ LYS 5 1HZ LYS 5 10.032 12.049 2.166
47 2HZ LYS 5 2HZ LYS 5 9.521 12.650 0.662
48 3HZ LYS 5 3HZ LYS 5 11.143 12.203 0.895
49 HA PRO 6 HA PRO 6 13.432 9.796 6.354
50 1HB PRO 6 2HB PRO 6 11.478 10.878 7.954
51 2HB PRO 6 1HB PRO 6 12.967 11.735 7.521
52 1HG PRO 6 2HG PRO 6 10.197 12.169 6.517
53 2HG PRO 6 1HG PRO 6 11.550 13.308 6.601
54 1HD PRO 6 2HD PRO 6 10.651 11.938 4.279
55 2HD PRO 6 1HD PRO 6 12.161 12.860 4.440
56 H ARG 7 H ARG 7 12.839 7.657 6.588
57 HA ARG 7 HA ARG 7 11.475 5.728 6.484
58 1HB ARG 7 2HB ARG 7 10.078 7.712 8.252
59 2HB ARG 7 1HB ARG 7 9.269 6.193 7.868
60 1HG ARG 7 2HG ARG 7 10.679 4.977 9.164
61 2HG ARG 7 1HG ARG 7 12.096 5.873 8.616
62 1HD ARG 7 2HD ARG 7 11.907 7.465 10.277
63 2HD ARG 7 1HD ARG 7 10.155 7.296 10.384
64 HE ARG 7 HE ARG 7 11.081 4.872 11.324
65 1HH1 ARG 7 1HH1 ARG 7 11.158 8.192 12.163
66 2HH1 ARG 7 2HH1 ARG 7 11.788 7.923 13.754
67 1HH2 ARG 7 1HH2 ARG 7 12.146 4.501 13.320
68 2HH2 ARG 7 2HH2 ARG 7 12.347 5.833 14.409
69 H VAL 8 H VAL 8 11.042 5.776 4.197
70 HA VAL 8 HA VAL 8 9.137 7.331 2.864
71 HB VAL 8 HB VAL 8 9.755 4.408 2.369
72 1HG1 VAL 8 1HG1 VAL 8 7.704 5.647 1.268
73 2HG1 VAL 8 2HG1 VAL 8 8.759 4.639 0.278
74 3HG1 VAL 8 3HG1 VAL 8 8.953 6.392 0.272
75 1HG2 VAL 8 1HG2 VAL 8 11.469 6.612 2.285
76 2HG2 VAL 8 2HG2 VAL 8 10.982 6.375 0.606
77 3HG2 VAL 8 3HG2 VAL 8 11.736 5.055 1.500
78 H LEU 9 H LEU 9 7.020 7.602 3.329
79 HA LEU 9 HA LEU 9 5.557 5.468 4.769
80 1HB LEU 9 2HB LEU 9 5.369 7.888 5.454
81 2HB LEU 9 1HB LEU 9 4.571 8.207 3.914
82 HG LEU 9 HG LEU 9 3.037 6.178 4.667
83 1HD1 LEU 9 1HD1 LEU 9 2.743 6.043 7.060
84 2HD1 LEU 9 2HD1 LEU 9 3.881 7.363 7.326
85 3HD1 LEU 9 3HD1 LEU 9 4.459 5.809 6.724
86 1HD2 LEU 9 1HD2 LEU 9 1.431 7.769 5.104
87 2HD2 LEU 9 2HD2 LEU 9 2.676 8.837 4.456
88 3HD2 LEU 9 3HD2 LEU 9 2.476 8.673 6.201
89 H TRP 10 H TRP 10 5.524 7.212 1.688
90 HA TRP 10 HA TRP 10 4.331 4.976 0.299
91 1HB TRP 10 2HB TRP 10 2.593 7.274 1.152
92 2HB TRP 10 1HB TRP 10 2.293 6.502 -0.405
93 HD1 TRP 10 HD TRP 10 0.916 6.318 2.801
94 HE1 TRP 10 1HE TRP 10 0.097 3.959 3.440
95 HE3 TRP 10 3HE TRP 10 3.388 3.547 -0.704
96 HZ2 TRP 10 2HZ TRP 10 0.446 1.253 2.579
97 HZ3 TRP 10 3HZ TRP 10 3.127 1.083 -0.772
98 HH2 TRP 10 HH TRP 10 1.660 -0.067 0.864
99 H THR 11 H THR 11 6.415 5.654 -0.765
100 HA THR 11 HA THR 11 6.018 8.024 -2.549
101 HB THR 11 HB THR 11 8.440 8.119 -2.765
102 HG1 THR 11 1HG THR 11 8.210 5.625 -1.559
103 1HG2 THR 11 1HG2 THR 11 7.618 9.301 -0.853
104 2HG2 THR 11 2HG2 THR 11 9.040 8.412 -0.310
105 3HG2 THR 11 3HG2 THR 11 7.427 7.809 0.068
106 H HIS 12 H HIS 12 7.350 7.650 -4.708
107 HA HIS 12 HA HIS 12 6.053 5.601 -6.175
108 1HB HIS 12 2HB HIS 12 8.587 7.159 -6.722
109 2HB HIS 12 1HB HIS 12 7.883 6.041 -7.890
110 HD1 HIS 12 1HD HIS 12 7.793 9.502 -6.975
111 HD2 HIS 12 2HD HIS 12 4.940 6.776 -8.320
112 HE1 HIS 12 1HE HIS 12 5.854 10.872 -7.857
113 H GLU 13 H GLU 13 8.839 5.462 -4.129
114 HA GLU 13 HA GLU 13 9.913 3.012 -5.333
115 1HB GLU 13 2HB GLU 13 11.273 4.787 -4.090
116 2HB GLU 13 1HB GLU 13 10.577 4.137 -2.606
117 1HG GLU 13 2HG GLU 13 11.637 2.069 -4.404
118 2HG GLU 13 1HG GLU 13 12.866 3.191 -3.820
119 H LEU 14 H LEU 14 8.553 3.763 -2.105
120 HA LEU 14 HA LEU 14 8.208 1.036 -1.341
121 1HB LEU 14 2HB LEU 14 7.174 3.672 -0.396
122 2HB LEU 14 1HB LEU 14 6.319 2.230 0.146
123 HG LEU 14 HG LEU 14 9.267 2.844 0.505
124 1HD1 LEU 14 1HD1 LEU 14 7.143 2.258 2.580
125 2HD1 LEU 14 2HD1 LEU 14 7.528 3.894 2.050
126 3HD1 LEU 14 3HD1 LEU 14 8.759 2.913 2.844
127 1HD2 LEU 14 1HD2 LEU 14 7.769 0.305 0.517
128 2HD2 LEU 14 2HD2 LEU 14 8.723 0.581 1.974
129 3HD2 LEU 14 3HD2 LEU 14 9.506 0.583 0.394
130 H HIS 15 H HIS 15 6.403 3.032 -3.490
131 HA HIS 15 HA HIS 15 3.907 1.534 -3.249
132 1HB HIS 15 2HB HIS 15 4.212 3.982 -4.033
133 2HB HIS 15 1HB HIS 15 4.688 3.283 -5.580
134 HD1 HIS 15 1HD HIS 15 2.426 4.417 -6.507
135 HD2 HIS 15 2HD HIS 15 1.898 1.283 -3.809
136 HE1 HIS 15 1HE HIS 15 0.014 3.679 -6.729
137 H ASN 16 H ASN 16 6.856 1.268 -5.081
138 HA ASN 16 HA ASN 16 5.783 -0.368 -7.211
139 1HB ASN 16 2HB ASN 16 8.554 0.181 -6.161
140 2HB ASN 16 1HB ASN 16 8.286 -1.041 -7.404
141 1HD2 ASN 16 1HD2 ASN 16 9.767 0.863 -8.459
142 2HD2 ASN 16 2HD2 ASN 16 8.881 2.005 -9.349
143 H LYS 17 H LYS 17 6.951 -1.008 -3.961
144 HA LYS 17 HA LYS 17 7.142 -3.893 -4.385
145 1HB LYS 17 2HB LYS 17 7.067 -2.246 -1.836
146 2HB LYS 17 1HB LYS 17 7.422 -3.973 -1.914
147 1HG LYS 17 2HG LYS 17 9.357 -3.495 -3.388
148 2HG LYS 17 1HG LYS 17 9.019 -1.769 -3.253
149 1HD LYS 17 2HD LYS 17 9.384 -1.845 -0.841
150 2HD LYS 17 1HD LYS 17 9.613 -3.594 -0.904
151 1HE LYS 17 2HE LYS 17 11.804 -2.594 -0.849
152 2HE LYS 17 1HE LYS 17 11.544 -3.188 -2.489
153 1HZ LYS 17 1HZ LYS 17 10.965 -0.994 -3.203
154 2HZ LYS 17 2HZ LYS 17 12.461 -0.917 -2.401
155 3HZ LYS 17 3HZ LYS 17 11.047 -0.394 -1.619
156 H PHE 18 H PHE 18 4.862 -1.708 -2.715
157 HA PHE 18 HA PHE 18 3.009 -3.819 -2.050
158 1HB PHE 18 2HB PHE 18 2.945 -1.748 -0.791
159 2HB PHE 18 1HB PHE 18 2.661 -0.814 -2.260
160 HD1 PHE 18 1HD PHE 18 0.476 -0.597 -3.193
161 HD2 PHE 18 2HD PHE 18 1.193 -3.382 -0.002
162 HE1 PHE 18 1HE PHE 18 -1.969 -0.942 -2.946
163 HE2 PHE 18 2HE PHE 18 -1.251 -3.727 0.245
164 HZ PHE 18 HZ PHE 18 -2.831 -2.508 -1.227
165 H LEU 19 H LEU 19 3.627 -1.957 -4.914
166 HA LEU 19 HA LEU 19 0.999 -2.414 -6.094
167 1HB LEU 19 2HB LEU 19 3.585 -1.212 -6.989
168 2HB LEU 19 1HB LEU 19 2.471 -1.779 -8.234
169 HG LEU 19 HG LEU 19 1.668 0.079 -5.979
170 1HD1 LEU 19 1HD1 LEU 19 2.338 0.714 -8.871
171 2HD1 LEU 19 2HD1 LEU 19 3.319 1.155 -7.474
172 3HD1 LEU 19 3HD1 LEU 19 1.717 1.862 -7.685
173 1HD2 LEU 19 1HD2 LEU 19 0.322 -0.761 -8.568
174 2HD2 LEU 19 2HD2 LEU 19 -0.305 0.452 -7.454
175 3HD2 LEU 19 3HD2 LEU 19 -0.172 -1.229 -6.941
176 H ALA 20 H ALA 20 4.211 -3.929 -6.350
177 HA ALA 20 HA ALA 20 3.318 -5.797 -8.400
178 1HB ALA 20 1HB ALA 20 5.489 -6.997 -7.753
179 2HB ALA 20 2HB ALA 20 5.768 -5.669 -6.627
180 3HB ALA 20 3HB ALA 20 5.666 -5.351 -8.360
181 H ALA 21 H ALA 21 3.251 -5.672 -4.928
182 HA ALA 21 HA ALA 21 2.851 -8.542 -4.579
183 1HB ALA 21 1HB ALA 21 2.112 -7.821 -2.256
184 2HB ALA 21 2HB ALA 21 2.423 -6.159 -2.754
185 3HB ALA 21 3HB ALA 21 3.745 -7.325 -2.700
186 H VAL 22 H VAL 22 0.768 -5.653 -4.661
187 HA VAL 22 HA VAL 22 -1.701 -7.055 -4.209
188 HB VAL 22 HB VAL 22 -1.296 -4.529 -5.836
189 1HG1 VAL 22 1HG1 VAL 22 -3.542 -5.294 -6.026
190 2HG1 VAL 22 2HG1 VAL 22 -3.578 -4.043 -4.785
191 3HG1 VAL 22 3HG1 VAL 22 -3.613 -5.745 -4.323
192 1HG2 VAL 22 1HG2 VAL 22 -2.011 -4.355 -2.969
193 2HG2 VAL 22 2HG2 VAL 22 -0.947 -3.328 -3.931
194 3HG2 VAL 22 3HG2 VAL 22 -0.357 -4.868 -3.306
195 H ASP 23 H ASP 23 -0.019 -6.015 -7.153
196 HA ASP 23 HA ASP 23 -1.907 -7.010 -9.037
197 1HB ASP 23 2HB ASP 23 0.187 -5.522 -9.382
198 2HB ASP 23 1HB ASP 23 1.069 -7.038 -9.490
199 H HIS 24 H HIS 24 0.953 -8.524 -7.572
200 HA HIS 24 HA HIS 24 0.827 -10.988 -8.983
201 1HB HIS 24 2HB HIS 24 2.753 -10.324 -7.585
202 2HB HIS 24 1HB HIS 24 1.762 -10.509 -6.138
203 HD1 HIS 24 1HD HIS 24 1.458 -12.914 -9.001
204 HD2 HIS 24 2HD HIS 24 3.228 -12.781 -5.229
205 HE1 HIS 24 1HE HIS 24 2.185 -15.281 -8.467
206 H LEU 25 H LEU 25 -1.157 -9.756 -6.398
207 HA LEU 25 HA LEU 25 -2.347 -12.472 -6.031
208 1HB LEU 25 2HB LEU 25 -2.891 -10.034 -4.332
209 2HB LEU 25 1HB LEU 25 -3.176 -11.727 -3.927
210 HG LEU 25 HG LEU 25 -0.386 -10.852 -4.581
211 1HD1 LEU 25 1HD1 LEU 25 -0.260 -9.449 -2.826
212 2HD1 LEU 25 2HD1 LEU 25 -0.763 -10.757 -1.757
213 3HD1 LEU 25 3HD1 LEU 25 -1.971 -9.703 -2.489
214 1HD2 LEU 25 1HD2 LEU 25 -1.218 -12.698 -2.369
215 2HD2 LEU 25 2HD2 LEU 25 0.204 -12.772 -3.411
216 3HD2 LEU 25 3HD2 LEU 25 -1.372 -13.258 -4.034
217 H GLY 26 H GLY 26 -2.869 -9.581 -7.684
218 1HA GLY 26 2HA GLY 26 -4.735 -9.077 -9.072
219 2HA GLY 26 1HA GLY 26 -5.631 -10.383 -8.292
220 H VAL 27 H VAL 27 -5.224 -7.032 -8.426
221 HA VAL 27 HA VAL 27 -5.764 -6.138 -5.818
222 HB VAL 27 HB VAL 27 -5.295 -4.536 -7.554
223 1HG1 VAL 27 1HG1 VAL 27 -6.089 -5.496 -9.543
224 2HG1 VAL 27 2HG1 VAL 27 -7.218 -4.166 -9.285
225 3HG1 VAL 27 3HG1 VAL 27 -7.686 -5.812 -8.863
226 1HG2 VAL 27 1HG2 VAL 27 -7.148 -2.949 -7.246
227 2HG2 VAL 27 2HG2 VAL 27 -6.806 -3.784 -5.731
228 3HG2 VAL 27 3HG2 VAL 27 -8.197 -4.260 -6.705
229 H GLU 28 H GLU 28 -7.785 -7.937 -7.949
230 HA GLU 28 HA GLU 28 -10.352 -7.127 -6.960
231 1HB GLU 28 2HB GLU 28 -9.366 -9.684 -8.242
232 2HB GLU 28 1HB GLU 28 -11.057 -9.430 -7.806
233 1HG GLU 28 2HG GLU 28 -11.368 -8.288 -9.717
234 2HG GLU 28 1HG GLU 28 -10.174 -7.101 -9.189
235 H ARG 29 H ARG 29 -8.187 -9.806 -6.007
236 HA ARG 29 HA ARG 29 -9.813 -10.057 -3.505
237 1HB ARG 29 2HB ARG 29 -8.405 -12.090 -5.210
238 2HB ARG 29 1HB ARG 29 -8.615 -12.400 -3.486
239 1HG ARG 29 2HG ARG 29 -11.101 -11.424 -4.424
240 2HG ARG 29 1HG ARG 29 -10.560 -12.620 -5.603
241 1HD ARG 29 2HD ARG 29 -10.108 -14.195 -3.692
242 2HD ARG 29 1HD ARG 29 -10.858 -13.018 -2.613
243 HE ARG 29 HE ARG 29 -12.333 -14.891 -4.041
244 1HH1 ARG 29 1HH2 ARG 29 -12.562 -12.703 -6.100
245 2HH1 ARG 29 2HH2 ARG 29 -13.995 -11.880 -5.584
246 1HH2 ARG 29 1HH1 ARG 29 -13.987 -13.299 -2.419
247 2HH2 ARG 29 2HH1 ARG 29 -14.803 -12.217 -3.498
248 H ALA 30 H ALA 30 -7.211 -8.503 -4.394
249 HA ALA 30 HA ALA 30 -5.163 -9.589 -2.638
250 1HB ALA 30 1HB ALA 30 -4.140 -7.243 -3.061
251 2HB ALA 30 2HB ALA 30 -5.476 -7.024 -4.191
252 3HB ALA 30 3HB ALA 30 -4.315 -8.327 -4.441
253 H VAL 31 H VAL 31 -5.548 -9.566 -0.462
254 HA VAL 31 HA VAL 31 -6.970 -7.241 0.720
255 HB VAL 31 HB VAL 31 -6.923 -8.670 2.805
256 1HG1 VAL 31 1HG1 VAL 31 -8.807 -8.659 1.114
257 2HG1 VAL 31 2HG1 VAL 31 -8.672 -10.149 2.049
258 3HG1 VAL 31 3HG1 VAL 31 -8.077 -10.092 0.390
259 1HG2 VAL 31 1HG2 VAL 31 -5.874 -10.707 2.854
260 2HG2 VAL 31 2HG2 VAL 31 -4.884 -9.983 1.585
261 3HG2 VAL 31 3HG2 VAL 31 -6.229 -11.043 1.159
262 HA PRO 32 HA PRO 32 -3.273 -5.555 2.369
263 1HB PRO 32 2HB PRO 32 -4.230 -4.462 4.707
264 2HB PRO 32 1HB PRO 32 -4.531 -3.767 3.104
265 1HG PRO 32 2HG PRO 32 -6.390 -5.295 4.869
266 2HG PRO 32 1HG PRO 32 -6.760 -4.079 3.636
267 1HD PRO 32 2HD PRO 32 -7.019 -6.875 3.320
268 2HD PRO 32 1HD PRO 32 -7.037 -5.675 2.011
269 H LYS 33 H LYS 33 -5.121 -7.800 4.320
270 HA LYS 33 HA LYS 33 -3.183 -8.117 6.433
271 1HB LYS 33 2HB LYS 33 -5.426 -8.851 6.850
272 2HB LYS 33 1HB LYS 33 -5.434 -9.859 5.405
273 1HG LYS 33 2HG LYS 33 -3.298 -10.404 7.407
274 2HG LYS 33 1HG LYS 33 -4.942 -10.872 7.845
275 1HD LYS 33 2HD LYS 33 -5.052 -11.959 5.501
276 2HD LYS 33 1HD LYS 33 -3.295 -11.803 5.495
277 1HE LYS 33 2HE LYS 33 -3.363 -13.838 6.526
278 2HE LYS 33 1HE LYS 33 -3.690 -12.876 7.968
279 1HZ LYS 33 1HZ LYS 33 -5.696 -14.140 6.183
280 2HZ LYS 33 2HZ LYS 33 -6.078 -13.091 7.464
281 3HZ LYS 33 3HZ LYS 33 -5.333 -14.585 7.780
282 H LYS 34 H LYS 34 -3.894 -10.012 3.482
283 HA LYS 34 HA LYS 34 -1.678 -11.822 3.892
284 1HB LYS 34 2HB LYS 34 -3.263 -11.123 1.400
285 2HB LYS 34 1HB LYS 34 -2.077 -12.425 1.487
286 1HG LYS 34 2HG LYS 34 -4.406 -12.245 3.405
287 2HG LYS 34 1HG LYS 34 -4.522 -13.095 1.863
288 1HD LYS 34 2HD LYS 34 -2.455 -14.403 2.560
289 2HD LYS 34 1HD LYS 34 -2.655 -13.701 4.165
290 1HE LYS 34 2HE LYS 34 -5.056 -14.584 4.096
291 2HE LYS 34 1HE LYS 34 -4.561 -15.522 2.688
292 1HZ LYS 34 1HZ LYS 34 -4.367 -16.711 4.848
293 2HZ LYS 34 2HZ LYS 34 -3.152 -15.611 5.295
294 3HZ LYS 34 3HZ LYS 34 -2.922 -16.640 3.962
295 H ILE 35 H ILE 35 -2.117 -8.866 1.937
296 HA ILE 35 HA ILE 35 0.521 -8.972 0.799
297 HB ILE 35 HB ILE 35 -1.426 -6.702 1.231
298 1HG1 ILE 35 2HG1 ILE 35 -0.677 -8.593 -0.964
299 2HG1 ILE 35 1HG1 ILE 35 -2.263 -7.970 -0.522
300 1HG2 ILE 35 1HG2 ILE 35 0.113 -5.381 -0.251
301 2HG2 ILE 35 2HG2 ILE 35 1.305 -6.672 -0.099
302 3HG2 ILE 35 3HG2 ILE 35 0.818 -5.749 1.323
303 1HD1 ILE 35 1HD1 ILE 35 -2.003 -6.696 -2.394
304 2HD1 ILE 35 2HD1 ILE 35 -0.247 -6.859 -2.381
305 3HD1 ILE 35 3HD1 ILE 35 -1.031 -5.676 -1.333
306 H LEU 36 H LEU 36 -0.732 -7.998 3.891
307 HA LEU 36 HA LEU 36 1.334 -6.277 4.776
308 1HB LEU 36 2HB LEU 36 -0.610 -6.665 6.186
309 2HB LEU 36 1HB LEU 36 -0.232 -8.383 6.305
310 HG LEU 36 HG LEU 36 2.018 -7.647 7.308
311 1HD1 LEU 36 1HD1 LEU 36 0.450 -5.067 7.337
312 2HD1 LEU 36 2HD1 LEU 36 2.102 -5.338 6.781
313 3HD1 LEU 36 3HD1 LEU 36 1.734 -5.378 8.506
314 1HD2 LEU 36 1HD2 LEU 36 -0.119 -6.746 9.164
315 2HD2 LEU 36 2HD2 LEU 36 1.113 -7.988 9.385
316 3HD2 LEU 36 3HD2 LEU 36 -0.341 -8.346 8.454
317 H ASP 37 H ASP 37 1.224 -9.768 4.351
318 HA ASP 37 HA ASP 37 3.809 -10.212 5.647
319 1HB ASP 37 2HB ASP 37 1.834 -11.859 4.123
320 2HB ASP 37 1HB ASP 37 3.503 -12.427 4.165
321 H LEU 38 H LEU 38 2.593 -9.571 2.418
322 HA LEU 38 HA LEU 38 4.900 -10.239 0.898
323 1HB LEU 38 2HB LEU 38 2.607 -8.332 0.535
324 2HB LEU 38 1HB LEU 38 3.962 -8.279 -0.592
325 HG LEU 38 HG LEU 38 2.806 -10.952 0.056
326 1HD1 LEU 38 1HD1 LEU 38 0.742 -10.456 -0.693
327 2HD1 LEU 38 2HD1 LEU 38 1.442 -9.945 -2.229
328 3HD1 LEU 38 3HD1 LEU 38 1.213 -8.773 -0.931
329 1HD2 LEU 38 1HD2 LEU 38 4.094 -11.496 -1.714
330 2HD2 LEU 38 2HD2 LEU 38 4.640 -9.820 -1.787
331 3HD2 LEU 38 3HD2 LEU 38 3.239 -10.333 -2.727
332 H MET 39 H MET 39 4.062 -7.314 2.730
333 HA MET 39 HA MET 39 6.502 -5.949 1.805
334 1HB MET 39 2HB MET 39 4.261 -5.211 3.689
335 2HB MET 39 1HB MET 39 5.704 -4.209 3.528
336 1HG MET 39 2HG MET 39 4.993 -4.734 0.895
337 2HG MET 39 1HG MET 39 3.439 -4.507 1.698
338 1HE MET 39 1HE MET 39 6.239 -2.894 -0.081
339 2HE MET 39 2HE MET 39 5.473 -1.310 -0.172
340 3HE MET 39 3HE MET 39 4.552 -2.751 -0.598
341 H ASN 40 H ASN 40 5.252 -7.259 4.886
342 HA ASN 40 HA ASN 40 6.399 -7.797 6.867
343 1HB ASN 40 2HB ASN 40 7.468 -9.272 4.904
344 2HB ASN 40 1HB ASN 40 8.889 -8.302 5.293
345 1HD2 ASN 40 1HD2 ASN 40 9.820 -8.529 7.455
346 2HD2 ASN 40 2HD2 ASN 40 9.406 -9.833 8.460
347 H VAL 41 H VAL 41 6.618 -5.034 5.680
348 HA VAL 41 HA VAL 41 9.298 -4.106 6.379
349 HB VAL 41 HB VAL 41 6.726 -2.632 5.762
350 1HG1 VAL 41 1HG1 VAL 41 8.198 -0.632 5.554
351 2HG1 VAL 41 2HG1 VAL 41 9.540 -1.586 6.188
352 3HG1 VAL 41 3HG1 VAL 41 8.136 -1.251 7.203
353 1HG2 VAL 41 1HG2 VAL 41 9.204 -2.627 4.072
354 2HG2 VAL 41 2HG2 VAL 41 7.521 -2.436 3.583
355 3HG2 VAL 41 3HG2 VAL 41 8.138 -4.031 4.013
356 H ASP 42 H ASP 42 9.707 -2.575 8.141
357 HA ASP 42 HA ASP 42 8.184 -3.313 10.563
358 1HB ASP 42 2HB ASP 42 10.020 -1.879 11.665
359 2HB ASP 42 1HB ASP 42 10.536 -3.381 10.897
360 H LYS 43 H LYS 43 7.084 -1.781 11.852
361 HA LYS 43 HA LYS 43 6.065 0.279 12.387
362 1HB LYS 43 2HB LYS 43 8.363 1.147 11.378
363 2HB LYS 43 1HB LYS 43 7.329 1.631 10.033
364 1HG LYS 43 2HG LYS 43 6.289 3.257 11.247
365 2HG LYS 43 1HG LYS 43 6.286 2.291 12.723
366 1HD LYS 43 2HD LYS 43 8.942 3.206 11.752
367 2HD LYS 43 1HD LYS 43 7.875 4.450 12.402
368 1HE LYS 43 2HE LYS 43 7.706 2.206 14.143
369 2HE LYS 43 1HE LYS 43 9.417 2.506 13.838
370 1HZ LYS 43 1HZ LYS 43 9.179 4.752 14.522
371 2HZ LYS 43 2HZ LYS 43 8.463 3.786 15.723
372 3HZ LYS 43 3HZ LYS 43 7.489 4.623 14.610
373 H LEU 44 H LEU 44 5.740 -1.498 9.597
374 HA LEU 44 HA LEU 44 3.636 0.241 8.436
375 1HB LEU 44 2HB LEU 44 5.156 -2.166 7.508
376 2HB LEU 44 1HB LEU 44 3.556 -1.876 6.824
377 HG LEU 44 HG LEU 44 5.909 0.036 6.805
378 1HD1 LEU 44 1HD1 LEU 44 4.748 -0.419 4.247
379 2HD1 LEU 44 2HD1 LEU 44 4.971 -1.995 5.005
380 3HD1 LEU 44 3HD1 LEU 44 6.347 -0.908 4.810
381 1HD2 LEU 44 1HD2 LEU 44 4.318 1.651 6.781
382 2HD2 LEU 44 2HD2 LEU 44 3.020 0.477 6.566
383 3HD2 LEU 44 3HD2 LEU 44 3.919 1.063 5.167
384 H THR 45 H THR 45 1.741 0.069 9.555
385 HA THR 45 HA THR 45 0.950 -2.522 10.727
386 HB THR 45 HB THR 45 -1.000 -1.202 11.592
387 HG1 THR 45 1HG THR 45 -0.569 0.340 9.675
388 1HG2 THR 45 1HG2 THR 45 0.469 -0.988 13.289
389 2HG2 THR 45 2HG2 THR 45 0.856 0.602 12.630
390 3HG2 THR 45 3HG2 THR 45 1.826 -0.800 12.177
391 H ARG 46 H ARG 46 -1.549 -3.002 10.392
392 HA ARG 46 HA ARG 46 -1.891 -3.456 7.528
393 1HB ARG 46 2HB ARG 46 -3.026 -4.474 10.002
394 2HB ARG 46 1HB ARG 46 -4.289 -4.119 8.822
395 1HG ARG 46 2HG ARG 46 -3.007 -5.423 7.120
396 2HG ARG 46 1HG ARG 46 -1.845 -5.857 8.374
397 1HD ARG 46 2HD ARG 46 -4.583 -6.358 9.234
398 2HD ARG 46 1HD ARG 46 -4.193 -7.239 7.756
399 HE ARG 46 HE ARG 46 -2.036 -7.862 9.219
400 1HH1 ARG 46 1HH1 ARG 46 -5.416 -8.038 9.741
401 2HH1 ARG 46 2HH1 ARG 46 -5.290 -9.011 11.168
402 1HH2 ARG 46 1HH2 ARG 46 -1.825 -8.929 11.239
403 2HH2 ARG 46 2HH2 ARG 46 -3.256 -9.517 12.015
404 H GLU 47 H GLU 47 -3.041 -1.144 9.874
405 HA GLU 47 HA GLU 47 -5.315 -0.258 8.285
406 1HB GLU 47 2HB GLU 47 -4.991 0.036 10.820
407 2HB GLU 47 1HB GLU 47 -3.901 1.361 10.410
408 1HG GLU 47 2HG GLU 47 -6.224 1.714 8.826
409 2HG GLU 47 1HG GLU 47 -6.781 1.356 10.462
410 H ASN 48 H ASN 48 -1.909 0.419 8.343
411 HA ASN 48 HA ASN 48 -2.052 3.006 7.051
412 1HB ASN 48 2HB ASN 48 0.115 0.971 7.512
413 2HB ASN 48 1HB ASN 48 0.400 2.328 6.420
414 1HD2 ASN 48 1HD2 ASN 48 -1.536 2.294 9.450
415 2HD2 ASN 48 2HD2 ASN 48 -0.600 3.468 10.240
416 H VAL 49 H VAL 49 -1.556 -0.323 5.866
417 HA VAL 49 HA VAL 49 -1.484 0.600 3.081
418 HB VAL 49 HB VAL 49 -1.527 -2.164 4.327
419 1HG1 VAL 49 1HG1 VAL 49 -2.273 -2.812 2.281
420 2HG1 VAL 49 2HG1 VAL 49 -0.632 -2.454 1.744
421 3HG1 VAL 49 3HG1 VAL 49 -1.905 -1.248 1.553
422 1HG2 VAL 49 1HG2 VAL 49 0.742 -1.154 2.697
423 2HG2 VAL 49 2HG2 VAL 49 0.759 -2.120 4.173
424 3HG2 VAL 49 3HG2 VAL 49 0.513 -0.376 4.263
425 H ALA 50 H ALA 50 -3.822 -0.639 5.356
426 HA ALA 50 HA ALA 50 -5.798 -1.347 3.346
427 1HB ALA 50 1HB ALA 50 -5.609 -2.171 5.813
428 2HB ALA 50 2HB ALA 50 -7.215 -1.865 5.151
429 3HB ALA 50 3HB ALA 50 -6.455 -0.676 6.208
430 H SER 51 H SER 51 -4.782 1.576 4.875
431 HA SER 51 HA SER 51 -7.287 3.017 4.467
432 1HB SER 51 2HB SER 51 -4.490 3.793 5.263
433 2HB SER 51 1HB SER 51 -5.665 5.033 4.832
434 HG SER 51 HG SER 51 -6.161 2.973 6.719
435 H HIS 52 H HIS 52 -4.120 2.907 2.816
436 HA HIS 52 HA HIS 52 -4.780 4.800 0.778
437 1HB HIS 52 2HB HIS 52 -2.467 3.954 1.282
438 2HB HIS 52 1HB HIS 52 -2.915 2.422 0.534
439 HD1 HIS 52 1HD HIS 52 -3.404 2.450 -2.051
440 HD2 HIS 52 2HD HIS 52 -1.961 6.055 -0.535
441 HE1 HIS 52 1HE HIS 52 -2.713 3.842 -4.051
442 H LEU 53 H LEU 53 -5.570 1.426 1.210
443 HA LEU 53 HA LEU 53 -6.414 1.039 -1.567
444 1HB LEU 53 2HB LEU 53 -5.591 -0.860 -0.229
445 2HB LEU 53 1HB LEU 53 -6.918 -0.636 0.912
446 HG LEU 53 HG LEU 53 -8.501 -0.930 -1.062
447 1HD1 LEU 53 1HD1 LEU 53 -7.681 -1.242 -3.140
448 2HD1 LEU 53 2HD1 LEU 53 -6.567 -2.489 -2.577
449 3HD1 LEU 53 3HD1 LEU 53 -6.102 -0.789 -2.497
450 1HD2 LEU 53 1HD2 LEU 53 -6.777 -2.998 0.202
451 2HD2 LEU 53 2HD2 LEU 53 -7.714 -3.516 -1.200
452 3HD2 LEU 53 3HD2 LEU 53 -8.533 -2.842 0.208
453 H GLN 54 H GLN 54 -7.828 2.212 1.378
454 HA GLN 54 HA GLN 54 -10.589 1.742 0.547
455 1HB GLN 54 2HB GLN 54 -9.258 3.215 2.808
456 2HB GLN 54 1HB GLN 54 -10.976 3.454 2.489
457 1HG GLN 54 2HG GLN 54 -10.468 0.653 2.366
458 2HG GLN 54 1HG GLN 54 -9.712 1.265 3.837
459 1HE2 GLN 54 1HE2 GLN 54 -11.602 3.457 4.280
460 2HE2 GLN 54 2HE2 GLN 54 -13.081 2.757 4.728
461 H LYS 55 H LYS 55 -8.232 4.328 0.242
462 HA LYS 55 HA LYS 55 -10.239 6.277 -0.641
463 1HB LYS 55 2HB LYS 55 -7.276 6.261 -0.244
464 2HB LYS 55 1HB LYS 55 -7.953 7.458 -1.349
465 1HG LYS 55 2HG LYS 55 -9.677 7.572 0.815
466 2HG LYS 55 1HG LYS 55 -8.103 7.333 1.574
467 1HD LYS 55 2HD LYS 55 -7.959 9.256 -0.610
468 2HD LYS 55 1HD LYS 55 -9.120 9.753 0.622
469 1HE LYS 55 2HE LYS 55 -6.379 8.760 1.390
470 2HE LYS 55 1HE LYS 55 -6.643 10.447 0.948
471 1HZ LYS 55 1HZ LYS 55 -8.643 9.566 2.748
472 2HZ LYS 55 2HZ LYS 55 -7.535 10.843 2.918
473 3HZ LYS 55 3HZ LYS 55 -7.106 9.272 3.402
474 H PHE 56 H PHE 56 -8.155 3.890 -2.098
475 HA PHE 56 HA PHE 56 -8.359 5.039 -4.786
476 1HB PHE 56 2HB PHE 56 -6.458 3.536 -3.884
477 2HB PHE 56 1HB PHE 56 -7.576 2.195 -4.134
478 HD1 PHE 56 1HD PHE 56 -7.625 1.149 -6.220
479 HD2 PHE 56 2HD PHE 56 -6.229 5.201 -5.931
480 HE1 PHE 56 1HE PHE 56 -7.053 1.124 -8.633
481 HE2 PHE 56 2HE PHE 56 -5.659 5.176 -8.345
482 HZ PHE 56 HZ PHE 56 -6.070 3.138 -9.696
483 H ARG 57 H ARG 57 -9.751 2.192 -3.111
484 HA ARG 57 HA ARG 57 -11.387 1.305 -5.257
485 1HB ARG 57 2HB ARG 57 -10.989 0.176 -2.974
486 2HB ARG 57 1HB ARG 57 -12.247 1.246 -2.354
487 1HG ARG 57 2HG ARG 57 -13.877 0.343 -3.876
488 2HG ARG 57 1HG ARG 57 -12.641 -0.558 -4.753
489 1HD ARG 57 2HD ARG 57 -12.320 -1.381 -2.109
490 2HD ARG 57 1HD ARG 57 -14.069 -1.281 -2.314
491 HE ARG 57 HE ARG 57 -13.897 -3.225 -3.618
492 1HH1 ARG 57 1HH2 ARG 57 -10.769 -2.198 -2.937
493 2HH1 ARG 57 2HH2 ARG 57 -10.036 -2.952 -4.313
494 1HH2 ARG 57 1HH1 ARG 57 -13.053 -3.855 -5.760
495 2HH2 ARG 57 2HH1 ARG 57 -11.328 -3.888 -5.912
496 H VAL 58 H VAL 58 -11.936 3.769 -2.764
497 HA VAL 58 HA VAL 58 -14.635 4.397 -3.542
498 HB VAL 58 HB VAL 58 -12.486 5.981 -2.112
499 1HG1 VAL 58 1HG1 VAL 58 -15.025 6.861 -3.275
500 2HG1 VAL 58 2HG1 VAL 58 -13.699 7.821 -2.619
501 3HG1 VAL 58 3HG1 VAL 58 -14.930 7.166 -1.540
502 1HG2 VAL 58 1HG2 VAL 58 -13.674 3.918 -1.091
503 2HG2 VAL 58 2HG2 VAL 58 -15.108 4.942 -1.034
504 3HG2 VAL 58 3HG2 VAL 58 -13.660 5.402 -0.138
505 H ALA 59 H ALA 59 -11.465 5.342 -4.681
506 HA ALA 59 HA ALA 59 -12.509 7.444 -6.442
507 1HB ALA 59 1HB ALA 59 -9.872 6.597 -7.183
508 2HB ALA 59 2HB ALA 59 -9.954 6.694 -5.424
509 3HB ALA 59 3HB ALA 59 -10.356 8.104 -6.404
510 H LEU 60 H LEU 60 -12.254 4.071 -6.489
511 HA LEU 60 HA LEU 60 -12.081 3.910 -9.443
512 1HB LEU 60 2HB LEU 60 -11.731 2.015 -7.163
513 2HB LEU 60 1HB LEU 60 -12.286 1.347 -8.695
514 HG LEU 60 HG LEU 60 -9.790 3.013 -8.270
515 1HD1 LEU 60 1HD1 LEU 60 -8.980 0.668 -9.364
516 2HD1 LEU 60 2HD1 LEU 60 -10.376 0.107 -8.446
517 3HD1 LEU 60 3HD1 LEU 60 -9.058 0.942 -7.623
518 1HD2 LEU 60 1HD2 LEU 60 -10.109 3.551 -10.453
519 2HD2 LEU 60 2HD2 LEU 60 -11.366 2.331 -10.657
520 3HD2 LEU 60 3HD2 LEU 60 -9.666 1.877 -10.788
521 H LYS 61 H LYS 61 -14.466 4.515 -7.300
522 HA LYS 61 HA LYS 61 -16.452 2.669 -8.507
523 1HB LYS 61 2HB LYS 61 -17.924 3.305 -6.752
524 2HB LYS 61 1HB LYS 61 -16.339 3.186 -5.990
525 1HG LYS 61 2HG LYS 61 -16.070 5.675 -6.386
526 2HG LYS 61 1HG LYS 61 -17.764 5.707 -6.876
527 1HD LYS 61 2HD LYS 61 -17.927 4.334 -4.516
528 2HD LYS 61 1HD LYS 61 -16.593 5.438 -4.179
529 1HE LYS 61 2HE LYS 61 -17.914 7.326 -4.395
530 2HE LYS 61 1HE LYS 61 -19.032 6.543 -5.512
531 1HZ LYS 61 1HZ LYS 61 -19.206 6.776 -2.700
532 2HZ LYS 61 2HZ LYS 61 -19.181 5.134 -3.137
533 3HZ LYS 61 3HZ LYS 61 -20.354 6.172 -3.793
534 H LYS 62 H LYS 62 -15.226 5.809 -8.963
535 HA LYS 62 HA LYS 62 -17.603 6.470 -10.650
536 1HB LYS 62 2HB LYS 62 -17.107 8.901 -10.073
537 2HB LYS 62 1HB LYS 62 -17.770 7.931 -8.757
538 1HG LYS 62 2HG LYS 62 -14.914 7.654 -8.751
539 2HG LYS 62 1HG LYS 62 -15.317 9.371 -8.792
540 1HD LYS 62 2HD LYS 62 -17.133 8.254 -6.972
541 2HD LYS 62 1HD LYS 62 -15.592 7.477 -6.607
542 1HE LYS 62 2HE LYS 62 -15.317 9.385 -5.351
543 2HE LYS 62 1HE LYS 62 -14.711 9.995 -6.891
544 1HZ LYS 62 1HZ LYS 62 -16.364 11.469 -5.865
545 2HZ LYS 62 2HZ LYS 62 -17.523 10.231 -5.965
546 3HZ LYS 62 3HZ LYS 62 -16.865 10.899 -7.382
547 H VAL 63 H VAL 63 -14.114 6.716 -10.151
548 HA VAL 63 HA VAL 63 -13.394 8.300 -12.363
549 HB VAL 63 HB VAL 63 -11.846 7.337 -10.595
550 1HG1 VAL 63 1HG1 VAL 63 -12.825 4.956 -11.145
551 2HG1 VAL 63 2HG1 VAL 63 -11.124 5.120 -10.706
552 3HG1 VAL 63 3HG1 VAL 63 -11.585 4.949 -12.400
553 1HG2 VAL 63 1HG2 VAL 63 -10.015 7.625 -11.982
554 2HG2 VAL 63 2HG2 VAL 63 -11.273 8.300 -13.017
555 3HG2 VAL 63 3HG2 VAL 63 -10.710 6.649 -13.276
556 H SER 64 H SER 64 -12.716 7.667 -14.537
557 HA SER 64 HA SER 64 -14.521 5.693 -15.711
558 1HB SER 64 2HB SER 64 -12.762 7.837 -16.668
559 2HB SER 64 1HB SER 64 -12.732 6.410 -17.700
560 HG SER 64 HG SER 64 -14.806 6.679 -18.156
Start of MODEL 3
1 1H THR 1 1HT THR 1 20.063 15.366 5.364
2 2H THR 1 2HT THR 1 20.869 16.299 4.194
3 3H THR 1 3HT THR 1 21.623 15.955 5.678
4 HA THR 1 HA THR 1 20.826 13.839 3.766
5 HB THR 1 HB THR 1 23.298 13.821 3.189
6 HG1 THR 1 1HG THR 1 23.698 15.267 5.080
7 1HG2 THR 1 1HG2 THR 1 22.107 16.463 2.406
8 2HG2 THR 1 2HG2 THR 1 21.325 14.968 1.892
9 3HG2 THR 1 3HG2 THR 1 22.990 15.302 1.414
10 H ALA 2 H ALA 2 20.563 13.988 6.673
11 HA ALA 2 HA ALA 2 22.818 12.311 7.632
12 1HB ALA 2 1HB ALA 2 20.681 12.792 9.555
13 2HB ALA 2 2HB ALA 2 21.270 14.296 8.849
14 3HB ALA 2 3HB ALA 2 22.392 13.205 9.661
15 H GLN 3 H GLN 3 22.565 10.139 8.048
16 HA GLN 3 HA GLN 3 21.535 8.032 8.150
17 1HB GLN 3 2HB GLN 3 19.480 9.920 9.074
18 2HB GLN 3 1HB GLN 3 18.816 8.450 8.362
19 1HG GLN 3 2HG GLN 3 19.148 7.602 10.456
20 2HG GLN 3 1HG GLN 3 20.803 7.392 9.883
21 1HE2 GLN 3 1HE2 GLN 3 21.071 7.646 12.424
22 2HE2 GLN 3 2HE2 GLN 3 21.342 9.229 12.975
23 H LYS 4 H LYS 4 21.663 7.096 6.154
24 HA LYS 4 HA LYS 4 20.530 8.193 3.767
25 1HB LYS 4 2HB LYS 4 22.370 6.330 4.138
26 2HB LYS 4 1HB LYS 4 20.983 5.242 4.050
27 1HG LYS 4 2HG LYS 4 20.815 7.227 1.958
28 2HG LYS 4 1HG LYS 4 22.372 6.403 1.886
29 1HD LYS 4 2HD LYS 4 20.257 4.502 2.422
30 2HD LYS 4 1HD LYS 4 19.898 5.424 0.962
31 1HE LYS 4 2HE LYS 4 21.372 4.144 -0.155
32 2HE LYS 4 1HE LYS 4 22.657 4.816 0.849
33 1HZ LYS 4 1HZ LYS 4 21.005 2.682 1.977
34 2HZ LYS 4 2HZ LYS 4 22.648 3.031 2.230
35 3HZ LYS 4 3HZ LYS 4 22.152 2.254 0.803
36 H LYS 5 H LYS 5 18.896 6.763 2.434
37 HA LYS 5 HA LYS 5 16.669 6.049 2.234
38 1HB LYS 5 2HB LYS 5 17.381 4.008 3.269
39 2HB LYS 5 1HB LYS 5 17.464 4.769 4.858
40 1HG LYS 5 2HG LYS 5 15.266 4.427 5.234
41 2HG LYS 5 1HG LYS 5 14.829 5.081 3.656
42 1HD LYS 5 2HD LYS 5 14.413 3.001 2.915
43 2HD LYS 5 1HD LYS 5 16.094 2.564 3.220
44 1HE LYS 5 2HE LYS 5 15.034 1.054 4.620
45 2HE LYS 5 1HE LYS 5 15.239 2.408 5.731
46 1HZ LYS 5 1HZ LYS 5 12.883 2.785 4.249
47 2HZ LYS 5 2HZ LYS 5 13.055 2.560 5.924
48 3HZ LYS 5 3HZ LYS 5 12.860 1.219 4.899
49 HA PRO 6 HA PRO 6 15.028 9.468 4.712
50 1HB PRO 6 2HB PRO 6 13.255 10.271 2.769
51 2HB PRO 6 1HB PRO 6 14.952 10.780 2.819
52 1HG PRO 6 2HG PRO 6 13.639 8.798 1.017
53 2HG PRO 6 1HG PRO 6 15.078 9.793 0.733
54 1HD PRO 6 2HD PRO 6 15.079 7.050 1.419
55 2HD PRO 6 1HD PRO 6 16.482 8.140 1.481
56 H ARG 7 H ARG 7 12.997 9.651 5.806
57 HA ARG 7 HA ARG 7 11.570 7.392 6.483
58 1HB ARG 7 2HB ARG 7 9.580 9.031 6.833
59 2HB ARG 7 1HB ARG 7 11.067 9.322 7.737
60 1HG ARG 7 2HG ARG 7 11.772 11.019 6.176
61 2HG ARG 7 1HG ARG 7 10.455 10.623 5.071
62 1HD ARG 7 2HD ARG 7 9.481 11.222 7.755
63 2HD ARG 7 1HD ARG 7 10.388 12.569 7.066
64 HE ARG 7 HE ARG 7 8.566 11.562 5.101
65 1HH1 ARG 7 1HH2 ARG 7 7.386 11.954 8.077
66 2HH1 ARG 7 2HH2 ARG 7 6.519 13.428 7.802
67 1HH2 ARG 7 1HH1 ARG 7 8.012 14.043 4.733
68 2HH2 ARG 7 2HH1 ARG 7 6.873 14.611 5.908
69 H VAL 8 H VAL 8 10.710 5.934 5.079
70 HA VAL 8 HA VAL 8 9.388 6.912 2.609
71 HB VAL 8 HB VAL 8 10.509 4.288 3.536
72 1HG1 VAL 8 1HG1 VAL 8 8.291 3.599 2.871
73 2HG1 VAL 8 2HG1 VAL 8 9.389 3.203 1.549
74 3HG1 VAL 8 3HG1 VAL 8 8.349 4.623 1.437
75 1HG2 VAL 8 1HG2 VAL 8 11.775 4.444 1.585
76 2HG2 VAL 8 2HG2 VAL 8 11.565 6.147 1.992
77 3HG2 VAL 8 3HG2 VAL 8 10.555 5.405 0.750
78 H LEU 9 H LEU 9 7.297 7.512 3.021
79 HA LEU 9 HA LEU 9 5.658 5.758 4.793
80 1HB LEU 9 2HB LEU 9 5.900 8.290 5.225
81 2HB LEU 9 1HB LEU 9 4.887 8.502 3.798
82 HG LEU 9 HG LEU 9 3.221 6.916 4.889
83 1HD1 LEU 9 1HD1 LEU 9 4.919 7.514 7.332
84 2HD1 LEU 9 2HD1 LEU 9 4.852 5.955 6.512
85 3HD1 LEU 9 3HD1 LEU 9 3.414 6.596 7.307
86 1HD2 LEU 9 1HD2 LEU 9 2.254 8.924 5.250
87 2HD2 LEU 9 2HD2 LEU 9 3.822 9.698 5.472
88 3HD2 LEU 9 3HD2 LEU 9 3.018 8.931 6.841
89 H TRP 10 H TRP 10 5.433 7.618 1.746
90 HA TRP 10 HA TRP 10 4.104 5.406 0.399
91 1HB TRP 10 2HB TRP 10 2.534 7.834 1.279
92 2HB TRP 10 1HB TRP 10 2.045 6.873 -0.116
93 HD1 TRP 10 HD TRP 10 1.269 7.133 3.355
94 HE1 TRP 10 1HE TRP 10 0.407 4.914 4.342
95 HE3 TRP 10 3HE TRP 10 2.736 3.903 -0.319
96 HZ2 TRP 10 2HZ TRP 10 0.346 2.136 3.663
97 HZ3 TRP 10 3HZ TRP 10 2.263 1.479 -0.124
98 HH2 TRP 10 HH TRP 10 1.071 0.592 1.861
99 H THR 11 H THR 11 6.148 6.041 -0.793
100 HA THR 11 HA THR 11 5.665 8.410 -2.558
101 HB THR 11 HB THR 11 8.101 8.453 -2.913
102 HG1 THR 11 1HG THR 11 9.135 6.968 -1.169
103 1HG2 THR 11 1HG2 THR 11 7.827 8.224 0.055
104 2HG2 THR 11 2HG2 THR 11 6.835 9.414 -0.786
105 3HG2 THR 11 3HG2 THR 11 8.593 9.489 -0.905
106 H HIS 12 H HIS 12 6.862 8.043 -4.776
107 HA HIS 12 HA HIS 12 5.547 6.069 -6.246
108 1HB HIS 12 2HB HIS 12 7.208 8.057 -6.935
109 2HB HIS 12 1HB HIS 12 8.345 6.714 -7.065
110 HD1 HIS 12 1HD HIS 12 4.654 7.013 -8.019
111 HD2 HIS 12 2HD HIS 12 8.309 5.932 -9.706
112 HE1 HIS 12 1HE HIS 12 4.155 6.251 -10.382
113 H GLU 13 H GLU 13 8.480 5.786 -4.328
114 HA GLU 13 HA GLU 13 9.316 3.226 -5.345
115 1HB GLU 13 2HB GLU 13 10.629 4.914 -3.888
116 2HB GLU 13 1HB GLU 13 9.782 4.188 -2.525
117 1HG GLU 13 2HG GLU 13 10.833 2.132 -4.274
118 2HG GLU 13 1HG GLU 13 12.119 3.226 -3.761
119 H LEU 14 H LEU 14 7.500 4.152 -2.413
120 HA LEU 14 HA LEU 14 6.946 1.487 -1.553
121 1HB LEU 14 2HB LEU 14 5.796 4.190 -1.008
122 2HB LEU 14 1HB LEU 14 4.845 2.783 -0.532
123 HG LEU 14 HG LEU 14 7.721 3.314 0.254
124 1HD1 LEU 14 1HD1 LEU 14 6.471 3.273 2.580
125 2HD1 LEU 14 2HD1 LEU 14 5.069 3.708 1.603
126 3HD1 LEU 14 3HD1 LEU 14 6.492 4.751 1.618
127 1HD2 LEU 14 1HD2 LEU 14 5.938 0.954 0.414
128 2HD2 LEU 14 2HD2 LEU 14 6.800 1.347 1.902
129 3HD2 LEU 14 3HD2 LEU 14 7.700 1.035 0.417
130 H HIS 15 H HIS 15 5.560 3.446 -4.066
131 HA HIS 15 HA HIS 15 3.041 2.035 -4.263
132 1HB HIS 15 2HB HIS 15 3.619 4.341 -5.235
133 2HB HIS 15 1HB HIS 15 4.443 3.467 -6.527
134 HD1 HIS 15 1HD HIS 15 1.318 2.075 -4.998
135 HD2 HIS 15 2HD HIS 15 2.431 4.149 -8.438
136 HE1 HIS 15 1HE HIS 15 -0.671 1.984 -6.563
137 H ASN 16 H ASN 16 6.278 1.454 -5.439
138 HA ASN 16 HA ASN 16 5.541 -0.431 -7.505
139 1HB ASN 16 2HB ASN 16 8.064 0.335 -6.089
140 2HB ASN 16 1HB ASN 16 8.035 -1.197 -6.962
141 1HD2 ASN 16 1HD2 ASN 16 8.768 2.034 -7.385
142 2HD2 ASN 16 2HD2 ASN 16 8.532 2.150 -9.062
143 H LYS 17 H LYS 17 6.340 -0.714 -4.060
144 HA LYS 17 HA LYS 17 6.324 -3.616 -4.070
145 1HB LYS 17 2HB LYS 17 5.791 -1.829 -1.685
146 2HB LYS 17 1HB LYS 17 6.473 -3.456 -1.685
147 1HG LYS 17 2HG LYS 17 8.384 -2.472 -3.097
148 2HG LYS 17 1HG LYS 17 7.763 -0.890 -2.622
149 1HD LYS 17 2HD LYS 17 8.831 -3.078 -0.828
150 2HD LYS 17 1HD LYS 17 9.438 -1.432 -1.007
151 1HE LYS 17 2HE LYS 17 8.165 -0.919 0.788
152 2HE LYS 17 1HE LYS 17 6.781 -1.054 -0.297
153 1HZ LYS 17 1HZ LYS 17 7.751 -2.917 1.720
154 2HZ LYS 17 2HZ LYS 17 7.157 -3.604 0.283
155 3HZ LYS 17 3HZ LYS 17 6.165 -2.589 1.218
156 H PHE 18 H PHE 18 3.963 -1.132 -3.073
157 HA PHE 18 HA PHE 18 1.915 -3.038 -2.387
158 1HB PHE 18 2HB PHE 18 1.960 -0.673 -1.578
159 2HB PHE 18 1HB PHE 18 1.592 -0.139 -3.217
160 HD1 PHE 18 1HD PHE 18 -0.642 0.199 -3.781
161 HD2 PHE 18 2HD PHE 18 0.335 -2.596 -0.669
162 HE1 PHE 18 1HE PHE 18 -3.057 -0.183 -3.367
163 HE2 PHE 18 2HE PHE 18 -2.080 -2.979 -0.255
164 HZ PHE 18 HZ PHE 18 -3.775 -1.772 -1.604
165 H LEU 19 H LEU 19 3.014 -1.694 -5.400
166 HA LEU 19 HA LEU 19 0.522 -2.307 -6.814
167 1HB LEU 19 2HB LEU 19 3.243 -1.310 -7.625
168 2HB LEU 19 1HB LEU 19 2.113 -1.887 -8.851
169 HG LEU 19 HG LEU 19 1.469 0.245 -6.792
170 1HD1 LEU 19 1HD1 LEU 19 2.651 0.339 -9.523
171 2HD1 LEU 19 2HD1 LEU 19 2.850 1.455 -8.171
172 3HD1 LEU 19 3HD1 LEU 19 1.394 1.525 -9.165
173 1HD2 LEU 19 1HD2 LEU 19 -0.635 -0.399 -7.387
174 2HD2 LEU 19 2HD2 LEU 19 -0.067 -1.259 -8.819
175 3HD2 LEU 19 3HD2 LEU 19 -0.299 0.489 -8.874
176 H ALA 20 H ALA 20 3.742 -3.791 -6.484
177 HA ALA 20 HA ALA 20 3.042 -5.950 -8.330
178 1HB ALA 20 1HB ALA 20 5.192 -6.965 -7.493
179 2HB ALA 20 2HB ALA 20 5.352 -5.595 -6.393
180 3HB ALA 20 3HB ALA 20 5.385 -5.334 -8.137
181 H ALA 21 H ALA 21 2.691 -5.303 -4.946
182 HA ALA 21 HA ALA 21 2.341 -8.109 -4.202
183 1HB ALA 21 1HB ALA 21 1.211 -5.947 -2.494
184 2HB ALA 21 2HB ALA 21 2.956 -5.917 -2.747
185 3HB ALA 21 3HB ALA 21 2.192 -7.340 -2.039
186 H VAL 22 H VAL 22 0.236 -5.321 -4.897
187 HA VAL 22 HA VAL 22 -2.222 -6.769 -4.370
188 HB VAL 22 HB VAL 22 -1.801 -4.378 -6.191
189 1HG1 VAL 22 1HG1 VAL 22 -4.020 -5.821 -6.017
190 2HG1 VAL 22 2HG1 VAL 22 -4.091 -4.061 -6.090
191 3HG1 VAL 22 3HG1 VAL 22 -4.242 -4.887 -4.539
192 1HG2 VAL 22 1HG2 VAL 22 -0.996 -4.385 -3.647
193 2HG2 VAL 22 2HG2 VAL 22 -2.716 -4.111 -3.365
194 3HG2 VAL 22 3HG2 VAL 22 -1.793 -2.983 -4.359
195 H ASP 23 H ASP 23 -0.378 -5.947 -7.279
196 HA ASP 23 HA ASP 23 -2.085 -7.189 -9.189
197 1HB ASP 23 2HB ASP 23 0.001 -5.680 -9.519
198 2HB ASP 23 1HB ASP 23 0.918 -7.175 -9.408
199 H HIS 24 H HIS 24 0.663 -8.450 -7.323
200 HA HIS 24 HA HIS 24 0.729 -11.054 -8.467
201 1HB HIS 24 2HB HIS 24 2.501 -10.228 -6.982
202 2HB HIS 24 1HB HIS 24 1.372 -10.200 -5.628
203 HD1 HIS 24 1HD HIS 24 1.823 -12.157 -4.160
204 HD2 HIS 24 2HD HIS 24 2.220 -13.149 -8.190
205 HE1 HIS 24 1HE HIS 24 2.345 -14.634 -4.241
206 H LEU 25 H LEU 25 -1.523 -9.605 -6.243
207 HA LEU 25 HA LEU 25 -2.757 -12.289 -5.769
208 1HB LEU 25 2HB LEU 25 -3.365 -9.766 -4.228
209 2HB LEU 25 1HB LEU 25 -3.673 -11.434 -3.750
210 HG LEU 25 HG LEU 25 -0.842 -10.649 -4.296
211 1HD1 LEU 25 1HD1 LEU 25 -1.653 -10.223 -1.514
212 2HD1 LEU 25 2HD1 LEU 25 -2.386 -9.063 -2.622
213 3HD1 LEU 25 3HD1 LEU 25 -0.632 -9.226 -2.549
214 1HD2 LEU 25 1HD2 LEU 25 -0.511 -12.220 -2.372
215 2HD2 LEU 25 2HD2 LEU 25 -1.383 -12.960 -3.714
216 3HD2 LEU 25 3HD2 LEU 25 -2.260 -12.424 -2.282
217 H GLY 26 H GLY 26 -3.070 -9.617 -7.714
218 1HA GLY 26 2HA GLY 26 -4.852 -9.064 -9.173
219 2HA GLY 26 1HA GLY 26 -5.839 -10.294 -8.373
220 H VAL 27 H VAL 27 -5.237 -6.960 -8.615
221 HA VAL 27 HA VAL 27 -5.873 -5.937 -6.084
222 HB VAL 27 HB VAL 27 -5.234 -4.595 -8.116
223 1HG1 VAL 27 1HG1 VAL 27 -7.136 -3.882 -9.584
224 2HG1 VAL 27 2HG1 VAL 27 -8.148 -5.092 -8.794
225 3HG1 VAL 27 3HG1 VAL 27 -6.747 -5.595 -9.738
226 1HG2 VAL 27 1HG2 VAL 27 -6.738 -3.881 -5.920
227 2HG2 VAL 27 2HG2 VAL 27 -7.730 -3.289 -7.253
228 3HG2 VAL 27 3HG2 VAL 27 -6.061 -2.744 -7.087
229 H GLU 28 H GLU 28 -7.892 -7.701 -8.249
230 HA GLU 28 HA GLU 28 -10.430 -6.693 -7.278
231 1HB GLU 28 2HB GLU 28 -9.768 -8.163 -9.422
232 2HB GLU 28 1HB GLU 28 -10.234 -9.472 -8.335
233 1HG GLU 28 2HG GLU 28 -12.381 -9.033 -8.855
234 2HG GLU 28 1HG GLU 28 -12.209 -7.502 -7.997
235 H ARG 29 H ARG 29 -8.423 -9.521 -6.442
236 HA ARG 29 HA ARG 29 -10.199 -9.920 -4.065
237 1HB ARG 29 2HB ARG 29 -8.371 -12.075 -5.064
238 2HB ARG 29 1HB ARG 29 -9.920 -12.219 -4.231
239 1HG ARG 29 2HG ARG 29 -10.682 -10.926 -6.511
240 2HG ARG 29 1HG ARG 29 -9.354 -11.918 -7.117
241 1HD ARG 29 2HD ARG 29 -11.142 -13.397 -7.314
242 2HD ARG 29 1HD ARG 29 -10.528 -13.817 -5.715
243 HE ARG 29 HE ARG 29 -12.451 -11.778 -5.350
244 1HH1 ARG 29 1HH1 ARG 29 -14.023 -13.079 -7.439
245 2HH1 ARG 29 2HH1 ARG 29 -14.842 -14.352 -6.597
246 1HH2 ARG 29 1HH2 ARG 29 -12.729 -14.256 -3.849
247 2HH2 ARG 29 2HH2 ARG 29 -14.111 -15.018 -4.565
248 H ALA 30 H ALA 30 -7.531 -8.349 -4.657
249 HA ALA 30 HA ALA 30 -5.740 -9.632 -2.693
250 1HB ALA 30 1HB ALA 30 -5.300 -6.934 -3.964
251 2HB ALA 30 2HB ALA 30 -5.009 -8.421 -4.867
252 3HB ALA 30 3HB ALA 30 -4.098 -8.091 -3.393
253 H VAL 31 H VAL 31 -5.555 -8.983 -0.591
254 HA VAL 31 HA VAL 31 -7.101 -6.552 0.221
255 HB VAL 31 HB VAL 31 -7.205 -7.712 2.484
256 1HG1 VAL 31 1HG1 VAL 31 -9.271 -8.270 1.791
257 2HG1 VAL 31 2HG1 VAL 31 -8.623 -9.659 0.917
258 3HG1 VAL 31 3HG1 VAL 31 -8.735 -8.089 0.120
259 1HG2 VAL 31 1HG2 VAL 31 -6.623 -10.251 0.988
260 2HG2 VAL 31 2HG2 VAL 31 -6.532 -9.934 2.721
261 3HG2 VAL 31 3HG2 VAL 31 -5.280 -9.314 1.645
262 HA PRO 32 HA PRO 32 -3.371 -4.910 1.833
263 1HB PRO 32 2HB PRO 32 -4.344 -3.481 3.974
264 2HB PRO 32 1HB PRO 32 -4.531 -2.972 2.287
265 1HG PRO 32 2HG PRO 32 -6.561 -4.154 4.128
266 2HG PRO 32 1HG PRO 32 -6.795 -3.070 2.746
267 1HD PRO 32 2HD PRO 32 -7.241 -5.859 2.741
268 2HD PRO 32 1HD PRO 32 -7.108 -4.826 1.301
269 H LYS 33 H LYS 33 -5.351 -6.965 3.789
270 HA LYS 33 HA LYS 33 -3.645 -7.047 6.122
271 1HB LYS 33 2HB LYS 33 -5.927 -7.775 6.354
272 2HB LYS 33 1HB LYS 33 -5.750 -8.934 5.037
273 1HG LYS 33 2HG LYS 33 -3.798 -9.256 7.230
274 2HG LYS 33 1HG LYS 33 -5.474 -9.581 7.676
275 1HD LYS 33 2HD LYS 33 -5.427 -10.901 5.345
276 2HD LYS 33 1HD LYS 33 -3.713 -11.019 5.744
277 1HE LYS 33 2HE LYS 33 -4.871 -11.620 8.155
278 2HE LYS 33 1HE LYS 33 -6.033 -12.314 7.024
279 1HZ LYS 33 1HZ LYS 33 -4.571 -14.025 7.170
280 2HZ LYS 33 2HZ LYS 33 -3.236 -13.024 7.489
281 3HZ LYS 33 3HZ LYS 33 -3.831 -13.172 5.905
282 H LYS 34 H LYS 34 -4.118 -9.352 3.418
283 HA LYS 34 HA LYS 34 -1.842 -10.959 4.179
284 1HB LYS 34 2HB LYS 34 -3.554 -10.741 1.710
285 2HB LYS 34 1HB LYS 34 -2.080 -11.711 1.680
286 1HG LYS 34 2HG LYS 34 -3.588 -12.263 4.086
287 2HG LYS 34 1HG LYS 34 -4.607 -12.490 2.664
288 1HD LYS 34 2HD LYS 34 -2.052 -13.588 2.055
289 2HD LYS 34 1HD LYS 34 -2.520 -14.195 3.645
290 1HE LYS 34 2HE LYS 34 -4.805 -14.714 2.603
291 2HE LYS 34 1HE LYS 34 -4.036 -14.437 1.040
292 1HZ LYS 34 1HZ LYS 34 -4.081 -16.805 2.086
293 2HZ LYS 34 2HZ LYS 34 -2.742 -16.237 2.964
294 3HZ LYS 34 3HZ LYS 34 -2.701 -16.261 1.265
295 H ILE 35 H ILE 35 -2.316 -8.256 1.927
296 HA ILE 35 HA ILE 35 0.306 -8.372 0.780
297 HB ILE 35 HB ILE 35 -1.664 -6.106 1.137
298 1HG1 ILE 35 2HG1 ILE 35 -0.909 -8.074 -0.994
299 2HG1 ILE 35 1HG1 ILE 35 -2.503 -7.489 -0.532
300 1HG2 ILE 35 1HG2 ILE 35 0.689 -5.250 1.145
301 2HG2 ILE 35 2HG2 ILE 35 -0.209 -4.746 -0.286
302 3HG2 ILE 35 3HG2 ILE 35 0.958 -6.063 -0.397
303 1HD1 ILE 35 1HD1 ILE 35 -2.351 -6.248 -2.432
304 2HD1 ILE 35 2HD1 ILE 35 -0.597 -6.402 -2.504
305 3HD1 ILE 35 3HD1 ILE 35 -1.333 -5.188 -1.458
306 H LEU 36 H LEU 36 -0.905 -7.227 3.847
307 HA LEU 36 HA LEU 36 1.130 -5.430 4.608
308 1HB LEU 36 2HB LEU 36 -0.705 -5.802 6.126
309 2HB LEU 36 1HB LEU 36 -0.347 -7.525 6.228
310 HG LEU 36 HG LEU 36 1.914 -6.889 7.193
311 1HD1 LEU 36 1HD1 LEU 36 0.726 -4.246 7.922
312 2HD1 LEU 36 2HD1 LEU 36 1.420 -4.416 6.309
313 3HD1 LEU 36 3HD1 LEU 36 2.420 -4.702 7.734
314 1HD2 LEU 36 1HD2 LEU 36 1.024 -6.556 9.430
315 2HD2 LEU 36 2HD2 LEU 36 -0.063 -7.636 8.557
316 3HD2 LEU 36 3HD2 LEU 36 -0.493 -5.940 8.776
317 H ASP 37 H ASP 37 1.121 -8.959 4.424
318 HA ASP 37 HA ASP 37 3.772 -9.255 5.595
319 1HB ASP 37 2HB ASP 37 2.178 -11.132 3.816
320 2HB ASP 37 1HB ASP 37 3.632 -11.568 4.715
321 H LEU 38 H LEU 38 2.440 -8.866 2.356
322 HA LEU 38 HA LEU 38 4.748 -9.460 0.819
323 1HB LEU 38 2HB LEU 38 2.353 -7.684 0.431
324 2HB LEU 38 1HB LEU 38 3.677 -7.620 -0.734
325 HG LEU 38 HG LEU 38 2.676 -10.316 0.062
326 1HD1 LEU 38 1HD1 LEU 38 0.951 -8.259 -0.974
327 2HD1 LEU 38 2HD1 LEU 38 0.565 -9.945 -0.629
328 3HD1 LEU 38 3HD1 LEU 38 1.191 -9.490 -2.213
329 1HD2 LEU 38 1HD2 LEU 38 4.419 -10.415 -1.495
330 2HD2 LEU 38 2HD2 LEU 38 3.889 -8.953 -2.327
331 3HD2 LEU 38 3HD2 LEU 38 3.004 -10.461 -2.547
332 H MET 39 H MET 39 3.803 -6.528 2.566
333 HA MET 39 HA MET 39 6.046 -4.975 1.518
334 1HB MET 39 2HB MET 39 4.413 -4.348 3.986
335 2HB MET 39 1HB MET 39 5.271 -3.219 2.937
336 1HG MET 39 2HG MET 39 2.919 -4.925 2.069
337 2HG MET 39 1HG MET 39 2.811 -3.224 2.521
338 1HE MET 39 1HE MET 39 4.437 -1.197 0.039
339 2HE MET 39 2HE MET 39 3.790 -1.459 1.656
340 3HE MET 39 3HE MET 39 2.703 -1.458 0.270
341 H ASN 40 H ASN 40 5.245 -6.393 4.708
342 HA ASN 40 HA ASN 40 6.655 -7.030 6.470
343 1HB ASN 40 2HB ASN 40 7.576 -8.461 4.595
344 2HB ASN 40 1HB ASN 40 8.789 -7.208 4.326
345 1HD2 ASN 40 1HD2 ASN 40 7.453 -8.447 7.432
346 2HD2 ASN 40 2HD2 ASN 40 8.954 -8.941 8.054
347 H VAL 41 H VAL 41 6.503 -4.161 5.544
348 HA VAL 41 HA VAL 41 9.173 -3.083 6.106
349 HB VAL 41 HB VAL 41 6.474 -1.747 5.748
350 1HG1 VAL 41 1HG1 VAL 41 8.624 0.053 5.325
351 2HG1 VAL 41 2HG1 VAL 41 8.929 -0.744 6.868
352 3HG1 VAL 41 3HG1 VAL 41 7.410 0.112 6.603
353 1HG2 VAL 41 1HG2 VAL 41 8.905 -2.091 3.967
354 2HG2 VAL 41 2HG2 VAL 41 7.576 -0.992 3.601
355 3HG2 VAL 41 3HG2 VAL 41 7.284 -2.729 3.688
356 H ASP 42 H ASP 42 9.761 -1.983 8.027
357 HA ASP 42 HA ASP 42 8.348 -2.884 10.425
358 1HB ASP 42 2HB ASP 42 10.169 -1.806 11.645
359 2HB ASP 42 1HB ASP 42 10.838 -2.746 10.311
360 H LYS 43 H LYS 43 7.248 -1.550 11.905
361 HA LYS 43 HA LYS 43 6.143 0.380 12.688
362 1HB LYS 43 2HB LYS 43 8.305 1.525 11.822
363 2HB LYS 43 1HB LYS 43 7.341 1.947 10.406
364 1HG LYS 43 2HG LYS 43 6.366 3.630 11.532
365 2HG LYS 43 1HG LYS 43 5.814 2.508 12.775
366 1HD LYS 43 2HD LYS 43 8.643 3.574 12.701
367 2HD LYS 43 1HD LYS 43 7.347 4.394 13.572
368 1HE LYS 43 2HE LYS 43 7.914 1.466 14.017
369 2HE LYS 43 1HE LYS 43 8.796 2.712 14.900
370 1HZ LYS 43 1HZ LYS 43 7.082 2.910 16.260
371 2HZ LYS 43 2HZ LYS 43 6.227 1.720 15.401
372 3HZ LYS 43 3HZ LYS 43 6.079 3.356 14.967
373 H LEU 44 H LEU 44 5.728 -1.188 9.822
374 HA LEU 44 HA LEU 44 3.450 0.533 8.965
375 1HB LEU 44 2HB LEU 44 5.183 -1.477 7.599
376 2HB LEU 44 1HB LEU 44 3.515 -1.322 7.044
377 HG LEU 44 HG LEU 44 5.161 0.184 5.852
378 1HD1 LEU 44 1HD1 LEU 44 3.395 1.535 5.468
379 2HD1 LEU 44 2HD1 LEU 44 3.443 2.164 7.114
380 3HD1 LEU 44 3HD1 LEU 44 2.560 0.678 6.763
381 1HD2 LEU 44 1HD2 LEU 44 6.332 0.627 8.166
382 2HD2 LEU 44 2HD2 LEU 44 5.107 1.885 8.332
383 3HD2 LEU 44 3HD2 LEU 44 6.238 1.929 6.979
384 H THR 45 H THR 45 1.362 -0.205 9.124
385 HA THR 45 HA THR 45 1.000 -2.954 10.251
386 HB THR 45 HB THR 45 -0.786 -2.154 11.595
387 HG1 THR 45 1HG THR 45 -0.695 0.435 10.598
388 1HG2 THR 45 1HG2 THR 45 1.239 -1.484 12.631
389 2HG2 THR 45 2HG2 THR 45 0.213 -0.050 12.682
390 3HG2 THR 45 3HG2 THR 45 1.490 -0.177 11.472
391 H ARG 46 H ARG 46 -1.392 -3.698 9.826
392 HA ARG 46 HA ARG 46 -1.773 -3.635 6.933
393 1HB ARG 46 2HB ARG 46 -3.761 -5.094 7.472
394 2HB ARG 46 1HB ARG 46 -2.228 -5.710 8.090
395 1HG ARG 46 2HG ARG 46 -2.769 -5.249 10.290
396 2HG ARG 46 1HG ARG 46 -3.824 -3.902 9.857
397 1HD ARG 46 2HD ARG 46 -5.564 -5.390 9.131
398 2HD ARG 46 1HD ARG 46 -4.495 -6.789 9.239
399 HE ARG 46 HE ARG 46 -5.341 -5.243 11.658
400 1HH1 ARG 46 1HH2 ARG 46 -5.939 -8.048 9.935
401 2HH1 ARG 46 2HH2 ARG 46 -5.701 -9.132 11.264
402 1HH2 ARG 46 1HH1 ARG 46 -4.483 -6.679 13.391
403 2HH2 ARG 46 2HH1 ARG 46 -4.877 -8.357 13.222
404 H GLU 47 H GLU 47 -2.977 -1.859 9.635
405 HA GLU 47 HA GLU 47 -5.478 -1.027 8.405
406 1HB GLU 47 2HB GLU 47 -3.933 -0.341 10.854
407 2HB GLU 47 1HB GLU 47 -5.026 0.901 10.240
408 1HG GLU 47 2HG GLU 47 -6.923 -0.471 10.483
409 2HG GLU 47 1HG GLU 47 -5.959 -1.947 10.551
410 H ASN 48 H ASN 48 -2.240 0.421 8.758
411 HA ASN 48 HA ASN 48 -2.852 2.910 7.507
412 1HB ASN 48 2HB ASN 48 -0.363 1.341 8.028
413 2HB ASN 48 1HB ASN 48 -0.273 2.662 6.862
414 1HD2 ASN 48 1HD2 ASN 48 -1.608 4.735 7.801
415 2HD2 ASN 48 2HD2 ASN 48 -1.200 5.142 9.397
416 H VAL 49 H VAL 49 -1.923 -0.237 6.169
417 HA VAL 49 HA VAL 49 -1.789 0.831 3.438
418 HB VAL 49 HB VAL 49 -1.803 -2.046 4.400
419 1HG1 VAL 49 1HG1 VAL 49 -0.531 -2.246 2.135
420 2HG1 VAL 49 2HG1 VAL 49 -1.281 -0.696 1.758
421 3HG1 VAL 49 3HG1 VAL 49 -2.288 -2.103 2.099
422 1HG2 VAL 49 1HG2 VAL 49 0.341 -1.748 5.031
423 2HG2 VAL 49 2HG2 VAL 49 0.149 -0.018 4.745
424 3HG2 VAL 49 3HG2 VAL 49 0.740 -1.065 3.455
425 H ALA 50 H ALA 50 -4.137 -0.652 5.538
426 HA ALA 50 HA ALA 50 -5.959 -1.432 3.410
427 1HB ALA 50 1HB ALA 50 -6.657 -0.929 6.313
428 2HB ALA 50 2HB ALA 50 -5.900 -2.422 5.757
429 3HB ALA 50 3HB ALA 50 -7.500 -1.973 5.168
430 H SER 51 H SER 51 -5.236 1.501 5.089
431 HA SER 51 HA SER 51 -7.810 2.776 4.575
432 1HB SER 51 2HB SER 51 -5.124 3.986 5.295
433 2HB SER 51 1HB SER 51 -6.667 4.837 5.314
434 HG SER 51 HG SER 51 -7.345 3.119 6.811
435 H HIS 52 H HIS 52 -4.555 2.940 3.120
436 HA HIS 52 HA HIS 52 -5.216 4.850 1.101
437 1HB HIS 52 2HB HIS 52 -2.887 4.072 1.767
438 2HB HIS 52 1HB HIS 52 -3.192 2.614 0.823
439 HD1 HIS 52 1HD HIS 52 -4.094 6.221 -0.014
440 HD2 HIS 52 2HD HIS 52 -1.779 3.096 -1.514
441 HE1 HIS 52 1HE HIS 52 -3.187 7.008 -2.244
442 H LEU 53 H LEU 53 -5.820 1.419 1.372
443 HA LEU 53 HA LEU 53 -6.389 1.024 -1.457
444 1HB LEU 53 2HB LEU 53 -5.722 -0.872 -0.057
445 2HB LEU 53 1HB LEU 53 -7.128 -0.627 0.978
446 HG LEU 53 HG LEU 53 -8.426 -0.813 -1.339
447 1HD1 LEU 53 1HD1 LEU 53 -7.376 -2.104 -2.982
448 2HD1 LEU 53 2HD1 LEU 53 -6.178 -2.742 -1.856
449 3HD1 LEU 53 3HD1 LEU 53 -6.053 -1.077 -2.426
450 1HD2 LEU 53 1HD2 LEU 53 -9.145 -2.435 0.095
451 2HD2 LEU 53 2HD2 LEU 53 -7.514 -2.784 0.668
452 3HD2 LEU 53 3HD2 LEU 53 -8.085 -3.484 -0.847
453 H GLN 54 H GLN 54 -8.213 2.003 1.376
454 HA GLN 54 HA GLN 54 -10.817 1.635 0.119
455 1HB GLN 54 2HB GLN 54 -9.856 3.007 2.629
456 2HB GLN 54 1HB GLN 54 -11.530 3.154 2.090
457 1HG GLN 54 2HG GLN 54 -11.649 0.640 2.012
458 2HG GLN 54 1HG GLN 54 -10.051 0.596 2.755
459 1HE2 GLN 54 1HE2 GLN 54 -12.776 2.835 3.459
460 2HE2 GLN 54 2HE2 GLN 54 -12.916 2.391 5.091
461 H LYS 55 H LYS 55 -8.417 4.171 0.262
462 HA LYS 55 HA LYS 55 -10.244 6.265 -0.647
463 1HB LYS 55 2HB LYS 55 -7.289 6.050 -0.166
464 2HB LYS 55 1HB LYS 55 -7.905 7.388 -1.138
465 1HG LYS 55 2HG LYS 55 -9.496 6.971 1.272
466 2HG LYS 55 1HG LYS 55 -7.805 7.302 1.646
467 1HD LYS 55 2HD LYS 55 -7.839 9.362 0.435
468 2HD LYS 55 1HD LYS 55 -9.392 8.976 -0.309
469 1HE LYS 55 2HE LYS 55 -9.223 9.083 2.680
470 2HE LYS 55 1HE LYS 55 -9.274 10.600 1.780
471 1HZ LYS 55 1HZ LYS 55 -11.213 8.409 1.324
472 2HZ LYS 55 2HZ LYS 55 -11.320 10.025 0.813
473 3HZ LYS 55 3HZ LYS 55 -11.482 9.639 2.460
474 H PHE 56 H PHE 56 -7.834 4.120 -2.132
475 HA PHE 56 HA PHE 56 -7.926 5.312 -4.741
476 1HB PHE 56 2HB PHE 56 -6.204 3.639 -3.886
477 2HB PHE 56 1HB PHE 56 -7.418 2.385 -4.142
478 HD1 PHE 56 1HD PHE 56 -6.728 1.157 -6.020
479 HD2 PHE 56 2HD PHE 56 -6.626 5.449 -6.143
480 HE1 PHE 56 1HE PHE 56 -6.136 1.072 -8.426
481 HE2 PHE 56 2HE PHE 56 -6.035 5.365 -8.550
482 HZ PHE 56 HZ PHE 56 -5.790 3.177 -9.692
483 H ARG 57 H ARG 57 -9.771 2.623 -3.278
484 HA ARG 57 HA ARG 57 -11.269 1.929 -5.599
485 1HB ARG 57 2HB ARG 57 -11.192 0.949 -3.087
486 2HB ARG 57 1HB ARG 57 -12.667 1.909 -2.961
487 1HG ARG 57 2HG ARG 57 -13.831 0.540 -4.359
488 2HG ARG 57 1HG ARG 57 -12.448 0.295 -5.427
489 1HD ARG 57 2HD ARG 57 -11.462 -1.285 -3.838
490 2HD ARG 57 1HD ARG 57 -12.785 -1.003 -2.707
491 HE ARG 57 HE ARG 57 -13.202 -2.242 -5.399
492 1HH1 ARG 57 1HH2 ARG 57 -13.142 -2.729 -2.061
493 2HH1 ARG 57 2HH2 ARG 57 -14.641 -3.594 -1.990
494 1HH2 ARG 57 1HH1 ARG 57 -15.444 -3.004 -5.311
495 2HH2 ARG 57 2HH1 ARG 57 -15.944 -3.750 -3.830
496 H VAL 58 H VAL 58 -11.801 4.407 -3.108
497 HA VAL 58 HA VAL 58 -14.326 5.328 -4.135
498 HB VAL 58 HB VAL 58 -12.176 6.699 -2.491
499 1HG1 VAL 58 1HG1 VAL 58 -14.967 7.656 -3.202
500 2HG1 VAL 58 2HG1 VAL 58 -13.454 8.385 -3.741
501 3HG1 VAL 58 3HG1 VAL 58 -13.896 8.427 -2.034
502 1HG2 VAL 58 1HG2 VAL 58 -13.279 4.894 -1.313
503 2HG2 VAL 58 2HG2 VAL 58 -14.864 5.449 -1.850
504 3HG2 VAL 58 3HG2 VAL 58 -13.935 6.413 -0.702
505 H ALA 59 H ALA 59 -10.978 5.936 -4.940
506 HA ALA 59 HA ALA 59 -11.614 8.152 -6.757
507 1HB ALA 59 1HB ALA 59 -9.075 6.624 -6.144
508 2HB ALA 59 2HB ALA 59 -9.472 8.278 -5.681
509 3HB ALA 59 3HB ALA 59 -9.157 7.887 -7.371
510 H LEU 60 H LEU 60 -11.688 4.770 -6.847
511 HA LEU 60 HA LEU 60 -11.123 4.563 -9.735
512 1HB LEU 60 2HB LEU 60 -11.541 2.664 -7.469
513 2HB LEU 60 1HB LEU 60 -11.934 2.094 -9.090
514 HG LEU 60 HG LEU 60 -9.319 3.485 -8.551
515 1HD1 LEU 60 1HD1 LEU 60 -10.181 0.790 -7.686
516 2HD1 LEU 60 2HD1 LEU 60 -8.852 1.790 -7.098
517 3HD1 LEU 60 3HD1 LEU 60 -8.655 0.838 -8.569
518 1HD2 LEU 60 1HD2 LEU 60 -9.635 1.216 -10.444
519 2HD2 LEU 60 2HD2 LEU 60 -8.750 2.730 -10.640
520 3HD2 LEU 60 3HD2 LEU 60 -10.500 2.696 -10.861
521 H LYS 61 H LYS 61 -13.698 5.643 -8.044
522 HA LYS 61 HA LYS 61 -15.732 4.198 -9.661
523 1HB LYS 61 2HB LYS 61 -17.366 5.057 -8.162
524 2HB LYS 61 1HB LYS 61 -15.996 4.624 -7.140
525 1HG LYS 61 2HG LYS 61 -15.216 7.002 -7.263
526 2HG LYS 61 1HG LYS 61 -16.690 7.397 -8.150
527 1HD LYS 61 2HD LYS 61 -17.915 6.271 -6.140
528 2HD LYS 61 1HD LYS 61 -16.393 6.522 -5.285
529 1HE LYS 61 2HE LYS 61 -17.700 8.467 -4.839
530 2HE LYS 61 1HE LYS 61 -16.526 8.957 -6.060
531 1HZ LYS 61 1HZ LYS 61 -18.942 7.860 -7.162
532 2HZ LYS 61 2HZ LYS 61 -18.121 9.293 -7.558
533 3HZ LYS 61 3HZ LYS 61 -19.206 9.266 -6.252
534 H LYS 62 H LYS 62 -14.076 7.242 -9.445
535 HA LYS 62 HA LYS 62 -15.534 8.151 -11.861
536 1HB LYS 62 2HB LYS 62 -16.438 9.101 -9.531
537 2HB LYS 62 1HB LYS 62 -15.075 10.201 -9.738
538 1HG LYS 62 2HG LYS 62 -16.369 11.414 -11.126
539 2HG LYS 62 1HG LYS 62 -16.293 10.070 -12.264
540 1HD LYS 62 2HD LYS 62 -18.539 9.935 -12.016
541 2HD LYS 62 1HD LYS 62 -18.197 9.226 -10.438
542 1HE LYS 62 2HE LYS 62 -19.224 10.985 -9.481
543 2HE LYS 62 1HE LYS 62 -17.943 12.021 -10.109
544 1HZ LYS 62 1HZ LYS 62 -20.552 12.184 -10.787
545 2HZ LYS 62 2HZ LYS 62 -19.907 11.287 -12.077
546 3HZ LYS 62 3HZ LYS 62 -19.269 12.815 -11.698
547 H VAL 63 H VAL 63 -13.227 7.364 -12.469
548 HA VAL 63 HA VAL 63 -11.096 9.292 -11.805
549 HB VAL 63 HB VAL 63 -9.648 7.808 -13.112
550 1HG1 VAL 63 1HG1 VAL 63 -11.563 6.534 -11.158
551 2HG1 VAL 63 2HG1 VAL 63 -9.897 7.044 -10.888
552 3HG1 VAL 63 3HG1 VAL 63 -10.233 5.614 -11.864
553 1HG2 VAL 63 1HG2 VAL 63 -11.128 7.219 -14.930
554 2HG2 VAL 63 2HG2 VAL 63 -12.272 6.464 -13.820
555 3HG2 VAL 63 3HG2 VAL 63 -10.695 5.725 -14.098
556 H SER 64 H SER 64 -10.070 10.619 -13.392
557 HA SER 64 HA SER 64 -10.071 12.067 -15.237
558 1HB SER 64 2HB SER 64 -9.589 10.182 -16.605
559 2HB SER 64 1HB SER 64 -11.215 9.531 -16.417
560 HG SER 64 HG SER 64 -11.305 10.516 -18.339
Start of MODEL 4
1 1H THR 1 1HT THR 1 24.683 17.672 5.006
2 2H THR 1 2HT THR 1 24.649 19.161 5.823
3 3H THR 1 3HT THR 1 24.537 19.116 4.128
4 HA THR 1 HA THR 1 22.425 19.355 5.717
5 HB THR 1 HB THR 1 21.349 17.944 3.638
6 HG1 THR 1 1HG THR 1 23.046 17.362 2.514
7 1HG2 THR 1 1HG2 THR 1 21.020 20.350 4.255
8 2HG2 THR 1 2HG2 THR 1 21.155 20.087 2.516
9 3HG2 THR 1 3HG2 THR 1 22.528 20.727 3.420
10 H ALA 2 H ALA 2 20.486 17.713 5.823
11 HA ALA 2 HA ALA 2 21.303 15.543 7.534
12 1HB ALA 2 1HB ALA 2 18.913 14.927 7.520
13 2HB ALA 2 2HB ALA 2 18.630 16.044 6.185
14 3HB ALA 2 3HB ALA 2 19.111 16.661 7.766
15 H GLN 3 H GLN 3 22.127 13.631 6.856
16 HA GLN 3 HA GLN 3 21.159 12.533 4.248
17 1HB GLN 3 2HB GLN 3 23.988 12.739 5.293
18 2HB GLN 3 1HB GLN 3 23.538 11.568 4.051
19 1HG GLN 3 2HG GLN 3 22.775 13.337 2.578
20 2HG GLN 3 1HG GLN 3 23.021 14.547 3.839
21 1HE2 GLN 3 1HE2 GLN 3 24.751 15.767 2.975
22 2HE2 GLN 3 2HE2 GLN 3 26.250 15.101 2.537
23 H LYS 4 H LYS 4 19.695 11.372 5.827
24 HA LYS 4 HA LYS 4 21.054 8.889 6.751
25 1HB LYS 4 2HB LYS 4 19.589 10.865 8.403
26 2HB LYS 4 1HB LYS 4 19.154 9.177 8.679
27 1HG LYS 4 2HG LYS 4 22.015 9.397 8.440
28 2HG LYS 4 1HG LYS 4 21.437 10.544 9.650
29 1HD LYS 4 2HD LYS 4 19.950 8.344 10.278
30 2HD LYS 4 1HD LYS 4 21.438 7.589 9.707
31 1HE LYS 4 2HE LYS 4 22.186 9.798 11.336
32 2HE LYS 4 1HE LYS 4 20.957 8.891 12.216
33 1HZ LYS 4 1HZ LYS 4 22.217 6.940 12.095
34 2HZ LYS 4 2HZ LYS 4 23.342 8.148 12.496
35 3HZ LYS 4 3HZ LYS 4 23.251 7.562 10.903
36 H LYS 5 H LYS 5 20.012 8.231 4.642
37 HA LYS 5 HA LYS 5 18.329 7.052 3.525
38 1HB LYS 5 2HB LYS 5 18.152 5.588 5.385
39 2HB LYS 5 1HB LYS 5 17.405 6.827 6.393
40 1HG LYS 5 2HG LYS 5 15.915 6.271 3.920
41 2HG LYS 5 1HG LYS 5 16.028 4.883 5.005
42 1HD LYS 5 2HD LYS 5 15.473 7.333 6.473
43 2HD LYS 5 1HD LYS 5 14.247 7.028 5.241
44 1HE LYS 5 2HE LYS 5 15.114 4.689 6.860
45 2HE LYS 5 1HE LYS 5 14.145 5.908 7.689
46 1HZ LYS 5 1HZ LYS 5 13.438 4.426 5.219
47 2HZ LYS 5 2HZ LYS 5 12.552 5.751 5.808
48 3HZ LYS 5 3HZ LYS 5 12.674 4.329 6.730
49 HA PRO 6 HA PRO 6 15.462 10.370 2.801
50 1HB PRO 6 2HB PRO 6 14.288 9.248 0.583
51 2HB PRO 6 1HB PRO 6 15.866 10.053 0.553
52 1HG PRO 6 2HG PRO 6 15.244 7.141 0.436
53 2HG PRO 6 1HG PRO 6 16.651 8.013 -0.192
54 1HD PRO 6 2HD PRO 6 16.572 6.489 2.193
55 2HD PRO 6 1HD PRO 6 17.855 7.621 1.717
56 H ARG 7 H ARG 7 13.477 10.680 3.747
57 HA ARG 7 HA ARG 7 12.010 8.807 5.153
58 1HB ARG 7 2HB ARG 7 10.064 10.307 4.926
59 2HB ARG 7 1HB ARG 7 11.539 11.233 5.208
60 1HG ARG 7 2HG ARG 7 11.706 11.367 2.626
61 2HG ARG 7 1HG ARG 7 10.011 10.879 2.633
62 1HD ARG 7 2HD ARG 7 9.654 13.133 2.782
63 2HD ARG 7 1HD ARG 7 9.935 12.842 4.498
64 HE ARG 7 HE ARG 7 12.416 13.350 3.095
65 1HH1 ARG 7 1HH2 ARG 7 10.616 14.376 5.638
66 2HH1 ARG 7 2HH2 ARG 7 10.913 16.071 5.441
67 1HH2 ARG 7 1HH1 ARG 7 12.369 15.720 2.313
68 2HH2 ARG 7 2HH1 ARG 7 11.905 16.832 3.557
69 H VAL 8 H VAL 8 10.696 7.109 4.635
70 HA VAL 8 HA VAL 8 9.698 6.935 1.826
71 HB VAL 8 HB VAL 8 11.259 4.923 3.416
72 1HG1 VAL 8 1HG1 VAL 8 9.446 3.500 3.077
73 2HG1 VAL 8 2HG1 VAL 8 10.325 3.274 1.564
74 3HG1 VAL 8 3HG1 VAL 8 8.929 4.349 1.622
75 1HG2 VAL 8 1HG2 VAL 8 11.678 6.449 1.122
76 2HG2 VAL 8 2HG2 VAL 8 11.313 4.840 0.497
77 3HG2 VAL 8 3HG2 VAL 8 12.643 5.064 1.634
78 H LEU 9 H LEU 9 7.675 7.751 2.731
79 HA LEU 9 HA LEU 9 6.248 5.788 4.472
80 1HB LEU 9 2HB LEU 9 6.495 8.287 5.126
81 2HB LEU 9 1HB LEU 9 5.317 8.589 3.850
82 HG LEU 9 HG LEU 9 3.950 6.686 5.035
83 1HD1 LEU 9 1HD1 LEU 9 5.987 7.522 7.097
84 2HD1 LEU 9 2HD1 LEU 9 5.472 5.895 6.655
85 3HD1 LEU 9 3HD1 LEU 9 4.394 6.939 7.580
86 1HD2 LEU 9 1HD2 LEU 9 4.080 9.540 5.303
87 2HD2 LEU 9 2HD2 LEU 9 3.668 8.851 6.873
88 3HD2 LEU 9 3HD2 LEU 9 2.671 8.491 5.464
89 H TRP 10 H TRP 10 6.283 7.423 1.401
90 HA TRP 10 HA TRP 10 4.524 5.524 0.163
91 1HB TRP 10 2HB TRP 10 3.349 8.091 1.167
92 2HB TRP 10 1HB TRP 10 2.815 7.491 -0.404
93 HD1 TRP 10 HD TRP 10 1.465 7.457 2.767
94 HE1 TRP 10 1HE TRP 10 0.246 5.271 3.385
95 HE3 TRP 10 3HE TRP 10 3.420 4.329 -0.765
96 HZ2 TRP 10 2HZ TRP 10 0.117 2.554 2.498
97 HZ3 TRP 10 3HZ TRP 10 2.733 1.949 -0.856
98 HH2 TRP 10 HH TRP 10 1.085 1.059 0.770
99 H THR 11 H THR 11 6.782 5.933 -0.883
100 HA THR 11 HA THR 11 6.571 8.199 -2.826
101 HB THR 11 HB THR 11 9.104 7.747 -3.076
102 HG1 THR 11 1HG THR 11 8.777 6.642 -0.506
103 1HG2 THR 11 1HG2 THR 11 8.058 8.757 -0.416
104 2HG2 THR 11 2HG2 THR 11 8.108 9.703 -1.904
105 3HG2 THR 11 3HG2 THR 11 9.610 9.164 -1.151
106 H HIS 12 H HIS 12 7.903 7.601 -4.919
107 HA HIS 12 HA HIS 12 6.533 5.630 -6.354
108 1HB HIS 12 2HB HIS 12 8.712 5.622 -7.803
109 2HB HIS 12 1HB HIS 12 7.780 7.114 -7.672
110 HD1 HIS 12 1HD HIS 12 10.842 5.436 -6.178
111 HD2 HIS 12 2HD HIS 12 9.150 9.235 -6.478
112 HE1 HIS 12 1HE HIS 12 12.555 7.059 -5.255
113 H GLU 13 H GLU 13 9.283 5.263 -4.204
114 HA GLU 13 HA GLU 13 10.005 2.603 -5.086
115 1HB GLU 13 2HB GLU 13 11.411 4.265 -3.698
116 2HB GLU 13 1HB GLU 13 10.473 3.705 -2.315
117 1HG GLU 13 2HG GLU 13 11.129 1.347 -2.925
118 2HG GLU 13 1HG GLU 13 12.217 2.025 -4.137
119 H LEU 14 H LEU 14 8.269 3.766 -2.180
120 HA LEU 14 HA LEU 14 7.478 1.172 -1.297
121 1HB LEU 14 2HB LEU 14 6.633 3.969 -0.723
122 2HB LEU 14 1HB LEU 14 5.519 2.686 -0.259
123 HG LEU 14 HG LEU 14 8.425 2.931 0.561
124 1HD1 LEU 14 1HD1 LEU 14 5.853 3.017 2.171
125 2HD1 LEU 14 2HD1 LEU 14 6.828 4.424 1.748
126 3HD1 LEU 14 3HD1 LEU 14 7.486 3.185 2.817
127 1HD2 LEU 14 1HD2 LEU 14 7.113 0.943 2.063
128 2HD2 LEU 14 2HD2 LEU 14 8.359 0.692 0.840
129 3HD2 LEU 14 3HD2 LEU 14 6.656 0.637 0.387
130 H HIS 15 H HIS 15 6.288 3.155 -3.863
131 HA HIS 15 HA HIS 15 3.636 1.924 -3.947
132 1HB HIS 15 2HB HIS 15 4.298 4.268 -4.814
133 2HB HIS 15 1HB HIS 15 4.957 3.419 -6.212
134 HD1 HIS 15 1HD HIS 15 2.935 4.802 -7.458
135 HD2 HIS 15 2HD HIS 15 1.795 1.664 -4.961
136 HE1 HIS 15 1HE HIS 15 0.551 4.221 -8.081
137 H ASN 16 H ASN 16 6.793 1.279 -5.286
138 HA ASN 16 HA ASN 16 5.870 -0.445 -7.426
139 1HB ASN 16 2HB ASN 16 8.555 -0.232 -6.029
140 2HB ASN 16 1HB ASN 16 8.257 -1.214 -7.464
141 1HD2 ASN 16 1HD2 ASN 16 6.551 0.532 -8.923
142 2HD2 ASN 16 2HD2 ASN 16 7.424 1.925 -9.345
143 H LYS 17 H LYS 17 6.758 -0.918 -4.038
144 HA LYS 17 HA LYS 17 6.646 -3.830 -4.235
145 1HB LYS 17 2HB LYS 17 6.468 -2.155 -1.718
146 2HB LYS 17 1HB LYS 17 7.018 -3.825 -1.863
147 1HG LYS 17 2HG LYS 17 8.800 -2.817 -3.501
148 2HG LYS 17 1HG LYS 17 8.420 -1.297 -2.690
149 1HD LYS 17 2HD LYS 17 9.330 -1.974 -0.690
150 2HD LYS 17 1HD LYS 17 8.907 -3.666 -0.951
151 1HE LYS 17 2HE LYS 17 10.678 -3.675 -2.798
152 2HE LYS 17 1HE LYS 17 11.211 -2.122 -2.155
153 1HZ LYS 17 1HZ LYS 17 10.896 -3.884 -0.012
154 2HZ LYS 17 2HZ LYS 17 12.334 -3.198 -0.603
155 3HZ LYS 17 3HZ LYS 17 11.794 -4.694 -1.202
156 H PHE 18 H PHE 18 4.489 -1.245 -3.103
157 HA PHE 18 HA PHE 18 2.413 -3.080 -2.241
158 1HB PHE 18 2HB PHE 18 2.501 -0.859 -1.270
159 2HB PHE 18 1HB PHE 18 2.378 -0.114 -2.864
160 HD1 PHE 18 1HD PHE 18 0.283 0.697 -3.456
161 HD2 PHE 18 2HD PHE 18 0.546 -2.721 -0.867
162 HE1 PHE 18 1HE PHE 18 -2.191 0.617 -3.311
163 HE2 PHE 18 2HE PHE 18 -1.929 -2.800 -0.721
164 HZ PHE 18 HZ PHE 18 -3.297 -1.131 -1.943
165 H LEU 19 H LEU 19 3.352 -1.675 -5.282
166 HA LEU 19 HA LEU 19 0.738 -2.122 -6.531
167 1HB LEU 19 2HB LEU 19 3.411 -1.117 -7.430
168 2HB LEU 19 1HB LEU 19 2.299 -1.731 -8.652
169 HG LEU 19 HG LEU 19 1.411 0.277 -6.578
170 1HD1 LEU 19 1HD1 LEU 19 1.719 1.861 -8.677
171 2HD1 LEU 19 2HD1 LEU 19 2.957 0.684 -9.115
172 3HD1 LEU 19 3HD1 LEU 19 3.071 1.556 -7.586
173 1HD2 LEU 19 1HD2 LEU 19 0.380 -0.843 -9.170
174 2HD2 LEU 19 2HD2 LEU 19 -0.098 0.785 -8.686
175 3HD2 LEU 19 3HD2 LEU 19 -0.476 -0.589 -7.648
176 H ALA 20 H ALA 20 3.887 -3.763 -6.422
177 HA ALA 20 HA ALA 20 3.058 -5.795 -8.345
178 1HB ALA 20 1HB ALA 20 5.206 -6.695 -6.654
179 2HB ALA 20 2HB ALA 20 5.491 -5.012 -7.099
180 3HB ALA 20 3HB ALA 20 5.270 -6.231 -8.354
181 H ALA 21 H ALA 21 2.816 -5.335 -4.905
182 HA ALA 21 HA ALA 21 2.315 -8.138 -4.293
183 1HB ALA 21 1HB ALA 21 3.138 -6.391 -2.637
184 2HB ALA 21 2HB ALA 21 1.781 -7.367 -2.078
185 3HB ALA 21 3HB ALA 21 1.505 -5.724 -2.651
186 H VAL 22 H VAL 22 0.326 -5.265 -4.930
187 HA VAL 22 HA VAL 22 -2.201 -6.566 -4.411
188 HB VAL 22 HB VAL 22 -1.687 -4.262 -6.310
189 1HG1 VAL 22 1HG1 VAL 22 -3.959 -5.336 -6.253
190 2HG1 VAL 22 2HG1 VAL 22 -3.959 -3.638 -5.776
191 3HG1 VAL 22 3HG1 VAL 22 -4.064 -4.899 -4.548
192 1HG2 VAL 22 1HG2 VAL 22 -2.483 -3.684 -3.530
193 2HG2 VAL 22 2HG2 VAL 22 -1.324 -2.850 -4.567
194 3HG2 VAL 22 3HG2 VAL 22 -0.847 -4.315 -3.709
195 H ASP 23 H ASP 23 -0.364 -5.887 -7.375
196 HA ASP 23 HA ASP 23 -2.161 -7.095 -9.217
197 1HB ASP 23 2HB ASP 23 -0.002 -5.695 -9.609
198 2HB ASP 23 1HB ASP 23 0.829 -7.241 -9.508
199 H HIS 24 H HIS 24 0.525 -8.437 -7.335
200 HA HIS 24 HA HIS 24 0.560 -11.048 -8.417
201 1HB HIS 24 2HB HIS 24 2.246 -10.224 -6.815
202 2HB HIS 24 1HB HIS 24 1.028 -10.211 -5.539
203 HD1 HIS 24 1HD HIS 24 -0.097 -12.644 -5.032
204 HD2 HIS 24 2HD HIS 24 3.506 -12.676 -7.130
205 HE1 HIS 24 1HE HIS 24 0.808 -15.004 -4.865
206 H LEU 25 H LEU 25 -1.738 -9.528 -6.269
207 HA LEU 25 HA LEU 25 -3.093 -12.166 -5.883
208 1HB LEU 25 2HB LEU 25 -3.719 -9.606 -4.407
209 2HB LEU 25 1HB LEU 25 -4.120 -11.259 -3.939
210 HG LEU 25 HG LEU 25 -1.233 -10.586 -4.308
211 1HD1 LEU 25 1HD1 LEU 25 -1.251 -8.945 -2.768
212 2HD1 LEU 25 2HD1 LEU 25 -1.849 -10.114 -1.590
213 3HD1 LEU 25 3HD1 LEU 25 -2.987 -9.143 -2.526
214 1HD2 LEU 25 1HD2 LEU 25 -1.040 -12.184 -2.429
215 2HD2 LEU 25 2HD2 LEU 25 -1.983 -12.875 -3.749
216 3HD2 LEU 25 3HD2 LEU 25 -2.799 -12.257 -2.313
217 H GLY 26 H GLY 26 -3.254 -9.375 -7.761
218 1HA GLY 26 2HA GLY 26 -4.917 -8.906 -9.404
219 2HA GLY 26 1HA GLY 26 -5.992 -10.059 -8.607
220 H VAL 27 H VAL 27 -5.333 -6.780 -9.028
221 HA VAL 27 HA VAL 27 -6.014 -5.577 -6.583
222 HB VAL 27 HB VAL 27 -5.299 -4.201 -8.427
223 1HG1 VAL 27 1HG1 VAL 27 -6.049 -5.431 -10.327
224 2HG1 VAL 27 2HG1 VAL 27 -6.927 -3.903 -10.387
225 3HG1 VAL 27 3HG1 VAL 27 -7.731 -5.360 -9.802
226 1HG2 VAL 27 1HG2 VAL 27 -7.060 -3.316 -6.777
227 2HG2 VAL 27 2HG2 VAL 27 -8.234 -3.558 -8.070
228 3HG2 VAL 27 3HG2 VAL 27 -6.894 -2.433 -8.294
229 H GLU 28 H GLU 28 -7.993 -7.460 -8.685
230 HA GLU 28 HA GLU 28 -10.547 -6.355 -7.871
231 1HB GLU 28 2HB GLU 28 -9.844 -7.961 -9.896
232 2HB GLU 28 1HB GLU 28 -10.344 -9.201 -8.744
233 1HG GLU 28 2HG GLU 28 -12.385 -7.423 -8.467
234 2HG GLU 28 1HG GLU 28 -11.975 -7.178 -10.165
235 H ARG 29 H ARG 29 -8.711 -9.259 -6.870
236 HA ARG 29 HA ARG 29 -10.532 -9.451 -4.505
237 1HB ARG 29 2HB ARG 29 -8.768 -11.556 -5.796
238 2HB ARG 29 1HB ARG 29 -9.753 -11.810 -4.355
239 1HG ARG 29 2HG ARG 29 -11.789 -11.407 -5.585
240 2HG ARG 29 1HG ARG 29 -10.885 -10.888 -7.008
241 1HD ARG 29 2HD ARG 29 -9.816 -13.227 -6.977
242 2HD ARG 29 1HD ARG 29 -11.094 -13.667 -5.844
243 HE ARG 29 HE ARG 29 -12.639 -12.739 -7.775
244 1HH1 ARG 29 1HH2 ARG 29 -10.560 -15.339 -7.668
245 2HH1 ARG 29 2HH2 ARG 29 -10.536 -15.632 -9.375
246 1HH2 ARG 29 1HH1 ARG 29 -12.226 -12.710 -10.168
247 2HH2 ARG 29 2HH1 ARG 29 -11.480 -14.144 -10.790
248 H ALA 30 H ALA 30 -7.843 -7.920 -5.097
249 HA ALA 30 HA ALA 30 -6.031 -9.079 -3.116
250 1HB ALA 30 1HB ALA 30 -5.137 -7.862 -5.059
251 2HB ALA 30 2HB ALA 30 -4.653 -7.073 -3.558
252 3HB ALA 30 3HB ALA 30 -5.961 -6.395 -4.530
253 H VAL 31 H VAL 31 -5.877 -8.520 -0.988
254 HA VAL 31 HA VAL 31 -7.579 -6.246 -0.043
255 HB VAL 31 HB VAL 31 -7.526 -7.690 2.162
256 1HG1 VAL 31 1HG1 VAL 31 -9.694 -7.646 1.531
257 2HG1 VAL 31 2HG1 VAL 31 -9.388 -9.163 0.685
258 3HG1 VAL 31 3HG1 VAL 31 -9.260 -7.631 -0.179
259 1HG2 VAL 31 1HG2 VAL 31 -5.969 -9.389 1.400
260 2HG2 VAL 31 2HG2 VAL 31 -6.954 -9.710 -0.028
261 3HG2 VAL 31 3HG2 VAL 31 -7.555 -10.140 1.573
262 HA PRO 32 HA PRO 32 -3.958 -4.645 1.833
263 1HB PRO 32 2HB PRO 32 -5.039 -3.444 4.063
264 2HB PRO 32 1HB PRO 32 -5.195 -2.790 2.423
265 1HG PRO 32 2HG PRO 32 -7.236 -4.202 4.084
266 2HG PRO 32 1HG PRO 32 -7.467 -2.998 2.806
267 1HD PRO 32 2HD PRO 32 -7.826 -5.781 2.519
268 2HD PRO 32 1HD PRO 32 -7.673 -4.615 1.187
269 H LYS 33 H LYS 33 -6.024 -6.761 3.708
270 HA LYS 33 HA LYS 33 -4.272 -7.081 5.971
271 1HB LYS 33 2HB LYS 33 -6.549 -7.752 6.237
272 2HB LYS 33 1HB LYS 33 -6.495 -8.762 4.795
273 1HG LYS 33 2HG LYS 33 -4.499 -9.419 6.885
274 2HG LYS 33 1HG LYS 33 -6.180 -9.746 7.307
275 1HD LYS 33 2HD LYS 33 -5.992 -10.666 4.695
276 2HD LYS 33 1HD LYS 33 -4.442 -11.129 5.400
277 1HE LYS 33 2HE LYS 33 -5.782 -12.953 5.975
278 2HE LYS 33 1HE LYS 33 -5.919 -11.944 7.415
279 1HZ LYS 33 1HZ LYS 33 -7.994 -12.876 5.949
280 2HZ LYS 33 2HZ LYS 33 -7.827 -11.286 5.371
281 3HZ LYS 33 3HZ LYS 33 -8.067 -11.570 7.030
282 H LYS 34 H LYS 34 -4.868 -9.149 3.109
283 HA LYS 34 HA LYS 34 -2.680 -10.928 3.704
284 1HB LYS 34 2HB LYS 34 -4.277 -10.364 1.198
285 2HB LYS 34 1HB LYS 34 -2.949 -11.524 1.213
286 1HG LYS 34 2HG LYS 34 -5.050 -11.719 3.340
287 2HG LYS 34 1HG LYS 34 -5.419 -12.321 1.723
288 1HD LYS 34 2HD LYS 34 -2.921 -13.365 2.120
289 2HD LYS 34 1HD LYS 34 -3.578 -13.407 3.757
290 1HE LYS 34 2HE LYS 34 -4.633 -15.309 3.148
291 2HE LYS 34 1HE LYS 34 -5.692 -14.290 2.174
292 1HZ LYS 34 1HZ LYS 34 -3.216 -14.773 0.860
293 2HZ LYS 34 2HZ LYS 34 -4.799 -15.073 0.319
294 3HZ LYS 34 3HZ LYS 34 -3.983 -16.232 1.256
295 H ILE 35 H ILE 35 -2.985 -8.029 1.655
296 HA ILE 35 HA ILE 35 -0.335 -8.223 0.574
297 HB ILE 35 HB ILE 35 -2.223 -5.894 0.944
298 1HG1 ILE 35 2HG1 ILE 35 -1.469 -7.820 -1.217
299 2HG1 ILE 35 1HG1 ILE 35 -3.046 -7.146 -0.824
300 1HG2 ILE 35 1HG2 ILE 35 0.109 -5.073 1.092
301 2HG2 ILE 35 2HG2 ILE 35 -0.641 -4.571 -0.423
302 3HG2 ILE 35 3HG2 ILE 35 0.499 -5.916 -0.408
303 1HD1 ILE 35 1HD1 ILE 35 -2.686 -5.904 -2.706
304 2HD1 ILE 35 2HD1 ILE 35 -0.935 -6.101 -2.621
305 3HD1 ILE 35 3HD1 ILE 35 -1.737 -4.895 -1.614
306 H LEU 36 H LEU 36 -1.603 -7.126 3.636
307 HA LEU 36 HA LEU 36 0.504 -5.474 4.527
308 1HB LEU 36 2HB LEU 36 -1.450 -5.803 5.932
309 2HB LEU 36 1HB LEU 36 -1.121 -7.532 6.056
310 HG LEU 36 HG LEU 36 1.045 -7.003 7.175
311 1HD1 LEU 36 1HD1 LEU 36 0.343 -4.282 7.908
312 2HD1 LEU 36 2HD1 LEU 36 0.532 -4.435 6.161
313 3HD1 LEU 36 3HD1 LEU 36 1.852 -4.899 7.234
314 1HD2 LEU 36 1HD2 LEU 36 -0.578 -5.546 9.024
315 2HD2 LEU 36 2HD2 LEU 36 -0.157 -7.259 9.063
316 3HD2 LEU 36 3HD2 LEU 36 -1.607 -6.727 8.214
317 H ASP 37 H ASP 37 0.285 -8.990 4.248
318 HA ASP 37 HA ASP 37 2.868 -9.468 5.512
319 1HB ASP 37 2HB ASP 37 1.365 -11.270 3.587
320 2HB ASP 37 1HB ASP 37 2.596 -11.753 4.756
321 H LEU 38 H LEU 38 1.673 -8.922 2.246
322 HA LEU 38 HA LEU 38 3.992 -9.647 0.775
323 1HB LEU 38 2HB LEU 38 1.730 -7.715 0.328
324 2HB LEU 38 1HB LEU 38 3.095 -7.732 -0.790
325 HG LEU 38 HG LEU 38 1.883 -10.360 -0.060
326 1HD1 LEU 38 1HD1 LEU 38 0.360 -8.169 -1.170
327 2HD1 LEU 38 2HD1 LEU 38 -0.175 -9.806 -0.793
328 3HD1 LEU 38 3HD1 LEU 38 0.529 -9.450 -2.370
329 1HD2 LEU 38 1HD2 LEU 38 2.966 -11.025 -1.946
330 2HD2 LEU 38 2HD2 LEU 38 3.835 -9.497 -1.799
331 3HD2 LEU 38 3HD2 LEU 38 2.430 -9.614 -2.858
332 H MET 39 H MET 39 3.179 -6.712 2.571
333 HA MET 39 HA MET 39 5.544 -5.278 1.613
334 1HB MET 39 2HB MET 39 3.808 -4.599 4.001
335 2HB MET 39 1HB MET 39 4.832 -3.504 3.071
336 1HG MET 39 2HG MET 39 2.516 -5.014 1.842
337 2HG MET 39 1HG MET 39 2.346 -3.397 2.528
338 1HE MET 39 1HE MET 39 4.407 -1.715 2.096
339 2HE MET 39 2HE MET 39 2.931 -1.216 1.273
340 3HE MET 39 3HE MET 39 4.476 -1.117 0.433
341 H ASN 40 H ASN 40 4.527 -6.666 4.756
342 HA ASN 40 HA ASN 40 5.826 -7.286 6.614
343 1HB ASN 40 2HB ASN 40 6.633 -8.785 4.548
344 2HB ASN 40 1HB ASN 40 8.131 -7.890 4.808
345 1HD2 ASN 40 1HD2 ASN 40 9.455 -8.587 6.520
346 2HD2 ASN 40 2HD2 ASN 40 8.983 -9.713 7.697
347 H VAL 41 H VAL 41 6.086 -4.526 5.404
348 HA VAL 41 HA VAL 41 8.861 -3.750 5.925
349 HB VAL 41 HB VAL 41 6.439 -1.956 5.615
350 1HG1 VAL 41 1HG1 VAL 41 8.162 -0.563 6.300
351 2HG1 VAL 41 2HG1 VAL 41 8.443 -0.570 4.559
352 3HG1 VAL 41 3HG1 VAL 41 9.413 -1.599 5.612
353 1HG2 VAL 41 1HG2 VAL 41 6.939 -1.906 3.234
354 2HG2 VAL 41 2HG2 VAL 41 6.701 -3.584 3.722
355 3HG2 VAL 41 3HG2 VAL 41 8.332 -2.964 3.468
356 H ASP 42 H ASP 42 9.465 -2.249 7.651
357 HA ASP 42 HA ASP 42 8.038 -2.868 10.156
358 1HB ASP 42 2HB ASP 42 9.966 -1.616 11.196
359 2HB ASP 42 1HB ASP 42 10.451 -3.014 10.236
360 H LYS 43 H LYS 43 7.079 -1.274 11.486
361 HA LYS 43 HA LYS 43 6.151 0.827 12.031
362 1HB LYS 43 2HB LYS 43 8.427 1.599 10.906
363 2HB LYS 43 1HB LYS 43 7.353 2.092 9.597
364 1HG LYS 43 2HG LYS 43 7.107 3.999 10.808
365 2HG LYS 43 1HG LYS 43 6.002 3.032 11.787
366 1HD LYS 43 2HD LYS 43 7.610 4.108 13.262
367 2HD LYS 43 1HD LYS 43 7.938 2.376 13.233
368 1HE LYS 43 2HE LYS 43 10.080 3.150 12.873
369 2HE LYS 43 1HE LYS 43 9.521 3.097 11.201
370 1HZ LYS 43 1HZ LYS 43 10.600 5.240 12.093
371 2HZ LYS 43 2HZ LYS 43 9.094 5.513 12.832
372 3HZ LYS 43 3HZ LYS 43 9.202 5.364 11.143
373 H LEU 44 H LEU 44 5.568 -1.041 9.392
374 HA LEU 44 HA LEU 44 3.430 0.755 8.338
375 1HB LEU 44 2HB LEU 44 4.942 -1.575 7.189
376 2HB LEU 44 1HB LEU 44 3.349 -1.167 6.552
377 HG LEU 44 HG LEU 44 5.745 0.684 6.720
378 1HD1 LEU 44 1HD1 LEU 44 6.219 -0.223 4.709
379 2HD1 LEU 44 2HD1 LEU 44 4.745 0.535 4.108
380 3HD1 LEU 44 3HD1 LEU 44 4.706 -1.128 4.694
381 1HD2 LEU 44 1HD2 LEU 44 2.843 1.126 6.027
382 2HD2 LEU 44 2HD2 LEU 44 4.098 2.144 5.321
383 3HD2 LEU 44 3HD2 LEU 44 3.887 2.092 7.071
384 H THR 45 H THR 45 1.449 0.378 9.193
385 HA THR 45 HA THR 45 0.865 -2.331 10.284
386 HB THR 45 HB THR 45 -1.216 -0.993 11.172
387 HG1 THR 45 1HG THR 45 -0.404 0.834 9.772
388 1HG2 THR 45 1HG2 THR 45 -0.081 -0.702 13.179
389 2HG2 THR 45 2HG2 THR 45 1.381 -0.117 12.385
390 3HG2 THR 45 3HG2 THR 45 0.987 -1.835 12.351
391 H ARG 46 H ARG 46 -1.474 -3.060 9.926
392 HA ARG 46 HA ARG 46 -2.017 -3.025 7.066
393 1HB ARG 46 2HB ARG 46 -2.409 -5.009 8.579
394 2HB ARG 46 1HB ARG 46 -3.768 -4.130 9.280
395 1HG ARG 46 2HG ARG 46 -4.578 -3.858 6.828
396 2HG ARG 46 1HG ARG 46 -3.450 -5.167 6.468
397 1HD ARG 46 2HD ARG 46 -5.712 -6.048 6.931
398 2HD ARG 46 1HD ARG 46 -4.556 -6.594 8.145
399 HE ARG 46 HE ARG 46 -6.136 -4.165 8.772
400 1HH1 ARG 46 1HH1 ARG 46 -6.627 -7.479 8.692
401 2HH1 ARG 46 2HH1 ARG 46 -7.017 -7.642 10.371
402 1HH2 ARG 46 1HH2 ARG 46 -6.152 -4.379 11.162
403 2HH2 ARG 46 2HH2 ARG 46 -6.749 -5.888 11.770
404 H GLU 47 H GLU 47 -3.093 -1.209 9.813
405 HA GLU 47 HA GLU 47 -5.596 -0.321 8.602
406 1HB GLU 47 2HB GLU 47 -4.010 0.780 10.945
407 2HB GLU 47 1HB GLU 47 -5.638 1.291 10.494
408 1HG GLU 47 2HG GLU 47 -6.593 -0.756 11.099
409 2HG GLU 47 1HG GLU 47 -5.065 -1.624 10.953
410 H ASN 48 H ASN 48 -2.262 0.780 8.666
411 HA ASN 48 HA ASN 48 -2.775 3.456 7.726
412 1HB ASN 48 2HB ASN 48 -0.386 1.661 7.895
413 2HB ASN 48 1HB ASN 48 -0.291 3.076 6.845
414 1HD2 ASN 48 1HD2 ASN 48 -1.502 5.099 8.142
415 2HD2 ASN 48 2HD2 ASN 48 -0.868 5.340 9.698
416 H VAL 49 H VAL 49 -2.030 0.391 6.072
417 HA VAL 49 HA VAL 49 -2.196 1.668 3.435
418 HB VAL 49 HB VAL 49 -2.119 -1.289 4.101
419 1HG1 VAL 49 1HG1 VAL 49 -1.941 -1.628 1.868
420 2HG1 VAL 49 2HG1 VAL 49 -0.808 -0.290 1.675
421 3HG1 VAL 49 3HG1 VAL 49 -2.544 0.020 1.696
422 1HG2 VAL 49 1HG2 VAL 49 -0.223 0.027 5.114
423 2HG2 VAL 49 2HG2 VAL 49 0.202 0.568 3.491
424 3HG2 VAL 49 3HG2 VAL 49 0.297 -1.144 3.900
425 H ALA 50 H ALA 50 -4.302 -0.016 5.638
426 HA ALA 50 HA ALA 50 -6.308 -0.767 3.702
427 1HB ALA 50 1HB ALA 50 -6.723 -1.940 5.622
428 2HB ALA 50 2HB ALA 50 -7.719 -0.537 6.011
429 3HB ALA 50 3HB ALA 50 -6.083 -0.665 6.658
430 H SER 51 H SER 51 -5.458 2.212 5.239
431 HA SER 51 HA SER 51 -8.079 3.458 4.863
432 1HB SER 51 2HB SER 51 -5.428 4.829 5.362
433 2HB SER 51 1HB SER 51 -7.038 5.471 5.674
434 HG SER 51 HG SER 51 -6.954 4.518 7.533
435 H HIS 52 H HIS 52 -4.920 3.538 3.221
436 HA HIS 52 HA HIS 52 -5.824 5.427 1.202
437 1HB HIS 52 2HB HIS 52 -3.400 4.985 1.937
438 2HB HIS 52 1HB HIS 52 -3.483 3.534 0.937
439 HD1 HIS 52 1HD HIS 52 -1.511 5.127 -0.308
440 HD2 HIS 52 2HD HIS 52 -5.514 6.165 -0.841
441 HE1 HIS 52 1HE HIS 52 -1.600 6.603 -2.363
442 H LEU 53 H LEU 53 -5.817 1.944 1.560
443 HA LEU 53 HA LEU 53 -6.400 1.446 -1.266
444 1HB LEU 53 2HB LEU 53 -5.218 -0.243 0.089
445 2HB LEU 53 1HB LEU 53 -6.619 -0.375 1.151
446 HG LEU 53 HG LEU 53 -7.992 -1.038 -0.845
447 1HD1 LEU 53 1HD1 LEU 53 -5.446 -0.403 -2.152
448 2HD1 LEU 53 2HD1 LEU 53 -7.062 -0.532 -2.846
449 3HD1 LEU 53 3HD1 LEU 53 -6.082 -1.980 -2.619
450 1HD2 LEU 53 1HD2 LEU 53 -7.368 -3.289 -0.691
451 2HD2 LEU 53 2HD2 LEU 53 -6.646 -2.618 0.772
452 3HD2 LEU 53 3HD2 LEU 53 -5.645 -2.910 -0.651
453 H GLN 54 H GLN 54 -8.200 2.146 1.621
454 HA GLN 54 HA GLN 54 -10.729 1.085 0.612
455 1HB GLN 54 2HB GLN 54 -9.843 2.638 3.014
456 2HB GLN 54 1HB GLN 54 -11.552 2.680 2.576
457 1HG GLN 54 2HG GLN 54 -11.461 0.137 2.468
458 2HG GLN 54 1HG GLN 54 -9.872 0.250 3.225
459 1HE2 GLN 54 1HE2 GLN 54 -13.317 0.492 3.802
460 2HE2 GLN 54 2HE2 GLN 54 -13.214 0.798 5.469
461 H LYS 55 H LYS 55 -9.146 4.257 0.787
462 HA LYS 55 HA LYS 55 -11.451 5.668 -0.300
463 1HB LYS 55 2HB LYS 55 -8.627 6.357 0.397
464 2HB LYS 55 1HB LYS 55 -9.473 7.411 -0.737
465 1HG LYS 55 2HG LYS 55 -10.929 8.177 0.851
466 2HG LYS 55 1HG LYS 55 -11.008 6.620 1.675
467 1HD LYS 55 2HD LYS 55 -8.557 7.112 2.381
468 2HD LYS 55 1HD LYS 55 -8.922 8.779 1.937
469 1HE LYS 55 2HE LYS 55 -10.926 7.404 3.649
470 2HE LYS 55 1HE LYS 55 -9.384 7.795 4.409
471 1HZ LYS 55 1HZ LYS 55 -10.959 9.606 4.642
472 2HZ LYS 55 2HZ LYS 55 -11.136 9.704 2.955
473 3HZ LYS 55 3HZ LYS 55 -9.647 10.083 3.680
474 H PHE 56 H PHE 56 -8.670 4.002 -1.610
475 HA PHE 56 HA PHE 56 -8.902 5.202 -4.262
476 1HB PHE 56 2HB PHE 56 -6.764 4.235 -3.370
477 2HB PHE 56 1HB PHE 56 -7.501 2.634 -3.449
478 HD1 PHE 56 1HD PHE 56 -6.304 1.546 -5.176
479 HD2 PHE 56 2HD PHE 56 -7.881 5.488 -5.824
480 HE1 PHE 56 1HE PHE 56 -5.711 1.388 -7.579
481 HE2 PHE 56 2HE PHE 56 -7.288 5.330 -8.228
482 HZ PHE 56 HZ PHE 56 -6.203 3.281 -9.105
483 H ARG 57 H ARG 57 -9.805 2.050 -2.818
484 HA ARG 57 HA ARG 57 -10.948 0.926 -5.172
485 1HB ARG 57 2HB ARG 57 -11.354 0.516 -2.224
486 2HB ARG 57 1HB ARG 57 -12.503 -0.214 -3.346
487 1HG ARG 57 2HG ARG 57 -9.658 -0.561 -4.077
488 2HG ARG 57 1HG ARG 57 -10.154 -1.388 -2.600
489 1HD ARG 57 2HD ARG 57 -12.162 -2.251 -3.956
490 2HD ARG 57 1HD ARG 57 -11.282 -1.706 -5.384
491 HE ARG 57 HE ARG 57 -9.444 -3.279 -4.678
492 1HH1 ARG 57 1HH2 ARG 57 -12.683 -4.087 -4.613
493 2HH1 ARG 57 2HH2 ARG 57 -12.492 -5.540 -3.688
494 1HH2 ARG 57 1HH1 ARG 57 -9.154 -4.952 -2.956
495 2HH2 ARG 57 2HH1 ARG 57 -10.495 -6.029 -2.750
496 H VAL 58 H VAL 58 -12.331 3.031 -2.661
497 HA VAL 58 HA VAL 58 -14.991 3.091 -3.758
498 HB VAL 58 HB VAL 58 -13.447 5.019 -2.001
499 1HG1 VAL 58 1HG1 VAL 58 -16.146 5.253 -3.273
500 2HG1 VAL 58 2HG1 VAL 58 -14.966 6.512 -2.910
501 3HG1 VAL 58 3HG1 VAL 58 -15.952 5.828 -1.617
502 1HG2 VAL 58 1HG2 VAL 58 -14.147 3.647 -0.357
503 2HG2 VAL 58 2HG2 VAL 58 -14.889 2.593 -1.561
504 3HG2 VAL 58 3HG2 VAL 58 -15.822 3.907 -0.846
505 H ALA 59 H ALA 59 -12.056 4.981 -4.301
506 HA ALA 59 HA ALA 59 -13.312 6.845 -6.146
507 1HB ALA 59 1HB ALA 59 -11.056 7.035 -4.767
508 2HB ALA 59 2HB ALA 59 -11.207 7.813 -6.342
509 3HB ALA 59 3HB ALA 59 -10.372 6.265 -6.198
510 H LEU 60 H LEU 60 -12.326 3.609 -6.323
511 HA LEU 60 HA LEU 60 -11.858 3.709 -9.254
512 1HB LEU 60 2HB LEU 60 -11.281 1.767 -7.059
513 2HB LEU 60 1HB LEU 60 -11.549 1.111 -8.672
514 HG LEU 60 HG LEU 60 -9.534 3.256 -7.937
515 1HD1 LEU 60 1HD1 LEU 60 -8.365 1.399 -7.322
516 2HD1 LEU 60 2HD1 LEU 60 -8.157 1.181 -9.059
517 3HD1 LEU 60 3HD1 LEU 60 -9.435 0.313 -8.209
518 1HD2 LEU 60 1HD2 LEU 60 -9.806 3.826 -10.121
519 2HD2 LEU 60 2HD2 LEU 60 -10.697 2.349 -10.487
520 3HD2 LEU 60 3HD2 LEU 60 -8.934 2.332 -10.464
521 H LYS 61 H LYS 61 -14.328 3.063 -6.970
522 HA LYS 61 HA LYS 61 -15.818 1.204 -8.683
523 1HB LYS 61 2HB LYS 61 -16.022 1.071 -6.228
524 2HB LYS 61 1HB LYS 61 -16.664 2.714 -6.191
525 1HG LYS 61 2HG LYS 61 -18.704 1.755 -6.389
526 2HG LYS 61 1HG LYS 61 -18.266 1.465 -8.073
527 1HD LYS 61 2HD LYS 61 -18.864 -0.678 -7.314
528 2HD LYS 61 1HD LYS 61 -17.107 -0.681 -7.161
529 1HE LYS 61 2HE LYS 61 -17.193 -0.805 -4.899
530 2HE LYS 61 1HE LYS 61 -18.484 0.392 -4.798
531 1HZ LYS 61 1HZ LYS 61 -20.088 -1.184 -4.936
532 2HZ LYS 61 2HZ LYS 61 -18.876 -2.136 -4.219
533 3HZ LYS 61 3HZ LYS 61 -19.157 -2.231 -5.892
534 H LYS 62 H LYS 62 -15.712 4.655 -8.058
535 HA LYS 62 HA LYS 62 -18.235 5.242 -9.374
536 1HB LYS 62 2HB LYS 62 -16.556 6.671 -7.753
537 2HB LYS 62 1HB LYS 62 -16.169 7.356 -9.331
538 1HG LYS 62 2HG LYS 62 -18.096 8.515 -9.346
539 2HG LYS 62 1HG LYS 62 -19.021 7.032 -9.107
540 1HD LYS 62 2HD LYS 62 -19.447 8.598 -7.264
541 2HD LYS 62 1HD LYS 62 -18.592 7.174 -6.668
542 1HE LYS 62 2HE LYS 62 -16.450 8.639 -7.211
543 2HE LYS 62 1HE LYS 62 -17.590 9.973 -7.030
544 1HZ LYS 62 1HZ LYS 62 -16.690 8.014 -5.040
545 2HZ LYS 62 2HZ LYS 62 -18.253 8.666 -4.895
546 3HZ LYS 62 3HZ LYS 62 -16.897 9.690 -4.886
547 H VAL 63 H VAL 63 -14.860 5.963 -10.358
548 HA VAL 63 HA VAL 63 -15.365 6.709 -13.001
549 HB VAL 63 HB VAL 63 -13.125 6.836 -12.026
550 1HG1 VAL 63 1HG1 VAL 63 -13.433 4.599 -10.799
551 2HG1 VAL 63 2HG1 VAL 63 -11.834 4.916 -11.473
552 3HG1 VAL 63 3HG1 VAL 63 -12.945 3.832 -12.310
553 1HG2 VAL 63 1HG2 VAL 63 -13.037 6.837 -14.392
554 2HG2 VAL 63 2HG2 VAL 63 -13.468 5.130 -14.494
555 3HG2 VAL 63 3HG2 VAL 63 -11.866 5.603 -13.927
556 H SER 64 H SER 64 -16.187 5.642 -14.738
557 HA SER 64 HA SER 64 -16.900 3.876 -16.109
558 1HB SER 64 2HB SER 64 -15.049 2.075 -14.547
559 2HB SER 64 1HB SER 64 -15.536 1.943 -16.235
560 HG SER 64 HG SER 64 -13.371 2.888 -15.677
Start of MODEL 5
1 1H THR 1 1HT THR 1 23.452 7.119 -10.580
2 2H THR 1 2HT THR 1 24.909 7.863 -10.123
3 3H THR 1 3HT THR 1 24.507 7.712 -11.767
4 HA THR 1 HA THR 1 24.004 9.913 -11.338
5 HB THR 1 HB THR 1 21.303 9.173 -10.566
6 HG1 THR 1 1HG THR 1 21.029 7.433 -11.715
7 1HG2 THR 1 1HG2 THR 1 22.771 10.521 -12.738
8 2HG2 THR 1 2HG2 THR 1 21.235 10.946 -11.981
9 3HG2 THR 1 3HG2 THR 1 21.284 9.721 -13.248
10 H ALA 2 H ALA 2 21.914 8.349 -8.901
11 HA ALA 2 HA ALA 2 23.176 9.117 -6.551
12 1HB ALA 2 1HB ALA 2 23.136 11.366 -6.470
13 2HB ALA 2 2HB ALA 2 21.374 11.314 -6.538
14 3HB ALA 2 3HB ALA 2 22.311 11.427 -8.028
15 H GLN 3 H GLN 3 22.038 7.664 -5.353
16 HA GLN 3 HA GLN 3 19.057 7.689 -5.589
17 1HB GLN 3 2HB GLN 3 21.028 5.555 -5.418
18 2HB GLN 3 1HB GLN 3 19.818 5.413 -4.143
19 1HG GLN 3 2HG GLN 3 18.870 6.039 -6.908
20 2HG GLN 3 1HG GLN 3 19.391 4.389 -6.566
21 1HE2 GLN 3 1HE2 GLN 3 16.652 4.931 -7.122
22 2HE2 GLN 3 2HE2 GLN 3 15.749 4.691 -5.705
23 H LYS 4 H LYS 4 17.978 8.514 -3.862
24 HA LYS 4 HA LYS 4 19.100 8.182 -1.147
25 1HB LYS 4 2HB LYS 4 18.778 10.630 -0.671
26 2HB LYS 4 1HB LYS 4 20.078 10.302 -1.817
27 1HG LYS 4 2HG LYS 4 19.055 11.565 -3.369
28 2HG LYS 4 1HG LYS 4 17.624 10.539 -3.276
29 1HD LYS 4 2HD LYS 4 16.821 11.838 -1.333
30 2HD LYS 4 1HD LYS 4 18.244 12.875 -1.443
31 1HE LYS 4 2HE LYS 4 16.545 12.514 -3.883
32 2HE LYS 4 1HE LYS 4 15.970 13.585 -2.605
33 1HZ LYS 4 1HZ LYS 4 17.916 14.098 -4.548
34 2HZ LYS 4 2HZ LYS 4 18.684 14.105 -3.033
35 3HZ LYS 4 3HZ LYS 4 17.360 15.129 -3.322
36 H LYS 5 H LYS 5 17.474 7.949 0.354
37 HA LYS 5 HA LYS 5 14.719 8.774 -0.430
38 1HB LYS 5 2HB LYS 5 13.828 6.628 0.363
39 2HB LYS 5 1HB LYS 5 14.988 6.360 -0.939
40 1HG LYS 5 2HG LYS 5 16.090 4.969 0.449
41 2HG LYS 5 1HG LYS 5 16.534 6.386 1.400
42 1HD LYS 5 2HD LYS 5 14.056 6.027 2.359
43 2HD LYS 5 1HD LYS 5 14.404 4.360 1.898
44 1HE LYS 5 2HE LYS 5 16.717 4.898 3.121
45 2HE LYS 5 1HE LYS 5 15.709 6.067 3.975
46 1HZ LYS 5 1HZ LYS 5 14.404 4.429 4.871
47 2HZ LYS 5 2HZ LYS 5 15.912 3.644 4.842
48 3HZ LYS 5 3HZ LYS 5 14.753 3.308 3.646
49 HA PRO 6 HA PRO 6 15.489 10.211 3.796
50 1HB PRO 6 2HB PRO 6 13.789 12.362 3.572
51 2HB PRO 6 1HB PRO 6 15.479 12.387 3.042
52 1HG PRO 6 2HG PRO 6 12.998 12.227 1.394
53 2HG PRO 6 1HG PRO 6 14.591 12.875 0.966
54 1HD PRO 6 2HD PRO 6 13.573 10.354 0.192
55 2HD PRO 6 1HD PRO 6 15.268 10.874 0.076
56 H ARG 7 H ARG 7 14.394 8.969 5.273
57 HA ARG 7 HA ARG 7 12.610 7.837 6.316
58 1HB ARG 7 2HB ARG 7 12.250 10.595 6.438
59 2HB ARG 7 1HB ARG 7 10.683 9.994 5.894
60 1HG ARG 7 2HG ARG 7 10.266 9.514 8.063
61 2HG ARG 7 1HG ARG 7 11.415 8.187 7.878
62 1HD ARG 7 2HD ARG 7 12.558 9.222 9.548
63 2HD ARG 7 1HD ARG 7 13.099 10.315 8.273
64 HE ARG 7 HE ARG 7 11.179 11.810 8.940
65 1HH1 ARG 7 1HH2 ARG 7 10.156 9.496 10.795
66 2HH1 ARG 7 2HH2 ARG 7 10.520 10.184 12.342
67 1HH2 ARG 7 1HH1 ARG 7 12.590 12.651 11.055
68 2HH2 ARG 7 2HH1 ARG 7 11.897 11.970 12.489
69 H VAL 8 H VAL 8 12.168 6.217 4.743
70 HA VAL 8 HA VAL 8 10.254 6.842 2.588
71 HB VAL 8 HB VAL 8 12.037 4.544 3.285
72 1HG1 VAL 8 1HG1 VAL 8 10.148 3.187 3.049
73 2HG1 VAL 8 2HG1 VAL 8 10.719 3.290 1.384
74 3HG1 VAL 8 3HG1 VAL 8 9.371 4.294 1.918
75 1HG2 VAL 8 1HG2 VAL 8 11.257 5.532 0.553
76 2HG2 VAL 8 2HG2 VAL 8 12.784 4.827 1.081
77 3HG2 VAL 8 3HG2 VAL 8 12.364 6.474 1.550
78 H LEU 9 H LEU 9 8.382 7.336 3.859
79 HA LEU 9 HA LEU 9 7.238 5.037 5.384
80 1HB LEU 9 2HB LEU 9 7.577 7.364 6.464
81 2HB LEU 9 1HB LEU 9 6.229 7.881 5.452
82 HG LEU 9 HG LEU 9 4.944 5.878 6.410
83 1HD1 LEU 9 1HD1 LEU 9 6.403 4.482 7.507
84 2HD1 LEU 9 2HD1 LEU 9 5.987 5.525 8.868
85 3HD1 LEU 9 3HD1 LEU 9 7.479 5.800 7.970
86 1HD2 LEU 9 1HD2 LEU 9 5.530 7.633 8.715
87 2HD2 LEU 9 2HD2 LEU 9 3.999 7.328 7.894
88 3HD2 LEU 9 3HD2 LEU 9 5.145 8.486 7.220
89 H TRP 10 H TRP 10 6.830 7.141 2.651
90 HA TRP 10 HA TRP 10 4.819 5.451 1.469
91 1HB TRP 10 2HB TRP 10 3.948 7.897 2.956
92 2HB TRP 10 1HB TRP 10 3.162 7.550 1.416
93 HD1 TRP 10 HD TRP 10 2.621 6.934 4.884
94 HE1 TRP 10 1HE TRP 10 1.243 4.794 5.303
95 HE3 TRP 10 3HE TRP 10 3.041 4.703 0.310
96 HZ2 TRP 10 2HZ TRP 10 0.427 2.448 3.884
97 HZ3 TRP 10 3HZ TRP 10 1.955 2.519 -0.130
98 HH2 TRP 10 HH TRP 10 0.649 1.390 1.650
99 H THR 11 H THR 11 7.000 5.989 0.221
100 HA THR 11 HA THR 11 6.522 8.405 -1.478
101 HB THR 11 HB THR 11 8.915 8.398 -1.951
102 HG1 THR 11 1HG THR 11 9.086 6.189 -0.191
103 1HG2 THR 11 1HG2 THR 11 8.590 9.665 -0.034
104 2HG2 THR 11 2HG2 THR 11 9.721 8.452 0.566
105 3HG2 THR 11 3HG2 THR 11 7.996 8.292 0.898
106 H HIS 12 H HIS 12 7.577 8.012 -3.769
107 HA HIS 12 HA HIS 12 6.070 6.157 -5.196
108 1HB HIS 12 2HB HIS 12 8.886 7.053 -5.865
109 2HB HIS 12 1HB HIS 12 7.715 6.388 -7.005
110 HD1 HIS 12 1HD HIS 12 5.215 7.844 -6.600
111 HD2 HIS 12 2HD HIS 12 8.873 9.792 -6.148
112 HE1 HIS 12 1HE HIS 12 4.746 10.319 -6.863
113 H GLU 13 H GLU 13 9.031 5.609 -3.395
114 HA GLU 13 HA GLU 13 9.615 3.016 -4.530
115 1HB GLU 13 2HB GLU 13 11.167 4.561 -3.156
116 2HB GLU 13 1HB GLU 13 10.360 3.892 -1.741
117 1HG GLU 13 2HG GLU 13 11.028 1.717 -3.463
118 2HG GLU 13 1HG GLU 13 12.465 2.724 -3.288
119 H LEU 14 H LEU 14 8.139 3.994 -1.421
120 HA LEU 14 HA LEU 14 7.418 1.356 -0.617
121 1HB LEU 14 2HB LEU 14 6.614 4.117 0.160
122 2HB LEU 14 1HB LEU 14 5.548 2.801 0.649
123 HG LEU 14 HG LEU 14 8.532 2.814 1.145
124 1HD1 LEU 14 1HD1 LEU 14 7.811 3.242 3.542
125 2HD1 LEU 14 2HD1 LEU 14 6.211 3.634 2.910
126 3HD1 LEU 14 3HD1 LEU 14 7.604 4.613 2.451
127 1HD2 LEU 14 1HD2 LEU 14 7.077 1.204 2.968
128 2HD2 LEU 14 2HD2 LEU 14 8.166 0.659 1.693
129 3HD2 LEU 14 3HD2 LEU 14 6.443 0.840 1.363
130 H HIS 15 H HIS 15 6.022 3.481 -2.960
131 HA HIS 15 HA HIS 15 3.369 2.267 -2.904
132 1HB HIS 15 2HB HIS 15 3.960 4.634 -3.710
133 2HB HIS 15 1HB HIS 15 4.555 3.863 -5.180
134 HD1 HIS 15 1HD HIS 15 2.439 5.354 -6.178
135 HD2 HIS 15 2HD HIS 15 1.499 1.959 -3.949
136 HE1 HIS 15 1HE HIS 15 0.040 4.770 -6.741
137 H ASN 16 H ASN 16 6.405 1.568 -4.437
138 HA ASN 16 HA ASN 16 5.264 -0.033 -6.589
139 1HB ASN 16 2HB ASN 16 8.017 0.489 -5.526
140 2HB ASN 16 1HB ASN 16 7.762 -0.911 -6.568
141 1HD2 ASN 16 1HD2 ASN 16 9.237 0.476 -8.062
142 2HD2 ASN 16 2HD2 ASN 16 8.465 1.601 -9.071
143 H LYS 17 H LYS 17 6.372 -0.625 -3.302
144 HA LYS 17 HA LYS 17 6.357 -3.527 -3.588
145 1HB LYS 17 2HB LYS 17 6.372 -1.734 -1.141
146 2HB LYS 17 1HB LYS 17 6.528 -3.490 -1.085
147 1HG LYS 17 2HG LYS 17 8.501 -3.237 -2.683
148 2HG LYS 17 1HG LYS 17 8.422 -1.505 -2.359
149 1HD LYS 17 2HD LYS 17 9.097 -1.744 -0.155
150 2HD LYS 17 1HD LYS 17 8.460 -3.384 -0.030
151 1HE LYS 17 2HE LYS 17 10.700 -3.895 -0.178
152 2HE LYS 17 1HE LYS 17 10.327 -3.829 -1.901
153 1HZ LYS 17 1HZ LYS 17 11.028 -1.320 -0.590
154 2HZ LYS 17 2HZ LYS 17 11.392 -1.867 -2.157
155 3HZ LYS 17 3HZ LYS 17 12.282 -2.437 -0.827
156 H PHE 18 H PHE 18 4.132 -1.094 -2.233
157 HA PHE 18 HA PHE 18 2.168 -3.064 -1.415
158 1HB PHE 18 2HB PHE 18 2.210 -0.892 -0.328
159 2HB PHE 18 1HB PHE 18 1.966 -0.074 -1.871
160 HD1 PHE 18 1HD PHE 18 -0.184 0.769 -2.125
161 HD2 PHE 18 2HD PHE 18 0.364 -2.988 -0.115
162 HE1 PHE 18 1HE PHE 18 -2.640 0.553 -1.860
163 HE2 PHE 18 2HE PHE 18 -2.093 -3.203 0.150
164 HZ PHE 18 HZ PHE 18 -3.594 -1.433 -0.723
165 H LEU 19 H LEU 19 2.874 -1.366 -4.385
166 HA LEU 19 HA LEU 19 0.250 -1.939 -5.562
167 1HB LEU 19 2HB LEU 19 2.778 -0.627 -6.464
168 2HB LEU 19 1HB LEU 19 1.703 -1.273 -7.703
169 HG LEU 19 HG LEU 19 0.760 0.560 -5.486
170 1HD1 LEU 19 1HD1 LEU 19 2.300 1.867 -6.769
171 2HD1 LEU 19 2HD1 LEU 19 0.696 2.273 -7.379
172 3HD1 LEU 19 3HD1 LEU 19 1.731 1.170 -8.286
173 1HD2 LEU 19 1HD2 LEU 19 -1.239 -0.141 -6.282
174 2HD2 LEU 19 2HD2 LEU 19 -0.489 -0.940 -7.663
175 3HD2 LEU 19 3HD2 LEU 19 -0.867 0.782 -7.739
176 H ALA 20 H ALA 20 3.487 -3.360 -5.601
177 HA ALA 20 HA ALA 20 2.789 -5.266 -7.702
178 1HB ALA 20 1HB ALA 20 5.101 -4.802 -7.612
179 2HB ALA 20 2HB ALA 20 4.977 -6.377 -6.827
180 3HB ALA 20 3HB ALA 20 5.146 -4.916 -5.852
181 H ALA 21 H ALA 21 2.492 -5.104 -4.249
182 HA ALA 21 HA ALA 21 2.212 -7.993 -3.895
183 1HB ALA 21 1HB ALA 21 1.665 -7.481 -1.611
184 2HB ALA 21 2HB ALA 21 1.263 -5.813 -2.016
185 3HB ALA 21 3HB ALA 21 2.940 -6.355 -2.079
186 H VAL 22 H VAL 22 0.051 -5.193 -4.187
187 HA VAL 22 HA VAL 22 -2.399 -6.650 -3.807
188 HB VAL 22 HB VAL 22 -2.007 -4.186 -5.526
189 1HG1 VAL 22 1HG1 VAL 22 -4.336 -4.796 -3.730
190 2HG1 VAL 22 2HG1 VAL 22 -4.234 -5.544 -5.324
191 3HG1 VAL 22 3HG1 VAL 22 -4.281 -3.788 -5.176
192 1HG2 VAL 22 1HG2 VAL 22 -1.702 -2.888 -3.679
193 2HG2 VAL 22 2HG2 VAL 22 -1.110 -4.385 -2.957
194 3HG2 VAL 22 3HG2 VAL 22 -2.777 -3.875 -2.689
195 H ASP 23 H ASP 23 -0.623 -5.643 -6.718
196 HA ASP 23 HA ASP 23 -2.386 -6.837 -8.621
197 1HB ASP 23 2HB ASP 23 -0.395 -5.202 -8.956
198 2HB ASP 23 1HB ASP 23 0.594 -6.654 -8.999
199 H HIS 24 H HIS 24 0.538 -8.070 -7.016
200 HA HIS 24 HA HIS 24 0.604 -10.600 -8.331
201 1HB HIS 24 2HB HIS 24 2.466 -9.689 -6.950
202 2HB HIS 24 1HB HIS 24 1.495 -9.957 -5.503
203 HD1 HIS 24 1HD HIS 24 2.865 -11.847 -4.474
204 HD2 HIS 24 2HD HIS 24 1.763 -12.623 -8.418
205 HE1 HIS 24 1HE HIS 24 3.455 -14.269 -4.919
206 H LEU 25 H LEU 25 -1.459 -9.382 -5.804
207 HA LEU 25 HA LEU 25 -2.462 -12.151 -5.300
208 1HB LEU 25 2HB LEU 25 -3.165 -9.686 -3.704
209 2HB LEU 25 1HB LEU 25 -3.298 -11.376 -3.216
210 HG LEU 25 HG LEU 25 -0.593 -10.347 -3.966
211 1HD1 LEU 25 1HD1 LEU 25 -2.077 -8.871 -2.201
212 2HD1 LEU 25 2HD1 LEU 25 -0.319 -9.006 -2.148
213 3HD1 LEU 25 3HD1 LEU 25 -1.313 -10.039 -1.122
214 1HD2 LEU 25 1HD2 LEU 25 0.136 -12.120 -2.667
215 2HD2 LEU 25 2HD2 LEU 25 -1.434 -12.751 -3.166
216 3HD2 LEU 25 3HD2 LEU 25 -1.244 -12.020 -1.572
217 H GLY 26 H GLY 26 -3.148 -9.447 -7.139
218 1HA GLY 26 2HA GLY 26 -5.055 -9.178 -8.548
219 2HA GLY 26 1HA GLY 26 -5.909 -10.381 -7.576
220 H VAL 27 H VAL 27 -5.541 -7.063 -8.153
221 HA VAL 27 HA VAL 27 -6.040 -5.872 -5.649
222 HB VAL 27 HB VAL 27 -5.584 -4.648 -7.793
223 1HG1 VAL 27 1HG1 VAL 27 -7.609 -6.130 -8.822
224 2HG1 VAL 27 2HG1 VAL 27 -7.084 -4.598 -9.521
225 3HG1 VAL 27 3HG1 VAL 27 -8.480 -4.644 -8.444
226 1HG2 VAL 27 1HG2 VAL 27 -6.762 -3.719 -5.620
227 2HG2 VAL 27 2HG2 VAL 27 -8.172 -3.606 -6.675
228 3HG2 VAL 27 3HG2 VAL 27 -6.697 -2.725 -7.076
229 H GLU 28 H GLU 28 -8.080 -7.899 -7.537
230 HA GLU 28 HA GLU 28 -10.636 -6.958 -6.626
231 1HB GLU 28 2HB GLU 28 -10.124 -9.864 -7.185
232 2HB GLU 28 1HB GLU 28 -11.524 -8.878 -7.610
233 1HG GLU 28 2HG GLU 28 -10.615 -8.620 -9.655
234 2HG GLU 28 1HG GLU 28 -9.350 -7.652 -8.899
235 H ARG 29 H ARG 29 -8.482 -9.531 -5.399
236 HA ARG 29 HA ARG 29 -10.078 -9.479 -2.868
237 1HB ARG 29 2HB ARG 29 -8.718 -11.703 -4.356
238 2HB ARG 29 1HB ARG 29 -8.896 -11.819 -2.605
239 1HG ARG 29 2HG ARG 29 -10.958 -12.648 -3.048
240 2HG ARG 29 1HG ARG 29 -11.401 -10.977 -3.395
241 1HD ARG 29 2HD ARG 29 -10.507 -11.457 -5.782
242 2HD ARG 29 1HD ARG 29 -10.631 -13.158 -5.330
243 HE ARG 29 HE ARG 29 -12.862 -11.383 -5.915
244 1HH1 ARG 29 1HH2 ARG 29 -11.905 -14.534 -5.356
245 2HH1 ARG 29 2HH2 ARG 29 -13.407 -15.063 -4.672
246 1HH2 ARG 29 1HH1 ARG 29 -14.757 -11.874 -4.499
247 2HH2 ARG 29 2HH1 ARG 29 -15.021 -13.557 -4.186
248 H ALA 30 H ALA 30 -7.464 -8.064 -3.951
249 HA ALA 30 HA ALA 30 -5.426 -8.981 -2.081
250 1HB ALA 30 1HB ALA 30 -4.934 -7.847 -4.281
251 2HB ALA 30 2HB ALA 30 -4.106 -7.131 -2.898
252 3HB ALA 30 3HB ALA 30 -5.532 -6.346 -3.574
253 H VAL 31 H VAL 31 -6.184 -8.788 0.035
254 HA VAL 31 HA VAL 31 -7.335 -6.211 0.917
255 HB VAL 31 HB VAL 31 -7.654 -7.374 3.075
256 1HG1 VAL 31 1HG1 VAL 31 -8.739 -9.554 1.686
257 2HG1 VAL 31 2HG1 VAL 31 -8.721 -8.238 0.512
258 3HG1 VAL 31 3HG1 VAL 31 -9.554 -8.035 2.055
259 1HG2 VAL 31 1HG2 VAL 31 -6.384 -9.150 3.635
260 2HG2 VAL 31 2HG2 VAL 31 -5.534 -8.979 2.100
261 3HG2 VAL 31 3HG2 VAL 31 -6.939 -10.037 2.216
262 HA PRO 32 HA PRO 32 -3.562 -4.719 2.583
263 1HB PRO 32 2HB PRO 32 -4.503 -3.319 4.760
264 2HB PRO 32 1HB PRO 32 -4.664 -2.755 3.087
265 1HG PRO 32 2HG PRO 32 -6.741 -3.926 4.882
266 2HG PRO 32 1HG PRO 32 -6.933 -2.797 3.530
267 1HD PRO 32 2HD PRO 32 -7.466 -5.567 3.444
268 2HD PRO 32 1HD PRO 32 -7.289 -4.500 2.034
269 H LYS 33 H LYS 33 -5.679 -6.648 4.567
270 HA LYS 33 HA LYS 33 -3.954 -6.922 6.853
271 1HB LYS 33 2HB LYS 33 -6.243 -7.531 7.132
272 2HB LYS 33 1HB LYS 33 -6.212 -8.583 5.719
273 1HG LYS 33 2HG LYS 33 -4.210 -9.289 7.755
274 2HG LYS 33 1HG LYS 33 -5.877 -9.443 8.313
275 1HD LYS 33 2HD LYS 33 -5.714 -10.474 5.643
276 2HD LYS 33 1HD LYS 33 -4.438 -11.215 6.610
277 1HE LYS 33 2HE LYS 33 -6.292 -12.621 6.991
278 2HE LYS 33 1HE LYS 33 -6.291 -11.558 8.397
279 1HZ LYS 33 1HZ LYS 33 -8.496 -11.777 7.393
280 2HZ LYS 33 2HZ LYS 33 -7.901 -11.129 5.938
281 3HZ LYS 33 3HZ LYS 33 -7.938 -10.176 7.344
282 H LYS 34 H LYS 34 -4.527 -9.043 4.027
283 HA LYS 34 HA LYS 34 -2.398 -10.860 4.744
284 1HB LYS 34 2HB LYS 34 -4.044 -10.379 2.270
285 2HB LYS 34 1HB LYS 34 -2.628 -11.427 2.185
286 1HG LYS 34 2HG LYS 34 -4.909 -11.758 4.158
287 2HG LYS 34 1HG LYS 34 -4.710 -12.701 2.681
288 1HD LYS 34 2HD LYS 34 -2.329 -13.216 3.631
289 2HD LYS 34 1HD LYS 34 -3.026 -12.721 5.173
290 1HE LYS 34 2HE LYS 34 -4.525 -14.680 3.467
291 2HE LYS 34 1HE LYS 34 -3.152 -15.249 4.416
292 1HZ LYS 34 1HZ LYS 34 -5.593 -15.105 5.396
293 2HZ LYS 34 2HZ LYS 34 -5.076 -13.532 5.774
294 3HZ LYS 34 3HZ LYS 34 -4.216 -14.875 6.358
295 H ILE 35 H ILE 35 -2.623 -8.114 2.471
296 HA ILE 35 HA ILE 35 0.068 -8.355 1.529
297 HB ILE 35 HB ILE 35 -1.754 -5.946 1.739
298 1HG1 ILE 35 2HG1 ILE 35 -1.224 -8.109 -0.257
299 2HG1 ILE 35 1HG1 ILE 35 -2.737 -7.302 0.136
300 1HG2 ILE 35 1HG2 ILE 35 0.720 -5.396 1.701
301 2HG2 ILE 35 2HG2 ILE 35 -0.183 -4.774 0.321
302 3HG2 ILE 35 3HG2 ILE 35 0.814 -6.217 0.143
303 1HD1 ILE 35 1HD1 ILE 35 -0.595 -6.495 -1.781
304 2HD1 ILE 35 2HD1 ILE 35 -1.453 -5.209 -0.931
305 3HD1 ILE 35 3HD1 ILE 35 -2.347 -6.356 -1.931
306 H LEU 36 H LEU 36 -1.297 -7.162 4.493
307 HA LEU 36 HA LEU 36 0.730 -5.404 5.373
308 1HB LEU 36 2HB LEU 36 -1.267 -5.770 6.728
309 2HB LEU 36 1HB LEU 36 -0.843 -7.467 6.954
310 HG LEU 36 HG LEU 36 1.320 -6.663 8.024
311 1HD1 LEU 36 1HD1 LEU 36 0.187 -4.112 8.822
312 2HD1 LEU 36 2HD1 LEU 36 0.390 -4.188 7.073
313 3HD1 LEU 36 3HD1 LEU 36 1.773 -4.456 8.133
314 1HD2 LEU 36 1HD2 LEU 36 -0.078 -7.409 9.680
315 2HD2 LEU 36 2HD2 LEU 36 -1.436 -6.438 9.111
316 3HD2 LEU 36 3HD2 LEU 36 -0.163 -5.693 10.077
317 H ASP 37 H ASP 37 0.601 -8.948 5.318
318 HA ASP 37 HA ASP 37 3.190 -9.276 6.610
319 1HB ASP 37 2HB ASP 37 1.229 -11.034 5.205
320 2HB ASP 37 1HB ASP 37 2.903 -11.589 5.257
321 H LEU 38 H LEU 38 2.001 -9.022 3.298
322 HA LEU 38 HA LEU 38 4.358 -9.709 1.889
323 1HB LEU 38 2HB LEU 38 2.004 -7.927 1.328
324 2HB LEU 38 1HB LEU 38 3.376 -7.917 0.219
325 HG LEU 38 HG LEU 38 2.329 -10.574 1.075
326 1HD1 LEU 38 1HD1 LEU 38 0.863 -10.084 -1.192
327 2HD1 LEU 38 2HD1 LEU 38 0.757 -8.532 -0.363
328 3HD1 LEU 38 3HD1 LEU 38 0.216 -10.003 0.448
329 1HD2 LEU 38 1HD2 LEU 38 3.733 -11.151 -0.590
330 2HD2 LEU 38 2HD2 LEU 38 4.061 -9.449 -0.915
331 3HD2 LEU 38 3HD2 LEU 38 2.726 -10.260 -1.731
332 H MET 39 H MET 39 3.479 -6.795 3.640
333 HA MET 39 HA MET 39 5.731 -5.258 2.553
334 1HB MET 39 2HB MET 39 3.891 -4.660 4.893
335 2HB MET 39 1HB MET 39 5.000 -3.518 4.130
336 1HG MET 39 2HG MET 39 3.754 -4.038 1.938
337 2HG MET 39 1HG MET 39 2.520 -4.781 2.955
338 1HE MET 39 1HE MET 39 4.555 -1.368 2.332
339 2HE MET 39 2HE MET 39 3.080 -0.524 1.868
340 3HE MET 39 3HE MET 39 3.503 -2.041 1.079
341 H ASN 40 H ASN 40 4.870 -6.665 5.730
342 HA ASN 40 HA ASN 40 6.239 -7.226 7.552
343 1HB ASN 40 2HB ASN 40 7.119 -8.858 5.935
344 2HB ASN 40 1HB ASN 40 8.232 -7.646 5.302
345 1HD2 ASN 40 1HD2 ASN 40 10.075 -9.025 5.984
346 2HD2 ASN 40 2HD2 ASN 40 10.526 -9.100 7.618
347 H VAL 41 H VAL 41 6.203 -4.412 6.464
348 HA VAL 41 HA VAL 41 8.904 -3.399 7.036
349 HB VAL 41 HB VAL 41 6.299 -1.918 6.560
350 1HG1 VAL 41 1HG1 VAL 41 8.406 -0.300 5.798
351 2HG1 VAL 41 2HG1 VAL 41 9.028 -1.081 7.252
352 3HG1 VAL 41 3HG1 VAL 41 7.521 -0.167 7.318
353 1HG2 VAL 41 1HG2 VAL 41 7.398 -1.516 4.292
354 2HG2 VAL 41 2HG2 VAL 41 6.828 -3.159 4.581
355 3HG2 VAL 41 3HG2 VAL 41 8.545 -2.784 4.724
356 H ASP 42 H ASP 42 9.480 -2.241 8.914
357 HA ASP 42 HA ASP 42 7.867 -2.818 11.283
358 1HB ASP 42 2HB ASP 42 10.583 -2.228 10.752
359 2HB ASP 42 1HB ASP 42 9.972 -1.014 11.871
360 H LYS 43 H LYS 43 6.857 -1.243 12.612
361 HA LYS 43 HA LYS 43 5.934 0.863 13.156
362 1HB LYS 43 2HB LYS 43 8.232 1.619 11.973
363 2HB LYS 43 1HB LYS 43 7.090 2.207 10.764
364 1HG LYS 43 2HG LYS 43 6.171 3.765 12.184
365 2HG LYS 43 1HG LYS 43 6.459 2.779 13.619
366 1HD LYS 43 2HD LYS 43 7.911 4.824 13.508
367 2HD LYS 43 1HD LYS 43 8.826 3.318 13.582
368 1HE LYS 43 2HE LYS 43 9.185 3.363 11.174
369 2HE LYS 43 1HE LYS 43 8.160 4.789 11.016
370 1HZ LYS 43 1HZ LYS 43 10.648 5.166 11.098
371 2HZ LYS 43 2HZ LYS 43 10.558 4.768 12.747
372 3HZ LYS 43 3HZ LYS 43 9.702 6.107 12.147
373 H LEU 44 H LEU 44 5.494 -0.937 10.393
374 HA LEU 44 HA LEU 44 3.340 0.820 9.335
375 1HB LEU 44 2HB LEU 44 4.907 -1.490 8.253
376 2HB LEU 44 1HB LEU 44 3.277 -1.230 7.633
377 HG LEU 44 HG LEU 44 5.551 0.776 7.634
378 1HD1 LEU 44 1HD1 LEU 44 4.438 0.434 5.075
379 2HD1 LEU 44 2HD1 LEU 44 4.570 -1.193 5.742
380 3HD1 LEU 44 3HD1 LEU 44 5.999 -0.165 5.635
381 1HD2 LEU 44 1HD2 LEU 44 3.731 2.182 7.912
382 2HD2 LEU 44 2HD2 LEU 44 2.601 1.032 7.197
383 3HD2 LEU 44 3HD2 LEU 44 3.675 1.973 6.162
384 H THR 45 H THR 45 1.449 0.527 10.426
385 HA THR 45 HA THR 45 0.790 -2.123 11.547
386 HB THR 45 HB THR 45 -1.071 -0.994 12.620
387 HG1 THR 45 1HG THR 45 -1.096 1.406 12.089
388 1HG2 THR 45 1HG2 THR 45 0.559 -0.377 14.057
389 2HG2 THR 45 2HG2 THR 45 0.463 1.211 13.296
390 3HG2 THR 45 3HG2 THR 45 1.664 0.041 12.747
391 H ARG 46 H ARG 46 -1.563 -2.870 11.167
392 HA ARG 46 HA ARG 46 -1.954 -3.129 8.292
393 1HB ARG 46 2HB ARG 46 -2.445 -4.971 9.907
394 2HB ARG 46 1HB ARG 46 -3.772 -4.005 10.556
395 1HG ARG 46 2HG ARG 46 -3.923 -4.141 7.663
396 2HG ARG 46 1HG ARG 46 -3.889 -5.759 8.364
397 1HD ARG 46 2HD ARG 46 -5.613 -4.513 10.066
398 2HD ARG 46 1HD ARG 46 -5.968 -3.664 8.561
399 HE ARG 46 HE ARG 46 -6.673 -5.767 7.589
400 1HH1 ARG 46 1HH2 ARG 46 -4.731 -7.491 9.190
401 2HH1 ARG 46 2HH2 ARG 46 -5.823 -8.360 10.216
402 1HH2 ARG 46 1HH1 ARG 46 -8.488 -6.217 9.635
403 2HH2 ARG 46 2HH1 ARG 46 -7.951 -7.638 10.468
404 H GLU 47 H GLU 47 -3.201 -1.074 10.804
405 HA GLU 47 HA GLU 47 -5.619 -0.293 9.395
406 1HB GLU 47 2HB GLU 47 -4.314 0.332 11.914
407 2HB GLU 47 1HB GLU 47 -4.900 1.797 11.126
408 1HG GLU 47 2HG GLU 47 -6.690 -0.607 11.235
409 2HG GLU 47 1HG GLU 47 -6.515 0.396 12.676
410 H ASN 48 H ASN 48 -2.284 0.844 9.490
411 HA ASN 48 HA ASN 48 -2.760 3.351 8.151
412 1HB ASN 48 2HB ASN 48 -0.377 1.640 8.725
413 2HB ASN 48 1HB ASN 48 -0.223 2.872 7.472
414 1HD2 ASN 48 1HD2 ASN 48 1.100 2.921 10.117
415 2HD2 ASN 48 2HD2 ASN 48 0.538 4.314 10.907
416 H VAL 49 H VAL 49 -2.117 0.061 7.020
417 HA VAL 49 HA VAL 49 -1.949 0.922 4.219
418 HB VAL 49 HB VAL 49 -2.103 -1.837 5.475
419 1HG1 VAL 49 1HG1 VAL 49 -1.010 -1.467 2.750
420 2HG1 VAL 49 2HG1 VAL 49 -2.750 -1.228 2.895
421 3HG1 VAL 49 3HG1 VAL 49 -2.027 -2.758 3.388
422 1HG2 VAL 49 1HG2 VAL 49 -0.007 0.069 5.322
423 2HG2 VAL 49 2HG2 VAL 49 0.364 -1.184 4.137
424 3HG2 VAL 49 3HG2 VAL 49 0.111 -1.617 5.826
425 H ALA 50 H ALA 50 -4.365 -0.219 6.455
426 HA ALA 50 HA ALA 50 -6.296 -0.941 4.394
427 1HB ALA 50 1HB ALA 50 -7.721 -0.449 6.737
428 2HB ALA 50 2HB ALA 50 -6.145 -0.995 7.311
429 3HB ALA 50 3HB ALA 50 -7.087 -2.012 6.222
430 H SER 51 H SER 51 -5.347 1.956 6.064
431 HA SER 51 HA SER 51 -7.797 3.430 5.507
432 1HB SER 51 2HB SER 51 -5.020 4.279 6.359
433 2HB SER 51 1HB SER 51 -6.327 5.427 6.089
434 HG SER 51 HG SER 51 -7.172 4.842 7.921
435 H HIS 52 H HIS 52 -4.550 3.269 4.038
436 HA HIS 52 HA HIS 52 -5.037 5.215 2.000
437 1HB HIS 52 2HB HIS 52 -2.777 4.330 2.587
438 2HB HIS 52 1HB HIS 52 -3.224 2.785 1.864
439 HD1 HIS 52 1HD HIS 52 -3.255 6.455 0.787
440 HD2 HIS 52 2HD HIS 52 -2.492 2.671 -0.788
441 HE1 HIS 52 1HE HIS 52 -2.542 6.812 -1.616
442 H LEU 53 H LEU 53 -5.841 1.811 2.281
443 HA LEU 53 HA LEU 53 -6.564 1.482 -0.516
444 1HB LEU 53 2HB LEU 53 -5.943 -0.462 0.836
445 2HB LEU 53 1HB LEU 53 -7.276 -0.143 1.945
446 HG LEU 53 HG LEU 53 -8.757 -0.282 -0.215
447 1HD1 LEU 53 1HD1 LEU 53 -6.202 -1.696 -1.024
448 2HD1 LEU 53 2HD1 LEU 53 -7.013 -0.378 -1.872
449 3HD1 LEU 53 3HD1 LEU 53 -7.754 -1.977 -1.815
450 1HD2 LEU 53 1HD2 LEU 53 -9.238 -1.958 1.295
451 2HD2 LEU 53 2HD2 LEU 53 -7.550 -2.439 1.459
452 3HD2 LEU 53 3HD2 LEU 53 -8.477 -2.942 0.046
453 H GLN 54 H GLN 54 -8.132 2.701 2.336
454 HA GLN 54 HA GLN 54 -10.855 2.352 1.461
455 1HB GLN 54 2HB GLN 54 -9.476 4.050 3.513
456 2HB GLN 54 1HB GLN 54 -11.157 4.391 3.099
457 1HG GLN 54 2HG GLN 54 -10.052 1.738 4.064
458 2HG GLN 54 1HG GLN 54 -11.087 2.834 4.976
459 1HE2 GLN 54 1HE2 GLN 54 -13.360 2.916 4.426
460 2HE2 GLN 54 2HE2 GLN 54 -14.071 1.797 3.367
461 H LYS 55 H LYS 55 -8.406 4.830 0.917
462 HA LYS 55 HA LYS 55 -10.266 6.710 -0.303
463 1HB LYS 55 2HB LYS 55 -7.246 6.518 -0.249
464 2HB LYS 55 1HB LYS 55 -8.103 7.801 -1.104
465 1HG LYS 55 2HG LYS 55 -9.366 8.082 1.192
466 2HG LYS 55 1HG LYS 55 -7.944 7.270 1.846
467 1HD LYS 55 2HD LYS 55 -7.288 9.394 -0.072
468 2HD LYS 55 1HD LYS 55 -8.136 9.981 1.359
469 1HE LYS 55 2HE LYS 55 -5.757 8.122 1.530
470 2HE LYS 55 1HE LYS 55 -5.593 9.878 1.547
471 1HZ LYS 55 1HZ LYS 55 -7.079 8.192 3.481
472 2HZ LYS 55 2HZ LYS 55 -7.190 9.887 3.435
473 3HZ LYS 55 3HZ LYS 55 -5.704 9.139 3.784
474 H PHE 56 H PHE 56 -8.260 4.051 -1.420
475 HA PHE 56 HA PHE 56 -8.465 4.753 -4.236
476 1HB PHE 56 2HB PHE 56 -6.692 3.241 -3.170
477 2HB PHE 56 1HB PHE 56 -7.936 1.992 -3.110
478 HD1 PHE 56 1HD PHE 56 -7.415 0.421 -4.773
479 HD2 PHE 56 2HD PHE 56 -7.219 4.614 -5.685
480 HE1 PHE 56 1HE PHE 56 -6.995 -0.117 -7.158
481 HE2 PHE 56 2HE PHE 56 -6.800 4.076 -8.069
482 HZ PHE 56 HZ PHE 56 -6.688 1.710 -8.806
483 H ARG 57 H ARG 57 -10.221 2.548 -2.053
484 HA ARG 57 HA ARG 57 -11.933 1.441 -4.079
485 1HB ARG 57 2HB ARG 57 -11.949 1.613 -1.101
486 2HB ARG 57 1HB ARG 57 -13.501 1.314 -1.883
487 1HG ARG 57 2HG ARG 57 -12.237 -0.502 -3.233
488 2HG ARG 57 1HG ARG 57 -10.994 -0.356 -1.990
489 1HD ARG 57 2HD ARG 57 -13.158 -0.543 -0.401
490 2HD ARG 57 1HD ARG 57 -13.753 -1.453 -1.789
491 HE ARG 57 HE ARG 57 -11.080 -2.269 -0.961
492 1HH1 ARG 57 1HH1 ARG 57 -14.257 -2.328 0.269
493 2HH1 ARG 57 2HH1 ARG 57 -14.254 -4.025 0.617
494 1HH2 ARG 57 1HH2 ARG 57 -11.155 -4.586 -0.834
495 2HH2 ARG 57 2HH2 ARG 57 -12.497 -5.303 -0.008
496 H VAL 58 H VAL 58 -12.294 4.216 -1.868
497 HA VAL 58 HA VAL 58 -14.881 5.011 -2.842
498 HB VAL 58 HB VAL 58 -12.674 6.659 -1.559
499 1HG1 VAL 58 1HG1 VAL 58 -14.271 8.374 -1.228
500 2HG1 VAL 58 2HG1 VAL 58 -15.621 7.312 -1.623
501 3HG1 VAL 58 3HG1 VAL 58 -14.532 7.865 -2.896
502 1HG2 VAL 58 1HG2 VAL 58 -14.145 4.584 -0.477
503 2HG2 VAL 58 2HG2 VAL 58 -15.098 5.998 -0.029
504 3HG2 VAL 58 3HG2 VAL 58 -13.404 5.889 0.449
505 H ALA 59 H ALA 59 -11.585 5.563 -3.890
506 HA ALA 59 HA ALA 59 -12.348 7.565 -5.893
507 1HB ALA 59 1HB ALA 59 -9.948 7.284 -6.623
508 2HB ALA 59 2HB ALA 59 -9.763 6.083 -5.345
509 3HB ALA 59 3HB ALA 59 -10.134 7.757 -4.935
510 H LEU 60 H LEU 60 -12.400 4.192 -5.614
511 HA LEU 60 HA LEU 60 -12.078 3.694 -8.509
512 1HB LEU 60 2HB LEU 60 -12.234 2.031 -6.032
513 2HB LEU 60 1HB LEU 60 -12.762 1.291 -7.542
514 HG LEU 60 HG LEU 60 -10.085 2.650 -7.120
515 1HD1 LEU 60 1HD1 LEU 60 -9.756 -0.075 -7.726
516 2HD1 LEU 60 2HD1 LEU 60 -11.032 -0.023 -6.510
517 3HD1 LEU 60 3HD1 LEU 60 -9.461 0.703 -6.171
518 1HD2 LEU 60 1HD2 LEU 60 -9.758 2.437 -9.352
519 2HD2 LEU 60 2HD2 LEU 60 -11.498 2.179 -9.471
520 3HD2 LEU 60 3HD2 LEU 60 -10.407 0.798 -9.364
521 H LYS 61 H LYS 61 -14.489 4.901 -6.678
522 HA LYS 61 HA LYS 61 -16.704 3.238 -7.625
523 1HB LYS 61 2HB LYS 61 -18.127 4.821 -6.476
524 2HB LYS 61 1HB LYS 61 -16.730 4.510 -5.445
525 1HG LYS 61 2HG LYS 61 -15.647 6.563 -6.477
526 2HG LYS 61 1HG LYS 61 -17.209 6.918 -7.216
527 1HD LYS 61 2HD LYS 61 -18.272 7.111 -5.063
528 2HD LYS 61 1HD LYS 61 -16.837 6.499 -4.239
529 1HE LYS 61 2HE LYS 61 -15.761 8.505 -4.348
530 2HE LYS 61 1HE LYS 61 -16.375 8.859 -5.962
531 1HZ LYS 61 1HZ LYS 61 -18.615 9.111 -4.720
532 2HZ LYS 61 2HZ LYS 61 -17.488 10.381 -4.679
533 3HZ LYS 61 3HZ LYS 61 -17.640 9.334 -3.350
534 H LYS 62 H LYS 62 -14.801 5.718 -8.954
535 HA LYS 62 HA LYS 62 -16.817 6.078 -11.120
536 1HB LYS 62 2HB LYS 62 -15.838 8.114 -9.284
537 2HB LYS 62 1HB LYS 62 -15.474 8.527 -10.960
538 1HG LYS 62 2HG LYS 62 -17.874 8.041 -11.531
539 2HG LYS 62 1HG LYS 62 -18.191 7.835 -9.808
540 1HD LYS 62 2HD LYS 62 -17.542 10.120 -9.348
541 2HD LYS 62 1HD LYS 62 -16.996 10.347 -11.010
542 1HE LYS 62 2HE LYS 62 -19.482 9.625 -11.580
543 2HE LYS 62 1HE LYS 62 -19.789 10.192 -9.938
544 1HZ LYS 62 1HZ LYS 62 -19.684 12.272 -10.645
545 2HZ LYS 62 2HZ LYS 62 -19.483 11.722 -12.240
546 3HZ LYS 62 3HZ LYS 62 -18.125 12.031 -11.267
547 H VAL 63 H VAL 63 -13.425 6.700 -10.146
548 HA VAL 63 HA VAL 63 -12.478 6.897 -12.863
549 HB VAL 63 HB VAL 63 -11.327 7.720 -10.702
550 1HG1 VAL 63 1HG1 VAL 63 -9.890 5.112 -10.674
551 2HG1 VAL 63 2HG1 VAL 63 -11.477 5.153 -9.904
552 3HG1 VAL 63 3HG1 VAL 63 -10.201 6.239 -9.355
553 1HG2 VAL 63 1HG2 VAL 63 -9.297 6.223 -12.249
554 2HG2 VAL 63 2HG2 VAL 63 -9.431 7.955 -11.949
555 3HG2 VAL 63 3HG2 VAL 63 -10.398 7.203 -13.217
556 H SER 64 H SER 64 -10.770 5.273 -13.690
557 HA SER 64 HA SER 64 -12.012 2.602 -13.634
558 1HB SER 64 2HB SER 64 -10.652 2.111 -15.528
559 2HB SER 64 1HB SER 64 -11.153 3.787 -15.738
560 HG SER 64 HG SER 64 -9.135 4.341 -15.615
Start of MODEL 6
1 1H THR 1 1HT THR 1 18.476 16.413 -2.389
2 2H THR 1 2HT THR 1 19.670 17.426 -3.048
3 3H THR 1 3HT THR 1 18.639 18.004 -1.827
4 HA THR 1 HA THR 1 21.121 16.979 -1.443
5 HB THR 1 HB THR 1 20.368 16.904 0.978
6 HG1 THR 1 1HG THR 1 18.314 16.551 1.169
7 1HG2 THR 1 1HG2 THR 1 19.243 19.437 0.363
8 2HG2 THR 1 2HG2 THR 1 20.467 19.106 -0.864
9 3HG2 THR 1 3HG2 THR 1 20.903 19.081 0.846
10 H ALA 2 H ALA 2 21.402 15.156 0.422
11 HA ALA 2 HA ALA 2 20.026 12.712 -0.624
12 1HB ALA 2 1HB ALA 2 22.699 13.228 -0.818
13 2HB ALA 2 2HB ALA 2 22.018 11.603 -0.730
14 3HB ALA 2 3HB ALA 2 22.638 12.380 0.727
15 H GLN 3 H GLN 3 18.461 13.417 1.171
16 HA GLN 3 HA GLN 3 19.411 12.973 3.917
17 1HB GLN 3 2HB GLN 3 16.511 13.170 3.155
18 2HB GLN 3 1HB GLN 3 17.320 13.755 4.610
19 1HG GLN 3 2HG GLN 3 18.598 15.353 3.041
20 2HG GLN 3 1HG GLN 3 17.378 14.942 1.834
21 1HE2 GLN 3 1HE2 GLN 3 15.082 14.741 3.514
22 2HE2 GLN 3 2HE2 GLN 3 14.748 16.272 4.164
23 H LYS 4 H LYS 4 18.388 11.311 5.304
24 HA LYS 4 HA LYS 4 18.561 8.701 4.270
25 1HB LYS 4 2HB LYS 4 17.199 9.873 6.682
26 2HB LYS 4 1HB LYS 4 16.991 8.164 6.303
27 1HG LYS 4 2HG LYS 4 19.488 7.939 6.216
28 2HG LYS 4 1HG LYS 4 19.613 9.608 6.775
29 1HD LYS 4 2HD LYS 4 18.352 9.030 8.811
30 2HD LYS 4 1HD LYS 4 18.207 7.362 8.253
31 1HE LYS 4 2HE LYS 4 20.952 7.996 8.078
32 2HE LYS 4 1HE LYS 4 20.410 8.626 9.634
33 1HZ LYS 4 1HZ LYS 4 19.617 5.924 8.770
34 2HZ LYS 4 2HZ LYS 4 19.745 6.552 10.343
35 3HZ LYS 4 3HZ LYS 4 21.146 6.179 9.457
36 H LYS 5 H LYS 5 16.354 7.225 4.698
37 HA LYS 5 HA LYS 5 14.658 7.929 2.447
38 1HB LYS 5 2HB LYS 5 15.183 5.582 2.936
39 2HB LYS 5 1HB LYS 5 14.398 5.723 4.511
40 1HG LYS 5 2HG LYS 5 12.252 5.960 3.552
41 2HG LYS 5 1HG LYS 5 12.911 6.355 1.963
42 1HD LYS 5 2HD LYS 5 12.213 4.108 1.742
43 2HD LYS 5 1HD LYS 5 13.950 3.987 2.023
44 1HE LYS 5 2HE LYS 5 13.303 3.827 4.539
45 2HE LYS 5 1HE LYS 5 11.691 3.434 3.938
46 1HZ LYS 5 1HZ LYS 5 13.783 1.695 4.238
47 2HZ LYS 5 2HZ LYS 5 13.723 1.980 2.564
48 3HZ LYS 5 3HZ LYS 5 12.349 1.404 3.380
49 HA PRO 6 HA PRO 6 11.913 10.290 5.078
50 1HB PRO 6 2HB PRO 6 10.320 11.181 3.021
51 2HB PRO 6 1HB PRO 6 11.888 11.902 3.429
52 1HG PRO 6 2HG PRO 6 11.177 10.120 1.144
53 2HG PRO 6 1HG PRO 6 12.461 11.335 1.262
54 1HD PRO 6 2HD PRO 6 12.804 8.537 1.498
55 2HD PRO 6 1HD PRO 6 13.996 9.776 1.948
56 H ARG 7 H ARG 7 9.675 10.057 5.749
57 HA ARG 7 HA ARG 7 8.581 7.520 5.865
58 1HB ARG 7 2HB ARG 7 7.274 10.237 5.877
59 2HB ARG 7 1HB ARG 7 6.302 8.771 6.017
60 1HG ARG 7 2HG ARG 7 6.735 8.947 8.240
61 2HG ARG 7 1HG ARG 7 8.310 8.273 7.819
62 1HD ARG 7 2HD ARG 7 8.512 10.351 9.175
63 2HD ARG 7 1HD ARG 7 9.243 10.523 7.578
64 HE ARG 7 HE ARG 7 6.562 11.409 7.372
65 1HH1 ARG 7 1HH2 ARG 7 9.719 12.451 7.850
66 2HH1 ARG 7 2HH2 ARG 7 9.297 14.029 8.425
67 1HH2 ARG 7 1HH1 ARG 7 5.903 13.347 8.610
68 2HH2 ARG 7 2HH1 ARG 7 7.138 14.536 8.855
69 H VAL 8 H VAL 8 8.686 6.361 3.907
70 HA VAL 8 HA VAL 8 7.474 7.467 1.479
71 HB VAL 8 HB VAL 8 8.438 4.645 2.021
72 1HG1 VAL 8 1HG1 VAL 8 6.912 4.973 0.065
73 2HG1 VAL 8 2HG1 VAL 8 8.535 4.467 -0.404
74 3HG1 VAL 8 3HG1 VAL 8 8.052 6.154 -0.580
75 1HG2 VAL 8 1HG2 VAL 8 10.391 5.880 2.296
76 2HG2 VAL 8 2HG2 VAL 8 9.849 7.167 1.218
77 3HG2 VAL 8 3HG2 VAL 8 10.398 5.629 0.549
78 H LEU 9 H LEU 9 5.300 7.438 1.203
79 HA LEU 9 HA LEU 9 3.687 5.444 2.691
80 1HB LEU 9 2HB LEU 9 3.034 7.882 2.639
81 2HB LEU 9 1HB LEU 9 2.741 7.709 0.908
82 HG LEU 9 HG LEU 9 1.025 6.048 1.297
83 1HD1 LEU 9 1HD1 LEU 9 0.416 5.455 3.676
84 2HD1 LEU 9 2HD1 LEU 9 1.898 6.260 4.191
85 3HD1 LEU 9 3HD1 LEU 9 1.983 4.837 3.154
86 1HD2 LEU 9 1HD2 LEU 9 0.701 8.647 1.836
87 2HD2 LEU 9 2HD2 LEU 9 0.378 8.019 3.452
88 3HD2 LEU 9 3HD2 LEU 9 -0.605 7.488 2.088
89 H TRP 10 H TRP 10 3.770 6.737 -0.642
90 HA TRP 10 HA TRP 10 3.654 3.991 -1.724
91 1HB TRP 10 2HB TRP 10 1.520 6.081 -2.274
92 2HB TRP 10 1HB TRP 10 1.702 4.581 -3.182
93 HD1 TRP 10 HD TRP 10 -0.541 5.757 -0.817
94 HE1 TRP 10 1HE TRP 10 -1.348 3.966 0.852
95 HE3 TRP 10 3HE TRP 10 3.081 2.221 -1.496
96 HZ2 TRP 10 2HZ TRP 10 -0.562 1.376 1.776
97 HZ3 TRP 10 3HZ TRP 10 3.028 0.106 -0.208
98 HH2 TRP 10 HH TRP 10 1.213 -0.323 1.424
99 H THR 11 H THR 11 5.854 4.892 -2.309
100 HA THR 11 HA THR 11 5.661 6.773 -4.632
101 HB THR 11 HB THR 11 7.884 7.511 -4.134
102 HG1 THR 11 1HG THR 11 9.159 6.463 -2.653
103 1HG2 THR 11 1HG2 THR 11 5.940 8.217 -2.596
104 2HG2 THR 11 2HG2 THR 11 7.578 8.500 -2.007
105 3HG2 THR 11 3HG2 THR 11 6.652 7.124 -1.409
106 H HIS 12 H HIS 12 7.668 6.412 -6.163
107 HA HIS 12 HA HIS 12 7.370 3.939 -7.478
108 1HB HIS 12 2HB HIS 12 9.349 6.154 -7.545
109 2HB HIS 12 1HB HIS 12 9.896 4.611 -8.203
110 HD1 HIS 12 1HD HIS 12 9.154 7.271 -9.874
111 HD2 HIS 12 2HD HIS 12 6.794 3.859 -9.461
112 HE1 HIS 12 1HE HIS 12 7.583 7.242 -11.860
113 H GLU 13 H GLU 13 9.184 4.735 -4.643
114 HA GLU 13 HA GLU 13 10.941 2.392 -4.821
115 1HB GLU 13 2HB GLU 13 11.483 4.631 -3.661
116 2HB GLU 13 1HB GLU 13 10.447 4.060 -2.352
117 1HG GLU 13 2HG GLU 13 12.018 2.619 -1.607
118 2HG GLU 13 1HG GLU 13 12.340 2.018 -3.234
119 H LEU 14 H LEU 14 8.397 3.417 -2.511
120 HA LEU 14 HA LEU 14 8.150 0.676 -1.525
121 1HB LEU 14 2HB LEU 14 6.988 3.330 -0.836
122 2HB LEU 14 1HB LEU 14 6.060 1.906 -0.383
123 HG LEU 14 HG LEU 14 8.912 2.560 0.407
124 1HD1 LEU 14 1HD1 LEU 14 8.079 2.887 2.551
125 2HD1 LEU 14 2HD1 LEU 14 6.679 1.851 2.276
126 3HD1 LEU 14 3HD1 LEU 14 6.725 3.472 1.585
127 1HD2 LEU 14 1HD2 LEU 14 9.195 0.298 0.358
128 2HD2 LEU 14 2HD2 LEU 14 7.462 -0.009 0.252
129 3HD2 LEU 14 3HD2 LEU 14 8.207 0.312 1.818
130 H HIS 15 H HIS 15 5.895 2.954 -3.102
131 HA HIS 15 HA HIS 15 3.702 1.311 -3.489
132 1HB HIS 15 2HB HIS 15 3.858 3.701 -4.205
133 2HB HIS 15 1HB HIS 15 4.840 3.193 -5.579
134 HD1 HIS 15 1HD HIS 15 1.487 2.115 -4.079
135 HD2 HIS 15 2HD HIS 15 3.252 2.806 -7.792
136 HE1 HIS 15 1HE HIS 15 -0.307 1.692 -5.814
137 H ASN 16 H ASN 16 6.821 1.084 -5.013
138 HA ASN 16 HA ASN 16 6.016 -0.560 -7.247
139 1HB ASN 16 2HB ASN 16 8.597 0.104 -5.900
140 2HB ASN 16 1HB ASN 16 8.557 -1.328 -6.929
141 1HD2 ASN 16 1HD2 ASN 16 10.116 0.197 -8.231
142 2HD2 ASN 16 2HD2 ASN 16 9.383 1.220 -9.371
143 H LYS 17 H LYS 17 7.372 -1.383 -4.042
144 HA LYS 17 HA LYS 17 7.191 -4.229 -4.453
145 1HB LYS 17 2HB LYS 17 7.196 -2.684 -1.840
146 2HB LYS 17 1HB LYS 17 7.580 -4.394 -2.041
147 1HG LYS 17 2HG LYS 17 9.566 -3.910 -3.265
148 2HG LYS 17 1HG LYS 17 9.102 -2.223 -3.492
149 1HD LYS 17 2HD LYS 17 9.273 -1.862 -1.044
150 2HD LYS 17 1HD LYS 17 9.794 -3.536 -0.847
151 1HE LYS 17 2HE LYS 17 11.361 -2.204 -2.894
152 2HE LYS 17 1HE LYS 17 11.439 -1.321 -1.368
153 1HZ LYS 17 1HZ LYS 17 12.614 -3.815 -2.064
154 2HZ LYS 17 2HZ LYS 17 11.638 -3.971 -0.681
155 3HZ LYS 17 3HZ LYS 17 12.901 -2.834 -0.711
156 H PHE 18 H PHE 18 4.998 -1.797 -3.140
157 HA PHE 18 HA PHE 18 3.054 -3.666 -2.115
158 1HB PHE 18 2HB PHE 18 3.252 -1.225 -1.481
159 2HB PHE 18 1HB PHE 18 2.558 -0.828 -3.052
160 HD1 PHE 18 1HD PHE 18 0.239 -0.662 -3.257
161 HD2 PHE 18 2HD PHE 18 1.906 -3.006 -0.067
162 HE1 PHE 18 1HE PHE 18 -2.037 -1.047 -2.351
163 HE2 PHE 18 2HE PHE 18 -0.371 -3.392 0.840
164 HZ PHE 18 HZ PHE 18 -2.342 -2.412 -0.303
165 H LEU 19 H LEU 19 3.723 -2.341 -5.280
166 HA LEU 19 HA LEU 19 1.122 -3.041 -6.400
167 1HB LEU 19 2HB LEU 19 3.765 -2.187 -7.588
168 2HB LEU 19 1HB LEU 19 2.412 -2.684 -8.605
169 HG LEU 19 HG LEU 19 2.154 -0.558 -6.469
170 1HD1 LEU 19 1HD1 LEU 19 3.184 -0.415 -9.264
171 2HD1 LEU 19 2HD1 LEU 19 3.582 0.586 -7.867
172 3HD1 LEU 19 3HD1 LEU 19 2.079 0.860 -8.749
173 1HD2 LEU 19 1HD2 LEU 19 0.210 0.046 -8.065
174 2HD2 LEU 19 2HD2 LEU 19 0.020 -1.399 -7.073
175 3HD2 LEU 19 3HD2 LEU 19 0.468 -1.550 -8.772
176 H ALA 20 H ALA 20 4.391 -4.471 -6.480
177 HA ALA 20 HA ALA 20 3.555 -6.738 -8.083
178 1HB ALA 20 1HB ALA 20 5.788 -7.646 -6.852
179 2HB ALA 20 2HB ALA 20 6.006 -5.913 -6.612
180 3HB ALA 20 3HB ALA 20 5.840 -6.564 -8.243
181 H ALA 21 H ALA 21 3.484 -5.938 -4.702
182 HA ALA 21 HA ALA 21 3.204 -8.670 -3.748
183 1HB ALA 21 1HB ALA 21 3.972 -7.031 -2.169
184 2HB ALA 21 2HB ALA 21 2.348 -7.487 -1.657
185 3HB ALA 21 3HB ALA 21 2.608 -5.969 -2.514
186 H VAL 22 H VAL 22 0.964 -6.047 -4.585
187 HA VAL 22 HA VAL 22 -1.426 -7.483 -3.817
188 HB VAL 22 HB VAL 22 -1.183 -5.322 -5.927
189 1HG1 VAL 22 1HG1 VAL 22 -3.353 -6.796 -4.993
190 2HG1 VAL 22 2HG1 VAL 22 -3.433 -5.267 -5.867
191 3HG1 VAL 22 3HG1 VAL 22 -3.455 -5.277 -4.104
192 1HG2 VAL 22 1HG2 VAL 22 -1.890 -4.543 -3.176
193 2HG2 VAL 22 2HG2 VAL 22 -0.821 -3.748 -4.333
194 3HG2 VAL 22 3HG2 VAL 22 -0.226 -5.097 -3.365
195 H ASP 23 H ASP 23 0.230 -6.940 -6.905
196 HA ASP 23 HA ASP 23 -1.533 -8.420 -8.567
197 1HB ASP 23 2HB ASP 23 0.527 -6.917 -9.131
198 2HB ASP 23 1HB ASP 23 1.444 -8.407 -8.968
199 H HIS 24 H HIS 24 1.270 -9.414 -6.639
200 HA HIS 24 HA HIS 24 1.499 -12.093 -7.506
201 1HB HIS 24 2HB HIS 24 3.156 -11.202 -6.006
202 2HB HIS 24 1HB HIS 24 1.939 -10.855 -4.777
203 HD1 HIS 24 1HD HIS 24 0.586 -13.137 -3.939
204 HD2 HIS 24 2HD HIS 24 4.359 -13.658 -5.636
205 HE1 HIS 24 1HE HIS 24 1.377 -15.440 -3.235
206 H LEU 25 H LEU 25 -0.895 -10.578 -5.456
207 HA LEU 25 HA LEU 25 -2.084 -13.255 -4.874
208 1HB LEU 25 2HB LEU 25 -2.885 -10.607 -3.650
209 2HB LEU 25 1HB LEU 25 -3.232 -12.228 -3.048
210 HG LEU 25 HG LEU 25 -0.367 -11.477 -3.424
211 1HD1 LEU 25 1HD1 LEU 25 -2.250 -10.085 -1.647
212 2HD1 LEU 25 2HD1 LEU 25 -0.620 -9.626 -2.142
213 3HD1 LEU 25 3HD1 LEU 25 -0.853 -10.759 -0.809
214 1HD2 LEU 25 1HD2 LEU 25 -0.143 -12.909 -1.427
215 2HD2 LEU 25 2HD2 LEU 25 -1.056 -13.737 -2.688
216 3HD2 LEU 25 3HD2 LEU 25 -1.899 -13.028 -1.311
217 H GLY 26 H GLY 26 -2.422 -10.601 -6.946
218 1HA GLY 26 2HA GLY 26 -4.066 -10.544 -8.713
219 2HA GLY 26 1HA GLY 26 -5.129 -11.544 -7.718
220 H VAL 27 H VAL 27 -4.531 -8.397 -8.736
221 HA VAL 27 HA VAL 27 -5.202 -6.787 -6.526
222 HB VAL 27 HB VAL 27 -4.486 -5.746 -8.572
223 1HG1 VAL 27 1HG1 VAL 27 -5.168 -6.494 -10.585
224 2HG1 VAL 27 2HG1 VAL 27 -6.842 -6.089 -10.207
225 3HG1 VAL 27 3HG1 VAL 27 -6.194 -7.666 -9.757
226 1HG2 VAL 27 1HG2 VAL 27 -6.286 -4.619 -7.107
227 2HG2 VAL 27 2HG2 VAL 27 -7.425 -5.066 -8.378
228 3HG2 VAL 27 3HG2 VAL 27 -6.077 -3.988 -8.741
229 H GLU 28 H GLU 28 -7.174 -9.021 -8.254
230 HA GLU 28 HA GLU 28 -9.723 -7.765 -7.619
231 1HB GLU 28 2HB GLU 28 -9.380 -9.362 -9.524
232 2HB GLU 28 1HB GLU 28 -9.189 -10.658 -8.342
233 1HG GLU 28 2HG GLU 28 -11.417 -10.612 -7.718
234 2HG GLU 28 1HG GLU 28 -11.603 -8.905 -8.126
235 H ARG 29 H ARG 29 -7.852 -10.457 -6.191
236 HA ARG 29 HA ARG 29 -9.722 -10.339 -3.855
237 1HB ARG 29 2HB ARG 29 -8.232 -12.623 -5.131
238 2HB ARG 29 1HB ARG 29 -8.740 -12.717 -3.445
239 1HG ARG 29 2HG ARG 29 -11.048 -12.448 -4.031
240 2HG ARG 29 1HG ARG 29 -10.641 -12.010 -5.691
241 1HD ARG 29 2HD ARG 29 -11.437 -14.423 -5.299
242 2HD ARG 29 1HD ARG 29 -9.946 -14.221 -6.218
243 HE ARG 29 HE ARG 29 -8.701 -14.838 -4.165
244 1HH1 ARG 29 1HH2 ARG 29 -10.997 -14.272 -2.252
245 2HH1 ARG 29 2HH2 ARG 29 -11.494 -15.877 -1.835
246 1HH2 ARG 29 1HH1 ARG 29 -9.816 -17.369 -4.477
247 2HH2 ARG 29 2HH1 ARG 29 -10.826 -17.630 -3.094
248 H ALA 30 H ALA 30 -6.968 -8.996 -4.588
249 HA ALA 30 HA ALA 30 -5.099 -10.006 -2.641
250 1HB ALA 30 1HB ALA 30 -3.702 -8.503 -3.580
251 2HB ALA 30 2HB ALA 30 -4.800 -7.165 -3.244
252 3HB ALA 30 3HB ALA 30 -5.013 -8.135 -4.701
253 H VAL 31 H VAL 31 -5.177 -9.759 -0.471
254 HA VAL 31 HA VAL 31 -6.949 -7.627 0.640
255 HB VAL 31 HB VAL 31 -6.839 -9.013 2.739
256 1HG1 VAL 31 1HG1 VAL 31 -7.743 -11.037 0.842
257 2HG1 VAL 31 2HG1 VAL 31 -8.318 -9.426 0.409
258 3HG1 VAL 31 3HG1 VAL 31 -8.680 -10.095 2.001
259 1HG2 VAL 31 1HG2 VAL 31 -4.604 -10.082 1.794
260 2HG2 VAL 31 2HG2 VAL 31 -5.720 -11.245 1.078
261 3HG2 VAL 31 3HG2 VAL 31 -5.677 -11.026 2.827
262 HA PRO 32 HA PRO 32 -3.452 -5.584 2.330
263 1HB PRO 32 2HB PRO 32 -4.542 -4.566 4.643
264 2HB PRO 32 1HB PRO 32 -4.886 -3.916 3.030
265 1HG PRO 32 2HG PRO 32 -6.616 -5.603 4.783
266 2HG PRO 32 1HG PRO 32 -7.083 -4.431 3.540
267 1HD PRO 32 2HD PRO 32 -7.078 -7.238 3.236
268 2HD PRO 32 1HD PRO 32 -7.183 -6.052 1.917
269 H LYS 33 H LYS 33 -5.104 -7.996 4.240
270 HA LYS 33 HA LYS 33 -3.221 -8.120 6.419
271 1HB LYS 33 2HB LYS 33 -5.386 -9.095 6.747
272 2HB LYS 33 1HB LYS 33 -5.231 -10.084 5.297
273 1HG LYS 33 2HG LYS 33 -3.059 -10.479 7.247
274 2HG LYS 33 1HG LYS 33 -4.652 -10.956 7.837
275 1HD LYS 33 2HD LYS 33 -4.985 -12.455 5.996
276 2HD LYS 33 1HD LYS 33 -3.582 -11.816 5.140
277 1HE LYS 33 2HE LYS 33 -2.804 -13.837 6.101
278 2HE LYS 33 1HE LYS 33 -2.212 -12.580 7.188
279 1HZ LYS 33 1HZ LYS 33 -3.980 -12.996 8.691
280 2HZ LYS 33 2HZ LYS 33 -3.289 -14.501 8.311
281 3HZ LYS 33 3HZ LYS 33 -4.761 -14.036 7.603
282 H LYS 34 H LYS 34 -3.657 -10.169 3.517
283 HA LYS 34 HA LYS 34 -1.263 -11.692 3.985
284 1HB LYS 34 2HB LYS 34 -3.145 -11.310 1.689
285 2HB LYS 34 1HB LYS 34 -1.572 -12.037 1.362
286 1HG LYS 34 2HG LYS 34 -1.969 -13.790 2.982
287 2HG LYS 34 1HG LYS 34 -3.456 -13.011 3.524
288 1HD LYS 34 2HD LYS 34 -4.108 -14.780 2.035
289 2HD LYS 34 1HD LYS 34 -4.328 -13.269 1.154
290 1HE LYS 34 2HE LYS 34 -3.112 -14.330 -0.459
291 2HE LYS 34 1HE LYS 34 -1.739 -13.831 0.529
292 1HZ LYS 34 1HZ LYS 34 -1.393 -15.913 1.261
293 2HZ LYS 34 2HZ LYS 34 -2.224 -16.355 -0.154
294 3HZ LYS 34 3HZ LYS 34 -3.044 -16.295 1.333
295 H ILE 35 H ILE 35 -1.941 -8.755 2.088
296 HA ILE 35 HA ILE 35 0.696 -8.628 0.942
297 HB ILE 35 HB ILE 35 -1.395 -6.499 1.426
298 1HG1 ILE 35 2HG1 ILE 35 -0.612 -8.355 -0.786
299 2HG1 ILE 35 1HG1 ILE 35 -2.215 -7.815 -0.300
300 1HG2 ILE 35 1HG2 ILE 35 1.295 -6.335 0.026
301 2HG2 ILE 35 2HG2 ILE 35 0.788 -5.422 1.447
302 3HG2 ILE 35 3HG2 ILE 35 0.032 -5.112 -0.114
303 1HD1 ILE 35 1HD1 ILE 35 -1.227 -5.463 -1.151
304 2HD1 ILE 35 2HD1 ILE 35 -2.026 -6.598 -2.241
305 3HD1 ILE 35 3HD1 ILE 35 -0.265 -6.544 -2.158
306 H LEU 36 H LEU 36 -0.621 -7.804 4.052
307 HA LEU 36 HA LEU 36 1.295 -5.928 4.950
308 1HB LEU 36 2HB LEU 36 -0.671 -6.626 6.302
309 2HB LEU 36 1HB LEU 36 0.058 -8.215 6.526
310 HG LEU 36 HG LEU 36 2.029 -7.112 7.598
311 1HD1 LEU 36 1HD1 LEU 36 0.746 -4.621 8.247
312 2HD1 LEU 36 2HD1 LEU 36 0.818 -4.793 6.493
313 3HD1 LEU 36 3HD1 LEU 36 2.297 -4.883 7.450
314 1HD2 LEU 36 1HD2 LEU 36 1.012 -7.113 9.664
315 2HD2 LEU 36 2HD2 LEU 36 -0.311 -7.812 8.730
316 3HD2 LEU 36 3HD2 LEU 36 -0.321 -6.093 9.124
317 H ASP 37 H ASP 37 1.443 -9.458 4.671
318 HA ASP 37 HA ASP 37 4.121 -9.630 5.815
319 1HB ASP 37 2HB ASP 37 2.457 -11.548 4.155
320 2HB ASP 37 1HB ASP 37 4.065 -11.944 4.765
321 H LEU 38 H LEU 38 2.699 -9.331 2.607
322 HA LEU 38 HA LEU 38 4.991 -9.788 1.012
323 1HB LEU 38 2HB LEU 38 2.485 -8.165 0.700
324 2HB LEU 38 1HB LEU 38 3.771 -7.994 -0.494
325 HG LEU 38 HG LEU 38 2.994 -10.766 0.283
326 1HD1 LEU 38 1HD1 LEU 38 1.307 -10.390 -1.792
327 2HD1 LEU 38 2HD1 LEU 38 1.196 -8.798 -1.042
328 3HD1 LEU 38 3HD1 LEU 38 0.794 -10.240 -0.112
329 1HD2 LEU 38 1HD2 LEU 38 4.558 -10.912 -1.379
330 2HD2 LEU 38 2HD2 LEU 38 4.219 -9.286 -1.971
331 3HD2 LEU 38 3HD2 LEU 38 3.174 -10.628 -2.435
332 H MET 39 H MET 39 4.058 -7.025 2.976
333 HA MET 39 HA MET 39 6.102 -5.283 1.793
334 1HB MET 39 2HB MET 39 4.200 -5.029 4.126
335 2HB MET 39 1HB MET 39 5.456 -3.828 3.826
336 1HG MET 39 2HG MET 39 3.317 -4.670 1.848
337 2HG MET 39 1HG MET 39 3.333 -3.161 2.762
338 1HE MET 39 1HE MET 39 4.509 -1.474 2.663
339 2HE MET 39 2HE MET 39 4.298 -0.872 1.021
340 3HE MET 39 3HE MET 39 5.920 -1.051 1.685
341 H ASN 40 H ASN 40 5.658 -7.077 4.841
342 HA ASN 40 HA ASN 40 7.210 -7.619 6.518
343 1HB ASN 40 2HB ASN 40 8.075 -8.809 4.371
344 2HB ASN 40 1HB ASN 40 9.308 -7.547 4.353
345 1HD2 ASN 40 1HD2 ASN 40 8.770 -10.645 5.471
346 2HD2 ASN 40 2HD2 ASN 40 9.840 -10.652 6.789
347 H VAL 41 H VAL 41 6.826 -4.744 5.664
348 HA VAL 41 HA VAL 41 9.462 -3.539 6.203
349 HB VAL 41 HB VAL 41 6.727 -2.297 5.787
350 1HG1 VAL 41 1HG1 VAL 41 8.012 -0.744 7.063
351 2HG1 VAL 41 2HG1 VAL 41 8.170 -0.219 5.387
352 3HG1 VAL 41 3HG1 VAL 41 9.483 -1.108 6.160
353 1HG2 VAL 41 1HG2 VAL 41 7.470 -3.318 3.749
354 2HG2 VAL 41 2HG2 VAL 41 9.124 -2.754 3.992
355 3HG2 VAL 41 3HG2 VAL 41 7.847 -1.602 3.599
356 H ASP 42 H ASP 42 9.801 -2.097 8.036
357 HA ASP 42 HA ASP 42 8.417 -3.075 10.456
358 1HB ASP 42 2HB ASP 42 10.176 -1.941 11.687
359 2HB ASP 42 1HB ASP 42 10.919 -2.845 10.366
360 H LYS 43 H LYS 43 7.107 -1.793 11.745
361 HA LYS 43 HA LYS 43 5.948 0.131 12.468
362 1HB LYS 43 2HB LYS 43 8.185 1.239 11.325
363 2HB LYS 43 1HB LYS 43 6.895 1.930 10.339
364 1HG LYS 43 2HG LYS 43 6.638 3.435 12.009
365 2HG LYS 43 1HG LYS 43 5.875 2.120 12.904
366 1HD LYS 43 2HD LYS 43 8.807 2.891 12.978
367 2HD LYS 43 1HD LYS 43 7.634 3.079 14.284
368 1HE LYS 43 2HE LYS 43 8.107 0.997 14.987
369 2HE LYS 43 1HE LYS 43 7.529 0.362 13.446
370 1HZ LYS 43 1HZ LYS 43 9.859 1.118 12.631
371 2HZ LYS 43 2HZ LYS 43 9.689 -0.354 13.462
372 3HZ LYS 43 3HZ LYS 43 10.270 1.021 14.274
373 H LEU 44 H LEU 44 5.860 -1.282 9.400
374 HA LEU 44 HA LEU 44 3.623 0.344 8.400
375 1HB LEU 44 2HB LEU 44 5.215 -1.974 7.386
376 2HB LEU 44 1HB LEU 44 3.586 -1.757 6.744
377 HG LEU 44 HG LEU 44 5.828 0.287 6.718
378 1HD1 LEU 44 1HD1 LEU 44 5.115 -1.795 4.935
379 2HD1 LEU 44 2HD1 LEU 44 6.266 -0.489 4.649
380 3HD1 LEU 44 3HD1 LEU 44 4.575 -0.293 4.184
381 1HD2 LEU 44 1HD2 LEU 44 3.968 1.657 6.957
382 2HD2 LEU 44 2HD2 LEU 44 2.878 0.480 6.222
383 3HD2 LEU 44 3HD2 LEU 44 3.962 1.432 5.207
384 H THR 45 H THR 45 1.533 -0.032 8.949
385 HA THR 45 HA THR 45 0.900 -2.649 10.246
386 HB THR 45 HB THR 45 -1.150 -1.305 11.077
387 HG1 THR 45 1HG THR 45 -0.748 0.942 11.118
388 1HG2 THR 45 1HG2 THR 45 0.205 -0.284 12.909
389 2HG2 THR 45 2HG2 THR 45 1.663 -0.614 11.972
390 3HG2 THR 45 3HG2 THR 45 0.672 -1.949 12.560
391 H ARG 46 H ARG 46 -1.236 -3.568 9.741
392 HA ARG 46 HA ARG 46 -1.812 -3.401 6.886
393 1HB ARG 46 2HB ARG 46 -3.338 -5.215 7.277
394 2HB ARG 46 1HB ARG 46 -1.928 -5.517 8.295
395 1HG ARG 46 2HG ARG 46 -3.154 -4.357 10.178
396 2HG ARG 46 1HG ARG 46 -4.587 -4.348 9.150
397 1HD ARG 46 2HD ARG 46 -3.960 -6.937 8.909
398 2HD ARG 46 1HD ARG 46 -3.227 -6.642 10.486
399 HE ARG 46 HE ARG 46 -5.940 -7.078 10.190
400 1HH1 ARG 46 1HH1 ARG 46 -4.186 -5.849 12.555
401 2HH1 ARG 46 2HH1 ARG 46 -5.252 -4.569 13.032
402 1HH2 ARG 46 1HH2 ARG 46 -7.236 -4.810 10.197
403 2HH2 ARG 46 2HH2 ARG 46 -6.980 -3.982 11.697
404 H GLU 47 H GLU 47 -2.972 -1.851 9.732
405 HA GLU 47 HA GLU 47 -5.647 -1.265 8.763
406 1HB GLU 47 2HB GLU 47 -4.082 0.316 10.815
407 2HB GLU 47 1HB GLU 47 -5.834 0.174 10.669
408 1HG GLU 47 2HG GLU 47 -5.887 -1.854 11.711
409 2HG GLU 47 1HG GLU 47 -4.382 -2.389 10.963
410 H ASN 48 H ASN 48 -2.492 0.102 8.264
411 HA ASN 48 HA ASN 48 -3.489 2.699 7.360
412 1HB ASN 48 2HB ASN 48 -0.812 1.341 7.446
413 2HB ASN 48 1HB ASN 48 -1.026 2.769 6.434
414 1HD2 ASN 48 1HD2 ASN 48 0.402 2.273 9.166
415 2HD2 ASN 48 2HD2 ASN 48 -0.178 3.535 10.141
416 H VAL 49 H VAL 49 -2.420 -0.329 5.852
417 HA VAL 49 HA VAL 49 -2.740 0.769 3.151
418 HB VAL 49 HB VAL 49 -2.193 -2.030 4.178
419 1HG1 VAL 49 1HG1 VAL 49 -1.764 -2.611 1.819
420 2HG1 VAL 49 2HG1 VAL 49 -2.266 -0.994 1.327
421 3HG1 VAL 49 3HG1 VAL 49 -3.437 -2.101 2.044
422 1HG2 VAL 49 1HG2 VAL 49 -0.112 -1.149 4.350
423 2HG2 VAL 49 2HG2 VAL 49 -0.572 0.306 3.466
424 3HG2 VAL 49 3HG2 VAL 49 -0.095 -1.147 2.587
425 H ALA 50 H ALA 50 -4.663 -0.962 5.478
426 HA ALA 50 HA ALA 50 -6.616 -1.943 3.566
427 1HB ALA 50 1HB ALA 50 -7.994 -2.392 5.596
428 2HB ALA 50 2HB ALA 50 -6.783 -1.556 6.569
429 3HB ALA 50 3HB ALA 50 -6.363 -3.050 5.730
430 H SER 51 H SER 51 -6.366 0.896 5.682
431 HA SER 51 HA SER 51 -9.006 1.896 5.038
432 1HB SER 51 2HB SER 51 -6.552 3.090 6.317
433 2HB SER 51 1HB SER 51 -7.942 4.097 5.923
434 HG SER 51 HG SER 51 -7.728 1.937 7.716
435 H HIS 52 H HIS 52 -5.748 2.468 3.751
436 HA HIS 52 HA HIS 52 -6.559 4.582 1.955
437 1HB HIS 52 2HB HIS 52 -4.217 4.353 2.543
438 2HB HIS 52 1HB HIS 52 -4.180 2.702 1.925
439 HD1 HIS 52 1HD HIS 52 -3.406 6.063 0.926
440 HD2 HIS 52 2HD HIS 52 -4.918 2.709 -1.036
441 HE1 HIS 52 1HE HIS 52 -3.054 6.463 -1.550
442 H LEU 53 H LEU 53 -6.654 1.100 1.843
443 HA LEU 53 HA LEU 53 -6.943 0.870 -1.029
444 1HB LEU 53 2HB LEU 53 -6.213 -1.045 0.290
445 2HB LEU 53 1HB LEU 53 -7.708 -1.007 1.227
446 HG LEU 53 HG LEU 53 -8.808 -1.177 -1.194
447 1HD1 LEU 53 1HD1 LEU 53 -7.260 -2.913 -2.418
448 2HD1 LEU 53 2HD1 LEU 53 -5.972 -2.121 -1.509
449 3HD1 LEU 53 3HD1 LEU 53 -6.964 -1.188 -2.629
450 1HD2 LEU 53 1HD2 LEU 53 -9.349 -2.850 0.359
451 2HD2 LEU 53 2HD2 LEU 53 -7.664 -3.321 0.583
452 3HD2 LEU 53 3HD2 LEU 53 -8.514 -3.765 -0.898
453 H GLN 54 H GLN 54 -9.274 0.831 1.688
454 HA GLN 54 HA GLN 54 -11.573 0.675 -0.077
455 1HB GLN 54 2HB GLN 54 -11.159 1.186 2.855
456 2HB GLN 54 1HB GLN 54 -12.734 1.517 2.132
457 1HG GLN 54 2HG GLN 54 -11.715 -1.042 1.227
458 2HG GLN 54 1HG GLN 54 -11.767 -0.981 2.989
459 1HE2 GLN 54 1HE2 GLN 54 -13.992 0.350 3.677
460 2HE2 GLN 54 2HE2 GLN 54 -15.386 -0.295 2.955
461 H LYS 55 H LYS 55 -9.638 3.264 1.249
462 HA LYS 55 HA LYS 55 -11.611 5.332 0.591
463 1HB LYS 55 2HB LYS 55 -8.846 5.286 1.747
464 2HB LYS 55 1HB LYS 55 -9.450 6.791 1.051
465 1HG LYS 55 2HG LYS 55 -11.430 5.474 2.755
466 2HG LYS 55 1HG LYS 55 -9.954 5.888 3.627
467 1HD LYS 55 2HD LYS 55 -10.153 8.200 2.498
468 2HD LYS 55 1HD LYS 55 -11.808 7.725 2.113
469 1HE LYS 55 2HE LYS 55 -12.383 7.496 4.419
470 2HE LYS 55 1HE LYS 55 -10.694 7.579 4.921
471 1HZ LYS 55 1HZ LYS 55 -11.244 9.865 3.429
472 2HZ LYS 55 2HZ LYS 55 -10.910 9.759 5.092
473 3HZ LYS 55 3HZ LYS 55 -12.514 9.686 4.539
474 H PHE 56 H PHE 56 -8.949 3.727 -0.976
475 HA PHE 56 HA PHE 56 -8.462 5.799 -2.948
476 1HB PHE 56 2HB PHE 56 -6.893 3.863 -2.281
477 2HB PHE 56 1HB PHE 56 -7.895 2.854 -3.325
478 HD1 PHE 56 1HD PHE 56 -7.765 3.015 -5.714
479 HD2 PHE 56 2HD PHE 56 -5.692 5.844 -3.233
480 HE1 PHE 56 1HE PHE 56 -6.542 3.858 -7.699
481 HE2 PHE 56 2HE PHE 56 -4.468 6.687 -5.219
482 HZ PHE 56 HZ PHE 56 -4.892 5.694 -7.451
483 H ARG 57 H ARG 57 -10.435 2.826 -2.879
484 HA ARG 57 HA ARG 57 -11.322 2.985 -5.600
485 1HB ARG 57 2HB ARG 57 -12.730 1.862 -3.150
486 2HB ARG 57 1HB ARG 57 -13.236 1.584 -4.818
487 1HG ARG 57 2HG ARG 57 -10.450 0.997 -4.662
488 2HG ARG 57 1HG ARG 57 -11.242 0.181 -3.313
489 1HD ARG 57 2HD ARG 57 -12.422 0.050 -6.081
490 2HD ARG 57 1HD ARG 57 -11.129 -1.050 -5.605
491 HE ARG 57 HE ARG 57 -12.622 -1.983 -3.912
492 1HH1 ARG 57 1HH2 ARG 57 -14.023 -0.850 -6.702
493 2HH1 ARG 57 2HH2 ARG 57 -15.636 -0.746 -6.080
494 1HH2 ARG 57 1HH1 ARG 57 -14.689 -1.324 -2.794
495 2HH2 ARG 57 2HH1 ARG 57 -16.013 -1.016 -3.867
496 H VAL 58 H VAL 58 -12.638 4.330 -2.572
497 HA VAL 58 HA VAL 58 -14.920 5.589 -3.789
498 HB VAL 58 HB VAL 58 -13.357 6.247 -1.270
499 1HG1 VAL 58 1HG1 VAL 58 -16.125 7.239 -1.968
500 2HG1 VAL 58 2HG1 VAL 58 -14.681 8.174 -2.353
501 3HG1 VAL 58 3HG1 VAL 58 -15.061 7.791 -0.675
502 1HG2 VAL 58 1HG2 VAL 58 -15.415 5.250 -0.204
503 2HG2 VAL 58 2HG2 VAL 58 -14.472 4.098 -1.150
504 3HG2 VAL 58 3HG2 VAL 58 -15.956 4.780 -1.816
505 H ALA 59 H ALA 59 -11.561 6.505 -3.314
506 HA ALA 59 HA ALA 59 -11.939 9.227 -4.312
507 1HB ALA 59 1HB ALA 59 -10.101 8.385 -2.688
508 2HB ALA 59 2HB ALA 59 -9.615 9.500 -3.966
509 3HB ALA 59 3HB ALA 59 -9.302 7.773 -4.136
510 H LEU 60 H LEU 60 -11.689 6.143 -5.673
511 HA LEU 60 HA LEU 60 -10.332 6.903 -8.138
512 1HB LEU 60 2HB LEU 60 -11.638 4.453 -7.036
513 2HB LEU 60 1HB LEU 60 -11.492 4.574 -8.787
514 HG LEU 60 HG LEU 60 -9.145 5.089 -6.958
515 1HD1 LEU 60 1HD1 LEU 60 -8.568 2.654 -7.857
516 2HD1 LEU 60 2HD1 LEU 60 -10.324 2.505 -7.900
517 3HD1 LEU 60 3HD1 LEU 60 -9.507 2.875 -6.382
518 1HD2 LEU 60 1HD2 LEU 60 -8.612 5.869 -9.094
519 2HD2 LEU 60 2HD2 LEU 60 -9.605 4.651 -9.895
520 3HD2 LEU 60 3HD2 LEU 60 -8.053 4.198 -9.189
521 H LYS 61 H LYS 61 -13.221 7.840 -6.979
522 HA LYS 61 HA LYS 61 -14.758 7.449 -9.480
523 1HB LYS 61 2HB LYS 61 -15.994 7.143 -7.412
524 2HB LYS 61 1HB LYS 61 -15.477 8.725 -6.824
525 1HG LYS 61 2HG LYS 61 -17.127 9.767 -7.954
526 2HG LYS 61 1HG LYS 61 -16.707 8.931 -9.449
527 1HD LYS 61 2HD LYS 61 -17.847 6.880 -8.139
528 2HD LYS 61 1HD LYS 61 -18.722 8.210 -7.378
529 1HE LYS 61 2HE LYS 61 -20.025 8.387 -9.201
530 2HE LYS 61 1HE LYS 61 -18.601 8.752 -10.174
531 1HZ LYS 61 1HZ LYS 61 -19.503 6.010 -9.479
532 2HZ LYS 61 2HZ LYS 61 -18.232 6.427 -10.526
533 3HZ LYS 61 3HZ LYS 61 -19.838 6.784 -10.950
534 H LYS 62 H LYS 62 -12.960 9.911 -7.759
535 HA LYS 62 HA LYS 62 -13.731 11.871 -9.886
536 1HB LYS 62 2HB LYS 62 -14.030 12.190 -7.174
537 2HB LYS 62 1HB LYS 62 -12.455 12.936 -7.451
538 1HG LYS 62 2HG LYS 62 -13.322 14.601 -8.799
539 2HG LYS 62 1HG LYS 62 -14.667 13.600 -9.348
540 1HD LYS 62 2HD LYS 62 -15.948 14.716 -7.862
541 2HD LYS 62 1HD LYS 62 -15.085 13.833 -6.602
542 1HE LYS 62 2HE LYS 62 -14.186 15.761 -5.874
543 2HE LYS 62 1HE LYS 62 -13.413 15.985 -7.442
544 1HZ LYS 62 1HZ LYS 62 -14.811 17.852 -6.995
545 2HZ LYS 62 2HZ LYS 62 -16.143 16.851 -6.662
546 3HZ LYS 62 3HZ LYS 62 -15.524 16.949 -8.241
547 H VAL 63 H VAL 63 -11.856 10.309 -10.814
548 HA VAL 63 HA VAL 63 -9.273 11.720 -10.274
549 HB VAL 63 HB VAL 63 -9.231 9.353 -9.531
550 1HG1 VAL 63 1HG1 VAL 63 -10.345 7.814 -10.738
551 2HG1 VAL 63 2HG1 VAL 63 -9.177 8.024 -12.042
552 3HG1 VAL 63 3HG1 VAL 63 -10.647 8.998 -12.010
553 1HG2 VAL 63 1HG2 VAL 63 -7.129 8.917 -10.431
554 2HG2 VAL 63 2HG2 VAL 63 -7.292 10.632 -10.809
555 3HG2 VAL 63 3HG2 VAL 63 -7.605 9.421 -12.053
556 H SER 64 H SER 64 -10.149 13.208 -12.002
557 HA SER 64 HA SER 64 -10.408 12.148 -14.708
558 1HB SER 64 2HB SER 64 -10.156 14.774 -15.146
559 2HB SER 64 1HB SER 64 -11.656 14.080 -14.539
560 HG SER 64 HG SER 64 -11.252 15.590 -13.068
Start of MODEL 7
1 1H THR 1 1HT THR 1 27.560 10.647 -3.387
2 2H THR 1 2HT THR 1 28.145 9.057 -3.261
3 3H THR 1 3HT THR 1 28.533 10.205 -2.070
4 HA THR 1 HA THR 1 25.808 9.172 -2.642
5 HB THR 1 HB THR 1 26.697 8.639 0.009
6 HG1 THR 1 1HG THR 1 28.576 7.587 -0.311
7 1HG2 THR 1 1HG2 THR 1 25.053 7.366 -1.379
8 2HG2 THR 1 2HG2 THR 1 26.276 6.332 -0.642
9 3HG2 THR 1 3HG2 THR 1 26.394 6.760 -2.348
10 H ALA 2 H ALA 2 24.289 10.621 -2.004
11 HA ALA 2 HA ALA 2 24.963 12.477 0.233
12 1HB ALA 2 1HB ALA 2 24.048 14.361 -0.941
13 2HB ALA 2 2HB ALA 2 23.450 13.335 -2.245
14 3HB ALA 2 3HB ALA 2 25.184 13.587 -2.046
15 H GLN 3 H GLN 3 23.636 11.008 1.518
16 HA GLN 3 HA GLN 3 21.598 10.571 2.611
17 1HB GLN 3 2HB GLN 3 21.119 12.983 1.123
18 2HB GLN 3 1HB GLN 3 19.693 11.950 1.015
19 1HG GLN 3 2HG GLN 3 19.432 11.863 3.365
20 2HG GLN 3 1HG GLN 3 21.072 12.446 3.652
21 1HE2 GLN 3 1HE2 GLN 3 21.509 14.770 3.097
22 2HE2 GLN 3 2HE2 GLN 3 20.227 15.884 3.114
23 H LYS 4 H LYS 4 20.148 8.881 2.351
24 HA LYS 4 HA LYS 4 19.587 8.003 -0.450
25 1HB LYS 4 2HB LYS 4 20.395 6.286 1.915
26 2HB LYS 4 1HB LYS 4 19.782 5.642 0.392
27 1HG LYS 4 2HG LYS 4 21.720 6.085 -0.729
28 2HG LYS 4 1HG LYS 4 21.994 7.595 0.140
29 1HD LYS 4 2HD LYS 4 23.726 6.144 0.879
30 2HD LYS 4 1HD LYS 4 22.536 6.130 2.182
31 1HE LYS 4 2HE LYS 4 22.337 3.902 1.965
32 2HE LYS 4 1HE LYS 4 21.781 4.119 0.306
33 1HZ LYS 4 1HZ LYS 4 24.424 3.428 1.304
34 2HZ LYS 4 2HZ LYS 4 24.380 4.489 -0.021
35 3HZ LYS 4 3HZ LYS 4 23.648 2.960 -0.128
36 H LYS 5 H LYS 5 17.565 9.276 0.113
37 HA LYS 5 HA LYS 5 15.318 9.351 0.795
38 1HB LYS 5 2HB LYS 5 15.243 7.388 -0.700
39 2HB LYS 5 1HB LYS 5 15.685 6.343 0.651
40 1HG LYS 5 2HG LYS 5 13.590 6.385 1.528
41 2HG LYS 5 1HG LYS 5 13.382 8.103 1.188
42 1HD LYS 5 2HD LYS 5 13.241 5.919 -0.911
43 2HD LYS 5 1HD LYS 5 11.835 6.650 -0.139
44 1HE LYS 5 2HE LYS 5 12.047 8.613 -1.291
45 2HE LYS 5 1HE LYS 5 13.810 8.539 -1.292
46 1HZ LYS 5 1HZ LYS 5 11.935 7.055 -3.041
47 2HZ LYS 5 2HZ LYS 5 13.585 6.669 -2.916
48 3HZ LYS 5 3HZ LYS 5 13.107 8.190 -3.503
49 HA PRO 6 HA PRO 6 16.139 8.697 5.206
50 1HB PRO 6 2HB PRO 6 14.864 11.005 5.979
51 2HB PRO 6 1HB PRO 6 16.554 10.953 5.449
52 1HG PRO 6 2HG PRO 6 14.160 11.967 3.990
53 2HG PRO 6 1HG PRO 6 15.862 12.424 3.808
54 1HD PRO 6 2HD PRO 6 14.409 10.691 2.096
55 2HD PRO 6 1HD PRO 6 16.171 10.919 2.108
56 H ARG 7 H ARG 7 14.744 7.158 6.020
57 HA ARG 7 HA ARG 7 12.744 6.100 6.647
58 1HB ARG 7 2HB ARG 7 12.158 9.030 7.071
59 2HB ARG 7 1HB ARG 7 10.951 7.794 7.430
60 1HG ARG 7 2HG ARG 7 12.707 6.639 8.850
61 2HG ARG 7 1HG ARG 7 13.710 8.075 8.643
62 1HD ARG 7 2HD ARG 7 11.274 9.147 9.383
63 2HD ARG 7 1HD ARG 7 11.356 7.675 10.350
64 HE ARG 7 HE ARG 7 13.813 8.706 10.814
65 1HH1 ARG 7 1HH1 ARG 7 10.605 9.953 10.935
66 2HH1 ARG 7 2HH1 ARG 7 11.019 11.287 11.958
67 1HH2 ARG 7 1HH2 ARG 7 14.400 10.524 12.040
68 2HH2 ARG 7 2HH2 ARG 7 13.164 11.610 12.584
69 H VAL 8 H VAL 8 11.819 5.064 4.911
70 HA VAL 8 HA VAL 8 10.514 6.660 2.793
71 HB VAL 8 HB VAL 8 10.528 3.652 2.964
72 1HG1 VAL 8 1HG1 VAL 8 9.205 4.607 1.178
73 2HG1 VAL 8 2HG1 VAL 8 10.681 3.961 0.463
74 3HG1 VAL 8 3HG1 VAL 8 10.514 5.696 0.727
75 1HG2 VAL 8 1HG2 VAL 8 12.773 3.590 2.814
76 2HG2 VAL 8 2HG2 VAL 8 12.838 5.347 2.940
77 3HG2 VAL 8 3HG2 VAL 8 12.694 4.581 1.358
78 H LEU 9 H LEU 9 8.441 7.288 3.172
79 HA LEU 9 HA LEU 9 6.701 5.496 4.806
80 1HB LEU 9 2HB LEU 9 7.079 7.970 5.433
81 2HB LEU 9 1HB LEU 9 6.089 8.349 4.023
82 HG LEU 9 HG LEU 9 4.307 6.832 4.971
83 1HD1 LEU 9 1HD1 LEU 9 6.440 6.270 6.816
84 2HD1 LEU 9 2HD1 LEU 9 4.852 5.511 6.708
85 3HD1 LEU 9 3HD1 LEU 9 5.075 6.949 7.704
86 1HD2 LEU 9 1HD2 LEU 9 5.139 9.116 6.787
87 2HD2 LEU 9 2HD2 LEU 9 3.507 8.482 6.575
88 3HD2 LEU 9 3HD2 LEU 9 4.304 9.326 5.248
89 H TRP 10 H TRP 10 6.961 7.230 1.745
90 HA TRP 10 HA TRP 10 5.281 5.331 0.369
91 1HB TRP 10 2HB TRP 10 4.087 7.930 1.290
92 2HB TRP 10 1HB TRP 10 3.602 7.270 -0.272
93 HD1 TRP 10 HD TRP 10 2.307 7.306 2.988
94 HE1 TRP 10 1HE TRP 10 1.005 5.166 3.598
95 HE3 TRP 10 3HE TRP 10 3.991 4.179 -0.678
96 HZ2 TRP 10 2HZ TRP 10 0.717 2.480 2.652
97 HZ3 TRP 10 3HZ TRP 10 3.188 1.837 -0.801
98 HH2 TRP 10 HH TRP 10 1.555 0.984 0.857
99 H THR 11 H THR 11 7.554 5.672 -0.603
100 HA THR 11 HA THR 11 7.510 8.000 -2.485
101 HB THR 11 HB THR 11 9.988 7.645 -2.637
102 HG1 THR 11 1HG THR 11 10.827 5.981 -1.697
103 1HG2 THR 11 1HG2 THR 11 9.945 8.021 0.178
104 2HG2 THR 11 2HG2 THR 11 8.451 8.707 -0.460
105 3HG2 THR 11 3HG2 THR 11 10.009 9.259 -1.076
106 H HIS 12 H HIS 12 8.900 7.408 -4.542
107 HA HIS 12 HA HIS 12 7.500 5.486 -6.052
108 1HB HIS 12 2HB HIS 12 9.457 7.349 -6.581
109 2HB HIS 12 1HB HIS 12 10.311 5.831 -6.853
110 HD1 HIS 12 1HD HIS 12 9.755 7.495 -9.308
111 HD2 HIS 12 2HD HIS 12 7.040 4.678 -7.870
112 HE1 HIS 12 1HE HIS 12 8.270 6.870 -11.262
113 H GLU 13 H GLU 13 10.107 5.049 -3.791
114 HA GLU 13 HA GLU 13 10.903 2.427 -4.798
115 1HB GLU 13 2HB GLU 13 12.370 4.004 -3.434
116 2HB GLU 13 1HB GLU 13 11.399 3.553 -2.032
117 1HG GLU 13 2HG GLU 13 12.008 1.217 -2.291
118 2HG GLU 13 1HG GLU 13 12.848 1.565 -3.804
119 H LEU 14 H LEU 14 9.346 3.438 -1.737
120 HA LEU 14 HA LEU 14 8.505 0.845 -0.964
121 1HB LEU 14 2HB LEU 14 7.705 3.630 -0.274
122 2HB LEU 14 1HB LEU 14 6.586 2.345 0.171
123 HG LEU 14 HG LEU 14 9.515 2.526 0.930
124 1HD1 LEU 14 1HD1 LEU 14 8.745 2.902 3.147
125 2HD1 LEU 14 2HD1 LEU 14 7.095 2.436 2.738
126 3HD1 LEU 14 3HD1 LEU 14 7.754 3.958 2.141
127 1HD2 LEU 14 1HD2 LEU 14 7.640 0.277 0.804
128 2HD2 LEU 14 2HD2 LEU 14 8.324 0.506 2.414
129 3HD2 LEU 14 3HD2 LEU 14 9.389 0.265 1.029
130 H HIS 15 H HIS 15 7.290 2.932 -3.424
131 HA HIS 15 HA HIS 15 4.603 1.823 -3.511
132 1HB HIS 15 2HB HIS 15 5.322 4.091 -4.424
133 2HB HIS 15 1HB HIS 15 6.068 3.217 -5.761
134 HD1 HIS 15 1HD HIS 15 2.860 1.998 -4.249
135 HD2 HIS 15 2HD HIS 15 4.098 4.108 -7.624
136 HE1 HIS 15 1HE HIS 15 0.859 2.111 -5.796
137 H ASN 16 H ASN 16 7.688 1.087 -5.059
138 HA ASN 16 HA ASN 16 6.628 -0.693 -7.054
139 1HB ASN 16 2HB ASN 16 9.339 -0.301 -5.802
140 2HB ASN 16 1HB ASN 16 9.051 -1.648 -6.904
141 1HD2 ASN 16 1HD2 ASN 16 9.202 -1.181 -9.113
142 2HD2 ASN 16 2HD2 ASN 16 9.212 0.384 -9.769
143 H LYS 17 H LYS 17 7.478 -1.095 -3.667
144 HA LYS 17 HA LYS 17 7.351 -4.011 -3.764
145 1HB LYS 17 2HB LYS 17 7.115 -2.269 -1.301
146 2HB LYS 17 1HB LYS 17 7.699 -3.931 -1.401
147 1HG LYS 17 2HG LYS 17 9.656 -3.212 -2.668
148 2HG LYS 17 1HG LYS 17 9.052 -1.555 -2.714
149 1HD LYS 17 2HD LYS 17 9.102 -1.552 -0.192
150 2HD LYS 17 1HD LYS 17 9.914 -3.115 -0.264
151 1HE LYS 17 2HE LYS 17 11.179 -1.205 -2.048
152 2HE LYS 17 1HE LYS 17 11.134 -0.592 -0.395
153 1HZ LYS 17 1HZ LYS 17 11.810 -3.326 -0.370
154 2HZ LYS 17 2HZ LYS 17 12.725 -1.999 0.168
155 3HZ LYS 17 3HZ LYS 17 12.841 -2.514 -1.447
156 H PHE 18 H PHE 18 5.162 -1.372 -2.845
157 HA PHE 18 HA PHE 18 3.079 -3.165 -1.901
158 1HB PHE 18 2HB PHE 18 3.159 -0.877 -1.072
159 2HB PHE 18 1HB PHE 18 3.009 -0.244 -2.711
160 HD1 PHE 18 1HD PHE 18 0.887 0.376 -3.446
161 HD2 PHE 18 2HD PHE 18 1.255 -2.650 -0.420
162 HE1 PHE 18 1HE PHE 18 -1.584 0.246 -3.274
163 HE2 PHE 18 2HE PHE 18 -1.215 -2.778 -0.247
164 HZ PHE 18 HZ PHE 18 -2.635 -1.330 -1.675
165 H LEU 19 H LEU 19 4.054 -1.916 -4.997
166 HA LEU 19 HA LEU 19 1.468 -2.464 -6.264
167 1HB LEU 19 2HB LEU 19 4.129 -1.436 -7.149
168 2HB LEU 19 1HB LEU 19 3.089 -2.173 -8.369
169 HG LEU 19 HG LEU 19 1.897 -0.177 -6.478
170 1HD1 LEU 19 1HD1 LEU 19 3.624 1.224 -7.131
171 2HD1 LEU 19 2HD1 LEU 19 2.508 1.471 -8.475
172 3HD1 LEU 19 3HD1 LEU 19 3.877 0.373 -8.655
173 1HD2 LEU 19 1HD2 LEU 19 0.353 0.149 -8.255
174 2HD2 LEU 19 2HD2 LEU 19 0.655 -1.588 -8.245
175 3HD2 LEU 19 3HD2 LEU 19 1.446 -0.563 -9.442
176 H ALA 20 H ALA 20 4.623 -4.056 -5.984
177 HA ALA 20 HA ALA 20 3.879 -6.200 -7.820
178 1HB ALA 20 1HB ALA 20 5.961 -7.136 -6.200
179 2HB ALA 20 2HB ALA 20 6.240 -5.399 -6.307
180 3HB ALA 20 3HB ALA 20 6.134 -6.368 -7.778
181 H ALA 21 H ALA 21 3.514 -5.536 -4.428
182 HA ALA 21 HA ALA 21 3.006 -8.303 -3.662
183 1HB ALA 21 1HB ALA 21 2.868 -5.628 -2.351
184 2HB ALA 21 2HB ALA 21 3.605 -7.122 -1.776
185 3HB ALA 21 3HB ALA 21 1.859 -6.904 -1.669
186 H VAL 22 H VAL 22 1.023 -5.444 -4.405
187 HA VAL 22 HA VAL 22 -1.511 -6.748 -3.964
188 HB VAL 22 HB VAL 22 -0.938 -4.480 -5.889
189 1HG1 VAL 22 1HG1 VAL 22 -3.354 -4.331 -4.303
190 2HG1 VAL 22 2HG1 VAL 22 -3.280 -5.860 -5.180
191 3HG1 VAL 22 3HG1 VAL 22 -3.173 -4.334 -6.058
192 1HG2 VAL 22 1HG2 VAL 22 -0.197 -4.485 -3.252
193 2HG2 VAL 22 2HG2 VAL 22 -1.835 -3.838 -3.157
194 3HG2 VAL 22 3HG2 VAL 22 -0.627 -3.039 -4.163
195 H ASP 23 H ASP 23 0.462 -6.142 -6.841
196 HA ASP 23 HA ASP 23 -1.250 -7.340 -8.768
197 1HB ASP 23 2HB ASP 23 0.939 -5.978 -9.068
198 2HB ASP 23 1HB ASP 23 1.755 -7.522 -8.876
199 H HIS 24 H HIS 24 1.341 -8.712 -6.765
200 HA HIS 24 HA HIS 24 1.294 -11.349 -7.823
201 1HB HIS 24 2HB HIS 24 3.059 -10.649 -6.305
202 2HB HIS 24 1HB HIS 24 1.891 -10.386 -5.011
203 HD1 HIS 24 1HD HIS 24 2.437 -13.342 -7.373
204 HD2 HIS 24 2HD HIS 24 2.155 -12.527 -3.296
205 HE1 HIS 24 1HE HIS 24 2.603 -15.572 -6.184
206 H LEU 25 H LEU 25 -0.958 -9.695 -5.754
207 HA LEU 25 HA LEU 25 -2.393 -12.275 -5.272
208 1HB LEU 25 2HB LEU 25 -2.893 -9.678 -3.817
209 2HB LEU 25 1HB LEU 25 -3.332 -11.310 -3.314
210 HG LEU 25 HG LEU 25 -0.433 -10.725 -3.752
211 1HD1 LEU 25 1HD1 LEU 25 -2.050 -9.109 -2.065
212 2HD1 LEU 25 2HD1 LEU 25 -0.290 -9.144 -2.158
213 3HD1 LEU 25 3HD1 LEU 25 -1.133 -10.190 -1.016
214 1HD2 LEU 25 1HD2 LEU 25 -2.057 -12.780 -2.631
215 2HD2 LEU 25 2HD2 LEU 25 -1.121 -12.076 -1.312
216 3HD2 LEU 25 3HD2 LEU 25 -0.297 -12.729 -2.729
217 H GLY 26 H GLY 26 -2.428 -9.618 -7.268
218 1HA GLY 26 2HA GLY 26 -4.093 -9.050 -8.868
219 2HA GLY 26 1HA GLY 26 -5.225 -10.106 -8.018
220 H VAL 27 H VAL 27 -4.278 -6.874 -8.492
221 HA VAL 27 HA VAL 27 -4.928 -5.619 -6.056
222 HB VAL 27 HB VAL 27 -3.991 -4.403 -7.981
223 1HG1 VAL 27 1HG1 VAL 27 -4.905 -4.688 -10.016
224 2HG1 VAL 27 2HG1 VAL 27 -6.357 -3.852 -9.465
225 3HG1 VAL 27 3HG1 VAL 27 -6.234 -5.604 -9.309
226 1HG2 VAL 27 1HG2 VAL 27 -6.673 -3.438 -6.948
227 2HG2 VAL 27 2HG2 VAL 27 -5.584 -2.425 -7.896
228 3HG2 VAL 27 3HG2 VAL 27 -5.075 -3.035 -6.322
229 H GLU 28 H GLU 28 -6.978 -7.306 -8.245
230 HA GLU 28 HA GLU 28 -9.458 -5.977 -7.657
231 1HB GLU 28 2HB GLU 28 -8.604 -8.191 -9.218
232 2HB GLU 28 1HB GLU 28 -9.874 -8.779 -8.143
233 1HG GLU 28 2HG GLU 28 -11.215 -7.953 -9.819
234 2HG GLU 28 1HG GLU 28 -11.011 -6.462 -8.897
235 H ARG 29 H ARG 29 -7.923 -8.879 -6.240
236 HA ARG 29 HA ARG 29 -9.829 -8.608 -3.946
237 1HB ARG 29 2HB ARG 29 -8.636 -11.003 -5.309
238 2HB ARG 29 1HB ARG 29 -9.077 -11.108 -3.605
239 1HG ARG 29 2HG ARG 29 -11.163 -11.584 -4.347
240 2HG ARG 29 1HG ARG 29 -11.278 -9.865 -4.723
241 1HD ARG 29 2HD ARG 29 -10.290 -10.365 -6.983
242 2HD ARG 29 1HD ARG 29 -10.402 -12.082 -6.596
243 HE ARG 29 HE ARG 29 -12.896 -10.494 -6.410
244 1HH1 ARG 29 1HH2 ARG 29 -10.848 -12.154 -8.570
245 2HH1 ARG 29 2HH2 ARG 29 -12.123 -13.040 -9.338
246 1HH2 ARG 29 1HH1 ARG 29 -14.580 -11.891 -7.177
247 2HH2 ARG 29 2HH1 ARG 29 -14.236 -12.892 -8.549
248 H ALA 30 H ALA 30 -6.912 -7.605 -4.615
249 HA ALA 30 HA ALA 30 -5.230 -8.861 -2.633
250 1HB ALA 30 1HB ALA 30 -5.057 -6.587 -4.484
251 2HB ALA 30 2HB ALA 30 -3.809 -7.729 -3.990
252 3HB ALA 30 3HB ALA 30 -4.182 -6.336 -2.975
253 H VAL 31 H VAL 31 -5.287 -8.573 -0.467
254 HA VAL 31 HA VAL 31 -6.777 -6.207 0.588
255 HB VAL 31 HB VAL 31 -6.946 -7.602 2.691
256 1HG1 VAL 31 1HG1 VAL 31 -8.404 -9.432 1.289
257 2HG1 VAL 31 2HG1 VAL 31 -8.212 -8.167 0.076
258 3HG1 VAL 31 3HG1 VAL 31 -8.957 -7.791 1.629
259 1HG2 VAL 31 1HG2 VAL 31 -6.270 -9.862 2.699
260 2HG2 VAL 31 2HG2 VAL 31 -4.939 -9.051 1.875
261 3HG2 VAL 31 3HG2 VAL 31 -6.152 -9.927 0.941
262 HA PRO 32 HA PRO 32 -3.065 -4.763 2.428
263 1HB PRO 32 2HB PRO 32 -4.074 -3.568 4.692
264 2HB PRO 32 1HB PRO 32 -4.231 -2.878 3.067
265 1HG PRO 32 2HG PRO 32 -6.295 -4.244 4.735
266 2HG PRO 32 1HG PRO 32 -6.503 -3.018 3.473
267 1HD PRO 32 2HD PRO 32 -6.953 -5.790 3.162
268 2HD PRO 32 1HD PRO 32 -6.796 -4.608 1.844
269 H LYS 33 H LYS 33 -5.128 -6.955 4.150
270 HA LYS 33 HA LYS 33 -3.456 -7.345 6.470
271 1HB LYS 33 2HB LYS 33 -5.737 -8.045 6.622
272 2HB LYS 33 1HB LYS 33 -5.617 -8.994 5.144
273 1HG LYS 33 2HG LYS 33 -3.660 -9.748 7.212
274 2HG LYS 33 1HG LYS 33 -5.341 -10.030 7.671
275 1HD LYS 33 2HD LYS 33 -5.022 -10.848 4.951
276 2HD LYS 33 1HD LYS 33 -3.721 -11.575 5.895
277 1HE LYS 33 2HE LYS 33 -5.712 -12.061 7.598
278 2HE LYS 33 1HE LYS 33 -6.676 -11.963 6.123
279 1HZ LYS 33 1HZ LYS 33 -4.516 -13.475 5.422
280 2HZ LYS 33 2HZ LYS 33 -6.073 -14.057 5.774
281 3HZ LYS 33 3HZ LYS 33 -4.884 -14.014 6.987
282 H LYS 34 H LYS 34 -3.959 -9.325 3.526
283 HA LYS 34 HA LYS 34 -1.750 -11.081 4.110
284 1HB LYS 34 2HB LYS 34 -3.061 -10.476 1.439
285 2HB LYS 34 1HB LYS 34 -2.034 -11.865 1.796
286 1HG LYS 34 2HG LYS 34 -3.839 -12.115 3.794
287 2HG LYS 34 1HG LYS 34 -4.853 -11.350 2.572
288 1HD LYS 34 2HD LYS 34 -4.033 -13.098 0.933
289 2HD LYS 34 1HD LYS 34 -3.281 -13.923 2.299
290 1HE LYS 34 2HE LYS 34 -5.321 -14.994 2.320
291 2HE LYS 34 1HE LYS 34 -5.726 -13.613 3.339
292 1HZ LYS 34 1HZ LYS 34 -6.751 -14.312 0.790
293 2HZ LYS 34 2HZ LYS 34 -6.060 -12.760 0.739
294 3HZ LYS 34 3HZ LYS 34 -7.283 -13.112 1.865
295 H ILE 35 H ILE 35 -2.075 -8.129 2.146
296 HA ILE 35 HA ILE 35 0.618 -8.262 1.126
297 HB ILE 35 HB ILE 35 -1.334 -5.974 1.434
298 1HG1 ILE 35 2HG1 ILE 35 -0.518 -7.909 -0.697
299 2HG1 ILE 35 1HG1 ILE 35 -2.112 -7.253 -0.334
300 1HG2 ILE 35 1HG2 ILE 35 1.439 -5.989 0.193
301 2HG2 ILE 35 2HG2 ILE 35 0.935 -5.066 1.608
302 3HG2 ILE 35 3HG2 ILE 35 0.272 -4.679 0.021
303 1HD1 ILE 35 1HD1 ILE 35 0.031 -6.173 -2.084
304 2HD1 ILE 35 2HD1 ILE 35 -0.857 -4.988 -1.124
305 3HD1 ILE 35 3HD1 ILE 35 -1.722 -6.046 -2.240
306 H LEU 36 H LEU 36 -0.799 -7.231 4.134
307 HA LEU 36 HA LEU 36 1.217 -5.503 5.105
308 1HB LEU 36 2HB LEU 36 -0.835 -5.938 6.384
309 2HB LEU 36 1HB LEU 36 -0.355 -7.620 6.615
310 HG LEU 36 HG LEU 36 1.770 -6.710 7.714
311 1HD1 LEU 36 1HD1 LEU 36 0.098 -4.201 7.981
312 2HD1 LEU 36 2HD1 LEU 36 1.364 -4.375 6.766
313 3HD1 LEU 36 3HD1 LEU 36 1.772 -4.441 8.480
314 1HD2 LEU 36 1HD2 LEU 36 0.677 -7.249 9.609
315 2HD2 LEU 36 2HD2 LEU 36 -0.840 -7.170 8.714
316 3HD2 LEU 36 3HD2 LEU 36 -0.234 -5.740 9.549
317 H ASP 37 H ASP 37 1.087 -9.038 4.893
318 HA ASP 37 HA ASP 37 3.647 -9.425 6.231
319 1HB ASP 37 2HB ASP 37 1.869 -11.173 4.522
320 2HB ASP 37 1HB ASP 37 3.463 -11.721 5.043
321 H LEU 38 H LEU 38 2.523 -9.009 2.917
322 HA LEU 38 HA LEU 38 4.898 -9.663 1.518
323 1HB LEU 38 2HB LEU 38 2.572 -7.836 1.001
324 2HB LEU 38 1HB LEU 38 3.967 -7.773 -0.076
325 HG LEU 38 HG LEU 38 2.882 -10.467 0.605
326 1HD1 LEU 38 1HD1 LEU 38 0.800 -9.962 -0.118
327 2HD1 LEU 38 2HD1 LEU 38 1.512 -9.703 -1.712
328 3HD1 LEU 38 3HD1 LEU 38 1.299 -8.343 -0.611
329 1HD2 LEU 38 1HD2 LEU 38 3.518 -10.861 -1.760
330 2HD2 LEU 38 2HD2 LEU 38 4.863 -10.186 -0.838
331 3HD2 LEU 38 3HD2 LEU 38 3.932 -9.154 -1.924
332 H MET 39 H MET 39 3.991 -6.779 3.331
333 HA MET 39 HA MET 39 6.267 -5.220 2.359
334 1HB MET 39 2HB MET 39 4.182 -4.816 4.502
335 2HB MET 39 1HB MET 39 5.561 -3.725 4.354
336 1HG MET 39 2HG MET 39 4.781 -3.807 1.769
337 2HG MET 39 1HG MET 39 3.224 -4.076 2.553
338 1HE MET 39 1HE MET 39 4.289 -0.243 1.370
339 2HE MET 39 2HE MET 39 3.084 -1.462 0.961
340 3HE MET 39 3HE MET 39 4.797 -1.832 0.782
341 H ASN 40 H ASN 40 5.402 -6.680 5.517
342 HA ASN 40 HA ASN 40 6.787 -7.347 7.294
343 1HB ASN 40 2HB ASN 40 7.586 -8.886 5.464
344 2HB ASN 40 1HB ASN 40 8.851 -7.711 5.101
345 1HD2 ASN 40 1HD2 ASN 40 7.587 -8.735 8.313
346 2HD2 ASN 40 2HD2 ASN 40 9.082 -9.297 8.887
347 H VAL 41 H VAL 41 6.788 -4.500 6.340
348 HA VAL 41 HA VAL 41 9.543 -3.601 6.893
349 HB VAL 41 HB VAL 41 7.041 -1.941 6.480
350 1HG1 VAL 41 1HG1 VAL 41 8.602 -0.155 5.963
351 2HG1 VAL 41 2HG1 VAL 41 9.970 -1.258 6.099
352 3HG1 VAL 41 3HG1 VAL 41 9.036 -0.834 7.533
353 1HG2 VAL 41 1HG2 VAL 41 8.979 -2.141 4.280
354 2HG2 VAL 41 2HG2 VAL 41 7.219 -2.246 4.237
355 3HG2 VAL 41 3HG2 VAL 41 8.177 -3.670 4.642
356 H ASP 42 H ASP 42 9.987 -2.085 8.658
357 HA ASP 42 HA ASP 42 8.486 -2.804 11.088
358 1HB ASP 42 2HB ASP 42 11.168 -2.150 10.496
359 2HB ASP 42 1HB ASP 42 10.554 -0.934 11.609
360 H LYS 43 H LYS 43 7.281 -1.354 12.299
361 HA LYS 43 HA LYS 43 6.317 0.698 12.931
362 1HB LYS 43 2HB LYS 43 7.425 2.629 12.459
363 2HB LYS 43 1HB LYS 43 8.656 1.549 11.815
364 1HG LYS 43 2HG LYS 43 7.128 1.742 9.620
365 2HG LYS 43 1HG LYS 43 6.704 3.284 10.365
366 1HD LYS 43 2HD LYS 43 8.811 4.150 10.095
367 2HD LYS 43 1HD LYS 43 9.595 2.586 10.324
368 1HE LYS 43 2HE LYS 43 8.301 2.093 8.006
369 2HE LYS 43 1HE LYS 43 8.545 3.832 7.837
370 1HZ LYS 43 1HZ LYS 43 10.740 3.581 7.599
371 2HZ LYS 43 2HZ LYS 43 10.378 1.963 7.230
372 3HZ LYS 43 3HZ LYS 43 10.851 2.393 8.804
373 H LEU 44 H LEU 44 6.059 -0.880 9.977
374 HA LEU 44 HA LEU 44 3.920 0.880 8.944
375 1HB LEU 44 2HB LEU 44 5.283 -1.606 7.916
376 2HB LEU 44 1HB LEU 44 3.790 -1.023 7.183
377 HG LEU 44 HG LEU 44 6.389 0.512 7.459
378 1HD1 LEU 44 1HD1 LEU 44 6.816 -0.289 5.401
379 2HD1 LEU 44 2HD1 LEU 44 5.318 0.434 4.814
380 3HD1 LEU 44 3HD1 LEU 44 5.315 -1.214 5.443
381 1HD2 LEU 44 1HD2 LEU 44 3.587 1.348 6.785
382 2HD2 LEU 44 2HD2 LEU 44 4.929 2.132 5.953
383 3HD2 LEU 44 3HD2 LEU 44 4.816 2.210 7.711
384 H THR 45 H THR 45 1.752 0.416 9.125
385 HA THR 45 HA THR 45 1.055 -2.077 10.623
386 HB THR 45 HB THR 45 -1.105 -0.603 11.073
387 HG1 THR 45 1HG THR 45 0.859 1.405 10.927
388 1HG2 THR 45 1HG2 THR 45 -0.274 -0.651 13.162
389 2HG2 THR 45 2HG2 THR 45 0.986 0.508 12.740
390 3HG2 THR 45 3HG2 THR 45 1.249 -1.216 12.477
391 H ARG 46 H ARG 46 -1.161 -2.934 10.083
392 HA ARG 46 HA ARG 46 -1.454 -3.099 7.182
393 1HB ARG 46 2HB ARG 46 -1.848 -5.118 8.427
394 2HB ARG 46 1HB ARG 46 -2.997 -4.307 9.491
395 1HG ARG 46 2HG ARG 46 -4.433 -3.863 7.457
396 2HG ARG 46 1HG ARG 46 -3.343 -4.905 6.542
397 1HD ARG 46 2HD ARG 46 -4.961 -6.440 7.199
398 2HD ARG 46 1HD ARG 46 -3.799 -6.598 8.516
399 HE ARG 46 HE ARG 46 -5.422 -5.694 9.961
400 1HH1 ARG 46 1HH1 ARG 46 -6.221 -5.177 6.646
401 2HH1 ARG 46 2HH1 ARG 46 -7.682 -4.316 6.997
402 1HH2 ARG 46 1HH2 ARG 46 -7.264 -4.463 10.435
403 2HH2 ARG 46 2HH2 ARG 46 -8.272 -3.911 9.139
404 H GLU 47 H GLU 47 -3.088 -1.479 9.842
405 HA GLU 47 HA GLU 47 -5.445 -0.734 8.350
406 1HB GLU 47 2HB GLU 47 -4.311 -0.213 10.988
407 2HB GLU 47 1HB GLU 47 -5.063 1.227 10.300
408 1HG GLU 47 2HG GLU 47 -7.166 0.184 10.100
409 2HG GLU 47 1HG GLU 47 -6.475 -1.434 10.219
410 H ASN 48 H ASN 48 -2.200 0.491 8.504
411 HA ASN 48 HA ASN 48 -2.791 3.160 7.547
412 1HB ASN 48 2HB ASN 48 -0.274 1.485 7.625
413 2HB ASN 48 1HB ASN 48 -0.302 3.107 6.930
414 1HD2 ASN 48 1HD2 ASN 48 0.952 4.127 8.606
415 2HD2 ASN 48 2HD2 ASN 48 0.388 4.283 10.199
416 H VAL 49 H VAL 49 -2.001 0.074 5.990
417 HA VAL 49 HA VAL 49 -1.917 1.306 3.326
418 HB VAL 49 HB VAL 49 -1.953 -1.612 4.165
419 1HG1 VAL 49 1HG1 VAL 49 -1.349 -0.276 1.509
420 2HG1 VAL 49 2HG1 VAL 49 -2.727 -1.318 1.863
421 3HG1 VAL 49 3HG1 VAL 49 -1.094 -1.986 1.855
422 1HG2 VAL 49 1HG2 VAL 49 0.305 0.269 3.405
423 2HG2 VAL 49 2HG2 VAL 49 0.486 -1.473 3.619
424 3HG2 VAL 49 3HG2 VAL 49 0.034 -0.459 4.989
425 H ALA 50 H ALA 50 -4.240 -0.288 5.391
426 HA ALA 50 HA ALA 50 -6.152 -0.924 3.324
427 1HB ALA 50 1HB ALA 50 -7.706 -1.315 5.132
428 2HB ALA 50 2HB ALA 50 -6.728 -0.358 6.245
429 3HB ALA 50 3HB ALA 50 -6.128 -1.907 5.654
430 H SER 51 H SER 51 -5.244 1.989 4.935
431 HA SER 51 HA SER 51 -7.737 3.418 4.559
432 1HB SER 51 2HB SER 51 -4.897 4.276 5.120
433 2HB SER 51 1HB SER 51 -6.181 5.451 4.855
434 HG SER 51 HG SER 51 -7.267 3.895 6.515
435 H HIS 52 H HIS 52 -4.619 3.434 2.797
436 HA HIS 52 HA HIS 52 -5.341 5.236 0.753
437 1HB HIS 52 2HB HIS 52 -3.057 4.470 0.922
438 2HB HIS 52 1HB HIS 52 -3.547 2.796 0.667
439 HD1 HIS 52 1HD HIS 52 -3.887 2.014 -1.727
440 HD2 HIS 52 2HD HIS 52 -3.296 6.132 -1.458
441 HE1 HIS 52 1HE HIS 52 -3.614 2.855 -4.100
442 H LEU 53 H LEU 53 -6.230 1.891 1.251
443 HA LEU 53 HA LEU 53 -7.268 1.462 -1.428
444 1HB LEU 53 2HB LEU 53 -6.599 -0.414 0.048
445 2HB LEU 53 1HB LEU 53 -7.896 0.013 1.164
446 HG LEU 53 HG LEU 53 -9.368 -0.166 -1.054
447 1HD1 LEU 53 1HD1 LEU 53 -6.804 -1.567 -1.647
448 2HD1 LEU 53 2HD1 LEU 53 -7.928 -0.766 -2.746
449 3HD1 LEU 53 3HD1 LEU 53 -8.293 -2.379 -2.132
450 1HD2 LEU 53 1HD2 LEU 53 -10.046 -2.320 -0.308
451 2HD2 LEU 53 2HD2 LEU 53 -9.425 -1.522 1.137
452 3HD2 LEU 53 3HD2 LEU 53 -8.431 -2.706 0.290
453 H GLN 54 H GLN 54 -8.605 2.587 1.647
454 HA GLN 54 HA GLN 54 -11.362 2.512 0.887
455 1HB GLN 54 2HB GLN 54 -9.758 3.989 2.942
456 2HB GLN 54 1HB GLN 54 -11.405 4.531 2.614
457 1HG GLN 54 2HG GLN 54 -12.284 2.315 3.100
458 2HG GLN 54 1HG GLN 54 -10.652 1.673 3.288
459 1HE2 GLN 54 1HE2 GLN 54 -12.319 4.618 4.568
460 2HE2 GLN 54 2HE2 GLN 54 -11.887 4.331 6.185
461 H LYS 55 H LYS 55 -8.804 4.905 0.385
462 HA LYS 55 HA LYS 55 -10.392 7.065 -0.524
463 1HB LYS 55 2HB LYS 55 -7.678 6.245 -1.605
464 2HB LYS 55 1HB LYS 55 -8.391 7.858 -1.661
465 1HG LYS 55 2HG LYS 55 -8.505 7.733 0.896
466 2HG LYS 55 1HG LYS 55 -7.448 6.327 0.769
467 1HD LYS 55 2HD LYS 55 -5.994 8.191 1.089
468 2HD LYS 55 1HD LYS 55 -5.892 7.800 -0.628
469 1HE LYS 55 2HE LYS 55 -6.148 10.190 -0.455
470 2HE LYS 55 1HE LYS 55 -7.680 9.539 -1.039
471 1HZ LYS 55 1HZ LYS 55 -7.916 9.439 1.669
472 2HZ LYS 55 2HZ LYS 55 -8.592 10.624 0.656
473 3HZ LYS 55 3HZ LYS 55 -7.095 10.901 1.411
474 H PHE 56 H PHE 56 -9.368 4.110 -2.149
475 HA PHE 56 HA PHE 56 -10.178 4.935 -4.799
476 1HB PHE 56 2HB PHE 56 -8.643 3.033 -4.441
477 2HB PHE 56 1HB PHE 56 -9.925 2.146 -3.617
478 HD1 PHE 56 1HD PHE 56 -10.980 0.529 -4.908
479 HD2 PHE 56 2HD PHE 56 -9.570 4.120 -6.798
480 HE1 PHE 56 1HE PHE 56 -11.822 -0.290 -7.093
481 HE2 PHE 56 2HE PHE 56 -10.412 3.301 -8.983
482 HZ PHE 56 HZ PHE 56 -11.538 1.096 -9.130
483 H ARG 57 H ARG 57 -11.785 2.948 -2.280
484 HA ARG 57 HA ARG 57 -14.198 2.460 -3.665
485 1HB ARG 57 2HB ARG 57 -13.610 2.902 -0.729
486 2HB ARG 57 1HB ARG 57 -15.236 2.534 -1.303
487 1HG ARG 57 2HG ARG 57 -14.577 0.414 -2.146
488 2HG ARG 57 1HG ARG 57 -12.864 0.822 -2.050
489 1HD ARG 57 2HD ARG 57 -13.058 -0.447 -0.129
490 2HD ARG 57 1HD ARG 57 -13.455 1.141 0.530
491 HE ARG 57 HE ARG 57 -15.624 0.328 0.933
492 1HH1 ARG 57 1HH1 ARG 57 -14.070 -2.367 0.092
493 2HH1 ARG 57 2HH1 ARG 57 -15.346 -3.111 -0.812
494 1HH2 ARG 57 1HH2 ARG 57 -17.284 -0.240 -0.946
495 2HH2 ARG 57 2HH2 ARG 57 -17.165 -1.908 -1.400
496 H VAL 58 H VAL 58 -13.092 5.299 -1.876
497 HA VAL 58 HA VAL 58 -15.546 6.785 -2.041
498 HB VAL 58 HB VAL 58 -12.655 7.699 -1.861
499 1HG1 VAL 58 1HG1 VAL 58 -13.387 9.803 -2.158
500 2HG1 VAL 58 2HG1 VAL 58 -14.512 9.603 -0.816
501 3HG1 VAL 58 3HG1 VAL 58 -15.015 9.196 -2.456
502 1HG2 VAL 58 1HG2 VAL 58 -13.125 7.972 0.501
503 2HG2 VAL 58 2HG2 VAL 58 -13.596 6.336 0.041
504 3HG2 VAL 58 3HG2 VAL 58 -14.827 7.582 0.254
505 H ALA 59 H ALA 59 -12.695 6.503 -4.128
506 HA ALA 59 HA ALA 59 -13.642 8.392 -6.107
507 1HB ALA 59 1HB ALA 59 -11.247 7.110 -5.625
508 2HB ALA 59 2HB ALA 59 -11.626 8.019 -7.089
509 3HB ALA 59 3HB ALA 59 -11.841 6.269 -7.057
510 H LEU 60 H LEU 60 -14.531 5.232 -5.258
511 HA LEU 60 HA LEU 60 -15.461 4.494 -7.962
512 1HB LEU 60 2HB LEU 60 -15.186 3.124 -5.322
513 2HB LEU 60 1HB LEU 60 -16.417 2.520 -6.426
514 HG LEU 60 HG LEU 60 -13.517 2.950 -7.191
515 1HD1 LEU 60 1HD1 LEU 60 -14.989 0.616 -6.031
516 2HD1 LEU 60 2HD1 LEU 60 -13.322 1.130 -5.771
517 3HD1 LEU 60 3HD1 LEU 60 -13.767 0.300 -7.262
518 1HD2 LEU 60 1HD2 LEU 60 -14.945 3.051 -9.122
519 2HD2 LEU 60 2HD2 LEU 60 -15.910 1.687 -8.557
520 3HD2 LEU 60 3HD2 LEU 60 -14.252 1.430 -9.102
521 H LYS 61 H LYS 61 -16.610 6.149 -5.210
522 HA LYS 61 HA LYS 61 -19.392 5.413 -5.342
523 1HB LYS 61 2HB LYS 61 -18.398 6.517 -3.366
524 2HB LYS 61 1HB LYS 61 -18.121 7.971 -4.324
525 1HG LYS 61 2HG LYS 61 -20.435 8.403 -4.554
526 2HG LYS 61 1HG LYS 61 -20.874 6.762 -4.076
527 1HD LYS 61 2HD LYS 61 -20.351 7.157 -1.804
528 2HD LYS 61 1HD LYS 61 -19.419 8.607 -2.183
529 1HE LYS 61 2HE LYS 61 -21.544 9.682 -2.989
530 2HE LYS 61 1HE LYS 61 -22.423 8.270 -2.401
531 1HZ LYS 61 1HZ LYS 61 -21.225 10.448 -0.925
532 2HZ LYS 61 2HZ LYS 61 -20.924 8.907 -0.275
533 3HZ LYS 61 3HZ LYS 61 -22.521 9.435 -0.508
534 H LYS 62 H LYS 62 -17.436 7.863 -6.966
535 HA LYS 62 HA LYS 62 -19.343 9.554 -8.056
536 1HB LYS 62 2HB LYS 62 -17.867 9.629 -10.115
537 2HB LYS 62 1HB LYS 62 -17.017 9.891 -8.591
538 1HG LYS 62 2HG LYS 62 -15.636 8.317 -9.615
539 2HG LYS 62 1HG LYS 62 -16.693 7.279 -8.657
540 1HD LYS 62 2HD LYS 62 -17.492 6.288 -10.512
541 2HD LYS 62 1HD LYS 62 -17.922 7.851 -11.209
542 1HE LYS 62 2HE LYS 62 -15.376 8.068 -11.712
543 2HE LYS 62 1HE LYS 62 -15.339 6.322 -11.465
544 1HZ LYS 62 1HZ LYS 62 -17.401 7.449 -13.218
545 2HZ LYS 62 2HZ LYS 62 -16.629 5.937 -13.287
546 3HZ LYS 62 3HZ LYS 62 -15.816 7.334 -13.810
547 H VAL 63 H VAL 63 -18.831 6.175 -8.778
548 HA VAL 63 HA VAL 63 -20.192 6.004 -11.269
549 HB VAL 63 HB VAL 63 -18.870 4.164 -10.143
550 1HG1 VAL 63 1HG1 VAL 63 -19.842 2.880 -8.403
551 2HG1 VAL 63 2HG1 VAL 63 -21.435 3.594 -8.654
552 3HG1 VAL 63 3HG1 VAL 63 -20.144 4.552 -7.931
553 1HG2 VAL 63 1HG2 VAL 63 -20.311 3.714 -12.092
554 2HG2 VAL 63 2HG2 VAL 63 -21.700 3.502 -11.025
555 3HG2 VAL 63 3HG2 VAL 63 -20.358 2.359 -10.963
556 H SER 64 H SER 64 -22.379 5.787 -11.778
557 HA SER 64 HA SER 64 -24.281 6.884 -9.886
558 1HB SER 64 2HB SER 64 -24.180 6.482 -12.670
559 2HB SER 64 1HB SER 64 -25.526 5.496 -12.106
560 HG SER 64 HG SER 64 -25.454 8.109 -12.445
Start of MODEL 8
1 1H THR 1 1HT THR 1 28.240 9.989 2.759
2 2H THR 1 2HT THR 1 27.034 10.161 1.574
3 3H THR 1 3HT THR 1 27.341 8.638 2.263
4 HA THR 1 HA THR 1 26.628 9.504 4.441
5 HB THR 1 HB THR 1 25.282 11.793 3.128
6 HG1 THR 1 1HG THR 1 27.347 12.980 3.582
7 1HG2 THR 1 1HG2 THR 1 26.767 11.356 5.732
8 2HG2 THR 1 2HG2 THR 1 25.018 11.380 5.506
9 3HG2 THR 1 3HG2 THR 1 25.956 12.859 5.292
10 H ALA 2 H ALA 2 25.583 8.958 1.265
11 HA ALA 2 HA ALA 2 23.617 8.016 0.398
12 1HB ALA 2 1HB ALA 2 22.182 6.970 2.446
13 2HB ALA 2 2HB ALA 2 23.758 7.115 3.222
14 3HB ALA 2 3HB ALA 2 23.586 6.166 1.746
15 H GLN 3 H GLN 3 21.040 7.999 1.031
16 HA GLN 3 HA GLN 3 20.432 10.867 1.584
17 1HB GLN 3 2HB GLN 3 19.683 9.314 -0.544
18 2HB GLN 3 1HB GLN 3 18.287 9.136 0.521
19 1HG GLN 3 2HG GLN 3 18.902 11.852 0.669
20 2HG GLN 3 1HG GLN 3 19.138 11.452 -1.033
21 1HE2 GLN 3 1HE2 GLN 3 16.809 12.674 0.876
22 2HE2 GLN 3 2HE2 GLN 3 15.424 11.998 0.164
23 H LYS 4 H LYS 4 19.180 11.396 3.338
24 HA LYS 4 HA LYS 4 18.784 9.629 5.488
25 1HB LYS 4 2HB LYS 4 17.388 12.186 4.693
26 2HB LYS 4 1HB LYS 4 16.943 11.315 6.161
27 1HG LYS 4 2HG LYS 4 19.784 12.148 5.523
28 2HG LYS 4 1HG LYS 4 18.683 13.126 6.494
29 1HD LYS 4 2HD LYS 4 19.216 11.901 8.302
30 2HD LYS 4 1HD LYS 4 18.559 10.471 7.505
31 1HE LYS 4 2HE LYS 4 20.625 9.729 6.822
32 2HE LYS 4 1HE LYS 4 21.271 11.362 6.655
33 1HZ LYS 4 1HZ LYS 4 21.429 9.594 8.867
34 2HZ LYS 4 2HZ LYS 4 20.695 11.054 9.329
35 3HZ LYS 4 3HZ LYS 4 22.235 11.064 8.612
36 H LYS 5 H LYS 5 16.327 9.322 6.350
37 HA LYS 5 HA LYS 5 14.926 7.864 4.148
38 1HB LYS 5 2HB LYS 5 15.569 6.326 5.865
39 2HB LYS 5 1HB LYS 5 15.017 7.413 7.139
40 1HG LYS 5 2HG LYS 5 12.745 7.019 6.665
41 2HG LYS 5 1HG LYS 5 13.096 6.394 5.053
42 1HD LYS 5 2HD LYS 5 13.909 5.031 7.636
43 2HD LYS 5 1HD LYS 5 12.497 4.592 6.676
44 1HE LYS 5 2HE LYS 5 14.511 4.629 4.788
45 2HE LYS 5 1HE LYS 5 15.332 3.986 6.211
46 1HZ LYS 5 1HZ LYS 5 14.217 2.086 6.059
47 2HZ LYS 5 2HZ LYS 5 13.729 2.584 4.510
48 3HZ LYS 5 3HZ LYS 5 12.726 2.867 5.852
49 HA PRO 6 HA PRO 6 12.021 11.231 5.008
50 1HB PRO 6 2HB PRO 6 10.906 11.162 2.495
51 2HB PRO 6 1HB PRO 6 12.382 12.060 2.888
52 1HG PRO 6 2HG PRO 6 12.088 9.491 1.401
53 2HG PRO 6 1HG PRO 6 13.363 10.716 1.284
54 1HD PRO 6 2HD PRO 6 13.556 8.257 2.668
55 2HD PRO 6 1HD PRO 6 14.672 9.630 2.822
56 H ARG 7 H ARG 7 9.713 11.162 5.311
57 HA ARG 7 HA ARG 7 8.524 8.832 6.185
58 1HB ARG 7 2HB ARG 7 7.462 11.382 5.074
59 2HB ARG 7 1HB ARG 7 6.327 10.037 5.201
60 1HG ARG 7 2HG ARG 7 8.090 10.941 7.491
61 2HG ARG 7 1HG ARG 7 6.440 11.517 7.253
62 1HD ARG 7 2HD ARG 7 7.395 8.759 7.962
63 2HD ARG 7 1HD ARG 7 6.103 9.710 8.693
64 HE ARG 7 HE ARG 7 5.888 8.323 6.055
65 1HH1 ARG 7 1HH2 ARG 7 4.310 10.750 7.635
66 2HH1 ARG 7 2HH2 ARG 7 2.790 9.934 7.799
67 1HH2 ARG 7 1HH1 ARG 7 4.030 6.861 6.780
68 2HH2 ARG 7 2HH1 ARG 7 2.632 7.732 7.314
69 H VAL 8 H VAL 8 8.761 6.953 4.967
70 HA VAL 8 HA VAL 8 8.090 6.995 2.097
71 HB VAL 8 HB VAL 8 9.343 5.031 3.977
72 1HG1 VAL 8 1HG1 VAL 8 7.753 3.504 3.148
73 2HG1 VAL 8 2HG1 VAL 8 9.084 3.335 2.006
74 3HG1 VAL 8 3HG1 VAL 8 7.676 4.304 1.577
75 1HG2 VAL 8 1HG2 VAL 8 10.913 6.168 2.671
76 2HG2 VAL 8 2HG2 VAL 8 9.853 6.212 1.260
77 3HG2 VAL 8 3HG2 VAL 8 10.649 4.706 1.719
78 H LEU 9 H LEU 9 5.838 7.464 2.158
79 HA LEU 9 HA LEU 9 4.106 5.481 3.551
80 1HB LEU 9 2HB LEU 9 3.730 8.009 3.766
81 2HB LEU 9 1HB LEU 9 3.210 7.970 2.080
82 HG LEU 9 HG LEU 9 1.707 5.956 2.969
83 1HD1 LEU 9 1HD1 LEU 9 1.556 7.709 5.386
84 2HD1 LEU 9 2HD1 LEU 9 2.860 6.524 5.311
85 3HD1 LEU 9 3HD1 LEU 9 1.181 5.994 5.219
86 1HD2 LEU 9 1HD2 LEU 9 0.495 7.666 1.998
87 2HD2 LEU 9 2HD2 LEU 9 1.305 8.915 2.943
88 3HD2 LEU 9 3HD2 LEU 9 0.041 7.932 3.682
89 H TRP 10 H TRP 10 4.753 6.909 0.379
90 HA TRP 10 HA TRP 10 4.129 4.451 -1.009
91 1HB TRP 10 2HB TRP 10 2.123 6.712 -1.033
92 2HB TRP 10 1HB TRP 10 2.258 5.597 -2.391
93 HD1 TRP 10 HD TRP 10 0.037 5.978 0.230
94 HE1 TRP 10 1HE TRP 10 -0.820 3.762 1.227
95 HE3 TRP 10 3HE TRP 10 3.580 2.768 -1.572
96 HZ2 TRP 10 2HZ TRP 10 -0.098 0.995 1.261
97 HZ3 TRP 10 3HZ TRP 10 3.470 0.351 -1.041
98 HH2 TRP 10 HH TRP 10 1.637 -0.539 0.371
99 H THR 11 H THR 11 6.416 5.361 -1.400
100 HA THR 11 HA THR 11 6.398 7.490 -3.490
101 HB THR 11 HB THR 11 8.916 7.443 -3.085
102 HG1 THR 11 1HG THR 11 9.092 5.448 -2.115
103 1HG2 THR 11 1HG2 THR 11 8.440 8.344 -0.582
104 2HG2 THR 11 2HG2 THR 11 6.792 8.322 -1.209
105 3HG2 THR 11 3HG2 THR 11 8.035 9.268 -2.027
106 H HIS 12 H HIS 12 8.280 7.070 -5.169
107 HA HIS 12 HA HIS 12 7.564 4.945 -6.841
108 1HB HIS 12 2HB HIS 12 9.683 6.895 -6.727
109 2HB HIS 12 1HB HIS 12 10.346 5.337 -7.218
110 HD1 HIS 12 1HD HIS 12 10.364 5.191 -9.699
111 HD2 HIS 12 2HD HIS 12 6.961 7.164 -8.317
112 HE1 HIS 12 1HE HIS 12 8.976 5.744 -11.744
113 H GLU 13 H GLU 13 9.672 4.915 -4.045
114 HA GLU 13 HA GLU 13 10.889 2.344 -4.626
115 1HB GLU 13 2HB GLU 13 11.743 4.173 -3.019
116 2HB GLU 13 1HB GLU 13 10.555 3.548 -1.876
117 1HG GLU 13 2HG GLU 13 11.605 1.227 -2.385
118 2HG GLU 13 1HG GLU 13 12.959 2.151 -3.038
119 H LEU 14 H LEU 14 8.415 3.342 -2.235
120 HA LEU 14 HA LEU 14 7.708 0.700 -1.465
121 1HB LEU 14 2HB LEU 14 6.438 3.385 -1.242
122 2HB LEU 14 1HB LEU 14 5.390 1.989 -1.014
123 HG LEU 14 HG LEU 14 7.902 2.667 0.532
124 1HD1 LEU 14 1HD1 LEU 14 6.294 2.555 2.450
125 2HD1 LEU 14 2HD1 LEU 14 4.987 2.310 1.293
126 3HD1 LEU 14 3HD1 LEU 14 5.891 3.824 1.293
127 1HD2 LEU 14 1HD2 LEU 14 6.659 0.087 -0.024
128 2HD2 LEU 14 2HD2 LEU 14 6.677 0.443 1.702
129 3HD2 LEU 14 3HD2 LEU 14 8.185 0.436 0.787
130 H HIS 15 H HIS 15 6.982 2.460 -4.338
131 HA HIS 15 HA HIS 15 4.550 1.002 -4.994
132 1HB HIS 15 2HB HIS 15 5.248 3.313 -5.872
133 2HB HIS 15 1HB HIS 15 6.339 2.447 -6.954
134 HD1 HIS 15 1HD HIS 15 3.003 0.993 -6.044
135 HD2 HIS 15 2HD HIS 15 4.743 3.010 -9.251
136 HE1 HIS 15 1HE HIS 15 1.376 0.805 -7.976
137 H ASN 16 H ASN 16 7.977 0.496 -5.463
138 HA ASN 16 HA ASN 16 7.673 -1.456 -7.591
139 1HB ASN 16 2HB ASN 16 9.937 -0.703 -5.740
140 2HB ASN 16 1HB ASN 16 10.075 -2.060 -6.858
141 1HD2 ASN 16 1HD2 ASN 16 11.117 -1.414 -8.742
142 2HD2 ASN 16 2HD2 ASN 16 10.922 0.093 -9.500
143 H LYS 17 H LYS 17 8.137 -1.671 -4.059
144 HA LYS 17 HA LYS 17 8.019 -4.591 -4.112
145 1HB LYS 17 2HB LYS 17 7.623 -2.789 -1.712
146 2HB LYS 17 1HB LYS 17 8.186 -4.461 -1.723
147 1HG LYS 17 2HG LYS 17 10.230 -3.784 -2.907
148 2HG LYS 17 1HG LYS 17 9.665 -2.114 -2.949
149 1HD LYS 17 2HD LYS 17 9.807 -1.904 -0.574
150 2HD LYS 17 1HD LYS 17 10.010 -3.644 -0.364
151 1HE LYS 17 2HE LYS 17 12.039 -2.635 -2.149
152 2HE LYS 17 1HE LYS 17 12.049 -1.708 -0.649
153 1HZ LYS 17 1HZ LYS 17 12.067 -3.843 0.561
154 2HZ LYS 17 2HZ LYS 17 13.452 -3.607 -0.395
155 3HZ LYS 17 3HZ LYS 17 12.224 -4.658 -0.919
156 H PHE 18 H PHE 18 5.808 -1.920 -3.545
157 HA PHE 18 HA PHE 18 3.624 -3.617 -2.639
158 1HB PHE 18 2HB PHE 18 3.874 -1.159 -2.086
159 2HB PHE 18 1HB PHE 18 3.452 -0.808 -3.762
160 HD1 PHE 18 1HD PHE 18 1.199 -0.672 -4.413
161 HD2 PHE 18 2HD PHE 18 2.229 -2.648 -0.742
162 HE1 PHE 18 1HE PHE 18 -1.207 -0.887 -3.854
163 HE2 PHE 18 2HE PHE 18 -0.177 -2.863 -0.182
164 HZ PHE 18 HZ PHE 18 -1.896 -1.984 -1.739
165 H LEU 19 H LEU 19 4.886 -2.592 -5.722
166 HA LEU 19 HA LEU 19 2.414 -3.146 -7.178
167 1HB LEU 19 2HB LEU 19 5.223 -2.418 -7.914
168 2HB LEU 19 1HB LEU 19 4.204 -3.164 -9.145
169 HG LEU 19 HG LEU 19 3.375 -0.748 -7.515
170 1HD1 LEU 19 1HD1 LEU 19 3.686 0.181 -10.040
171 2HD1 LEU 19 2HD1 LEU 19 4.968 -1.029 -10.008
172 3HD1 LEU 19 3HD1 LEU 19 4.956 0.276 -8.821
173 1HD2 LEU 19 1HD2 LEU 19 1.914 -2.571 -9.074
174 2HD2 LEU 19 2HD2 LEU 19 2.129 -1.161 -10.111
175 3HD2 LEU 19 3HD2 LEU 19 1.370 -0.985 -8.529
176 H ALA 20 H ALA 20 5.426 -4.892 -6.476
177 HA ALA 20 HA ALA 20 4.655 -7.161 -8.145
178 1HB ALA 20 1HB ALA 20 6.554 -8.067 -6.303
179 2HB ALA 20 2HB ALA 20 6.965 -6.368 -6.546
180 3HB ALA 20 3HB ALA 20 6.888 -7.463 -7.927
181 H ALA 21 H ALA 21 4.156 -6.139 -4.854
182 HA ALA 21 HA ALA 21 3.374 -8.777 -3.886
183 1HB ALA 21 1HB ALA 21 2.467 -6.208 -2.613
184 2HB ALA 21 2HB ALA 21 4.170 -6.662 -2.533
185 3HB ALA 21 3HB ALA 21 2.941 -7.722 -1.842
186 H VAL 22 H VAL 22 1.668 -5.854 -5.002
187 HA VAL 22 HA VAL 22 -0.983 -6.926 -4.611
188 HB VAL 22 HB VAL 22 -0.086 -4.873 -6.657
189 1HG1 VAL 22 1HG1 VAL 22 -2.503 -4.059 -5.838
190 2HG1 VAL 22 2HG1 VAL 22 -2.691 -5.787 -5.539
191 3HG1 VAL 22 3HG1 VAL 22 -2.303 -5.211 -7.159
192 1HG2 VAL 22 1HG2 VAL 22 0.441 -4.684 -4.009
193 2HG2 VAL 22 2HG2 VAL 22 -1.198 -4.031 -4.042
194 3HG2 VAL 22 3HG2 VAL 22 0.068 -3.289 -5.022
195 H ASP 23 H ASP 23 1.189 -6.732 -7.400
196 HA ASP 23 HA ASP 23 -0.510 -7.981 -9.308
197 1HB ASP 23 2HB ASP 23 1.792 -6.803 -9.590
198 2HB ASP 23 1HB ASP 23 2.469 -8.388 -9.246
199 H HIS 24 H HIS 24 1.862 -9.334 -7.043
200 HA HIS 24 HA HIS 24 1.701 -12.044 -7.873
201 1HB HIS 24 2HB HIS 24 3.352 -11.093 -6.223
202 2HB HIS 24 1HB HIS 24 2.058 -11.073 -5.024
203 HD1 HIS 24 1HD HIS 24 3.357 -12.885 -3.615
204 HD2 HIS 24 2HD HIS 24 2.180 -14.164 -7.404
205 HE1 HIS 24 1HE HIS 24 3.613 -15.404 -3.632
206 H LEU 25 H LEU 25 -0.570 -10.083 -6.106
207 HA LEU 25 HA LEU 25 -2.168 -12.533 -5.481
208 1HB LEU 25 2HB LEU 25 -2.618 -9.774 -4.341
209 2HB LEU 25 1HB LEU 25 -3.201 -11.316 -3.716
210 HG LEU 25 HG LEU 25 -0.248 -10.955 -3.990
211 1HD1 LEU 25 1HD1 LEU 25 -1.878 -9.103 -2.566
212 2HD1 LEU 25 2HD1 LEU 25 -0.119 -9.225 -2.562
213 3HD1 LEU 25 3HD1 LEU 25 -1.068 -10.119 -1.375
214 1HD2 LEU 25 1HD2 LEU 25 -0.178 -12.594 -2.345
215 2HD2 LEU 25 2HD2 LEU 25 -1.707 -13.001 -3.123
216 3HD2 LEU 25 3HD2 LEU 25 -1.700 -12.078 -1.621
217 H GLY 26 H GLY 26 -1.969 -10.027 -7.695
218 1HA GLY 26 2HA GLY 26 -3.515 -9.662 -9.484
219 2HA GLY 26 1HA GLY 26 -4.752 -10.515 -8.555
220 H VAL 27 H VAL 27 -3.646 -7.466 -9.478
221 HA VAL 27 HA VAL 27 -4.227 -5.802 -7.287
222 HB VAL 27 HB VAL 27 -3.256 -5.038 -9.458
223 1HG1 VAL 27 1HG1 VAL 27 -5.808 -6.065 -10.405
224 2HG1 VAL 27 2HG1 VAL 27 -4.366 -5.641 -11.327
225 3HG1 VAL 27 3HG1 VAL 27 -5.554 -4.400 -10.927
226 1HG2 VAL 27 1HG2 VAL 27 -4.804 -2.940 -9.603
227 2HG2 VAL 27 2HG2 VAL 27 -3.952 -3.254 -8.091
228 3HG2 VAL 27 3HG2 VAL 27 -5.658 -3.678 -8.248
229 H GLU 28 H GLU 28 -6.376 -7.723 -9.173
230 HA GLU 28 HA GLU 28 -8.762 -6.135 -8.584
231 1HB GLU 28 2HB GLU 28 -9.977 -8.085 -9.542
232 2HB GLU 28 1HB GLU 28 -8.693 -7.506 -10.606
233 1HG GLU 28 2HG GLU 28 -7.216 -9.281 -9.914
234 2HG GLU 28 1HG GLU 28 -8.325 -9.778 -8.636
235 H ARG 29 H ARG 29 -7.229 -9.041 -7.227
236 HA ARG 29 HA ARG 29 -9.277 -8.963 -5.045
237 1HB ARG 29 2HB ARG 29 -7.851 -11.227 -6.401
238 2HB ARG 29 1HB ARG 29 -8.359 -11.415 -4.721
239 1HG ARG 29 2HG ARG 29 -10.554 -10.249 -6.046
240 2HG ARG 29 1HG ARG 29 -9.966 -11.513 -7.127
241 1HD ARG 29 2HD ARG 29 -10.747 -13.137 -5.774
242 2HD ARG 29 1HD ARG 29 -9.957 -12.420 -4.370
243 HE ARG 29 HE ARG 29 -12.163 -11.844 -3.769
244 1HH1 ARG 29 1HH2 ARG 29 -13.342 -12.912 -6.371
245 2HH1 ARG 29 2HH2 ARG 29 -14.101 -11.490 -7.002
246 1HH2 ARG 29 1HH1 ARG 29 -12.389 -9.323 -4.905
247 2HH2 ARG 29 2HH1 ARG 29 -13.562 -9.457 -6.173
248 H ALA 30 H ALA 30 -6.411 -7.732 -5.493
249 HA ALA 30 HA ALA 30 -4.869 -8.945 -3.331
250 1HB ALA 30 1HB ALA 30 -3.217 -7.276 -3.814
251 2HB ALA 30 2HB ALA 30 -4.396 -6.259 -4.640
252 3HB ALA 30 3HB ALA 30 -3.885 -7.784 -5.364
253 H VAL 31 H VAL 31 -4.800 -8.299 -1.217
254 HA VAL 31 HA VAL 31 -6.390 -5.872 -0.482
255 HB VAL 31 HB VAL 31 -6.586 -7.169 1.781
256 1HG1 VAL 31 1HG1 VAL 31 -8.221 -8.648 -0.148
257 2HG1 VAL 31 2HG1 VAL 31 -8.218 -6.910 -0.449
258 3HG1 VAL 31 3HG1 VAL 31 -8.721 -7.532 1.123
259 1HG2 VAL 31 1HG2 VAL 31 -6.105 -9.415 1.810
260 2HG2 VAL 31 2HG2 VAL 31 -4.945 -8.941 0.569
261 3HG2 VAL 31 3HG2 VAL 31 -6.502 -9.627 0.106
262 HA PRO 32 HA PRO 32 -2.778 -4.395 1.518
263 1HB PRO 32 2HB PRO 32 -3.899 -3.023 3.625
264 2HB PRO 32 1HB PRO 32 -3.923 -2.440 1.951
265 1HG PRO 32 2HG PRO 32 -6.138 -3.640 3.554
266 2HG PRO 32 1HG PRO 32 -6.222 -2.491 2.210
267 1HD PRO 32 2HD PRO 32 -6.743 -5.257 2.032
268 2HD PRO 32 1HD PRO 32 -6.441 -4.169 0.659
269 H LYS 33 H LYS 33 -5.076 -6.292 3.343
270 HA LYS 33 HA LYS 33 -3.498 -6.615 5.730
271 1HB LYS 33 2HB LYS 33 -5.826 -7.124 5.873
272 2HB LYS 33 1HB LYS 33 -5.751 -8.196 4.477
273 1HG LYS 33 2HG LYS 33 -3.973 -8.863 6.771
274 2HG LYS 33 1HG LYS 33 -5.703 -9.131 6.997
275 1HD LYS 33 2HD LYS 33 -5.015 -10.069 4.391
276 2HD LYS 33 1HD LYS 33 -3.847 -10.740 5.530
277 1HE LYS 33 2HE LYS 33 -5.860 -12.185 5.290
278 2HE LYS 33 1HE LYS 33 -5.659 -11.590 6.938
279 1HZ LYS 33 1HZ LYS 33 -7.886 -11.319 5.365
280 2HZ LYS 33 2HZ LYS 33 -7.169 -9.779 5.340
281 3HZ LYS 33 3HZ LYS 33 -7.576 -10.506 6.821
282 H LYS 34 H LYS 34 -4.015 -8.746 2.896
283 HA LYS 34 HA LYS 34 -1.997 -10.637 3.733
284 1HB LYS 34 2HB LYS 34 -3.543 -10.133 1.209
285 2HB LYS 34 1HB LYS 34 -2.133 -11.190 1.145
286 1HG LYS 34 2HG LYS 34 -3.190 -12.368 3.204
287 2HG LYS 34 1HG LYS 34 -4.674 -11.542 2.728
288 1HD LYS 34 2HD LYS 34 -4.416 -12.516 0.432
289 2HD LYS 34 1HD LYS 34 -3.039 -13.445 1.026
290 1HE LYS 34 2HE LYS 34 -4.419 -15.005 1.872
291 2HE LYS 34 1HE LYS 34 -5.241 -13.782 2.841
292 1HZ LYS 34 1HZ LYS 34 -6.062 -15.025 0.394
293 2HZ LYS 34 2HZ LYS 34 -6.149 -13.329 0.320
294 3HZ LYS 34 3HZ LYS 34 -6.983 -14.174 1.535
295 H ILE 35 H ILE 35 -1.984 -7.810 1.576
296 HA ILE 35 HA ILE 35 0.724 -8.227 0.687
297 HB ILE 35 HB ILE 35 -1.030 -5.767 0.777
298 1HG1 ILE 35 2HG1 ILE 35 -0.325 -7.906 -1.189
299 2HG1 ILE 35 1HG1 ILE 35 -1.863 -7.089 -0.933
300 1HG2 ILE 35 1HG2 ILE 35 1.730 -6.084 -0.454
301 2HG2 ILE 35 2HG2 ILE 35 1.368 -5.136 0.987
302 3HG2 ILE 35 3HG2 ILE 35 0.704 -4.656 -0.575
303 1HD1 ILE 35 1HD1 ILE 35 -1.298 -6.068 -2.906
304 2HD1 ILE 35 2HD1 ILE 35 0.430 -6.321 -2.662
305 3HD1 ILE 35 3HD1 ILE 35 -0.394 -5.004 -1.828
306 H LEU 36 H LEU 36 -0.708 -6.915 3.568
307 HA LEU 36 HA LEU 36 1.396 -5.294 4.529
308 1HB LEU 36 2HB LEU 36 -0.658 -5.434 5.796
309 2HB LEU 36 1HB LEU 36 -0.475 -7.177 6.000
310 HG LEU 36 HG LEU 36 1.720 -6.661 7.209
311 1HD1 LEU 36 1HD1 LEU 36 1.092 -4.131 8.221
312 2HD1 LEU 36 2HD1 LEU 36 0.828 -3.983 6.483
313 3HD1 LEU 36 3HD1 LEU 36 2.396 -4.510 7.095
314 1HD2 LEU 36 1HD2 LEU 36 -1.019 -6.545 8.089
315 2HD2 LEU 36 2HD2 LEU 36 -0.054 -5.433 9.057
316 3HD2 LEU 36 3HD2 LEU 36 0.392 -7.137 8.966
317 H ASP 37 H ASP 37 1.016 -8.816 4.474
318 HA ASP 37 HA ASP 37 3.493 -9.311 5.932
319 1HB ASP 37 2HB ASP 37 2.231 -11.274 4.023
320 2HB ASP 37 1HB ASP 37 3.076 -11.594 5.539
321 H LEU 38 H LEU 38 2.516 -8.975 2.568
322 HA LEU 38 HA LEU 38 4.878 -9.904 1.296
323 1HB LEU 38 2HB LEU 38 2.715 -7.945 0.578
324 2HB LEU 38 1HB LEU 38 4.139 -8.078 -0.454
325 HG LEU 38 HG LEU 38 2.823 -10.616 0.390
326 1HD1 LEU 38 1HD1 LEU 38 1.579 -9.918 -2.021
327 2HD1 LEU 38 2HD1 LEU 38 1.442 -8.474 -1.019
328 3HD1 LEU 38 3HD1 LEU 38 0.809 -10.013 -0.437
329 1HD2 LEU 38 1HD2 LEU 38 3.343 -10.605 -2.339
330 2HD2 LEU 38 2HD2 LEU 38 4.422 -11.236 -1.094
331 3HD2 LEU 38 3HD2 LEU 38 4.622 -9.585 -1.681
332 H MET 39 H MET 39 4.133 -6.843 2.882
333 HA MET 39 HA MET 39 6.611 -5.591 1.914
334 1HB MET 39 2HB MET 39 4.718 -4.612 4.069
335 2HB MET 39 1HB MET 39 5.903 -3.656 3.177
336 1HG MET 39 2HG MET 39 3.566 -5.097 1.890
337 2HG MET 39 1HG MET 39 3.561 -3.387 2.318
338 1HE MET 39 1HE MET 39 6.557 -2.226 1.383
339 2HE MET 39 2HE MET 39 4.883 -1.734 1.628
340 3HE MET 39 3HE MET 39 5.625 -1.550 0.040
341 H ASN 40 H ASN 40 5.317 -6.645 5.081
342 HA ASN 40 HA ASN 40 6.454 -7.192 7.062
343 1HB ASN 40 2HB ASN 40 7.327 -8.987 5.575
344 2HB ASN 40 1HB ASN 40 8.655 -7.924 5.105
345 1HD2 ASN 40 1HD2 ASN 40 10.146 -9.562 6.089
346 2HD2 ASN 40 2HD2 ASN 40 10.353 -9.597 7.773
347 H VAL 41 H VAL 41 6.773 -4.475 5.795
348 HA VAL 41 HA VAL 41 9.493 -3.630 6.445
349 HB VAL 41 HB VAL 41 7.080 -1.846 6.059
350 1HG1 VAL 41 1HG1 VAL 41 9.077 -0.702 6.830
351 2HG1 VAL 41 2HG1 VAL 41 8.856 -0.337 5.118
352 3HG1 VAL 41 3HG1 VAL 41 10.062 -1.522 5.619
353 1HG2 VAL 41 1HG2 VAL 41 8.906 -2.651 3.814
354 2HG2 VAL 41 2HG2 VAL 41 7.250 -2.047 3.740
355 3HG2 VAL 41 3HG2 VAL 41 7.563 -3.706 4.251
356 H ASP 42 H ASP 42 9.957 -2.032 8.156
357 HA ASP 42 HA ASP 42 8.463 -2.680 10.619
358 1HB ASP 42 2HB ASP 42 10.310 -1.343 11.712
359 2HB ASP 42 1HB ASP 42 10.871 -2.749 10.805
360 H LYS 43 H LYS 43 7.353 -1.125 11.852
361 HA LYS 43 HA LYS 43 6.331 0.947 12.334
362 1HB LYS 43 2HB LYS 43 8.678 1.711 11.115
363 2HB LYS 43 1HB LYS 43 7.463 2.423 10.052
364 1HG LYS 43 2HG LYS 43 7.083 4.049 11.558
365 2HG LYS 43 1HG LYS 43 6.636 2.838 12.760
366 1HD LYS 43 2HD LYS 43 9.543 3.140 12.241
367 2HD LYS 43 1HD LYS 43 8.757 4.491 13.061
368 1HE LYS 43 2HE LYS 43 9.039 3.274 14.953
369 2HE LYS 43 1HE LYS 43 7.686 2.307 14.363
370 1HZ LYS 43 1HZ LYS 43 9.075 0.683 13.560
371 2HZ LYS 43 2HZ LYS 43 9.909 1.163 14.960
372 3HZ LYS 43 3HZ LYS 43 10.414 1.718 13.436
373 H LEU 44 H LEU 44 6.023 -0.901 9.613
374 HA LEU 44 HA LEU 44 3.914 0.824 8.409
375 1HB LEU 44 2HB LEU 44 5.584 -1.459 7.434
376 2HB LEU 44 1HB LEU 44 3.984 -1.239 6.723
377 HG LEU 44 HG LEU 44 6.196 0.832 6.849
378 1HD1 LEU 44 1HD1 LEU 44 6.824 -0.177 4.927
379 2HD1 LEU 44 2HD1 LEU 44 5.338 0.460 4.222
380 3HD1 LEU 44 3HD1 LEU 44 5.367 -1.171 4.893
381 1HD2 LEU 44 1HD2 LEU 44 4.433 1.995 5.266
382 2HD2 LEU 44 2HD2 LEU 44 4.264 2.132 7.017
383 3HD2 LEU 44 3HD2 LEU 44 3.283 0.970 6.124
384 H THR 45 H THR 45 1.902 0.474 9.210
385 HA THR 45 HA THR 45 1.251 -2.213 10.311
386 HB THR 45 HB THR 45 -0.849 -0.947 11.106
387 HG1 THR 45 1HG THR 45 0.810 1.269 10.522
388 1HG2 THR 45 1HG2 THR 45 0.291 -0.911 13.040
389 2HG2 THR 45 2HG2 THR 45 1.211 0.494 12.498
390 3HG2 THR 45 3HG2 THR 45 1.788 -1.133 12.132
391 H ARG 46 H ARG 46 -1.062 -2.960 9.825
392 HA ARG 46 HA ARG 46 -1.412 -3.044 6.940
393 1HB ARG 46 2HB ARG 46 -3.195 -4.584 7.378
394 2HB ARG 46 1HB ARG 46 -1.947 -4.928 8.577
395 1HG ARG 46 2HG ARG 46 -3.769 -4.804 9.984
396 2HG ARG 46 1HG ARG 46 -3.317 -3.099 9.968
397 1HD ARG 46 2HD ARG 46 -5.339 -2.595 9.122
398 2HD ARG 46 1HD ARG 46 -4.954 -3.547 7.688
399 HE ARG 46 HE ARG 46 -6.312 -4.657 10.111
400 1HH1 ARG 46 1HH2 ARG 46 -6.551 -4.015 6.823
401 2HH1 ARG 46 2HH2 ARG 46 -7.170 -5.572 6.384
402 1HH2 ARG 46 1HH1 ARG 46 -6.675 -6.949 9.527
403 2HH2 ARG 46 2HH1 ARG 46 -7.240 -7.233 7.914
404 H GLU 47 H GLU 47 -2.561 -1.014 9.470
405 HA GLU 47 HA GLU 47 -5.026 -0.194 8.163
406 1HB GLU 47 2HB GLU 47 -3.644 0.358 10.644
407 2HB GLU 47 1HB GLU 47 -4.167 1.865 9.891
408 1HG GLU 47 2HG GLU 47 -6.304 0.037 9.573
409 2HG GLU 47 1HG GLU 47 -5.763 -0.118 11.245
410 H ASN 48 H ASN 48 -1.672 0.910 8.155
411 HA ASN 48 HA ASN 48 -2.131 3.437 6.878
412 1HB ASN 48 2HB ASN 48 0.215 1.612 7.224
413 2HB ASN 48 1HB ASN 48 0.329 2.887 6.011
414 1HD2 ASN 48 1HD2 ASN 48 -1.670 3.388 8.866
415 2HD2 ASN 48 2HD2 ASN 48 -0.642 4.511 9.616
416 H VAL 49 H VAL 49 -1.528 0.178 5.585
417 HA VAL 49 HA VAL 49 -1.675 1.143 2.817
418 HB VAL 49 HB VAL 49 -1.791 -1.736 3.734
419 1HG1 VAL 49 1HG1 VAL 49 -1.767 -2.086 1.510
420 2HG1 VAL 49 2HG1 VAL 49 -0.177 -1.327 1.446
421 3HG1 VAL 49 3HG1 VAL 49 -1.628 -0.353 1.208
422 1HG2 VAL 49 1HG2 VAL 49 0.611 0.091 3.434
423 2HG2 VAL 49 2HG2 VAL 49 0.725 -1.668 3.493
424 3HG2 VAL 49 3HG2 VAL 49 0.108 -0.777 4.884
425 H ALA 50 H ALA 50 -3.809 -0.174 5.231
426 HA ALA 50 HA ALA 50 -5.894 -0.946 3.348
427 1HB ALA 50 1HB ALA 50 -6.253 -0.371 6.295
428 2HB ALA 50 2HB ALA 50 -5.560 -1.884 5.708
429 3HB ALA 50 3HB ALA 50 -7.213 -1.443 5.275
430 H SER 51 H SER 51 -4.880 1.979 4.884
431 HA SER 51 HA SER 51 -7.446 3.343 4.683
432 1HB SER 51 2HB SER 51 -4.613 4.308 5.137
433 2HB SER 51 1HB SER 51 -5.990 5.404 5.052
434 HG SER 51 HG SER 51 -6.692 4.680 6.926
435 H HIS 52 H HIS 52 -4.439 3.293 2.767
436 HA HIS 52 HA HIS 52 -5.347 5.190 0.804
437 1HB HIS 52 2HB HIS 52 -2.968 4.640 1.058
438 2HB HIS 52 1HB HIS 52 -3.287 2.972 0.585
439 HD1 HIS 52 1HD HIS 52 -2.179 6.064 -0.819
440 HD2 HIS 52 2HD HIS 52 -4.633 2.980 -2.179
441 HE1 HIS 52 1HE HIS 52 -2.275 6.284 -3.340
442 H LEU 53 H LEU 53 -5.752 1.723 1.202
443 HA LEU 53 HA LEU 53 -6.770 1.271 -1.485
444 1HB LEU 53 2HB LEU 53 -5.780 -0.563 -0.173
445 2HB LEU 53 1HB LEU 53 -7.046 -0.387 1.042
446 HG LEU 53 HG LEU 53 -8.618 -0.665 -1.099
447 1HD1 LEU 53 1HD1 LEU 53 -7.021 -2.741 -2.144
448 2HD1 LEU 53 2HD1 LEU 53 -5.965 -1.332 -2.046
449 3HD1 LEU 53 3HD1 LEU 53 -7.476 -1.242 -2.954
450 1HD2 LEU 53 1HD2 LEU 53 -9.174 -2.465 0.137
451 2HD2 LEU 53 2HD2 LEU 53 -7.638 -2.348 0.994
452 3HD2 LEU 53 3HD2 LEU 53 -7.758 -3.323 -0.471
453 H GLN 54 H GLN 54 -8.229 1.795 1.720
454 HA GLN 54 HA GLN 54 -10.948 1.464 0.832
455 1HB GLN 54 2HB GLN 54 -9.627 2.691 3.235
456 2HB GLN 54 1HB GLN 54 -11.347 2.966 2.959
457 1HG GLN 54 2HG GLN 54 -11.084 0.251 2.503
458 2HG GLN 54 1HG GLN 54 -9.971 0.533 3.843
459 1HE2 GLN 54 1HE2 GLN 54 -11.571 2.852 4.874
460 2HE2 GLN 54 2HE2 GLN 54 -12.946 2.169 5.599
461 H LYS 55 H LYS 55 -8.707 4.175 0.855
462 HA LYS 55 HA LYS 55 -10.663 6.228 0.369
463 1HB LYS 55 2HB LYS 55 -7.691 5.999 0.058
464 2HB LYS 55 1HB LYS 55 -8.525 7.364 -0.687
465 1HG LYS 55 2HG LYS 55 -8.610 6.581 2.240
466 2HG LYS 55 1HG LYS 55 -7.822 7.999 1.554
467 1HD LYS 55 2HD LYS 55 -9.749 9.127 1.828
468 2HD LYS 55 1HD LYS 55 -10.471 8.081 0.603
469 1HE LYS 55 2HE LYS 55 -11.038 6.432 2.369
470 2HE LYS 55 1HE LYS 55 -10.365 7.519 3.582
471 1HZ LYS 55 1HZ LYS 55 -12.866 7.600 3.147
472 2HZ LYS 55 2HZ LYS 55 -12.466 8.433 1.722
473 3HZ LYS 55 3HZ LYS 55 -12.030 9.073 3.233
474 H PHE 56 H PHE 56 -9.048 3.898 -1.684
475 HA PHE 56 HA PHE 56 -9.657 5.248 -4.181
476 1HB PHE 56 2HB PHE 56 -7.882 3.440 -3.834
477 2HB PHE 56 1HB PHE 56 -9.206 2.274 -3.810
478 HD1 PHE 56 1HD PHE 56 -9.129 1.105 -5.848
479 HD2 PHE 56 2HD PHE 56 -8.714 5.381 -5.840
480 HE1 PHE 56 1HE PHE 56 -9.179 1.115 -8.328
481 HE2 PHE 56 2HE PHE 56 -8.765 5.391 -8.319
482 HZ PHE 56 HZ PHE 56 -8.997 3.259 -9.563
483 H ARG 57 H ARG 57 -11.272 2.788 -2.194
484 HA ARG 57 HA ARG 57 -13.369 2.195 -4.070
485 1HB ARG 57 2HB ARG 57 -13.588 2.171 -1.043
486 2HB ARG 57 1HB ARG 57 -14.539 1.226 -2.190
487 1HG ARG 57 2HG ARG 57 -11.885 0.625 -2.831
488 2HG ARG 57 1HG ARG 57 -11.914 0.654 -1.067
489 1HD ARG 57 2HD ARG 57 -12.467 -1.595 -1.909
490 2HD ARG 57 1HD ARG 57 -13.847 -0.883 -1.073
491 HE ARG 57 HE ARG 57 -13.738 -0.553 -4.014
492 1HH1 ARG 57 1HH2 ARG 57 -16.205 -0.149 -2.321
493 2HH1 ARG 57 2HH2 ARG 57 -17.083 -1.611 -2.628
494 1HH2 ARG 57 1HH1 ARG 57 -14.350 -3.290 -3.942
495 2HH2 ARG 57 2HH1 ARG 57 -16.032 -3.389 -3.547
496 H VAL 58 H VAL 58 -13.060 4.581 -1.444
497 HA VAL 58 HA VAL 58 -15.674 5.728 -1.774
498 HB VAL 58 HB VAL 58 -13.072 6.837 -0.683
499 1HG1 VAL 58 1HG1 VAL 58 -14.455 8.677 -1.587
500 2HG1 VAL 58 2HG1 VAL 58 -14.402 8.725 0.176
501 3HG1 VAL 58 3HG1 VAL 58 -15.831 8.099 -0.648
502 1HG2 VAL 58 1HG2 VAL 58 -13.816 6.126 1.360
503 2HG2 VAL 58 2HG2 VAL 58 -14.758 4.995 0.390
504 3HG2 VAL 58 3HG2 VAL 58 -15.502 6.482 0.982
505 H ALA 59 H ALA 59 -12.557 6.222 -3.318
506 HA ALA 59 HA ALA 59 -13.468 8.521 -4.883
507 1HB ALA 59 1HB ALA 59 -10.963 6.856 -4.789
508 2HB ALA 59 2HB ALA 59 -11.154 8.583 -4.485
509 3HB ALA 59 3HB ALA 59 -11.243 7.962 -6.133
510 H LEU 60 H LEU 60 -13.791 5.154 -5.054
511 HA LEU 60 HA LEU 60 -13.858 4.934 -7.967
512 1HB LEU 60 2HB LEU 60 -14.304 3.121 -5.637
513 2HB LEU 60 1HB LEU 60 -15.059 2.674 -7.165
514 HG LEU 60 HG LEU 60 -12.142 3.440 -6.981
515 1HD1 LEU 60 1HD1 LEU 60 -11.756 1.496 -5.904
516 2HD1 LEU 60 2HD1 LEU 60 -12.352 0.659 -7.337
517 3HD1 LEU 60 3HD1 LEU 60 -13.455 1.039 -6.015
518 1HD2 LEU 60 1HD2 LEU 60 -12.482 1.640 -9.026
519 2HD2 LEU 60 2HD2 LEU 60 -12.517 3.392 -9.228
520 3HD2 LEU 60 3HD2 LEU 60 -14.025 2.494 -9.050
521 H LYS 61 H LYS 61 -16.125 5.589 -5.385
522 HA LYS 61 HA LYS 61 -18.488 5.095 -7.033
523 1HB LYS 61 2HB LYS 61 -19.644 6.311 -5.101
524 2HB LYS 61 1HB LYS 61 -18.795 4.823 -4.679
525 1HG LYS 61 2HG LYS 61 -16.962 6.000 -3.744
526 2HG LYS 61 1HG LYS 61 -17.439 7.516 -4.512
527 1HD LYS 61 2HD LYS 61 -19.545 6.412 -2.805
528 2HD LYS 61 1HD LYS 61 -18.061 6.755 -1.915
529 1HE LYS 61 2HE LYS 61 -18.191 8.998 -3.400
530 2HE LYS 61 1HE LYS 61 -19.913 8.625 -3.303
531 1HZ LYS 61 1HZ LYS 61 -19.562 9.869 -1.414
532 2HZ LYS 61 2HZ LYS 61 -18.018 9.218 -1.129
533 3HZ LYS 61 3HZ LYS 61 -19.407 8.291 -0.812
534 H LYS 62 H LYS 62 -16.166 7.448 -7.133
535 HA LYS 62 HA LYS 62 -18.123 9.555 -7.950
536 1HB LYS 62 2HB LYS 62 -16.103 9.805 -6.149
537 2HB LYS 62 1HB LYS 62 -15.263 10.267 -7.630
538 1HG LYS 62 2HG LYS 62 -17.573 11.649 -7.953
539 2HG LYS 62 1HG LYS 62 -17.456 11.652 -6.192
540 1HD LYS 62 2HD LYS 62 -14.878 12.202 -7.424
541 2HD LYS 62 1HD LYS 62 -16.101 13.362 -7.943
542 1HE LYS 62 2HE LYS 62 -16.731 13.503 -5.430
543 2HE LYS 62 1HE LYS 62 -15.162 12.749 -5.144
544 1HZ LYS 62 1HZ LYS 62 -14.496 14.889 -5.166
545 2HZ LYS 62 2HZ LYS 62 -15.794 15.415 -6.129
546 3HZ LYS 62 3HZ LYS 62 -14.458 14.645 -6.844
547 H VAL 63 H VAL 63 -16.459 7.150 -9.327
548 HA VAL 63 HA VAL 63 -16.343 8.518 -11.913
549 HB VAL 63 HB VAL 63 -14.120 9.010 -10.781
550 1HG1 VAL 63 1HG1 VAL 63 -13.658 6.053 -11.256
551 2HG1 VAL 63 2HG1 VAL 63 -14.008 6.744 -9.671
552 3HG1 VAL 63 3HG1 VAL 63 -12.536 7.203 -10.529
553 1HG2 VAL 63 1HG2 VAL 63 -13.077 8.958 -12.828
554 2HG2 VAL 63 2HG2 VAL 63 -14.699 8.537 -13.379
555 3HG2 VAL 63 3HG2 VAL 63 -13.501 7.270 -13.115
556 H SER 64 H SER 64 -17.129 7.049 -13.338
557 HA SER 64 HA SER 64 -17.868 4.961 -14.147
558 1HB SER 64 2HB SER 64 -15.148 5.120 -14.298
559 2HB SER 64 1HB SER 64 -15.338 3.652 -13.344
560 HG SER 64 HG SER 64 -16.644 4.220 -15.806
Start of MODEL 9
1 1H THR 1 1HT THR 1 20.892 14.243 6.897
2 2H THR 1 2HT THR 1 22.085 14.977 7.858
3 3H THR 1 3HT THR 1 22.063 13.289 7.667
4 HA THR 1 HA THR 1 23.019 15.363 5.847
5 HB THR 1 HB THR 1 24.473 13.781 7.194
6 HG1 THR 1 1HG THR 1 25.117 14.777 5.198
7 1HG2 THR 1 1HG2 THR 1 24.640 11.464 6.393
8 2HG2 THR 1 2HG2 THR 1 23.335 11.759 5.244
9 3HG2 THR 1 3HG2 THR 1 23.010 11.800 6.978
10 H ALA 2 H ALA 2 20.897 12.595 5.875
11 HA ALA 2 HA ALA 2 19.506 11.780 4.158
12 1HB ALA 2 1HB ALA 2 18.891 13.295 2.585
13 2HB ALA 2 2HB ALA 2 20.546 13.491 2.009
14 3HB ALA 2 3HB ALA 2 19.987 14.401 3.412
15 H GLN 3 H GLN 3 21.508 10.185 4.599
16 HA GLN 3 HA GLN 3 22.387 9.336 1.914
17 1HB GLN 3 2HB GLN 3 24.133 10.739 3.713
18 2HB GLN 3 1HB GLN 3 24.688 9.071 3.564
19 1HG GLN 3 2HG GLN 3 23.868 10.213 0.999
20 2HG GLN 3 1HG GLN 3 25.195 11.104 1.747
21 1HE2 GLN 3 1HE2 GLN 3 26.850 9.346 2.862
22 2HE2 GLN 3 2HE2 GLN 3 27.326 8.111 1.800
23 H LYS 4 H LYS 4 20.542 7.976 3.277
24 HA LYS 4 HA LYS 4 21.695 5.402 3.687
25 1HB LYS 4 2HB LYS 4 22.080 7.043 5.899
26 2HB LYS 4 1HB LYS 4 20.642 6.113 6.322
27 1HG LYS 4 2HG LYS 4 22.177 4.141 5.276
28 2HG LYS 4 1HG LYS 4 23.435 5.195 5.922
29 1HD LYS 4 2HD LYS 4 21.060 4.114 7.471
30 2HD LYS 4 1HD LYS 4 22.730 3.564 7.622
31 1HE LYS 4 2HE LYS 4 22.337 6.482 7.919
32 2HE LYS 4 1HE LYS 4 21.628 5.496 9.198
33 1HZ LYS 4 1HZ LYS 4 23.934 4.310 9.073
34 2HZ LYS 4 2HZ LYS 4 23.745 5.742 9.969
35 3HZ LYS 4 3HZ LYS 4 24.440 5.792 8.419
36 H LYS 5 H LYS 5 19.555 6.259 2.208
37 HA LYS 5 HA LYS 5 17.293 5.798 1.790
38 1HB LYS 5 2HB LYS 5 18.149 3.503 2.410
39 2HB LYS 5 1HB LYS 5 17.583 3.809 4.053
40 1HG LYS 5 2HG LYS 5 15.295 4.233 3.140
41 2HG LYS 5 1HG LYS 5 15.886 3.779 1.541
42 1HD LYS 5 2HD LYS 5 16.749 1.658 3.026
43 2HD LYS 5 1HD LYS 5 15.258 2.073 3.872
44 1HE LYS 5 2HE LYS 5 13.952 1.837 1.881
45 2HE LYS 5 1HE LYS 5 15.392 1.760 0.867
46 1HZ LYS 5 1HZ LYS 5 14.627 -0.240 2.925
47 2HZ LYS 5 2HZ LYS 5 15.999 -0.316 1.925
48 3HZ LYS 5 3HZ LYS 5 14.444 -0.434 1.250
49 HA PRO 6 HA PRO 6 15.647 8.415 5.070
50 1HB PRO 6 2HB PRO 6 13.719 9.552 3.471
51 2HB PRO 6 1HB PRO 6 15.402 10.105 3.522
52 1HG PRO 6 2HG PRO 6 14.011 8.511 1.417
53 2HG PRO 6 1HG PRO 6 15.399 9.601 1.265
54 1HD PRO 6 2HD PRO 6 15.520 6.778 1.330
55 2HD PRO 6 1HD PRO 6 16.895 7.884 1.537
56 H ARG 7 H ARG 7 13.600 8.374 6.229
57 HA ARG 7 HA ARG 7 12.328 5.971 6.617
58 1HB ARG 7 2HB ARG 7 10.250 7.372 7.234
59 2HB ARG 7 1HB ARG 7 11.747 7.728 8.097
60 1HG ARG 7 2HG ARG 7 12.209 9.590 6.559
61 2HG ARG 7 1HG ARG 7 10.733 9.228 5.664
62 1HD ARG 7 2HD ARG 7 10.420 9.594 8.593
63 2HD ARG 7 1HD ARG 7 10.826 11.042 7.671
64 HE ARG 7 HE ARG 7 8.727 9.748 6.290
65 1HH1 ARG 7 1HH2 ARG 7 8.934 12.567 7.648
66 2HH1 ARG 7 2HH2 ARG 7 7.502 12.523 8.620
67 1HH2 ARG 7 1HH1 ARG 7 7.051 9.103 8.273
68 2HH2 ARG 7 2HH1 ARG 7 6.435 10.561 8.975
69 H VAL 8 H VAL 8 11.364 4.627 5.192
70 HA VAL 8 HA VAL 8 10.103 5.755 2.759
71 HB VAL 8 HB VAL 8 11.149 3.072 3.585
72 1HG1 VAL 8 1HG1 VAL 8 9.022 2.305 2.897
73 2HG1 VAL 8 2HG1 VAL 8 10.000 2.189 1.435
74 3HG1 VAL 8 3HG1 VAL 8 8.887 3.540 1.645
75 1HG2 VAL 8 1HG2 VAL 8 11.232 4.689 1.020
76 2HG2 VAL 8 2HG2 VAL 8 12.106 3.185 1.309
77 3HG2 VAL 8 3HG2 VAL 8 12.505 4.629 2.239
78 H LEU 9 H LEU 9 8.128 6.581 3.574
79 HA LEU 9 HA LEU 9 6.320 4.595 4.878
80 1HB LEU 9 2HB LEU 9 6.860 6.870 5.973
81 2HB LEU 9 1HB LEU 9 5.848 7.570 4.712
82 HG LEU 9 HG LEU 9 4.086 5.815 5.427
83 1HD1 LEU 9 1HD1 LEU 9 5.107 5.873 8.163
84 2HD1 LEU 9 2HD1 LEU 9 6.183 5.002 7.071
85 3HD1 LEU 9 3HD1 LEU 9 4.496 4.511 7.226
86 1HD2 LEU 9 1HD2 LEU 9 3.908 8.249 5.869
87 2HD2 LEU 9 2HD2 LEU 9 4.853 8.041 7.344
88 3HD2 LEU 9 3HD2 LEU 9 3.257 7.302 7.206
89 H TRP 10 H TRP 10 6.674 6.805 2.159
90 HA TRP 10 HA TRP 10 4.737 5.336 0.591
91 1HB TRP 10 2HB TRP 10 3.916 7.887 1.936
92 2HB TRP 10 1HB TRP 10 3.334 7.572 0.301
93 HD1 TRP 10 HD TRP 10 2.211 7.135 3.647
94 HE1 TRP 10 1HE TRP 10 0.583 5.151 3.899
95 HE3 TRP 10 3HE TRP 10 3.114 4.693 -0.745
96 HZ2 TRP 10 2HZ TRP 10 -0.229 2.836 2.429
97 HZ3 TRP 10 3HZ TRP 10 1.901 2.603 -1.294
98 HH2 TRP 10 HH TRP 10 0.232 1.672 0.286
99 H THR 11 H THR 11 7.055 5.550 -0.374
100 HA THR 11 HA THR 11 7.222 8.072 -1.977
101 HB THR 11 HB THR 11 9.682 7.117 -2.280
102 HG1 THR 11 1HG THR 11 9.488 5.242 -1.167
103 1HG2 THR 11 1HG2 THR 11 10.351 8.419 -0.270
104 2HG2 THR 11 2HG2 THR 11 8.664 8.450 0.244
105 3HG2 THR 11 3HG2 THR 11 9.147 9.266 -1.243
106 H HIS 12 H HIS 12 8.460 7.604 -4.146
107 HA HIS 12 HA HIS 12 6.875 6.040 -5.831
108 1HB HIS 12 2HB HIS 12 9.707 7.015 -5.997
109 2HB HIS 12 1HB HIS 12 9.119 5.894 -7.225
110 HD1 HIS 12 1HD HIS 12 9.777 8.948 -7.776
111 HD2 HIS 12 2HD HIS 12 5.974 7.384 -7.093
112 HE1 HIS 12 1HE HIS 12 8.138 10.575 -8.813
113 H GLU 13 H GLU 13 9.516 5.039 -3.754
114 HA GLU 13 HA GLU 13 9.911 2.435 -4.932
115 1HB GLU 13 2HB GLU 13 11.444 3.702 -3.288
116 2HB GLU 13 1HB GLU 13 10.362 3.119 -2.025
117 1HG GLU 13 2HG GLU 13 11.399 1.125 -2.044
118 2HG GLU 13 1HG GLU 13 10.980 0.919 -3.745
119 H LEU 14 H LEU 14 8.168 3.485 -1.993
120 HA LEU 14 HA LEU 14 7.015 0.967 -1.380
121 1HB LEU 14 2HB LEU 14 6.373 3.809 -0.731
122 2HB LEU 14 1HB LEU 14 5.125 2.602 -0.423
123 HG LEU 14 HG LEU 14 7.978 2.336 0.544
124 1HD1 LEU 14 1HD1 LEU 14 6.933 4.282 1.611
125 2HD1 LEU 14 2HD1 LEU 14 7.057 2.958 2.770
126 3HD1 LEU 14 3HD1 LEU 14 5.509 3.320 2.007
127 1HD2 LEU 14 1HD2 LEU 14 6.833 0.212 0.372
128 2HD2 LEU 14 2HD2 LEU 14 5.393 0.874 1.145
129 3HD2 LEU 14 3HD2 LEU 14 6.875 0.662 2.077
130 H HIS 15 H HIS 15 6.293 3.220 -3.898
131 HA HIS 15 HA HIS 15 3.554 2.314 -4.339
132 1HB HIS 15 2HB HIS 15 4.557 4.587 -5.005
133 2HB HIS 15 1HB HIS 15 5.311 3.731 -6.350
134 HD1 HIS 15 1HD HIS 15 2.055 5.054 -5.149
135 HD2 HIS 15 2HD HIS 15 3.418 2.615 -8.243
136 HE1 HIS 15 1HE HIS 15 0.146 4.859 -6.802
137 H ASN 16 H ASN 16 6.754 1.484 -5.576
138 HA ASN 16 HA ASN 16 5.765 -0.151 -7.759
139 1HB ASN 16 2HB ASN 16 8.443 0.012 -6.356
140 2HB ASN 16 1HB ASN 16 8.138 -1.064 -7.720
141 1HD2 ASN 16 1HD2 ASN 16 6.532 0.559 -9.367
142 2HD2 ASN 16 2HD2 ASN 16 7.419 1.919 -9.859
143 H LYS 17 H LYS 17 6.752 -0.786 -4.409
144 HA LYS 17 HA LYS 17 6.488 -3.667 -4.666
145 1HB LYS 17 2HB LYS 17 6.359 -2.039 -2.115
146 2HB LYS 17 1HB LYS 17 6.840 -3.728 -2.289
147 1HG LYS 17 2HG LYS 17 8.846 -3.124 -3.465
148 2HG LYS 17 1HG LYS 17 8.319 -1.448 -3.623
149 1HD LYS 17 2HD LYS 17 8.397 -1.203 -1.158
150 2HD LYS 17 1HD LYS 17 8.970 -2.866 -1.022
151 1HE LYS 17 2HE LYS 17 10.897 -2.213 -2.536
152 2HE LYS 17 1HE LYS 17 10.379 -0.538 -2.347
153 1HZ LYS 17 1HZ LYS 17 10.928 -2.300 -0.034
154 2HZ LYS 17 2HZ LYS 17 10.783 -0.608 -0.052
155 3HZ LYS 17 3HZ LYS 17 12.136 -1.355 -0.758
156 H PHE 18 H PHE 18 4.372 -1.024 -3.645
157 HA PHE 18 HA PHE 18 2.268 -2.750 -2.661
158 1HB PHE 18 2HB PHE 18 2.356 -0.463 -1.891
159 2HB PHE 18 1HB PHE 18 2.288 0.148 -3.544
160 HD1 PHE 18 1HD PHE 18 0.225 0.856 -4.347
161 HD2 PHE 18 2HD PHE 18 0.358 -2.164 -1.295
162 HE1 PHE 18 1HE PHE 18 -2.253 0.834 -4.263
163 HE2 PHE 18 2HE PHE 18 -2.121 -2.186 -1.210
164 HZ PHE 18 HZ PHE 18 -3.426 -0.688 -2.694
165 H LEU 19 H LEU 19 3.159 -1.518 -5.820
166 HA LEU 19 HA LEU 19 0.560 -2.153 -7.006
167 1HB LEU 19 2HB LEU 19 3.203 -1.164 -8.017
168 2HB LEU 19 1HB LEU 19 2.078 -1.884 -9.170
169 HG LEU 19 HG LEU 19 1.472 0.426 -7.299
170 1HD1 LEU 19 1HD1 LEU 19 2.926 0.986 -9.240
171 2HD1 LEU 19 2HD1 LEU 19 1.340 1.745 -9.359
172 3HD1 LEU 19 3HD1 LEU 19 1.706 0.315 -10.323
173 1HD2 LEU 19 1HD2 LEU 19 -0.201 -1.283 -9.111
174 2HD2 LEU 19 2HD2 LEU 19 -0.599 0.429 -8.958
175 3HD2 LEU 19 3HD2 LEU 19 -0.600 -0.608 -7.531
176 H ALA 20 H ALA 20 3.773 -3.670 -6.877
177 HA ALA 20 HA ALA 20 2.945 -5.889 -8.578
178 1HB ALA 20 1HB ALA 20 5.115 -6.817 -8.125
179 2HB ALA 20 2HB ALA 20 5.307 -5.819 -6.683
180 3HB ALA 20 3HB ALA 20 5.340 -5.075 -8.282
181 H ALA 21 H ALA 21 2.796 -5.125 -5.192
182 HA ALA 21 HA ALA 21 2.440 -7.887 -4.319
183 1HB ALA 21 1HB ALA 21 3.209 -6.540 -2.571
184 2HB ALA 21 2HB ALA 21 1.478 -6.583 -2.236
185 3HB ALA 21 3HB ALA 21 2.186 -5.181 -3.038
186 H VAL 22 H VAL 22 0.318 -5.120 -5.028
187 HA VAL 22 HA VAL 22 -2.127 -6.509 -4.339
188 HB VAL 22 HB VAL 22 -1.778 -4.236 -6.314
189 1HG1 VAL 22 1HG1 VAL 22 -3.995 -5.372 -6.218
190 2HG1 VAL 22 2HG1 VAL 22 -4.067 -3.692 -5.685
191 3HG1 VAL 22 3HG1 VAL 22 -4.080 -4.997 -4.497
192 1HG2 VAL 22 1HG2 VAL 22 -1.544 -2.741 -4.593
193 2HG2 VAL 22 2HG2 VAL 22 -0.813 -4.137 -3.801
194 3HG2 VAL 22 3HG2 VAL 22 -2.496 -3.720 -3.477
195 H ASP 23 H ASP 23 -0.396 -5.879 -7.355
196 HA ASP 23 HA ASP 23 -2.201 -7.159 -9.139
197 1HB ASP 23 2HB ASP 23 -0.070 -5.732 -9.589
198 2HB ASP 23 1HB ASP 23 0.787 -7.261 -9.472
199 H HIS 24 H HIS 24 0.546 -8.422 -7.277
200 HA HIS 24 HA HIS 24 0.556 -11.062 -8.312
201 1HB HIS 24 2HB HIS 24 2.335 -10.266 -6.845
202 2HB HIS 24 1HB HIS 24 1.195 -10.090 -5.511
203 HD1 HIS 24 1HD HIS 24 0.943 -13.060 -7.774
204 HD2 HIS 24 2HD HIS 24 2.503 -12.157 -4.015
205 HE1 HIS 24 1HE HIS 24 1.497 -15.274 -6.678
206 H LEU 25 H LEU 25 -1.674 -9.493 -6.143
207 HA LEU 25 HA LEU 25 -2.977 -12.130 -5.605
208 1HB LEU 25 2HB LEU 25 -3.562 -9.531 -4.181
209 2HB LEU 25 1HB LEU 25 -3.928 -11.172 -3.646
210 HG LEU 25 HG LEU 25 -1.066 -10.483 -4.161
211 1HD1 LEU 25 1HD1 LEU 25 -1.040 -8.798 -2.667
212 2HD1 LEU 25 2HD1 LEU 25 -1.562 -9.943 -1.433
213 3HD1 LEU 25 3HD1 LEU 25 -2.758 -9.014 -2.336
214 1HD2 LEU 25 1HD2 LEU 25 -1.036 -11.896 -1.932
215 2HD2 LEU 25 2HD2 LEU 25 -1.335 -12.699 -3.473
216 3HD2 LEU 25 3HD2 LEU 25 -2.684 -12.310 -2.407
217 H GLY 26 H GLY 26 -3.220 -9.435 -7.583
218 1HA GLY 26 2HA GLY 26 -4.952 -9.052 -9.183
219 2HA GLY 26 1HA GLY 26 -6.007 -10.126 -8.257
220 H VAL 27 H VAL 27 -5.304 -6.895 -8.923
221 HA VAL 27 HA VAL 27 -5.845 -5.534 -6.522
222 HB VAL 27 HB VAL 27 -5.153 -4.345 -8.534
223 1HG1 VAL 27 1HG1 VAL 27 -7.831 -5.284 -9.594
224 2HG1 VAL 27 2HG1 VAL 27 -6.232 -5.644 -10.247
225 3HG1 VAL 27 3HG1 VAL 27 -6.882 -4.008 -10.359
226 1HG2 VAL 27 1HG2 VAL 27 -7.011 -3.454 -6.740
227 2HG2 VAL 27 2HG2 VAL 27 -7.878 -3.217 -8.258
228 3HG2 VAL 27 3HG2 VAL 27 -6.311 -2.447 -8.008
229 H GLU 28 H GLU 28 -7.958 -7.483 -8.418
230 HA GLU 28 HA GLU 28 -10.439 -6.239 -7.544
231 1HB GLU 28 2HB GLU 28 -9.644 -8.428 -9.272
232 2HB GLU 28 1HB GLU 28 -10.980 -8.911 -8.226
233 1HG GLU 28 2HG GLU 28 -12.423 -7.318 -9.098
234 2HG GLU 28 1HG GLU 28 -11.111 -6.233 -9.561
235 H ARG 29 H ARG 29 -8.547 -9.065 -6.471
236 HA ARG 29 HA ARG 29 -10.321 -9.186 -4.062
237 1HB ARG 29 2HB ARG 29 -8.681 -11.398 -5.338
238 2HB ARG 29 1HB ARG 29 -9.675 -11.565 -3.889
239 1HG ARG 29 2HG ARG 29 -11.265 -10.358 -5.945
240 2HG ARG 29 1HG ARG 29 -10.497 -11.802 -6.606
241 1HD ARG 29 2HD ARG 29 -11.309 -13.110 -4.667
242 2HD ARG 29 1HD ARG 29 -12.108 -11.668 -4.040
243 HE ARG 29 HE ARG 29 -13.047 -13.322 -6.257
244 1HH1 ARG 29 1HH2 ARG 29 -14.621 -11.780 -4.088
245 2HH1 ARG 29 2HH2 ARG 29 -15.425 -10.600 -5.068
246 1HH2 ARG 29 1HH1 ARG 29 -13.399 -11.122 -7.832
247 2HH2 ARG 29 2HH1 ARG 29 -14.732 -10.226 -7.186
248 H ALA 30 H ALA 30 -7.614 -7.770 -4.803
249 HA ALA 30 HA ALA 30 -5.727 -8.954 -2.922
250 1HB ALA 30 1HB ALA 30 -5.716 -6.275 -4.342
251 2HB ALA 30 2HB ALA 30 -4.899 -7.743 -4.879
252 3HB ALA 30 3HB ALA 30 -4.369 -6.926 -3.409
253 H VAL 31 H VAL 31 -5.822 -8.669 -0.759
254 HA VAL 31 HA VAL 31 -7.338 -6.325 0.293
255 HB VAL 31 HB VAL 31 -7.321 -7.639 2.446
256 1HG1 VAL 31 1HG1 VAL 31 -8.510 -9.624 0.690
257 2HG1 VAL 31 2HG1 VAL 31 -8.872 -7.990 0.132
258 3HG1 VAL 31 3HG1 VAL 31 -9.301 -8.478 1.772
259 1HG2 VAL 31 1HG2 VAL 31 -6.436 -9.992 0.786
260 2HG2 VAL 31 2HG2 VAL 31 -6.455 -9.820 2.542
261 3HG2 VAL 31 3HG2 VAL 31 -5.242 -8.970 1.587
262 HA PRO 32 HA PRO 32 -3.628 -4.588 1.860
263 1HB PRO 32 2HB PRO 32 -4.574 -3.380 4.144
264 2HB PRO 32 1HB PRO 32 -4.871 -2.759 2.512
265 1HG PRO 32 2HG PRO 32 -6.741 -4.190 4.346
266 2HG PRO 32 1HG PRO 32 -7.102 -3.025 3.061
267 1HD PRO 32 2HD PRO 32 -7.389 -5.827 2.867
268 2HD PRO 32 1HD PRO 32 -7.389 -4.686 1.504
269 H LYS 33 H LYS 33 -5.503 -6.702 3.934
270 HA LYS 33 HA LYS 33 -3.582 -6.945 6.061
271 1HB LYS 33 2HB LYS 33 -5.821 -7.648 6.504
272 2HB LYS 33 1HB LYS 33 -5.847 -8.695 5.086
273 1HG LYS 33 2HG LYS 33 -3.698 -9.259 7.047
274 2HG LYS 33 1HG LYS 33 -5.340 -9.605 7.592
275 1HD LYS 33 2HD LYS 33 -5.385 -10.618 5.043
276 2HD LYS 33 1HD LYS 33 -3.724 -10.959 5.533
277 1HE LYS 33 2HE LYS 33 -5.071 -12.844 6.204
278 2HE LYS 33 1HE LYS 33 -4.649 -11.952 7.665
279 1HZ LYS 33 1HZ LYS 33 -7.192 -11.642 6.164
280 2HZ LYS 33 2HZ LYS 33 -6.786 -10.884 7.629
281 3HZ LYS 33 3HZ LYS 33 -7.008 -12.566 7.574
282 H LYS 34 H LYS 34 -4.283 -9.014 3.223
283 HA LYS 34 HA LYS 34 -2.081 -10.802 3.745
284 1HB LYS 34 2HB LYS 34 -3.926 -10.286 1.443
285 2HB LYS 34 1HB LYS 34 -2.442 -11.189 1.130
286 1HG LYS 34 2HG LYS 34 -3.281 -12.426 3.396
287 2HG LYS 34 1HG LYS 34 -4.836 -11.974 2.694
288 1HD LYS 34 2HD LYS 34 -3.809 -12.934 0.479
289 2HD LYS 34 1HD LYS 34 -2.707 -13.774 1.571
290 1HE LYS 34 2HE LYS 34 -5.736 -13.910 1.647
291 2HE LYS 34 1HE LYS 34 -4.654 -15.188 1.094
292 1HZ LYS 34 1HZ LYS 34 -4.959 -14.113 3.834
293 2HZ LYS 34 2HZ LYS 34 -3.616 -15.046 3.373
294 3HZ LYS 34 3HZ LYS 34 -5.179 -15.709 3.303
295 H ILE 35 H ILE 35 -2.440 -7.898 1.704
296 HA ILE 35 HA ILE 35 0.173 -8.086 0.547
297 HB ILE 35 HB ILE 35 -1.661 -5.736 1.032
298 1HG1 ILE 35 2HG1 ILE 35 -1.067 -7.663 -1.177
299 2HG1 ILE 35 1HG1 ILE 35 -2.606 -6.955 -0.698
300 1HG2 ILE 35 1HG2 ILE 35 0.940 -5.777 -0.536
301 2HG2 ILE 35 2HG2 ILE 35 0.748 -5.037 1.052
302 3HG2 ILE 35 3HG2 ILE 35 -0.138 -4.396 -0.331
303 1HD1 ILE 35 1HD1 ILE 35 -0.541 -5.920 -2.568
304 2HD1 ILE 35 2HD1 ILE 35 -1.341 -4.725 -1.547
305 3HD1 ILE 35 3HD1 ILE 35 -2.295 -5.748 -2.621
306 H LEU 36 H LEU 36 -0.969 -7.109 3.671
307 HA LEU 36 HA LEU 36 1.161 -5.457 4.528
308 1HB LEU 36 2HB LEU 36 -0.782 -5.854 5.960
309 2HB LEU 36 1HB LEU 36 -0.380 -7.567 6.080
310 HG LEU 36 HG LEU 36 1.871 -6.815 7.046
311 1HD1 LEU 36 1HD1 LEU 36 0.571 -4.309 7.943
312 2HD1 LEU 36 2HD1 LEU 36 1.068 -4.337 6.251
313 3HD1 LEU 36 3HD1 LEU 36 2.257 -4.616 7.525
314 1HD2 LEU 36 1HD2 LEU 36 -0.377 -7.565 8.263
315 2HD2 LEU 36 2HD2 LEU 36 -0.338 -5.901 8.847
316 3HD2 LEU 36 3HD2 LEU 36 1.008 -6.987 9.190
317 H ASP 37 H ASP 37 0.958 -8.963 4.130
318 HA ASP 37 HA ASP 37 3.615 -9.396 5.290
319 1HB ASP 37 2HB ASP 37 3.332 -11.710 4.605
320 2HB ASP 37 1HB ASP 37 1.814 -11.155 5.308
321 H LEU 38 H LEU 38 2.212 -8.781 2.150
322 HA LEU 38 HA LEU 38 4.417 -9.582 0.516
323 1HB LEU 38 2HB LEU 38 2.132 -7.649 0.196
324 2HB LEU 38 1HB LEU 38 3.415 -7.696 -1.014
325 HG LEU 38 HG LEU 38 2.232 -10.295 -0.140
326 1HD1 LEU 38 1HD1 LEU 38 0.688 -9.637 -2.319
327 2HD1 LEU 38 2HD1 LEU 38 0.741 -8.109 -1.439
328 3HD1 LEU 38 3HD1 LEU 38 0.139 -9.564 -0.645
329 1HD2 LEU 38 1HD2 LEU 38 2.745 -10.902 -2.431
330 2HD2 LEU 38 2HD2 LEU 38 4.141 -10.054 -1.769
331 3HD2 LEU 38 3HD2 LEU 38 3.036 -9.216 -2.858
332 H MET 39 H MET 39 3.759 -6.673 2.402
333 HA MET 39 HA MET 39 6.118 -5.302 1.271
334 1HB MET 39 2HB MET 39 3.883 -4.566 3.116
335 2HB MET 39 1HB MET 39 5.392 -3.662 3.245
336 1HG MET 39 2HG MET 39 5.230 -2.819 1.075
337 2HG MET 39 1HG MET 39 4.180 -4.130 0.537
338 1HE MET 39 1HE MET 39 2.783 -0.274 0.703
339 2HE MET 39 2HE MET 39 4.284 -1.082 0.256
340 3HE MET 39 3HE MET 39 4.124 -0.356 1.854
341 H ASN 40 H ASN 40 5.088 -6.769 4.344
342 HA ASN 40 HA ASN 40 6.342 -7.358 6.240
343 1HB ASN 40 2HB ASN 40 7.404 -8.703 4.261
344 2HB ASN 40 1HB ASN 40 8.740 -7.565 4.432
345 1HD2 ASN 40 1HD2 ASN 40 9.995 -7.631 6.429
346 2HD2 ASN 40 2HD2 ASN 40 9.871 -8.934 7.510
347 H VAL 41 H VAL 41 6.309 -4.509 5.261
348 HA VAL 41 HA VAL 41 8.943 -3.444 5.970
349 HB VAL 41 HB VAL 41 6.331 -1.939 5.678
350 1HG1 VAL 41 1HG1 VAL 41 9.138 -0.986 5.104
351 2HG1 VAL 41 2HG1 VAL 41 8.439 -0.872 6.719
352 3HG1 VAL 41 3HG1 VAL 41 7.688 -0.019 5.371
353 1HG2 VAL 41 1HG2 VAL 41 7.322 -3.515 3.726
354 2HG2 VAL 41 2HG2 VAL 41 8.309 -2.078 3.455
355 3HG2 VAL 41 3HG2 VAL 41 6.551 -1.964 3.388
356 H ASP 42 H ASP 42 9.447 -2.331 7.896
357 HA ASP 42 HA ASP 42 7.776 -3.086 10.212
358 1HB ASP 42 2HB ASP 42 9.659 -2.382 11.565
359 2HB ASP 42 1HB ASP 42 10.282 -3.352 10.229
360 H LYS 43 H LYS 43 6.926 -1.526 11.683
361 HA LYS 43 HA LYS 43 6.168 0.588 12.386
362 1HB LYS 43 2HB LYS 43 7.542 2.331 11.948
363 2HB LYS 43 1HB LYS 43 8.500 1.205 10.996
364 1HG LYS 43 2HG LYS 43 7.062 1.789 9.004
365 2HG LYS 43 1HG LYS 43 6.311 3.044 9.989
366 1HD LYS 43 2HD LYS 43 7.992 4.311 9.064
367 2HD LYS 43 1HD LYS 43 8.887 3.660 10.438
368 1HE LYS 43 2HE LYS 43 10.318 3.187 8.643
369 2HE LYS 43 1HE LYS 43 9.428 1.676 8.823
370 1HZ LYS 43 1HZ LYS 43 7.825 3.050 7.183
371 2HZ LYS 43 2HZ LYS 43 9.020 1.966 6.653
372 3HZ LYS 43 3HZ LYS 43 9.340 3.633 6.694
373 H LEU 44 H LEU 44 5.545 -0.981 9.523
374 HA LEU 44 HA LEU 44 3.544 0.986 8.568
375 1HB LEU 44 2HB LEU 44 4.780 -1.506 7.473
376 2HB LEU 44 1HB LEU 44 3.162 -1.081 6.918
377 HG LEU 44 HG LEU 44 5.629 0.677 6.783
378 1HD1 LEU 44 1HD1 LEU 44 5.909 -0.321 4.783
379 2HD1 LEU 44 2HD1 LEU 44 4.366 0.367 4.277
380 3HD1 LEU 44 3HD1 LEU 44 4.422 -1.245 4.990
381 1HD2 LEU 44 1HD2 LEU 44 4.178 2.408 6.781
382 2HD2 LEU 44 2HD2 LEU 44 2.795 1.315 6.807
383 3HD2 LEU 44 3HD2 LEU 44 3.528 1.774 5.269
384 H THR 45 H THR 45 1.406 0.810 9.086
385 HA THR 45 HA THR 45 0.574 -1.596 10.635
386 HB THR 45 HB THR 45 -1.111 -0.250 11.623
387 HG1 THR 45 1HG THR 45 -2.069 1.231 10.507
388 1HG2 THR 45 1HG2 THR 45 1.018 0.371 12.531
389 2HG2 THR 45 2HG2 THR 45 0.130 1.871 12.267
390 3HG2 THR 45 3HG2 THR 45 1.389 1.380 11.133
391 H ARG 46 H ARG 46 -1.617 -2.462 10.179
392 HA ARG 46 HA ARG 46 -2.040 -2.729 7.304
393 1HB ARG 46 2HB ARG 46 -3.725 -4.347 7.887
394 2HB ARG 46 1HB ARG 46 -2.377 -4.586 8.999
395 1HG ARG 46 2HG ARG 46 -3.649 -2.936 10.551
396 2HG ARG 46 1HG ARG 46 -5.044 -3.289 9.531
397 1HD ARG 46 2HD ARG 46 -4.849 -5.669 10.009
398 2HD ARG 46 1HD ARG 46 -3.365 -5.396 10.923
399 HE ARG 46 HE ARG 46 -4.721 -4.830 12.756
400 1HH1 ARG 46 1HH2 ARG 46 -7.035 -6.116 11.174
401 2HH1 ARG 46 2HH2 ARG 46 -8.236 -4.873 11.306
402 1HH2 ARG 46 1HH1 ARG 46 -5.987 -2.441 12.333
403 2HH2 ARG 46 2HH1 ARG 46 -7.641 -2.793 11.961
404 H GLU 47 H GLU 47 -3.317 -0.757 9.853
405 HA GLU 47 HA GLU 47 -5.837 -0.128 8.556
406 1HB GLU 47 2HB GLU 47 -4.343 0.775 10.944
407 2HB GLU 47 1HB GLU 47 -5.369 2.002 10.199
408 1HG GLU 47 2HG GLU 47 -6.911 -0.347 10.191
409 2HG GLU 47 1HG GLU 47 -6.140 -0.303 11.777
410 H ASN 48 H ASN 48 -2.566 1.150 8.422
411 HA ASN 48 HA ASN 48 -3.254 3.633 7.117
412 1HB ASN 48 2HB ASN 48 -0.698 2.026 7.308
413 2HB ASN 48 1HB ASN 48 -0.791 3.539 6.404
414 1HD2 ASN 48 1HD2 ASN 48 -2.278 5.219 7.949
415 2HD2 ASN 48 2HD2 ASN 48 -1.606 5.401 9.498
416 H VAL 49 H VAL 49 -2.420 0.387 5.955
417 HA VAL 49 HA VAL 49 -2.518 1.245 3.149
418 HB VAL 49 HB VAL 49 -2.541 -1.608 4.143
419 1HG1 VAL 49 1HG1 VAL 49 -2.420 -0.340 1.600
420 2HG1 VAL 49 2HG1 VAL 49 -2.267 -2.061 1.957
421 3HG1 VAL 49 3HG1 VAL 49 -0.830 -1.040 1.905
422 1HG2 VAL 49 1HG2 VAL 49 -0.589 0.386 4.742
423 2HG2 VAL 49 2HG2 VAL 49 0.108 -0.692 3.532
424 3HG2 VAL 49 3HG2 VAL 49 -0.497 -1.348 5.054
425 H ALA 50 H ALA 50 -4.674 -0.094 5.536
426 HA ALA 50 HA ALA 50 -6.646 -1.022 3.599
427 1HB ALA 50 1HB ALA 50 -7.433 -0.398 6.407
428 2HB ALA 50 2HB ALA 50 -6.234 -1.669 6.168
429 3HB ALA 50 3HB ALA 50 -7.823 -1.805 5.417
430 H SER 51 H SER 51 -5.862 1.980 5.133
431 HA SER 51 HA SER 51 -8.498 3.182 4.749
432 1HB SER 51 2HB SER 51 -5.820 4.512 5.261
433 2HB SER 51 1HB SER 51 -7.404 5.265 5.427
434 HG SER 51 HG SER 51 -6.646 4.522 7.433
435 H HIS 52 H HIS 52 -5.350 3.304 3.088
436 HA HIS 52 HA HIS 52 -6.196 5.171 1.065
437 1HB HIS 52 2HB HIS 52 -3.797 4.532 1.680
438 2HB HIS 52 1HB HIS 52 -4.051 3.061 0.740
439 HD1 HIS 52 1HD HIS 52 -2.697 6.296 0.321
440 HD2 HIS 52 2HD HIS 52 -5.231 3.945 -2.009
441 HE1 HIS 52 1HE HIS 52 -2.565 7.218 -2.035
442 H LEU 53 H LEU 53 -6.525 1.709 1.453
443 HA LEU 53 HA LEU 53 -7.184 1.173 -1.327
444 1HB LEU 53 2HB LEU 53 -6.352 -0.628 0.094
445 2HB LEU 53 1HB LEU 53 -7.704 -0.413 1.206
446 HG LEU 53 HG LEU 53 -9.152 -0.797 -0.971
447 1HD1 LEU 53 1HD1 LEU 53 -6.670 -1.001 -2.103
448 2HD1 LEU 53 2HD1 LEU 53 -8.124 -1.746 -2.768
449 3HD1 LEU 53 3HD1 LEU 53 -7.029 -2.693 -1.762
450 1HD2 LEU 53 1HD2 LEU 53 -9.251 -2.266 0.957
451 2HD2 LEU 53 2HD2 LEU 53 -7.683 -2.966 0.557
452 3HD2 LEU 53 3HD2 LEU 53 -9.076 -3.267 -0.483
453 H GLN 54 H GLN 54 -9.041 1.843 1.626
454 HA GLN 54 HA GLN 54 -11.625 1.380 0.441
455 1HB GLN 54 2HB GLN 54 -10.608 2.738 2.908
456 2HB GLN 54 1HB GLN 54 -12.266 3.064 2.398
457 1HG GLN 54 2HG GLN 54 -12.832 0.724 2.476
458 2HG GLN 54 1HG GLN 54 -11.145 0.270 2.721
459 1HE2 GLN 54 1HE2 GLN 54 -12.611 3.064 4.347
460 2HE2 GLN 54 2HE2 GLN 54 -12.569 2.397 5.907
461 H LYS 55 H LYS 55 -9.600 4.280 0.820
462 HA LYS 55 HA LYS 55 -11.564 6.065 -0.346
463 1HB LYS 55 2HB LYS 55 -8.659 6.243 0.374
464 2HB LYS 55 1HB LYS 55 -9.342 7.465 -0.700
465 1HG LYS 55 2HG LYS 55 -10.729 8.327 0.933
466 2HG LYS 55 1HG LYS 55 -10.871 6.783 1.774
467 1HD LYS 55 2HD LYS 55 -8.159 7.399 1.962
468 2HD LYS 55 1HD LYS 55 -8.965 8.949 2.202
469 1HE LYS 55 2HE LYS 55 -9.727 6.413 3.676
470 2HE LYS 55 1HE LYS 55 -8.634 7.636 4.327
471 1HZ LYS 55 1HZ LYS 55 -10.621 9.198 3.657
472 2HZ LYS 55 2HZ LYS 55 -10.595 8.389 5.150
473 3HZ LYS 55 3HZ LYS 55 -11.518 7.774 3.863
474 H PHE 56 H PHE 56 -8.954 4.065 -1.607
475 HA PHE 56 HA PHE 56 -8.840 5.255 -4.221
476 1HB PHE 56 2HB PHE 56 -7.103 3.703 -3.310
477 2HB PHE 56 1HB PHE 56 -8.259 2.378 -3.446
478 HD1 PHE 56 1HD PHE 56 -7.369 1.016 -5.164
479 HD2 PHE 56 2HD PHE 56 -7.727 5.254 -5.764
480 HE1 PHE 56 1HE PHE 56 -6.763 0.730 -7.552
481 HE2 PHE 56 2HE PHE 56 -7.121 4.968 -8.152
482 HZ PHE 56 HZ PHE 56 -6.639 2.705 -9.046
483 H ARG 57 H ARG 57 -10.733 2.522 -2.908
484 HA ARG 57 HA ARG 57 -11.991 1.763 -5.344
485 1HB ARG 57 2HB ARG 57 -13.295 1.767 -2.603
486 2HB ARG 57 1HB ARG 57 -13.690 0.724 -3.968
487 1HG ARG 57 2HG ARG 57 -10.855 0.652 -3.142
488 2HG ARG 57 1HG ARG 57 -11.988 0.017 -1.949
489 1HD ARG 57 2HD ARG 57 -12.970 -1.459 -3.676
490 2HD ARG 57 1HD ARG 57 -11.812 -0.841 -4.853
491 HE ARG 57 HE ARG 57 -10.384 -1.827 -2.583
492 1HH1 ARG 57 1HH1 ARG 57 -11.863 -2.626 -5.568
493 2HH1 ARG 57 2HH1 ARG 57 -11.308 -4.267 -5.568
494 1HH2 ARG 57 1HH2 ARG 57 -9.851 -4.053 -2.429
495 2HH2 ARG 57 2HH2 ARG 57 -10.171 -5.075 -3.790
496 H VAL 58 H VAL 58 -12.814 4.260 -2.954
497 HA VAL 58 HA VAL 58 -15.251 5.107 -4.225
498 HB VAL 58 HB VAL 58 -13.288 6.509 -2.389
499 1HG1 VAL 58 1HG1 VAL 58 -15.381 7.642 -4.060
500 2HG1 VAL 58 2HG1 VAL 58 -14.209 8.466 -3.033
501 3HG1 VAL 58 3HG1 VAL 58 -15.729 7.891 -2.350
502 1HG2 VAL 58 1HG2 VAL 58 -15.936 6.257 -1.358
503 2HG2 VAL 58 2HG2 VAL 58 -14.475 5.441 -0.800
504 3HG2 VAL 58 3HG2 VAL 58 -15.483 4.695 -2.040
505 H ALA 59 H ALA 59 -11.848 5.884 -4.662
506 HA ALA 59 HA ALA 59 -12.367 8.012 -6.596
507 1HB ALA 59 1HB ALA 59 -10.321 8.094 -5.262
508 2HB ALA 59 2HB ALA 59 -9.897 7.896 -6.963
509 3HB ALA 59 3HB ALA 59 -9.833 6.513 -5.871
510 H LEU 60 H LEU 60 -12.376 4.628 -6.639
511 HA LEU 60 HA LEU 60 -11.551 4.364 -9.453
512 1HB LEU 60 2HB LEU 60 -12.258 2.515 -7.215
513 2HB LEU 60 1HB LEU 60 -12.486 1.925 -8.859
514 HG LEU 60 HG LEU 60 -9.908 3.206 -7.928
515 1HD1 LEU 60 1HD1 LEU 60 -9.654 0.384 -8.314
516 2HD1 LEU 60 2HD1 LEU 60 -10.982 0.663 -7.187
517 3HD1 LEU 60 3HD1 LEU 60 -9.379 1.310 -6.839
518 1HD2 LEU 60 1HD2 LEU 60 -10.844 2.676 -10.452
519 2HD2 LEU 60 2HD2 LEU 60 -9.969 1.190 -10.085
520 3HD2 LEU 60 3HD2 LEU 60 -9.135 2.743 -10.021
521 H LYS 61 H LYS 61 -14.387 5.092 -7.729
522 HA LYS 61 HA LYS 61 -16.010 4.498 -10.165
523 1HB LYS 61 2HB LYS 61 -17.897 3.849 -8.739
524 2HB LYS 61 1HB LYS 61 -16.503 2.827 -8.387
525 1HG LYS 61 2HG LYS 61 -15.967 4.125 -6.415
526 2HG LYS 61 1HG LYS 61 -17.206 5.317 -6.810
527 1HD LYS 61 2HD LYS 61 -17.951 2.422 -6.459
528 2HD LYS 61 1HD LYS 61 -17.763 3.468 -5.051
529 1HE LYS 61 2HE LYS 61 -19.287 4.940 -6.922
530 2HE LYS 61 1HE LYS 61 -19.971 3.314 -6.901
531 1HZ LYS 61 1HZ LYS 61 -20.752 5.052 -5.175
532 2HZ LYS 61 2HZ LYS 61 -19.311 4.656 -4.367
533 3HZ LYS 61 3HZ LYS 61 -20.472 3.455 -4.678
534 H LYS 62 H LYS 62 -14.760 6.869 -8.326
535 HA LYS 62 HA LYS 62 -17.182 8.603 -8.619
536 1HB LYS 62 2HB LYS 62 -16.248 8.196 -6.263
537 2HB LYS 62 1HB LYS 62 -14.853 9.149 -6.771
538 1HG LYS 62 2HG LYS 62 -15.995 11.046 -6.391
539 2HG LYS 62 1HG LYS 62 -17.224 10.546 -7.554
540 1HD LYS 62 2HD LYS 62 -17.627 8.996 -5.207
541 2HD LYS 62 1HD LYS 62 -17.426 10.672 -4.693
542 1HE LYS 62 2HE LYS 62 -19.048 11.105 -6.774
543 2HE LYS 62 1HE LYS 62 -19.548 9.454 -6.402
544 1HZ LYS 62 1HZ LYS 62 -20.364 11.745 -5.127
545 2HZ LYS 62 2HZ LYS 62 -19.283 11.013 -4.039
546 3HZ LYS 62 3HZ LYS 62 -20.630 10.150 -4.614
547 H VAL 63 H VAL 63 -14.013 7.997 -9.702
548 HA VAL 63 HA VAL 63 -13.293 10.734 -10.371
549 HB VAL 63 HB VAL 63 -11.535 9.079 -10.102
550 1HG1 VAL 63 1HG1 VAL 63 -11.369 7.232 -11.842
551 2HG1 VAL 63 2HG1 VAL 63 -13.021 7.632 -12.308
552 3HG1 VAL 63 3HG1 VAL 63 -12.683 7.050 -10.679
553 1HG2 VAL 63 1HG2 VAL 63 -10.322 10.086 -11.718
554 2HG2 VAL 63 2HG2 VAL 63 -11.828 10.769 -12.331
555 3HG2 VAL 63 3HG2 VAL 63 -11.219 9.248 -12.984
556 H SER 64 H SER 64 -13.873 11.868 -12.174
557 HA SER 64 HA SER 64 -15.093 12.375 -14.120
558 1HB SER 64 2HB SER 64 -14.471 11.079 -16.035
559 2HB SER 64 1HB SER 64 -13.072 11.066 -14.966
560 HG SER 64 HG SER 64 -14.712 9.023 -15.768
Start of MODEL 10
1 1H THR 1 1HT THR 1 20.771 18.142 5.280
2 2H THR 1 2HT THR 1 19.724 18.948 6.348
3 3H THR 1 3HT THR 1 20.863 19.828 5.446
4 HA THR 1 HA THR 1 18.440 19.839 4.661
5 HB THR 1 HB THR 1 20.278 20.744 3.326
6 HG1 THR 1 1HG THR 1 19.480 19.746 1.208
7 1HG2 THR 1 1HG2 THR 1 22.014 19.428 2.783
8 2HG2 THR 1 2HG2 THR 1 20.966 18.517 1.696
9 3HG2 THR 1 3HG2 THR 1 21.144 18.012 3.375
10 H ALA 2 H ALA 2 18.476 17.301 5.908
11 HA ALA 2 HA ALA 2 17.653 15.119 5.635
12 1HB ALA 2 1HB ALA 2 16.169 15.070 3.365
13 2HB ALA 2 2HB ALA 2 16.264 16.811 3.632
14 3HB ALA 2 3HB ALA 2 15.590 15.762 4.880
15 H GLN 3 H GLN 3 17.467 13.302 3.805
16 HA GLN 3 HA GLN 3 20.002 13.457 2.224
17 1HB GLN 3 2HB GLN 3 18.856 11.391 3.972
18 2HB GLN 3 1HB GLN 3 19.365 10.773 2.399
19 1HG GLN 3 2HG GLN 3 21.595 11.647 2.696
20 2HG GLN 3 1HG GLN 3 21.116 12.507 4.160
21 1HE2 GLN 3 1HE2 GLN 3 22.367 9.530 2.979
22 2HE2 GLN 3 2HE2 GLN 3 22.231 8.643 4.419
23 H LYS 4 H LYS 4 17.873 14.562 0.970
24 HA LYS 4 HA LYS 4 16.370 14.345 -0.839
25 1HB LYS 4 2HB LYS 4 18.668 12.508 -1.554
26 2HB LYS 4 1HB LYS 4 17.363 12.882 -2.680
27 1HG LYS 4 2HG LYS 4 18.035 15.385 -1.799
28 2HG LYS 4 1HG LYS 4 19.603 14.575 -1.771
29 1HD LYS 4 2HD LYS 4 19.385 13.932 -4.095
30 2HD LYS 4 1HD LYS 4 17.727 14.533 -4.150
31 1HE LYS 4 2HE LYS 4 18.506 16.559 -4.736
32 2HE LYS 4 1HE LYS 4 19.347 16.661 -3.189
33 1HZ LYS 4 1HZ LYS 4 20.778 16.862 -5.219
34 2HZ LYS 4 2HZ LYS 4 20.453 15.224 -5.532
35 3HZ LYS 4 3HZ LYS 4 21.262 15.675 -4.108
36 H LYS 5 H LYS 5 15.310 12.943 1.211
37 HA LYS 5 HA LYS 5 13.899 10.794 -0.154
38 1HB LYS 5 2HB LYS 5 15.834 9.499 0.462
39 2HB LYS 5 1HB LYS 5 15.813 10.151 2.101
40 1HG LYS 5 2HG LYS 5 14.349 8.577 2.766
41 2HG LYS 5 1HG LYS 5 13.238 9.004 1.463
42 1HD LYS 5 2HD LYS 5 13.799 6.739 1.041
43 2HD LYS 5 1HD LYS 5 14.809 7.659 -0.076
44 1HE LYS 5 2HE LYS 5 16.741 7.390 1.281
45 2HE LYS 5 1HE LYS 5 15.789 6.860 2.668
46 1HZ LYS 5 1HZ LYS 5 15.208 4.857 1.499
47 2HZ LYS 5 2HZ LYS 5 16.899 5.018 1.521
48 3HZ LYS 5 3HZ LYS 5 16.028 5.375 0.107
49 HA PRO 6 HA PRO 6 11.289 12.732 2.978
50 1HB PRO 6 2HB PRO 6 8.946 12.170 1.653
51 2HB PRO 6 1HB PRO 6 9.966 13.572 1.286
52 1HG PRO 6 2HG PRO 6 9.636 11.036 -0.252
53 2HG PRO 6 1HG PRO 6 10.086 12.650 -0.829
54 1HD PRO 6 2HD PRO 6 11.867 10.499 -0.395
55 2HD PRO 6 1HD PRO 6 12.324 12.201 -0.625
56 H ARG 7 H ARG 7 9.772 11.806 4.517
57 HA ARG 7 HA ARG 7 10.215 9.275 5.485
58 1HB ARG 7 2HB ARG 7 8.668 11.103 6.427
59 2HB ARG 7 1HB ARG 7 7.408 10.391 5.418
60 1HG ARG 7 2HG ARG 7 7.081 8.752 6.920
61 2HG ARG 7 1HG ARG 7 8.782 8.293 6.824
62 1HD ARG 7 2HD ARG 7 8.851 8.963 8.999
63 2HD ARG 7 1HD ARG 7 8.939 10.584 8.310
64 HE ARG 7 HE ARG 7 6.280 10.330 8.460
65 1HH1 ARG 7 1HH1 ARG 7 8.626 10.792 10.742
66 2HH1 ARG 7 2HH1 ARG 7 7.684 10.286 12.104
67 1HH2 ARG 7 1HH2 ARG 7 5.091 9.026 10.179
68 2HH2 ARG 7 2HH2 ARG 7 5.683 9.286 11.785
69 H VAL 8 H VAL 8 10.369 7.517 4.128
70 HA VAL 8 HA VAL 8 8.657 7.066 1.871
71 HB VAL 8 HB VAL 8 10.692 5.477 3.379
72 1HG1 VAL 8 1HG1 VAL 8 9.213 3.677 3.194
73 2HG1 VAL 8 2HG1 VAL 8 10.086 3.578 1.666
74 3HG1 VAL 8 3HG1 VAL 8 8.480 4.303 1.717
75 1HG2 VAL 8 1HG2 VAL 8 10.254 5.775 0.405
76 2HG2 VAL 8 2HG2 VAL 8 11.753 5.391 1.253
77 3HG2 VAL 8 3HG2 VAL 8 11.072 7.015 1.357
78 H LEU 9 H LEU 9 6.507 7.340 2.691
79 HA LEU 9 HA LEU 9 5.562 5.137 4.475
80 1HB LEU 9 2HB LEU 9 5.270 7.627 5.129
81 2HB LEU 9 1HB LEU 9 4.050 7.674 3.858
82 HG LEU 9 HG LEU 9 3.099 5.542 5.032
83 1HD1 LEU 9 1HD1 LEU 9 4.831 5.071 6.601
84 2HD1 LEU 9 2HD1 LEU 9 3.514 5.753 7.557
85 3HD1 LEU 9 3HD1 LEU 9 4.907 6.750 7.135
86 1HD2 LEU 9 1HD2 LEU 9 1.998 7.775 4.941
87 2HD2 LEU 9 2HD2 LEU 9 2.904 8.259 6.375
88 3HD2 LEU 9 3HD2 LEU 9 1.715 6.961 6.480
89 H TRP 10 H TRP 10 5.230 6.747 1.410
90 HA TRP 10 HA TRP 10 3.850 4.508 0.213
91 1HB TRP 10 2HB TRP 10 2.288 6.967 0.985
92 2HB TRP 10 1HB TRP 10 1.844 6.055 -0.458
93 HD1 TRP 10 HD TRP 10 0.805 6.262 2.913
94 HE1 TRP 10 1HE TRP 10 -0.111 4.031 3.824
95 HE3 TRP 10 3HE TRP 10 2.624 3.055 -0.621
96 HZ2 TRP 10 2HZ TRP 10 -0.075 1.253 3.143
97 HZ3 TRP 10 3HZ TRP 10 2.169 0.624 -0.466
98 HH2 TRP 10 HH TRP 10 0.823 -0.280 1.411
99 H THR 11 H THR 11 6.132 5.397 -0.671
100 HA THR 11 HA THR 11 5.526 7.370 -2.844
101 HB THR 11 HB THR 11 8.058 7.664 -2.889
102 HG1 THR 11 1HG THR 11 9.073 6.270 -1.714
103 1HG2 THR 11 1HG2 THR 11 7.149 9.490 -1.866
104 2HG2 THR 11 2HG2 THR 11 7.873 8.778 -0.424
105 3HG2 THR 11 3HG2 THR 11 6.164 8.515 -0.775
106 H HIS 12 H HIS 12 7.152 6.980 -4.778
107 HA HIS 12 HA HIS 12 6.466 4.635 -6.115
108 1HB HIS 12 2HB HIS 12 7.536 6.459 -7.295
109 2HB HIS 12 1HB HIS 12 9.011 6.258 -6.349
110 HD1 HIS 12 1HD HIS 12 10.442 4.094 -6.811
111 HD2 HIS 12 2HD HIS 12 7.247 4.640 -9.431
112 HE1 HIS 12 1HE HIS 12 10.831 2.517 -8.754
113 H GLU 13 H GLU 13 8.790 5.022 -3.562
114 HA GLU 13 HA GLU 13 10.233 2.554 -4.139
115 1HB GLU 13 2HB GLU 13 11.037 4.634 -2.801
116 2HB GLU 13 1HB GLU 13 10.146 3.923 -1.458
117 1HG GLU 13 2HG GLU 13 12.347 3.068 -1.229
118 2HG GLU 13 1HG GLU 13 11.435 1.756 -1.976
119 H LEU 14 H LEU 14 7.866 3.557 -1.654
120 HA LEU 14 HA LEU 14 7.542 0.777 -0.774
121 1HB LEU 14 2HB LEU 14 6.619 3.447 0.142
122 2HB LEU 14 1HB LEU 14 5.591 2.076 0.549
123 HG LEU 14 HG LEU 14 8.549 2.335 1.157
124 1HD1 LEU 14 1HD1 LEU 14 6.167 2.161 3.025
125 2HD1 LEU 14 2HD1 LEU 14 6.957 3.674 2.581
126 3HD1 LEU 14 3HD1 LEU 14 7.847 2.444 3.478
127 1HD2 LEU 14 1HD2 LEU 14 8.374 0.052 0.945
128 2HD2 LEU 14 2HD2 LEU 14 6.631 0.056 1.214
129 3HD2 LEU 14 3HD2 LEU 14 7.735 0.201 2.583
130 H HIS 15 H HIS 15 5.254 3.238 -2.021
131 HA HIS 15 HA HIS 15 3.027 1.606 -2.377
132 1HB HIS 15 2HB HIS 15 3.103 4.077 -2.789
133 2HB HIS 15 1HB HIS 15 3.926 3.756 -4.316
134 HD1 HIS 15 1HD HIS 15 2.528 1.989 -5.936
135 HD2 HIS 15 2HD HIS 15 0.353 4.057 -3.043
136 HE1 HIS 15 1HE HIS 15 0.096 1.851 -6.632
137 H ASN 16 H ASN 16 6.007 1.564 -4.144
138 HA ASN 16 HA ASN 16 4.955 0.227 -6.499
139 1HB ASN 16 2HB ASN 16 7.661 0.842 -5.415
140 2HB ASN 16 1HB ASN 16 7.537 -0.465 -6.594
141 1HD2 ASN 16 1HD2 ASN 16 7.934 0.330 -8.658
142 2HD2 ASN 16 2HD2 ASN 16 7.410 1.834 -9.243
143 H LYS 17 H LYS 17 6.533 -0.912 -3.512
144 HA LYS 17 HA LYS 17 6.614 -3.674 -4.270
145 1HB LYS 17 2HB LYS 17 6.398 -2.454 -1.498
146 2HB LYS 17 1HB LYS 17 6.880 -4.113 -1.855
147 1HG LYS 17 2HG LYS 17 8.823 -3.291 -3.121
148 2HG LYS 17 1HG LYS 17 8.338 -1.625 -2.796
149 1HD LYS 17 2HD LYS 17 9.011 -1.712 -0.601
150 2HD LYS 17 1HD LYS 17 8.610 -3.421 -0.438
151 1HE LYS 17 2HE LYS 17 10.878 -3.683 -0.506
152 2HE LYS 17 1HE LYS 17 10.627 -3.577 -2.248
153 1HZ LYS 17 1HZ LYS 17 10.858 -1.045 -0.856
154 2HZ LYS 17 2HZ LYS 17 11.516 -1.534 -2.344
155 3HZ LYS 17 3HZ LYS 17 12.271 -1.983 -0.890
156 H PHE 18 H PHE 18 4.138 -1.679 -2.718
157 HA PHE 18 HA PHE 18 2.372 -3.873 -2.087
158 1HB PHE 18 2HB PHE 18 2.142 -1.709 -0.967
159 2HB PHE 18 1HB PHE 18 1.797 -0.924 -2.508
160 HD1 PHE 18 1HD PHE 18 -0.312 -1.399 -3.723
161 HD2 PHE 18 2HD PHE 18 0.476 -3.038 0.170
162 HE1 PHE 18 1HE PHE 18 -2.714 -1.964 -3.474
163 HE2 PHE 18 2HE PHE 18 -1.926 -3.603 0.418
164 HZ PHE 18 HZ PHE 18 -3.521 -3.065 -1.403
165 H LEU 19 H LEU 19 2.850 -1.834 -4.926
166 HA LEU 19 HA LEU 19 0.440 -2.665 -6.284
167 1HB LEU 19 2HB LEU 19 2.956 -1.242 -7.041
168 2HB LEU 19 1HB LEU 19 1.986 -1.939 -8.338
169 HG LEU 19 HG LEU 19 1.003 0.004 -6.227
170 1HD1 LEU 19 1HD1 LEU 19 2.027 1.425 -7.706
171 2HD1 LEU 19 2HD1 LEU 19 0.533 1.184 -8.611
172 3HD1 LEU 19 3HD1 LEU 19 1.975 0.256 -9.026
173 1HD2 LEU 19 1HD2 LEU 19 -0.400 -1.931 -7.793
174 2HD2 LEU 19 2HD2 LEU 19 -0.780 -0.336 -8.443
175 3HD2 LEU 19 3HD2 LEU 19 -1.078 -0.688 -6.740
176 H ALA 20 H ALA 20 3.842 -3.759 -6.466
177 HA ALA 20 HA ALA 20 3.303 -5.777 -8.454
178 1HB ALA 20 1HB ALA 20 5.515 -6.703 -7.762
179 2HB ALA 20 2HB ALA 20 5.549 -5.554 -6.425
180 3HB ALA 20 3HB ALA 20 5.583 -4.971 -8.090
181 H ALA 21 H ALA 21 3.123 -5.704 -4.941
182 HA ALA 21 HA ALA 21 2.914 -8.576 -4.626
183 1HB ALA 21 1HB ALA 21 3.496 -7.429 -2.650
184 2HB ALA 21 2HB ALA 21 1.801 -7.842 -2.392
185 3HB ALA 21 3HB ALA 21 2.246 -6.207 -2.883
186 H VAL 22 H VAL 22 0.558 -5.941 -5.001
187 HA VAL 22 HA VAL 22 -1.796 -7.531 -4.626
188 HB VAL 22 HB VAL 22 -1.507 -5.134 -6.456
189 1HG1 VAL 22 1HG1 VAL 22 -3.887 -5.679 -4.742
190 2HG1 VAL 22 2HG1 VAL 22 -3.654 -6.705 -6.158
191 3HG1 VAL 22 3HG1 VAL 22 -3.799 -4.958 -6.349
192 1HG2 VAL 22 1HG2 VAL 22 -2.479 -4.628 -3.752
193 2HG2 VAL 22 2HG2 VAL 22 -1.232 -3.785 -4.670
194 3HG2 VAL 22 3HG2 VAL 22 -0.826 -5.241 -3.760
195 H ASP 23 H ASP 23 -0.036 -6.571 -7.559
196 HA ASP 23 HA ASP 23 -1.683 -7.920 -9.440
197 1HB ASP 23 2HB ASP 23 0.285 -6.281 -9.813
198 2HB ASP 23 1HB ASP 23 1.310 -7.704 -9.705
199 H HIS 24 H HIS 24 1.177 -9.015 -7.656
200 HA HIS 24 HA HIS 24 1.352 -11.611 -8.820
201 1HB HIS 24 2HB HIS 24 3.143 -10.607 -7.436
202 2HB HIS 24 1HB HIS 24 2.114 -10.756 -6.012
203 HD1 HIS 24 1HD HIS 24 2.086 -12.990 -4.839
204 HD2 HIS 24 2HD HIS 24 3.862 -13.214 -8.603
205 HE1 HIS 24 1HE HIS 24 3.061 -15.319 -5.032
206 H LEU 25 H LEU 25 -0.853 -10.312 -6.455
207 HA LEU 25 HA LEU 25 -1.825 -13.080 -5.871
208 1HB LEU 25 2HB LEU 25 -2.588 -10.579 -4.365
209 2HB LEU 25 1HB LEU 25 -2.722 -12.255 -3.834
210 HG LEU 25 HG LEU 25 -0.005 -11.234 -4.540
211 1HD1 LEU 25 1HD1 LEU 25 0.206 -9.818 -2.775
212 2HD1 LEU 25 2HD1 LEU 25 -0.808 -10.816 -1.732
213 3HD1 LEU 25 3HD1 LEU 25 -1.550 -9.700 -2.879
214 1HD2 LEU 25 1HD2 LEU 25 -0.113 -12.653 -2.091
215 2HD2 LEU 25 2HD2 LEU 25 0.462 -13.251 -3.647
216 3HD2 LEU 25 3HD2 LEU 25 -1.225 -13.474 -3.186
217 H GLY 26 H GLY 26 -2.498 -10.490 -7.851
218 1HA GLY 26 2HA GLY 26 -4.392 -10.244 -9.265
219 2HA GLY 26 1HA GLY 26 -5.234 -11.459 -8.300
220 H VAL 27 H VAL 27 -4.936 -8.140 -8.896
221 HA VAL 27 HA VAL 27 -5.503 -6.929 -6.422
222 HB VAL 27 HB VAL 27 -5.085 -5.554 -8.358
223 1HG1 VAL 27 1HG1 VAL 27 -7.641 -6.740 -9.484
224 2HG1 VAL 27 2HG1 VAL 27 -6.008 -7.096 -10.047
225 3HG1 VAL 27 3HG1 VAL 27 -6.677 -5.476 -10.246
226 1HG2 VAL 27 1HG2 VAL 27 -6.952 -4.961 -6.537
227 2HG2 VAL 27 2HG2 VAL 27 -7.998 -5.010 -7.957
228 3HG2 VAL 27 3HG2 VAL 27 -6.633 -3.895 -7.905
229 H GLU 28 H GLU 28 -7.464 -9.042 -8.311
230 HA GLU 28 HA GLU 28 -10.050 -8.201 -7.387
231 1HB GLU 28 2HB GLU 28 -9.685 -9.718 -9.333
232 2HB GLU 28 1HB GLU 28 -9.168 -10.982 -8.215
233 1HG GLU 28 2HG GLU 28 -11.343 -11.576 -8.086
234 2HG GLU 28 1HG GLU 28 -11.580 -10.106 -7.140
235 H ARG 29 H ARG 29 -7.755 -10.652 -6.159
236 HA ARG 29 HA ARG 29 -9.409 -10.750 -3.664
237 1HB ARG 29 2HB ARG 29 -7.925 -12.845 -5.191
238 2HB ARG 29 1HB ARG 29 -7.982 -12.992 -3.434
239 1HG ARG 29 2HG ARG 29 -10.391 -12.976 -3.435
240 2HG ARG 29 1HG ARG 29 -10.440 -12.568 -5.150
241 1HD ARG 29 2HD ARG 29 -9.769 -14.704 -5.816
242 2HD ARG 29 1HD ARG 29 -9.025 -15.064 -4.258
243 HE ARG 29 HE ARG 29 -11.985 -14.779 -4.409
244 1HH1 ARG 29 1HH1 ARG 29 -9.454 -17.007 -4.722
245 2HH1 ARG 29 2HH1 ARG 29 -10.128 -18.170 -3.630
246 1HH2 ARG 29 1HH2 ARG 29 -12.731 -16.112 -2.627
247 2HH2 ARG 29 2HH2 ARG 29 -11.985 -17.664 -2.445
248 H ALA 30 H ALA 30 -6.859 -9.143 -4.666
249 HA ALA 30 HA ALA 30 -4.869 -9.939 -2.672
250 1HB ALA 30 1HB ALA 30 -5.077 -7.681 -4.660
251 2HB ALA 30 2HB ALA 30 -3.921 -9.012 -4.627
252 3HB ALA 30 3HB ALA 30 -3.802 -7.712 -3.442
253 H VAL 31 H VAL 31 -5.364 -9.530 -0.563
254 HA VAL 31 HA VAL 31 -6.795 -7.006 0.104
255 HB VAL 31 HB VAL 31 -6.817 -8.131 2.440
256 1HG1 VAL 31 1HG1 VAL 31 -8.631 -9.798 1.559
257 2HG1 VAL 31 2HG1 VAL 31 -8.299 -9.062 -0.009
258 3HG1 VAL 31 3HG1 VAL 31 -8.881 -8.068 1.328
259 1HG2 VAL 31 1HG2 VAL 31 -5.071 -9.867 1.251
260 2HG2 VAL 31 2HG2 VAL 31 -6.593 -10.739 1.063
261 3HG2 VAL 31 3HG2 VAL 31 -6.040 -10.263 2.670
262 HA PRO 32 HA PRO 32 -3.156 -5.201 1.754
263 1HB PRO 32 2HB PRO 32 -4.219 -3.740 3.829
264 2HB PRO 32 1HB PRO 32 -4.386 -3.284 2.124
265 1HG PRO 32 2HG PRO 32 -6.416 -4.481 3.957
266 2HG PRO 32 1HG PRO 32 -6.656 -3.439 2.544
267 1HD PRO 32 2HD PRO 32 -7.021 -6.237 2.596
268 2HD PRO 32 1HD PRO 32 -6.878 -5.238 1.133
269 H LYS 33 H LYS 33 -5.253 -6.996 3.927
270 HA LYS 33 HA LYS 33 -3.453 -7.079 6.171
271 1HB LYS 33 2HB LYS 33 -5.751 -7.625 6.561
272 2HB LYS 33 1HB LYS 33 -5.748 -8.841 5.286
273 1HG LYS 33 2HG LYS 33 -3.752 -9.199 7.462
274 2HG LYS 33 1HG LYS 33 -5.442 -9.484 7.883
275 1HD LYS 33 2HD LYS 33 -5.446 -10.854 5.619
276 2HD LYS 33 1HD LYS 33 -3.708 -10.938 5.916
277 1HE LYS 33 2HE LYS 33 -3.995 -12.486 7.528
278 2HE LYS 33 1HE LYS 33 -5.183 -11.476 8.353
279 1HZ LYS 33 1HZ LYS 33 -5.907 -12.955 5.909
280 2HZ LYS 33 2HZ LYS 33 -6.917 -12.378 7.148
281 3HZ LYS 33 3HZ LYS 33 -5.923 -13.729 7.417
282 H LYS 34 H LYS 34 -4.100 -9.382 3.509
283 HA LYS 34 HA LYS 34 -2.022 -11.211 4.345
284 1HB LYS 34 2HB LYS 34 -3.569 -10.845 1.774
285 2HB LYS 34 1HB LYS 34 -2.284 -12.046 1.919
286 1HG LYS 34 2HG LYS 34 -4.127 -12.118 4.185
287 2HG LYS 34 1HG LYS 34 -4.941 -12.419 2.650
288 1HD LYS 34 2HD LYS 34 -2.342 -13.800 3.032
289 2HD LYS 34 1HD LYS 34 -3.671 -14.360 4.047
290 1HE LYS 34 2HE LYS 34 -3.949 -14.002 1.057
291 2HE LYS 34 1HE LYS 34 -3.441 -15.523 1.788
292 1HZ LYS 34 1HZ LYS 34 -5.586 -15.965 2.044
293 2HZ LYS 34 2HZ LYS 34 -6.046 -14.387 1.613
294 3HZ LYS 34 3HZ LYS 34 -5.641 -14.748 3.223
295 H ILE 35 H ILE 35 -2.170 -8.585 1.927
296 HA ILE 35 HA ILE 35 0.519 -9.009 1.007
297 HB ILE 35 HB ILE 35 -1.278 -6.576 0.929
298 1HG1 ILE 35 2HG1 ILE 35 -0.721 -8.943 -0.805
299 2HG1 ILE 35 1HG1 ILE 35 -2.235 -8.087 -0.536
300 1HG2 ILE 35 1HG2 ILE 35 1.060 -6.814 -0.903
301 2HG2 ILE 35 2HG2 ILE 35 1.419 -6.379 0.766
302 3HG2 ILE 35 3HG2 ILE 35 0.334 -5.375 -0.191
303 1HD1 ILE 35 1HD1 ILE 35 -1.432 -6.222 -1.940
304 2HD1 ILE 35 2HD1 ILE 35 -1.412 -7.741 -2.834
305 3HD1 ILE 35 3HD1 ILE 35 0.091 -7.074 -2.200
306 H LEU 36 H LEU 36 -0.846 -7.487 3.807
307 HA LEU 36 HA LEU 36 1.286 -5.749 4.526
308 1HB LEU 36 2HB LEU 36 -0.758 -5.744 5.839
309 2HB LEU 36 1HB LEU 36 -0.546 -7.445 6.255
310 HG LEU 36 HG LEU 36 1.743 -6.654 7.250
311 1HD1 LEU 36 1HD1 LEU 36 1.895 -4.412 6.550
312 2HD1 LEU 36 2HD1 LEU 36 1.342 -4.270 8.218
313 3HD1 LEU 36 3HD1 LEU 36 0.194 -4.094 6.892
314 1HD2 LEU 36 1HD2 LEU 36 -0.036 -5.588 9.168
315 2HD2 LEU 36 2HD2 LEU 36 0.564 -7.244 9.077
316 3HD2 LEU 36 3HD2 LEU 36 -0.953 -6.810 8.287
317 H ASP 37 H ASP 37 0.933 -9.234 4.629
318 HA ASP 37 HA ASP 37 3.361 -9.675 6.191
319 1HB ASP 37 2HB ASP 37 1.416 -11.388 4.683
320 2HB ASP 37 1HB ASP 37 3.011 -12.051 5.045
321 H LEU 38 H LEU 38 2.469 -9.409 2.805
322 HA LEU 38 HA LEU 38 4.810 -10.451 1.589
323 1HB LEU 38 2HB LEU 38 2.952 -8.208 0.754
324 2HB LEU 38 1HB LEU 38 4.253 -8.807 -0.272
325 HG LEU 38 HG LEU 38 2.185 -10.669 0.896
326 1HD1 LEU 38 1HD1 LEU 38 1.382 -8.639 -0.652
327 2HD1 LEU 38 2HD1 LEU 38 0.707 -10.257 -0.827
328 3HD1 LEU 38 3HD1 LEU 38 1.973 -9.708 -1.925
329 1HD2 LEU 38 1HD2 LEU 38 4.205 -11.700 -0.006
330 2HD2 LEU 38 2HD2 LEU 38 4.049 -10.767 -1.494
331 3HD2 LEU 38 3HD2 LEU 38 2.860 -12.009 -1.104
332 H MET 39 H MET 39 4.121 -7.254 2.968
333 HA MET 39 HA MET 39 6.760 -6.231 2.172
334 1HB MET 39 2HB MET 39 4.606 -5.050 3.953
335 2HB MET 39 1HB MET 39 6.056 -4.200 3.420
336 1HG MET 39 2HG MET 39 4.567 -5.457 1.222
337 2HG MET 39 1HG MET 39 3.649 -4.215 2.073
338 1HE MET 39 1HE MET 39 4.146 -1.975 2.386
339 2HE MET 39 2HE MET 39 3.615 -1.985 0.706
340 3HE MET 39 3HE MET 39 4.988 -0.990 1.182
341 H ASN 40 H ASN 40 5.126 -7.051 5.247
342 HA ASN 40 HA ASN 40 6.043 -7.438 7.380
343 1HB ASN 40 2HB ASN 40 6.908 -9.382 5.902
344 2HB ASN 40 1HB ASN 40 8.445 -8.517 5.903
345 1HD2 ASN 40 1HD2 ASN 40 6.253 -10.428 7.874
346 2HD2 ASN 40 2HD2 ASN 40 7.244 -10.495 9.249
347 H VAL 41 H VAL 41 6.732 -4.925 5.879
348 HA VAL 41 HA VAL 41 9.466 -4.265 6.659
349 HB VAL 41 HB VAL 41 7.261 -2.338 5.896
350 1HG1 VAL 41 1HG1 VAL 41 10.248 -2.276 6.089
351 2HG1 VAL 41 2HG1 VAL 41 9.071 -1.042 6.536
352 3HG1 VAL 41 3HG1 VAL 41 9.468 -1.308 4.839
353 1HG2 VAL 41 1HG2 VAL 41 7.719 -4.393 4.321
354 2HG2 VAL 41 2HG2 VAL 41 9.205 -3.527 3.931
355 3HG2 VAL 41 3HG2 VAL 41 7.639 -2.773 3.626
356 H ASP 42 H ASP 42 9.966 -2.527 8.217
357 HA ASP 42 HA ASP 42 8.304 -2.785 10.636
358 1HB ASP 42 2HB ASP 42 10.116 -1.691 11.783
359 2HB ASP 42 1HB ASP 42 10.840 -2.850 10.666
360 H LYS 43 H LYS 43 7.273 -1.015 11.659
361 HA LYS 43 HA LYS 43 6.349 1.150 11.837
362 1HB LYS 43 2HB LYS 43 8.667 1.672 10.495
363 2HB LYS 43 1HB LYS 43 7.470 2.159 9.294
364 1HG LYS 43 2HG LYS 43 7.248 4.096 10.426
365 2HG LYS 43 1HG LYS 43 6.501 3.167 11.727
366 1HD LYS 43 2HD LYS 43 8.358 4.435 12.650
367 2HD LYS 43 1HD LYS 43 8.789 2.725 12.651
368 1HE LYS 43 2HE LYS 43 10.689 3.447 11.622
369 2HE LYS 43 1HE LYS 43 9.674 3.472 10.180
370 1HZ LYS 43 1HZ LYS 43 10.513 5.707 11.898
371 2HZ LYS 43 2HZ LYS 43 9.064 5.824 11.019
372 3HZ LYS 43 3HZ LYS 43 10.537 5.587 10.206
373 H LEU 44 H LEU 44 6.009 -1.044 9.315
374 HA LEU 44 HA LEU 44 3.769 0.487 8.083
375 1HB LEU 44 2HB LEU 44 5.504 -1.785 7.188
376 2HB LEU 44 1HB LEU 44 3.870 -1.675 6.536
377 HG LEU 44 HG LEU 44 5.728 0.704 6.553
378 1HD1 LEU 44 1HD1 LEU 44 7.021 -0.512 5.120
379 2HD1 LEU 44 2HD1 LEU 44 5.740 -0.154 3.962
380 3HD1 LEU 44 3HD1 LEU 44 5.748 -1.695 4.820
381 1HD2 LEU 44 1HD2 LEU 44 4.128 0.974 4.404
382 2HD2 LEU 44 2HD2 LEU 44 3.646 1.526 6.008
383 3HD2 LEU 44 3HD2 LEU 44 3.076 -0.029 5.403
384 H THR 45 H THR 45 1.994 0.167 9.403
385 HA THR 45 HA THR 45 1.473 -2.536 10.489
386 HB THR 45 HB THR 45 -0.507 -1.353 11.560
387 HG1 THR 45 1HG THR 45 -0.777 0.375 10.241
388 1HG2 THR 45 1HG2 THR 45 1.369 0.306 12.748
389 2HG2 THR 45 2HG2 THR 45 2.353 -0.985 12.058
390 3HG2 THR 45 3HG2 THR 45 1.057 -1.373 13.191
391 H ARG 46 H ARG 46 -0.882 -3.307 10.278
392 HA ARG 46 HA ARG 46 -1.520 -3.553 7.473
393 1HB ARG 46 2HB ARG 46 -3.436 -4.865 8.236
394 2HB ARG 46 1HB ARG 46 -2.009 -5.317 9.169
395 1HG ARG 46 2HG ARG 46 -2.743 -3.657 10.929
396 2HG ARG 46 1HG ARG 46 -4.252 -3.474 10.033
397 1HD ARG 46 2HD ARG 46 -3.218 -6.159 10.969
398 2HD ARG 46 1HD ARG 46 -4.317 -5.168 11.930
399 HE ARG 46 HE ARG 46 -5.651 -5.311 9.559
400 1HH1 ARG 46 1HH1 ARG 46 -4.455 -7.505 11.904
401 2HH1 ARG 46 2HH1 ARG 46 -5.301 -8.874 11.262
402 1HH2 ARG 46 1HH2 ARG 46 -6.582 -7.143 8.545
403 2HH2 ARG 46 2HH2 ARG 46 -6.507 -8.669 9.361
404 H GLU 47 H GLU 47 -2.381 -1.267 9.906
405 HA GLU 47 HA GLU 47 -4.899 -0.445 8.694
406 1HB GLU 47 2HB GLU 47 -3.088 0.908 10.714
407 2HB GLU 47 1HB GLU 47 -4.671 1.520 10.235
408 1HG GLU 47 2HG GLU 47 -4.547 -1.333 11.070
409 2HG GLU 47 1HG GLU 47 -4.337 -0.128 12.342
410 H ASN 48 H ASN 48 -1.532 0.315 8.209
411 HA ASN 48 HA ASN 48 -2.071 2.817 6.789
412 1HB ASN 48 2HB ASN 48 0.340 1.169 7.418
413 2HB ASN 48 1HB ASN 48 0.435 2.266 6.039
414 1HD2 ASN 48 1HD2 ASN 48 -0.203 2.171 9.559
415 2HD2 ASN 48 2HD2 ASN 48 0.137 3.813 9.826
416 H VAL 49 H VAL 49 -1.552 -0.574 5.953
417 HA VAL 49 HA VAL 49 -1.472 0.012 3.077
418 HB VAL 49 HB VAL 49 -1.878 -2.703 4.344
419 1HG1 VAL 49 1HG1 VAL 49 -2.037 -2.236 1.809
420 2HG1 VAL 49 2HG1 VAL 49 -0.956 -3.532 2.323
421 3HG1 VAL 49 3HG1 VAL 49 -0.297 -1.957 1.881
422 1HG2 VAL 49 1HG2 VAL 49 0.099 -1.243 5.273
423 2HG2 VAL 49 2HG2 VAL 49 0.840 -1.580 3.709
424 3HG2 VAL 49 3HG2 VAL 49 0.413 -2.909 4.787
425 H ALA 50 H ALA 50 -3.795 -0.970 5.507
426 HA ALA 50 HA ALA 50 -5.855 -1.663 3.558
427 1HB ALA 50 1HB ALA 50 -5.742 -1.381 6.549
428 2HB ALA 50 2HB ALA 50 -6.171 -2.793 5.583
429 3HB ALA 50 3HB ALA 50 -7.308 -1.454 5.739
430 H SER 51 H SER 51 -4.724 1.202 5.146
431 HA SER 51 HA SER 51 -7.181 2.728 4.707
432 1HB SER 51 2HB SER 51 -4.446 3.302 5.766
433 2HB SER 51 1HB SER 51 -5.388 4.656 5.151
434 HG SER 51 HG SER 51 -5.591 3.786 7.494
435 H HIS 52 H HIS 52 -3.982 2.466 3.159
436 HA HIS 52 HA HIS 52 -4.531 4.471 1.152
437 1HB HIS 52 2HB HIS 52 -2.229 3.768 1.728
438 2HB HIS 52 1HB HIS 52 -2.566 2.159 1.085
439 HD1 HIS 52 1HD HIS 52 -2.678 1.888 -1.476
440 HD2 HIS 52 2HD HIS 52 -2.000 5.819 -0.265
441 HE1 HIS 52 1HE HIS 52 -2.040 3.179 -3.560
442 H LEU 53 H LEU 53 -5.137 1.018 1.410
443 HA LEU 53 HA LEU 53 -5.826 0.706 -1.407
444 1HB LEU 53 2HB LEU 53 -5.024 -1.215 -0.113
445 2HB LEU 53 1HB LEU 53 -6.386 -1.057 0.998
446 HG LEU 53 HG LEU 53 -7.821 -1.231 -1.206
447 1HD1 LEU 53 1HD1 LEU 53 -6.793 -1.994 -3.083
448 2HD1 LEU 53 2HD1 LEU 53 -5.756 -3.094 -2.176
449 3HD1 LEU 53 3HD1 LEU 53 -5.317 -1.393 -2.327
450 1HD2 LEU 53 1HD2 LEU 53 -6.412 -3.702 -0.162
451 2HD2 LEU 53 2HD2 LEU 53 -8.046 -3.597 -0.818
452 3HD2 LEU 53 3HD2 LEU 53 -7.672 -2.859 0.740
453 H GLN 54 H GLN 54 -7.570 1.324 1.607
454 HA GLN 54 HA GLN 54 -10.203 1.021 0.420
455 1HB GLN 54 2HB GLN 54 -9.118 2.068 3.012
456 2HB GLN 54 1HB GLN 54 -10.777 2.464 2.565
457 1HG GLN 54 2HG GLN 54 -10.846 -0.154 2.014
458 2HG GLN 54 1HG GLN 54 -9.576 -0.184 3.238
459 1HE2 GLN 54 1HE2 GLN 54 -12.917 -0.331 2.875
460 2HE2 GLN 54 2HE2 GLN 54 -13.371 0.146 4.439
461 H LYS 55 H LYS 55 -7.918 3.665 0.817
462 HA LYS 55 HA LYS 55 -9.817 5.752 0.138
463 1HB LYS 55 2HB LYS 55 -6.849 5.563 0.468
464 2HB LYS 55 1HB LYS 55 -7.502 6.942 -0.417
465 1HG LYS 55 2HG LYS 55 -8.986 6.360 2.044
466 2HG LYS 55 1HG LYS 55 -7.294 6.766 2.337
467 1HD LYS 55 2HD LYS 55 -7.496 8.878 1.304
468 2HD LYS 55 1HD LYS 55 -8.990 8.429 0.479
469 1HE LYS 55 2HE LYS 55 -9.582 8.064 3.178
470 2HE LYS 55 1HE LYS 55 -8.619 9.541 3.151
471 1HZ LYS 55 1HZ LYS 55 -10.721 9.214 1.140
472 2HZ LYS 55 2HZ LYS 55 -10.141 10.628 1.881
473 3HZ LYS 55 3HZ LYS 55 -11.188 9.590 2.726
474 H PHE 56 H PHE 56 -7.710 3.605 -1.675
475 HA PHE 56 HA PHE 56 -7.913 5.100 -4.162
476 1HB PHE 56 2HB PHE 56 -6.103 3.382 -3.520
477 2HB PHE 56 1HB PHE 56 -7.298 2.149 -3.921
478 HD1 PHE 56 1HD PHE 56 -6.720 1.212 -5.990
479 HD2 PHE 56 2HD PHE 56 -6.523 5.472 -5.471
480 HE1 PHE 56 1HE PHE 56 -6.186 1.481 -8.397
481 HE2 PHE 56 2HE PHE 56 -5.989 5.740 -7.877
482 HZ PHE 56 HZ PHE 56 -5.821 3.745 -9.341
483 H ARG 57 H ARG 57 -9.561 2.223 -2.818
484 HA ARG 57 HA ARG 57 -11.217 1.702 -5.082
485 1HB ARG 57 2HB ARG 57 -11.768 1.303 -2.119
486 2HB ARG 57 1HB ARG 57 -12.774 0.650 -3.412
487 1HG ARG 57 2HG ARG 57 -10.328 -0.204 -4.230
488 2HG ARG 57 1HG ARG 57 -10.098 -0.217 -2.481
489 1HD ARG 57 2HD ARG 57 -10.972 -2.360 -2.927
490 2HD ARG 57 1HD ARG 57 -12.383 -1.443 -2.402
491 HE ARG 57 HE ARG 57 -13.079 -1.294 -4.752
492 1HH1 ARG 57 1HH2 ARG 57 -11.878 -4.168 -3.835
493 2HH1 ARG 57 2HH2 ARG 57 -11.311 -4.687 -5.388
494 1HH2 ARG 57 1HH1 ARG 57 -11.695 -1.570 -6.862
495 2HH2 ARG 57 2HH1 ARG 57 -11.208 -3.215 -7.101
496 H VAL 58 H VAL 58 -11.647 3.859 -2.285
497 HA VAL 58 HA VAL 58 -14.259 4.801 -3.035
498 HB VAL 58 HB VAL 58 -12.040 6.031 -1.374
499 1HG1 VAL 58 1HG1 VAL 58 -14.205 7.425 -0.618
500 2HG1 VAL 58 2HG1 VAL 58 -14.652 7.136 -2.300
501 3HG1 VAL 58 3HG1 VAL 58 -13.148 7.975 -1.918
502 1HG2 VAL 58 1HG2 VAL 58 -14.603 5.413 -0.113
503 2HG2 VAL 58 2HG2 VAL 58 -12.978 4.910 0.353
504 3HG2 VAL 58 3HG2 VAL 58 -13.871 3.989 -0.857
505 H ALA 59 H ALA 59 -10.963 5.801 -3.816
506 HA ALA 59 HA ALA 59 -11.784 8.126 -5.359
507 1HB ALA 59 1HB ALA 59 -9.251 6.726 -4.726
508 2HB ALA 59 2HB ALA 59 -9.591 8.455 -4.797
509 3HB ALA 59 3HB ALA 59 -9.288 7.553 -6.282
510 H LEU 60 H LEU 60 -11.826 4.780 -5.876
511 HA LEU 60 HA LEU 60 -11.507 4.949 -8.803
512 1HB LEU 60 2HB LEU 60 -11.743 2.774 -6.771
513 2HB LEU 60 1HB LEU 60 -12.270 2.411 -8.413
514 HG LEU 60 HG LEU 60 -9.596 3.692 -7.834
515 1HD1 LEU 60 1HD1 LEU 60 -9.614 0.837 -8.538
516 2HD1 LEU 60 2HD1 LEU 60 -10.300 1.175 -6.949
517 3HD1 LEU 60 3HD1 LEU 60 -8.656 1.689 -7.327
518 1HD2 LEU 60 1HD2 LEU 60 -10.099 3.934 -10.114
519 2HD2 LEU 60 2HD2 LEU 60 -10.956 2.394 -10.187
520 3HD2 LEU 60 3HD2 LEU 60 -9.195 2.420 -10.091
521 H LYS 61 H LYS 61 -14.013 5.111 -6.451
522 HA LYS 61 HA LYS 61 -16.074 4.470 -8.509
523 1HB LYS 61 2HB LYS 61 -17.653 4.400 -6.607
524 2HB LYS 61 1HB LYS 61 -16.301 3.295 -6.355
525 1HG LYS 61 2HG LYS 61 -15.303 4.673 -4.745
526 2HG LYS 61 1HG LYS 61 -16.158 6.111 -5.307
527 1HD LYS 61 2HD LYS 61 -17.161 5.396 -3.214
528 2HD LYS 61 1HD LYS 61 -18.302 5.072 -4.519
529 1HE LYS 61 2HE LYS 61 -17.593 2.726 -4.590
530 2HE LYS 61 1HE LYS 61 -16.397 3.034 -3.329
531 1HZ LYS 61 1HZ LYS 61 -18.524 3.945 -2.103
532 2HZ LYS 61 2HZ LYS 61 -18.106 2.299 -2.059
533 3HZ LYS 61 3HZ LYS 61 -19.307 2.845 -3.130
534 H LYS 62 H LYS 62 -14.372 7.064 -7.829
535 HA LYS 62 HA LYS 62 -16.647 8.887 -8.363
536 1HB LYS 62 2HB LYS 62 -14.823 9.007 -5.977
537 2HB LYS 62 1HB LYS 62 -15.471 10.500 -6.658
538 1HG LYS 62 2HG LYS 62 -17.687 8.830 -6.566
539 2HG LYS 62 1HG LYS 62 -16.823 8.439 -5.078
540 1HD LYS 62 2HD LYS 62 -17.686 10.312 -4.174
541 2HD LYS 62 1HD LYS 62 -16.689 11.239 -5.296
542 1HE LYS 62 2HE LYS 62 -18.465 11.219 -6.963
543 2HE LYS 62 1HE LYS 62 -19.451 10.169 -5.945
544 1HZ LYS 62 1HZ LYS 62 -18.524 12.874 -5.148
545 2HZ LYS 62 2HZ LYS 62 -19.615 11.878 -4.307
546 3HZ LYS 62 3HZ LYS 62 -20.053 12.549 -5.806
547 H VAL 63 H VAL 63 -14.320 7.820 -9.887
548 HA VAL 63 HA VAL 63 -12.933 10.415 -10.432
549 HB VAL 63 HB VAL 63 -11.327 8.780 -9.651
550 1HG1 VAL 63 1HG1 VAL 63 -11.833 6.599 -9.908
551 2HG1 VAL 63 2HG1 VAL 63 -11.373 6.754 -11.603
552 3HG1 VAL 63 3HG1 VAL 63 -13.056 6.977 -11.122
553 1HG2 VAL 63 1HG2 VAL 63 -11.329 9.848 -12.331
554 2HG2 VAL 63 2HG2 VAL 63 -10.490 8.298 -12.317
555 3HG2 VAL 63 3HG2 VAL 63 -9.960 9.596 -11.247
556 H SER 64 H SER 64 -15.176 10.478 -11.700
557 HA SER 64 HA SER 64 -14.761 9.222 -14.381
558 1HB SER 64 2HB SER 64 -16.878 8.601 -13.266
559 2HB SER 64 1HB SER 64 -17.302 10.304 -13.121
560 HG SER 64 HG SER 64 -18.132 10.032 -15.032
Start of MODEL 11
1 1H THR 1 1HT THR 1 18.969 5.313 -10.604
2 2H THR 1 2HT THR 1 18.835 4.337 -9.220
3 3H THR 1 3HT THR 1 20.367 4.737 -9.835
4 HA THR 1 HA THR 1 19.839 7.121 -9.383
5 HB THR 1 HB THR 1 17.945 6.648 -7.308
6 HG1 THR 1 1HG THR 1 16.887 5.910 -9.804
7 1HG2 THR 1 1HG2 THR 1 18.425 8.408 -9.527
8 2HG2 THR 1 2HG2 THR 1 17.443 8.692 -8.090
9 3HG2 THR 1 3HG2 THR 1 16.723 7.944 -9.516
10 H ALA 2 H ALA 2 21.153 7.809 -7.717
11 HA ALA 2 HA ALA 2 22.785 6.099 -6.273
12 1HB ALA 2 1HB ALA 2 23.106 8.555 -6.385
13 2HB ALA 2 2HB ALA 2 23.203 7.963 -4.726
14 3HB ALA 2 3HB ALA 2 21.740 8.772 -5.290
15 H GLN 3 H GLN 3 22.445 4.678 -4.631
16 HA GLN 3 HA GLN 3 19.788 4.449 -3.442
17 1HB GLN 3 2HB GLN 3 22.079 2.770 -3.765
18 2HB GLN 3 1HB GLN 3 21.708 2.856 -2.043
19 1HG GLN 3 2HG GLN 3 20.473 1.019 -3.187
20 2HG GLN 3 1HG GLN 3 19.390 2.214 -2.472
21 1HE2 GLN 3 1HE2 GLN 3 17.950 1.098 -4.282
22 2HE2 GLN 3 2HE2 GLN 3 17.969 1.859 -5.800
23 H LYS 4 H LYS 4 19.587 6.457 -2.278
24 HA LYS 4 HA LYS 4 20.807 6.349 0.392
25 1HB LYS 4 2HB LYS 4 21.412 8.544 -1.592
26 2HB LYS 4 1HB LYS 4 21.510 8.819 0.147
27 1HG LYS 4 2HG LYS 4 22.954 6.618 0.123
28 2HG LYS 4 1HG LYS 4 23.181 7.022 -1.580
29 1HD LYS 4 2HD LYS 4 23.693 9.433 -0.576
30 2HD LYS 4 1HD LYS 4 24.106 8.489 0.855
31 1HE LYS 4 2HE LYS 4 25.755 7.229 -0.341
32 2HE LYS 4 1HE LYS 4 25.201 7.855 -1.893
33 1HZ LYS 4 1HZ LYS 4 25.887 9.947 -0.080
34 2HZ LYS 4 2HZ LYS 4 26.443 9.662 -1.660
35 3HZ LYS 4 3HZ LYS 4 27.196 8.900 -0.342
36 H LYS 5 H LYS 5 18.325 5.941 0.401
37 HA LYS 5 HA LYS 5 16.866 8.546 0.468
38 1HB LYS 5 2HB LYS 5 15.734 7.039 -0.989
39 2HB LYS 5 1HB LYS 5 15.929 5.691 0.131
40 1HG LYS 5 2HG LYS 5 14.263 6.463 1.566
41 2HG LYS 5 1HG LYS 5 14.433 8.134 1.028
42 1HD LYS 5 2HD LYS 5 13.266 5.862 -0.607
43 2HD LYS 5 1HD LYS 5 12.344 7.150 0.168
44 1HE LYS 5 2HE LYS 5 12.643 8.418 -1.667
45 2HE LYS 5 1HE LYS 5 14.377 8.420 -1.343
46 1HZ LYS 5 1HZ LYS 5 13.189 7.331 -3.516
47 2HZ LYS 5 2HZ LYS 5 13.435 5.975 -2.521
48 3HZ LYS 5 3HZ LYS 5 14.748 6.958 -2.964
49 HA PRO 6 HA PRO 6 17.242 7.705 4.891
50 1HB PRO 6 2HB PRO 6 16.844 10.325 5.622
51 2HB PRO 6 1HB PRO 6 18.416 9.675 5.128
52 1HG PRO 6 2HG PRO 6 16.552 11.436 3.605
53 2HG PRO 6 1HG PRO 6 18.311 11.276 3.466
54 1HD PRO 6 2HD PRO 6 16.401 10.133 1.718
55 2HD PRO 6 1HD PRO 6 18.126 9.714 1.798
56 H ARG 7 H ARG 7 15.495 6.995 6.052
57 HA ARG 7 HA ARG 7 13.313 6.839 6.892
58 1HB ARG 7 2HB ARG 7 13.066 9.682 5.860
59 2HB ARG 7 1HB ARG 7 11.972 8.892 6.995
60 1HG ARG 7 2HG ARG 7 13.484 8.978 8.738
61 2HG ARG 7 1HG ARG 7 14.883 8.923 7.664
62 1HD ARG 7 2HD ARG 7 14.598 11.223 7.035
63 2HD ARG 7 1HD ARG 7 13.023 11.306 7.826
64 HE ARG 7 HE ARG 7 14.136 11.643 9.879
65 1HH1 ARG 7 1HH2 ARG 7 16.400 12.893 8.442
66 2HH1 ARG 7 2HH2 ARG 7 17.757 11.959 8.976
67 1HH2 ARG 7 1HH1 ARG 7 15.825 9.336 10.161
68 2HH2 ARG 7 2HH1 ARG 7 17.432 9.946 9.949
69 H VAL 8 H VAL 8 11.683 5.727 5.955
70 HA VAL 8 HA VAL 8 10.739 6.552 3.257
71 HB VAL 8 HB VAL 8 11.996 3.954 4.032
72 1HG1 VAL 8 1HG1 VAL 8 9.560 4.201 2.259
73 2HG1 VAL 8 2HG1 VAL 8 9.825 3.071 3.587
74 3HG1 VAL 8 3HG1 VAL 8 10.719 2.885 2.078
75 1HG2 VAL 8 1HG2 VAL 8 12.177 5.984 1.970
76 2HG2 VAL 8 2HG2 VAL 8 12.006 4.378 1.260
77 3HG2 VAL 8 3HG2 VAL 8 13.326 4.711 2.382
78 H LEU 9 H LEU 9 8.748 7.260 4.055
79 HA LEU 9 HA LEU 9 7.142 5.288 5.616
80 1HB LEU 9 2HB LEU 9 7.533 7.691 6.464
81 2HB LEU 9 1HB LEU 9 6.449 8.193 5.168
82 HG LEU 9 HG LEU 9 4.895 6.294 6.151
83 1HD1 LEU 9 1HD1 LEU 9 6.237 7.159 8.699
84 2HD1 LEU 9 2HD1 LEU 9 6.862 5.773 7.806
85 3HD1 LEU 9 3HD1 LEU 9 5.204 5.760 8.407
86 1HD2 LEU 9 1HD2 LEU 9 5.266 9.138 6.742
87 2HD2 LEU 9 2HD2 LEU 9 4.440 8.280 8.043
88 3HD2 LEU 9 3HD2 LEU 9 3.780 8.249 6.408
89 H TRP 10 H TRP 10 7.238 7.232 2.688
90 HA TRP 10 HA TRP 10 5.385 5.472 1.334
91 1HB TRP 10 2HB TRP 10 4.400 8.058 2.479
92 2HB TRP 10 1HB TRP 10 3.813 7.575 0.887
93 HD1 TRP 10 HD TRP 10 2.770 7.328 4.274
94 HE1 TRP 10 1HE TRP 10 1.301 5.255 4.713
95 HE3 TRP 10 3HE TRP 10 3.805 4.608 0.078
96 HZ2 TRP 10 2HZ TRP 10 0.651 2.772 3.451
97 HZ3 TRP 10 3HZ TRP 10 2.749 2.395 -0.277
98 HH2 TRP 10 HH TRP 10 1.175 1.474 1.403
99 H THR 11 H THR 11 7.611 5.732 0.224
100 HA THR 11 HA THR 11 7.565 8.130 -1.568
101 HB THR 11 HB THR 11 10.027 7.513 -1.932
102 HG1 THR 11 1HG THR 11 10.151 5.504 -1.108
103 1HG2 THR 11 1HG2 THR 11 9.215 8.281 0.883
104 2HG2 THR 11 2HG2 THR 11 9.210 9.388 -0.488
105 3HG2 THR 11 3HG2 THR 11 10.728 8.687 0.073
106 H HIS 12 H HIS 12 8.724 7.563 -3.753
107 HA HIS 12 HA HIS 12 7.152 5.778 -5.228
108 1HB HIS 12 2HB HIS 12 9.663 7.217 -5.640
109 2HB HIS 12 1HB HIS 12 9.620 5.686 -6.512
110 HD1 HIS 12 1HD HIS 12 6.774 8.124 -5.813
111 HD2 HIS 12 2HD HIS 12 8.790 6.432 -9.047
112 HE1 HIS 12 1HE HIS 12 5.557 8.892 -7.899
113 H GLU 13 H GLU 13 9.991 5.128 -3.266
114 HA GLU 13 HA GLU 13 10.518 2.480 -4.259
115 1HB GLU 13 2HB GLU 13 11.994 3.997 -2.765
116 2HB GLU 13 1HB GLU 13 11.030 3.382 -1.426
117 1HG GLU 13 2HG GLU 13 12.937 1.940 -1.586
118 2HG GLU 13 1HG GLU 13 11.582 1.039 -2.270
119 H LEU 14 H LEU 14 8.761 3.639 -1.373
120 HA LEU 14 HA LEU 14 7.844 1.051 -0.567
121 1HB LEU 14 2HB LEU 14 7.123 3.872 0.073
122 2HB LEU 14 1HB LEU 14 5.943 2.627 0.481
123 HG LEU 14 HG LEU 14 8.860 2.557 1.289
124 1HD1 LEU 14 1HD1 LEU 14 7.711 4.363 2.463
125 2HD1 LEU 14 2HD1 LEU 14 7.952 3.017 3.576
126 3HD1 LEU 14 3HD1 LEU 14 6.366 3.290 2.855
127 1HD2 LEU 14 1HD2 LEU 14 6.915 0.528 1.118
128 2HD2 LEU 14 2HD2 LEU 14 7.004 0.945 2.828
129 3HD2 LEU 14 3HD2 LEU 14 8.458 0.442 1.967
130 H HIS 15 H HIS 15 6.806 3.185 -3.082
131 HA HIS 15 HA HIS 15 4.100 2.092 -3.262
132 1HB HIS 15 2HB HIS 15 4.906 4.431 -4.014
133 2HB HIS 15 1HB HIS 15 5.528 3.607 -5.443
134 HD1 HIS 15 1HD HIS 15 2.275 2.902 -3.597
135 HD2 HIS 15 2HD HIS 15 3.579 4.235 -7.326
136 HE1 HIS 15 1HE HIS 15 0.212 3.081 -5.056
137 H ASN 16 H ASN 16 7.239 1.261 -4.506
138 HA ASN 16 HA ASN 16 6.210 -0.310 -6.743
139 1HB ASN 16 2HB ASN 16 8.898 0.157 -5.503
140 2HB ASN 16 1HB ASN 16 8.681 -1.246 -6.550
141 1HD2 ASN 16 1HD2 ASN 16 6.912 1.810 -6.991
142 2HD2 ASN 16 2HD2 ASN 16 7.652 2.222 -8.462
143 H LYS 17 H LYS 17 7.120 -0.928 -3.389
144 HA LYS 17 HA LYS 17 6.975 -3.834 -3.723
145 1HB LYS 17 2HB LYS 17 6.978 -2.184 -1.177
146 2HB LYS 17 1HB LYS 17 7.304 -3.913 -1.304
147 1HG LYS 17 2HG LYS 17 9.209 -3.313 -2.883
148 2HG LYS 17 1HG LYS 17 8.968 -1.635 -2.397
149 1HD LYS 17 2HD LYS 17 9.778 -1.986 -0.273
150 2HD LYS 17 1HD LYS 17 9.205 -3.654 -0.218
151 1HE LYS 17 2HE LYS 17 10.990 -4.172 -1.980
152 2HE LYS 17 1HE LYS 17 11.658 -2.580 -1.621
153 1HZ LYS 17 1HZ LYS 17 11.536 -3.389 0.805
154 2HZ LYS 17 2HZ LYS 17 12.800 -3.946 -0.183
155 3HZ LYS 17 3HZ LYS 17 11.458 -4.942 0.125
156 H PHE 18 H PHE 18 4.858 -1.248 -2.567
157 HA PHE 18 HA PHE 18 2.789 -3.083 -1.648
158 1HB PHE 18 2HB PHE 18 2.968 -0.852 -0.665
159 2HB PHE 18 1HB PHE 18 2.724 -0.110 -2.245
160 HD1 PHE 18 1HD PHE 18 0.643 0.964 -2.183
161 HD2 PHE 18 2HD PHE 18 1.009 -3.021 -0.622
162 HE1 PHE 18 1HE PHE 18 -1.813 0.869 -1.851
163 HE2 PHE 18 2HE PHE 18 -1.447 -3.116 -0.291
164 HZ PHE 18 HZ PHE 18 -2.858 -1.171 -0.906
165 H LEU 19 H LEU 19 3.664 -1.613 -4.681
166 HA LEU 19 HA LEU 19 1.024 -2.056 -5.881
167 1HB LEU 19 2HB LEU 19 3.663 -0.995 -6.816
168 2HB LEU 19 1HB LEU 19 2.523 -1.589 -8.024
169 HG LEU 19 HG LEU 19 1.920 0.504 -5.914
170 1HD1 LEU 19 1HD1 LEU 19 3.369 1.399 -7.652
171 2HD1 LEU 19 2HD1 LEU 19 1.732 2.002 -7.916
172 3HD1 LEU 19 3HD1 LEU 19 2.358 0.686 -8.909
173 1HD2 LEU 19 1HD2 LEU 19 0.016 0.457 -8.021
174 2HD2 LEU 19 2HD2 LEU 19 -0.243 0.023 -6.332
175 3HD2 LEU 19 3HD2 LEU 19 0.231 -1.213 -7.497
176 H ALA 20 H ALA 20 4.177 -3.667 -5.830
177 HA ALA 20 HA ALA 20 3.388 -5.644 -7.819
178 1HB ALA 20 1HB ALA 20 5.804 -4.852 -6.736
179 2HB ALA 20 2HB ALA 20 5.563 -6.290 -7.729
180 3HB ALA 20 3HB ALA 20 5.539 -6.418 -5.971
181 H ALA 21 H ALA 21 3.141 -5.324 -4.346
182 HA ALA 21 HA ALA 21 2.604 -8.146 -3.878
183 1HB ALA 21 1HB ALA 21 3.212 -7.226 -1.865
184 2HB ALA 21 2HB ALA 21 1.480 -6.918 -1.736
185 3HB ALA 21 3HB ALA 21 2.565 -5.640 -2.281
186 H VAL 22 H VAL 22 0.637 -5.222 -4.332
187 HA VAL 22 HA VAL 22 -1.902 -6.527 -3.939
188 HB VAL 22 HB VAL 22 -1.342 -4.118 -5.688
189 1HG1 VAL 22 1HG1 VAL 22 -3.622 -3.498 -5.093
190 2HG1 VAL 22 2HG1 VAL 22 -3.750 -4.890 -4.018
191 3HG1 VAL 22 3HG1 VAL 22 -3.621 -5.131 -5.760
192 1HG2 VAL 22 1HG2 VAL 22 -0.985 -2.823 -3.857
193 2HG2 VAL 22 2HG2 VAL 22 -0.543 -4.342 -3.079
194 3HG2 VAL 22 3HG2 VAL 22 -2.173 -3.696 -2.891
195 H ASP 23 H ASP 23 -0.035 -5.675 -6.839
196 HA ASP 23 HA ASP 23 -1.820 -6.745 -8.771
197 1HB ASP 23 2HB ASP 23 0.353 -5.331 -9.031
198 2HB ASP 23 1HB ASP 23 1.169 -6.888 -9.049
199 H HIS 24 H HIS 24 0.845 -8.240 -6.971
200 HA HIS 24 HA HIS 24 0.820 -10.769 -8.262
201 1HB HIS 24 2HB HIS 24 2.557 -9.999 -6.633
202 2HB HIS 24 1HB HIS 24 1.390 -10.239 -5.333
203 HD1 HIS 24 1HD HIS 24 3.463 -12.026 -4.690
204 HD2 HIS 24 2HD HIS 24 0.890 -13.055 -7.804
205 HE1 HIS 24 1HE HIS 24 3.698 -14.527 -5.016
206 H LEU 25 H LEU 25 -1.406 -9.369 -5.971
207 HA LEU 25 HA LEU 25 -2.730 -12.030 -5.662
208 1HB LEU 25 2HB LEU 25 -3.352 -9.535 -4.077
209 2HB LEU 25 1HB LEU 25 -3.735 -11.208 -3.668
210 HG LEU 25 HG LEU 25 -0.861 -10.474 -4.054
211 1HD1 LEU 25 1HD1 LEU 25 -2.651 -9.546 -1.837
212 2HD1 LEU 25 2HD1 LEU 25 -1.289 -8.718 -2.592
213 3HD1 LEU 25 3HD1 LEU 25 -1.001 -10.028 -1.447
214 1HD2 LEU 25 1HD2 LEU 25 -1.901 -12.116 -1.798
215 2HD2 LEU 25 2HD2 LEU 25 -0.499 -12.389 -2.832
216 3HD2 LEU 25 3HD2 LEU 25 -2.117 -12.780 -3.418
217 H GLY 26 H GLY 26 -2.961 -9.146 -7.404
218 1HA GLY 26 2HA GLY 26 -4.648 -8.536 -8.951
219 2HA GLY 26 1HA GLY 26 -5.642 -9.862 -8.338
220 H VAL 27 H VAL 27 -5.212 -6.515 -8.296
221 HA VAL 27 HA VAL 27 -6.019 -5.681 -5.748
222 HB VAL 27 HB VAL 27 -5.435 -4.037 -7.410
223 1HG1 VAL 27 1HG1 VAL 27 -7.291 -3.693 -9.268
224 2HG1 VAL 27 2HG1 VAL 27 -7.614 -5.398 -8.955
225 3HG1 VAL 27 3HG1 VAL 27 -6.014 -4.887 -9.493
226 1HG2 VAL 27 1HG2 VAL 27 -8.413 -3.787 -6.886
227 2HG2 VAL 27 2HG2 VAL 27 -7.278 -2.470 -7.180
228 3HG2 VAL 27 3HG2 VAL 27 -7.168 -3.414 -5.694
229 H GLU 28 H GLU 28 -7.832 -7.416 -8.122
230 HA GLU 28 HA GLU 28 -10.468 -6.681 -7.165
231 1HB GLU 28 2HB GLU 28 -10.101 -7.591 -9.429
232 2HB GLU 28 1HB GLU 28 -9.574 -9.121 -8.726
233 1HG GLU 28 2HG GLU 28 -11.704 -9.804 -8.498
234 2HG GLU 28 1HG GLU 28 -12.107 -8.349 -7.585
235 H ARG 29 H ARG 29 -8.272 -9.410 -6.497
236 HA ARG 29 HA ARG 29 -10.115 -10.190 -4.270
237 1HB ARG 29 2HB ARG 29 -8.083 -11.952 -5.668
238 2HB ARG 29 1HB ARG 29 -9.304 -12.459 -4.501
239 1HG ARG 29 2HG ARG 29 -10.898 -12.582 -6.093
240 2HG ARG 29 1HG ARG 29 -10.485 -10.986 -6.720
241 1HD ARG 29 2HD ARG 29 -9.216 -11.847 -8.389
242 2HD ARG 29 1HD ARG 29 -8.461 -13.029 -7.319
243 HE ARG 29 HE ARG 29 -10.792 -14.240 -7.592
244 1HH1 ARG 29 1HH2 ARG 29 -8.376 -13.791 -9.770
245 2HH1 ARG 29 2HH2 ARG 29 -9.334 -14.008 -11.196
246 1HH2 ARG 29 1HH1 ARG 29 -12.357 -13.905 -9.505
247 2HH2 ARG 29 2HH1 ARG 29 -11.587 -14.073 -11.048
248 H ALA 30 H ALA 30 -7.589 -8.331 -4.548
249 HA ALA 30 HA ALA 30 -5.804 -9.638 -2.584
250 1HB ALA 30 1HB ALA 30 -4.256 -7.887 -3.053
251 2HB ALA 30 2HB ALA 30 -5.514 -6.862 -3.746
252 3HB ALA 30 3HB ALA 30 -4.978 -8.304 -4.607
253 H VAL 31 H VAL 31 -5.813 -9.142 -0.440
254 HA VAL 31 HA VAL 31 -7.577 -6.896 0.445
255 HB VAL 31 HB VAL 31 -7.428 -8.212 2.689
256 1HG1 VAL 31 1HG1 VAL 31 -9.529 -8.184 1.630
257 2HG1 VAL 31 2HG1 VAL 31 -9.163 -9.906 1.738
258 3HG1 VAL 31 3HG1 VAL 31 -8.930 -9.048 0.214
259 1HG2 VAL 31 1HG2 VAL 31 -7.029 -10.628 0.997
260 2HG2 VAL 31 2HG2 VAL 31 -6.575 -10.345 2.677
261 3HG2 VAL 31 3HG2 VAL 31 -5.586 -9.687 1.375
262 HA PRO 32 HA PRO 32 -4.060 -4.932 2.185
263 1HB PRO 32 2HB PRO 32 -5.218 -3.681 4.345
264 2HB PRO 32 1HB PRO 32 -5.432 -3.143 2.670
265 1HG PRO 32 2HG PRO 32 -7.354 -4.586 4.438
266 2HG PRO 32 1HG PRO 32 -7.680 -3.499 3.078
267 1HD PRO 32 2HD PRO 32 -7.814 -6.323 3.002
268 2HD PRO 32 1HD PRO 32 -7.790 -5.242 1.591
269 H LYS 33 H LYS 33 -5.970 -7.055 4.226
270 HA LYS 33 HA LYS 33 -4.188 -7.099 6.486
271 1HB LYS 33 2HB LYS 33 -6.413 -7.906 6.814
272 2HB LYS 33 1HB LYS 33 -6.289 -9.011 5.447
273 1HG LYS 33 2HG LYS 33 -4.293 -9.337 7.639
274 2HG LYS 33 1HG LYS 33 -5.948 -9.852 7.969
275 1HD LYS 33 2HD LYS 33 -5.789 -11.058 5.666
276 2HD LYS 33 1HD LYS 33 -4.046 -10.864 5.862
277 1HE LYS 33 2HE LYS 33 -4.108 -12.056 7.987
278 2HE LYS 33 1HE LYS 33 -5.867 -12.160 7.912
279 1HZ LYS 33 1HZ LYS 33 -4.394 -14.130 7.102
280 2HZ LYS 33 2HZ LYS 33 -4.283 -13.213 5.677
281 3HZ LYS 33 3HZ LYS 33 -5.802 -13.711 6.253
282 H LYS 34 H LYS 34 -4.635 -9.380 3.765
283 HA LYS 34 HA LYS 34 -2.372 -11.006 4.470
284 1HB LYS 34 2HB LYS 34 -4.110 -10.685 2.055
285 2HB LYS 34 1HB LYS 34 -2.579 -11.541 1.871
286 1HG LYS 34 2HG LYS 34 -4.506 -12.219 4.094
287 2HG LYS 34 1HG LYS 34 -4.643 -12.956 2.497
288 1HD LYS 34 2HD LYS 34 -2.186 -13.034 4.272
289 2HD LYS 34 1HD LYS 34 -3.296 -14.376 3.992
290 1HE LYS 34 2HE LYS 34 -2.633 -13.542 1.426
291 2HE LYS 34 1HE LYS 34 -1.115 -13.393 2.311
292 1HZ LYS 34 1HZ LYS 34 -2.341 -15.777 3.091
293 2HZ LYS 34 2HZ LYS 34 -0.894 -15.576 2.223
294 3HZ LYS 34 3HZ LYS 34 -2.371 -15.725 1.396
295 H ILE 35 H ILE 35 -2.754 -8.206 2.301
296 HA ILE 35 HA ILE 35 -0.074 -8.345 1.273
297 HB ILE 35 HB ILE 35 -2.071 -6.088 1.486
298 1HG1 ILE 35 2HG1 ILE 35 -1.164 -8.073 -0.564
299 2HG1 ILE 35 1HG1 ILE 35 -2.785 -7.466 -0.238
300 1HG2 ILE 35 1HG2 ILE 35 0.716 -6.058 0.276
301 2HG2 ILE 35 2HG2 ILE 35 0.162 -5.094 1.644
302 3HG2 ILE 35 3HG2 ILE 35 -0.494 -4.798 0.035
303 1HD1 ILE 35 1HD1 ILE 35 -2.446 -6.286 -2.162
304 2HD1 ILE 35 2HD1 ILE 35 -0.691 -6.393 -2.036
305 3HD1 ILE 35 3HD1 ILE 35 -1.570 -5.186 -1.098
306 H LEU 36 H LEU 36 -1.455 -7.137 4.246
307 HA LEU 36 HA LEU 36 0.578 -5.371 5.093
308 1HB LEU 36 2HB LEU 36 -1.411 -5.688 6.457
309 2HB LEU 36 1HB LEU 36 -1.023 -7.392 6.699
310 HG LEU 36 HG LEU 36 0.933 -6.845 7.991
311 1HD1 LEU 36 1HD1 LEU 36 0.997 -4.113 8.358
312 2HD1 LEU 36 2HD1 LEU 36 0.591 -4.249 6.647
313 3HD1 LEU 36 3HD1 LEU 36 2.057 -5.008 7.269
314 1HD2 LEU 36 1HD2 LEU 36 -0.425 -6.530 9.763
315 2HD2 LEU 36 2HD2 LEU 36 -1.699 -5.942 8.693
316 3HD2 LEU 36 3HD2 LEU 36 -0.524 -4.814 9.368
317 H ASP 37 H ASP 37 0.466 -8.901 4.997
318 HA ASP 37 HA ASP 37 3.006 -9.264 6.363
319 1HB ASP 37 2HB ASP 37 1.340 -11.057 4.577
320 2HB ASP 37 1HB ASP 37 2.861 -11.578 5.302
321 H LEU 38 H LEU 38 1.947 -8.861 3.026
322 HA LEU 38 HA LEU 38 4.335 -9.556 1.673
323 1HB LEU 38 2HB LEU 38 2.066 -7.669 1.101
324 2HB LEU 38 1HB LEU 38 3.483 -7.657 0.052
325 HG LEU 38 HG LEU 38 2.296 -10.308 0.735
326 1HD1 LEU 38 1HD1 LEU 38 1.027 -9.485 -1.636
327 2HD1 LEU 38 2HD1 LEU 38 0.803 -8.150 -0.505
328 3HD1 LEU 38 3HD1 LEU 38 0.260 -9.770 -0.074
329 1HD2 LEU 38 1HD2 LEU 38 3.434 -10.963 -1.138
330 2HD2 LEU 38 2HD2 LEU 38 4.338 -9.474 -0.863
331 3HD2 LEU 38 3HD2 LEU 38 3.013 -9.498 -2.025
332 H MET 39 H MET 39 3.377 -6.562 3.309
333 HA MET 39 HA MET 39 5.758 -5.113 2.462
334 1HB MET 39 2HB MET 39 3.626 -4.588 4.543
335 2HB MET 39 1HB MET 39 5.001 -3.507 4.306
336 1HG MET 39 2HG MET 39 2.997 -4.305 2.172
337 2HG MET 39 1HG MET 39 3.053 -2.747 2.996
338 1HE MET 39 1HE MET 39 4.867 -0.615 1.155
339 2HE MET 39 2HE MET 39 5.852 -1.094 2.534
340 3HE MET 39 3HE MET 39 4.097 -1.084 2.677
341 H ASN 40 H ASN 40 4.694 -6.483 5.599
342 HA ASN 40 HA ASN 40 5.968 -7.073 7.486
343 1HB ASN 40 2HB ASN 40 6.721 -8.781 5.789
344 2HB ASN 40 1HB ASN 40 8.073 -7.718 5.399
345 1HD2 ASN 40 1HD2 ASN 40 6.666 -8.371 8.642
346 2HD2 ASN 40 2HD2 ASN 40 8.090 -9.020 9.297
347 H VAL 41 H VAL 41 6.215 -4.321 6.277
348 HA VAL 41 HA VAL 41 8.978 -3.510 6.785
349 HB VAL 41 HB VAL 41 6.435 -1.939 6.291
350 1HG1 VAL 41 1HG1 VAL 41 8.086 -0.029 5.927
351 2HG1 VAL 41 2HG1 VAL 41 9.289 -1.035 6.735
352 3HG1 VAL 41 3HG1 VAL 41 7.845 -0.517 7.605
353 1HG2 VAL 41 1HG2 VAL 41 7.035 -2.927 4.257
354 2HG2 VAL 41 2HG2 VAL 41 8.759 -2.875 4.627
355 3HG2 VAL 41 3HG2 VAL 41 7.908 -1.396 4.180
356 H ASP 42 H ASP 42 9.633 -2.119 8.541
357 HA ASP 42 HA ASP 42 8.139 -2.666 11.031
358 1HB ASP 42 2HB ASP 42 10.121 -1.779 12.164
359 2HB ASP 42 1HB ASP 42 10.612 -2.966 10.956
360 H LYS 43 H LYS 43 7.201 -1.047 12.296
361 HA LYS 43 HA LYS 43 6.497 1.120 12.901
362 1HB LYS 43 2HB LYS 43 7.838 2.849 12.322
363 2HB LYS 43 1HB LYS 43 8.807 1.660 11.462
364 1HG LYS 43 2HG LYS 43 7.412 2.075 9.418
365 2HG LYS 43 1HG LYS 43 6.577 3.354 10.296
366 1HD LYS 43 2HD LYS 43 8.318 4.412 9.022
367 2HD LYS 43 1HD LYS 43 8.843 4.415 10.705
368 1HE LYS 43 2HE LYS 43 9.926 2.090 10.026
369 2HE LYS 43 1HE LYS 43 9.856 2.785 8.406
370 1HZ LYS 43 1HZ LYS 43 11.437 4.274 8.886
371 2HZ LYS 43 2HZ LYS 43 11.835 3.222 10.160
372 3HZ LYS 43 3HZ LYS 43 10.846 4.573 10.447
373 H LEU 44 H LEU 44 5.885 -0.564 10.065
374 HA LEU 44 HA LEU 44 3.832 1.327 9.084
375 1HB LEU 44 2HB LEU 44 5.009 -1.247 8.080
376 2HB LEU 44 1HB LEU 44 3.435 -0.727 7.479
377 HG LEU 44 HG LEU 44 6.014 0.863 7.371
378 1HD1 LEU 44 1HD1 LEU 44 6.276 -0.126 5.366
379 2HD1 LEU 44 2HD1 LEU 44 4.732 0.550 4.850
380 3HD1 LEU 44 3HD1 LEU 44 4.788 -1.042 5.606
381 1HD2 LEU 44 1HD2 LEU 44 4.016 2.058 5.788
382 2HD2 LEU 44 2HD2 LEU 44 4.686 2.685 7.294
383 3HD2 LEU 44 3HD2 LEU 44 3.232 1.687 7.323
384 H THR 45 H THR 45 1.609 0.936 9.245
385 HA THR 45 HA THR 45 0.839 -1.362 11.002
386 HB THR 45 HB THR 45 -1.070 0.098 11.733
387 HG1 THR 45 1HG THR 45 -0.820 2.333 11.236
388 1HG2 THR 45 1HG2 THR 45 1.673 0.221 12.452
389 2HG2 THR 45 2HG2 THR 45 0.276 0.610 13.456
390 3HG2 THR 45 3HG2 THR 45 1.055 1.872 12.500
391 H ARG 46 H ARG 46 -1.441 -2.120 10.614
392 HA ARG 46 HA ARG 46 -1.871 -2.537 7.773
393 1HB ARG 46 2HB ARG 46 -2.451 -4.313 9.316
394 2HB ARG 46 1HB ARG 46 -3.538 -3.246 10.204
395 1HG ARG 46 2HG ARG 46 -5.017 -3.063 8.292
396 2HG ARG 46 1HG ARG 46 -3.887 -3.966 7.282
397 1HD ARG 46 2HD ARG 46 -5.776 -5.374 8.122
398 2HD ARG 46 1HD ARG 46 -4.196 -5.964 8.641
399 HE ARG 46 HE ARG 46 -4.817 -5.485 10.864
400 1HH1 ARG 46 1HH1 ARG 46 -6.861 -3.898 8.577
401 2HH1 ARG 46 2HH1 ARG 46 -7.926 -3.254 9.781
402 1HH2 ARG 46 1HH2 ARG 46 -6.176 -4.619 12.446
403 2HH2 ARG 46 2HH2 ARG 46 -7.539 -3.661 11.970
404 H GLU 47 H GLU 47 -2.931 -0.187 10.062
405 HA GLU 47 HA GLU 47 -5.372 0.547 8.639
406 1HB GLU 47 2HB GLU 47 -4.377 1.056 11.162
407 2HB GLU 47 1HB GLU 47 -4.145 2.602 10.346
408 1HG GLU 47 2HG GLU 47 -6.351 3.042 10.415
409 2HG GLU 47 1HG GLU 47 -6.731 1.486 9.675
410 H ASN 48 H ASN 48 -1.992 1.365 8.444
411 HA ASN 48 HA ASN 48 -2.319 3.873 7.042
412 1HB ASN 48 2HB ASN 48 -0.048 1.932 7.424
413 2HB ASN 48 1HB ASN 48 0.108 3.268 6.283
414 1HD2 ASN 48 1HD2 ASN 48 -1.164 5.369 7.559
415 2HD2 ASN 48 2HD2 ASN 48 -0.414 5.705 9.044
416 H VAL 49 H VAL 49 -1.739 0.517 5.976
417 HA VAL 49 HA VAL 49 -1.920 1.303 3.154
418 HB VAL 49 HB VAL 49 -1.689 -1.378 4.549
419 1HG1 VAL 49 1HG1 VAL 49 -1.065 -1.600 1.796
420 2HG1 VAL 49 2HG1 VAL 49 -2.616 -0.766 1.887
421 3HG1 VAL 49 3HG1 VAL 49 -2.417 -2.343 2.651
422 1HG2 VAL 49 1HG2 VAL 49 0.459 -0.607 4.610
423 2HG2 VAL 49 2HG2 VAL 49 0.164 0.603 3.362
424 3HG2 VAL 49 3HG2 VAL 49 0.475 -1.073 2.909
425 H ALA 50 H ALA 50 -4.016 0.090 5.657
426 HA ALA 50 HA ALA 50 -6.098 -0.830 3.847
427 1HB ALA 50 1HB ALA 50 -7.503 -0.695 6.003
428 2HB ALA 50 2HB ALA 50 -5.999 -0.251 6.811
429 3HB ALA 50 3HB ALA 50 -6.141 -1.815 6.009
430 H SER 51 H SER 51 -5.092 2.212 5.107
431 HA SER 51 HA SER 51 -7.650 3.564 4.862
432 1HB SER 51 2HB SER 51 -4.805 4.420 5.271
433 2HB SER 51 1HB SER 51 -6.000 5.623 4.792
434 HG SER 51 HG SER 51 -7.119 5.250 6.629
435 H HIS 52 H HIS 52 -4.698 3.444 2.834
436 HA HIS 52 HA HIS 52 -5.703 5.109 0.748
437 1HB HIS 52 2HB HIS 52 -3.327 4.473 0.903
438 2HB HIS 52 1HB HIS 52 -3.749 2.794 0.562
439 HD1 HIS 52 1HD HIS 52 -5.609 5.448 -1.265
440 HD2 HIS 52 2HD HIS 52 -2.316 2.982 -1.946
441 HE1 HIS 52 1HE HIS 52 -5.109 5.589 -3.744
442 H LEU 53 H LEU 53 -6.020 1.636 1.354
443 HA LEU 53 HA LEU 53 -7.249 0.963 -1.148
444 1HB LEU 53 2HB LEU 53 -6.330 -0.722 0.414
445 2HB LEU 53 1HB LEU 53 -7.601 -0.334 1.574
446 HG LEU 53 HG LEU 53 -9.161 -0.814 -0.540
447 1HD1 LEU 53 1HD1 LEU 53 -8.286 -2.510 -1.991
448 2HD1 LEU 53 2HD1 LEU 53 -6.836 -2.697 -1.005
449 3HD1 LEU 53 3HD1 LEU 53 -7.077 -1.226 -1.948
450 1HD2 LEU 53 1HD2 LEU 53 -7.866 -2.826 1.317
451 2HD2 LEU 53 2HD2 LEU 53 -9.210 -3.243 0.253
452 3HD2 LEU 53 3HD2 LEU 53 -9.426 -2.026 1.511
453 H GLN 54 H GLN 54 -8.618 1.935 1.999
454 HA GLN 54 HA GLN 54 -11.364 1.716 1.145
455 1HB GLN 54 2HB GLN 54 -9.920 2.939 3.457
456 2HB GLN 54 1HB GLN 54 -11.569 3.483 3.139
457 1HG GLN 54 2HG GLN 54 -12.220 1.018 3.038
458 2HG GLN 54 1HG GLN 54 -10.624 0.665 3.700
459 1HE2 GLN 54 1HE2 GLN 54 -11.998 -0.188 5.596
460 2HE2 GLN 54 2HE2 GLN 54 -12.480 0.930 6.779
461 H LYS 55 H LYS 55 -8.903 4.160 0.790
462 HA LYS 55 HA LYS 55 -10.702 6.350 0.207
463 1HB LYS 55 2HB LYS 55 -7.769 5.836 -0.062
464 2HB LYS 55 1HB LYS 55 -8.465 7.153 -1.008
465 1HG LYS 55 2HG LYS 55 -9.591 7.371 1.573
466 2HG LYS 55 1HG LYS 55 -7.869 7.077 1.816
467 1HD LYS 55 2HD LYS 55 -7.999 8.901 -0.314
468 2HD LYS 55 1HD LYS 55 -9.194 9.472 0.853
469 1HE LYS 55 2HE LYS 55 -7.482 9.347 2.643
470 2HE LYS 55 1HE LYS 55 -6.290 8.830 1.451
471 1HZ LYS 55 1HZ LYS 55 -7.153 10.995 0.255
472 2HZ LYS 55 2HZ LYS 55 -5.917 11.052 1.418
473 3HZ LYS 55 3HZ LYS 55 -7.511 11.455 1.848
474 H PHE 56 H PHE 56 -9.270 3.752 -1.671
475 HA PHE 56 HA PHE 56 -9.795 4.890 -4.268
476 1HB PHE 56 2HB PHE 56 -8.235 2.966 -3.833
477 2HB PHE 56 1HB PHE 56 -9.642 1.951 -3.519
478 HD1 PHE 56 1HD PHE 56 -9.591 0.438 -5.350
479 HD2 PHE 56 2HD PHE 56 -9.320 4.666 -6.056
480 HE1 PHE 56 1HE PHE 56 -9.850 0.047 -7.784
481 HE2 PHE 56 2HE PHE 56 -9.580 4.275 -8.492
482 HZ PHE 56 HZ PHE 56 -9.845 1.966 -9.355
483 H ARG 57 H ARG 57 -11.628 2.558 -2.246
484 HA ARG 57 HA ARG 57 -13.813 2.191 -4.011
485 1HB ARG 57 2HB ARG 57 -13.541 2.148 -1.010
486 2HB ARG 57 1HB ARG 57 -15.140 2.019 -1.744
487 1HG ARG 57 2HG ARG 57 -14.510 -0.224 -1.616
488 2HG ARG 57 1HG ARG 57 -13.991 0.194 -3.250
489 1HD ARG 57 2HD ARG 57 -11.713 0.654 -2.396
490 2HD ARG 57 1HD ARG 57 -12.236 0.189 -0.777
491 HE ARG 57 HE ARG 57 -11.709 -1.642 -3.012
492 1HH1 ARG 57 1HH2 ARG 57 -11.029 -1.868 0.002
493 2HH1 ARG 57 2HH2 ARG 57 -12.052 -3.191 0.449
494 1HH2 ARG 57 1HH1 ARG 57 -13.978 -3.023 -2.430
495 2HH2 ARG 57 2HH1 ARG 57 -13.722 -3.844 -0.927
496 H VAL 58 H VAL 58 -13.087 4.786 -1.719
497 HA VAL 58 HA VAL 58 -15.559 6.214 -2.021
498 HB VAL 58 HB VAL 58 -12.755 7.104 -1.289
499 1HG1 VAL 58 1HG1 VAL 58 -14.333 9.102 -0.378
500 2HG1 VAL 58 2HG1 VAL 58 -15.219 8.669 -1.841
501 3HG1 VAL 58 3HG1 VAL 58 -13.529 9.159 -1.947
502 1HG2 VAL 58 1HG2 VAL 58 -15.250 6.984 0.417
503 2HG2 VAL 58 2HG2 VAL 58 -13.574 7.109 0.952
504 3HG2 VAL 58 3HG2 VAL 58 -14.164 5.604 0.244
505 H ALA 59 H ALA 59 -12.476 6.256 -3.760
506 HA ALA 59 HA ALA 59 -13.229 8.384 -5.574
507 1HB ALA 59 1HB ALA 59 -11.204 7.895 -6.719
508 2HB ALA 59 2HB ALA 59 -11.196 6.225 -6.151
509 3HB ALA 59 3HB ALA 59 -10.853 7.541 -5.027
510 H LEU 60 H LEU 60 -14.059 5.099 -5.277
511 HA LEU 60 HA LEU 60 -14.711 4.765 -8.141
512 1HB LEU 60 2HB LEU 60 -14.554 2.991 -5.741
513 2HB LEU 60 1HB LEU 60 -15.648 2.516 -7.036
514 HG LEU 60 HG LEU 60 -12.749 3.254 -7.502
515 1HD1 LEU 60 1HD1 LEU 60 -13.513 0.436 -7.793
516 2HD1 LEU 60 2HD1 LEU 60 -13.630 1.017 -6.131
517 3HD1 LEU 60 3HD1 LEU 60 -12.102 1.141 -7.003
518 1HD2 LEU 60 1HD2 LEU 60 -14.798 3.144 -9.283
519 2HD2 LEU 60 2HD2 LEU 60 -14.276 1.459 -9.309
520 3HD2 LEU 60 3HD2 LEU 60 -13.132 2.744 -9.701
521 H LYS 61 H LYS 61 -16.201 5.657 -5.149
522 HA LYS 61 HA LYS 61 -18.925 5.087 -6.121
523 1HB LYS 61 2HB LYS 61 -18.037 4.965 -3.653
524 2HB LYS 61 1HB LYS 61 -18.315 6.707 -3.667
525 1HG LYS 61 2HG LYS 61 -20.560 6.453 -3.581
526 2HG LYS 61 1HG LYS 61 -20.544 5.194 -4.816
527 1HD LYS 61 2HD LYS 61 -19.754 3.569 -3.095
528 2HD LYS 61 1HD LYS 61 -19.911 4.833 -1.874
529 1HE LYS 61 2HE LYS 61 -22.145 4.547 -1.741
530 2HE LYS 61 1HE LYS 61 -22.321 4.594 -3.496
531 1HZ LYS 61 1HZ LYS 61 -21.658 2.268 -1.791
532 2HZ LYS 61 2HZ LYS 61 -21.419 2.259 -3.473
533 3HZ LYS 61 3HZ LYS 61 -22.981 2.456 -2.834
534 H LYS 62 H LYS 62 -17.408 8.032 -4.794
535 HA LYS 62 HA LYS 62 -19.190 9.651 -6.523
536 1HB LYS 62 2HB LYS 62 -17.257 10.487 -4.338
537 2HB LYS 62 1HB LYS 62 -18.376 11.560 -5.178
538 1HG LYS 62 2HG LYS 62 -20.282 10.234 -4.351
539 2HG LYS 62 1HG LYS 62 -19.168 9.151 -3.514
540 1HD LYS 62 2HD LYS 62 -20.198 10.974 -2.068
541 2HD LYS 62 1HD LYS 62 -18.436 10.897 -2.044
542 1HE LYS 62 2HE LYS 62 -18.194 12.844 -3.271
543 2HE LYS 62 1HE LYS 62 -19.743 12.643 -4.090
544 1HZ LYS 62 1HZ LYS 62 -19.150 13.832 -1.499
545 2HZ LYS 62 2HZ LYS 62 -20.578 12.918 -1.601
546 3HZ LYS 62 3HZ LYS 62 -20.340 14.244 -2.635
547 H VAL 63 H VAL 63 -17.654 8.563 -8.289
548 HA VAL 63 HA VAL 63 -15.003 9.482 -8.672
549 HB VAL 63 HB VAL 63 -15.254 8.821 -10.965
550 1HG1 VAL 63 1HG1 VAL 63 -17.274 6.928 -10.103
551 2HG1 VAL 63 2HG1 VAL 63 -16.101 7.212 -8.818
552 3HG1 VAL 63 3HG1 VAL 63 -15.556 6.659 -10.401
553 1HG2 VAL 63 1HG2 VAL 63 -18.144 9.461 -10.440
554 2HG2 VAL 63 2HG2 VAL 63 -17.731 8.300 -11.702
555 3HG2 VAL 63 3HG2 VAL 63 -17.125 9.954 -11.792
556 H SER 64 H SER 64 -14.521 10.991 -10.709
557 HA SER 64 HA SER 64 -15.831 13.573 -10.079
558 1HB SER 64 2HB SER 64 -13.663 13.472 -12.096
559 2HB SER 64 1HB SER 64 -13.885 14.570 -10.737
560 HG SER 64 HG SER 64 -12.114 13.126 -10.447
Start of MODEL 12
1 1H THR 1 1HT THR 1 25.096 12.875 -6.360
2 2H THR 1 2HT THR 1 24.648 11.780 -7.579
3 3H THR 1 3HT THR 1 25.695 11.288 -6.334
4 HA THR 1 HA THR 1 22.849 12.067 -5.998
5 HB THR 1 HB THR 1 23.455 9.405 -5.152
6 HG1 THR 1 1HG THR 1 24.354 8.538 -6.916
7 1HG2 THR 1 1HG2 THR 1 21.250 10.131 -5.834
8 2HG2 THR 1 2HG2 THR 1 21.778 8.868 -6.946
9 3HG2 THR 1 3HG2 THR 1 21.840 10.561 -7.438
10 H ALA 2 H ALA 2 22.242 12.371 -3.869
11 HA ALA 2 HA ALA 2 23.907 11.424 -1.660
12 1HB ALA 2 1HB ALA 2 24.676 13.499 -0.843
13 2HB ALA 2 2HB ALA 2 23.569 14.414 -1.867
14 3HB ALA 2 3HB ALA 2 24.968 13.609 -2.578
15 H GLN 3 H GLN 3 22.807 11.636 0.367
16 HA GLN 3 HA GLN 3 20.902 11.748 1.733
17 1HB GLN 3 2HB GLN 3 20.792 14.140 0.010
18 2HB GLN 3 1HB GLN 3 19.233 13.646 0.669
19 1HG GLN 3 2HG GLN 3 19.886 14.803 2.514
20 2HG GLN 3 1HG GLN 3 20.856 13.371 2.860
21 1HE2 GLN 3 1HE2 GLN 3 21.636 16.055 3.660
22 2HE2 GLN 3 2HE2 GLN 3 23.060 16.442 2.823
23 H LYS 4 H LYS 4 19.840 9.819 1.372
24 HA LYS 4 HA LYS 4 18.427 9.263 -1.112
25 1HB LYS 4 2HB LYS 4 17.509 7.311 0.300
26 2HB LYS 4 1HB LYS 4 19.252 7.351 0.029
27 1HG LYS 4 2HG LYS 4 19.702 7.709 2.223
28 2HG LYS 4 1HG LYS 4 18.389 8.875 2.392
29 1HD LYS 4 2HD LYS 4 16.984 7.315 3.225
30 2HD LYS 4 1HD LYS 4 17.404 6.159 1.960
31 1HE LYS 4 2HE LYS 4 18.577 4.995 3.488
32 2HE LYS 4 1HE LYS 4 19.686 6.361 3.608
33 1HZ LYS 4 1HZ LYS 4 18.041 7.343 5.212
34 2HZ LYS 4 2HZ LYS 4 18.879 5.972 5.767
35 3HZ LYS 4 3HZ LYS 4 17.270 5.832 5.238
36 H LYS 5 H LYS 5 15.998 8.262 -0.448
37 HA LYS 5 HA LYS 5 14.391 10.610 -0.120
38 1HB LYS 5 2HB LYS 5 12.487 8.993 0.034
39 2HB LYS 5 1HB LYS 5 13.540 8.685 -1.348
40 1HG LYS 5 2HG LYS 5 14.793 7.123 0.409
41 2HG LYS 5 1HG LYS 5 13.201 7.104 1.166
42 1HD LYS 5 2HD LYS 5 13.146 5.274 -0.334
43 2HD LYS 5 1HD LYS 5 12.292 6.560 -1.188
44 1HE LYS 5 2HE LYS 5 15.155 6.700 -1.670
45 2HE LYS 5 1HE LYS 5 14.507 5.125 -2.128
46 1HZ LYS 5 1HZ LYS 5 14.334 6.650 -3.963
47 2HZ LYS 5 2HZ LYS 5 13.489 7.773 -3.009
48 3HZ LYS 5 3HZ LYS 5 12.779 6.281 -3.399
49 HA PRO 6 HA PRO 6 14.444 10.735 4.313
50 1HB PRO 6 2HB PRO 6 12.616 12.771 4.570
51 2HB PRO 6 1HB PRO 6 14.307 13.026 4.108
52 1HG PRO 6 2HG PRO 6 11.862 13.142 2.409
53 2HG PRO 6 1HG PRO 6 13.423 13.949 2.185
54 1HD PRO 6 2HD PRO 6 12.535 11.626 0.821
55 2HD PRO 6 1HD PRO 6 14.191 12.268 0.833
56 H ARG 7 H ARG 7 13.271 9.613 5.829
57 HA ARG 7 HA ARG 7 11.600 8.106 6.560
58 1HB ARG 7 2HB ARG 7 9.353 9.413 6.738
59 2HB ARG 7 1HB ARG 7 10.747 10.002 7.643
60 1HG ARG 7 2HG ARG 7 11.254 11.597 5.824
61 2HG ARG 7 1HG ARG 7 9.847 11.018 4.930
62 1HD ARG 7 2HD ARG 7 8.583 12.506 6.047
63 2HD ARG 7 1HD ARG 7 8.929 11.625 7.535
64 HE ARG 7 HE ARG 7 11.060 13.128 7.586
65 1HH1 ARG 7 1HH1 ARG 7 7.803 13.963 7.197
66 2HH1 ARG 7 2HH1 ARG 7 8.091 15.661 7.011
67 1HH2 ARG 7 1HH2 ARG 7 11.542 15.336 6.921
68 2HH2 ARG 7 2HH2 ARG 7 10.208 16.438 6.857
69 H VAL 8 H VAL 8 11.404 6.490 4.973
70 HA VAL 8 HA VAL 8 9.873 6.943 2.532
71 HB VAL 8 HB VAL 8 11.239 4.598 3.816
72 1HG1 VAL 8 1HG1 VAL 8 10.278 3.295 1.744
73 2HG1 VAL 8 2HG1 VAL 8 8.968 4.469 1.855
74 3HG1 VAL 8 3HG1 VAL 8 9.315 3.407 3.218
75 1HG2 VAL 8 1HG2 VAL 8 11.517 6.339 1.477
76 2HG2 VAL 8 2HG2 VAL 8 11.680 4.628 1.079
77 3HG2 VAL 8 3HG2 VAL 8 12.733 5.356 2.292
78 H LEU 9 H LEU 9 7.816 7.664 3.318
79 HA LEU 9 HA LEU 9 6.270 5.685 4.923
80 1HB LEU 9 2HB LEU 9 6.405 8.172 5.566
81 2HB LEU 9 1HB LEU 9 5.377 8.471 4.163
82 HG LEU 9 HG LEU 9 3.672 6.952 5.063
83 1HD1 LEU 9 1HD1 LEU 9 4.245 6.425 7.654
84 2HD1 LEU 9 2HD1 LEU 9 5.870 6.362 6.972
85 3HD1 LEU 9 3HD1 LEU 9 4.609 5.301 6.346
86 1HD2 LEU 9 1HD2 LEU 9 3.249 8.262 7.268
87 2HD2 LEU 9 2HD2 LEU 9 3.312 9.179 5.763
88 3HD2 LEU 9 3HD2 LEU 9 4.707 9.158 6.841
89 H TRP 10 H TRP 10 6.252 7.471 1.865
90 HA TRP 10 HA TRP 10 4.786 5.393 0.514
91 1HB TRP 10 2HB TRP 10 3.278 7.733 1.607
92 2HB TRP 10 1HB TRP 10 2.847 7.157 -0.003
93 HD1 TRP 10 HD TRP 10 1.845 6.661 3.394
94 HE1 TRP 10 1HE TRP 10 0.763 4.351 3.770
95 HE3 TRP 10 3HE TRP 10 3.330 4.284 -0.876
96 HZ2 TRP 10 2HZ TRP 10 0.554 1.830 2.437
97 HZ3 TRP 10 3HZ TRP 10 2.675 1.931 -1.297
98 HH2 TRP 10 HH TRP 10 1.291 0.701 0.353
99 H THR 11 H THR 11 6.879 5.992 -0.624
100 HA THR 11 HA THR 11 6.483 8.378 -2.388
101 HB THR 11 HB THR 11 9.018 8.061 -2.778
102 HG1 THR 11 1HG THR 11 10.001 7.019 -0.943
103 1HG2 THR 11 1HG2 THR 11 7.855 9.816 -1.327
104 2HG2 THR 11 2HG2 THR 11 9.536 9.464 -0.924
105 3HG2 THR 11 3HG2 THR 11 8.233 8.780 0.049
106 H HIS 12 H HIS 12 7.724 7.986 -4.584
107 HA HIS 12 HA HIS 12 6.386 6.033 -6.073
108 1HB HIS 12 2HB HIS 12 7.595 7.804 -7.195
109 2HB HIS 12 1HB HIS 12 9.127 7.240 -6.529
110 HD1 HIS 12 1HD HIS 12 6.307 5.796 -8.667
111 HD2 HIS 12 2HD HIS 12 10.450 5.559 -8.269
112 HE1 HIS 12 1HE HIS 12 7.117 4.260 -10.510
113 H GLU 13 H GLU 13 9.144 5.677 -3.979
114 HA GLU 13 HA GLU 13 10.011 3.114 -5.037
115 1HB GLU 13 2HB GLU 13 11.360 4.773 -3.585
116 2HB GLU 13 1HB GLU 13 10.478 4.093 -2.220
117 1HG GLU 13 2HG GLU 13 11.904 2.355 -2.177
118 2HG GLU 13 1HG GLU 13 11.392 1.912 -3.806
119 H LEU 14 H LEU 14 8.261 4.057 -2.061
120 HA LEU 14 HA LEU 14 7.623 1.409 -1.244
121 1HB LEU 14 2HB LEU 14 6.560 4.131 -0.648
122 2HB LEU 14 1HB LEU 14 5.553 2.754 -0.204
123 HG LEU 14 HG LEU 14 8.432 3.202 0.624
124 1HD1 LEU 14 1HD1 LEU 14 7.005 4.608 1.931
125 2HD1 LEU 14 2HD1 LEU 14 7.310 3.183 2.926
126 3HD1 LEU 14 3HD1 LEU 14 5.777 3.350 2.069
127 1HD2 LEU 14 1HD2 LEU 14 7.758 1.161 2.128
128 2HD2 LEU 14 2HD2 LEU 14 8.251 0.872 0.459
129 3HD2 LEU 14 3HD2 LEU 14 6.540 0.878 0.885
130 H HIS 15 H HIS 15 6.333 3.372 -3.777
131 HA HIS 15 HA HIS 15 3.751 2.042 -3.947
132 1HB HIS 15 2HB HIS 15 4.372 4.365 -4.862
133 2HB HIS 15 1HB HIS 15 5.147 3.506 -6.193
134 HD1 HIS 15 1HD HIS 15 2.423 1.437 -5.266
135 HD2 HIS 15 2HD HIS 15 2.711 4.998 -7.415
136 HE1 HIS 15 1HE HIS 15 0.292 1.630 -6.624
137 H ASN 16 H ASN 16 6.958 1.483 -5.249
138 HA ASN 16 HA ASN 16 6.160 -0.343 -7.332
139 1HB ASN 16 2HB ASN 16 8.724 0.319 -5.929
140 2HB ASN 16 1HB ASN 16 8.646 -1.153 -6.899
141 1HD2 ASN 16 1HD2 ASN 16 10.258 1.162 -7.621
142 2HD2 ASN 16 2HD2 ASN 16 9.634 1.782 -9.072
143 H LYS 17 H LYS 17 7.197 -0.818 -3.946
144 HA LYS 17 HA LYS 17 7.024 -3.706 -4.104
145 1HB LYS 17 2HB LYS 17 6.837 -1.980 -1.618
146 2HB LYS 17 1HB LYS 17 7.326 -3.673 -1.706
147 1HG LYS 17 2HG LYS 17 9.317 -3.080 -2.979
148 2HG LYS 17 1HG LYS 17 8.810 -1.391 -3.043
149 1HD LYS 17 2HD LYS 17 8.754 -1.607 -0.420
150 2HD LYS 17 1HD LYS 17 9.838 -2.969 -0.704
151 1HE LYS 17 2HE LYS 17 10.257 -0.077 -1.487
152 2HE LYS 17 1HE LYS 17 11.249 -1.060 -0.408
153 1HZ LYS 17 1HZ LYS 17 12.446 -1.208 -2.325
154 2HZ LYS 17 2HZ LYS 17 11.085 -1.090 -3.334
155 3HZ LYS 17 3HZ LYS 17 11.430 -2.549 -2.534
156 H PHE 18 H PHE 18 4.808 -1.134 -3.094
157 HA PHE 18 HA PHE 18 2.771 -2.960 -2.136
158 1HB PHE 18 2HB PHE 18 2.811 -0.681 -1.308
159 2HB PHE 18 1HB PHE 18 2.662 -0.041 -2.944
160 HD1 PHE 18 1HD PHE 18 0.542 0.395 -3.842
161 HD2 PHE 18 2HD PHE 18 0.911 -2.277 -0.501
162 HE1 PHE 18 1HE PHE 18 -1.929 0.268 -3.674
163 HE2 PHE 18 2HE PHE 18 -1.560 -2.406 -0.332
164 HZ PHE 18 HZ PHE 18 -2.979 -1.134 -1.918
165 H LEU 19 H LEU 19 3.679 -1.738 -5.265
166 HA LEU 19 HA LEU 19 1.073 -2.349 -6.468
167 1HB LEU 19 2HB LEU 19 3.689 -1.274 -7.431
168 2HB LEU 19 1HB LEU 19 2.632 -2.044 -8.616
169 HG LEU 19 HG LEU 19 1.623 0.060 -6.699
170 1HD1 LEU 19 1HD1 LEU 19 3.018 1.473 -7.827
171 2HD1 LEU 19 2HD1 LEU 19 1.795 1.348 -9.091
172 3HD1 LEU 19 3HD1 LEU 19 3.243 0.343 -9.164
173 1HD2 LEU 19 1HD2 LEU 19 -0.346 -0.341 -7.720
174 2HD2 LEU 19 2HD2 LEU 19 0.416 -1.678 -8.580
175 3HD2 LEU 19 3HD2 LEU 19 0.383 -0.070 -9.303
176 H ALA 20 H ALA 20 4.295 -3.847 -6.324
177 HA ALA 20 HA ALA 20 3.501 -6.040 -8.077
178 1HB ALA 20 1HB ALA 20 5.876 -5.671 -6.225
179 2HB ALA 20 2HB ALA 20 5.853 -5.444 -7.974
180 3HB ALA 20 3HB ALA 20 5.668 -7.060 -7.293
181 H ALA 21 H ALA 21 3.307 -5.336 -4.678
182 HA ALA 21 HA ALA 21 2.963 -8.114 -3.858
183 1HB ALA 21 1HB ALA 21 2.265 -7.125 -1.695
184 2HB ALA 21 2HB ALA 21 2.264 -5.525 -2.433
185 3HB ALA 21 3HB ALA 21 3.775 -6.417 -2.263
186 H VAL 22 H VAL 22 0.834 -5.383 -4.636
187 HA VAL 22 HA VAL 22 -1.613 -6.801 -3.985
188 HB VAL 22 HB VAL 22 -1.270 -4.508 -5.938
189 1HG1 VAL 22 1HG1 VAL 22 -3.488 -5.962 -5.372
190 2HG1 VAL 22 2HG1 VAL 22 -3.533 -4.253 -5.806
191 3HG1 VAL 22 3HG1 VAL 22 -3.591 -4.735 -4.109
192 1HG2 VAL 22 1HG2 VAL 22 -2.021 -3.970 -3.124
193 2HG2 VAL 22 2HG2 VAL 22 -1.002 -3.033 -4.217
194 3HG2 VAL 22 3HG2 VAL 22 -0.342 -4.442 -3.387
195 H ASP 23 H ASP 23 0.123 -6.079 -6.993
196 HA ASP 23 HA ASP 23 -1.619 -7.423 -8.788
197 1HB ASP 23 2HB ASP 23 0.464 -5.908 -9.207
198 2HB ASP 23 1HB ASP 23 1.367 -7.412 -9.116
199 H HIS 24 H HIS 24 1.138 -8.580 -6.879
200 HA HIS 24 HA HIS 24 1.316 -11.200 -7.937
201 1HB HIS 24 2HB HIS 24 2.940 -10.216 -6.322
202 2HB HIS 24 1HB HIS 24 1.731 -10.375 -5.048
203 HD1 HIS 24 1HD HIS 24 2.419 -12.330 -3.652
204 HD2 HIS 24 2HD HIS 24 2.869 -13.114 -7.722
205 HE1 HIS 24 1HE HIS 24 3.137 -14.752 -3.841
206 H LEU 25 H LEU 25 -1.023 -9.786 -5.747
207 HA LEU 25 HA LEU 25 -2.237 -12.481 -5.323
208 1HB LEU 25 2HB LEU 25 -3.044 -9.909 -3.955
209 2HB LEU 25 1HB LEU 25 -3.371 -11.563 -3.438
210 HG LEU 25 HG LEU 25 -0.516 -10.749 -3.769
211 1HD1 LEU 25 1HD1 LEU 25 -0.701 -9.037 -2.311
212 2HD1 LEU 25 2HD1 LEU 25 -1.161 -10.222 -1.088
213 3HD1 LEU 25 3HD1 LEU 25 -2.404 -9.394 -2.025
214 1HD2 LEU 25 1HD2 LEU 25 -1.907 -12.975 -2.822
215 2HD2 LEU 25 2HD2 LEU 25 -1.369 -12.158 -1.355
216 3HD2 LEU 25 3HD2 LEU 25 -0.192 -12.645 -2.575
217 H GLY 26 H GLY 26 -2.531 -9.745 -7.273
218 1HA GLY 26 2HA GLY 26 -4.169 -9.466 -8.991
219 2HA GLY 26 1HA GLY 26 -5.205 -10.628 -8.156
220 H VAL 27 H VAL 27 -4.707 -7.348 -8.737
221 HA VAL 27 HA VAL 27 -5.441 -6.012 -6.404
222 HB VAL 27 HB VAL 27 -4.915 -4.876 -8.547
223 1HG1 VAL 27 1HG1 VAL 27 -6.069 -6.203 -10.156
224 2HG1 VAL 27 2HG1 VAL 27 -6.902 -4.649 -10.153
225 3HG1 VAL 27 3HG1 VAL 27 -7.605 -6.028 -9.307
226 1HG2 VAL 27 1HG2 VAL 27 -7.570 -4.236 -7.235
227 2HG2 VAL 27 2HG2 VAL 27 -6.802 -3.172 -8.413
228 3HG2 VAL 27 3HG2 VAL 27 -5.998 -3.520 -6.882
229 H GLU 28 H GLU 28 -7.348 -8.149 -8.350
230 HA GLU 28 HA GLU 28 -9.952 -7.269 -7.481
231 1HB GLU 28 2HB GLU 28 -9.501 -8.755 -9.464
232 2HB GLU 28 1HB GLU 28 -9.142 -10.062 -8.334
233 1HG GLU 28 2HG GLU 28 -11.334 -10.484 -8.055
234 2HG GLU 28 1HG GLU 28 -11.633 -8.804 -7.603
235 H ARG 29 H ARG 29 -7.772 -9.845 -6.307
236 HA ARG 29 HA ARG 29 -9.493 -10.043 -3.869
237 1HB ARG 29 2HB ARG 29 -7.683 -12.022 -5.255
238 2HB ARG 29 1HB ARG 29 -8.187 -12.253 -3.581
239 1HG ARG 29 2HG ARG 29 -10.468 -12.426 -4.164
240 2HG ARG 29 1HG ARG 29 -10.207 -11.698 -5.749
241 1HD ARG 29 2HD ARG 29 -9.465 -13.656 -6.679
242 2HD ARG 29 1HD ARG 29 -8.688 -14.189 -5.187
243 HE ARG 29 HE ARG 29 -10.818 -15.058 -4.435
244 1HH1 ARG 29 1HH2 ARG 29 -10.640 -16.001 -7.337
245 2HH1 ARG 29 2HH2 ARG 29 -12.238 -15.637 -7.901
246 1HH2 ARG 29 1HH1 ARG 29 -12.985 -13.539 -5.242
247 2HH2 ARG 29 2HH1 ARG 29 -13.565 -14.244 -6.714
248 H ALA 30 H ALA 30 -7.013 -8.271 -4.683
249 HA ALA 30 HA ALA 30 -4.994 -9.052 -2.738
250 1HB ALA 30 1HB ALA 30 -4.938 -7.460 -4.942
251 2HB ALA 30 2HB ALA 30 -3.722 -7.405 -3.666
252 3HB ALA 30 3HB ALA 30 -5.050 -6.244 -3.670
253 H VAL 31 H VAL 31 -5.268 -8.793 -0.597
254 HA VAL 31 HA VAL 31 -6.981 -6.534 0.352
255 HB VAL 31 HB VAL 31 -6.922 -7.968 2.535
256 1HG1 VAL 31 1HG1 VAL 31 -8.588 -9.628 1.065
257 2HG1 VAL 31 2HG1 VAL 31 -8.521 -8.163 0.086
258 3HG1 VAL 31 3HG1 VAL 31 -9.049 -8.078 1.766
259 1HG2 VAL 31 1HG2 VAL 31 -6.183 -10.142 2.413
260 2HG2 VAL 31 2HG2 VAL 31 -5.138 -9.463 1.165
261 3HG2 VAL 31 3HG2 VAL 31 -6.620 -10.303 0.712
262 HA PRO 32 HA PRO 32 -3.465 -4.761 2.262
263 1HB PRO 32 2HB PRO 32 -4.608 -3.665 4.517
264 2HB PRO 32 1HB PRO 32 -4.801 -2.990 2.890
265 1HG PRO 32 2HG PRO 32 -6.757 -4.546 4.525
266 2HG PRO 32 1HG PRO 32 -7.058 -3.334 3.269
267 1HD PRO 32 2HD PRO 32 -7.260 -6.127 2.929
268 2HD PRO 32 1HD PRO 32 -7.172 -4.928 1.620
269 H LYS 33 H LYS 33 -5.419 -6.984 4.156
270 HA LYS 33 HA LYS 33 -3.597 -7.255 6.369
271 1HB LYS 33 2HB LYS 33 -5.853 -8.014 6.670
272 2HB LYS 33 1HB LYS 33 -5.763 -9.043 5.242
273 1HG LYS 33 2HG LYS 33 -3.745 -9.527 7.379
274 2HG LYS 33 1HG LYS 33 -5.404 -10.019 7.718
275 1HD LYS 33 2HD LYS 33 -5.246 -11.042 5.273
276 2HD LYS 33 1HD LYS 33 -3.519 -11.035 5.627
277 1HE LYS 33 2HE LYS 33 -3.841 -12.388 7.596
278 2HE LYS 33 1HE LYS 33 -5.594 -12.234 7.480
279 1HZ LYS 33 1HZ LYS 33 -5.561 -14.068 6.261
280 2HZ LYS 33 2HZ LYS 33 -3.864 -14.073 6.181
281 3HZ LYS 33 3HZ LYS 33 -4.769 -13.199 5.039
282 H LYS 34 H LYS 34 -4.139 -9.259 3.454
283 HA LYS 34 HA LYS 34 -1.893 -10.988 4.015
284 1HB LYS 34 2HB LYS 34 -3.634 -10.474 1.615
285 2HB LYS 34 1HB LYS 34 -2.166 -11.434 1.439
286 1HG LYS 34 2HG LYS 34 -3.813 -12.168 3.770
287 2HG LYS 34 1HG LYS 34 -4.595 -12.448 2.214
288 1HD LYS 34 2HD LYS 34 -2.223 -13.470 1.591
289 2HD LYS 34 1HD LYS 34 -2.113 -13.686 3.338
290 1HE LYS 34 2HE LYS 34 -4.719 -14.505 2.594
291 2HE LYS 34 1HE LYS 34 -3.614 -15.233 1.427
292 1HZ LYS 34 1HZ LYS 34 -2.452 -16.328 3.086
293 2HZ LYS 34 2HZ LYS 34 -4.063 -16.462 3.611
294 3HZ LYS 34 3HZ LYS 34 -3.027 -15.313 4.317
295 H ILE 35 H ILE 35 -2.324 -8.103 1.947
296 HA ILE 35 HA ILE 35 0.332 -8.176 0.885
297 HB ILE 35 HB ILE 35 -1.622 -5.908 1.294
298 1HG1 ILE 35 2HG1 ILE 35 -0.871 -7.814 -0.886
299 2HG1 ILE 35 1HG1 ILE 35 -2.452 -7.167 -0.463
300 1HG2 ILE 35 1HG2 ILE 35 0.667 -5.007 1.403
301 2HG2 ILE 35 2HG2 ILE 35 -0.092 -4.560 -0.125
302 3HG2 ILE 35 3HG2 ILE 35 1.088 -5.869 -0.078
303 1HD1 ILE 35 1HD1 ILE 35 -0.396 -6.086 -2.300
304 2HD1 ILE 35 2HD1 ILE 35 -1.193 -4.893 -1.275
305 3HD1 ILE 35 3HD1 ILE 35 -2.151 -5.914 -2.347
306 H LEU 36 H LEU 36 -0.960 -7.184 3.968
307 HA LEU 36 HA LEU 36 1.073 -5.449 4.873
308 1HB LEU 36 2HB LEU 36 -0.834 -5.876 6.299
309 2HB LEU 36 1HB LEU 36 -0.470 -7.601 6.354
310 HG LEU 36 HG LEU 36 1.787 -6.919 7.386
311 1HD1 LEU 36 1HD1 LEU 36 0.816 -4.559 8.646
312 2HD1 LEU 36 2HD1 LEU 36 0.619 -4.342 6.907
313 3HD1 LEU 36 3HD1 LEU 36 2.208 -4.718 7.575
314 1HD2 LEU 36 1HD2 LEU 36 0.635 -7.800 9.120
315 2HD2 LEU 36 2HD2 LEU 36 -0.883 -7.111 8.547
316 3HD2 LEU 36 3HD2 LEU 36 0.200 -6.147 9.550
317 H ASP 37 H ASP 37 1.019 -8.969 4.544
318 HA ASP 37 HA ASP 37 3.641 -9.334 5.768
319 1HB ASP 37 2HB ASP 37 2.390 -11.246 3.797
320 2HB ASP 37 1HB ASP 37 3.413 -11.611 5.187
321 H LEU 38 H LEU 38 2.379 -8.787 2.532
322 HA LEU 38 HA LEU 38 4.706 -9.408 1.023
323 1HB LEU 38 2HB LEU 38 2.341 -7.599 0.616
324 2HB LEU 38 1HB LEU 38 3.687 -7.537 -0.523
325 HG LEU 38 HG LEU 38 2.644 -10.231 0.223
326 1HD1 LEU 38 1HD1 LEU 38 0.545 -9.811 -0.474
327 2HD1 LEU 38 2HD1 LEU 38 1.198 -9.410 -2.063
328 3HD1 LEU 38 3HD1 LEU 38 0.966 -8.143 -0.860
329 1HD2 LEU 38 1HD2 LEU 38 3.010 -10.332 -2.393
330 2HD2 LEU 38 2HD2 LEU 38 4.400 -10.352 -1.307
331 3HD2 LEU 38 3HD2 LEU 38 3.934 -8.855 -2.114
332 H MET 39 H MET 39 3.786 -6.495 2.823
333 HA MET 39 HA MET 39 6.066 -4.964 1.821
334 1HB MET 39 2HB MET 39 3.894 -4.523 3.837
335 2HB MET 39 1HB MET 39 5.341 -3.517 3.923
336 1HG MET 39 2HG MET 39 3.849 -3.917 1.330
337 2HG MET 39 1HG MET 39 3.403 -2.645 2.467
338 1HE MET 39 1HE MET 39 4.974 -0.587 -0.157
339 2HE MET 39 2HE MET 39 4.415 -0.127 1.449
340 3HE MET 39 3HE MET 39 3.535 -1.350 0.537
341 H ASN 40 H ASN 40 5.224 -6.531 4.920
342 HA ASN 40 HA ASN 40 6.600 -7.178 6.708
343 1HB ASN 40 2HB ASN 40 7.471 -8.711 4.981
344 2HB ASN 40 1HB ASN 40 8.603 -7.467 4.447
345 1HD2 ASN 40 1HD2 ASN 40 10.415 -8.925 5.056
346 2HD2 ASN 40 2HD2 ASN 40 10.847 -9.108 6.687
347 H VAL 41 H VAL 41 6.578 -4.311 5.726
348 HA VAL 41 HA VAL 41 9.279 -3.360 6.424
349 HB VAL 41 HB VAL 41 6.773 -1.724 5.954
350 1HG1 VAL 41 1HG1 VAL 41 8.501 -0.021 5.256
351 2HG1 VAL 41 2HG1 VAL 41 9.741 -1.123 5.855
352 3HG1 VAL 41 3HG1 VAL 41 8.553 -0.444 6.968
353 1HG2 VAL 41 1HG2 VAL 41 7.345 -3.317 4.064
354 2HG2 VAL 41 2HG2 VAL 41 8.890 -2.478 3.922
355 3HG2 VAL 41 3HG2 VAL 41 7.383 -1.608 3.626
356 H ASP 42 H ASP 42 9.586 -1.820 8.218
357 HA ASP 42 HA ASP 42 8.031 -2.645 10.585
358 1HB ASP 42 2HB ASP 42 9.734 -1.109 11.750
359 2HB ASP 42 1HB ASP 42 10.380 -2.556 10.973
360 H LYS 43 H LYS 43 6.855 -1.151 11.890
361 HA LYS 43 HA LYS 43 5.703 0.852 12.382
362 1HB LYS 43 2HB LYS 43 7.918 1.868 11.402
363 2HB LYS 43 1HB LYS 43 6.923 2.178 9.979
364 1HG LYS 43 2HG LYS 43 5.563 3.692 11.088
365 2HG LYS 43 1HG LYS 43 5.850 2.953 12.665
366 1HD LYS 43 2HD LYS 43 8.302 3.994 11.454
367 2HD LYS 43 1HD LYS 43 7.087 5.247 11.709
368 1HE LYS 43 2HE LYS 43 7.014 3.672 14.035
369 2HE LYS 43 1HE LYS 43 8.728 3.875 13.666
370 1HZ LYS 43 1HZ LYS 43 6.697 5.925 14.237
371 2HZ LYS 43 2HZ LYS 43 8.047 6.322 13.285
372 3HZ LYS 43 3HZ LYS 43 8.261 5.758 14.873
373 H LEU 44 H LEU 44 5.495 -0.999 9.620
374 HA LEU 44 HA LEU 44 3.197 0.548 8.526
375 1HB LEU 44 2HB LEU 44 5.031 -1.551 7.435
376 2HB LEU 44 1HB LEU 44 3.397 -1.445 6.776
377 HG LEU 44 HG LEU 44 5.312 0.896 6.988
378 1HD1 LEU 44 1HD1 LEU 44 5.049 -1.241 5.019
379 2HD1 LEU 44 2HD1 LEU 44 6.290 0.004 5.158
380 3HD1 LEU 44 3HD1 LEU 44 4.786 0.349 4.302
381 1HD2 LEU 44 1HD2 LEU 44 2.491 0.514 6.069
382 2HD2 LEU 44 2HD2 LEU 44 3.502 1.649 5.175
383 3HD2 LEU 44 3HD2 LEU 44 3.222 1.888 6.900
384 H THR 45 H THR 45 1.547 0.029 9.999
385 HA THR 45 HA THR 45 1.054 -2.815 10.633
386 HB THR 45 HB THR 45 -0.808 -1.866 12.036
387 HG1 THR 45 1HG THR 45 0.314 0.657 11.613
388 1HG2 THR 45 1HG2 THR 45 0.811 -1.901 13.593
389 2HG2 THR 45 2HG2 THR 45 1.219 -0.241 13.160
390 3HG2 THR 45 3HG2 THR 45 2.038 -1.587 12.367
391 H ARG 46 H ARG 46 -1.458 -3.358 10.562
392 HA ARG 46 HA ARG 46 -2.209 -3.283 7.761
393 1HB ARG 46 2HB ARG 46 -4.070 -4.066 10.002
394 2HB ARG 46 1HB ARG 46 -3.980 -4.719 8.366
395 1HG ARG 46 2HG ARG 46 -2.566 -6.317 9.070
396 2HG ARG 46 1HG ARG 46 -1.428 -5.081 9.609
397 1HD ARG 46 2HD ARG 46 -3.727 -6.252 11.200
398 2HD ARG 46 1HD ARG 46 -2.006 -6.456 11.519
399 HE ARG 46 HE ARG 46 -3.120 -3.703 11.581
400 1HH1 ARG 46 1HH1 ARG 46 -4.017 -5.125 14.004
401 2HH1 ARG 46 2HH1 ARG 46 -2.699 -4.893 15.103
402 1HH2 ARG 46 1HH2 ARG 46 -0.450 -3.973 12.628
403 2HH2 ARG 46 2HH2 ARG 46 -0.679 -4.241 14.324
404 H GLU 47 H GLU 47 -2.807 -1.250 10.478
405 HA GLU 47 HA GLU 47 -5.295 -0.110 9.453
406 1HB GLU 47 2HB GLU 47 -3.828 -0.012 11.886
407 2HB GLU 47 1HB GLU 47 -3.942 1.645 11.287
408 1HG GLU 47 2HG GLU 47 -6.246 1.691 11.438
409 2HG GLU 47 1HG GLU 47 -6.402 -0.047 11.177
410 H ASN 48 H ASN 48 -1.852 0.669 9.317
411 HA ASN 48 HA ASN 48 -2.237 3.292 8.139
412 1HB ASN 48 2HB ASN 48 0.080 1.449 8.588
413 2HB ASN 48 1HB ASN 48 0.265 2.755 7.415
414 1HD2 ASN 48 1HD2 ASN 48 -0.906 2.250 10.795
415 2HD2 ASN 48 2HD2 ASN 48 -0.343 3.746 11.366
416 H VAL 49 H VAL 49 -1.658 0.030 6.857
417 HA VAL 49 HA VAL 49 -1.566 1.017 4.095
418 HB VAL 49 HB VAL 49 -1.793 -1.831 5.113
419 1HG1 VAL 49 1HG1 VAL 49 -0.687 -0.798 2.492
420 2HG1 VAL 49 2HG1 VAL 49 -2.359 -1.321 2.683
421 3HG1 VAL 49 3HG1 VAL 49 -1.042 -2.470 2.925
422 1HG2 VAL 49 1HG2 VAL 49 0.789 -1.527 4.307
423 2HG2 VAL 49 2HG2 VAL 49 0.265 -1.333 5.980
424 3HG2 VAL 49 3HG2 VAL 49 0.466 0.083 4.949
425 H ALA 50 H ALA 50 -3.925 -0.228 6.336
426 HA ALA 50 HA ALA 50 -5.910 -0.974 4.377
427 1HB ALA 50 1HB ALA 50 -7.474 -0.603 6.429
428 2HB ALA 50 2HB ALA 50 -5.975 -0.362 7.326
429 3HB ALA 50 3HB ALA 50 -6.278 -1.896 6.510
430 H SER 51 H SER 51 -4.843 2.041 5.705
431 HA SER 51 HA SER 51 -7.267 3.536 5.117
432 1HB SER 51 2HB SER 51 -4.449 4.226 5.881
433 2HB SER 51 1HB SER 51 -5.483 5.488 5.217
434 HG SER 51 HG SER 51 -6.984 5.026 6.854
435 H HIS 52 H HIS 52 -4.082 3.225 3.522
436 HA HIS 52 HA HIS 52 -4.611 4.865 1.283
437 1HB HIS 52 2HB HIS 52 -2.388 3.835 1.859
438 2HB HIS 52 1HB HIS 52 -3.005 2.292 1.268
439 HD1 HIS 52 1HD HIS 52 -1.066 5.021 0.124
440 HD2 HIS 52 2HD HIS 52 -4.148 2.795 -1.583
441 HE1 HIS 52 1HE HIS 52 -0.906 5.376 -2.378
442 H LEU 53 H LEU 53 -5.670 1.614 2.033
443 HA LEU 53 HA LEU 53 -6.592 1.004 -0.658
444 1HB LEU 53 2HB LEU 53 -6.051 -0.785 0.954
445 2HB LEU 53 1HB LEU 53 -7.349 -0.229 2.010
446 HG LEU 53 HG LEU 53 -8.887 -0.548 -0.050
447 1HD1 LEU 53 1HD1 LEU 53 -6.401 -1.199 -1.206
448 2HD1 LEU 53 2HD1 LEU 53 -7.994 -1.398 -1.936
449 3HD1 LEU 53 3HD1 LEU 53 -7.260 -2.730 -1.042
450 1HD2 LEU 53 1HD2 LEU 53 -9.446 -2.669 0.736
451 2HD2 LEU 53 2HD2 LEU 53 -8.491 -2.057 2.086
452 3HD2 LEU 53 3HD2 LEU 53 -7.760 -3.157 0.917
453 H GLN 54 H GLN 54 -8.002 2.438 2.241
454 HA GLN 54 HA GLN 54 -10.737 2.363 1.375
455 1HB GLN 54 2HB GLN 54 -9.191 4.013 3.359
456 2HB GLN 54 1HB GLN 54 -10.859 4.439 2.973
457 1HG GLN 54 2HG GLN 54 -10.760 1.616 3.361
458 2HG GLN 54 1HG GLN 54 -9.919 2.370 4.716
459 1HE2 GLN 54 1HE2 GLN 54 -11.163 3.711 6.171
460 2HE2 GLN 54 2HE2 GLN 54 -12.856 3.798 6.093
461 H LYS 55 H LYS 55 -8.055 4.527 0.693
462 HA LYS 55 HA LYS 55 -9.673 6.629 -0.475
463 1HB LYS 55 2HB LYS 55 -6.742 5.960 -0.889
464 2HB LYS 55 1HB LYS 55 -7.527 7.468 -1.361
465 1HG LYS 55 2HG LYS 55 -7.598 8.255 0.780
466 2HG LYS 55 1HG LYS 55 -7.922 6.661 1.461
467 1HD LYS 55 2HD LYS 55 -5.765 6.653 2.133
468 2HD LYS 55 1HD LYS 55 -5.346 6.423 0.434
469 1HE LYS 55 2HE LYS 55 -4.190 8.364 0.678
470 2HE LYS 55 1HE LYS 55 -5.772 9.128 0.525
471 1HZ LYS 55 1HZ LYS 55 -5.732 8.474 3.120
472 2HZ LYS 55 2HZ LYS 55 -5.265 9.991 2.512
473 3HZ LYS 55 3HZ LYS 55 -4.091 8.812 2.856
474 H PHE 56 H PHE 56 -8.517 3.559 -1.576
475 HA PHE 56 HA PHE 56 -8.519 4.126 -4.405
476 1HB PHE 56 2HB PHE 56 -7.415 2.129 -3.376
477 2HB PHE 56 1HB PHE 56 -9.010 1.471 -3.017
478 HD1 PHE 56 1HD PHE 56 -9.471 -0.297 -4.471
479 HD2 PHE 56 2HD PHE 56 -7.614 3.260 -6.005
480 HE1 PHE 56 1HE PHE 56 -9.610 -1.216 -6.770
481 HE2 PHE 56 2HE PHE 56 -7.752 2.341 -8.304
482 HZ PHE 56 HZ PHE 56 -8.750 0.102 -8.687
483 H ARG 57 H ARG 57 -10.997 2.854 -2.170
484 HA ARG 57 HA ARG 57 -13.000 2.373 -4.156
485 1HB ARG 57 2HB ARG 57 -13.240 3.157 -1.232
486 2HB ARG 57 1HB ARG 57 -14.614 2.687 -2.233
487 1HG ARG 57 2HG ARG 57 -14.143 0.516 -1.895
488 2HG ARG 57 1HG ARG 57 -12.529 0.745 -2.568
489 1HD ARG 57 2HD ARG 57 -11.958 1.761 -0.236
490 2HD ARG 57 1HD ARG 57 -13.416 0.929 0.303
491 HE ARG 57 HE ARG 57 -11.009 -0.380 0.106
492 1HH1 ARG 57 1HH2 ARG 57 -11.529 -1.038 -2.712
493 2HH1 ARG 57 2HH2 ARG 57 -12.462 -2.493 -2.612
494 1HH2 ARG 57 1HH1 ARG 57 -13.281 -2.054 0.729
495 2HH2 ARG 57 2HH1 ARG 57 -13.454 -3.068 -0.664
496 H VAL 58 H VAL 58 -12.180 5.275 -2.258
497 HA VAL 58 HA VAL 58 -14.282 6.917 -3.340
498 HB VAL 58 HB VAL 58 -11.581 7.595 -2.137
499 1HG1 VAL 58 1HG1 VAL 58 -13.856 9.451 -2.905
500 2HG1 VAL 58 2HG1 VAL 58 -12.284 9.374 -3.700
501 3HG1 VAL 58 3HG1 VAL 58 -12.400 9.922 -2.028
502 1HG2 VAL 58 1HG2 VAL 58 -14.397 7.325 -1.155
503 2HG2 VAL 58 2HG2 VAL 58 -13.368 8.545 -0.405
504 3HG2 VAL 58 3HG2 VAL 58 -12.889 6.848 -0.374
505 H ALA 59 H ALA 59 -11.073 6.008 -4.401
506 HA ALA 59 HA ALA 59 -11.080 7.896 -6.644
507 1HB ALA 59 1HB ALA 59 -8.908 7.088 -7.134
508 2HB ALA 59 2HB ALA 59 -9.210 5.549 -6.327
509 3HB ALA 59 3HB ALA 59 -8.997 7.018 -5.374
510 H LEU 60 H LEU 60 -12.428 4.892 -5.958
511 HA LEU 60 HA LEU 60 -12.268 3.709 -8.606
512 1HB LEU 60 2HB LEU 60 -13.644 3.111 -6.024
513 2HB LEU 60 1HB LEU 60 -14.311 2.386 -7.484
514 HG LEU 60 HG LEU 60 -11.417 2.184 -6.605
515 1HD1 LEU 60 1HD1 LEU 60 -12.044 0.410 -5.372
516 2HD1 LEU 60 2HD1 LEU 60 -12.795 -0.325 -6.788
517 3HD1 LEU 60 3HD1 LEU 60 -13.729 0.756 -5.755
518 1HD2 LEU 60 1HD2 LEU 60 -11.813 0.228 -8.449
519 2HD2 LEU 60 2HD2 LEU 60 -11.199 1.831 -8.857
520 3HD2 LEU 60 3HD2 LEU 60 -12.911 1.462 -9.065
521 H LYS 61 H LYS 61 -13.733 6.452 -7.679
522 HA LYS 61 HA LYS 61 -15.357 7.778 -8.700
523 1HB LYS 61 2HB LYS 61 -14.750 6.790 -10.857
524 2HB LYS 61 1HB LYS 61 -15.761 5.385 -10.516
525 1HG LYS 61 2HG LYS 61 -17.731 6.552 -10.762
526 2HG LYS 61 1HG LYS 61 -17.002 8.085 -10.283
527 1HD LYS 61 2HD LYS 61 -16.296 6.689 -12.877
528 2HD LYS 61 1HD LYS 61 -17.595 7.878 -12.759
529 1HE LYS 61 2HE LYS 61 -14.974 8.654 -11.584
530 2HE LYS 61 1HE LYS 61 -15.053 8.564 -13.343
531 1HZ LYS 61 1HZ LYS 61 -15.948 10.583 -13.236
532 2HZ LYS 61 2HZ LYS 61 -16.218 10.479 -11.561
533 3HZ LYS 61 3HZ LYS 61 -17.354 9.837 -12.650
534 H LYS 62 H LYS 62 -16.051 6.825 -6.400
535 HA LYS 62 HA LYS 62 -17.766 5.868 -5.052
536 1HB LYS 62 2HB LYS 62 -18.582 8.105 -6.576
537 2HB LYS 62 1HB LYS 62 -19.934 6.973 -6.601
538 1HG LYS 62 2HG LYS 62 -19.689 6.758 -4.096
539 2HG LYS 62 1HG LYS 62 -18.519 8.077 -4.161
540 1HD LYS 62 2HD LYS 62 -20.814 8.882 -3.625
541 2HD LYS 62 1HD LYS 62 -20.201 9.564 -5.132
542 1HE LYS 62 2HE LYS 62 -21.600 8.246 -6.455
543 2HE LYS 62 1HE LYS 62 -21.788 7.016 -5.207
544 1HZ LYS 62 1HZ LYS 62 -23.203 9.534 -5.562
545 2HZ LYS 62 2HZ LYS 62 -22.837 9.097 -3.961
546 3HZ LYS 62 3HZ LYS 62 -23.756 8.055 -4.940
547 H VAL 63 H VAL 63 -17.282 3.647 -6.054
548 HA VAL 63 HA VAL 63 -19.719 2.715 -7.519
549 HB VAL 63 HB VAL 63 -16.839 1.844 -7.884
550 1HG1 VAL 63 1HG1 VAL 63 -18.348 -0.110 -7.875
551 2HG1 VAL 63 2HG1 VAL 63 -17.739 0.208 -9.500
552 3HG1 VAL 63 3HG1 VAL 63 -19.381 0.681 -9.065
553 1HG2 VAL 63 1HG2 VAL 63 -18.734 3.581 -9.322
554 2HG2 VAL 63 2HG2 VAL 63 -17.960 2.372 -10.348
555 3HG2 VAL 63 3HG2 VAL 63 -16.974 3.509 -9.426
556 H SER 64 H SER 64 -20.243 0.412 -7.083
557 HA SER 64 HA SER 64 -19.580 -0.269 -4.264
558 1HB SER 64 2HB SER 64 -21.968 -0.153 -4.841
559 2HB SER 64 1HB SER 64 -21.729 -1.345 -6.117
560 HG SER 64 HG SER 64 -22.188 -2.679 -4.542
Start of MODEL 13
1 1H THR 1 1HT THR 1 20.045 16.341 3.258
2 2H THR 1 2HT THR 1 21.365 15.813 4.190
3 3H THR 1 3HT THR 1 20.193 14.700 3.665
4 HA THR 1 HA THR 1 21.636 16.260 1.646
5 HB THR 1 HB THR 1 23.081 13.892 1.911
6 HG1 THR 1 1HG THR 1 23.768 14.135 4.149
7 1HG2 THR 1 1HG2 THR 1 23.652 16.729 2.794
8 2HG2 THR 1 2HG2 THR 1 24.081 15.976 1.258
9 3HG2 THR 1 3HG2 THR 1 24.882 15.467 2.743
10 H ALA 2 H ALA 2 20.679 12.971 2.709
11 HA ALA 2 HA ALA 2 18.749 12.584 0.663
12 1HB ALA 2 1HB ALA 2 21.418 11.310 0.000
13 2HB ALA 2 2HB ALA 2 20.802 12.760 -0.792
14 3HB ALA 2 3HB ALA 2 19.937 11.232 -0.955
15 H GLN 3 H GLN 3 17.964 10.342 0.637
16 HA GLN 3 HA GLN 3 17.493 8.283 1.660
17 1HB GLN 3 2HB GLN 3 20.218 8.485 2.956
18 2HB GLN 3 1HB GLN 3 19.304 7.026 2.570
19 1HG GLN 3 2HG GLN 3 20.435 8.980 0.546
20 2HG GLN 3 1HG GLN 3 21.107 7.394 0.925
21 1HE2 GLN 3 1HE2 GLN 3 20.109 5.545 -0.026
22 2HE2 GLN 3 2HE2 GLN 3 18.781 5.643 -1.078
23 H LYS 4 H LYS 4 16.105 10.010 2.892
24 HA LYS 4 HA LYS 4 16.513 9.487 5.781
25 1HB LYS 4 2HB LYS 4 17.289 11.913 4.729
26 2HB LYS 4 1HB LYS 4 15.630 12.242 5.228
27 1HG LYS 4 2HG LYS 4 16.458 10.895 7.405
28 2HG LYS 4 1HG LYS 4 18.007 11.560 6.887
29 1HD LYS 4 2HD LYS 4 17.301 13.771 7.152
30 2HD LYS 4 1HD LYS 4 15.594 13.346 7.013
31 1HE LYS 4 2HE LYS 4 15.761 13.685 9.305
32 2HE LYS 4 1HE LYS 4 16.089 11.956 9.208
33 1HZ LYS 4 1HZ LYS 4 18.130 14.111 9.297
34 2HZ LYS 4 2HZ LYS 4 18.458 12.449 9.175
35 3HZ LYS 4 3HZ LYS 4 17.726 13.072 10.575
36 H LYS 5 H LYS 5 14.652 8.174 5.760
37 HA LYS 5 HA LYS 5 12.109 9.606 5.102
38 1HB LYS 5 2HB LYS 5 12.341 7.886 3.469
39 2HB LYS 5 1HB LYS 5 12.890 6.719 4.671
40 1HG LYS 5 2HG LYS 5 10.766 6.069 5.023
41 2HG LYS 5 1HG LYS 5 10.338 7.709 5.508
42 1HD LYS 5 2HD LYS 5 10.408 6.684 2.656
43 2HD LYS 5 1HD LYS 5 8.952 6.956 3.613
44 1HE LYS 5 2HE LYS 5 10.560 9.325 3.732
45 2HE LYS 5 1HE LYS 5 10.385 8.854 2.041
46 1HZ LYS 5 1HZ LYS 5 8.317 9.593 3.989
47 2HZ LYS 5 2HZ LYS 5 7.917 8.515 2.739
48 3HZ LYS 5 3HZ LYS 5 8.492 10.071 2.372
49 HA PRO 6 HA PRO 6 11.664 8.575 9.489
50 1HB PRO 6 2HB PRO 6 9.970 10.683 9.996
51 2HB PRO 6 1HB PRO 6 11.735 10.829 10.014
52 1HG PRO 6 2HG PRO 6 9.795 11.777 7.957
53 2HG PRO 6 1HG PRO 6 11.405 12.401 8.352
54 1HD PRO 6 2HD PRO 6 10.766 10.745 6.147
55 2HD PRO 6 1HD PRO 6 12.400 11.103 6.745
56 H ARG 7 H ARG 7 10.260 6.829 9.651
57 HA ARG 7 HA ARG 7 8.249 5.616 9.615
58 1HB ARG 7 2HB ARG 7 7.551 8.322 10.235
59 2HB ARG 7 1HB ARG 7 6.335 7.682 9.127
60 1HG ARG 7 2HG ARG 7 5.655 7.155 11.400
61 2HG ARG 7 1HG ARG 7 6.141 5.660 10.600
62 1HD ARG 7 2HD ARG 7 7.685 5.304 12.196
63 2HD ARG 7 1HD ARG 7 8.473 6.824 11.770
64 HE ARG 7 HE ARG 7 7.034 7.941 13.446
65 1HH1 ARG 7 1HH2 ARG 7 4.930 5.764 13.578
66 2HH1 ARG 7 2HH2 ARG 7 5.294 5.023 15.101
67 1HH2 ARG 7 1HH1 ARG 7 8.446 6.449 15.340
68 2HH2 ARG 7 2HH1 ARG 7 7.284 5.413 16.099
69 H VAL 8 H VAL 8 8.890 4.742 7.529
70 HA VAL 8 HA VAL 8 8.643 5.751 4.995
71 HB VAL 8 HB VAL 8 8.158 3.057 6.169
72 1HG1 VAL 8 1HG1 VAL 8 7.819 2.302 3.669
73 2HG1 VAL 8 2HG1 VAL 8 7.159 3.926 3.475
74 3HG1 VAL 8 3HG1 VAL 8 6.428 2.808 4.625
75 1HG2 VAL 8 1HG2 VAL 8 9.893 4.127 3.926
76 2HG2 VAL 8 2HG2 VAL 8 9.940 2.476 4.545
77 3HG2 VAL 8 3HG2 VAL 8 10.414 3.821 5.583
78 H LEU 9 H LEU 9 7.033 6.589 3.751
79 HA LEU 9 HA LEU 9 4.222 6.186 4.678
80 1HB LEU 9 2HB LEU 9 5.363 8.526 4.772
81 2HB LEU 9 1HB LEU 9 5.156 8.514 3.022
82 HG LEU 9 HG LEU 9 2.734 8.123 3.306
83 1HD1 LEU 9 1HD1 LEU 9 3.603 7.559 6.018
84 2HD1 LEU 9 2HD1 LEU 9 2.060 7.193 5.246
85 3HD1 LEU 9 3HD1 LEU 9 2.314 8.763 6.008
86 1HD2 LEU 9 1HD2 LEU 9 2.555 10.369 3.327
87 2HD2 LEU 9 2HD2 LEU 9 4.180 10.487 4.000
88 3HD2 LEU 9 3HD2 LEU 9 2.787 10.376 5.076
89 H TRP 10 H TRP 10 5.986 7.163 1.709
90 HA TRP 10 HA TRP 10 5.144 4.971 0.100
91 1HB TRP 10 2HB TRP 10 3.249 7.283 0.268
92 2HB TRP 10 1HB TRP 10 3.524 6.569 -1.318
93 HD1 TRP 10 HD TRP 10 1.094 6.317 1.193
94 HE1 TRP 10 1HE TRP 10 0.060 3.964 1.392
95 HE3 TRP 10 3HE TRP 10 4.585 3.600 -1.359
96 HZ2 TRP 10 2HZ TRP 10 0.638 1.284 0.577
97 HZ3 TRP 10 3HZ TRP 10 4.318 1.152 -1.633
98 HH2 TRP 10 HH TRP 10 2.349 -0.008 -0.668
99 H THR 11 H THR 11 7.511 5.659 -0.164
100 HA THR 11 HA THR 11 7.958 8.041 -1.829
101 HB THR 11 HB THR 11 10.323 7.310 -1.821
102 HG1 THR 11 1HG THR 11 9.115 5.016 -0.803
103 1HG2 THR 11 1HG2 THR 11 9.689 8.652 0.043
104 2HG2 THR 11 2HG2 THR 11 10.604 7.303 0.714
105 3HG2 THR 11 3HG2 THR 11 8.844 7.310 0.812
106 H HIS 12 H HIS 12 9.078 7.812 -3.964
107 HA HIS 12 HA HIS 12 7.621 6.227 -5.793
108 1HB HIS 12 2HB HIS 12 9.150 8.235 -6.265
109 2HB HIS 12 1HB HIS 12 10.486 7.087 -6.223
110 HD1 HIS 12 1HD HIS 12 10.410 8.160 -8.864
111 HD2 HIS 12 2HD HIS 12 7.673 5.196 -7.816
112 HE1 HIS 12 1HE HIS 12 9.587 7.148 -11.034
113 H GLU 13 H GLU 13 10.360 5.440 -3.800
114 HA GLU 13 HA GLU 13 11.042 3.000 -5.281
115 1HB GLU 13 2HB GLU 13 12.603 4.518 -3.852
116 2HB GLU 13 1HB GLU 13 11.928 3.652 -2.477
117 1HG GLU 13 2HG GLU 13 13.792 2.342 -2.992
118 2HG GLU 13 1HG GLU 13 12.511 1.512 -3.876
119 H LEU 14 H LEU 14 9.551 3.807 -2.150
120 HA LEU 14 HA LEU 14 9.041 1.103 -1.356
121 1HB LEU 14 2HB LEU 14 7.675 3.700 -0.600
122 2HB LEU 14 1HB LEU 14 7.406 2.160 0.219
123 HG LEU 14 HG LEU 14 10.058 3.606 -0.039
124 1HD1 LEU 14 1HD1 LEU 14 9.184 2.961 2.628
125 2HD1 LEU 14 2HD1 LEU 14 7.937 3.890 1.798
126 3HD1 LEU 14 3HD1 LEU 14 9.569 4.539 1.947
127 1HD2 LEU 14 1HD2 LEU 14 10.807 1.440 0.059
128 2HD2 LEU 14 2HD2 LEU 14 9.295 0.841 0.742
129 3HD2 LEU 14 3HD2 LEU 14 10.473 1.647 1.779
130 H HIS 15 H HIS 15 7.509 3.171 -3.651
131 HA HIS 15 HA HIS 15 4.933 1.792 -3.600
132 1HB HIS 15 2HB HIS 15 5.288 4.195 -4.354
133 2HB HIS 15 1HB HIS 15 6.042 3.542 -5.809
134 HD1 HIS 15 1HD HIS 15 2.759 3.193 -3.893
135 HD2 HIS 15 2HD HIS 15 4.215 2.927 -7.789
136 HE1 HIS 15 1HE HIS 15 0.749 2.801 -5.384
137 H ASN 16 H ASN 16 8.016 1.344 -5.130
138 HA ASN 16 HA ASN 16 7.088 -0.250 -7.360
139 1HB ASN 16 2HB ASN 16 9.741 0.207 -6.021
140 2HB ASN 16 1HB ASN 16 9.570 -1.102 -7.190
141 1HD2 ASN 16 1HD2 ASN 16 11.258 0.632 -8.202
142 2HD2 ASN 16 2HD2 ASN 16 10.551 1.738 -9.277
143 H LYS 17 H LYS 17 7.827 -0.912 -3.995
144 HA LYS 17 HA LYS 17 7.896 -3.812 -4.375
145 1HB LYS 17 2HB LYS 17 7.703 -2.107 -1.869
146 2HB LYS 17 1HB LYS 17 7.914 -3.859 -1.875
147 1HG LYS 17 2HG LYS 17 10.004 -3.546 -3.226
148 2HG LYS 17 1HG LYS 17 9.818 -1.803 -3.030
149 1HD LYS 17 2HD LYS 17 11.029 -2.055 -1.132
150 2HD LYS 17 1HD LYS 17 9.556 -2.734 -0.439
151 1HE LYS 17 2HE LYS 17 10.841 -4.572 -0.062
152 2HE LYS 17 1HE LYS 17 10.569 -4.901 -1.773
153 1HZ LYS 17 1HZ LYS 17 12.593 -3.615 -2.259
154 2HZ LYS 17 2HZ LYS 17 12.905 -4.985 -1.302
155 3HZ LYS 17 3HZ LYS 17 12.871 -3.440 -0.595
156 H PHE 18 H PHE 18 5.547 -1.397 -3.256
157 HA PHE 18 HA PHE 18 3.543 -3.400 -2.586
158 1HB PHE 18 2HB PHE 18 3.497 -1.203 -1.504
159 2HB PHE 18 1HB PHE 18 3.292 -0.415 -3.067
160 HD1 PHE 18 1HD PHE 18 1.148 -0.187 -4.051
161 HD2 PHE 18 2HD PHE 18 1.707 -2.853 -0.729
162 HE1 PHE 18 1HE PHE 18 -1.306 -0.507 -3.894
163 HE2 PHE 18 2HE PHE 18 -0.749 -3.173 -0.573
164 HZ PHE 18 HZ PHE 18 -2.254 -1.999 -2.156
165 H LEU 19 H LEU 19 4.536 -1.715 -5.461
166 HA LEU 19 HA LEU 19 2.063 -2.172 -6.928
167 1HB LEU 19 2HB LEU 19 4.805 -1.174 -7.575
168 2HB LEU 19 1HB LEU 19 3.827 -1.796 -8.904
169 HG LEU 19 HG LEU 19 2.966 0.358 -6.951
170 1HD1 LEU 19 1HD1 LEU 19 3.899 0.428 -9.831
171 2HD1 LEU 19 2HD1 LEU 19 4.622 1.251 -8.450
172 3HD1 LEU 19 3HD1 LEU 19 3.050 1.767 -9.060
173 1HD2 LEU 19 1HD2 LEU 19 1.214 0.525 -8.968
174 2HD2 LEU 19 2HD2 LEU 19 0.945 -0.558 -7.601
175 3HD2 LEU 19 3HD2 LEU 19 1.600 -1.190 -9.113
176 H ALA 20 H ALA 20 5.228 -3.802 -6.720
177 HA ALA 20 HA ALA 20 4.491 -5.804 -8.693
178 1HB ALA 20 1HB ALA 20 6.818 -5.153 -7.073
179 2HB ALA 20 2HB ALA 20 6.736 -6.032 -8.599
180 3HB ALA 20 3HB ALA 20 6.509 -6.890 -7.075
181 H ALA 21 H ALA 21 4.025 -5.415 -5.264
182 HA ALA 21 HA ALA 21 3.460 -8.238 -4.780
183 1HB ALA 21 1HB ALA 21 2.262 -6.308 -2.913
184 2HB ALA 21 2HB ALA 21 3.991 -6.066 -3.153
185 3HB ALA 21 3HB ALA 21 3.389 -7.626 -2.594
186 H VAL 22 H VAL 22 1.534 -5.298 -5.342
187 HA VAL 22 HA VAL 22 -1.028 -6.579 -5.047
188 HB VAL 22 HB VAL 22 -0.364 -4.209 -6.811
189 1HG1 VAL 22 1HG1 VAL 22 -2.806 -5.525 -5.849
190 2HG1 VAL 22 2HG1 VAL 22 -2.584 -4.417 -7.202
191 3HG1 VAL 22 3HG1 VAL 22 -2.786 -3.785 -5.568
192 1HG2 VAL 22 1HG2 VAL 22 -0.117 -2.879 -4.983
193 2HG2 VAL 22 2HG2 VAL 22 0.297 -4.387 -4.167
194 3HG2 VAL 22 3HG2 VAL 22 -1.346 -3.751 -4.065
195 H ASP 23 H ASP 23 1.023 -5.852 -7.838
196 HA ASP 23 HA ASP 23 -0.691 -6.922 -9.851
197 1HB ASP 23 2HB ASP 23 1.484 -5.529 -10.074
198 2HB ASP 23 1HB ASP 23 2.315 -7.074 -9.961
199 H HIS 24 H HIS 24 1.942 -8.408 -7.981
200 HA HIS 24 HA HIS 24 1.811 -10.976 -9.220
201 1HB HIS 24 2HB HIS 24 3.636 -10.098 -7.681
202 2HB HIS 24 1HB HIS 24 2.558 -10.464 -6.334
203 HD1 HIS 24 1HD HIS 24 4.450 -12.269 -5.658
204 HD2 HIS 24 2HD HIS 24 2.351 -13.075 -9.168
205 HE1 HIS 24 1HE HIS 24 4.864 -14.709 -6.196
206 H LEU 25 H LEU 25 -0.247 -9.470 -6.837
207 HA LEU 25 HA LEU 25 -1.560 -12.104 -6.330
208 1HB LEU 25 2HB LEU 25 -2.118 -9.544 -4.837
209 2HB LEU 25 1HB LEU 25 -2.420 -11.201 -4.316
210 HG LEU 25 HG LEU 25 0.402 -10.429 -4.926
211 1HD1 LEU 25 1HD1 LEU 25 -1.090 -8.783 -3.298
212 2HD1 LEU 25 2HD1 LEU 25 0.656 -9.004 -3.177
213 3HD1 LEU 25 3HD1 LEU 25 -0.425 -9.940 -2.145
214 1HD2 LEU 25 1HD2 LEU 25 -1.035 -12.575 -3.676
215 2HD2 LEU 25 2HD2 LEU 25 0.008 -11.828 -2.466
216 3HD2 LEU 25 3HD2 LEU 25 0.701 -12.448 -3.964
217 H GLY 26 H GLY 26 -1.863 -9.407 -8.280
218 1HA GLY 26 2HA GLY 26 -3.639 -8.840 -9.730
219 2HA GLY 26 1HA GLY 26 -4.610 -10.107 -8.973
220 H VAL 27 H VAL 27 -4.089 -6.759 -9.147
221 HA VAL 27 HA VAL 27 -4.788 -5.786 -6.612
222 HB VAL 27 HB VAL 27 -4.185 -4.312 -8.495
223 1HG1 VAL 27 1HG1 VAL 27 -6.675 -4.012 -9.807
224 2HG1 VAL 27 2HG1 VAL 27 -6.350 -5.744 -9.754
225 3HG1 VAL 27 3HG1 VAL 27 -5.179 -4.649 -10.488
226 1HG2 VAL 27 1HG2 VAL 27 -6.666 -3.014 -8.172
227 2HG2 VAL 27 2HG2 VAL 27 -5.210 -2.767 -7.206
228 3HG2 VAL 27 3HG2 VAL 27 -6.424 -3.938 -6.689
229 H GLU 28 H GLU 28 -6.721 -7.561 -8.858
230 HA GLU 28 HA GLU 28 -9.320 -6.708 -8.011
231 1HB GLU 28 2HB GLU 28 -8.275 -8.600 -9.816
232 2HB GLU 28 1HB GLU 28 -9.256 -9.527 -8.680
233 1HG GLU 28 2HG GLU 28 -10.136 -7.121 -10.299
234 2HG GLU 28 1HG GLU 28 -10.696 -8.783 -10.482
235 H ARG 29 H ARG 29 -7.222 -9.361 -6.879
236 HA ARG 29 HA ARG 29 -8.996 -9.573 -4.477
237 1HB ARG 29 2HB ARG 29 -7.348 -11.651 -5.928
238 2HB ARG 29 1HB ARG 29 -7.952 -11.907 -4.291
239 1HG ARG 29 2HG ARG 29 -9.982 -12.446 -5.093
240 2HG ARG 29 1HG ARG 29 -10.088 -10.890 -5.917
241 1HD ARG 29 2HD ARG 29 -10.105 -12.187 -7.796
242 2HD ARG 29 1HD ARG 29 -8.358 -12.186 -7.561
243 HE ARG 29 HE ARG 29 -8.741 -14.366 -6.268
244 1HH1 ARG 29 1HH2 ARG 29 -9.016 -14.601 -9.296
245 2HH1 ARG 29 2HH2 ARG 29 -10.471 -15.531 -9.428
246 1HH2 ARG 29 1HH1 ARG 29 -11.450 -14.958 -6.152
247 2HH2 ARG 29 2HH1 ARG 29 -11.848 -15.733 -7.649
248 H ALA 30 H ALA 30 -6.355 -8.010 -5.240
249 HA ALA 30 HA ALA 30 -4.484 -9.043 -3.229
250 1HB ALA 30 1HB ALA 30 -2.972 -7.806 -4.354
251 2HB ALA 30 2HB ALA 30 -3.932 -6.341 -4.152
252 3HB ALA 30 3HB ALA 30 -4.253 -7.426 -5.504
253 H VAL 31 H VAL 31 -4.755 -8.595 -1.102
254 HA VAL 31 HA VAL 31 -6.251 -6.120 -0.360
255 HB VAL 31 HB VAL 31 -6.254 -7.350 1.945
256 1HG1 VAL 31 1HG1 VAL 31 -8.011 -9.043 0.582
257 2HG1 VAL 31 2HG1 VAL 31 -7.903 -7.613 -0.444
258 3HG1 VAL 31 3HG1 VAL 31 -8.397 -7.454 1.242
259 1HG2 VAL 31 1HG2 VAL 31 -6.090 -9.845 0.316
260 2HG2 VAL 31 2HG2 VAL 31 -5.670 -9.580 2.009
261 3HG2 VAL 31 3HG2 VAL 31 -4.567 -9.060 0.735
262 HA PRO 32 HA PRO 32 -2.607 -4.400 1.375
263 1HB PRO 32 2HB PRO 32 -3.689 -2.968 3.462
264 2HB PRO 32 1HB PRO 32 -3.820 -2.476 1.764
265 1HG PRO 32 2HG PRO 32 -5.898 -3.678 3.537
266 2HG PRO 32 1HG PRO 32 -6.099 -2.613 2.136
267 1HD PRO 32 2HD PRO 32 -6.492 -5.410 2.144
268 2HD PRO 32 1HD PRO 32 -6.327 -4.388 0.700
269 H LYS 33 H LYS 33 -4.752 -6.244 3.449
270 HA LYS 33 HA LYS 33 -3.008 -6.384 5.736
271 1HB LYS 33 2HB LYS 33 -5.300 -6.925 6.085
272 2HB LYS 33 1HB LYS 33 -5.315 -8.063 4.742
273 1HG LYS 33 2HG LYS 33 -3.338 -8.634 6.876
274 2HG LYS 33 1HG LYS 33 -5.032 -8.835 7.326
275 1HD LYS 33 2HD LYS 33 -4.892 -9.983 4.797
276 2HD LYS 33 1HD LYS 33 -3.380 -10.477 5.560
277 1HE LYS 33 2HE LYS 33 -5.086 -12.129 6.079
278 2HE LYS 33 1HE LYS 33 -4.693 -11.241 7.551
279 1HZ LYS 33 1HZ LYS 33 -6.971 -11.186 7.563
280 2HZ LYS 33 2HZ LYS 33 -7.101 -11.085 5.871
281 3HZ LYS 33 3HZ LYS 33 -6.627 -9.724 6.772
282 H LYS 34 H LYS 34 -3.644 -8.669 3.053
283 HA LYS 34 HA LYS 34 -1.547 -10.483 3.870
284 1HB LYS 34 2HB LYS 34 -3.031 -10.114 1.252
285 2HB LYS 34 1HB LYS 34 -1.836 -11.385 1.511
286 1HG LYS 34 2HG LYS 34 -3.168 -12.175 3.474
287 2HG LYS 34 1HG LYS 34 -4.399 -10.976 3.077
288 1HD LYS 34 2HD LYS 34 -4.439 -12.037 0.735
289 2HD LYS 34 1HD LYS 34 -3.541 -13.374 1.453
290 1HE LYS 34 2HE LYS 34 -6.260 -12.358 2.328
291 2HE LYS 34 1HE LYS 34 -5.923 -13.888 1.519
292 1HZ LYS 34 1HZ LYS 34 -6.164 -14.143 3.924
293 2HZ LYS 34 2HZ LYS 34 -4.855 -13.088 4.171
294 3HZ LYS 34 3HZ LYS 34 -4.613 -14.582 3.400
295 H ILE 35 H ILE 35 -1.731 -7.824 1.499
296 HA ILE 35 HA ILE 35 0.936 -8.216 0.505
297 HB ILE 35 HB ILE 35 -0.900 -5.817 0.555
298 1HG1 ILE 35 2HG1 ILE 35 -0.157 -8.003 -1.344
299 2HG1 ILE 35 1HG1 ILE 35 -1.726 -7.258 -1.061
300 1HG2 ILE 35 1HG2 ILE 35 1.868 -6.078 -0.671
301 2HG2 ILE 35 2HG2 ILE 35 1.406 -4.986 0.634
302 3HG2 ILE 35 3HG2 ILE 35 0.752 -4.749 -0.987
303 1HD1 ILE 35 1HD1 ILE 35 0.428 -6.478 -2.937
304 2HD1 ILE 35 2HD1 ILE 35 -0.354 -5.143 -2.092
305 3HD1 ILE 35 3HD1 ILE 35 -1.315 -6.252 -3.070
306 H LEU 36 H LEU 36 -0.367 -6.770 3.391
307 HA LEU 36 HA LEU 36 1.738 -5.044 4.136
308 1HB LEU 36 2HB LEU 36 -0.235 -5.179 5.532
309 2HB LEU 36 1HB LEU 36 0.035 -6.897 5.833
310 HG LEU 36 HG LEU 36 2.259 -6.250 6.875
311 1HD1 LEU 36 1HD1 LEU 36 1.561 -3.605 7.640
312 2HD1 LEU 36 2HD1 LEU 36 1.408 -3.689 5.885
313 3HD1 LEU 36 3HD1 LEU 36 2.935 -4.115 6.658
314 1HD2 LEU 36 1HD2 LEU 36 -0.221 -6.468 7.975
315 2HD2 LEU 36 2HD2 LEU 36 0.205 -4.831 8.475
316 3HD2 LEU 36 3HD2 LEU 36 1.239 -6.187 8.921
317 H ASP 37 H ASP 37 1.455 -8.571 4.329
318 HA ASP 37 HA ASP 37 4.024 -8.928 5.649
319 1HB ASP 37 2HB ASP 37 2.316 -10.842 4.022
320 2HB ASP 37 1HB ASP 37 3.752 -11.313 4.931
321 H LEU 38 H LEU 38 2.861 -8.796 2.323
322 HA LEU 38 HA LEU 38 5.178 -9.708 0.972
323 1HB LEU 38 2HB LEU 38 2.922 -7.848 0.289
324 2HB LEU 38 1HB LEU 38 4.302 -7.956 -0.806
325 HG LEU 38 HG LEU 38 3.127 -10.512 0.185
326 1HD1 LEU 38 1HD1 LEU 38 1.697 -10.126 -2.102
327 2HD1 LEU 38 2HD1 LEU 38 1.690 -8.492 -1.436
328 3HD1 LEU 38 3HD1 LEU 38 1.053 -9.836 -0.488
329 1HD2 LEU 38 1HD2 LEU 38 3.547 -10.736 -2.492
330 2HD2 LEU 38 2HD2 LEU 38 4.806 -11.017 -1.290
331 3HD2 LEU 38 3HD2 LEU 38 4.694 -9.456 -2.102
332 H MET 39 H MET 39 4.426 -6.584 2.437
333 HA MET 39 HA MET 39 6.664 -5.184 1.252
334 1HB MET 39 2HB MET 39 4.746 -4.657 3.492
335 2HB MET 39 1HB MET 39 6.220 -3.693 3.403
336 1HG MET 39 2HG MET 39 4.397 -4.073 1.021
337 2HG MET 39 1HG MET 39 4.186 -2.750 2.169
338 1HE MET 39 1HE MET 39 4.236 -1.291 0.221
339 2HE MET 39 2HE MET 39 5.707 -0.418 -0.202
340 3HE MET 39 3HE MET 39 5.142 -0.421 1.466
341 H ASN 40 H ASN 40 6.154 -6.822 4.376
342 HA ASN 40 HA ASN 40 7.713 -7.514 5.990
343 1HB ASN 40 2HB ASN 40 8.492 -8.705 3.812
344 2HB ASN 40 1HB ASN 40 9.780 -7.500 3.795
345 1HD2 ASN 40 1HD2 ASN 40 11.528 -8.901 4.390
346 2HD2 ASN 40 2HD2 ASN 40 11.603 -9.692 5.890
347 H VAL 41 H VAL 41 7.421 -4.611 5.295
348 HA VAL 41 HA VAL 41 10.148 -3.590 5.892
349 HB VAL 41 HB VAL 41 7.585 -2.083 5.284
350 1HG1 VAL 41 1HG1 VAL 41 8.734 -0.262 5.936
351 2HG1 VAL 41 2HG1 VAL 41 9.937 -0.602 4.692
352 3HG1 VAL 41 3HG1 VAL 41 10.138 -1.260 6.315
353 1HG2 VAL 41 1HG2 VAL 41 9.913 -2.229 3.412
354 2HG2 VAL 41 2HG2 VAL 41 8.198 -2.039 3.051
355 3HG2 VAL 41 3HG2 VAL 41 8.835 -3.622 3.497
356 H ASP 42 H ASP 42 10.551 -2.358 7.795
357 HA ASP 42 HA ASP 42 8.801 -3.053 10.052
358 1HB ASP 42 2HB ASP 42 10.551 -1.985 11.426
359 2HB ASP 42 1HB ASP 42 11.260 -3.149 10.305
360 H LYS 43 H LYS 43 7.707 -1.506 11.354
361 HA LYS 43 HA LYS 43 6.716 0.570 11.877
362 1HB LYS 43 2HB LYS 43 9.092 1.369 10.902
363 2HB LYS 43 1HB LYS 43 8.048 1.989 9.621
364 1HG LYS 43 2HG LYS 43 7.925 3.784 11.055
365 2HG LYS 43 1HG LYS 43 6.619 2.814 11.736
366 1HD LYS 43 2HD LYS 43 9.422 2.367 12.709
367 2HD LYS 43 1HD LYS 43 8.518 3.759 13.309
368 1HE LYS 43 2HE LYS 43 6.608 1.986 13.693
369 2HE LYS 43 1HE LYS 43 7.943 0.834 13.665
370 1HZ LYS 43 1HZ LYS 43 7.545 1.573 15.904
371 2HZ LYS 43 2HZ LYS 43 7.698 3.200 15.441
372 3HZ LYS 43 3HZ LYS 43 9.045 2.167 15.380
373 H LEU 44 H LEU 44 6.444 -1.180 9.081
374 HA LEU 44 HA LEU 44 4.401 0.622 7.880
375 1HB LEU 44 2HB LEU 44 6.018 -1.695 6.896
376 2HB LEU 44 1HB LEU 44 4.436 -1.424 6.166
377 HG LEU 44 HG LEU 44 6.716 0.569 6.331
378 1HD1 LEU 44 1HD1 LEU 44 7.291 -0.364 4.361
379 2HD1 LEU 44 2HD1 LEU 44 5.770 0.239 3.702
380 3HD1 LEU 44 3HD1 LEU 44 5.856 -1.390 4.372
381 1HD2 LEU 44 1HD2 LEU 44 5.064 2.120 6.298
382 2HD2 LEU 44 2HD2 LEU 44 3.824 0.906 5.979
383 3HD2 LEU 44 3HD2 LEU 44 4.758 1.586 4.646
384 H THR 45 H THR 45 2.419 0.341 8.813
385 HA THR 45 HA THR 45 1.645 -2.366 9.755
386 HB THR 45 HB THR 45 -0.229 -1.223 10.854
387 HG1 THR 45 1HG THR 45 0.130 1.247 10.630
388 1HG2 THR 45 1HG2 THR 45 1.541 0.717 11.837
389 2HG2 THR 45 2HG2 THR 45 2.572 -0.607 11.294
390 3HG2 THR 45 3HG2 THR 45 1.298 -0.908 12.478
391 H ARG 46 H ARG 46 -0.782 -2.893 9.299
392 HA ARG 46 HA ARG 46 -1.121 -2.905 6.405
393 1HB ARG 46 2HB ARG 46 -3.142 -4.221 6.868
394 2HB ARG 46 1HB ARG 46 -1.789 -4.835 7.818
395 1HG ARG 46 2HG ARG 46 -2.600 -3.881 9.816
396 2HG ARG 46 1HG ARG 46 -3.663 -2.765 8.956
397 1HD ARG 46 2HD ARG 46 -5.236 -4.426 8.473
398 2HD ARG 46 1HD ARG 46 -4.063 -5.729 8.661
399 HE ARG 46 HE ARG 46 -4.859 -4.161 11.062
400 1HH1 ARG 46 1HH1 ARG 46 -6.187 -6.654 9.345
401 2HH1 ARG 46 2HH1 ARG 46 -6.056 -7.849 10.591
402 1HH2 ARG 46 1HH2 ARG 46 -4.065 -5.884 12.638
403 2HH2 ARG 46 2HH2 ARG 46 -4.855 -7.414 12.455
404 H GLU 47 H GLU 47 -2.117 -0.853 8.979
405 HA GLU 47 HA GLU 47 -4.520 0.171 7.694
406 1HB GLU 47 2HB GLU 47 -2.790 1.220 9.950
407 2HB GLU 47 1HB GLU 47 -4.264 2.020 9.405
408 1HG GLU 47 2HG GLU 47 -5.124 -0.567 9.698
409 2HG GLU 47 1HG GLU 47 -3.942 -0.438 11.000
410 H ASN 48 H ASN 48 -1.100 1.058 7.758
411 HA ASN 48 HA ASN 48 -1.387 3.620 6.498
412 1HB ASN 48 2HB ASN 48 0.863 1.660 6.838
413 2HB ASN 48 1HB ASN 48 1.066 3.024 5.738
414 1HD2 ASN 48 1HD2 ASN 48 2.451 2.625 8.342
415 2HD2 ASN 48 2HD2 ASN 48 2.030 3.957 9.306
416 H VAL 49 H VAL 49 -0.986 0.335 5.208
417 HA VAL 49 HA VAL 49 -0.932 1.317 2.442
418 HB VAL 49 HB VAL 49 -1.102 -1.478 3.612
419 1HG1 VAL 49 1HG1 VAL 49 -0.572 -0.705 0.733
420 2HG1 VAL 49 2HG1 VAL 49 -2.169 -1.168 1.319
421 3HG1 VAL 49 3HG1 VAL 49 -0.838 -2.323 1.383
422 1HG2 VAL 49 1HG2 VAL 49 1.146 -1.361 3.721
423 2HG2 VAL 49 2HG2 VAL 49 1.044 0.345 3.283
424 3HG2 VAL 49 3HG2 VAL 49 1.232 -0.878 2.026
425 H ALA 50 H ALA 50 -3.267 0.175 4.759
426 HA ALA 50 HA ALA 50 -5.347 -0.480 2.859
427 1HB ALA 50 1HB ALA 50 -6.776 -0.684 4.747
428 2HB ALA 50 2HB ALA 50 -5.803 0.434 5.702
429 3HB ALA 50 3HB ALA 50 -5.188 -1.177 5.336
430 H SER 51 H SER 51 -4.231 2.468 4.376
431 HA SER 51 HA SER 51 -6.591 4.044 3.822
432 1HB SER 51 2HB SER 51 -3.715 4.909 4.243
433 2HB SER 51 1HB SER 51 -5.111 5.982 4.251
434 HG SER 51 HG SER 51 -4.330 5.136 6.348
435 H HIS 52 H HIS 52 -3.423 3.768 2.168
436 HA HIS 52 HA HIS 52 -4.038 5.501 0.003
437 1HB HIS 52 2HB HIS 52 -1.768 4.516 0.554
438 2HB HIS 52 1HB HIS 52 -2.326 3.007 -0.169
439 HD1 HIS 52 1HD HIS 52 -2.725 2.980 -2.741
440 HD2 HIS 52 2HD HIS 52 -1.251 6.605 -1.305
441 HE1 HIS 52 1HE HIS 52 -1.993 4.309 -4.769
442 H LEU 53 H LEU 53 -4.853 2.134 0.600
443 HA LEU 53 HA LEU 53 -5.872 1.671 -2.097
444 1HB LEU 53 2HB LEU 53 -5.021 -0.179 -0.682
445 2HB LEU 53 1HB LEU 53 -6.326 0.112 0.468
446 HG LEU 53 HG LEU 53 -7.814 -0.125 -1.740
447 1HD1 LEU 53 1HD1 LEU 53 -6.908 -1.437 -3.426
448 2HD1 LEU 53 2HD1 LEU 53 -5.715 -2.172 -2.354
449 3HD1 LEU 53 3HD1 LEU 53 -5.479 -0.525 -2.939
450 1HD2 LEU 53 1HD2 LEU 53 -8.467 -2.149 -0.856
451 2HD2 LEU 53 2HD2 LEU 53 -7.466 -1.595 0.487
452 3HD2 LEU 53 3HD2 LEU 53 -6.809 -2.730 -0.691
453 H GLN 54 H GLN 54 -7.112 2.949 0.895
454 HA GLN 54 HA GLN 54 -9.915 2.531 0.320
455 1HB GLN 54 2HB GLN 54 -8.339 4.188 2.252
456 2HB GLN 54 1HB GLN 54 -10.030 4.610 1.983
457 1HG GLN 54 2HG GLN 54 -9.770 1.748 2.258
458 2HG GLN 54 1HG GLN 54 -9.028 2.554 3.641
459 1HE2 GLN 54 1HE2 GLN 54 -11.923 3.374 1.640
460 2HE2 GLN 54 2HE2 GLN 54 -12.980 3.494 2.963
461 H LYS 55 H LYS 55 -7.635 5.194 -0.276
462 HA LYS 55 HA LYS 55 -9.479 7.113 -1.241
463 1HB LYS 55 2HB LYS 55 -6.576 6.563 -1.691
464 2HB LYS 55 1HB LYS 55 -7.384 7.685 -2.788
465 1HG LYS 55 2HG LYS 55 -7.334 7.882 0.238
466 2HG LYS 55 1HG LYS 55 -6.443 8.908 -0.883
467 1HD LYS 55 2HD LYS 55 -8.787 9.402 -1.919
468 2HD LYS 55 1HD LYS 55 -9.406 8.803 -0.380
469 1HE LYS 55 2HE LYS 55 -8.063 10.455 0.834
470 2HE LYS 55 1HE LYS 55 -7.372 11.032 -0.683
471 1HZ LYS 55 1HZ LYS 55 -10.195 11.204 0.202
472 2HZ LYS 55 2HZ LYS 55 -9.705 11.511 -1.397
473 3HZ LYS 55 3HZ LYS 55 -9.131 12.484 -0.128
474 H PHE 56 H PHE 56 -8.052 4.290 -2.802
475 HA PHE 56 HA PHE 56 -8.978 4.929 -5.464
476 1HB PHE 56 2HB PHE 56 -7.180 3.217 -4.813
477 2HB PHE 56 1HB PHE 56 -8.510 2.142 -4.377
478 HD1 PHE 56 1HD PHE 56 -8.615 0.493 -6.047
479 HD2 PHE 56 2HD PHE 56 -8.194 4.619 -7.165
480 HE1 PHE 56 1HE PHE 56 -8.893 -0.125 -8.433
481 HE2 PHE 56 2HE PHE 56 -8.473 4.001 -9.551
482 HZ PHE 56 HZ PHE 56 -8.823 1.629 -10.185
483 H ARG 57 H ARG 57 -10.286 2.895 -2.833
484 HA ARG 57 HA ARG 57 -12.598 1.945 -4.153
485 1HB ARG 57 2HB ARG 57 -11.624 1.843 -1.560
486 2HB ARG 57 1HB ARG 57 -13.082 2.820 -1.382
487 1HG ARG 57 2HG ARG 57 -14.382 1.000 -1.606
488 2HG ARG 57 1HG ARG 57 -13.614 0.601 -3.144
489 1HD ARG 57 2HD ARG 57 -13.069 -1.268 -1.854
490 2HD ARG 57 1HD ARG 57 -11.647 -0.250 -1.621
491 HE ARG 57 HE ARG 57 -12.213 -0.310 0.656
492 1HH1 ARG 57 1HH1 ARG 57 -14.988 -0.982 -1.227
493 2HH1 ARG 57 2HH1 ARG 57 -16.111 -0.670 0.054
494 1HH2 ARG 57 1HH2 ARG 57 -13.678 0.379 2.290
495 2HH2 ARG 57 2HH2 ARG 57 -15.369 0.100 2.045
496 H VAL 58 H VAL 58 -11.926 5.053 -2.604
497 HA VAL 58 HA VAL 58 -14.579 6.133 -2.880
498 HB VAL 58 HB VAL 58 -11.835 7.362 -2.556
499 1HG1 VAL 58 1HG1 VAL 58 -13.265 8.853 -3.979
500 2HG1 VAL 58 2HG1 VAL 58 -12.872 9.559 -2.412
501 3HG1 VAL 58 3HG1 VAL 58 -14.468 8.863 -2.690
502 1HG2 VAL 58 1HG2 VAL 58 -12.372 7.414 -0.348
503 2HG2 VAL 58 2HG2 VAL 58 -13.613 6.237 -0.776
504 3HG2 VAL 58 3HG2 VAL 58 -14.021 7.950 -0.672
505 H ALA 59 H ALA 59 -11.729 6.028 -4.959
506 HA ALA 59 HA ALA 59 -12.912 7.678 -7.046
507 1HB ALA 59 1HB ALA 59 -10.450 5.972 -6.800
508 2HB ALA 59 2HB ALA 59 -10.576 7.695 -7.154
509 3HB ALA 59 3HB ALA 59 -10.978 6.509 -8.396
510 H LEU 60 H LEU 60 -13.319 4.487 -5.986
511 HA LEU 60 HA LEU 60 -14.227 3.540 -8.652
512 1HB LEU 60 2HB LEU 60 -13.310 2.234 -6.132
513 2HB LEU 60 1HB LEU 60 -14.489 1.364 -7.110
514 HG LEU 60 HG LEU 60 -12.032 2.573 -8.370
515 1HD1 LEU 60 1HD1 LEU 60 -11.148 1.165 -6.615
516 2HD1 LEU 60 2HD1 LEU 60 -11.004 0.281 -8.134
517 3HD1 LEU 60 3HD1 LEU 60 -12.295 -0.118 -7.001
518 1HD2 LEU 60 1HD2 LEU 60 -13.070 1.731 -10.189
519 2HD2 LEU 60 2HD2 LEU 60 -14.293 0.944 -9.189
520 3HD2 LEU 60 3HD2 LEU 60 -12.771 0.121 -9.534
521 H LYS 61 H LYS 61 -15.475 5.048 -5.945
522 HA LYS 61 HA LYS 61 -17.825 3.732 -5.250
523 1HB LYS 61 2HB LYS 61 -17.102 5.936 -4.324
524 2HB LYS 61 1HB LYS 61 -17.606 6.700 -5.832
525 1HG LYS 61 2HG LYS 61 -19.778 5.088 -4.996
526 2HG LYS 61 1HG LYS 61 -19.222 5.955 -3.564
527 1HD LYS 61 2HD LYS 61 -19.278 7.666 -5.931
528 2HD LYS 61 1HD LYS 61 -20.865 6.991 -5.559
529 1HE LYS 61 2HE LYS 61 -20.047 7.687 -3.065
530 2HE LYS 61 1HE LYS 61 -19.222 8.921 -4.019
531 1HZ LYS 61 1HZ LYS 61 -21.963 8.436 -4.788
532 2HZ LYS 61 2HZ LYS 61 -21.140 9.905 -4.559
533 3HZ LYS 61 3HZ LYS 61 -21.782 9.069 -3.225
534 H LYS 62 H LYS 62 -17.537 6.074 -7.928
535 HA LYS 62 HA LYS 62 -20.116 5.560 -9.030
536 1HB LYS 62 2HB LYS 62 -17.677 6.360 -10.632
537 2HB LYS 62 1HB LYS 62 -19.363 6.758 -10.959
538 1HG LYS 62 2HG LYS 62 -19.187 8.615 -9.702
539 2HG LYS 62 1HG LYS 62 -18.721 7.639 -8.308
540 1HD LYS 62 2HD LYS 62 -16.369 7.604 -9.217
541 2HD LYS 62 1HD LYS 62 -16.888 8.762 -10.443
542 1HE LYS 62 2HE LYS 62 -17.233 9.239 -7.474
543 2HE LYS 62 1HE LYS 62 -15.825 9.792 -8.381
544 1HZ LYS 62 1HZ LYS 62 -17.246 11.073 -9.808
545 2HZ LYS 62 2HZ LYS 62 -17.569 11.490 -8.193
546 3HZ LYS 62 3HZ LYS 62 -18.637 10.477 -9.043
547 H VAL 63 H VAL 63 -20.374 3.251 -9.050
548 HA VAL 63 HA VAL 63 -19.144 1.981 -11.427
549 HB VAL 63 HB VAL 63 -17.641 1.347 -9.598
550 1HG1 VAL 63 1HG1 VAL 63 -19.559 -0.259 -8.099
551 2HG1 VAL 63 2HG1 VAL 63 -19.967 1.455 -8.053
552 3HG1 VAL 63 3HG1 VAL 63 -18.381 0.912 -7.508
553 1HG2 VAL 63 1HG2 VAL 63 -19.173 -1.163 -9.783
554 2HG2 VAL 63 2HG2 VAL 63 -17.530 -0.807 -10.316
555 3HG2 VAL 63 3HG2 VAL 63 -18.901 -0.376 -11.339
556 H SER 64 H SER 64 -20.914 1.314 -12.541
557 HA SER 64 HA SER 64 -23.100 0.535 -12.952
558 1HB SER 64 2HB SER 64 -23.525 -1.626 -12.038
559 2HB SER 64 1HB SER 64 -21.771 -1.515 -12.170
560 HG SER 64 HG SER 64 -22.565 -2.287 -10.110
Start of MODEL 14
1 1H THR 1 1HT THR 1 20.777 13.065 -2.259
2 2H THR 1 2HT THR 1 20.918 14.752 -2.111
3 3H THR 1 3HT THR 1 22.195 13.844 -2.769
4 HA THR 1 HA THR 1 21.073 14.914 -4.561
5 HB THR 1 HB THR 1 20.439 11.964 -4.278
6 HG1 THR 1 1HG THR 1 22.475 13.483 -5.523
7 1HG2 THR 1 1HG2 THR 1 18.933 13.096 -5.924
8 2HG2 THR 1 2HG2 THR 1 20.030 11.937 -6.676
9 3HG2 THR 1 3HG2 THR 1 20.364 13.665 -6.785
10 H ALA 2 H ALA 2 18.684 12.557 -3.311
11 HA ALA 2 HA ALA 2 16.615 14.694 -3.638
12 1HB ALA 2 1HB ALA 2 16.157 13.122 -5.354
13 2HB ALA 2 2HB ALA 2 15.048 12.684 -4.054
14 3HB ALA 2 3HB ALA 2 16.523 11.750 -4.308
15 H GLN 3 H GLN 3 17.519 14.862 -1.243
16 HA GLN 3 HA GLN 3 16.990 14.650 1.033
17 1HB GLN 3 2HB GLN 3 14.610 14.673 -0.220
18 2HB GLN 3 1HB GLN 3 14.552 13.041 0.447
19 1HG GLN 3 2HG GLN 3 15.274 14.126 2.675
20 2HG GLN 3 1HG GLN 3 14.822 15.657 1.927
21 1HE2 GLN 3 1HE2 GLN 3 13.309 12.376 1.825
22 2HE2 GLN 3 2HE2 GLN 3 11.775 12.913 2.316
23 H LYS 4 H LYS 4 18.367 13.253 2.036
24 HA LYS 4 HA LYS 4 19.030 10.649 1.377
25 1HB LYS 4 2HB LYS 4 20.071 11.988 3.222
26 2HB LYS 4 1HB LYS 4 18.658 11.640 4.219
27 1HG LYS 4 2HG LYS 4 19.665 9.727 4.850
28 2HG LYS 4 1HG LYS 4 19.473 9.151 3.194
29 1HD LYS 4 2HD LYS 4 21.641 9.768 2.584
30 2HD LYS 4 1HD LYS 4 21.771 10.961 3.877
31 1HE LYS 4 2HE LYS 4 21.440 8.748 5.375
32 2HE LYS 4 1HE LYS 4 22.206 8.017 3.964
33 1HZ LYS 4 1HZ LYS 4 23.370 10.480 5.022
34 2HZ LYS 4 2HZ LYS 4 24.130 9.143 4.302
35 3HZ LYS 4 3HZ LYS 4 23.606 9.059 5.917
36 H LYS 5 H LYS 5 17.758 8.900 1.063
37 HA LYS 5 HA LYS 5 15.076 8.557 1.493
38 1HB LYS 5 2HB LYS 5 16.317 6.839 0.369
39 2HB LYS 5 1HB LYS 5 17.295 6.523 1.801
40 1HG LYS 5 2HG LYS 5 15.082 5.910 2.970
41 2HG LYS 5 1HG LYS 5 14.380 5.870 1.352
42 1HD LYS 5 2HD LYS 5 15.062 3.675 1.485
43 2HD LYS 5 1HD LYS 5 16.560 4.380 0.880
44 1HE LYS 5 2HE LYS 5 16.066 4.275 3.841
45 2HE LYS 5 1HE LYS 5 16.631 2.831 3.000
46 1HZ LYS 5 1HZ LYS 5 18.038 5.263 3.618
47 2HZ LYS 5 2HZ LYS 5 18.228 4.765 2.006
48 3HZ LYS 5 3HZ LYS 5 18.645 3.717 3.276
49 HA PRO 6 HA PRO 6 15.178 8.860 6.015
50 1HB PRO 6 2HB PRO 6 12.705 10.038 6.189
51 2HB PRO 6 1HB PRO 6 14.195 10.943 5.873
52 1HG PRO 6 2HG PRO 6 11.990 10.258 3.998
53 2HG PRO 6 1HG PRO 6 13.166 11.579 3.910
54 1HD PRO 6 2HD PRO 6 13.246 9.132 2.446
55 2HD PRO 6 1HD PRO 6 14.523 10.365 2.525
56 H ARG 7 H ARG 7 14.772 6.862 6.898
57 HA ARG 7 HA ARG 7 13.710 4.733 7.138
58 1HB ARG 7 2HB ARG 7 11.199 5.808 8.018
59 2HB ARG 7 1HB ARG 7 12.518 5.162 8.991
60 1HG ARG 7 2HG ARG 7 12.588 7.975 7.891
61 2HG ARG 7 1HG ARG 7 11.829 7.602 9.438
62 1HD ARG 7 2HD ARG 7 13.871 6.843 10.382
63 2HD ARG 7 1HD ARG 7 14.650 6.727 8.803
64 HE ARG 7 HE ARG 7 14.379 9.310 8.779
65 1HH1 ARG 7 1HH1 ARG 7 16.384 7.722 10.709
66 2HH1 ARG 7 2HH1 ARG 7 16.356 8.814 12.054
67 1HH2 ARG 7 1HH2 ARG 7 13.606 10.584 10.901
68 2HH2 ARG 7 2HH2 ARG 7 14.783 10.433 12.163
69 H VAL 8 H VAL 8 13.259 3.731 5.171
70 HA VAL 8 HA VAL 8 11.427 4.526 3.204
71 HB VAL 8 HB VAL 8 12.476 1.854 4.092
72 1HG1 VAL 8 1HG1 VAL 8 10.016 2.317 2.540
73 2HG1 VAL 8 2HG1 VAL 8 10.586 0.845 3.326
74 3HG1 VAL 8 3HG1 VAL 8 11.188 1.282 1.726
75 1HG2 VAL 8 1HG2 VAL 8 13.817 2.057 2.244
76 2HG2 VAL 8 2HG2 VAL 8 13.469 3.772 2.468
77 3HG2 VAL 8 3HG2 VAL 8 12.555 2.833 1.287
78 H LEU 9 H LEU 9 9.549 5.413 4.229
79 HA LEU 9 HA LEU 9 7.758 3.396 5.516
80 1HB LEU 9 2HB LEU 9 8.582 5.479 6.818
81 2HB LEU 9 1HB LEU 9 7.486 6.385 5.777
82 HG LEU 9 HG LEU 9 5.701 4.643 6.478
83 1HD1 LEU 9 1HD1 LEU 9 6.380 3.989 8.985
84 2HD1 LEU 9 2HD1 LEU 9 7.997 4.018 8.281
85 3HD1 LEU 9 3HD1 LEU 9 6.767 2.944 7.617
86 1HD2 LEU 9 1HD2 LEU 9 6.555 7.105 7.578
87 2HD2 LEU 9 2HD2 LEU 9 6.201 6.058 8.952
88 3HD2 LEU 9 3HD2 LEU 9 4.962 6.364 7.735
89 H TRP 10 H TRP 10 8.123 5.813 3.019
90 HA TRP 10 HA TRP 10 5.918 4.771 1.488
91 1HB TRP 10 2HB TRP 10 5.451 7.153 3.237
92 2HB TRP 10 1HB TRP 10 4.751 7.170 1.619
93 HD1 TRP 10 HD TRP 10 3.901 6.170 4.977
94 HE1 TRP 10 1HE TRP 10 2.027 4.400 5.007
95 HE3 TRP 10 3HE TRP 10 3.971 4.729 0.078
96 HZ2 TRP 10 2HZ TRP 10 0.728 2.611 3.191
97 HZ3 TRP 10 3HZ TRP 10 2.406 2.993 -0.745
98 HH2 TRP 10 HH TRP 10 0.786 1.932 0.804
99 H THR 11 H THR 11 8.204 4.932 0.391
100 HA THR 11 HA THR 11 8.456 7.614 -0.912
101 HB THR 11 HB THR 11 10.811 6.739 -1.477
102 HG1 THR 11 1HG THR 11 9.960 4.553 -0.659
103 1HG2 THR 11 1HG2 THR 11 11.525 7.111 1.010
104 2HG2 THR 11 2HG2 THR 11 9.813 7.450 1.268
105 3HG2 THR 11 3HG2 THR 11 10.746 8.431 0.138
106 H HIS 12 H HIS 12 9.478 7.354 -3.207
107 HA HIS 12 HA HIS 12 7.669 6.083 -4.925
108 1HB HIS 12 2HB HIS 12 9.437 6.268 -6.663
109 2HB HIS 12 1HB HIS 12 9.292 7.748 -5.715
110 HD1 HIS 12 1HD HIS 12 11.549 4.793 -6.271
111 HD2 HIS 12 2HD HIS 12 11.516 8.312 -4.036
112 HE1 HIS 12 1HE HIS 12 13.886 5.068 -5.335
113 H GLU 13 H GLU 13 10.396 4.733 -3.205
114 HA GLU 13 HA GLU 13 10.584 2.297 -4.760
115 1HB GLU 13 2HB GLU 13 12.331 3.299 -3.148
116 2HB GLU 13 1HB GLU 13 11.365 2.585 -1.857
117 1HG GLU 13 2HG GLU 13 12.081 0.490 -2.329
118 2HG GLU 13 1HG GLU 13 11.880 0.726 -4.066
119 H LEU 14 H LEU 14 9.207 2.990 -1.533
120 HA LEU 14 HA LEU 14 8.045 0.464 -1.068
121 1HB LEU 14 2HB LEU 14 7.471 3.248 -0.148
122 2HB LEU 14 1HB LEU 14 6.247 2.016 0.161
123 HG LEU 14 HG LEU 14 9.166 1.854 0.963
124 1HD1 LEU 14 1HD1 LEU 14 8.339 3.211 2.615
125 2HD1 LEU 14 2HD1 LEU 14 7.735 1.682 3.256
126 3HD1 LEU 14 3HD1 LEU 14 6.669 2.728 2.317
127 1HD2 LEU 14 1HD2 LEU 14 8.528 -0.375 0.604
128 2HD2 LEU 14 2HD2 LEU 14 6.857 -0.074 1.081
129 3HD2 LEU 14 3HD2 LEU 14 8.124 -0.144 2.305
130 H HIS 15 H HIS 15 7.081 3.011 -3.229
131 HA HIS 15 HA HIS 15 4.334 2.155 -3.567
132 1HB HIS 15 2HB HIS 15 5.230 4.440 -4.152
133 2HB HIS 15 1HB HIS 15 6.047 3.701 -5.529
134 HD1 HIS 15 1HD HIS 15 2.918 1.992 -4.940
135 HD2 HIS 15 2HD HIS 15 4.044 5.470 -6.942
136 HE1 HIS 15 1HE HIS 15 1.008 2.570 -6.500
137 H ASN 16 H ASN 16 7.387 1.406 -5.210
138 HA ASN 16 HA ASN 16 6.146 -0.099 -7.347
139 1HB ASN 16 2HB ASN 16 8.973 -0.226 -6.252
140 2HB ASN 16 1HB ASN 16 8.436 -0.936 -7.774
141 1HD2 ASN 16 1HD2 ASN 16 7.804 0.559 -9.523
142 2HD2 ASN 16 2HD2 ASN 16 8.301 2.182 -9.494
143 H LYS 17 H LYS 17 7.055 -0.839 -4.060
144 HA LYS 17 HA LYS 17 7.002 -3.736 -4.457
145 1HB LYS 17 2HB LYS 17 6.908 -2.072 -1.921
146 2HB LYS 17 1HB LYS 17 7.119 -3.823 -1.979
147 1HG LYS 17 2HG LYS 17 9.160 -3.448 -3.414
148 2HG LYS 17 1HG LYS 17 8.992 -1.721 -3.097
149 1HD LYS 17 2HD LYS 17 9.416 -1.981 -0.788
150 2HD LYS 17 1HD LYS 17 9.094 -3.715 -0.837
151 1HE LYS 17 2HE LYS 17 11.174 -4.219 -1.683
152 2HE LYS 17 1HE LYS 17 11.305 -2.692 -2.555
153 1HZ LYS 17 1HZ LYS 17 12.020 -3.328 0.185
154 2HZ LYS 17 2HZ LYS 17 11.274 -1.820 -0.048
155 3HZ LYS 17 3HZ LYS 17 12.703 -2.201 -0.882
156 H PHE 18 H PHE 18 4.787 -1.277 -3.146
157 HA PHE 18 HA PHE 18 2.739 -3.175 -2.412
158 1HB PHE 18 2HB PHE 18 2.796 -0.932 -1.424
159 2HB PHE 18 1HB PHE 18 2.556 -0.206 -3.014
160 HD1 PHE 18 1HD PHE 18 0.399 -0.347 -4.159
161 HD2 PHE 18 2HD PHE 18 0.978 -2.102 -0.282
162 HE1 PHE 18 1HE PHE 18 -2.056 -0.585 -3.900
163 HE2 PHE 18 2HE PHE 18 -1.476 -2.339 -0.023
164 HZ PHE 18 HZ PHE 18 -2.994 -1.580 -1.831
165 H LEU 19 H LEU 19 3.667 -1.659 -5.402
166 HA LEU 19 HA LEU 19 1.100 -2.146 -6.716
167 1HB LEU 19 2HB LEU 19 3.833 -1.343 -7.748
168 2HB LEU 19 1HB LEU 19 2.433 -1.564 -8.799
169 HG LEU 19 HG LEU 19 2.229 0.218 -6.385
170 1HD1 LEU 19 1HD1 LEU 19 2.699 1.839 -8.646
171 2HD1 LEU 19 2HD1 LEU 19 3.976 0.622 -8.656
172 3HD1 LEU 19 3HD1 LEU 19 3.746 1.648 -7.240
173 1HD2 LEU 19 1HD2 LEU 19 0.978 0.720 -9.055
174 2HD2 LEU 19 2HD2 LEU 19 0.333 1.022 -7.442
175 3HD2 LEU 19 3HD2 LEU 19 0.351 -0.618 -8.091
176 H ALA 20 H ALA 20 4.330 -3.663 -6.738
177 HA ALA 20 HA ALA 20 3.542 -5.733 -8.607
178 1HB ALA 20 1HB ALA 20 5.728 -6.406 -6.758
179 2HB ALA 20 2HB ALA 20 5.949 -4.856 -7.569
180 3HB ALA 20 3HB ALA 20 5.734 -6.326 -8.520
181 H ALA 21 H ALA 21 3.198 -5.272 -5.186
182 HA ALA 21 HA ALA 21 2.802 -8.093 -4.564
183 1HB ALA 21 1HB ALA 21 2.929 -5.596 -3.112
184 2HB ALA 21 2HB ALA 21 3.093 -7.239 -2.496
185 3HB ALA 21 3HB ALA 21 1.497 -6.501 -2.623
186 H VAL 22 H VAL 22 0.694 -5.282 -5.143
187 HA VAL 22 HA VAL 22 -1.790 -6.669 -4.760
188 HB VAL 22 HB VAL 22 -1.295 -4.371 -6.669
189 1HG1 VAL 22 1HG1 VAL 22 -3.693 -4.383 -4.999
190 2HG1 VAL 22 2HG1 VAL 22 -3.584 -5.806 -6.035
191 3HG1 VAL 22 3HG1 VAL 22 -3.543 -4.193 -6.746
192 1HG2 VAL 22 1HG2 VAL 22 -2.184 -3.724 -3.948
193 2HG2 VAL 22 2HG2 VAL 22 -0.947 -2.951 -4.940
194 3HG2 VAL 22 3HG2 VAL 22 -0.555 -4.396 -4.009
195 H ASP 23 H ASP 23 0.115 -5.939 -7.667
196 HA ASP 23 HA ASP 23 -1.574 -7.223 -9.560
197 1HB ASP 23 2HB ASP 23 0.520 -5.734 -9.915
198 2HB ASP 23 1HB ASP 23 1.434 -7.226 -9.744
199 H HIS 24 H HIS 24 1.149 -8.448 -7.653
200 HA HIS 24 HA HIS 24 1.245 -11.075 -8.716
201 1HB HIS 24 2HB HIS 24 2.998 -10.270 -7.243
202 2HB HIS 24 1HB HIS 24 1.849 -10.074 -5.919
203 HD1 HIS 24 1HD HIS 24 1.862 -13.078 -8.200
204 HD2 HIS 24 2HD HIS 24 2.931 -12.111 -4.290
205 HE1 HIS 24 1HE HIS 24 2.359 -15.269 -7.031
206 H LEU 25 H LEU 25 -1.067 -9.593 -6.570
207 HA LEU 25 HA LEU 25 -2.262 -12.284 -6.041
208 1HB LEU 25 2HB LEU 25 -2.980 -9.712 -4.631
209 2HB LEU 25 1HB LEU 25 -3.286 -11.365 -4.100
210 HG LEU 25 HG LEU 25 -0.447 -10.560 -4.571
211 1HD1 LEU 25 1HD1 LEU 25 -2.198 -9.104 -2.837
212 2HD1 LEU 25 2HD1 LEU 25 -0.456 -8.921 -3.031
213 3HD1 LEU 25 3HD1 LEU 25 -1.096 -10.053 -1.840
214 1HD2 LEU 25 1HD2 LEU 25 -0.020 -12.206 -2.916
215 2HD2 LEU 25 2HD2 LEU 25 -1.358 -12.874 -3.853
216 3HD2 LEU 25 3HD2 LEU 25 -1.666 -12.120 -2.289
217 H GLY 26 H GLY 26 -2.605 -9.611 -8.035
218 1HA GLY 26 2HA GLY 26 -4.333 -9.297 -9.648
219 2HA GLY 26 1HA GLY 26 -5.334 -10.448 -8.759
220 H VAL 27 H VAL 27 -4.799 -7.165 -9.356
221 HA VAL 27 HA VAL 27 -5.489 -5.872 -6.962
222 HB VAL 27 HB VAL 27 -4.854 -4.780 -9.158
223 1HG1 VAL 27 1HG1 VAL 27 -6.663 -4.302 -10.740
224 2HG1 VAL 27 2HG1 VAL 27 -7.805 -5.191 -9.732
225 3HG1 VAL 27 3HG1 VAL 27 -6.493 -6.045 -10.541
226 1HG2 VAL 27 1HG2 VAL 27 -6.392 -2.816 -8.785
227 2HG2 VAL 27 2HG2 VAL 27 -5.622 -3.407 -7.312
228 3HG2 VAL 27 3HG2 VAL 27 -7.304 -3.815 -7.652
229 H GLU 28 H GLU 28 -7.430 -7.911 -8.954
230 HA GLU 28 HA GLU 28 -10.019 -6.885 -8.231
231 1HB GLU 28 2HB GLU 28 -9.141 -9.654 -9.095
232 2HB GLU 28 1HB GLU 28 -10.826 -9.158 -8.926
233 1HG GLU 28 2HG GLU 28 -10.795 -8.081 -10.907
234 2HG GLU 28 1HG GLU 28 -9.301 -7.236 -10.494
235 H ARG 29 H ARG 29 -8.015 -9.498 -6.844
236 HA ARG 29 HA ARG 29 -9.819 -9.435 -4.456
237 1HB ARG 29 2HB ARG 29 -8.038 -11.720 -5.347
238 2HB ARG 29 1HB ARG 29 -9.250 -11.754 -4.064
239 1HG ARG 29 2HG ARG 29 -10.537 -12.639 -5.748
240 2HG ARG 29 1HG ARG 29 -10.814 -10.930 -6.090
241 1HD ARG 29 2HD ARG 29 -9.892 -11.202 -8.123
242 2HD ARG 29 1HD ARG 29 -8.372 -11.663 -7.358
243 HE ARG 29 HE ARG 29 -10.431 -13.530 -8.377
244 1HH1 ARG 29 1HH2 ARG 29 -7.422 -13.456 -9.011
245 2HH1 ARG 29 2HH2 ARG 29 -6.876 -14.846 -8.135
246 1HH2 ARG 29 1HH1 ARG 29 -9.764 -15.109 -6.233
247 2HH2 ARG 29 2HH1 ARG 29 -8.202 -15.783 -6.562
248 H ALA 30 H ALA 30 -7.127 -8.029 -5.313
249 HA ALA 30 HA ALA 30 -5.198 -8.955 -3.364
250 1HB ALA 30 1HB ALA 30 -4.465 -6.366 -3.886
251 2HB ALA 30 2HB ALA 30 -5.405 -6.762 -5.324
252 3HB ALA 30 3HB ALA 30 -4.012 -7.749 -4.882
253 H VAL 31 H VAL 31 -5.811 -8.870 -1.237
254 HA VAL 31 HA VAL 31 -7.272 -6.489 -0.245
255 HB VAL 31 HB VAL 31 -7.239 -7.836 1.937
256 1HG1 VAL 31 1HG1 VAL 31 -8.756 -8.192 -0.499
257 2HG1 VAL 31 2HG1 VAL 31 -9.310 -8.283 1.173
258 3HG1 VAL 31 3HG1 VAL 31 -8.657 -9.717 0.381
259 1HG2 VAL 31 1HG2 VAL 31 -6.120 -9.798 2.032
260 2HG2 VAL 31 2HG2 VAL 31 -5.368 -9.341 0.503
261 3HG2 VAL 31 3HG2 VAL 31 -6.820 -10.342 0.507
262 HA PRO 32 HA PRO 32 -3.698 -4.679 1.532
263 1HB PRO 32 2HB PRO 32 -4.797 -3.503 3.764
264 2HB PRO 32 1HB PRO 32 -5.025 -2.884 2.119
265 1HG PRO 32 2HG PRO 32 -6.948 -4.374 3.849
266 2HG PRO 32 1HG PRO 32 -7.274 -3.212 2.552
267 1HD PRO 32 2HD PRO 32 -7.472 -6.022 2.334
268 2HD PRO 32 1HD PRO 32 -7.435 -4.875 0.978
269 H LYS 33 H LYS 33 -5.666 -6.767 3.582
270 HA LYS 33 HA LYS 33 -3.817 -6.989 5.764
271 1HB LYS 33 2HB LYS 33 -6.054 -7.732 6.138
272 2HB LYS 33 1HB LYS 33 -6.022 -8.777 4.719
273 1HG LYS 33 2HG LYS 33 -3.958 -9.286 6.806
274 2HG LYS 33 1HG LYS 33 -5.619 -9.730 7.200
275 1HD LYS 33 2HD LYS 33 -5.689 -10.917 4.933
276 2HD LYS 33 1HD LYS 33 -3.939 -10.706 4.881
277 1HE LYS 33 2HE LYS 33 -3.583 -12.111 6.720
278 2HE LYS 33 1HE LYS 33 -5.233 -11.916 7.311
279 1HZ LYS 33 1HZ LYS 33 -5.415 -12.981 4.759
280 2HZ LYS 33 2HZ LYS 33 -5.754 -13.759 6.232
281 3HZ LYS 33 3HZ LYS 33 -4.202 -13.865 5.549
282 H LYS 34 H LYS 34 -4.374 -9.059 2.901
283 HA LYS 34 HA LYS 34 -2.189 -10.834 3.508
284 1HB LYS 34 2HB LYS 34 -3.896 -10.296 1.106
285 2HB LYS 34 1HB LYS 34 -2.403 -11.208 0.884
286 1HG LYS 34 2HG LYS 34 -3.354 -12.481 3.057
287 2HG LYS 34 1HG LYS 34 -4.883 -11.961 2.348
288 1HD LYS 34 2HD LYS 34 -4.735 -13.721 0.949
289 2HD LYS 34 1HD LYS 34 -3.370 -12.907 0.182
290 1HE LYS 34 2HE LYS 34 -1.786 -14.062 1.521
291 2HE LYS 34 1HE LYS 34 -3.018 -14.585 2.668
292 1HZ LYS 34 1HZ LYS 34 -3.493 -16.348 1.428
293 2HZ LYS 34 2HZ LYS 34 -2.092 -16.009 0.531
294 3HZ LYS 34 3HZ LYS 34 -3.600 -15.431 0.006
295 H ILE 35 H ILE 35 -2.450 -7.980 1.356
296 HA ILE 35 HA ILE 35 0.253 -8.145 0.437
297 HB ILE 35 HB ILE 35 -1.614 -5.783 0.721
298 1HG1 ILE 35 2HG1 ILE 35 -0.949 -7.814 -1.373
299 2HG1 ILE 35 1HG1 ILE 35 -2.501 -7.076 -0.989
300 1HG2 ILE 35 1HG2 ILE 35 1.067 -5.940 -0.703
301 2HG2 ILE 35 2HG2 ILE 35 0.779 -5.083 0.812
302 3HG2 ILE 35 3HG2 ILE 35 -0.012 -4.544 -0.669
303 1HD1 ILE 35 1HD1 ILE 35 -2.072 -5.999 -2.981
304 2HD1 ILE 35 2HD1 ILE 35 -0.323 -6.098 -2.779
305 3HD1 ILE 35 3HD1 ILE 35 -1.246 -4.888 -1.887
306 H LEU 36 H LEU 36 -1.152 -7.107 3.427
307 HA LEU 36 HA LEU 36 0.855 -5.379 4.411
308 1HB LEU 36 2HB LEU 36 -1.222 -5.858 5.661
309 2HB LEU 36 1HB LEU 36 -0.683 -7.516 5.928
310 HG LEU 36 HG LEU 36 1.261 -6.708 7.185
311 1HD1 LEU 36 1HD1 LEU 36 1.575 -4.592 5.949
312 2HD1 LEU 36 2HD1 LEU 36 1.493 -4.305 7.687
313 3HD1 LEU 36 3HD1 LEU 36 0.096 -3.955 6.669
314 1HD2 LEU 36 1HD2 LEU 36 -1.523 -6.151 7.931
315 2HD2 LEU 36 2HD2 LEU 36 -0.359 -5.179 8.833
316 3HD2 LEU 36 3HD2 LEU 36 -0.250 -6.939 8.862
317 H ASP 37 H ASP 37 0.761 -8.910 4.145
318 HA ASP 37 HA ASP 37 3.312 -9.254 5.516
319 1HB ASP 37 2HB ASP 37 2.987 -11.522 5.222
320 2HB ASP 37 1HB ASP 37 1.323 -10.983 5.023
321 H LEU 38 H LEU 38 2.224 -8.742 2.222
322 HA LEU 38 HA LEU 38 4.599 -9.448 0.827
323 1HB LEU 38 2HB LEU 38 2.327 -7.549 0.299
324 2HB LEU 38 1HB LEU 38 3.735 -7.531 -0.764
325 HG LEU 38 HG LEU 38 2.525 -10.180 -0.096
326 1HD1 LEU 38 1HD1 LEU 38 1.119 -7.986 -1.451
327 2HD1 LEU 38 2HD1 LEU 38 0.486 -9.512 -0.834
328 3HD1 LEU 38 3HD1 LEU 38 1.233 -9.448 -2.430
329 1HD2 LEU 38 1HD2 LEU 38 3.404 -10.779 -2.215
330 2HD2 LEU 38 2HD2 LEU 38 4.615 -9.690 -1.539
331 3HD2 LEU 38 3HD2 LEU 38 3.478 -9.100 -2.751
332 H MET 39 H MET 39 3.701 -6.567 2.652
333 HA MET 39 HA MET 39 6.102 -5.110 1.783
334 1HB MET 39 2HB MET 39 4.201 -4.408 4.036
335 2HB MET 39 1HB MET 39 5.302 -3.322 3.186
336 1HG MET 39 2HG MET 39 3.046 -4.816 1.823
337 2HG MET 39 1HG MET 39 2.900 -3.164 2.424
338 1HE MET 39 1HE MET 39 4.621 -0.942 0.086
339 2HE MET 39 2HE MET 39 4.711 -1.290 1.811
340 3HE MET 39 3HE MET 39 3.145 -1.272 1.005
341 H ASN 40 H ASN 40 4.901 -6.506 4.853
342 HA ASN 40 HA ASN 40 6.085 -7.110 6.791
343 1HB ASN 40 2HB ASN 40 6.977 -8.751 5.078
344 2HB ASN 40 1HB ASN 40 8.337 -7.654 4.837
345 1HD2 ASN 40 1HD2 ASN 40 6.671 -8.484 7.914
346 2HD2 ASN 40 2HD2 ASN 40 8.054 -9.118 8.668
347 H VAL 41 H VAL 41 6.346 -4.333 5.620
348 HA VAL 41 HA VAL 41 9.052 -3.484 6.360
349 HB VAL 41 HB VAL 41 6.650 -1.713 5.877
350 1HG1 VAL 41 1HG1 VAL 41 9.532 -1.199 5.161
351 2HG1 VAL 41 2HG1 VAL 41 8.933 -0.877 6.788
352 3HG1 VAL 41 3HG1 VAL 41 8.232 -0.032 5.407
353 1HG2 VAL 41 1HG2 VAL 41 7.145 -1.763 3.520
354 2HG2 VAL 41 2HG2 VAL 41 6.994 -3.439 4.049
355 3HG2 VAL 41 3HG2 VAL 41 8.592 -2.736 3.787
356 H ASP 42 H ASP 42 9.528 -2.107 8.170
357 HA ASP 42 HA ASP 42 7.799 -2.630 10.494
358 1HB ASP 42 2HB ASP 42 10.578 -2.144 10.065
359 2HB ASP 42 1HB ASP 42 9.950 -0.981 11.227
360 H LYS 43 H LYS 43 6.893 -0.945 11.789
361 HA LYS 43 HA LYS 43 6.091 1.226 12.251
362 1HB LYS 43 2HB LYS 43 8.441 1.867 11.290
363 2HB LYS 43 1HB LYS 43 7.536 2.289 9.836
364 1HG LYS 43 2HG LYS 43 6.397 4.020 10.880
365 2HG LYS 43 1HG LYS 43 6.551 3.295 12.480
366 1HD LYS 43 2HD LYS 43 8.906 4.388 10.920
367 2HD LYS 43 1HD LYS 43 8.004 5.336 12.103
368 1HE LYS 43 2HE LYS 43 9.459 4.483 13.619
369 2HE LYS 43 1HE LYS 43 8.503 3.007 13.488
370 1HZ LYS 43 1HZ LYS 43 10.438 3.301 11.388
371 2HZ LYS 43 2HZ LYS 43 10.127 1.972 12.399
372 3HZ LYS 43 3HZ LYS 43 11.144 3.225 12.928
373 H LEU 44 H LEU 44 5.582 -0.618 9.534
374 HA LEU 44 HA LEU 44 3.605 1.263 8.351
375 1HB LEU 44 2HB LEU 44 4.970 -1.238 7.414
376 2HB LEU 44 1HB LEU 44 3.409 -0.811 6.713
377 HG LEU 44 HG LEU 44 5.876 0.953 6.788
378 1HD1 LEU 44 1HD1 LEU 44 6.386 -0.119 4.872
379 2HD1 LEU 44 2HD1 LEU 44 4.929 0.580 4.167
380 3HD1 LEU 44 3HD1 LEU 44 4.869 -1.017 4.912
381 1HD2 LEU 44 1HD2 LEU 44 3.033 1.528 6.422
382 2HD2 LEU 44 2HD2 LEU 44 3.996 2.026 5.032
383 3HD2 LEU 44 3HD2 LEU 44 4.382 2.645 6.638
384 H THR 45 H THR 45 1.746 1.181 9.574
385 HA THR 45 HA THR 45 0.817 -1.351 10.730
386 HB THR 45 HB THR 45 -1.129 0.056 11.485
387 HG1 THR 45 1HG THR 45 -0.393 2.428 11.133
388 1HG2 THR 45 1HG2 THR 45 1.215 1.689 12.240
389 2HG2 THR 45 2HG2 THR 45 1.416 -0.048 12.460
390 3HG2 THR 45 3HG2 THR 45 0.089 0.793 13.260
391 H ARG 46 H ARG 46 -1.425 -2.140 10.254
392 HA ARG 46 HA ARG 46 -1.807 -2.449 7.409
393 1HB ARG 46 2HB ARG 46 -3.987 -3.551 8.151
394 2HB ARG 46 1HB ARG 46 -2.511 -4.259 8.808
395 1HG ARG 46 2HG ARG 46 -2.823 -3.219 10.922
396 2HG ARG 46 1HG ARG 46 -4.043 -2.114 10.284
397 1HD ARG 46 2HD ARG 46 -5.607 -3.941 9.956
398 2HD ARG 46 1HD ARG 46 -4.380 -5.125 10.406
399 HE ARG 46 HE ARG 46 -4.655 -3.313 12.573
400 1HH1 ARG 46 1HH2 ARG 46 -7.543 -3.707 11.605
401 2HH1 ARG 46 2HH2 ARG 46 -8.042 -5.027 12.609
402 1HH2 ARG 46 1HH1 ARG 46 -4.816 -5.881 13.547
403 2HH2 ARG 46 2HH1 ARG 46 -6.498 -6.257 13.708
404 H GLU 47 H GLU 47 -2.873 -0.112 9.709
405 HA GLU 47 HA GLU 47 -5.225 0.726 8.183
406 1HB GLU 47 2HB GLU 47 -4.416 1.091 10.784
407 2HB GLU 47 1HB GLU 47 -4.043 2.661 10.068
408 1HG GLU 47 2HG GLU 47 -6.528 2.081 9.001
409 2HG GLU 47 1HG GLU 47 -6.652 1.449 10.643
410 H ASN 48 H ASN 48 -1.821 1.500 8.282
411 HA ASN 48 HA ASN 48 -2.016 4.047 6.929
412 1HB ASN 48 2HB ASN 48 0.167 2.112 7.581
413 2HB ASN 48 1HB ASN 48 0.474 3.300 6.312
414 1HD2 ASN 48 1HD2 ASN 48 -1.765 4.168 8.865
415 2HD2 ASN 48 2HD2 ASN 48 -0.731 5.244 9.672
416 H VAL 49 H VAL 49 -1.489 0.700 5.828
417 HA VAL 49 HA VAL 49 -1.352 1.553 3.022
418 HB VAL 49 HB VAL 49 -1.573 -1.232 4.208
419 1HG1 VAL 49 1HG1 VAL 49 -0.464 -1.767 1.940
420 2HG1 VAL 49 2HG1 VAL 49 -0.990 -0.157 1.447
421 3HG1 VAL 49 3HG1 VAL 49 -2.182 -1.367 1.920
422 1HG2 VAL 49 1HG2 VAL 49 0.597 -1.028 4.776
423 2HG2 VAL 49 2HG2 VAL 49 0.569 0.656 4.255
424 3HG2 VAL 49 3HG2 VAL 49 1.001 -0.615 3.110
425 H ALA 50 H ALA 50 -3.716 0.255 5.269
426 HA ALA 50 HA ALA 50 -5.681 -0.433 3.265
427 1HB ALA 50 1HB ALA 50 -7.251 -0.537 5.173
428 2HB ALA 50 2HB ALA 50 -6.037 0.217 6.207
429 3HB ALA 50 3HB ALA 50 -5.750 -1.389 5.538
430 H SER 51 H SER 51 -4.645 2.523 4.711
431 HA SER 51 HA SER 51 -7.112 3.997 4.255
432 1HB SER 51 2HB SER 51 -4.297 4.709 5.009
433 2HB SER 51 1HB SER 51 -5.375 5.980 4.440
434 HG SER 51 HG SER 51 -5.888 5.935 6.512
435 H HIS 52 H HIS 52 -3.945 3.869 2.591
436 HA HIS 52 HA HIS 52 -4.603 5.614 0.458
437 1HB HIS 52 2HB HIS 52 -2.312 4.872 0.792
438 2HB HIS 52 1HB HIS 52 -2.773 3.194 0.501
439 HD1 HIS 52 1HD HIS 52 -1.308 2.943 -1.614
440 HD2 HIS 52 2HD HIS 52 -4.092 6.033 -1.885
441 HE1 HIS 52 1HE HIS 52 -1.339 3.670 -4.040
442 H LEU 53 H LEU 53 -5.391 2.233 1.001
443 HA LEU 53 HA LEU 53 -6.398 1.815 -1.712
444 1HB LEU 53 2HB LEU 53 -5.528 -0.072 -0.385
445 2HB LEU 53 1HB LEU 53 -6.785 0.192 0.824
446 HG LEU 53 HG LEU 53 -8.388 -0.012 -1.279
447 1HD1 LEU 53 1HD1 LEU 53 -6.908 -0.261 -3.074
448 2HD1 LEU 53 2HD1 LEU 53 -7.303 -1.939 -2.696
449 3HD1 LEU 53 3HD1 LEU 53 -5.781 -1.243 -2.136
450 1HD2 LEU 53 1HD2 LEU 53 -7.193 -2.610 -0.387
451 2HD2 LEU 53 2HD2 LEU 53 -8.889 -2.147 -0.519
452 3HD2 LEU 53 3HD2 LEU 53 -7.917 -1.562 0.830
453 H GLN 54 H GLN 54 -7.674 2.901 1.359
454 HA GLN 54 HA GLN 54 -10.463 2.495 0.755
455 1HB GLN 54 2HB GLN 54 -8.907 4.108 2.741
456 2HB GLN 54 1HB GLN 54 -10.611 4.496 2.499
457 1HG GLN 54 2HG GLN 54 -10.669 1.750 2.646
458 2HG GLN 54 1HG GLN 54 -9.392 2.153 3.793
459 1HE2 GLN 54 1HE2 GLN 54 -9.974 3.419 5.691
460 2HE2 GLN 54 2HE2 GLN 54 -11.594 3.668 6.131
461 H LYS 55 H LYS 55 -8.128 4.934 -0.121
462 HA LYS 55 HA LYS 55 -10.036 6.978 -0.861
463 1HB LYS 55 2HB LYS 55 -7.133 6.471 -1.509
464 2HB LYS 55 1HB LYS 55 -8.020 7.788 -2.276
465 1HG LYS 55 2HG LYS 55 -8.731 8.374 0.183
466 2HG LYS 55 1HG LYS 55 -7.313 7.421 0.621
467 1HD LYS 55 2HD LYS 55 -6.096 9.289 0.258
468 2HD LYS 55 1HD LYS 55 -6.413 9.044 -1.460
469 1HE LYS 55 2HE LYS 55 -8.715 10.247 -0.807
470 2HE LYS 55 1HE LYS 55 -7.695 10.941 0.454
471 1HZ LYS 55 1HZ LYS 55 -6.266 11.008 -1.941
472 2HZ LYS 55 2HZ LYS 55 -6.865 12.320 -1.042
473 3HZ LYS 55 3HZ LYS 55 -7.815 11.621 -2.266
474 H PHE 56 H PHE 56 -8.706 4.154 -2.458
475 HA PHE 56 HA PHE 56 -9.680 4.968 -5.102
476 1HB PHE 56 2HB PHE 56 -7.660 3.462 -4.678
477 2HB PHE 56 1HB PHE 56 -8.809 2.195 -4.243
478 HD1 PHE 56 1HD PHE 56 -8.706 0.648 -6.020
479 HD2 PHE 56 2HD PHE 56 -9.079 4.843 -6.870
480 HE1 PHE 56 1HE PHE 56 -9.042 0.132 -8.422
481 HE2 PHE 56 2HE PHE 56 -9.417 4.326 -9.272
482 HZ PHE 56 HZ PHE 56 -9.398 1.970 -10.048
483 H ARG 57 H ARG 57 -10.581 2.414 -2.736
484 HA ARG 57 HA ARG 57 -12.868 1.475 -4.121
485 1HB ARG 57 2HB ARG 57 -12.620 1.780 -1.108
486 2HB ARG 57 1HB ARG 57 -13.642 0.634 -1.978
487 1HG ARG 57 2HG ARG 57 -11.210 0.052 -3.058
488 2HG ARG 57 1HG ARG 57 -10.737 0.525 -1.425
489 1HD ARG 57 2HD ARG 57 -11.181 -1.849 -1.395
490 2HD ARG 57 1HD ARG 57 -12.502 -1.048 -0.545
491 HE ARG 57 HE ARG 57 -13.962 -1.748 -2.268
492 1HH1 ARG 57 1HH2 ARG 57 -11.477 -3.722 -2.604
493 2HH1 ARG 57 2HH2 ARG 57 -11.446 -3.807 -4.334
494 1HH2 ARG 57 1HH1 ARG 57 -13.579 -1.108 -4.769
495 2HH2 ARG 57 2HH1 ARG 57 -12.635 -2.326 -5.559
496 H VAL 58 H VAL 58 -12.442 4.226 -1.928
497 HA VAL 58 HA VAL 58 -15.205 5.024 -1.872
498 HB VAL 58 HB VAL 58 -12.616 6.546 -1.471
499 1HG1 VAL 58 1HG1 VAL 58 -13.880 8.383 -1.958
500 2HG1 VAL 58 2HG1 VAL 58 -14.532 8.118 -0.340
501 3HG1 VAL 58 3HG1 VAL 58 -15.400 7.512 -1.751
502 1HG2 VAL 58 1HG2 VAL 58 -13.285 6.490 0.878
503 2HG2 VAL 58 2HG2 VAL 58 -13.297 4.849 0.234
504 3HG2 VAL 58 3HG2 VAL 58 -14.814 5.721 0.452
505 H ALA 59 H ALA 59 -12.451 5.863 -3.951
506 HA ALA 59 HA ALA 59 -13.928 7.702 -5.615
507 1HB ALA 59 1HB ALA 59 -12.018 7.619 -7.089
508 2HB ALA 59 2HB ALA 59 -11.475 6.097 -6.380
509 3HB ALA 59 3HB ALA 59 -11.407 7.585 -5.435
510 H LEU 60 H LEU 60 -13.963 4.331 -5.273
511 HA LEU 60 HA LEU 60 -14.960 3.901 -8.044
512 1HB LEU 60 2HB LEU 60 -13.738 2.170 -5.938
513 2HB LEU 60 1HB LEU 60 -14.897 1.420 -7.034
514 HG LEU 60 HG LEU 60 -12.733 3.159 -8.172
515 1HD1 LEU 60 1HD1 LEU 60 -11.146 1.825 -7.262
516 2HD1 LEU 60 2HD1 LEU 60 -11.739 0.578 -8.358
517 3HD1 LEU 60 3HD1 LEU 60 -12.339 0.654 -6.701
518 1HD2 LEU 60 1HD2 LEU 60 -14.090 2.459 -9.898
519 2HD2 LEU 60 2HD2 LEU 60 -14.588 0.995 -9.050
520 3HD2 LEU 60 3HD2 LEU 60 -13.011 1.066 -9.835
521 H LYS 61 H LYS 61 -16.036 4.370 -4.850
522 HA LYS 61 HA LYS 61 -18.453 2.748 -5.031
523 1HB LYS 61 2HB LYS 61 -17.077 4.068 -2.981
524 2HB LYS 61 1HB LYS 61 -18.596 4.951 -3.135
525 1HG LYS 61 2HG LYS 61 -19.156 3.228 -1.642
526 2HG LYS 61 1HG LYS 61 -19.687 2.581 -3.194
527 1HD LYS 61 2HD LYS 61 -17.849 1.127 -3.363
528 2HD LYS 61 1HD LYS 61 -16.898 2.047 -2.196
529 1HE LYS 61 2HE LYS 61 -17.953 -0.185 -1.403
530 2HE LYS 61 1HE LYS 61 -18.131 1.226 -0.362
531 1HZ LYS 61 1HZ LYS 61 -20.174 0.766 -2.402
532 2HZ LYS 61 2HZ LYS 61 -20.325 1.432 -0.846
533 3HZ LYS 61 3HZ LYS 61 -20.180 -0.250 -1.043
534 H LYS 62 H LYS 62 -18.310 6.250 -4.448
535 HA LYS 62 HA LYS 62 -20.781 6.609 -5.988
536 1HB LYS 62 2HB LYS 62 -19.427 8.014 -3.916
537 2HB LYS 62 1HB LYS 62 -19.540 9.104 -5.299
538 1HG LYS 62 2HG LYS 62 -22.002 8.409 -5.453
539 2HG LYS 62 1HG LYS 62 -21.789 7.694 -3.854
540 1HD LYS 62 2HD LYS 62 -20.747 10.066 -3.294
541 2HD LYS 62 1HD LYS 62 -21.734 10.577 -4.664
542 1HE LYS 62 2HE LYS 62 -23.122 8.802 -2.759
543 2HE LYS 62 1HE LYS 62 -22.658 10.368 -2.093
544 1HZ LYS 62 1HZ LYS 62 -24.721 9.753 -3.936
545 2HZ LYS 62 2HZ LYS 62 -23.645 10.880 -4.615
546 3HZ LYS 62 3HZ LYS 62 -24.405 11.213 -3.131
547 H VAL 63 H VAL 63 -19.784 5.875 -8.061
548 HA VAL 63 HA VAL 63 -18.885 8.174 -9.614
549 HB VAL 63 HB VAL 63 -16.758 7.359 -8.559
550 1HG1 VAL 63 1HG1 VAL 63 -17.622 4.917 -8.631
551 2HG1 VAL 63 2HG1 VAL 63 -15.919 5.194 -8.993
552 3HG1 VAL 63 3HG1 VAL 63 -17.066 4.917 -10.305
553 1HG2 VAL 63 1HG2 VAL 63 -17.273 7.350 -11.509
554 2HG2 VAL 63 2HG2 VAL 63 -15.681 6.844 -10.943
555 3HG2 VAL 63 3HG2 VAL 63 -16.288 8.452 -10.548
556 H SER 64 H SER 64 -20.114 7.928 -11.410
557 HA SER 64 HA SER 64 -20.711 5.161 -12.348
558 1HB SER 64 2HB SER 64 -22.691 6.519 -11.935
559 2HB SER 64 1HB SER 64 -22.055 7.815 -12.942
560 HG SER 64 HG SER 64 -23.466 6.587 -14.165
Start of MODEL 15
1 1H THR 1 1HT THR 1 18.142 14.042 9.581
2 2H THR 1 2HT THR 1 19.373 14.791 8.681
3 3H THR 1 3HT THR 1 19.637 13.266 9.382
4 HA THR 1 HA THR 1 17.526 12.674 7.914
5 HB THR 1 HB THR 1 17.692 13.826 5.762
6 HG1 THR 1 1HG THR 1 19.134 15.533 5.530
7 1HG2 THR 1 1HG2 THR 1 17.608 15.886 7.977
8 2HG2 THR 1 2HG2 THR 1 16.279 14.782 7.622
9 3HG2 THR 1 3HG2 THR 1 16.792 15.963 6.416
10 H ALA 2 H ALA 2 19.363 11.098 8.748
11 HA ALA 2 HA ALA 2 21.703 10.801 7.069
12 1HB ALA 2 1HB ALA 2 22.234 9.536 8.861
13 2HB ALA 2 2HB ALA 2 21.146 8.303 8.224
14 3HB ALA 2 3HB ALA 2 20.553 9.485 9.391
15 H GLN 3 H GLN 3 21.985 8.513 5.952
16 HA GLN 3 HA GLN 3 19.911 8.372 3.896
17 1HB GLN 3 2HB GLN 3 22.586 7.110 4.352
18 2HB GLN 3 1HB GLN 3 21.466 6.309 3.249
19 1HG GLN 3 2HG GLN 3 22.005 9.264 3.016
20 2HG GLN 3 1HG GLN 3 23.084 8.088 2.264
21 1HE2 GLN 3 1HE2 GLN 3 21.575 9.860 0.634
22 2HE2 GLN 3 2HE2 GLN 3 20.395 8.969 -0.200
23 H LYS 4 H LYS 4 18.027 7.410 4.543
24 HA LYS 4 HA LYS 4 17.984 4.581 5.089
25 1HB LYS 4 2HB LYS 4 16.822 4.986 7.408
26 2HB LYS 4 1HB LYS 4 18.584 4.962 7.321
27 1HG LYS 4 2HG LYS 4 18.538 7.463 7.056
28 2HG LYS 4 1HG LYS 4 16.801 7.411 7.354
29 1HD LYS 4 2HD LYS 4 17.522 6.028 9.488
30 2HD LYS 4 1HD LYS 4 19.062 6.853 9.241
31 1HE LYS 4 2HE LYS 4 17.520 8.988 9.004
32 2HE LYS 4 1HE LYS 4 16.384 8.008 9.931
33 1HZ LYS 4 1HZ LYS 4 18.290 7.609 11.507
34 2HZ LYS 4 2HZ LYS 4 17.650 9.183 11.497
35 3HZ LYS 4 3HZ LYS 4 19.114 8.853 10.701
36 H LYS 5 H LYS 5 16.653 5.617 3.125
37 HA LYS 5 HA LYS 5 14.530 6.009 2.200
38 1HB LYS 5 2HB LYS 5 13.534 4.773 4.781
39 2HB LYS 5 1HB LYS 5 12.699 4.816 3.228
40 1HG LYS 5 2HG LYS 5 15.058 3.642 2.513
41 2HG LYS 5 1HG LYS 5 14.860 3.027 4.155
42 1HD LYS 5 2HD LYS 5 12.874 2.808 1.876
43 2HD LYS 5 1HD LYS 5 13.752 1.488 2.650
44 1HE LYS 5 2HE LYS 5 11.721 3.288 4.007
45 2HE LYS 5 1HE LYS 5 11.438 1.623 3.497
46 1HZ LYS 5 1HZ LYS 5 12.858 2.628 5.794
47 2HZ LYS 5 2HZ LYS 5 13.693 1.411 4.952
48 3HZ LYS 5 3HZ LYS 5 12.128 1.117 5.546
49 HA PRO 6 HA PRO 6 13.809 9.817 4.547
50 1HB PRO 6 2HB PRO 6 13.395 11.349 2.302
51 2HB PRO 6 1HB PRO 6 15.000 11.002 2.968
52 1HG PRO 6 2HG PRO 6 13.694 9.878 0.537
53 2HG PRO 6 1HG PRO 6 15.418 10.050 0.905
54 1HD PRO 6 2HD PRO 6 13.903 7.658 1.088
55 2HD PRO 6 1HD PRO 6 15.539 7.917 1.731
56 H ARG 7 H ARG 7 11.777 9.782 5.431
57 HA ARG 7 HA ARG 7 9.430 9.497 5.560
58 1HB ARG 7 2HB ARG 7 8.262 11.264 4.278
59 2HB ARG 7 1HB ARG 7 9.716 11.886 5.060
60 1HG ARG 7 2HG ARG 7 10.946 11.867 3.020
61 2HG ARG 7 1HG ARG 7 9.729 10.880 2.210
62 1HD ARG 7 2HD ARG 7 8.516 13.282 3.267
63 2HD ARG 7 1HD ARG 7 9.886 13.695 2.236
64 HE ARG 7 HE ARG 7 8.784 12.458 0.408
65 1HH1 ARG 7 1HH1 ARG 7 6.846 14.529 1.746
66 2HH1 ARG 7 2HH1 ARG 7 5.370 13.626 1.680
67 1HH2 ARG 7 1HH2 ARG 7 6.936 10.612 0.983
68 2HH2 ARG 7 2HH2 ARG 7 5.421 11.407 1.250
69 H VAL 8 H VAL 8 10.208 7.284 4.257
70 HA VAL 8 HA VAL 8 8.975 7.143 1.600
71 HB VAL 8 HB VAL 8 10.483 5.247 3.368
72 1HG1 VAL 8 1HG1 VAL 8 8.391 4.496 1.374
73 2HG1 VAL 8 2HG1 VAL 8 8.900 3.648 2.834
74 3HG1 VAL 8 3HG1 VAL 8 9.889 3.565 1.375
75 1HG2 VAL 8 1HG2 VAL 8 11.350 6.800 1.439
76 2HG2 VAL 8 2HG2 VAL 8 10.684 5.555 0.384
77 3HG2 VAL 8 3HG2 VAL 8 11.947 5.144 1.543
78 H LEU 9 H LEU 9 6.799 7.778 2.207
79 HA LEU 9 HA LEU 9 5.309 5.719 3.774
80 1HB LEU 9 2HB LEU 9 5.242 8.219 4.411
81 2HB LEU 9 1HB LEU 9 4.269 8.434 2.957
82 HG LEU 9 HG LEU 9 2.791 6.536 3.867
83 1HD1 LEU 9 1HD1 LEU 9 4.820 6.674 5.906
84 2HD1 LEU 9 2HD1 LEU 9 3.479 5.538 5.763
85 3HD1 LEU 9 3HD1 LEU 9 3.254 7.067 6.614
86 1HD2 LEU 9 1HD2 LEU 9 2.461 9.147 3.965
87 2HD2 LEU 9 2HD2 LEU 9 2.753 8.927 5.690
88 3HD2 LEU 9 3HD2 LEU 9 1.403 8.100 4.912
89 H TRP 10 H TRP 10 5.596 7.339 0.695
90 HA TRP 10 HA TRP 10 4.264 5.263 -0.750
91 1HB TRP 10 2HB TRP 10 2.614 7.595 0.129
92 2HB TRP 10 1HB TRP 10 2.379 7.003 -1.515
93 HD1 TRP 10 HD TRP 10 0.821 6.573 1.609
94 HE1 TRP 10 1HE TRP 10 -0.199 4.226 1.922
95 HE3 TRP 10 3HE TRP 10 3.244 4.055 -2.115
96 HZ2 TRP 10 2HZ TRP 10 -0.010 1.624 0.748
97 HZ3 TRP 10 3HZ TRP 10 2.806 1.647 -2.495
98 HH2 TRP 10 HH TRP 10 1.183 0.428 -1.071
99 H THR 11 H THR 11 6.516 5.957 -1.567
100 HA THR 11 HA THR 11 6.244 8.246 -3.475
101 HB THR 11 HB THR 11 8.785 8.164 -3.490
102 HG1 THR 11 1HG THR 11 9.778 6.889 -2.061
103 1HG2 THR 11 1HG2 THR 11 8.440 8.714 -0.713
104 2HG2 THR 11 2HG2 THR 11 6.967 9.210 -1.546
105 3HG2 THR 11 3HG2 THR 11 8.526 9.866 -2.047
106 H HIS 12 H HIS 12 7.799 7.842 -5.465
107 HA HIS 12 HA HIS 12 6.772 5.775 -7.040
108 1HB HIS 12 2HB HIS 12 8.158 7.690 -7.875
109 2HB HIS 12 1HB HIS 12 9.586 6.877 -7.236
110 HD1 HIS 12 1HD HIS 12 7.397 6.993 -10.164
111 HD2 HIS 12 2HD HIS 12 10.019 4.218 -8.488
112 HE1 HIS 12 1HE HIS 12 7.870 5.276 -11.964
113 H GLU 13 H GLU 13 9.164 5.604 -4.535
114 HA GLU 13 HA GLU 13 10.295 3.053 -5.374
115 1HB GLU 13 2HB GLU 13 11.362 4.847 -3.839
116 2HB GLU 13 1HB GLU 13 10.355 4.156 -2.567
117 1HG GLU 13 2HG GLU 13 11.848 2.186 -4.195
118 2HG GLU 13 1HG GLU 13 12.845 3.236 -3.186
119 H LEU 14 H LEU 14 8.119 4.040 -2.709
120 HA LEU 14 HA LEU 14 7.510 1.385 -1.866
121 1HB LEU 14 2HB LEU 14 6.300 4.080 -1.468
122 2HB LEU 14 1HB LEU 14 5.289 2.682 -1.104
123 HG LEU 14 HG LEU 14 8.033 3.262 0.042
124 1HD1 LEU 14 1HD1 LEU 14 5.385 2.982 1.478
125 2HD1 LEU 14 2HD1 LEU 14 5.987 4.538 0.907
126 3HD1 LEU 14 3HD1 LEU 14 6.898 3.627 2.113
127 1HD2 LEU 14 1HD2 LEU 14 6.552 0.790 -0.276
128 2HD2 LEU 14 2HD2 LEU 14 6.760 1.167 1.433
129 3HD2 LEU 14 3HD2 LEU 14 8.170 1.034 0.381
130 H HIS 15 H HIS 15 6.423 3.215 -4.590
131 HA HIS 15 HA HIS 15 3.942 1.726 -4.963
132 1HB HIS 15 2HB HIS 15 4.494 4.094 -5.830
133 2HB HIS 15 1HB HIS 15 5.401 3.276 -7.101
134 HD1 HIS 15 1HD HIS 15 2.024 2.422 -5.542
135 HD2 HIS 15 2HD HIS 15 3.690 3.252 -9.272
136 HE1 HIS 15 1HE HIS 15 0.170 2.111 -7.240
137 H ASN 16 H ASN 16 7.284 1.278 -5.804
138 HA ASN 16 HA ASN 16 6.797 -0.541 -8.015
139 1HB ASN 16 2HB ASN 16 9.190 0.195 -6.346
140 2HB ASN 16 1HB ASN 16 9.262 -1.209 -7.412
141 1HD2 ASN 16 1HD2 ASN 16 10.669 -0.276 -9.009
142 2HD2 ASN 16 2HD2 ASN 16 10.209 1.042 -9.975
143 H LYS 17 H LYS 17 7.408 -0.931 -4.532
144 HA LYS 17 HA LYS 17 7.429 -3.840 -4.692
145 1HB LYS 17 2HB LYS 17 7.105 -1.928 -2.359
146 2HB LYS 17 1HB LYS 17 7.211 -3.679 -2.184
147 1HG LYS 17 2HG LYS 17 9.411 -3.565 -3.443
148 2HG LYS 17 1HG LYS 17 9.320 -1.810 -3.286
149 1HD LYS 17 2HD LYS 17 10.063 -1.909 -1.162
150 2HD LYS 17 1HD LYS 17 8.785 -3.047 -0.735
151 1HE LYS 17 2HE LYS 17 10.779 -4.377 -2.344
152 2HE LYS 17 1HE LYS 17 11.545 -3.595 -0.962
153 1HZ LYS 17 1HZ LYS 17 9.914 -5.908 -1.021
154 2HZ LYS 17 2HZ LYS 17 9.223 -4.736 -0.005
155 3HZ LYS 17 3HZ LYS 17 10.813 -5.268 0.266
156 H PHE 18 H PHE 18 5.043 -1.357 -3.832
157 HA PHE 18 HA PHE 18 2.967 -3.223 -3.119
158 1HB PHE 18 2HB PHE 18 2.811 -0.950 -2.333
159 2HB PHE 18 1HB PHE 18 2.894 -0.319 -3.977
160 HD1 PHE 18 1HD PHE 18 0.996 -0.578 -5.529
161 HD2 PHE 18 2HD PHE 18 0.768 -1.925 -1.457
162 HE1 PHE 18 1HE PHE 18 -1.470 -0.755 -5.726
163 HE2 PHE 18 2HE PHE 18 -1.699 -2.100 -1.653
164 HZ PHE 18 HZ PHE 18 -2.817 -1.516 -3.789
165 H LEU 19 H LEU 19 4.184 -2.050 -6.161
166 HA LEU 19 HA LEU 19 1.748 -2.727 -7.638
167 1HB LEU 19 2HB LEU 19 4.513 -1.809 -8.381
168 2HB LEU 19 1HB LEU 19 3.450 -2.476 -9.622
169 HG LEU 19 HG LEU 19 2.601 -0.254 -7.752
170 1HD1 LEU 19 1HD1 LEU 19 4.207 0.905 -8.929
171 2HD1 LEU 19 2HD1 LEU 19 2.893 1.007 -10.101
172 3HD1 LEU 19 3HD1 LEU 19 4.159 -0.207 -10.296
173 1HD2 LEU 19 1HD2 LEU 19 0.808 0.046 -9.369
174 2HD2 LEU 19 2HD2 LEU 19 0.846 -1.650 -8.885
175 3HD2 LEU 19 3HD2 LEU 19 1.522 -1.161 -10.438
176 H ALA 20 H ALA 20 4.983 -4.189 -7.218
177 HA ALA 20 HA ALA 20 4.312 -6.474 -8.889
178 1HB ALA 20 1HB ALA 20 6.436 -7.368 -8.218
179 2HB ALA 20 2HB ALA 20 6.487 -6.343 -6.784
180 3HB ALA 20 3HB ALA 20 6.667 -5.628 -8.386
181 H ALA 21 H ALA 21 3.771 -5.588 -5.596
182 HA ALA 21 HA ALA 21 3.414 -8.310 -4.612
183 1HB ALA 21 1HB ALA 21 3.662 -7.120 -2.705
184 2HB ALA 21 2HB ALA 21 1.996 -6.597 -2.930
185 3HB ALA 21 3HB ALA 21 3.319 -5.601 -3.533
186 H VAL 22 H VAL 22 1.264 -5.669 -5.673
187 HA VAL 22 HA VAL 22 -1.205 -7.066 -5.194
188 HB VAL 22 HB VAL 22 -0.653 -5.024 -7.362
189 1HG1 VAL 22 1HG1 VAL 22 -2.880 -5.026 -7.661
190 2HG1 VAL 22 2HG1 VAL 22 -3.166 -4.844 -5.930
191 3HG1 VAL 22 3HG1 VAL 22 -2.953 -6.451 -6.625
192 1HG2 VAL 22 1HG2 VAL 22 -0.037 -4.646 -4.741
193 2HG2 VAL 22 2HG2 VAL 22 -1.732 -4.160 -4.746
194 3HG2 VAL 22 3HG2 VAL 22 -0.580 -3.355 -5.811
195 H ASP 23 H ASP 23 0.885 -6.758 -8.012
196 HA ASP 23 HA ASP 23 -0.679 -8.220 -9.874
197 1HB ASP 23 2HB ASP 23 1.528 -6.894 -10.195
198 2HB ASP 23 1HB ASP 23 2.323 -8.398 -9.754
199 H HIS 24 H HIS 24 1.756 -9.309 -7.544
200 HA HIS 24 HA HIS 24 1.749 -12.067 -8.275
201 1HB HIS 24 2HB HIS 24 3.487 -11.161 -6.835
202 2HB HIS 24 1HB HIS 24 2.296 -10.755 -5.599
203 HD1 HIS 24 1HD HIS 24 4.515 -13.439 -6.669
204 HD2 HIS 24 2HD HIS 24 0.939 -13.201 -4.538
205 HE1 HIS 24 1HE HIS 24 4.260 -15.643 -5.449
206 H LEU 25 H LEU 25 -0.561 -10.183 -6.465
207 HA LEU 25 HA LEU 25 -1.931 -12.707 -5.635
208 1HB LEU 25 2HB LEU 25 -2.553 -9.940 -4.609
209 2HB LEU 25 1HB LEU 25 -2.947 -11.491 -3.868
210 HG LEU 25 HG LEU 25 -0.062 -10.875 -4.346
211 1HD1 LEU 25 1HD1 LEU 25 -1.490 -9.827 -1.902
212 2HD1 LEU 25 2HD1 LEU 25 -1.252 -8.819 -3.330
213 3HD1 LEU 25 3HD1 LEU 25 0.141 -9.459 -2.462
214 1HD2 LEU 25 1HD2 LEU 25 -1.341 -12.006 -1.866
215 2HD2 LEU 25 2HD2 LEU 25 0.254 -12.340 -2.540
216 3HD2 LEU 25 3HD2 LEU 25 -1.186 -13.008 -3.309
217 H GLY 26 H GLY 26 -2.050 -10.379 -8.021
218 1HA GLY 26 2HA GLY 26 -3.721 -10.113 -9.685
219 2HA GLY 26 1HA GLY 26 -4.793 -11.139 -8.725
220 H VAL 27 H VAL 27 -4.105 -7.946 -9.604
221 HA VAL 27 HA VAL 27 -4.839 -6.415 -7.367
222 HB VAL 27 HB VAL 27 -4.046 -5.501 -9.562
223 1HG1 VAL 27 1HG1 VAL 27 -5.202 -5.883 -11.458
224 2HG1 VAL 27 2HG1 VAL 27 -6.681 -5.246 -10.739
225 3HG1 VAL 27 3HG1 VAL 27 -6.259 -6.947 -10.533
226 1HG2 VAL 27 1HG2 VAL 27 -5.772 -3.574 -9.569
227 2HG2 VAL 27 2HG2 VAL 27 -4.907 -3.879 -8.062
228 3HG2 VAL 27 3HG2 VAL 27 -6.563 -4.453 -8.260
229 H GLU 28 H GLU 28 -6.780 -8.564 -9.236
230 HA GLU 28 HA GLU 28 -9.349 -7.367 -8.779
231 1HB GLU 28 2HB GLU 28 -8.496 -10.225 -9.298
232 2HB GLU 28 1HB GLU 28 -10.187 -9.744 -9.150
233 1HG GLU 28 2HG GLU 28 -10.199 -8.680 -11.170
234 2HG GLU 28 1HG GLU 28 -8.550 -8.084 -10.978
235 H ARG 29 H ARG 29 -7.562 -9.890 -6.983
236 HA ARG 29 HA ARG 29 -9.434 -9.401 -4.697
237 1HB ARG 29 2HB ARG 29 -8.173 -11.884 -5.781
238 2HB ARG 29 1HB ARG 29 -8.407 -11.774 -4.036
239 1HG ARG 29 2HG ARG 29 -10.817 -11.094 -4.536
240 2HG ARG 29 1HG ARG 29 -10.511 -11.590 -6.200
241 1HD ARG 29 2HD ARG 29 -11.537 -13.371 -4.681
242 2HD ARG 29 1HD ARG 29 -10.077 -13.848 -5.548
243 HE ARG 29 HE ARG 29 -9.262 -14.304 -3.384
244 1HH1 ARG 29 1HH2 ARG 29 -11.917 -12.538 -2.638
245 2HH1 ARG 29 2HH2 ARG 29 -11.203 -11.600 -1.369
246 1HH2 ARG 29 1HH1 ARG 29 -7.962 -12.596 -2.093
247 2HH2 ARG 29 2HH1 ARG 29 -8.965 -11.633 -1.061
248 H ALA 30 H ALA 30 -6.611 -8.320 -5.609
249 HA ALA 30 HA ALA 30 -4.729 -9.131 -3.618
250 1HB ALA 30 1HB ALA 30 -4.451 -7.658 -5.793
251 2HB ALA 30 2HB ALA 30 -3.380 -7.413 -4.414
252 3HB ALA 30 3HB ALA 30 -4.744 -6.326 -4.676
253 H VAL 31 H VAL 31 -4.894 -8.836 -1.449
254 HA VAL 31 HA VAL 31 -6.547 -6.553 -0.465
255 HB VAL 31 HB VAL 31 -6.450 -7.854 1.727
256 1HG1 VAL 31 1HG1 VAL 31 -7.900 -9.805 0.552
257 2HG1 VAL 31 2HG1 VAL 31 -7.827 -8.656 -0.784
258 3HG1 VAL 31 3HG1 VAL 31 -8.510 -8.164 0.766
259 1HG2 VAL 31 1HG2 VAL 31 -4.480 -9.275 0.401
260 2HG2 VAL 31 2HG2 VAL 31 -5.873 -10.353 0.293
261 3HG2 VAL 31 3HG2 VAL 31 -5.300 -9.807 1.869
262 HA PRO 32 HA PRO 32 -2.956 -4.631 1.160
263 1HB PRO 32 2HB PRO 32 -4.015 -3.425 3.397
264 2HB PRO 32 1HB PRO 32 -4.295 -2.845 1.746
265 1HG PRO 32 2HG PRO 32 -6.150 -4.324 3.557
266 2HG PRO 32 1HG PRO 32 -6.525 -3.200 2.240
267 1HD PRO 32 2HD PRO 32 -6.685 -6.017 2.093
268 2HD PRO 32 1HD PRO 32 -6.700 -4.901 0.710
269 H LYS 33 H LYS 33 -4.776 -6.821 3.187
270 HA LYS 33 HA LYS 33 -2.897 -6.935 5.373
271 1HB LYS 33 2HB LYS 33 -5.129 -7.716 5.765
272 2HB LYS 33 1HB LYS 33 -5.052 -8.818 4.392
273 1HG LYS 33 2HG LYS 33 -2.950 -9.169 6.457
274 2HG LYS 33 1HG LYS 33 -4.590 -9.614 6.934
275 1HD LYS 33 2HD LYS 33 -4.793 -11.138 5.067
276 2HD LYS 33 1HD LYS 33 -3.262 -10.585 4.387
277 1HE LYS 33 2HE LYS 33 -2.009 -11.794 5.874
278 2HE LYS 33 1HE LYS 33 -3.161 -11.563 7.189
279 1HZ LYS 33 1HZ LYS 33 -2.967 -13.700 5.284
280 2HZ LYS 33 2HZ LYS 33 -4.539 -13.065 5.404
281 3HZ LYS 33 3HZ LYS 33 -3.750 -13.658 6.788
282 H LYS 34 H LYS 34 -3.382 -8.906 2.436
283 HA LYS 34 HA LYS 34 -1.202 -10.709 3.043
284 1HB LYS 34 2HB LYS 34 -2.586 -10.053 0.421
285 2HB LYS 34 1HB LYS 34 -1.411 -11.353 0.626
286 1HG LYS 34 2HG LYS 34 -3.492 -11.436 2.669
287 2HG LYS 34 1HG LYS 34 -4.160 -11.553 1.041
288 1HD LYS 34 2HD LYS 34 -3.271 -13.612 0.698
289 2HD LYS 34 1HD LYS 34 -1.735 -13.170 1.445
290 1HE LYS 34 2HE LYS 34 -2.370 -14.448 3.196
291 2HE LYS 34 1HE LYS 34 -3.521 -13.168 3.576
292 1HZ LYS 34 1HZ LYS 34 -4.753 -14.566 1.604
293 2HZ LYS 34 2HZ LYS 34 -5.069 -14.716 3.267
294 3HZ LYS 34 3HZ LYS 34 -3.991 -15.786 2.503
295 H ILE 35 H ILE 35 -1.486 -7.838 0.915
296 HA ILE 35 HA ILE 35 1.254 -7.954 0.072
297 HB ILE 35 HB ILE 35 -0.700 -5.643 0.218
298 1HG1 ILE 35 2HG1 ILE 35 0.146 -7.670 -1.833
299 2HG1 ILE 35 1HG1 ILE 35 -1.472 -7.101 -1.437
300 1HG2 ILE 35 1HG2 ILE 35 0.912 -4.205 -0.494
301 2HG2 ILE 35 2HG2 ILE 35 1.606 -5.395 -1.592
302 3HG2 ILE 35 3HG2 ILE 35 2.060 -5.397 0.107
303 1HD1 ILE 35 1HD1 ILE 35 -0.605 -6.293 -3.660
304 2HD1 ILE 35 2HD1 ILE 35 0.624 -5.382 -2.795
305 3HD1 ILE 35 3HD1 ILE 35 -1.079 -5.000 -2.564
306 H LEU 36 H LEU 36 -0.323 -6.829 2.964
307 HA LEU 36 HA LEU 36 1.621 -5.061 3.988
308 1HB LEU 36 2HB LEU 36 -0.432 -5.451 5.229
309 2HB LEU 36 1HB LEU 36 -0.034 -7.159 5.432
310 HG LEU 36 HG LEU 36 2.080 -6.381 6.635
311 1HD1 LEU 36 1HD1 LEU 36 0.730 -3.801 6.064
312 2HD1 LEU 36 2HD1 LEU 36 2.444 -4.150 6.284
313 3HD1 LEU 36 3HD1 LEU 36 1.391 -3.979 7.689
314 1HD2 LEU 36 1HD2 LEU 36 -0.344 -5.402 8.108
315 2HD2 LEU 36 2HD2 LEU 36 0.973 -6.425 8.683
316 3HD2 LEU 36 3HD2 LEU 36 -0.267 -7.095 7.623
317 H ASP 37 H ASP 37 1.606 -8.579 3.729
318 HA ASP 37 HA ASP 37 4.092 -8.903 5.234
319 1HB ASP 37 2HB ASP 37 2.450 -10.705 3.444
320 2HB ASP 37 1HB ASP 37 4.020 -11.212 4.067
321 H LEU 38 H LEU 38 3.122 -8.513 1.875
322 HA LEU 38 HA LEU 38 5.559 -9.136 0.577
323 1HB LEU 38 2HB LEU 38 3.221 -7.356 -0.030
324 2HB LEU 38 1HB LEU 38 4.656 -7.255 -1.051
325 HG LEU 38 HG LEU 38 3.618 -9.977 -0.414
326 1HD1 LEU 38 1HD1 LEU 38 1.999 -7.906 -1.630
327 2HD1 LEU 38 2HD1 LEU 38 1.565 -9.572 -1.253
328 3HD1 LEU 38 3HD1 LEU 38 2.333 -9.187 -2.794
329 1HD2 LEU 38 1HD2 LEU 38 4.384 -10.382 -2.714
330 2HD2 LEU 38 2HD2 LEU 38 5.652 -9.579 -1.789
331 3HD2 LEU 38 3HD2 LEU 38 4.677 -8.658 -2.935
332 H MET 39 H MET 39 4.514 -6.212 2.273
333 HA MET 39 HA MET 39 6.929 -4.748 1.442
334 1HB MET 39 2HB MET 39 4.691 -4.044 3.364
335 2HB MET 39 1HB MET 39 6.011 -2.958 2.930
336 1HG MET 39 2HG MET 39 5.348 -3.099 0.555
337 2HG MET 39 1HG MET 39 4.020 -4.174 0.992
338 1HE MET 39 1HE MET 39 5.328 -1.205 0.201
339 2HE MET 39 2HE MET 39 5.047 -0.024 1.478
340 3HE MET 39 3HE MET 39 3.917 -0.139 0.132
341 H ASN 40 H ASN 40 5.582 -6.049 4.486
342 HA ASN 40 HA ASN 40 6.648 -6.516 6.526
343 1HB ASN 40 2HB ASN 40 7.810 -8.068 4.776
344 2HB ASN 40 1HB ASN 40 9.169 -6.955 4.935
345 1HD2 ASN 40 1HD2 ASN 40 10.540 -8.464 6.080
346 2HD2 ASN 40 2HD2 ASN 40 10.191 -8.981 7.659
347 H VAL 41 H VAL 41 6.832 -3.765 5.276
348 HA VAL 41 HA VAL 41 9.423 -2.710 6.108
349 HB VAL 41 HB VAL 41 6.852 -1.232 5.471
350 1HG1 VAL 41 1HG1 VAL 41 8.725 0.499 4.801
351 2HG1 VAL 41 2HG1 VAL 41 9.708 -0.430 5.933
352 3HG1 VAL 41 3HG1 VAL 41 8.227 0.353 6.487
353 1HG2 VAL 41 1HG2 VAL 41 8.110 -2.860 3.736
354 2HG2 VAL 41 2HG2 VAL 41 9.120 -1.426 3.544
355 3HG2 VAL 41 3HG2 VAL 41 7.388 -1.332 3.232
356 H ASP 42 H ASP 42 9.671 -1.131 7.864
357 HA ASP 42 HA ASP 42 8.152 -1.941 10.245
358 1HB ASP 42 2HB ASP 42 9.738 -0.455 11.444
359 2HB ASP 42 1HB ASP 42 10.582 -1.612 10.413
360 H LYS 43 H LYS 43 6.738 -0.599 11.401
361 HA LYS 43 HA LYS 43 5.383 1.286 11.835
362 1HB LYS 43 2HB LYS 43 7.597 2.496 11.051
363 2HB LYS 43 1HB LYS 43 6.665 2.802 9.585
364 1HG LYS 43 2HG LYS 43 5.559 4.468 10.612
365 2HG LYS 43 1HG LYS 43 4.994 3.344 11.849
366 1HD LYS 43 2HD LYS 43 7.767 4.544 11.921
367 2HD LYS 43 1HD LYS 43 6.382 5.337 12.674
368 1HE LYS 43 2HE LYS 43 6.825 2.446 13.281
369 2HE LYS 43 1HE LYS 43 7.905 3.619 14.036
370 1HZ LYS 43 1HZ LYS 43 5.868 3.102 15.336
371 2HZ LYS 43 2HZ LYS 43 4.946 3.825 14.106
372 3HZ LYS 43 3HZ LYS 43 6.066 4.749 14.988
373 H LEU 44 H LEU 44 5.435 -0.620 9.195
374 HA LEU 44 HA LEU 44 3.144 0.791 7.891
375 1HB LEU 44 2HB LEU 44 5.319 -0.982 6.863
376 2HB LEU 44 1HB LEU 44 3.741 -1.083 6.082
377 HG LEU 44 HG LEU 44 5.243 1.510 6.539
378 1HD1 LEU 44 1HD1 LEU 44 6.567 0.635 4.884
379 2HD1 LEU 44 2HD1 LEU 44 5.237 1.171 3.857
380 3HD1 LEU 44 3HD1 LEU 44 5.336 -0.516 4.364
381 1HD2 LEU 44 1HD2 LEU 44 3.373 2.523 5.776
382 2HD2 LEU 44 2HD2 LEU 44 2.548 0.975 5.959
383 3HD2 LEU 44 3HD2 LEU 44 3.264 1.415 4.409
384 H THR 45 H THR 45 1.383 -0.002 9.029
385 HA THR 45 HA THR 45 1.219 -2.914 9.554
386 HB THR 45 HB THR 45 -0.637 -2.398 10.978
387 HG1 THR 45 1HG THR 45 -1.810 -0.627 10.753
388 1HG2 THR 45 1HG2 THR 45 1.683 -0.512 11.090
389 2HG2 THR 45 2HG2 THR 45 1.216 -1.779 12.222
390 3HG2 THR 45 3HG2 THR 45 0.335 -0.252 12.196
391 H ARG 46 H ARG 46 -1.021 -3.909 9.069
392 HA ARG 46 HA ARG 46 -1.509 -3.820 6.266
393 1HB ARG 46 2HB ARG 46 -3.555 -5.128 6.791
394 2HB ARG 46 1HB ARG 46 -2.144 -5.753 7.645
395 1HG ARG 46 2HG ARG 46 -3.115 -5.371 9.638
396 2HG ARG 46 1HG ARG 46 -3.408 -3.684 9.215
397 1HD ARG 46 2HD ARG 46 -5.597 -4.101 8.902
398 2HD ARG 46 1HD ARG 46 -5.218 -5.367 7.734
399 HE ARG 46 HE ARG 46 -4.782 -6.408 10.348
400 1HH1 ARG 46 1HH2 ARG 46 -7.055 -5.963 7.854
401 2HH1 ARG 46 2HH2 ARG 46 -8.374 -6.679 8.719
402 1HH2 ARG 46 1HH1 ARG 46 -6.586 -7.047 11.667
403 2HH2 ARG 46 2HH1 ARG 46 -8.109 -7.290 10.878
404 H GLU 47 H GLU 47 -2.692 -1.854 8.872
405 HA GLU 47 HA GLU 47 -5.040 -0.851 7.491
406 1HB GLU 47 2HB GLU 47 -4.661 -0.773 9.997
407 2HB GLU 47 1HB GLU 47 -3.485 0.509 9.708
408 1HG GLU 47 2HG GLU 47 -5.667 1.488 10.246
409 2HG GLU 47 1HG GLU 47 -5.246 1.839 8.569
410 H ASN 48 H ASN 48 -1.646 0.077 7.680
411 HA ASN 48 HA ASN 48 -1.928 2.676 6.487
412 1HB ASN 48 2HB ASN 48 0.319 0.743 6.909
413 2HB ASN 48 1HB ASN 48 0.560 2.067 5.769
414 1HD2 ASN 48 1HD2 ASN 48 -0.911 1.679 9.055
415 2HD2 ASN 48 2HD2 ASN 48 -0.190 3.075 9.696
416 H VAL 49 H VAL 49 -1.578 -0.577 5.147
417 HA VAL 49 HA VAL 49 -1.334 0.441 2.404
418 HB VAL 49 HB VAL 49 -1.787 -2.380 3.429
419 1HG1 VAL 49 1HG1 VAL 49 -0.879 -1.364 0.719
420 2HG1 VAL 49 2HG1 VAL 49 -2.473 -2.030 1.072
421 3HG1 VAL 49 3HG1 VAL 49 -1.042 -3.057 1.187
422 1HG2 VAL 49 1HG2 VAL 49 0.762 -1.042 2.473
423 2HG2 VAL 49 2HG2 VAL 49 0.607 -2.672 3.124
424 3HG2 VAL 49 3HG2 VAL 49 0.349 -1.277 4.171
425 H ALA 50 H ALA 50 -3.832 -0.773 4.550
426 HA ALA 50 HA ALA 50 -5.819 -1.110 2.461
427 1HB ALA 50 1HB ALA 50 -7.260 -0.751 4.771
428 2HB ALA 50 2HB ALA 50 -5.714 -1.317 5.400
429 3HB ALA 50 3HB ALA 50 -6.605 -2.297 4.236
430 H SER 51 H SER 51 -4.555 1.560 4.237
431 HA SER 51 HA SER 51 -6.876 3.291 3.936
432 1HB SER 51 2HB SER 51 -4.018 3.667 4.778
433 2HB SER 51 1HB SER 51 -4.992 5.079 4.379
434 HG SER 51 HG SER 51 -6.039 4.819 6.180
435 H HIS 52 H HIS 52 -3.716 3.015 2.281
436 HA HIS 52 HA HIS 52 -4.166 5.058 0.356
437 1HB HIS 52 2HB HIS 52 -1.964 3.994 0.686
438 2HB HIS 52 1HB HIS 52 -2.599 2.476 0.050
439 HD1 HIS 52 1HD HIS 52 -1.826 6.025 -1.023
440 HD2 HIS 52 2HD HIS 52 -2.722 2.338 -2.750
441 HE1 HIS 52 1HE HIS 52 -1.463 6.294 -3.516
442 H LEU 53 H LEU 53 -5.090 1.639 0.407
443 HA LEU 53 HA LEU 53 -6.125 1.581 -2.288
444 1HB LEU 53 2HB LEU 53 -5.560 -0.474 -1.029
445 2HB LEU 53 1HB LEU 53 -6.860 -0.128 0.112
446 HG LEU 53 HG LEU 53 -8.300 0.003 -2.129
447 1HD1 LEU 53 1HD1 LEU 53 -5.796 -1.479 -2.836
448 2HD1 LEU 53 2HD1 LEU 53 -6.788 -0.416 -3.835
449 3HD1 LEU 53 3HD1 LEU 53 -7.327 -2.060 -3.493
450 1HD2 LEU 53 1HD2 LEU 53 -8.613 -2.558 -1.843
451 2HD2 LEU 53 2HD2 LEU 53 -8.939 -1.531 -0.448
452 3HD2 LEU 53 3HD2 LEU 53 -7.417 -2.417 -0.554
453 H GLN 54 H GLN 54 -7.556 2.268 0.889
454 HA GLN 54 HA GLN 54 -10.270 2.450 0.015
455 1HB GLN 54 2HB GLN 54 -8.706 3.475 2.351
456 2HB GLN 54 1HB GLN 54 -10.301 4.169 2.052
457 1HG GLN 54 2HG GLN 54 -10.789 1.483 1.730
458 2HG GLN 54 1HG GLN 54 -9.576 1.481 3.012
459 1HE2 GLN 54 1HE2 GLN 54 -11.775 0.661 4.128
460 2HE2 GLN 54 2HE2 GLN 54 -12.681 1.880 4.886
461 H LYS 55 H LYS 55 -7.569 4.687 -0.162
462 HA LYS 55 HA LYS 55 -9.023 7.085 -0.684
463 1HB LYS 55 2HB LYS 55 -6.262 6.107 -1.374
464 2HB LYS 55 1HB LYS 55 -6.849 7.622 -2.059
465 1HG LYS 55 2HG LYS 55 -7.072 8.635 0.052
466 2HG LYS 55 1HG LYS 55 -7.073 7.087 0.897
467 1HD LYS 55 2HD LYS 55 -4.899 7.753 1.319
468 2HD LYS 55 1HD LYS 55 -4.655 6.890 -0.201
469 1HE LYS 55 2HE LYS 55 -4.960 9.077 -1.409
470 2HE LYS 55 1HE LYS 55 -4.991 9.881 0.159
471 1HZ LYS 55 1HZ LYS 55 -2.793 9.852 0.190
472 2HZ LYS 55 2HZ LYS 55 -2.765 9.104 -1.337
473 3HZ LYS 55 3HZ LYS 55 -2.781 8.160 0.076
474 H PHE 56 H PHE 56 -8.027 4.420 -2.790
475 HA PHE 56 HA PHE 56 -8.742 5.660 -5.277
476 1HB PHE 56 2HB PHE 56 -7.387 3.641 -5.269
477 2HB PHE 56 1HB PHE 56 -8.656 2.741 -4.439
478 HD1 PHE 56 1HD PHE 56 -9.228 1.075 -6.037
479 HD2 PHE 56 2HD PHE 56 -9.050 5.204 -7.208
480 HE1 PHE 56 1HE PHE 56 -10.241 0.498 -8.225
481 HE2 PHE 56 2HE PHE 56 -10.064 4.627 -9.397
482 HZ PHE 56 HZ PHE 56 -10.659 2.274 -9.905
483 H ARG 57 H ARG 57 -10.580 3.535 -3.062
484 HA ARG 57 HA ARG 57 -12.989 3.429 -4.548
485 1HB ARG 57 2HB ARG 57 -12.251 3.178 -1.672
486 2HB ARG 57 1HB ARG 57 -13.948 3.515 -2.019
487 1HG ARG 57 2HG ARG 57 -13.920 1.185 -2.104
488 2HG ARG 57 1HG ARG 57 -13.665 1.598 -3.800
489 1HD ARG 57 2HD ARG 57 -11.159 1.503 -3.304
490 2HD ARG 57 1HD ARG 57 -11.592 0.755 -1.766
491 HE ARG 57 HE ARG 57 -11.594 -0.570 -4.322
492 1HH1 ARG 57 1HH2 ARG 57 -14.491 -0.679 -3.760
493 2HH1 ARG 57 2HH2 ARG 57 -14.637 -2.084 -2.756
494 1HH2 ARG 57 1HH1 ARG 57 -11.261 -2.211 -1.982
495 2HH2 ARG 57 2HH1 ARG 57 -12.810 -2.951 -1.751
496 H VAL 58 H VAL 58 -11.670 5.925 -2.424
497 HA VAL 58 HA VAL 58 -13.998 7.618 -2.414
498 HB VAL 58 HB VAL 58 -11.046 8.240 -2.065
499 1HG1 VAL 58 1HG1 VAL 58 -13.087 10.098 -0.997
500 2HG1 VAL 58 2HG1 VAL 58 -12.933 10.091 -2.753
501 3HG1 VAL 58 3HG1 VAL 58 -11.530 10.447 -1.746
502 1HG2 VAL 58 1HG2 VAL 58 -11.842 8.507 0.345
503 2HG2 VAL 58 2HG2 VAL 58 -11.854 6.858 -0.279
504 3HG2 VAL 58 3HG2 VAL 58 -13.359 7.770 -0.167
505 H ALA 59 H ALA 59 -11.193 7.273 -4.535
506 HA ALA 59 HA ALA 59 -11.936 9.497 -6.255
507 1HB ALA 59 1HB ALA 59 -9.889 9.136 -7.142
508 2HB ALA 59 2HB ALA 59 -10.299 7.469 -7.544
509 3HB ALA 59 3HB ALA 59 -9.677 7.862 -5.941
510 H LEU 60 H LEU 60 -13.059 6.340 -5.794
511 HA LEU 60 HA LEU 60 -13.903 5.827 -8.541
512 1HB LEU 60 2HB LEU 60 -14.167 4.469 -5.893
513 2HB LEU 60 1HB LEU 60 -15.335 4.054 -7.145
514 HG LEU 60 HG LEU 60 -12.327 3.994 -7.515
515 1HD1 LEU 60 1HD1 LEU 60 -13.903 2.199 -6.084
516 2HD1 LEU 60 2HD1 LEU 60 -12.317 1.858 -6.777
517 3HD1 LEU 60 3HD1 LEU 60 -13.778 1.463 -7.682
518 1HD2 LEU 60 1HD2 LEU 60 -12.979 4.084 -9.691
519 2HD2 LEU 60 2HD2 LEU 60 -14.660 3.725 -9.295
520 3HD2 LEU 60 3HD2 LEU 60 -13.491 2.414 -9.445
521 H LYS 61 H LYS 61 -14.886 8.092 -6.449
522 HA LYS 61 HA LYS 61 -16.781 9.505 -6.652
523 1HB LYS 61 2HB LYS 61 -17.230 8.275 -8.870
524 2HB LYS 61 1HB LYS 61 -18.295 7.226 -7.932
525 1HG LYS 61 2HG LYS 61 -19.441 9.329 -7.089
526 2HG LYS 61 1HG LYS 61 -18.518 10.221 -8.300
527 1HD LYS 61 2HD LYS 61 -19.947 7.801 -9.266
528 2HD LYS 61 1HD LYS 61 -20.959 9.170 -8.803
529 1HE LYS 61 2HE LYS 61 -18.611 9.334 -10.715
530 2HE LYS 61 1HE LYS 61 -20.302 9.241 -11.209
531 1HZ LYS 61 1HZ LYS 61 -20.033 11.257 -9.280
532 2HZ LYS 61 2HZ LYS 61 -20.487 11.410 -10.909
533 3HZ LYS 61 3HZ LYS 61 -18.849 11.505 -10.468
534 H LYS 62 H LYS 62 -16.565 9.048 -4.311
535 HA LYS 62 HA LYS 62 -17.376 8.234 -2.245
536 1HB LYS 62 2HB LYS 62 -19.209 9.785 -3.397
537 2HB LYS 62 1HB LYS 62 -20.121 8.275 -3.432
538 1HG LYS 62 2HG LYS 62 -20.627 9.441 -1.357
539 2HG LYS 62 1HG LYS 62 -19.670 8.007 -0.982
540 1HD LYS 62 2HD LYS 62 -17.753 9.243 -0.502
541 2HD LYS 62 1HD LYS 62 -18.270 10.615 -1.482
542 1HE LYS 62 2HE LYS 62 -18.664 11.440 0.656
543 2HE LYS 62 1HE LYS 62 -20.236 10.735 0.280
544 1HZ LYS 62 1HZ LYS 62 -19.874 9.726 2.252
545 2HZ LYS 62 2HZ LYS 62 -18.181 9.825 2.136
546 3HZ LYS 62 3HZ LYS 62 -19.027 8.619 1.287
547 H VAL 63 H VAL 63 -16.406 6.060 -3.318
548 HA VAL 63 HA VAL 63 -18.617 4.045 -3.221
549 HB VAL 63 HB VAL 63 -15.983 3.855 -4.714
550 1HG1 VAL 63 1HG1 VAL 63 -18.168 1.947 -4.070
551 2HG1 VAL 63 2HG1 VAL 63 -16.460 1.638 -4.384
552 3HG1 VAL 63 3HG1 VAL 63 -17.568 1.912 -5.729
553 1HG2 VAL 63 1HG2 VAL 63 -17.740 3.768 -6.671
554 2HG2 VAL 63 2HG2 VAL 63 -17.262 5.330 -6.005
555 3HG2 VAL 63 3HG2 VAL 63 -18.787 4.592 -5.514
556 H SER 64 H SER 64 -17.755 4.681 -0.804
557 HA SER 64 HA SER 64 -15.363 3.214 -0.002
558 1HB SER 64 2HB SER 64 -16.061 3.815 2.291
559 2HB SER 64 1HB SER 64 -16.101 5.221 1.231
560 HG SER 64 HG SER 64 -18.083 5.359 1.940
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