NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
9961 |
1p23   |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H CYS 1 HT1 CYS 1 3.756 2.856 2.856
2 2H CYS 1 HT3 CYS 1 2.930 4.337 4.337
3 3H CYS 1 HT2 CYS 1 4.620 4.309 4.309
4 HA CYS 1 HA CYS 1 4.134 4.953 4.953
5 1HB CYS 1 HB2 CYS 1 2.134 2.843 2.843
6 2HB CYS 1 HB1 CYS 1 2.852 2.790 2.790
7 H TYR 2 HN TYR 2 5.735 2.793 2.793
8 HA TYR 2 HA TYR 2 7.061 1.591 1.591
9 1HB TYR 2 HB2 TYR 2 7.341 -0.356 -0.356
10 2HB TYR 2 HB1 TYR 2 5.845 0.245 0.245
11 HD1 TYR 2 HD1 TYR 2 9.541 0.351 0.351
12 HD2 TYR 2 HD2 TYR 2 5.744 0.777 0.777
13 HE1 TYR 2 HE1 TYR 2 10.690 0.572 0.572
14 HE2 TYR 2 HE2 TYR 2 6.874 0.993 0.993
15 HH TYR 2 HH TYR 2 10.260 1.480 1.480
16 H LEU 3 HN LEU 3 7.403 3.455 3.455
17 HA LEU 3 HA LEU 3 10.118 3.482 3.482
18 1HB LEU 3 HB2 LEU 3 7.917 5.434 5.434
19 2HB LEU 3 HB1 LEU 3 9.528 6.115 6.115
20 HG LEU 3 HG LEU 3 9.939 4.624 4.624
21 1HD1 LEU 3 HD12 LEU 3 8.318 2.861 2.861
22 2HD1 LEU 3 HD11 LEU 3 7.042 3.829 3.829
23 3HD1 LEU 3 HD13 LEU 3 8.306 3.125 3.125
24 1HD2 LEU 3 HD21 LEU 3 7.501 6.379 6.379
25 2HD2 LEU 3 HD23 LEU 3 9.112 6.720 6.720
26 3HD2 LEU 3 HD22 LEU 3 8.067 5.566 5.566
27 H ARG 4 HN ARG 4 8.468 5.543 5.543
28 HA ARG 4 HA ARG 4 10.506 6.806 6.806
29 1HB ARG 4 HB2 ARG 4 8.354 5.280 5.280
30 2HB ARG 4 HB1 ARG 4 8.997 6.878 6.878
31 1HG ARG 4 HG2 ARG 4 7.119 7.624 7.624
32 2HG ARG 4 HG1 ARG 4 8.003 7.262 7.262
33 1HD ARG 4 HD2 ARG 4 7.018 4.882 4.882
34 2HD ARG 4 HD1 ARG 4 5.927 5.540 5.540
35 HE ARG 4 HE ARG 4 5.764 6.113 6.113
36 1HH1 ARG 4 HH21 ARG 4 3.904 6.359 6.359
37 2HH1 ARG 4 HH22 ARG 4 3.382 7.996 7.996
38 1HH2 ARG 4 HH11 ARG 4 5.734 8.692 8.692
39 2HH2 ARG 4 HH12 ARG 4 4.420 9.318 9.318
40 H ARG 5 HN ARG 5 9.502 3.413 3.413
41 HA ARG 5 HA ARG 5 11.525 2.768 2.768
42 1HB ARG 5 HB2 ARG 5 9.554 1.256 1.256
43 2HB ARG 5 HB1 ARG 5 10.685 0.418 0.418
44 1HG ARG 5 HG2 ARG 5 9.360 0.834 0.834
45 2HG ARG 5 HG1 ARG 5 9.535 2.569 2.569
46 1HD ARG 5 HD2 ARG 5 7.180 2.128 2.128
47 2HD ARG 5 HD1 ARG 5 7.744 2.274 2.274
48 HE ARG 5 HE ARG 5 8.110 -0.395 -0.395
49 1HH1 ARG 5 HH11 ARG 5 5.642 1.051 1.051
50 2HH1 ARG 5 HH12 ARG 5 4.353 0.169 0.169
51 1HH2 ARG 5 HH21 ARG 5 6.376 -1.232 -1.232
52 2HH2 ARG 5 HH22 ARG 5 4.769 -1.124 -1.124
53 H PHE 6 HN PHE 6 11.070 1.873 1.873
54 HA PHE 6 HA PHE 6 13.583 0.535 0.535
55 1HB PHE 6 HB2 PHE 6 12.026 0.037 0.037
56 2HB PHE 6 HB1 PHE 6 11.495 1.708 1.708
57 HD1 PHE 6 HD1 PHE 6 14.238 -0.624 -0.624
58 HD2 PHE 6 HD2 PHE 6 12.424 3.187 3.187
59 HE1 PHE 6 HE1 PHE 6 15.698 -0.313 -0.313
60 HE2 PHE 6 HE2 PHE 6 13.884 3.503 3.503
61 HZ PHE 6 HZ PHE 6 15.536 1.756 1.756
62 H PHE 7 HN PHE 7 12.615 3.912 3.912
63 HA PHE 7 HA PHE 7 15.122 4.770 4.770
64 1HB PHE 7 HB2 PHE 7 12.519 5.749 5.749
65 2HB PHE 7 HB1 PHE 7 13.663 6.874 6.874
66 HD1 PHE 7 HD1 PHE 7 11.863 6.513 6.513
67 HD2 PHE 7 HD2 PHE 7 15.975 6.836 6.836
68 HE1 PHE 7 HE1 PHE 7 12.453 7.373 7.373
69 HE2 PHE 7 HE2 PHE 7 16.565 7.691 7.691
70 HZ PHE 7 HZ PHE 7 14.805 7.965 7.965
71 H LYS 8 HN LYS 8 13.611 5.093 5.093
72 HA LYS 8 HA LYS 8 15.463 6.570 6.570
73 1HB LYS 8 HB2 LYS 8 13.622 4.378 4.378
74 2HB LYS 8 HB1 LYS 8 14.904 4.529 4.529
75 1HG LYS 8 HG2 LYS 8 13.554 7.036 7.036
76 2HG LYS 8 HG1 LYS 8 12.633 5.948 5.948
77 1HD LYS 8 HD2 LYS 8 13.728 7.103 7.103
78 2HD LYS 8 HD1 LYS 8 14.984 5.910 5.910
79 1HE LYS 8 HE2 LYS 8 16.162 7.446 7.446
80 2HE LYS 8 HE1 LYS 8 14.828 8.615 8.615
81 1HZ LYS 8 HZ3 LYS 8 15.792 7.700 7.700
82 2HZ LYS 8 HZ2 LYS 8 16.922 8.612 8.612
83 3HZ LYS 8 HZ1 LYS 8 15.399 9.269 9.269
84 H ALA 9 HN ALA 9 15.884 3.335 3.335
85 HA ALA 9 HA ALA 9 18.437 2.981 2.981
86 1HB ALA 9 HB1 ALA 9 16.487 1.354 1.354
87 2HB ALA 9 HB3 ALA 9 18.170 0.834 0.834
88 3HB ALA 9 HB2 ALA 9 17.359 0.946 0.946
89 H LYS 10 HN LYS 10 17.109 3.735 3.735
90 HA LYS 10 HA LYS 10 19.412 3.361 3.361
91 1HB LYS 10 HB2 LYS 10 16.806 3.900 3.900
92 2HB LYS 10 HB1 LYS 10 17.481 5.511 5.511
93 1HG LYS 10 HG2 LYS 10 17.727 4.825 4.825
94 2HG LYS 10 HG1 LYS 10 19.212 4.120 4.120
95 1HD LYS 10 HD2 LYS 10 16.973 2.353 2.353
96 2HD LYS 10 HD1 LYS 10 17.080 2.748 2.748
97 1HE LYS 10 HE2 LYS 10 18.722 1.183 1.183
98 2HE LYS 10 HE1 LYS 10 19.740 2.301 2.301
99 1HZ LYS 10 HZ1 LYS 10 18.772 1.422 1.422
100 2HZ LYS 10 HZ3 LYS 10 17.840 0.324 0.324
101 3HZ LYS 10 HZ2 LYS 10 19.533 0.187 0.187
102 H LYS 11 HN LYS 11 18.053 6.343 6.343
103 HA LYS 11 HA LYS 11 20.013 8.178 8.178
104 1HB LYS 11 HB2 LYS 11 18.134 7.777 7.777
105 2HB LYS 11 HB1 LYS 11 19.388 8.997 8.997
106 1HG LYS 11 HG2 LYS 11 17.646 8.905 8.905
107 2HG LYS 11 HG1 LYS 11 17.202 9.826 9.826
108 1HD LYS 11 HD2 LYS 11 19.166 11.199 11.199
109 2HD LYS 11 HD1 LYS 11 19.855 10.162 10.162
110 1HE LYS 11 HE2 LYS 11 17.214 11.049 11.049
111 2HE LYS 11 HE1 LYS 11 18.247 12.440 12.440
112 1HZ LYS 11 HZ1 LYS 11 20.019 11.007 11.007
113 2HZ LYS 11 HZ3 LYS 11 18.655 10.322 10.322
114 3HZ LYS 11 HZ2 LYS 11 18.941 11.992 11.992
115 H LEU 12 HN LEU 12 20.217 5.594 5.594
116 HA LEU 12 HA LEU 12 22.568 6.539 6.539
117 1HB LEU 12 HB2 LEU 12 21.467 3.734 3.734
118 2HB LEU 12 HB1 LEU 12 22.454 4.369 4.369
119 HG LEU 12 HG LEU 12 19.616 5.141 5.141
120 1HD1 LEU 12 HD12 LEU 12 20.034 3.094 3.094
121 2HD1 LEU 12 HD11 LEU 12 20.833 4.132 4.132
122 3HD1 LEU 12 HD13 LEU 12 19.118 4.352 4.352
123 1HD2 LEU 12 HD21 LEU 12 21.741 6.618 6.618
124 2HD2 LEU 12 HD23 LEU 12 20.276 7.224 7.224
125 3HD2 LEU 12 HD22 LEU 12 20.196 6.520 6.520
126 H ILE 13 HN ILE 13 22.094 5.169 5.169
127 HA ILE 13 HA ILE 13 25.012 4.692 4.692
128 HB ILE 13 HB ILE 13 24.314 2.547 2.547
129 1HG1 ILE 13 HG12 ILE 13 22.130 1.937 1.937
130 2HG1 ILE 13 HG11 ILE 13 21.761 3.480 3.480
131 1HG2 ILE 13 HG21 ILE 13 24.325 2.929 2.929
132 2HG2 ILE 13 HG23 ILE 13 24.039 1.328 1.328
133 3HG2 ILE 13 HG22 ILE 13 25.546 2.177 2.177
134 1HD1 ILE 13 HD13 ILE 13 22.814 2.059 2.059
135 2HD1 ILE 13 HD12 ILE 13 21.965 0.802 0.802
136 3HD1 ILE 13 HD11 ILE 13 21.090 2.224 2.224
137 H GLU 14 HN GLU 14 23.680 6.847 6.847
138 HA GLU 14 HA GLU 14 23.720 6.339 6.339
139 1HB GLU 14 HB2 GLU 14 21.870 7.958 7.958
140 2HB GLU 14 HB1 GLU 14 21.818 7.985 7.985
141 1HG GLU 14 HG2 GLU 14 21.805 5.330 5.330
142 2HG GLU 14 HG1 GLU 14 20.330 6.280 6.280
143 1H CYS 1 HT1 CYS 1 0.488 5.537 5.537
144 2H CYS 1 HT3 CYS 1 -0.681 4.713 4.713
145 3H CYS 1 HT2 CYS 1 0.076 3.936 3.936
146 HA CYS 1 HA CYS 1 1.077 3.095 3.095
147 1HB CYS 1 HB2 CYS 1 0.580 5.876 5.876
148 2HB CYS 1 HB1 CYS 1 2.218 5.383 5.383
149 H TYR 2 HN TYR 2 1.805 4.562 4.562
150 HA TYR 2 HA TYR 2 4.758 4.381 4.381
151 1HB TYR 2 HB2 TYR 2 5.004 6.249 6.249
152 2HB TYR 2 HB1 TYR 2 3.428 6.603 6.603
153 HD1 TYR 2 HD1 TYR 2 1.525 6.818 6.818
154 HD2 TYR 2 HD2 TYR 2 5.050 4.929 4.929
155 HE1 TYR 2 HE1 TYR 2 0.489 6.701 6.701
156 HE2 TYR 2 HE2 TYR 2 4.043 4.802 4.802
157 HH TYR 2 HH TYR 2 1.440 4.767 4.767
158 H LEU 3 HN LEU 3 1.971 3.444 3.444
159 HA LEU 3 HA LEU 3 2.973 2.352 2.352
160 1HB LEU 3 HB2 LEU 3 0.901 1.656 1.656
161 2HB LEU 3 HB1 LEU 3 1.300 0.385 0.385
162 HG LEU 3 HG LEU 3 0.869 1.908 1.908
163 1HD1 LEU 3 HD12 LEU 3 1.612 3.929 3.929
164 2HD1 LEU 3 HD11 LEU 3 -0.032 3.952 3.952
165 3HD1 LEU 3 HD13 LEU 3 0.249 4.178 4.178
166 1HD2 LEU 3 HD21 LEU 3 -1.010 0.678 0.678
167 2HD2 LEU 3 HD23 LEU 3 -1.458 1.826 1.826
168 3HD2 LEU 3 HD22 LEU 3 -1.478 2.323 2.323
169 H ARG 4 HN ARG 4 2.831 0.737 0.737
170 HA ARG 4 HA ARG 4 4.240 -1.618 -1.618
171 1HB ARG 4 HB2 ARG 4 4.938 0.103 0.103
172 2HB ARG 4 HB1 ARG 4 4.614 -1.625 -1.625
173 1HG ARG 4 HG2 ARG 4 2.607 -0.991 -0.991
174 2HG ARG 4 HG1 ARG 4 2.201 -0.678 -0.678
175 1HD ARG 4 HD2 ARG 4 3.248 1.704 1.704
176 2HD ARG 4 HD1 ARG 4 2.929 1.299 1.299
177 HE ARG 4 HE ARG 4 0.917 2.111 2.111
178 1HH1 ARG 4 HH11 ARG 4 1.147 0.594 0.594
179 2HH1 ARG 4 HH12 ARG 4 -0.284 -0.370 -0.370
180 1HH2 ARG 4 HH21 ARG 4 -0.724 0.327 0.327
181 2HH2 ARG 4 HH22 ARG 4 -1.341 -0.525 -0.525
182 H ARG 5 HN ARG 5 5.508 1.641 1.641
183 HA ARG 5 HA ARG 5 8.294 0.901 0.901
184 1HB ARG 5 HB2 ARG 5 8.068 2.833 2.833
185 2HB ARG 5 HB1 ARG 5 6.623 3.295 3.295
186 1HG ARG 5 HG2 ARG 5 9.124 3.326 3.326
187 2HG ARG 5 HG1 ARG 5 9.015 4.540 4.540
188 1HD ARG 5 HD2 ARG 5 6.480 4.437 4.437
189 2HD ARG 5 HD1 ARG 5 7.738 4.587 4.587
190 HE ARG 5 HE ARG 5 8.436 6.333 6.333
191 1HH1 ARG 5 HH11 ARG 5 7.572 6.637 6.637
192 2HH1 ARG 5 HH12 ARG 5 6.501 7.986 7.986
193 1HH2 ARG 5 HH21 ARG 5 6.366 7.774 7.774
194 2HH2 ARG 5 HH22 ARG 5 5.818 8.630 8.630
195 H PHE 6 HN PHE 6 5.976 2.457 2.457
196 HA PHE 6 HA PHE 6 7.838 2.656 2.656
197 1HB PHE 6 HB2 PHE 6 6.118 4.068 4.068
198 2HB PHE 6 HB1 PHE 6 5.044 3.165 3.165
199 HD1 PHE 6 HD1 PHE 6 6.483 3.321 3.321
200 HD2 PHE 6 HD2 PHE 6 3.480 1.621 1.621
201 HE1 PHE 6 HE1 PHE 6 5.334 2.406 2.406
202 HE2 PHE 6 HE2 PHE 6 2.325 0.706 0.706
203 HZ PHE 6 HZ PHE 6 3.244 1.089 1.089
204 H PHE 7 HN PHE 7 5.136 0.410 0.410
205 HA PHE 7 HA PHE 7 5.471 -1.278 -1.278
206 1HB PHE 7 HB2 PHE 7 3.997 -1.092 -1.092
207 2HB PHE 7 HB1 PHE 7 4.535 -2.754 -2.754
208 HD1 PHE 7 HD1 PHE 7 4.530 -3.294 -3.294
209 HD2 PHE 7 HD2 PHE 7 1.826 -0.777 -0.777
210 HE1 PHE 7 HE1 PHE 7 2.813 -3.617 -3.617
211 HE2 PHE 7 HE2 PHE 7 0.103 -1.105 -1.105
212 HZ PHE 7 HZ PHE 7 0.594 -2.525 -2.525
213 H LYS 8 HN LYS 8 6.920 -1.490 -1.490
214 HA LYS 8 HA LYS 8 8.133 -3.969 -3.969
215 1HB LYS 8 HB2 LYS 8 8.547 -1.402 -1.402
216 2HB LYS 8 HB1 LYS 8 10.071 -2.248 -2.248
217 1HG LYS 8 HG2 LYS 8 8.834 -4.307 -4.307
218 2HG LYS 8 HG1 LYS 8 7.651 -3.136 -3.136
219 1HD LYS 8 HD2 LYS 8 10.305 -2.177 -2.177
220 2HD LYS 8 HD1 LYS 8 10.130 -3.820 -3.820
221 1HE LYS 8 HE2 LYS 8 7.751 -2.795 -2.795
222 2HE LYS 8 HE1 LYS 8 8.753 -1.331 -1.331
223 1HZ LYS 8 HZ1 LYS 8 10.471 -2.903 -2.903
224 2HZ LYS 8 HZ3 LYS 8 9.139 -3.899 -3.899
225 3HZ LYS 8 HZ2 LYS 8 9.193 -2.322 -2.322
226 H ALA 9 HN ALA 9 8.896 -1.168 -1.168
227 HA ALA 9 HA ALA 9 11.433 -2.273 -2.273
228 1HB ALA 9 HB3 ALA 9 9.801 0.222 0.222
229 2HB ALA 9 HB2 ALA 9 11.176 -0.136 -0.136
230 3HB ALA 9 HB1 ALA 9 11.418 0.074 0.074
231 H LYS 10 HN LYS 10 8.097 -2.081 -2.081
232 HA LYS 10 HA LYS 10 8.258 -2.642 -2.642
233 1HB LYS 10 HB2 LYS 10 6.395 -1.846 -1.846
234 2HB LYS 10 HB1 LYS 10 6.023 -3.561 -3.561
235 1HG LYS 10 HG2 LYS 10 4.687 -2.580 -2.580
236 2HG LYS 10 HG1 LYS 10 6.038 -3.344 -3.344
237 1HD LYS 10 HD2 LYS 10 7.023 -1.332 -1.332
238 2HD LYS 10 HD1 LYS 10 6.380 -0.519 -0.519
239 1HE LYS 10 HE2 LYS 10 4.214 -0.277 -0.277
240 2HE LYS 10 HE1 LYS 10 4.604 -1.416 -1.416
241 1HZ LYS 10 HZ2 LYS 10 6.508 0.723 0.723
242 2HZ LYS 10 HZ1 LYS 10 4.947 1.277 1.277
243 3HZ LYS 10 HZ3 LYS 10 5.707 0.145 0.145
244 H LYS 11 HN LYS 11 7.191 -4.827 -4.827
245 HA LYS 11 HA LYS 11 7.234 -7.214 -7.214
246 1HB LYS 11 HB2 LYS 11 6.865 -8.077 -8.077
247 2HB LYS 11 HB1 LYS 11 6.856 -6.391 -6.391
248 1HG LYS 11 HG2 LYS 11 8.424 -7.276 -7.276
249 2HG LYS 11 HG1 LYS 11 9.464 -6.749 -6.749
250 1HD LYS 11 HD2 LYS 11 10.132 -8.993 -8.993
251 2HD LYS 11 HD1 LYS 11 9.205 -9.080 -9.080
252 1HE LYS 11 HE2 LYS 11 8.272 -10.823 -10.823
253 2HE LYS 11 HE1 LYS 11 7.155 -9.475 -9.475
254 1HZ LYS 11 HZ2 LYS 11 9.573 -9.919 -9.919
255 2HZ LYS 11 HZ1 LYS 11 8.081 -10.633 -10.633
256 3HZ LYS 11 HZ3 LYS 11 8.227 -8.943 -8.943
257 H LEU 12 HN LEU 12 9.953 -5.333 -5.333
258 HA LEU 12 HA LEU 12 11.960 -7.366 -7.366
259 1HB LEU 12 HB2 LEU 12 11.883 -4.360 -4.360
260 2HB LEU 12 HB1 LEU 12 13.412 -5.219 -5.219
261 HG LEU 12 HG LEU 12 11.419 -5.628 -5.628
262 1HD1 LEU 12 HD13 LEU 12 13.432 -3.688 -3.688
263 2HD1 LEU 12 HD12 LEU 12 14.112 -4.880 -4.880
264 3HD1 LEU 12 HD11 LEU 12 12.589 -4.080 -4.080
265 1HD2 LEU 12 HD23 LEU 12 13.808 -7.130 -7.130
266 2HD2 LEU 12 HD22 LEU 12 12.385 -7.712 -7.712
267 3HD2 LEU 12 HD21 LEU 12 13.672 -6.887 -6.887
268 H ILE 13 HN ILE 13 10.149 -5.731 -5.731
269 HA ILE 13 HA ILE 13 12.006 -6.660 -6.660
270 HB ILE 13 HB ILE 13 11.601 -4.250 -4.250
271 1HG1 ILE 13 HG12 ILE 13 11.979 -3.033 -3.033
272 2HG1 ILE 13 HG11 ILE 13 10.482 -3.957 -3.957
273 1HG2 ILE 13 HG21 ILE 13 13.719 -5.528 -5.528
274 2HG2 ILE 13 HG23 ILE 13 13.595 -4.077 -4.077
275 3HG2 ILE 13 HG22 ILE 13 13.810 -3.936 -3.936
276 1HD1 ILE 13 HD12 ILE 13 10.117 -2.839 -2.839
277 2HD1 ILE 13 HD11 ILE 13 11.221 -1.629 -1.629
278 3HD1 ILE 13 HD13 ILE 13 9.701 -1.972 -1.972
279 H GLU 14 HN GLU 14 9.588 -7.740 -7.740
280 HA GLU 14 HA GLU 14 7.884 -6.784 -6.784
281 1HB GLU 14 HB2 GLU 14 7.264 -7.909 -7.909
282 2HB GLU 14 HB1 GLU 14 6.030 -7.531 -7.531
283 1HG GLU 14 HG2 GLU 14 8.006 -5.401 -5.401
284 2HG GLU 14 HG1 GLU 14 6.901 -5.752 -5.752
285 1H CYS 1 HT3 CYS 1 23.703 -4.205 -4.205
286 2H CYS 1 HT2 CYS 1 25.352 -3.873 -3.873
287 3H CYS 1 HT1 CYS 1 24.278 -2.617 -2.617
288 HA CYS 1 HA CYS 1 24.328 -2.256 -2.256
289 1HB CYS 1 HB2 CYS 1 25.132 -5.157 -5.157
290 2HB CYS 1 HB1 CYS 1 24.681 -4.414 -4.414
291 H TYR 2 HN TYR 2 22.059 -2.279 -2.279
292 HA TYR 2 HA TYR 2 20.133 -3.063 -3.063
293 1HB TYR 2 HB2 TYR 2 19.409 -5.086 -5.086
294 2HB TYR 2 HB1 TYR 2 21.000 -5.143 -5.143
295 HD1 TYR 2 HD1 TYR 2 21.154 -5.401 -5.401
296 HD2 TYR 2 HD2 TYR 2 17.580 -3.764 -3.764
297 HE1 TYR 2 HE1 TYR 2 20.121 -5.343 -5.343
298 HE2 TYR 2 HE2 TYR 2 16.531 -3.695 -3.695
299 HH TYR 2 HH TYR 2 16.930 -5.104 -5.104
300 H LEU 3 HN LEU 3 20.885 -2.201 -2.201
301 HA LEU 3 HA LEU 3 18.555 -1.086 -1.086
302 1HB LEU 3 HB2 LEU 3 21.423 -0.652 -0.652
303 2HB LEU 3 HB1 LEU 3 20.507 0.796 0.796
304 HG LEU 3 HG LEU 3 19.305 -0.373 -0.373
305 1HD1 LEU 3 HD12 LEU 3 19.946 -2.646 -2.646
306 2HD1 LEU 3 HD11 LEU 3 20.701 -2.884 -2.884
307 3HD1 LEU 3 HD13 LEU 3 18.966 -2.588 -2.588
308 1HD2 LEU 3 HD22 LEU 3 22.276 -0.623 -0.623
309 2HD2 LEU 3 HD21 LEU 3 21.245 0.390 0.390
310 3HD2 LEU 3 HD23 LEU 3 21.375 -1.338 -1.338
311 H ARG 4 HN ARG 4 20.848 0.293 0.293
312 HA ARG 4 HA ARG 4 19.738 2.815 2.815
313 1HB ARG 4 HB2 ARG 4 20.773 0.966 0.966
314 2HB ARG 4 HB1 ARG 4 21.020 2.703 2.703
315 1HG ARG 4 HG2 ARG 4 23.029 2.166 2.166
316 2HG ARG 4 HG1 ARG 4 22.117 1.729 1.729
317 1HD ARG 4 HD2 ARG 4 21.859 -0.614 -0.614
318 2HD ARG 4 HD1 ARG 4 23.024 -0.123 -0.123
319 HE ARG 4 HE ARG 4 23.769 -0.857 -0.857
320 1HH1 ARG 4 HH21 ARG 4 23.894 2.173 2.173
321 2HH1 ARG 4 HH22 ARG 4 25.539 2.479 2.479
322 1HH2 ARG 4 HH11 ARG 4 26.019 -0.657 -0.657
323 2HH2 ARG 4 HH12 ARG 4 26.744 0.876 0.876
324 H ARG 5 HN ARG 5 18.940 -0.371 -0.371
325 HA ARG 5 HA ARG 5 16.747 0.713 0.713
326 1HB ARG 5 HB2 ARG 5 16.782 -1.379 -1.379
327 2HB ARG 5 HB1 ARG 5 18.369 -1.432 -1.432
328 1HG ARG 5 HG2 ARG 5 16.904 -2.316 -2.316
329 2HG ARG 5 HG1 ARG 5 15.842 -2.830 -2.830
330 1HD ARG 5 HD2 ARG 5 18.709 -3.424 -3.424
331 2HD ARG 5 HD1 ARG 5 17.944 -4.321 -4.321
332 HE ARG 5 HE ARG 5 16.198 -4.249 -4.249
333 1HH1 ARG 5 HH21 ARG 5 19.065 -5.694 -5.694
334 2HH1 ARG 5 HH22 ARG 5 18.889 -7.154 -7.154
335 1HH2 ARG 5 HH11 ARG 5 15.962 -6.147 -6.147
336 2HH2 ARG 5 HH12 ARG 5 17.134 -7.412 -7.412
337 H PHE 6 HN PHE 6 17.009 0.095 0.095
338 HA PHE 6 HA PHE 6 14.133 -0.667 -0.667
339 1HB PHE 6 HB2 PHE 6 14.997 -2.154 -2.154
340 2HB PHE 6 HB1 PHE 6 16.579 -1.403 -1.403
341 HD1 PHE 6 HD1 PHE 6 17.322 0.250 0.250
342 HD2 PHE 6 HD2 PHE 6 13.432 -1.523 -1.523
343 HE1 PHE 6 HE1 PHE 6 17.089 1.127 1.127
344 HE2 PHE 6 HE2 PHE 6 13.191 -0.646 -0.646
345 HZ PHE 6 HZ PHE 6 15.019 0.688 0.688
346 H PHE 7 HN PHE 7 16.529 1.512 1.512
347 HA PHE 7 HA PHE 7 14.513 3.073 3.073
348 1HB PHE 7 HB2 PHE 7 16.337 4.123 4.123
349 2HB PHE 7 HB1 PHE 7 17.154 2.694 2.694
350 HD1 PHE 7 HD1 PHE 7 16.182 6.181 6.181
351 HD2 PHE 7 HD2 PHE 7 18.957 2.940 2.940
352 HE1 PHE 7 HE1 PHE 7 17.622 7.631 7.631
353 HE2 PHE 7 HE2 PHE 7 20.398 4.388 4.388
354 HZ PHE 7 HZ PHE 7 19.731 6.735 6.735
355 H LYS 8 HN LYS 8 15.837 3.081 3.081
356 HA LYS 8 HA LYS 8 15.447 5.757 5.757
357 1HB LYS 8 HB2 LYS 8 15.727 3.126 3.126
358 2HB LYS 8 HB1 LYS 8 14.818 4.246 4.246
359 1HG LYS 8 HG2 LYS 8 16.665 5.919 5.919
360 2HG LYS 8 HG1 LYS 8 17.592 4.666 4.666
361 1HD LYS 8 HD2 LYS 8 16.673 3.488 3.488
362 2HD LYS 8 HD1 LYS 8 17.254 5.092 5.092
363 1HE LYS 8 HE2 LYS 8 19.023 3.713 3.713
364 2HE LYS 8 HE1 LYS 8 18.882 2.892 2.892
365 1HZ LYS 8 HZ2 LYS 8 19.054 5.282 5.282
366 2HZ LYS 8 HZ1 LYS 8 19.759 5.646 5.646
367 3HZ LYS 8 HZ3 LYS 8 20.474 4.487 4.487
368 H ALA 9 HN ALA 9 13.180 3.007 3.007
369 HA ALA 9 HA ALA 9 10.989 4.599 4.599
370 1HB ALA 9 HB1 ALA 9 11.649 1.903 1.903
371 2HB ALA 9 HB3 ALA 9 10.266 2.186 2.186
372 3HB ALA 9 HB2 ALA 9 10.137 2.518 2.518
373 H LYS 10 HN LYS 10 12.339 3.917 3.917
374 HA LYS 10 HA LYS 10 10.092 4.409 4.409
375 1HB LYS 10 HB2 LYS 10 12.561 3.475 3.475
376 2HB LYS 10 HB1 LYS 10 12.835 5.143 5.143
377 1HG LYS 10 HG2 LYS 10 12.260 4.077 4.077
378 2HG LYS 10 HG1 LYS 10 10.758 4.849 4.849
379 1HD LYS 10 HD2 LYS 10 9.894 2.794 2.794
380 2HD LYS 10 HD1 LYS 10 11.460 1.997 1.997
381 1HE LYS 10 HE2 LYS 10 11.330 1.990 1.990
382 2HE LYS 10 HE1 LYS 10 9.935 3.087 3.087
383 1HZ LYS 10 HZ3 LYS 10 8.904 1.293 1.293
384 2HZ LYS 10 HZ2 LYS 10 10.076 0.264 0.264
385 3HZ LYS 10 HZ1 LYS 10 8.932 1.025 1.025
386 H LYS 11 HN LYS 11 12.888 6.582 6.582
387 HA LYS 11 HA LYS 11 11.902 8.914 8.914
388 1HB LYS 11 HB2 LYS 11 13.881 8.092 8.092
389 2HB LYS 11 HB1 LYS 11 13.181 9.637 9.637
390 1HG LYS 11 HG2 LYS 11 13.908 9.287 9.287
391 2HG LYS 11 HG1 LYS 11 15.220 9.514 9.514
392 1HD LYS 11 HD2 LYS 11 13.421 11.432 11.432
393 2HD LYS 11 HD1 LYS 11 13.202 11.438 11.438
394 1HE LYS 11 HE2 LYS 11 15.874 11.408 11.408
395 2HE LYS 11 HE1 LYS 11 15.619 12.172 12.172
396 1HZ LYS 11 HZ3 LYS 11 14.002 13.671 13.671
397 2HZ LYS 11 HZ2 LYS 11 14.486 13.033 13.033
398 3HZ LYS 11 HZ1 LYS 11 15.597 13.885 13.885
399 H LEU 12 HN LEU 12 11.054 7.526 7.526
400 HA LEU 12 HA LEU 12 9.629 9.760 9.760
401 1HB LEU 12 HB2 LEU 12 9.413 6.775 6.775
402 2HB LEU 12 HB1 LEU 12 8.688 7.996 7.996
403 HG LEU 12 HG LEU 12 11.638 7.614 7.614
404 1HD1 LEU 12 HD11 LEU 12 9.790 6.918 6.918
405 2HD1 LEU 12 HD13 LEU 12 11.302 7.668 7.668
406 3HD1 LEU 12 HD12 LEU 12 11.331 6.188 6.188
407 1HD2 LEU 12 HD22 LEU 12 10.108 9.960 9.960
408 2HD2 LEU 12 HD21 LEU 12 11.782 9.853 9.853
409 3HD2 LEU 12 HD23 LEU 12 11.378 9.508 9.508
410 H ILE 13 HN ILE 13 8.849 7.626 7.626
411 HA ILE 13 HA ILE 13 6.093 8.715 8.715
412 HB ILE 13 HB ILE 13 5.404 6.297 6.297
413 1HG1 ILE 13 HG12 ILE 13 7.011 4.842 4.842
414 2HG1 ILE 13 HG11 ILE 13 8.184 5.943 5.943
415 1HG2 ILE 13 HG23 ILE 13 5.842 7.526 7.526
416 2HG2 ILE 13 HG22 ILE 13 5.623 5.777 5.777
417 3HG2 ILE 13 HG21 ILE 13 4.382 6.811 6.811
418 1HD1 ILE 13 HD13 ILE 13 6.338 4.953 4.953
419 2HD1 ILE 13 HD12 ILE 13 7.164 3.629 3.629
420 3HD1 ILE 13 HD11 ILE 13 8.100 4.892 4.892
421 H GLU 14 HN GLU 14 8.151 9.525 9.525
422 HA GLU 14 HA GLU 14 7.380 8.433 8.433
423 1HB GLU 14 HB2 GLU 14 10.044 9.221 9.221
424 2HB GLU 14 HB1 GLU 14 9.810 8.769 8.769
425 1HG GLU 14 HG2 GLU 14 8.740 6.932 6.932
426 2HG GLU 14 HG1 GLU 14 10.486 6.973 6.973
427 1H CYS 1 HT1 CYS 1 27.624 -3.148 -3.148
428 2H CYS 1 HT3 CYS 1 28.361 -3.925 -3.925
429 3H CYS 1 HT2 CYS 1 27.185 -4.740 -4.740
430 HA CYS 1 HA CYS 1 25.721 -4.084 -4.084
431 1HB CYS 1 HB2 CYS 1 28.082 -2.341 -2.341
432 2HB CYS 1 HB1 CYS 1 26.532 -2.018 -2.018
433 H TYR 2 HN TYR 2 25.114 -3.408 -3.408
434 HA TYR 2 HA TYR 2 23.531 -1.040 -1.040
435 1HB TYR 2 HB2 TYR 2 24.841 0.552 0.552
436 2HB TYR 2 HB1 TYR 2 26.163 -0.490 -0.490
437 HD1 TYR 2 HD1 TYR 2 27.654 -1.302 -1.302
438 HD2 TYR 2 HD2 TYR 2 23.725 -0.088 -0.088
439 HE1 TYR 2 HE1 TYR 2 28.253 -1.725 -1.725
440 HE2 TYR 2 HE2 TYR 2 24.306 -0.508 -0.508
441 HH TYR 2 HH TYR 2 27.135 -0.608 -0.608
442 H LEU 3 HN LEU 3 25.121 -3.420 -3.420
443 HA LEU 3 HA LEU 3 23.679 -3.430 -3.430
444 1HB LEU 3 HB2 LEU 3 24.914 -5.368 -5.368
445 2HB LEU 3 HB1 LEU 3 23.719 -6.078 -6.078
446 HG LEU 3 HG LEU 3 24.870 -5.144 -5.144
447 1HD1 LEU 3 HD13 LEU 3 25.710 -3.160 -3.160
448 2HD1 LEU 3 HD12 LEU 3 27.127 -4.195 -4.195
449 3HD1 LEU 3 HD11 LEU 3 26.628 -3.644 -3.644
450 1HD2 LEU 3 HD23 LEU 3 26.500 -6.694 -6.694
451 2HD2 LEU 3 HD22 LEU 3 25.731 -7.272 -7.272
452 3HD2 LEU 3 HD21 LEU 3 27.180 -6.272 -6.272
453 H ARG 4 HN ARG 4 22.732 -4.854 -4.854
454 HA ARG 4 HA ARG 4 20.166 -5.829 -5.829
455 1HB ARG 4 HB2 ARG 4 20.691 -4.224 -4.224
456 2HB ARG 4 HB1 ARG 4 19.848 -5.761 -5.761
457 1HG ARG 4 HG2 ARG 4 21.783 -6.646 -6.646
458 2HG ARG 4 HG1 ARG 4 22.358 -6.443 -6.443
459 1HD ARG 4 HD2 ARG 4 23.127 -4.091 -4.091
460 2HD ARG 4 HD1 ARG 4 22.806 -4.577 -4.577
461 HE ARG 4 HE ARG 4 25.101 -5.374 -5.374
462 1HH1 ARG 4 HH21 ARG 4 23.506 -6.067 -6.067
463 2HH1 ARG 4 HH22 ARG 4 23.976 -7.732 -7.732
464 1HH2 ARG 4 HH11 ARG 4 25.292 -7.827 -7.827
465 2HH2 ARG 4 HH12 ARG 4 24.984 -8.728 -8.728
466 H ARG 5 HN ARG 5 21.189 -2.533 -2.533
467 HA ARG 5 HA ARG 5 18.536 -1.384 -1.384
468 1HB ARG 5 HB2 ARG 5 19.611 0.478 0.478
469 2HB ARG 5 HB1 ARG 5 20.920 -0.662 -0.662
470 1HG ARG 5 HG2 ARG 5 21.565 -0.079 -0.079
471 2HG ARG 5 HG1 ARG 5 20.646 1.386 1.386
472 1HD ARG 5 HD2 ARG 5 22.625 0.549 0.549
473 2HD ARG 5 HD1 ARG 5 23.268 1.219 1.219
474 HE ARG 5 HE ARG 5 21.257 2.974 2.974
475 1HH1 ARG 5 HH11 ARG 5 24.395 2.483 2.483
476 2HH1 ARG 5 HH12 ARG 5 24.297 3.466 3.466
477 1HH2 ARG 5 HH21 ARG 5 20.864 3.879 3.879
478 2HH2 ARG 5 HH22 ARG 5 22.302 4.252 4.252
479 H PHE 6 HN PHE 6 21.169 -1.901 -1.901
480 HA PHE 6 HA PHE 6 19.921 -0.243 -0.243
481 1HB PHE 6 HB2 PHE 6 22.192 -0.134 -0.134
482 2HB PHE 6 HB1 PHE 6 22.413 -1.734 -1.734
483 HD1 PHE 6 HD1 PHE 6 21.024 -0.078 -0.078
484 HD2 PHE 6 HD2 PHE 6 23.096 -3.441 -3.441
485 HE1 PHE 6 HE1 PHE 6 21.378 -0.975 -0.975
486 HE2 PHE 6 HE2 PHE 6 23.448 -4.345 -4.345
487 HZ PHE 6 HZ PHE 6 22.590 -3.120 -3.120
488 H PHE 7 HN PHE 7 20.788 -3.706 -3.706
489 HA PHE 7 HA PHE 7 19.442 -4.641 -4.641
490 1HB PHE 7 HB2 PHE 7 20.658 -5.621 -5.621
491 2HB PHE 7 HB1 PHE 7 19.298 -6.629 -6.629
492 HD1 PHE 7 HD1 PHE 7 19.273 -6.508 -6.508
493 HD2 PHE 7 HD2 PHE 7 22.646 -6.643 -6.643
494 HE1 PHE 7 HE1 PHE 7 20.647 -7.482 -7.482
495 HE2 PHE 7 HE2 PHE 7 24.027 -7.626 -7.626
496 HZ PHE 7 HZ PHE 7 23.029 -8.047 -8.047
497 H LYS 8 HN LYS 8 18.209 -3.928 -3.928
498 HA LYS 8 HA LYS 8 15.762 -5.215 -5.215
499 1HB LYS 8 HB2 LYS 8 17.034 -2.934 -2.934
500 2HB LYS 8 HB1 LYS 8 15.330 -2.593 -2.593
501 1HG LYS 8 HG2 LYS 8 15.125 -5.089 -5.089
502 2HG LYS 8 HG1 LYS 8 16.605 -4.576 -4.576
503 1HD LYS 8 HD2 LYS 8 14.529 -2.512 -2.512
504 2HD LYS 8 HD1 LYS 8 14.036 -3.988 -3.988
505 1HE LYS 8 HE2 LYS 8 15.566 -3.700 -3.700
506 2HE LYS 8 HE1 LYS 8 16.796 -3.042 -3.042
507 1HZ LYS 8 HZ1 LYS 8 14.314 -1.536 -1.536
508 2HZ LYS 8 HZ3 LYS 8 15.566 -1.454 -1.454
509 3HZ LYS 8 HZ2 LYS 8 15.844 -0.961 -0.961
510 H ALA 9 HN ALA 9 16.751 -2.555 -2.555
511 HA ALA 9 HA ALA 9 14.017 -2.022 -2.022
512 1HB ALA 9 HB1 ALA 9 16.764 -0.889 -0.889
513 2HB ALA 9 HB3 ALA 9 15.396 -0.408 -0.408
514 3HB ALA 9 HB2 ALA 9 15.368 -0.096 -0.096
515 H LYS 10 HN LYS 10 16.843 -3.809 -3.809
516 HA LYS 10 HA LYS 10 16.356 -4.150 -4.150
517 1HB LYS 10 HB2 LYS 10 18.310 -4.656 -4.656
518 2HB LYS 10 HB1 LYS 10 17.631 -6.259 -6.259
519 1HG LYS 10 HG2 LYS 10 19.304 -6.116 -6.116
520 2HG LYS 10 HG1 LYS 10 17.808 -5.769 -5.769
521 1HD LYS 10 HD2 LYS 10 18.589 -3.289 -3.289
522 2HD LYS 10 HD1 LYS 10 20.105 -4.037 -4.037
523 1HE LYS 10 HE2 LYS 10 19.551 -3.959 -3.959
524 2HE LYS 10 HE1 LYS 10 17.850 -4.356 -4.356
525 1HZ LYS 10 HZ1 LYS 10 17.602 -2.121 -2.121
526 2HZ LYS 10 HZ3 LYS 10 19.183 -1.747 -1.747
527 3HZ LYS 10 HZ2 LYS 10 17.991 -2.067 -2.067
528 H LYS 11 HN LYS 11 15.872 -6.432 -6.432
529 HA LYS 11 HA LYS 11 14.438 -8.418 -8.418
530 1HB LYS 11 HB2 LYS 11 14.345 -7.252 -7.252
531 2HB LYS 11 HB1 LYS 11 13.305 -8.608 -8.608
532 1HG LYS 11 HG2 LYS 11 16.333 -8.524 -8.524
533 2HG LYS 11 HG1 LYS 11 15.347 -9.502 -9.502
534 1HD LYS 11 HD2 LYS 11 14.303 -10.359 -10.359
535 2HD LYS 11 HD1 LYS 11 15.878 -9.866 -9.866
536 1HE LYS 11 HE2 LYS 11 15.998 -11.405 -11.405
537 2HE LYS 11 HE1 LYS 11 15.404 -12.316 -12.316
538 1HZ LYS 11 HZ1 LYS 11 17.854 -10.632 -10.632
539 2HZ LYS 11 HZ3 LYS 11 17.836 -12.327 -12.327
540 3HZ LYS 11 HZ2 LYS 11 17.281 -11.524 -11.524
541 H LEU 12 HN LEU 12 13.385 -5.213 -5.213
542 HA LEU 12 HA LEU 12 10.560 -5.652 -5.652
543 1HB LEU 12 HB2 LEU 12 12.433 -3.306 -3.306
544 2HB LEU 12 HB1 LEU 12 10.710 -3.056 -3.056
545 HG LEU 12 HG LEU 12 11.858 -4.586 -4.586
546 1HD1 LEU 12 HD12 LEU 12 11.781 -1.809 -1.809
547 2HD1 LEU 12 HD11 LEU 12 10.425 -2.150 -2.150
548 3HD1 LEU 12 HD13 LEU 12 12.059 -2.629 -2.629
549 1HD2 LEU 12 HD21 LEU 12 9.286 -4.572 -4.572
550 2HD2 LEU 12 HD23 LEU 12 9.730 -5.210 -5.210
551 3HD2 LEU 12 HD22 LEU 12 9.166 -3.546 -3.546
552 H ILE 13 HN ILE 13 13.012 -5.482 -5.482
553 HA ILE 13 HA ILE 13 10.959 -5.231 -5.231
554 HB ILE 13 HB ILE 13 12.641 -3.577 -3.577
555 1HG1 ILE 13 HG12 ILE 13 13.365 -2.194 -2.194
556 2HG1 ILE 13 HG11 ILE 13 13.761 -3.862 -3.862
557 1HG2 ILE 13 HG23 ILE 13 10.273 -3.193 -3.193
558 2HG2 ILE 13 HG22 ILE 13 11.184 -2.404 -2.404
559 3HG2 ILE 13 HG21 ILE 13 11.293 -1.801 -1.801
560 1HD1 ILE 13 HD11 ILE 13 14.539 -3.304 -3.304
561 2HD1 ILE 13 HD13 ILE 13 15.228 -2.084 -2.084
562 3HD1 ILE 13 HD12 ILE 13 15.553 -3.793 -3.793
563 H GLU 14 HN GLU 14 12.284 -7.502 -7.502
564 HA GLU 14 HA GLU 14 14.112 -7.911 -7.911
565 1HB GLU 14 HB2 GLU 14 14.201 -8.859 -8.859
566 2HB GLU 14 HB1 GLU 14 15.331 -9.409 -9.409
567 1HG GLU 14 HG2 GLU 14 14.945 -6.478 -6.478
568 2HG GLU 14 HG1 GLU 14 15.839 -7.284 -7.284
Start of MODEL 2
1 1H CYS 1 HT2 CYS 1 5.204 6.457 6.457
2 2H CYS 1 HT1 CYS 1 3.626 5.860 5.860
3 3H CYS 1 HT3 CYS 1 3.955 7.498 7.498
4 HA CYS 1 HA CYS 1 5.168 7.033 7.033
5 1HB CYS 1 HB2 CYS 1 2.689 5.318 5.318
6 2HB CYS 1 HB1 CYS 1 3.404 5.655 5.655
7 H TYR 2 HN TYR 2 7.036 5.873 5.873
8 HA TYR 2 HA TYR 2 7.719 3.518 3.518
9 1HB TYR 2 HB2 TYR 2 7.012 1.791 1.791
10 2HB TYR 2 HB1 TYR 2 5.823 2.972 2.972
11 HD1 TYR 2 HD1 TYR 2 5.764 3.630 3.630
12 HD2 TYR 2 HD2 TYR 2 9.285 1.757 1.757
13 HE1 TYR 2 HE1 TYR 2 6.758 3.582 3.582
14 HE2 TYR 2 HE2 TYR 2 10.284 1.707 1.707
15 HH TYR 2 HH TYR 2 10.097 2.640 2.640
16 H LEU 3 HN LEU 3 8.011 5.485 5.485
17 HA LEU 3 HA LEU 3 10.530 4.896 4.896
18 1HB LEU 3 HB2 LEU 3 8.702 6.663 6.663
19 2HB LEU 3 HB1 LEU 3 9.638 7.680 7.680
20 HG LEU 3 HG LEU 3 11.469 6.373 6.373
21 1HD1 LEU 3 HD11 LEU 3 9.221 6.162 6.162
22 2HD1 LEU 3 HD13 LEU 3 9.638 7.817 7.817
23 3HD1 LEU 3 HD12 LEU 3 10.764 6.500 6.500
24 1HD2 LEU 3 HD22 LEU 3 11.228 8.779 8.779
25 2HD2 LEU 3 HD21 LEU 3 12.224 8.538 8.538
26 3HD2 LEU 3 HD23 LEU 3 10.586 9.175 9.175
27 H ARG 4 HN ARG 4 9.811 7.347 7.347
28 HA ARG 4 HA ARG 4 12.383 7.917 7.917
29 1HB ARG 4 HB2 ARG 4 11.262 8.453 8.453
30 2HB ARG 4 HB1 ARG 4 10.236 8.934 8.934
31 1HG ARG 4 HG2 ARG 4 9.893 6.177 6.177
32 2HG ARG 4 HG1 ARG 4 9.245 7.534 7.534
33 1HD ARG 4 HD2 ARG 4 8.171 8.273 8.273
34 2HD ARG 4 HD1 ARG 4 8.483 6.599 6.599
35 HE ARG 4 HE ARG 4 6.745 5.933 5.933
36 1HH1 ARG 4 HH21 ARG 4 6.296 9.085 9.085
37 2HH1 ARG 4 HH22 ARG 4 5.983 9.244 9.244
38 1HH2 ARG 4 HH11 ARG 4 7.117 6.061 6.061
39 2HH2 ARG 4 HH12 ARG 4 6.446 7.531 7.531
40 H ARG 5 HN ARG 5 10.479 5.006 5.006
41 HA ARG 5 HA ARG 5 12.410 3.838 3.838
42 1HB ARG 5 HB2 ARG 5 9.822 2.943 2.943
43 2HB ARG 5 HB1 ARG 5 10.730 1.967 1.967
44 1HG ARG 5 HG2 ARG 5 10.128 3.257 3.257
45 2HG ARG 5 HG1 ARG 5 10.282 4.756 4.756
46 1HD ARG 5 HD2 ARG 5 7.900 4.160 4.160
47 2HD ARG 5 HD1 ARG 5 8.123 4.414 4.414
48 HE ARG 5 HE ARG 5 8.645 1.667 1.667
49 1HH1 ARG 5 HH11 ARG 5 5.947 3.258 3.258
50 2HH1 ARG 5 HH12 ARG 5 4.818 2.422 2.422
51 1HH2 ARG 5 HH21 ARG 5 7.268 0.899 0.899
52 2HH2 ARG 5 HH22 ARG 5 5.565 1.091 1.091
53 H PHE 6 HN PHE 6 11.828 3.909 3.909
54 HA PHE 6 HA PHE 6 13.286 1.376 1.376
55 1HB PHE 6 HB2 PHE 6 11.394 1.482 1.482
56 2HB PHE 6 HB1 PHE 6 11.532 3.220 3.220
57 HD1 PHE 6 HD1 PHE 6 13.732 0.269 0.269
58 HD2 PHE 6 HD2 PHE 6 11.954 3.852 3.852
59 HE1 PHE 6 HE1 PHE 6 14.862 -0.099 -0.099
60 HE2 PHE 6 HE2 PHE 6 13.084 3.489 3.489
61 HZ PHE 6 HZ PHE 6 14.551 1.510 1.510
62 H PHE 7 HN PHE 7 13.482 4.846 4.846
63 HA PHE 7 HA PHE 7 16.011 4.553 4.553
64 1HB PHE 7 HB2 PHE 7 15.594 6.716 6.716
65 2HB PHE 7 HB1 PHE 7 13.992 6.365 6.365
66 HD1 PHE 7 HD1 PHE 7 17.355 7.655 7.655
67 HD2 PHE 7 HD2 PHE 7 13.127 7.642 7.642
68 HE1 PHE 7 HE1 PHE 7 17.661 9.442 9.442
69 HE2 PHE 7 HE2 PHE 7 13.437 9.432 9.432
70 HZ PHE 7 HZ PHE 7 15.702 10.330 10.330
71 H LYS 8 HN LYS 8 15.040 5.163 5.163
72 HA LYS 8 HA LYS 8 17.328 6.331 6.331
73 1HB LYS 8 HB2 LYS 8 15.767 6.188 6.188
74 2HB LYS 8 HB1 LYS 8 14.933 4.922 4.922
75 1HG LYS 8 HG2 LYS 8 16.353 3.226 3.226
76 2HG LYS 8 HG1 LYS 8 17.363 4.439 4.439
77 1HD LYS 8 HD2 LYS 8 14.409 4.055 4.055
78 2HD LYS 8 HD1 LYS 8 15.704 3.381 3.381
79 1HE LYS 8 HE2 LYS 8 15.885 6.300 6.300
80 2HE LYS 8 HE1 LYS 8 14.607 5.785 5.785
81 1HZ LYS 8 HZ1 LYS 8 17.364 4.735 4.735
82 2HZ LYS 8 HZ3 LYS 8 16.915 6.177 6.177
83 3HZ LYS 8 HZ2 LYS 8 16.137 4.722 4.722
84 H ALA 9 HN ALA 9 16.546 2.851 2.851
85 HA ALA 9 HA ALA 9 19.036 1.878 1.878
86 1HB ALA 9 HB1 ALA 9 16.815 0.687 0.687
87 2HB ALA 9 HB3 ALA 9 17.169 0.595 0.595
88 3HB ALA 9 HB2 ALA 9 18.213 -0.227 -0.227
89 H LYS 10 HN LYS 10 18.023 3.050 3.050
90 HA LYS 10 HA LYS 10 20.107 1.897 1.897
91 1HB LYS 10 HB2 LYS 10 17.761 3.256 3.256
92 2HB LYS 10 HB1 LYS 10 18.965 4.438 4.438
93 1HG LYS 10 HG2 LYS 10 19.627 1.848 1.848
94 2HG LYS 10 HG1 LYS 10 17.987 2.309 2.309
95 1HD LYS 10 HD2 LYS 10 20.098 4.394 4.394
96 2HD LYS 10 HD1 LYS 10 20.117 3.122 3.122
97 1HE LYS 10 HE2 LYS 10 17.514 3.656 3.656
98 2HE LYS 10 HE1 LYS 10 18.047 5.230 5.230
99 1HZ LYS 10 HZ3 LYS 10 19.606 3.981 3.981
100 2HZ LYS 10 HZ2 LYS 10 18.128 4.710 4.710
101 3HZ LYS 10 HZ1 LYS 10 19.350 5.625 5.625
102 H LYS 11 HN LYS 11 19.657 5.327 5.327
103 HA LYS 11 HA LYS 11 22.139 6.332 6.332
104 1HB LYS 11 HB2 LYS 11 20.116 6.861 6.861
105 2HB LYS 11 HB1 LYS 11 21.644 7.738 7.738
106 1HG LYS 11 HG2 LYS 11 19.748 8.859 8.859
107 2HG LYS 11 HG1 LYS 11 21.300 8.726 8.726
108 1HD LYS 11 HD2 LYS 11 20.490 6.640 6.640
109 2HD LYS 11 HD1 LYS 11 18.915 6.889 6.889
110 1HE LYS 11 HE2 LYS 11 18.490 8.853 8.853
111 2HE LYS 11 HE1 LYS 11 20.199 9.040 9.040
112 1HZ LYS 11 HZ2 LYS 11 19.937 6.721 6.721
113 2HZ LYS 11 HZ1 LYS 11 18.265 7.019 7.019
114 3HZ LYS 11 HZ3 LYS 11 19.271 8.033 8.033
115 H LEU 12 HN LEU 12 21.325 4.318 4.318
116 HA LEU 12 HA LEU 12 23.757 4.699 4.699
117 1HB LEU 12 HB2 LEU 12 21.629 2.557 2.557
118 2HB LEU 12 HB1 LEU 12 22.911 2.619 2.619
119 HG LEU 12 HG LEU 12 20.951 4.865 4.865
120 1HD1 LEU 12 HD13 LEU 12 20.654 2.441 2.441
121 2HD1 LEU 12 HD12 LEU 12 20.746 3.780 3.780
122 3HD1 LEU 12 HD11 LEU 12 19.522 3.788 3.788
123 1HD2 LEU 12 HD23 LEU 12 23.458 4.662 4.662
124 2HD2 LEU 12 HD22 LEU 12 22.485 6.092 6.092
125 3HD2 LEU 12 HD21 LEU 12 22.132 5.107 5.107
126 H ILE 13 HN ILE 13 23.149 3.067 3.067
127 HA ILE 13 HA ILE 13 25.777 1.722 1.722
128 HB ILE 13 HB ILE 13 24.539 -0.322 -0.322
129 1HG1 ILE 13 HG12 ILE 13 22.219 -0.153 -0.153
130 2HG1 ILE 13 HG11 ILE 13 22.324 1.427 1.427
131 1HG2 ILE 13 HG23 ILE 13 25.636 -0.151 -0.151
132 2HG2 ILE 13 HG22 ILE 13 24.040 0.244 0.244
133 3HG2 ILE 13 HG21 ILE 13 24.322 -1.321 -1.321
134 1HD1 ILE 13 HD11 ILE 13 22.708 0.271 0.271
135 2HD1 ILE 13 HD13 ILE 13 22.400 -1.264 -1.264
136 3HD1 ILE 13 HD12 ILE 13 21.123 -0.053 -0.053
137 H GLU 14 HN GLU 14 25.235 3.945 3.945
138 HA GLU 14 HA GLU 14 25.265 2.927 2.927
139 1HB GLU 14 HB2 GLU 14 23.947 5.321 5.321
140 2HB GLU 14 HB1 GLU 14 23.988 5.040 5.040
141 1HG GLU 14 HG2 GLU 14 23.067 2.811 2.811
142 2HG GLU 14 HG1 GLU 14 21.966 4.166 4.166
143 1H CYS 1 HT2 CYS 1 4.266 5.021 5.021
144 2H CYS 1 HT1 CYS 1 2.841 5.025 5.025
145 3H CYS 1 HT3 CYS 1 4.292 5.584 5.584
146 HA CYS 1 HA CYS 1 4.291 7.538 7.538
147 1HB CYS 1 HB2 CYS 1 1.799 6.576 6.576
148 2HB CYS 1 HB1 CYS 1 1.603 7.995 7.995
149 H TYR 2 HN TYR 2 2.872 4.896 4.896
150 HA TYR 2 HA TYR 2 1.867 6.543 6.543
151 1HB TYR 2 HB2 TYR 2 0.779 4.566 4.566
152 2HB TYR 2 HB1 TYR 2 0.925 4.272 4.272
153 HD1 TYR 2 HD1 TYR 2 2.599 3.709 3.709
154 HD2 TYR 2 HD2 TYR 2 2.214 2.466 2.466
155 HE1 TYR 2 HE1 TYR 2 4.041 1.773 1.773
156 HE2 TYR 2 HE2 TYR 2 3.655 0.512 0.512
157 HH TYR 2 HH TYR 2 4.214 -0.750 -0.750
158 H LEU 3 HN LEU 3 4.587 4.744 4.744
159 HA LEU 3 HA LEU 3 6.043 3.979 3.979
160 1HB LEU 3 HB2 LEU 3 6.575 5.097 5.097
161 2HB LEU 3 HB1 LEU 3 7.940 5.123 5.123
162 HG LEU 3 HG LEU 3 7.501 2.709 2.709
163 1HD1 LEU 3 HD12 LEU 3 5.073 2.947 2.947
164 2HD1 LEU 3 HD11 LEU 3 5.780 2.764 2.764
165 3HD1 LEU 3 HD13 LEU 3 5.950 1.474 1.474
166 1HD2 LEU 3 HD22 LEU 3 8.772 3.951 3.951
167 2HD2 LEU 3 HD21 LEU 3 9.034 2.295 2.295
168 3HD2 LEU 3 HD23 LEU 3 7.859 2.626 2.626
169 H ARG 4 HN ARG 4 6.022 7.247 7.247
170 HA ARG 4 HA ARG 4 7.582 8.691 8.691
171 1HB ARG 4 HB2 ARG 4 5.694 10.494 10.494
172 2HB ARG 4 HB1 ARG 4 6.551 9.916 9.916
173 1HG ARG 4 HG2 ARG 4 4.276 9.841 9.841
174 2HG ARG 4 HG1 ARG 4 4.635 8.178 8.178
175 1HD ARG 4 HD2 ARG 4 3.387 8.272 8.272
176 2HD ARG 4 HD1 ARG 4 3.547 10.034 10.034
177 HE ARG 4 HE ARG 4 1.553 8.600 8.600
178 1HH1 ARG 4 HH11 ARG 4 2.686 11.604 11.604
179 2HH1 ARG 4 HH12 ARG 4 1.987 12.506 12.506
180 1HH2 ARG 4 HH21 ARG 4 0.988 9.694 9.694
181 2HH2 ARG 4 HH22 ARG 4 1.026 11.425 11.425
182 H ARG 5 HN ARG 5 4.516 7.147 7.147
183 HA ARG 5 HA ARG 5 4.244 8.484 8.484
184 1HB ARG 5 HB2 ARG 5 2.085 7.699 7.699
185 2HB ARG 5 HB1 ARG 5 2.463 7.543 7.543
186 1HG ARG 5 HG2 ARG 5 3.326 5.163 5.163
187 2HG ARG 5 HG1 ARG 5 2.339 5.403 5.403
188 1HD ARG 5 HD2 ARG 5 1.364 5.572 5.572
189 2HD ARG 5 HD1 ARG 5 0.995 4.280 4.280
190 HE ARG 5 HE ARG 5 0.185 6.439 6.439
191 1HH1 ARG 5 HH21 ARG 5 0.240 7.099 7.099
192 2HH1 ARG 5 HH22 ARG 5 -1.472 7.256 7.256
193 1HH2 ARG 5 HH11 ARG 5 -2.249 5.994 5.994
194 2HH2 ARG 5 HH12 ARG 5 -2.879 6.634 6.634
195 H PHE 6 HN PHE 6 5.197 5.348 5.348
196 HA PHE 6 HA PHE 6 5.665 4.211 4.211
197 1HB PHE 6 HB2 PHE 6 4.960 2.520 2.520
198 2HB PHE 6 HB1 PHE 6 5.521 3.347 3.347
199 HD1 PHE 6 HD1 PHE 6 7.153 2.242 2.242
200 HD2 PHE 6 HD2 PHE 6 7.038 1.910 1.910
201 HE1 PHE 6 HE1 PHE 6 9.113 0.752 0.752
202 HE2 PHE 6 HE2 PHE 6 8.998 0.421 0.421
203 HZ PHE 6 HZ PHE 6 10.055 -0.169 -0.169
204 H PHE 7 HN PHE 7 7.531 5.078 5.078
205 HA PHE 7 HA PHE 7 10.128 4.544 4.544
206 1HB PHE 7 HB2 PHE 7 8.781 6.010 6.010
207 2HB PHE 7 HB1 PHE 7 9.738 7.230 7.230
208 HD1 PHE 7 HD1 PHE 7 12.235 6.777 6.777
209 HD2 PHE 7 HD2 PHE 7 9.799 4.562 4.562
210 HE1 PHE 7 HE1 PHE 7 14.273 6.013 6.013
211 HE2 PHE 7 HE2 PHE 7 11.836 3.799 3.799
212 HZ PHE 7 HZ PHE 7 14.076 4.525 4.525
213 H LYS 8 HN LYS 8 8.067 7.129 7.129
214 HA LYS 8 HA LYS 8 9.776 8.852 8.852
215 1HB LYS 8 HB2 LYS 8 7.739 9.388 9.388
216 2HB LYS 8 HB1 LYS 8 7.138 7.855 7.855
217 1HG LYS 8 HG2 LYS 8 7.503 6.780 6.780
218 2HG LYS 8 HG1 LYS 8 8.534 8.081 8.081
219 1HD LYS 8 HD2 LYS 8 5.550 8.246 8.246
220 2HD LYS 8 HD1 LYS 8 6.339 8.253 8.253
221 1HE LYS 8 HE2 LYS 8 7.625 10.307 10.307
222 2HE LYS 8 HE1 LYS 8 5.912 10.478 10.478
223 1HZ LYS 8 HZ3 LYS 8 5.461 10.074 10.074
224 2HZ LYS 8 HZ2 LYS 8 7.114 10.370 10.370
225 3HZ LYS 8 HZ1 LYS 8 6.125 11.583 11.583
226 H ALA 9 HN ALA 9 9.166 5.503 5.503
227 HA ALA 9 HA ALA 9 10.893 5.686 5.686
228 1HB ALA 9 HB1 ALA 9 8.761 4.091 4.091
229 2HB ALA 9 HB3 ALA 9 10.162 3.019 3.019
230 3HB ALA 9 HB2 ALA 9 9.673 3.867 3.867
231 H LYS 10 HN LYS 10 10.967 4.476 4.476
232 HA LYS 10 HA LYS 10 13.286 2.918 2.918
233 1HB LYS 10 HB2 LYS 10 11.520 3.547 3.547
234 2HB LYS 10 HB1 LYS 10 12.633 4.861 4.861
235 1HG LYS 10 HG2 LYS 10 13.691 3.381 3.381
236 2HG LYS 10 HG1 LYS 10 14.329 2.702 2.702
237 1HD LYS 10 HD2 LYS 10 13.296 0.780 0.780
238 2HD LYS 10 HD1 LYS 10 11.781 1.601 1.601
239 1HE LYS 10 HE2 LYS 10 11.204 1.312 1.312
240 2HE LYS 10 HE1 LYS 10 12.466 2.492 2.492
241 1HZ LYS 10 HZ2 LYS 10 13.171 -0.310 -0.310
242 2HZ LYS 10 HZ1 LYS 10 12.649 0.125 0.125
243 3HZ LYS 10 HZ3 LYS 10 14.038 0.841 0.841
244 H LYS 11 HN LYS 11 12.994 6.452 6.452
245 HA LYS 11 HA LYS 11 15.655 7.136 7.136
246 1HB LYS 11 HB2 LYS 11 13.559 8.472 8.472
247 2HB LYS 11 HB1 LYS 11 15.003 9.274 9.274
248 1HG LYS 11 HG2 LYS 11 13.265 7.858 7.858
249 2HG LYS 11 HG1 LYS 11 12.673 9.383 9.383
250 1HD LYS 11 HD2 LYS 11 15.449 9.686 9.686
251 2HD LYS 11 HD1 LYS 11 14.611 9.009 9.009
252 1HE LYS 11 HE2 LYS 11 12.876 10.994 10.994
253 2HE LYS 11 HE1 LYS 11 14.497 11.716 11.716
254 1HZ LYS 11 HZ3 LYS 11 13.701 10.094 10.094
255 2HZ LYS 11 HZ2 LYS 11 13.145 11.696 11.696
256 3HZ LYS 11 HZ1 LYS 11 14.813 11.373 11.373
257 H LEU 12 HN LEU 12 14.103 6.119 6.119
258 HA LEU 12 HA LEU 12 16.290 6.807 6.807
259 1HB LEU 12 HB2 LEU 12 13.980 4.867 4.867
260 2HB LEU 12 HB1 LEU 12 15.015 5.366 5.366
261 HG LEU 12 HG LEU 12 13.136 7.086 7.086
262 1HD1 LEU 12 HD13 LEU 12 13.193 5.905 5.905
263 2HD1 LEU 12 HD12 LEU 12 12.817 7.629 7.629
264 3HD1 LEU 12 HD11 LEU 12 11.824 6.506 6.506
265 1HD2 LEU 12 HD21 LEU 12 15.375 7.887 7.887
266 2HD2 LEU 12 HD23 LEU 12 15.162 8.374 8.374
267 3HD2 LEU 12 HD22 LEU 12 14.055 8.970 8.970
268 H ILE 13 HN ILE 13 15.855 4.298 4.298
269 HA ILE 13 HA ILE 13 18.178 2.844 2.844
270 HB ILE 13 HB ILE 13 16.843 0.821 0.821
271 1HG1 ILE 13 HG12 ILE 13 14.532 2.103 2.103
272 2HG1 ILE 13 HG11 ILE 13 14.978 2.736 2.736
273 1HG2 ILE 13 HG21 ILE 13 17.479 1.553 1.553
274 2HG2 ILE 13 HG23 ILE 13 15.728 1.349 1.349
275 3HG2 ILE 13 HG22 ILE 13 16.749 0.017 0.017
276 1HD1 ILE 13 HD13 ILE 13 15.090 -0.160 -0.160
277 2HD1 ILE 13 HD12 ILE 13 13.491 0.419 0.419
278 3HD1 ILE 13 HD11 ILE 13 14.188 0.910 0.910
279 H GLU 14 HN GLU 14 18.428 4.748 4.748
280 HA GLU 14 HA GLU 14 19.012 3.187 3.187
281 1HB GLU 14 HB2 GLU 14 18.100 6.012 6.012
282 2HB GLU 14 HB1 GLU 14 18.514 5.378 5.378
283 1HG GLU 14 HG2 GLU 14 16.665 3.717 3.717
284 2HG GLU 14 HG1 GLU 14 16.008 5.274 5.274
285 1H CYS 1 HT2 CYS 1 22.565 -6.039 -6.039
286 2H CYS 1 HT1 CYS 1 23.650 -6.897 -6.897
287 3H CYS 1 HT3 CYS 1 22.003 -7.302 -7.302
288 HA CYS 1 HA CYS 1 22.375 -6.058 -6.058
289 1HB CYS 1 HB2 CYS 1 23.618 -3.965 -3.965
290 2HB CYS 1 HB1 CYS 1 24.564 -5.196 -5.196
291 H TYR 2 HN TYR 2 20.109 -6.454 -6.454
292 HA TYR 2 HA TYR 2 18.732 -3.934 -3.934
293 1HB TYR 2 HB2 TYR 2 19.604 -4.534 -4.534
294 2HB TYR 2 HB1 TYR 2 18.008 -5.300 -5.300
295 HD1 TYR 2 HD1 TYR 2 19.342 -2.315 -2.315
296 HD2 TYR 2 HD2 TYR 2 16.483 -3.848 -3.848
297 HE1 TYR 2 HE1 TYR 2 18.274 -0.112 -0.112
298 HE2 TYR 2 HE2 TYR 2 15.398 -1.628 -1.628
299 HH TYR 2 HH TYR 2 15.644 0.574 0.574
300 H LEU 3 HN LEU 3 16.351 -4.989 -4.989
301 HA LEU 3 HA LEU 3 14.558 -6.426 -6.426
302 1HB LEU 3 HB2 LEU 3 16.713 -8.190 -8.190
303 2HB LEU 3 HB1 LEU 3 15.163 -8.700 -8.700
304 HG LEU 3 HG LEU 3 16.224 -7.281 -7.281
305 1HD1 LEU 3 HD11 LEU 3 18.413 -8.211 -8.211
306 2HD1 LEU 3 HD13 LEU 3 18.557 -8.725 -8.725
307 3HD1 LEU 3 HD12 LEU 3 18.432 -7.010 -7.010
308 1HD2 LEU 3 HD21 LEU 3 15.789 -10.073 -10.073
309 2HD2 LEU 3 HD23 LEU 3 15.477 -9.253 -9.253
310 3HD2 LEU 3 HD22 LEU 3 17.089 -9.878 -9.878
311 H ARG 4 HN ARG 4 16.924 -7.109 -7.109
312 HA ARG 4 HA ARG 4 15.091 -6.987 -6.987
313 1HB ARG 4 HB2 ARG 4 17.218 -6.468 -6.468
314 2HB ARG 4 HB1 ARG 4 17.292 -7.904 -7.904
315 1HG ARG 4 HG2 ARG 4 19.206 -6.990 -6.990
316 2HG ARG 4 HG1 ARG 4 18.139 -5.943 -5.943
317 1HD ARG 4 HD2 ARG 4 18.765 -4.122 -4.122
318 2HD ARG 4 HD1 ARG 4 18.505 -4.964 -4.964
319 HE ARG 4 HE ARG 4 21.038 -4.828 -4.828
320 1HH1 ARG 4 HH11 ARG 4 19.857 -5.105 -5.105
321 2HH1 ARG 4 HH12 ARG 4 20.859 -6.424 -6.424
322 1HH2 ARG 4 HH21 ARG 4 22.018 -7.121 -7.121
323 2HH2 ARG 4 HH22 ARG 4 22.082 -7.562 -7.562
324 H ARG 5 HN ARG 5 17.259 -4.390 -4.390
325 HA ARG 5 HA ARG 5 15.861 -2.388 -2.388
326 1HB ARG 5 HB2 ARG 5 17.520 -0.877 -0.877
327 2HB ARG 5 HB1 ARG 5 18.308 -2.353 -2.353
328 1HG ARG 5 HG2 ARG 5 17.627 -3.091 -3.091
329 2HG ARG 5 HG1 ARG 5 17.889 -1.361 -1.361
330 1HD ARG 5 HD2 ARG 5 19.880 -3.166 -3.166
331 2HD ARG 5 HD1 ARG 5 19.980 -2.747 -2.747
332 HE ARG 5 HE ARG 5 19.747 -0.284 -0.284
333 1HH1 ARG 5 HH11 ARG 5 22.494 -1.118 -1.118
334 2HH1 ARG 5 HH12 ARG 5 23.306 -0.993 -0.993
335 1HH2 ARG 5 HH21 ARG 5 20.378 -0.921 -0.921
336 2HH2 ARG 5 HH22 ARG 5 22.108 -0.877 -0.877
337 H PHE 6 HN PHE 6 15.177 -3.938 -3.938
338 HA PHE 6 HA PHE 6 13.968 -1.551 -1.551
339 1HB PHE 6 HB2 PHE 6 15.393 -2.757 -2.757
340 2HB PHE 6 HB1 PHE 6 14.713 -4.291 -4.291
341 HD1 PHE 6 HD1 PHE 6 13.923 -1.135 -1.135
342 HD2 PHE 6 HD2 PHE 6 12.881 -5.235 -5.235
343 HE1 PHE 6 HE1 PHE 6 12.276 -1.002 -1.002
344 HE2 PHE 6 HE2 PHE 6 11.229 -5.113 -5.113
345 HZ PHE 6 HZ PHE 6 10.912 -2.990 -2.990
346 H PHE 7 HN PHE 7 13.102 -4.921 -4.921
347 HA PHE 7 HA PHE 7 10.309 -4.551 -4.551
348 1HB PHE 7 HB2 PHE 7 10.182 -6.795 -6.795
349 2HB PHE 7 HB1 PHE 7 11.920 -6.672 -6.672
350 HD1 PHE 7 HD1 PHE 7 13.359 -7.442 -7.442
351 HD2 PHE 7 HD2 PHE 7 9.374 -6.246 -6.246
352 HE1 PHE 7 HE1 PHE 7 13.763 -8.184 -8.184
353 HE2 PHE 7 HE2 PHE 7 9.780 -6.989 -6.989
354 HZ PHE 7 HZ PHE 7 11.973 -7.959 -7.959
355 H LYS 8 HN LYS 8 12.328 -4.130 -4.130
356 HA LYS 8 HA LYS 8 10.471 -4.025 -4.025
357 1HB LYS 8 HB2 LYS 8 13.082 -3.092 -3.092
358 2HB LYS 8 HB1 LYS 8 12.212 -1.801 -1.801
359 1HG LYS 8 HG2 LYS 8 11.452 -3.789 -3.789
360 2HG LYS 8 HG1 LYS 8 12.938 -4.529 -4.529
361 1HD LYS 8 HD2 LYS 8 13.304 -1.721 -1.721
362 2HD LYS 8 HD1 LYS 8 12.769 -2.710 -2.710
363 1HE LYS 8 HE2 LYS 8 14.893 -3.475 -3.475
364 2HE LYS 8 HE1 LYS 8 14.738 -4.225 -4.225
365 1HZ LYS 8 HZ3 LYS 8 15.290 -1.335 -1.335
366 2HZ LYS 8 HZ2 LYS 8 16.539 -2.481 -2.481
367 3HZ LYS 8 HZ1 LYS 8 15.462 -2.270 -2.270
368 H ALA 9 HN ALA 9 11.298 -1.365 -1.365
369 HA ALA 9 HA ALA 9 9.306 0.427 0.427
370 1HB ALA 9 HB3 ALA 9 11.524 0.470 0.470
371 2HB ALA 9 HB2 ALA 9 10.146 0.953 0.953
372 3HB ALA 9 HB1 ALA 9 10.537 1.851 1.851
373 H LYS 10 HN LYS 10 9.353 -2.109 -2.109
374 HA LYS 10 HA LYS 10 7.141 -1.388 -1.388
375 1HB LYS 10 HB2 LYS 10 8.992 -3.260 -3.260
376 2HB LYS 10 HB1 LYS 10 7.744 -4.185 -4.185
377 1HG LYS 10 HG2 LYS 10 7.147 -4.653 -4.653
378 2HG LYS 10 HG1 LYS 10 6.219 -3.173 -3.173
379 1HD LYS 10 HD2 LYS 10 7.543 -1.959 -1.959
380 2HD LYS 10 HD1 LYS 10 9.016 -2.765 -2.765
381 1HE LYS 10 HE2 LYS 10 8.509 -3.326 -3.326
382 2HE LYS 10 HE1 LYS 10 8.391 -4.770 -4.770
383 1HZ LYS 10 HZ1 LYS 10 6.002 -3.118 -3.118
384 2HZ LYS 10 HZ3 LYS 10 6.422 -3.983 -3.983
385 3HZ LYS 10 HZ2 LYS 10 6.150 -4.810 -4.810
386 H LYS 11 HN LYS 11 7.236 -3.690 -3.690
387 HA LYS 11 HA LYS 11 4.542 -4.248 -4.248
388 1HB LYS 11 HB2 LYS 11 5.196 -5.146 -5.146
389 2HB LYS 11 HB1 LYS 11 6.805 -4.739 -4.739
390 1HG LYS 11 HG2 LYS 11 6.863 -3.733 -3.733
391 2HG LYS 11 HG1 LYS 11 6.257 -2.402 -2.402
392 1HD LYS 11 HD2 LYS 11 3.909 -3.528 -3.528
393 2HD LYS 11 HD1 LYS 11 4.807 -4.108 -4.108
394 1HE LYS 11 HE2 LYS 11 4.845 -1.193 -1.193
395 2HE LYS 11 HE1 LYS 11 3.630 -1.847 -1.847
396 1HZ LYS 11 HZ2 LYS 11 5.680 -2.925 -2.925
397 2HZ LYS 11 HZ1 LYS 11 6.554 -1.703 -1.703
398 3HZ LYS 11 HZ3 LYS 11 5.337 -1.291 -1.291
399 H LEU 12 HN LEU 12 6.156 -1.237 -1.237
400 HA LEU 12 HA LEU 12 3.980 -0.087 -0.087
401 1HB LEU 12 HB2 LEU 12 6.504 0.856 0.856
402 2HB LEU 12 HB1 LEU 12 5.377 2.027 2.027
403 HG LEU 12 HG LEU 12 6.496 -0.338 -0.338
404 1HD1 LEU 12 HD12 LEU 12 7.869 1.954 1.954
405 2HD1 LEU 12 HD11 LEU 12 7.318 2.331 2.331
406 3HD1 LEU 12 HD13 LEU 12 8.301 0.896 0.896
407 1HD2 LEU 12 HD23 LEU 12 4.277 1.308 1.308
408 2HD2 LEU 12 HD22 LEU 12 5.069 0.268 0.268
409 3HD2 LEU 12 HD21 LEU 12 5.538 1.963 1.963
410 H ILE 13 HN ILE 13 4.317 -0.785 -0.785
411 HA ILE 13 HA ILE 13 2.100 1.065 1.065
412 HB ILE 13 HB ILE 13 3.415 1.406 1.406
413 1HG1 ILE 13 HG12 ILE 13 5.956 1.566 1.566
414 2HG1 ILE 13 HG11 ILE 13 5.429 0.144 0.144
415 1HG2 ILE 13 HG22 ILE 13 2.957 3.031 3.031
416 2HG2 ILE 13 HG21 ILE 13 4.678 2.804 2.804
417 3HG2 ILE 13 HG23 ILE 13 4.146 3.469 3.469
418 1HD1 ILE 13 HD11 ILE 13 4.541 0.129 0.129
419 2HD1 ILE 13 HD13 ILE 13 6.297 0.170 0.170
420 3HD1 ILE 13 HD12 ILE 13 5.374 -1.126 -1.126
421 H GLU 14 HN GLU 14 1.938 -1.630 -1.630
422 HA GLU 14 HA GLU 14 1.395 -2.737 -2.737
423 1HB GLU 14 HB2 GLU 14 2.486 -3.956 -3.956
424 2HB GLU 14 HB1 GLU 14 2.123 -4.885 -4.885
425 1HG GLU 14 HG2 GLU 14 3.806 -2.460 -2.460
426 2HG GLU 14 HG1 GLU 14 4.560 -3.825 -3.825
427 1H CYS 1 HT1 CYS 1 25.999 -3.940 -3.940
428 2H CYS 1 HT3 CYS 1 26.155 -5.224 -5.224
429 3H CYS 1 HT2 CYS 1 25.244 -5.430 -5.430
430 HA CYS 1 HA CYS 1 23.674 -5.131 -5.131
431 1HB CYS 1 HB2 CYS 1 25.850 -3.324 -3.324
432 2HB CYS 1 HB1 CYS 1 24.233 -2.689 -2.689
433 H TYR 2 HN TYR 2 24.646 -3.731 -3.731
434 HA TYR 2 HA TYR 2 22.403 -1.754 -1.754
435 1HB TYR 2 HB2 TYR 2 23.742 -0.449 -0.449
436 2HB TYR 2 HB1 TYR 2 24.994 -1.245 -1.245
437 HD1 TYR 2 HD1 TYR 2 26.571 -2.684 -2.684
438 HD2 TYR 2 HD2 TYR 2 23.027 -1.517 -1.517
439 HE1 TYR 2 HE1 TYR 2 27.434 -3.775 -3.775
440 HE2 TYR 2 HE2 TYR 2 23.878 -2.598 -2.598
441 HH TYR 2 HH TYR 2 25.985 -4.794 -4.794
442 H LEU 3 HN LEU 3 23.773 -4.654 -4.654
443 HA LEU 3 HA LEU 3 22.629 -4.998 -4.998
444 1HB LEU 3 HB2 LEU 3 23.339 -6.674 -6.674
445 2HB LEU 3 HB1 LEU 3 22.265 -7.437 -7.437
446 HG LEU 3 HG LEU 3 23.835 -6.922 -6.922
447 1HD1 LEU 3 HD12 LEU 3 24.644 -4.812 -4.812
448 2HD1 LEU 3 HD11 LEU 3 25.738 -5.886 -5.886
449 3HD1 LEU 3 HD13 LEU 3 25.858 -5.741 -5.741
450 1HD2 LEU 3 HD21 LEU 3 24.955 -8.298 -8.298
451 2HD2 LEU 3 HD23 LEU 3 24.263 -9.038 -9.038
452 3HD2 LEU 3 HD22 LEU 3 25.841 -8.254 -8.254
453 H ARG 4 HN ARG 4 21.109 -5.993 -5.993
454 HA ARG 4 HA ARG 4 18.545 -6.583 -6.583
455 1HB ARG 4 HB2 ARG 4 17.854 -5.928 -5.928
456 2HB ARG 4 HB1 ARG 4 19.372 -6.812 -6.812
457 1HG ARG 4 HG2 ARG 4 19.442 -3.824 -3.824
458 2HG ARG 4 HG1 ARG 4 19.090 -4.544 -4.544
459 1HD ARG 4 HD2 ARG 4 21.638 -4.580 -4.580
460 2HD ARG 4 HD1 ARG 4 21.390 -4.450 -4.450
461 HE ARG 4 HE ARG 4 21.713 -6.925 -6.925
462 1HH1 ARG 4 HH21 ARG 4 21.455 -5.609 -5.609
463 2HH1 ARG 4 HH22 ARG 4 20.666 -6.966 -6.966
464 1HH2 ARG 4 HH11 ARG 4 20.113 -8.604 -8.604
465 2HH2 ARG 4 HH12 ARG 4 19.906 -8.663 -8.663
466 H ARG 5 HN ARG 5 20.143 -3.491 -3.491
467 HA ARG 5 HA ARG 5 17.655 -1.979 -1.979
468 1HB ARG 5 HB2 ARG 5 18.880 -0.307 -0.307
469 2HB ARG 5 HB1 ARG 5 20.125 -1.514 -1.514
470 1HG ARG 5 HG2 ARG 5 20.912 -1.022 -1.022
471 2HG ARG 5 HG1 ARG 5 19.898 0.415 0.415
472 1HD ARG 5 HD2 ARG 5 21.946 -0.201 -0.201
473 2HD ARG 5 HD1 ARG 5 22.372 0.706 0.706
474 HE ARG 5 HE ARG 5 20.308 2.168 2.168
475 1HH1 ARG 5 HH21 ARG 5 22.963 2.742 2.742
476 2HH1 ARG 5 HH22 ARG 5 22.450 2.858 2.858
477 1HH2 ARG 5 HH11 ARG 5 19.380 1.349 1.349
478 2HH2 ARG 5 HH12 ARG 5 20.421 2.071 2.071
479 H PHE 6 HN PHE 6 20.425 -3.163 -3.163
480 HA PHE 6 HA PHE 6 19.740 -1.614 -1.614
481 1HB PHE 6 HB2 PHE 6 21.998 -1.805 -1.805
482 2HB PHE 6 HB1 PHE 6 21.927 -3.219 -3.219
483 HD1 PHE 6 HD1 PHE 6 21.865 -5.442 -5.442
484 HD2 PHE 6 HD2 PHE 6 21.897 -1.998 -1.998
485 HE1 PHE 6 HE1 PHE 6 22.412 -6.878 -6.878
486 HE2 PHE 6 HE2 PHE 6 22.442 -3.427 -3.427
487 HZ PHE 6 HZ PHE 6 22.701 -5.880 -5.880
488 H PHE 7 HN PHE 7 19.866 -5.100 -5.100
489 HA PHE 7 HA PHE 7 18.754 -5.946 -5.946
490 1HB PHE 7 HB2 PHE 7 19.204 -8.012 -8.012
491 2HB PHE 7 HB1 PHE 7 20.058 -7.099 -7.099
492 HD1 PHE 7 HD1 PHE 7 16.578 -8.313 -8.313
493 HD2 PHE 7 HD2 PHE 7 19.566 -7.552 -7.552
494 HE1 PHE 7 HE1 PHE 7 15.095 -9.289 -9.289
495 HE2 PHE 7 HE2 PHE 7 18.086 -8.521 -8.521
496 HZ PHE 7 HZ PHE 7 15.848 -9.393 -9.393
497 H LYS 8 HN LYS 8 17.328 -4.920 -4.920
498 HA LYS 8 HA LYS 8 14.732 -5.919 -5.919
499 1HB LYS 8 HB2 LYS 8 16.143 -3.727 -3.727
500 2HB LYS 8 HB1 LYS 8 14.489 -3.276 -3.276
501 1HG LYS 8 HG2 LYS 8 13.704 -5.366 -5.366
502 2HG LYS 8 HG1 LYS 8 15.365 -5.673 -5.673
503 1HD LYS 8 HD2 LYS 8 15.099 -3.115 -3.115
504 2HD LYS 8 HD1 LYS 8 13.428 -3.660 -3.660
505 1HE LYS 8 HE2 LYS 8 14.316 -5.684 -5.684
506 2HE LYS 8 HE1 LYS 8 15.888 -4.860 -4.860
507 1HZ LYS 8 HZ1 LYS 8 13.474 -3.359 -3.359
508 2HZ LYS 8 HZ3 LYS 8 14.138 -4.427 -4.427
509 3HZ LYS 8 HZ2 LYS 8 15.075 -3.148 -3.148
510 H ALA 9 HN ALA 9 15.887 -2.798 -2.798
511 HA ALA 9 HA ALA 9 13.582 -2.096 -2.096
512 1HB ALA 9 HB1 ALA 9 15.733 -0.803 -0.803
513 2HB ALA 9 HB3 ALA 9 16.440 -1.594 -1.594
514 3HB ALA 9 HB2 ALA 9 15.051 -0.524 -0.524
515 H LYS 10 HN LYS 10 16.300 -4.200 -4.200
516 HA LYS 10 HA LYS 10 15.859 -4.562 -4.562
517 1HB LYS 10 HB2 LYS 10 17.656 -5.313 -5.313
518 2HB LYS 10 HB1 LYS 10 16.704 -6.784 -6.784
519 1HG LYS 10 HG2 LYS 10 17.241 -5.706 -5.706
520 2HG LYS 10 HG1 LYS 10 18.720 -6.103 -6.103
521 1HD LYS 10 HD2 LYS 10 16.422 -8.016 -8.016
522 2HD LYS 10 HD1 LYS 10 17.512 -7.978 -7.978
523 1HE LYS 10 HE2 LYS 10 19.383 -8.052 -8.052
524 2HE LYS 10 HE1 LYS 10 18.073 -8.795 -8.795
525 1HZ LYS 10 HZ1 LYS 10 17.741 -10.026 -10.026
526 2HZ LYS 10 HZ3 LYS 10 19.415 -9.769 -9.769
527 3HZ LYS 10 HZ2 LYS 10 18.751 -10.640 -10.640
528 H LYS 11 HN LYS 11 15.014 -6.983 -6.983
529 HA LYS 11 HA LYS 11 13.319 -8.600 -8.600
530 1HB LYS 11 HB2 LYS 11 13.178 -7.589 -7.589
531 2HB LYS 11 HB1 LYS 11 12.149 -8.894 -8.894
532 1HG LYS 11 HG2 LYS 11 15.152 -8.969 -8.969
533 2HG LYS 11 HG1 LYS 11 14.351 -9.587 -9.587
534 1HD LYS 11 HD2 LYS 11 12.921 -11.021 -11.021
535 2HD LYS 11 HD1 LYS 11 13.944 -10.519 -10.519
536 1HE LYS 11 HE2 LYS 11 15.884 -11.296 -11.296
537 2HE LYS 11 HE1 LYS 11 14.576 -12.349 -12.349
538 1HZ LYS 11 HZ2 LYS 11 14.177 -12.587 -12.587
539 2HZ LYS 11 HZ1 LYS 11 15.839 -12.235 -12.235
540 3HZ LYS 11 HZ3 LYS 11 15.291 -13.581 -13.581
541 H LEU 12 HN LEU 12 12.578 -5.407 -5.407
542 HA LEU 12 HA LEU 12 9.761 -5.455 -5.455
543 1HB LEU 12 HB2 LEU 12 11.904 -3.381 -3.381
544 2HB LEU 12 HB1 LEU 12 10.251 -2.878 -2.878
545 HG LEU 12 HG LEU 12 11.127 -4.617 -4.617
546 1HD1 LEU 12 HD12 LEU 12 10.258 -1.735 -1.735
547 2HD1 LEU 12 HD11 LEU 12 10.148 -2.602 -2.602
548 3HD1 LEU 12 HD13 LEU 12 11.716 -2.371 -2.371
549 1HD2 LEU 12 HD23 LEU 12 8.491 -3.983 -3.983
550 2HD2 LEU 12 HD22 LEU 12 8.985 -5.388 -5.388
551 3HD2 LEU 12 HD21 LEU 12 8.573 -3.879 -3.879
552 H ILE 13 HN ILE 13 12.328 -5.260 -5.260
553 HA ILE 13 HA ILE 13 10.339 -4.709 -4.709
554 HB ILE 13 HB ILE 13 12.175 -3.123 -3.123
555 1HG1 ILE 13 HG12 ILE 13 12.996 -1.926 -1.926
556 2HG1 ILE 13 HG11 ILE 13 13.134 -3.626 -3.626
557 1HG2 ILE 13 HG21 ILE 13 9.854 -2.537 -2.537
558 2HG2 ILE 13 HG23 ILE 13 10.620 -2.160 -2.160
559 3HG2 ILE 13 HG22 ILE 13 11.051 -1.244 -1.244
560 1HD1 ILE 13 HD13 ILE 13 14.133 -2.892 -2.892
561 2HD1 ILE 13 HD12 ILE 13 15.064 -2.262 -2.262
562 3HD1 ILE 13 HD11 ILE 13 14.816 -4.000 -4.000
563 H GLU 14 HN GLU 14 11.460 -7.125 -7.125
564 HA GLU 14 HA GLU 14 13.263 -7.519 -7.519
565 1HB GLU 14 HB2 GLU 14 13.303 -8.651 -8.651
566 2HB GLU 14 HB1 GLU 14 14.393 -9.182 -9.182
567 1HG GLU 14 HG2 GLU 14 14.179 -6.260 -6.260
568 2HG GLU 14 HG1 GLU 14 15.078 -7.238 -7.238
Start of MODEL 3
1 1H CYS 1 HT1 CYS 1 3.165 3.950 3.950
2 2H CYS 1 HT3 CYS 1 2.285 5.394 5.394
3 3H CYS 1 HT2 CYS 1 3.983 5.437 5.437
4 HA CYS 1 HA CYS 1 3.393 5.758 5.758
5 1HB CYS 1 HB2 CYS 1 1.283 3.981 3.981
6 2HB CYS 1 HB1 CYS 1 1.956 3.414 3.414
7 H TYR 2 HN TYR 2 5.055 3.783 3.783
8 HA TYR 2 HA TYR 2 6.164 2.233 2.233
9 1HB TYR 2 HB2 TYR 2 6.363 0.398 0.398
10 2HB TYR 2 HB1 TYR 2 4.941 1.170 1.170
11 HD1 TYR 2 HD1 TYR 2 8.638 0.988 0.988
12 HD2 TYR 2 HD2 TYR 2 4.975 1.986 1.986
13 HE1 TYR 2 HE1 TYR 2 9.885 1.333 1.333
14 HE2 TYR 2 HE2 TYR 2 6.209 2.328 2.328
15 HH TYR 2 HH TYR 2 8.513 2.856 2.856
16 H LEU 3 HN LEU 3 6.772 4.377 4.377
17 HA LEU 3 HA LEU 3 9.500 4.226 4.226
18 1HB LEU 3 HB2 LEU 3 7.474 6.357 6.357
19 2HB LEU 3 HB1 LEU 3 9.143 6.900 6.900
20 HG LEU 3 HG LEU 3 9.493 5.638 5.638
21 1HD1 LEU 3 HD12 LEU 3 7.807 3.851 3.851
22 2HD1 LEU 3 HD11 LEU 3 6.560 4.950 4.950
23 3HD1 LEU 3 HD13 LEU 3 7.790 4.336 4.336
24 1HD2 LEU 3 HD21 LEU 3 7.208 7.562 7.562
25 2HD2 LEU 3 HD23 LEU 3 8.802 7.785 7.785
26 3HD2 LEU 3 HD22 LEU 3 7.591 6.806 6.806
27 H ARG 4 HN ARG 4 7.909 6.075 6.075
28 HA ARG 4 HA ARG 4 10.077 6.965 6.965
29 1HB ARG 4 HB2 ARG 4 7.707 5.671 5.671
30 2HB ARG 4 HB1 ARG 4 8.502 7.192 7.192
31 1HG ARG 4 HG2 ARG 4 6.717 8.140 8.140
32 2HG ARG 4 HG1 ARG 4 7.565 7.715 7.715
33 1HD ARG 4 HD2 ARG 4 6.301 5.602 5.602
34 2HD ARG 4 HD1 ARG 4 5.528 5.928 5.928
35 HE ARG 4 HE ARG 4 4.742 7.121 7.121
36 1HH1 ARG 4 HH21 ARG 4 4.999 7.538 7.538
37 2HH1 ARG 4 HH22 ARG 4 4.002 8.954 8.954
38 1HH2 ARG 4 HH11 ARG 4 3.572 9.073 9.073
39 2HH2 ARG 4 HH12 ARG 4 3.194 9.821 9.821
40 H ARG 5 HN ARG 5 8.556 3.781 3.781
41 HA ARG 5 HA ARG 5 10.299 2.581 2.581
42 1HB ARG 5 HB2 ARG 5 8.303 1.503 1.503
43 2HB ARG 5 HB1 ARG 5 8.074 1.840 1.840
44 1HG ARG 5 HG2 ARG 5 10.170 -0.113 -0.113
45 2HG ARG 5 HG1 ARG 5 8.482 -0.616 -0.616
46 1HD ARG 5 HD2 ARG 5 8.700 -0.855 -0.855
47 2HD ARG 5 HD1 ARG 5 9.149 0.860 0.860
48 HE ARG 5 HE ARG 5 11.423 -0.233 -0.233
49 1HH1 ARG 5 HH21 ARG 5 9.406 -0.844 -0.844
50 2HH1 ARG 5 HH22 ARG 5 10.631 -1.680 -1.680
51 1HH2 ARG 5 HH11 ARG 5 13.006 -1.443 -1.443
52 2HH2 ARG 5 HH12 ARG 5 12.666 -2.022 -2.022
53 H PHE 6 HN PHE 6 10.173 2.616 2.616
54 HA PHE 6 HA PHE 6 12.461 0.826 0.826
55 1HB PHE 6 HB2 PHE 6 11.316 0.668 0.668
56 2HB PHE 6 HB1 PHE 6 10.473 2.176 2.176
57 HD1 PHE 6 HD1 PHE 6 13.337 0.594 0.594
58 HD2 PHE 6 HD2 PHE 6 11.358 4.303 4.303
59 HE1 PHE 6 HE1 PHE 6 14.694 1.700 1.700
60 HE2 PHE 6 HE2 PHE 6 12.713 5.415 5.415
61 HZ PHE 6 HZ PHE 6 14.395 4.123 4.123
62 H PHE 7 HN PHE 7 11.945 4.326 4.326
63 HA PHE 7 HA PHE 7 14.587 5.039 5.039
64 1HB PHE 7 HB2 PHE 7 12.074 6.214 6.214
65 2HB PHE 7 HB1 PHE 7 13.337 7.099 7.099
66 HD1 PHE 7 HD1 PHE 7 11.549 7.084 7.084
67 HD2 PHE 7 HD2 PHE 7 15.609 7.234 7.234
68 HE1 PHE 7 HE1 PHE 7 12.243 8.144 8.144
69 HE2 PHE 7 HE2 PHE 7 16.303 8.289 8.289
70 HZ PHE 7 HZ PHE 7 14.620 8.750 8.750
71 H LYS 8 HN LYS 8 12.998 4.781 4.781
72 HA LYS 8 HA LYS 8 14.857 5.890 5.890
73 1HB LYS 8 HB2 LYS 8 12.792 3.943 3.943
74 2HB LYS 8 HB1 LYS 8 14.134 3.358 3.358
75 1HG LYS 8 HG2 LYS 8 14.185 5.600 5.600
76 2HG LYS 8 HG1 LYS 8 12.708 6.014 6.014
77 1HD LYS 8 HD2 LYS 8 12.665 3.413 3.413
78 2HD LYS 8 HD1 LYS 8 12.707 4.849 4.849
79 1HE LYS 8 HE2 LYS 8 10.497 5.159 5.159
80 2HE LYS 8 HE1 LYS 8 10.835 5.335 5.335
81 1HZ LYS 8 HZ3 LYS 8 11.130 2.754 2.754
82 2HZ LYS 8 HZ2 LYS 8 10.094 2.934 2.934
83 3HZ LYS 8 HZ1 LYS 8 9.590 3.434 3.434
84 H ALA 9 HN ALA 9 15.201 2.997 2.997
85 HA ALA 9 HA ALA 9 17.647 2.131 2.131
86 1HB ALA 9 HB3 ALA 9 15.921 0.614 0.614
87 2HB ALA 9 HB2 ALA 9 16.367 1.260 1.260
88 3HB ALA 9 HB1 ALA 9 17.544 0.347 0.347
89 H LYS 10 HN LYS 10 16.652 3.808 3.808
90 HA LYS 10 HA LYS 10 19.069 3.940 3.940
91 1HB LYS 10 HB2 LYS 10 16.597 4.718 4.718
92 2HB LYS 10 HB1 LYS 10 17.199 6.230 6.230
93 1HG LYS 10 HG2 LYS 10 17.324 6.052 6.052
94 2HG LYS 10 HG1 LYS 10 18.850 6.438 6.438
95 1HD LYS 10 HD2 LYS 10 19.785 4.421 4.421
96 2HD LYS 10 HD1 LYS 10 18.263 3.554 3.554
97 1HE LYS 10 HE2 LYS 10 17.689 3.811 3.811
98 2HE LYS 10 HE1 LYS 10 18.362 5.452 5.452
99 1HZ LYS 10 HZ1 LYS 10 20.596 4.448 4.448
100 2HZ LYS 10 HZ3 LYS 10 19.896 2.908 2.908
101 3HZ LYS 10 HZ2 LYS 10 19.775 3.986 3.986
102 H LYS 11 HN LYS 11 17.742 6.479 6.479
103 HA LYS 11 HA LYS 11 19.901 8.198 8.198
104 1HB LYS 11 HB2 LYS 11 18.017 7.214 7.214
105 2HB LYS 11 HB1 LYS 11 19.019 8.657 8.657
106 1HG LYS 11 HG2 LYS 11 17.283 8.377 8.377
107 2HG LYS 11 HG1 LYS 11 16.534 8.842 8.842
108 1HD LYS 11 HD2 LYS 11 17.961 10.762 10.762
109 2HD LYS 11 HD1 LYS 11 18.967 10.236 10.236
110 1HE LYS 11 HE2 LYS 11 16.069 10.547 10.547
111 2HE LYS 11 HE1 LYS 11 16.976 12.043 12.043
112 1HZ LYS 11 HZ3 LYS 11 18.731 11.053 11.053
113 2HZ LYS 11 HZ2 LYS 11 17.566 9.909 9.909
114 3HZ LYS 11 HZ1 LYS 11 17.304 11.561 11.561
115 H LEU 12 HN LEU 12 19.502 5.121 5.121
116 HA LEU 12 HA LEU 12 21.753 5.355 5.355
117 1HB LEU 12 HB2 LEU 12 20.181 3.055 3.055
118 2HB LEU 12 HB1 LEU 12 21.457 2.814 2.814
119 HG LEU 12 HG LEU 12 18.976 4.522 4.522
120 1HD1 LEU 12 HD13 LEU 12 18.614 2.072 2.072
121 2HD1 LEU 12 HD12 LEU 12 19.879 1.975 1.975
122 3HD1 LEU 12 HD11 LEU 12 18.392 2.864 2.864
123 1HD2 LEU 12 HD23 LEU 12 21.564 4.567 4.567
124 2HD2 LEU 12 HD22 LEU 12 20.177 5.625 5.625
125 3HD2 LEU 12 HD21 LEU 12 20.309 4.110 4.110
126 H ILE 13 HN ILE 13 21.656 5.030 5.030
127 HA ILE 13 HA ILE 13 24.522 4.277 4.277
128 HB ILE 13 HB ILE 13 23.715 2.874 2.874
129 1HG1 ILE 13 HG12 ILE 13 21.619 1.616 1.616
130 2HG1 ILE 13 HG11 ILE 13 21.277 3.281 3.281
131 1HG2 ILE 13 HG23 ILE 13 24.993 2.143 2.143
132 2HG2 ILE 13 HG22 ILE 13 23.428 1.716 1.716
133 3HG2 ILE 13 HG21 ILE 13 23.997 0.907 0.907
134 1HD1 ILE 13 HD12 ILE 13 22.085 2.726 2.726
135 2HD1 ILE 13 HD11 ILE 13 20.462 2.246 2.246
136 3HD1 ILE 13 HD13 ILE 13 20.961 3.932 3.932
137 H GLU 14 HN GLU 14 23.399 6.762 6.762
138 HA GLU 14 HA GLU 14 23.806 7.262 7.262
139 1HB GLU 14 HB2 GLU 14 22.147 8.563 8.563
140 2HB GLU 14 HB1 GLU 14 22.282 9.201 9.201
141 1HG GLU 14 HG2 GLU 14 21.679 6.326 6.326
142 2HG GLU 14 HG1 GLU 14 20.407 7.368 7.368
143 1H CYS 1 HT2 CYS 1 0.839 5.387 5.387
144 2H CYS 1 HT1 CYS 1 -0.106 5.253 5.253
145 3H CYS 1 HT3 CYS 1 0.017 3.939 3.939
146 HA CYS 1 HA CYS 1 1.591 3.208 3.208
147 1HB CYS 1 HB2 CYS 1 1.726 6.153 6.153
148 2HB CYS 1 HB1 CYS 1 2.726 4.930 4.930
149 H TYR 2 HN TYR 2 2.225 3.271 3.271
150 HA TYR 2 HA TYR 2 5.073 3.644 3.644
151 1HB TYR 2 HB2 TYR 2 5.282 5.710 5.710
152 2HB TYR 2 HB1 TYR 2 3.681 5.976 5.976
153 HD1 TYR 2 HD1 TYR 2 5.349 4.579 4.579
154 HD2 TYR 2 HD2 TYR 2 1.908 6.550 6.550
155 HE1 TYR 2 HE1 TYR 2 4.435 4.807 4.807
156 HE2 TYR 2 HE2 TYR 2 0.978 6.800 6.800
157 HH TYR 2 HH TYR 2 2.860 6.071 6.071
158 H LEU 3 HN LEU 3 2.041 3.235 3.235
159 HA LEU 3 HA LEU 3 2.841 2.254 2.254
160 1HB LEU 3 HB2 LEU 3 0.740 1.620 1.620
161 2HB LEU 3 HB1 LEU 3 0.939 0.462 0.462
162 HG LEU 3 HG LEU 3 0.638 2.228 2.228
163 1HD1 LEU 3 HD12 LEU 3 1.702 3.973 3.973
164 2HD1 LEU 3 HD11 LEU 3 0.113 4.120 4.120
165 3HD1 LEU 3 HD13 LEU 3 0.322 4.511 4.511
166 1HD2 LEU 3 HD22 LEU 3 -1.371 1.115 1.115
167 2HD2 LEU 3 HD21 LEU 3 -1.704 2.763 2.763
168 3HD2 LEU 3 HD23 LEU 3 -1.478 2.421 2.421
169 H ARG 4 HN ARG 4 2.361 0.286 0.286
170 HA ARG 4 HA ARG 4 3.488 -2.143 -2.143
171 1HB ARG 4 HB2 ARG 4 4.400 -0.677 -0.677
172 2HB ARG 4 HB1 ARG 4 3.873 -2.343 -2.343
173 1HG ARG 4 HG2 ARG 4 1.944 -1.562 -1.562
174 2HG ARG 4 HG1 ARG 4 1.593 -1.051 -1.051
175 1HD ARG 4 HD2 ARG 4 1.378 0.701 0.701
176 2HD ARG 4 HD1 ARG 4 2.175 1.223 1.223
177 HE ARG 4 HE ARG 4 4.265 1.164 1.164
178 1HH1 ARG 4 HH21 ARG 4 4.028 -1.434 -1.434
179 2HH1 ARG 4 HH22 ARG 4 3.892 -0.954 -0.954
180 1HH2 ARG 4 HH11 ARG 4 3.075 2.333 2.333
181 2HH2 ARG 4 HH12 ARG 4 3.355 1.177 1.177
182 H ARG 5 HN ARG 5 5.220 0.862 0.862
183 HA ARG 5 HA ARG 5 7.866 -0.295 -0.295
184 1HB ARG 5 HB2 ARG 5 7.963 1.509 1.509
185 2HB ARG 5 HB1 ARG 5 6.602 2.285 2.285
186 1HG ARG 5 HG2 ARG 5 9.066 2.095 2.095
187 2HG ARG 5 HG1 ARG 5 9.155 3.166 3.166
188 1HD ARG 5 HD2 ARG 5 6.653 3.716 3.716
189 2HD ARG 5 HD1 ARG 5 7.779 3.597 3.597
190 HE ARG 5 HE ARG 5 9.082 5.051 5.051
191 1HH1 ARG 5 HH21 ARG 5 7.435 5.427 5.427
192 2HH1 ARG 5 HH22 ARG 5 7.036 7.096 7.096
193 1HH2 ARG 5 HH11 ARG 5 8.120 7.165 7.165
194 2HH2 ARG 5 HH12 ARG 5 7.423 8.079 8.079
195 H PHE 6 HN PHE 6 6.007 2.079 2.079
196 HA PHE 6 HA PHE 6 7.763 2.170 2.170
197 1HB PHE 6 HB2 PHE 6 6.238 3.872 3.872
198 2HB PHE 6 HB1 PHE 6 4.981 2.851 2.851
199 HD1 PHE 6 HD1 PHE 6 6.991 3.252 3.252
200 HD2 PHE 6 HD2 PHE 6 3.230 2.213 2.213
201 HE1 PHE 6 HE1 PHE 6 6.013 3.019 3.019
202 HE2 PHE 6 HE2 PHE 6 2.241 1.972 1.972
203 HZ PHE 6 HZ PHE 6 3.628 2.371 2.371
204 H PHE 7 HN PHE 7 4.914 0.141 0.141
205 HA PHE 7 HA PHE 7 4.842 -1.243 -1.243
206 1HB PHE 7 HB2 PHE 7 3.516 -1.157 -1.157
207 2HB PHE 7 HB1 PHE 7 4.001 -2.832 -2.832
208 HD1 PHE 7 HD1 PHE 7 3.773 -3.579 -3.579
209 HD2 PHE 7 HD2 PHE 7 1.432 -0.583 -0.583
210 HE1 PHE 7 HE1 PHE 7 1.993 -3.859 -3.859
211 HE2 PHE 7 HE2 PHE 7 -0.362 -0.866 -0.866
212 HZ PHE 7 HZ PHE 7 -0.086 -2.505 -2.505
213 H LYS 8 HN LYS 8 6.211 -2.292 -2.292
214 HA LYS 8 HA LYS 8 7.325 -4.713 -4.713
215 1HB LYS 8 HB2 LYS 8 7.792 -2.573 -2.573
216 2HB LYS 8 HB1 LYS 8 9.152 -3.667 -3.667
217 1HG LYS 8 HG2 LYS 8 7.454 -4.319 -4.319
218 2HG LYS 8 HG1 LYS 8 7.842 -5.562 -5.562
219 1HD LYS 8 HD2 LYS 8 5.589 -3.780 -3.780
220 2HD LYS 8 HD1 LYS 8 5.302 -4.845 -4.845
221 1HE LYS 8 HE2 LYS 8 6.634 -6.317 -6.317
222 2HE LYS 8 HE1 LYS 8 5.159 -5.551 -5.551
223 1HZ LYS 8 HZ1 LYS 8 4.093 -6.333 -6.333
224 2HZ LYS 8 HZ3 LYS 8 5.441 -7.345 -7.345
225 3HZ LYS 8 HZ2 LYS 8 4.425 -7.528 -7.528
226 H ALA 9 HN ALA 9 8.279 -1.529 -1.529
227 HA ALA 9 HA ALA 9 10.954 -2.297 -2.297
228 1HB ALA 9 HB1 ALA 9 9.264 0.106 0.106
229 2HB ALA 9 HB3 ALA 9 10.377 0.143 0.143
230 3HB ALA 9 HB2 ALA 9 10.997 -0.072 -0.072
231 H LYS 10 HN LYS 10 7.756 -1.826 -1.826
232 HA LYS 10 HA LYS 10 8.510 -1.911 -1.911
233 1HB LYS 10 HB2 LYS 10 6.340 -1.365 -1.365
234 2HB LYS 10 HB1 LYS 10 5.879 -2.835 -2.835
235 1HG LYS 10 HG2 LYS 10 7.175 -0.972 -0.972
236 2HG LYS 10 HG1 LYS 10 5.773 -0.234 -0.234
237 1HD LYS 10 HD2 LYS 10 5.434 -3.013 -3.013
238 2HD LYS 10 HD1 LYS 10 5.565 -1.760 -1.760
239 1HE LYS 10 HE2 LYS 10 3.747 -0.482 -0.482
240 2HE LYS 10 HE1 LYS 10 3.573 -1.816 -1.816
241 1HZ LYS 10 HZ1 LYS 10 3.336 -3.314 -3.314
242 2HZ LYS 10 HZ3 LYS 10 3.230 -1.935 -1.935
243 3HZ LYS 10 HZ2 LYS 10 2.049 -2.224 -2.224
244 H LYS 11 HN LYS 11 6.759 -4.345 -4.345
245 HA LYS 11 HA LYS 11 6.850 -6.500 -6.500
246 1HB LYS 11 HB2 LYS 11 6.894 -6.120 -6.120
247 2HB LYS 11 HB1 LYS 11 7.145 -7.753 -7.753
248 1HG LYS 11 HG2 LYS 11 4.878 -6.103 -6.103
249 2HG LYS 11 HG1 LYS 11 4.700 -6.911 -6.911
250 1HD LYS 11 HD2 LYS 11 5.867 -8.636 -8.636
251 2HD LYS 11 HD1 LYS 11 4.239 -8.084 -8.084
252 1HE LYS 11 HE2 LYS 11 3.670 -9.919 -9.919
253 2HE LYS 11 HE1 LYS 11 3.869 -8.740 -8.740
254 1HZ LYS 11 HZ3 LYS 11 6.225 -9.350 -9.350
255 2HZ LYS 11 HZ2 LYS 11 5.979 -10.536 -10.536
256 3HZ LYS 11 HZ1 LYS 11 5.224 -10.680 -10.680
257 H LEU 12 HN LEU 12 9.483 -5.163 -5.163
258 HA LEU 12 HA LEU 12 11.295 -7.350 -7.350
259 1HB LEU 12 HB2 LEU 12 11.458 -4.405 -4.405
260 2HB LEU 12 HB1 LEU 12 12.936 -5.361 -5.361
261 HG LEU 12 HG LEU 12 10.621 -6.086 -6.086
262 1HD1 LEU 12 HD13 LEU 12 12.192 -3.883 -3.883
263 2HD1 LEU 12 HD12 LEU 12 13.161 -5.105 -5.105
264 3HD1 LEU 12 HD11 LEU 12 11.500 -4.805 -4.805
265 1HD2 LEU 12 HD22 LEU 12 12.288 -7.866 -7.866
266 2HD2 LEU 12 HD21 LEU 12 12.141 -7.673 -7.673
267 3HD2 LEU 12 HD23 LEU 12 13.516 -6.973 -6.973
268 H ILE 13 HN ILE 13 10.226 -5.069 -5.069
269 HA ILE 13 HA ILE 13 12.255 -6.102 -6.102
270 HB ILE 13 HB ILE 13 12.445 -3.592 -3.592
271 1HG1 ILE 13 HG12 ILE 13 12.473 -2.503 -2.503
272 2HG1 ILE 13 HG11 ILE 13 10.954 -3.384 -3.384
273 1HG2 ILE 13 HG21 ILE 13 13.902 -5.243 -5.243
274 2HG2 ILE 13 HG23 ILE 13 14.055 -3.540 -3.540
275 3HG2 ILE 13 HG22 ILE 13 14.523 -4.086 -4.086
276 1HD1 ILE 13 HD11 ILE 13 11.589 -1.843 -1.843
277 2HD1 ILE 13 HD13 ILE 13 11.307 -0.864 -0.864
278 3HD1 ILE 13 HD12 ILE 13 10.066 -1.985 -1.985
279 H GLU 14 HN GLU 14 9.630 -6.793 -6.793
280 HA GLU 14 HA GLU 14 8.579 -5.460 -5.460
281 1HB GLU 14 HB2 GLU 14 7.242 -6.367 -6.367
282 2HB GLU 14 HB1 GLU 14 6.354 -5.777 -5.777
283 1HG GLU 14 HG2 GLU 14 8.596 -4.121 -4.121
284 2HG GLU 14 HG1 GLU 14 7.097 -4.132 -4.132
285 1H CYS 1 HT1 CYS 1 22.594 -4.780 -4.780
286 2H CYS 1 HT3 CYS 1 24.262 -4.491 -4.491
287 3H CYS 1 HT2 CYS 1 23.218 -3.248 -3.248
288 HA CYS 1 HA CYS 1 23.737 -2.763 -2.763
289 1HB CYS 1 HB2 CYS 1 23.497 -5.739 -5.739
290 2HB CYS 1 HB1 CYS 1 23.128 -4.857 -4.857
291 H TYR 2 HN TYR 2 21.219 -3.339 -3.339
292 HA TYR 2 HA TYR 2 19.228 -2.908 -2.908
293 1HB TYR 2 HB2 TYR 2 17.744 -4.265 -4.265
294 2HB TYR 2 HB1 TYR 2 19.272 -5.005 -5.005
295 HD1 TYR 2 HD1 TYR 2 20.001 -4.948 -4.948
296 HD2 TYR 2 HD2 TYR 2 16.730 -2.486 -2.486
297 HE1 TYR 2 HE1 TYR 2 19.568 -4.300 -4.300
298 HE2 TYR 2 HE2 TYR 2 16.289 -1.835 -1.835
299 HH TYR 2 HH TYR 2 17.293 -1.778 -1.778
300 H LEU 3 HN LEU 3 20.816 -1.628 -1.628
301 HA LEU 3 HA LEU 3 18.922 0.070 0.070
302 1HB LEU 3 HB2 LEU 3 21.824 -0.044 -0.044
303 2HB LEU 3 HB1 LEU 3 21.204 1.542 1.542
304 HG LEU 3 HG LEU 3 20.232 0.681 0.681
305 1HD1 LEU 3 HD13 LEU 3 19.410 -1.440 -1.440
306 2HD1 LEU 3 HD12 LEU 3 21.056 -2.072 -2.072
307 3HD1 LEU 3 HD11 LEU 3 20.203 -1.697 -1.697
308 1HD2 LEU 3 HD23 LEU 3 22.799 0.963 0.963
309 2HD2 LEU 3 HD22 LEU 3 22.157 0.089 0.089
310 3HD2 LEU 3 HD21 LEU 3 22.845 -0.799 -0.799
311 H ARG 4 HN ARG 4 21.276 0.992 0.992
312 HA ARG 4 HA ARG 4 20.236 3.415 3.415
313 1HB ARG 4 HB2 ARG 4 21.308 2.853 2.853
314 2HB ARG 4 HB1 ARG 4 22.271 2.189 2.189
315 1HG ARG 4 HG2 ARG 4 20.141 0.518 0.518
316 2HG ARG 4 HG1 ARG 4 21.730 0.670 0.670
317 1HD ARG 4 HD2 ARG 4 21.005 -0.562 -0.562
318 2HD ARG 4 HD1 ARG 4 21.984 -1.235 -1.235
319 HE ARG 4 HE ARG 4 23.026 0.353 0.353
320 1HH1 ARG 4 HH21 ARG 4 23.434 -0.589 -0.589
321 2HH1 ARG 4 HH22 ARG 4 24.854 0.371 0.371
322 1HH2 ARG 4 HH11 ARG 4 24.718 1.876 1.876
323 2HH2 ARG 4 HH12 ARG 4 25.583 1.763 1.763
324 H ARG 5 HN ARG 5 18.929 0.183 0.183
325 HA ARG 5 HA ARG 5 16.882 1.046 1.046
326 1HB ARG 5 HB2 ARG 5 17.797 -1.435 -1.435
327 2HB ARG 5 HB1 ARG 5 16.129 -1.414 -1.414
328 1HG ARG 5 HG2 ARG 5 16.809 -1.705 -1.705
329 2HG ARG 5 HG1 ARG 5 17.845 -0.280 -0.280
330 1HD ARG 5 HD2 ARG 5 19.417 -1.984 -1.984
331 2HD ARG 5 HD1 ARG 5 19.421 -1.904 -1.904
332 HE ARG 5 HE ARG 5 17.617 -3.738 -3.738
333 1HH1 ARG 5 HH21 ARG 5 18.794 -3.181 -3.181
334 2HH1 ARG 5 HH22 ARG 5 19.298 -4.809 -4.809
335 1HH2 ARG 5 HH11 ARG 5 18.792 -5.867 -5.867
336 2HH2 ARG 5 HH12 ARG 5 19.294 -6.330 -6.330
337 H PHE 6 HN PHE 6 16.904 -0.137 -0.137
338 HA PHE 6 HA PHE 6 14.116 0.402 0.402
339 1HB PHE 6 HB2 PHE 6 15.105 -1.129 -1.129
340 2HB PHE 6 HB1 PHE 6 16.558 -0.156 -0.156
341 HD1 PHE 6 HD1 PHE 6 16.764 1.528 1.528
342 HD2 PHE 6 HD2 PHE 6 13.017 -0.443 -0.443
343 HE1 PHE 6 HE1 PHE 6 15.872 2.531 2.531
344 HE2 PHE 6 HE2 PHE 6 12.123 0.560 0.560
345 HZ PHE 6 HZ PHE 6 13.542 2.058 2.058
346 H PHE 7 HN PHE 7 17.110 2.194 2.194
347 HA PHE 7 HA PHE 7 16.051 4.395 4.395
348 1HB PHE 7 HB2 PHE 7 18.444 3.584 3.584
349 2HB PHE 7 HB1 PHE 7 18.103 5.248 5.248
350 HD1 PHE 7 HD1 PHE 7 19.988 3.570 3.570
351 HD2 PHE 7 HD2 PHE 7 16.796 6.443 6.443
352 HE1 PHE 7 HE1 PHE 7 20.683 4.359 4.359
353 HE2 PHE 7 HE2 PHE 7 17.484 7.230 7.230
354 HZ PHE 7 HZ PHE 7 19.434 6.194 6.194
355 H LYS 8 HN LYS 8 16.763 4.267 4.267
356 HA LYS 8 HA LYS 8 15.470 6.675 6.675
357 1HB LYS 8 HB2 LYS 8 16.745 4.458 4.458
358 2HB LYS 8 HB1 LYS 8 15.236 4.746 4.746
359 1HG LYS 8 HG2 LYS 8 15.880 7.183 7.183
360 2HG LYS 8 HG1 LYS 8 17.453 6.736 6.736
361 1HD LYS 8 HD2 LYS 8 16.693 5.019 5.019
362 2HD LYS 8 HD1 LYS 8 16.742 6.719 6.719
363 1HE LYS 8 HE2 LYS 8 18.995 5.524 5.524
364 2HE LYS 8 HE1 LYS 8 18.963 5.372 5.372
365 1HZ LYS 8 HZ1 LYS 8 18.287 7.913 7.913
366 2HZ LYS 8 HZ3 LYS 8 19.241 7.761 7.761
367 3HZ LYS 8 HZ2 LYS 8 19.905 7.412 7.412
368 H ALA 9 HN ALA 9 14.165 3.705 3.705
369 HA ALA 9 HA ALA 9 11.560 4.095 4.095
370 1HB ALA 9 HB3 ALA 9 12.977 1.903 1.903
371 2HB ALA 9 HB2 ALA 9 12.120 2.044 2.044
372 3HB ALA 9 HB1 ALA 9 11.214 1.876 1.876
373 H LYS 10 HN LYS 10 13.130 4.381 4.381
374 HA LYS 10 HA LYS 10 10.807 4.768 4.768
375 1HB LYS 10 HB2 LYS 10 13.431 4.302 4.302
376 2HB LYS 10 HB1 LYS 10 13.357 6.024 6.024
377 1HG LYS 10 HG2 LYS 10 11.153 4.611 4.611
378 2HG LYS 10 HG1 LYS 10 12.719 3.985 3.985
379 1HD LYS 10 HD2 LYS 10 12.343 6.938 6.938
380 2HD LYS 10 HD1 LYS 10 11.641 6.083 6.083
381 1HE LYS 10 HE2 LYS 10 14.452 5.373 5.373
382 2HE LYS 10 HE1 LYS 10 14.192 6.982 6.982
383 1HZ LYS 10 HZ3 LYS 10 12.863 4.592 4.592
384 2HZ LYS 10 HZ2 LYS 10 14.440 5.009 5.009
385 3HZ LYS 10 HZ1 LYS 10 13.154 6.088 6.088
386 H LYS 11 HN LYS 11 13.249 7.163 7.163
387 HA LYS 11 HA LYS 11 11.952 9.494 9.494
388 1HB LYS 11 HB2 LYS 11 13.899 8.651 8.651
389 2HB LYS 11 HB1 LYS 11 13.087 10.175 10.175
390 1HG LYS 11 HG2 LYS 11 14.502 9.521 9.521
391 2HG LYS 11 HG1 LYS 11 15.150 10.543 10.543
392 1HD LYS 11 HD2 LYS 11 13.860 12.312 12.312
393 2HD LYS 11 HD1 LYS 11 12.440 11.300 11.300
394 1HE LYS 11 HE2 LYS 11 12.779 11.566 11.566
395 2HE LYS 11 HE1 LYS 11 14.266 10.611 10.611
396 1HZ LYS 11 HZ2 LYS 11 15.264 12.771 12.771
397 2HZ LYS 11 HZ1 LYS 11 13.931 13.544 13.544
398 3HZ LYS 11 HZ3 LYS 11 15.013 12.660 12.660
399 H LEU 12 HN LEU 12 11.202 7.402 7.402
400 HA LEU 12 HA LEU 12 9.519 9.205 9.205
401 1HB LEU 12 HB2 LEU 12 10.086 6.278 6.278
402 2HB LEU 12 HB1 LEU 12 8.655 6.808 6.808
403 HG LEU 12 HG LEU 12 11.485 7.804 7.804
404 1HD1 LEU 12 HD11 LEU 12 9.713 5.814 5.814
405 2HD1 LEU 12 HD13 LEU 12 10.833 6.772 6.772
406 3HD1 LEU 12 HD12 LEU 12 11.446 5.734 5.734
407 1HD2 LEU 12 HD22 LEU 12 8.793 8.657 8.657
408 2HD2 LEU 12 HD21 LEU 12 10.187 9.646 9.646
409 3HD2 LEU 12 HD23 LEU 12 10.177 8.758 8.758
410 H ILE 13 HN ILE 13 9.000 7.473 7.473
411 HA ILE 13 HA ILE 13 6.179 8.343 8.343
412 HB ILE 13 HB ILE 13 5.628 5.969 5.969
413 1HG1 ILE 13 HG12 ILE 13 7.303 4.422 4.422
414 2HG1 ILE 13 HG11 ILE 13 8.428 5.692 5.692
415 1HG2 ILE 13 HG23 ILE 13 4.948 6.947 6.947
416 2HG2 ILE 13 HG22 ILE 13 6.421 6.265 6.265
417 3HG2 ILE 13 HG21 ILE 13 5.181 5.199 5.199
418 1HD1 ILE 13 HD11 ILE 13 6.640 4.229 4.229
419 2HD1 ILE 13 HD13 ILE 13 8.330 3.820 3.820
420 3HD1 ILE 13 HD12 ILE 13 7.910 5.388 5.388
421 H GLU 14 HN GLU 14 8.190 9.426 9.426
422 HA GLU 14 HA GLU 14 7.436 8.591 8.591
423 1HB GLU 14 HB2 GLU 14 10.108 9.267 9.267
424 2HB GLU 14 HB1 GLU 14 9.857 9.008 9.008
425 1HG GLU 14 HG2 GLU 14 8.870 6.954 6.954
426 2HG GLU 14 HG1 GLU 14 10.592 7.009 7.009
427 1H CYS 1 HT3 CYS 1 28.126 -3.518 -3.518
428 2H CYS 1 HT2 CYS 1 28.345 -4.919 -4.919
429 3H CYS 1 HT1 CYS 1 28.213 -5.036 -5.036
430 HA CYS 1 HA CYS 1 26.116 -5.704 -5.704
431 1HB CYS 1 HB2 CYS 1 26.888 -3.540 -3.540
432 2HB CYS 1 HB1 CYS 1 25.179 -3.495 -3.495
433 H TYR 2 HN TYR 2 26.183 -5.255 -5.255
434 HA TYR 2 HA TYR 2 24.217 -3.153 -3.153
435 1HB TYR 2 HB2 TYR 2 26.905 -2.698 -2.698
436 2HB TYR 2 HB1 TYR 2 26.427 -3.353 -3.353
437 HD1 TYR 2 HD1 TYR 2 24.673 -1.338 -1.338
438 HD2 TYR 2 HD2 TYR 2 25.991 -1.606 -1.606
439 HE1 TYR 2 HE1 TYR 2 23.479 0.741 0.741
440 HE2 TYR 2 HE2 TYR 2 24.802 0.493 0.493
441 HH TYR 2 HH TYR 2 23.360 2.041 2.041
442 H LEU 3 HN LEU 3 24.293 -3.570 -3.570
443 HA LEU 3 HA LEU 3 23.495 -5.075 -5.075
444 1HB LEU 3 HB2 LEU 3 24.997 -6.885 -6.885
445 2HB LEU 3 HB1 LEU 3 24.328 -7.433 -7.433
446 HG LEU 3 HG LEU 3 25.618 -5.408 -5.408
447 1HD1 LEU 3 HD13 LEU 3 26.508 -5.429 -5.429
448 2HD1 LEU 3 HD12 LEU 3 27.850 -5.563 -5.563
449 3HD1 LEU 3 HD11 LEU 3 26.740 -4.200 -4.200
450 1HD2 LEU 3 HD22 LEU 3 26.086 -7.892 -7.892
451 2HD2 LEU 3 HD21 LEU 3 27.473 -6.821 -6.821
452 3HD2 LEU 3 HD23 LEU 3 27.258 -7.704 -7.704
453 H ARG 4 HN ARG 4 23.251 -6.816 -6.816
454 HA ARG 4 HA ARG 4 20.718 -7.958 -7.958
455 1HB ARG 4 HB2 ARG 4 20.633 -7.697 -7.697
456 2HB ARG 4 HB1 ARG 4 21.982 -8.602 -8.602
457 1HG ARG 4 HG2 ARG 4 23.397 -7.181 -7.181
458 2HG ARG 4 HG1 ARG 4 22.764 -5.877 -5.877
459 1HD ARG 4 HD2 ARG 4 21.656 -4.966 -4.966
460 2HD ARG 4 HD1 ARG 4 20.956 -6.539 -6.539
461 HE ARG 4 HE ARG 4 23.272 -5.371 -5.371
462 1HH1 ARG 4 HH21 ARG 4 21.739 -7.545 -7.545
463 2HH1 ARG 4 HH22 ARG 4 22.823 -8.892 -8.892
464 1HH2 ARG 4 HH11 ARG 4 24.816 -7.450 -7.450
465 2HH2 ARG 4 HH12 ARG 4 24.568 -8.837 -8.837
466 H ARG 5 HN ARG 5 21.517 -4.748 -4.748
467 HA ARG 5 HA ARG 5 18.667 -4.028 -4.028
468 1HB ARG 5 HB2 ARG 5 19.460 -2.122 -2.122
469 2HB ARG 5 HB1 ARG 5 20.518 -3.449 -3.449
470 1HG ARG 5 HG2 ARG 5 21.991 -2.655 -2.655
471 2HG ARG 5 HG1 ARG 5 21.099 -1.143 -1.143
472 1HD ARG 5 HD2 ARG 5 22.898 -2.511 -2.511
473 2HD ARG 5 HD1 ARG 5 22.956 -0.836 -0.836
474 HE ARG 5 HE ARG 5 21.198 -1.843 -1.843
475 1HH1 ARG 5 HH11 ARG 5 22.490 0.956 0.956
476 2HH1 ARG 5 HH12 ARG 5 21.038 1.899 1.899
477 1HH2 ARG 5 HH21 ARG 5 18.930 -0.850 -0.850
478 2HH2 ARG 5 HH22 ARG 5 19.024 0.877 0.877
479 H PHE 6 HN PHE 6 21.278 -3.711 -3.711
480 HA PHE 6 HA PHE 6 20.017 -1.443 -1.443
481 1HB PHE 6 HB2 PHE 6 22.344 -1.258 -1.258
482 2HB PHE 6 HB1 PHE 6 22.570 -2.978 -2.978
483 HD1 PHE 6 HD1 PHE 6 20.915 -0.163 -0.163
484 HD2 PHE 6 HD2 PHE 6 23.519 -3.554 -3.554
485 HE1 PHE 6 HE1 PHE 6 21.263 0.250 0.250
486 HE2 PHE 6 HE2 PHE 6 23.867 -3.151 -3.151
487 HZ PHE 6 HZ PHE 6 22.740 -1.244 -1.244
488 H PHE 7 HN PHE 7 20.834 -4.849 -4.849
489 HA PHE 7 HA PHE 7 19.787 -5.123 -5.123
490 1HB PHE 7 HB2 PHE 7 21.359 -6.521 -6.521
491 2HB PHE 7 HB1 PHE 7 19.846 -7.412 -7.412
492 HD1 PHE 7 HD1 PHE 7 18.622 -7.641 -7.641
493 HD2 PHE 7 HD2 PHE 7 22.836 -7.310 -7.310
494 HE1 PHE 7 HE1 PHE 7 19.087 -8.729 -8.729
495 HE2 PHE 7 HE2 PHE 7 23.308 -8.405 -8.405
496 HZ PHE 7 HZ PHE 7 21.434 -9.115 -9.115
497 H LYS 8 HN LYS 8 18.462 -5.877 -5.877
498 HA LYS 8 HA LYS 8 16.099 -7.145 -7.145
499 1HB LYS 8 HB2 LYS 8 17.199 -5.498 -5.498
500 2HB LYS 8 HB1 LYS 8 15.498 -5.088 -5.088
501 1HG LYS 8 HG2 LYS 8 14.998 -7.573 -7.573
502 2HG LYS 8 HG1 LYS 8 16.676 -7.816 -7.816
503 1HD LYS 8 HD2 LYS 8 15.275 -5.733 -5.733
504 2HD LYS 8 HD1 LYS 8 14.600 -7.350 -7.350
505 1HE LYS 8 HE2 LYS 8 17.573 -7.151 -7.151
506 2HE LYS 8 HE1 LYS 8 16.682 -6.489 -6.489
507 1HZ LYS 8 HZ3 LYS 8 15.754 -9.031 -9.031
508 2HZ LYS 8 HZ2 LYS 8 17.213 -9.066 -9.066
509 3HZ LYS 8 HZ1 LYS 8 15.794 -8.493 -8.493
510 H ALA 9 HN ALA 9 16.800 -3.718 -3.718
511 HA ALA 9 HA ALA 9 14.078 -3.122 -3.122
512 1HB ALA 9 HB2 ALA 9 16.571 -1.747 -1.747
513 2HB ALA 9 HB1 ALA 9 15.794 -1.063 -1.063
514 3HB ALA 9 HB3 ALA 9 14.915 -1.148 -1.148
515 H LYS 10 HN LYS 10 17.152 -3.984 -3.984
516 HA LYS 10 HA LYS 10 16.682 -3.241 -3.241
517 1HB LYS 10 HB2 LYS 10 18.727 -4.133 -4.133
518 2HB LYS 10 HB1 LYS 10 18.238 -5.637 -5.637
519 1HG LYS 10 HG2 LYS 10 19.826 -4.717 -4.717
520 2HG LYS 10 HG1 LYS 10 18.260 -4.323 -4.323
521 1HD LYS 10 HD2 LYS 10 18.380 -2.117 -2.117
522 2HD LYS 10 HD1 LYS 10 20.062 -2.510 -2.510
523 1HE LYS 10 HE2 LYS 10 20.183 -2.930 -2.930
524 2HE LYS 10 HE1 LYS 10 18.794 -1.828 -1.828
525 1HZ LYS 10 HZ3 LYS 10 20.729 -0.893 -0.893
526 2HZ LYS 10 HZ2 LYS 10 21.476 -1.158 -1.158
527 3HZ LYS 10 HZ1 LYS 10 20.130 -0.128 -0.128
528 H LYS 11 HN LYS 11 16.455 -6.479 -6.479
529 HA LYS 11 HA LYS 11 15.392 -7.939 -7.939
530 1HB LYS 11 HB2 LYS 11 15.177 -7.930 -7.930
531 2HB LYS 11 HB1 LYS 11 14.007 -8.933 -8.933
532 1HG LYS 11 HG2 LYS 11 16.791 -9.141 -9.141
533 2HG LYS 11 HG1 LYS 11 16.520 -9.766 -9.766
534 1HD LYS 11 HD2 LYS 11 14.374 -10.837 -10.837
535 2HD LYS 11 HD1 LYS 11 15.445 -10.734 -10.734
536 1HE LYS 11 HE2 LYS 11 16.351 -12.688 -12.688
537 2HE LYS 11 HE1 LYS 11 17.089 -11.726 -11.726
538 1HZ LYS 11 HZ3 LYS 11 15.069 -11.981 -11.981
539 2HZ LYS 11 HZ2 LYS 11 14.364 -12.914 -12.914
540 3HZ LYS 11 HZ1 LYS 11 15.713 -13.502 -13.502
541 H LEU 12 HN LEU 12 13.694 -5.630 -5.630
542 HA LEU 12 HA LEU 12 11.044 -6.204 -6.204
543 1HB LEU 12 HB2 LEU 12 12.527 -3.959 -3.959
544 2HB LEU 12 HB1 LEU 12 10.888 -3.643 -3.643
545 HG LEU 12 HG LEU 12 11.721 -5.849 -5.849
546 1HD1 LEU 12 HD12 LEU 12 11.484 -3.320 -3.320
547 2HD1 LEU 12 HD11 LEU 12 9.757 -3.659 -3.659
548 3HD1 LEU 12 HD13 LEU 12 10.766 -4.586 -4.586
549 1HD2 LEU 12 HD22 LEU 12 9.322 -5.404 -5.404
550 2HD2 LEU 12 HD21 LEU 12 9.882 -6.877 -6.877
551 3HD2 LEU 12 HD23 LEU 12 8.973 -5.676 -5.676
552 H ILE 13 HN ILE 13 13.643 -4.899 -4.899
553 HA ILE 13 HA ILE 13 11.797 -4.080 -4.080
554 HB ILE 13 HB ILE 13 13.371 -1.969 -1.969
555 1HG1 ILE 13 HG12 ILE 13 13.512 -1.466 -1.466
556 2HG1 ILE 13 HG11 ILE 13 14.114 -3.110 -3.110
557 1HG2 ILE 13 HG21 ILE 13 10.821 -2.342 -2.342
558 2HG2 ILE 13 HG23 ILE 13 11.498 -1.711 -1.711
559 3HG2 ILE 13 HG22 ILE 13 11.603 -0.761 -0.761
560 1HD1 ILE 13 HD12 ILE 13 15.282 -1.764 -1.764
561 2HD1 ILE 13 HD11 ILE 13 15.365 -0.612 -0.612
562 3HD1 ILE 13 HD13 ILE 13 16.081 -2.214 -2.214
563 H GLU 14 HN GLU 14 13.370 -6.298 -6.298
564 HA GLU 14 HA GLU 14 15.438 -5.652 -5.652
565 1HB GLU 14 HB2 GLU 14 15.410 -7.555 -7.555
566 2HB GLU 14 HB1 GLU 14 16.713 -7.498 -7.498
567 1HG GLU 14 HG2 GLU 14 15.869 -4.942 -4.942
568 2HG GLU 14 HG1 GLU 14 16.806 -6.061 -6.061
Start of MODEL 4
1 1H CYS 1 HT2 CYS 1 3.403 4.929 4.929
2 2H CYS 1 HT1 CYS 1 2.460 6.328 6.328
3 3H CYS 1 HT3 CYS 1 4.055 6.455 6.455
4 HA CYS 1 HA CYS 1 4.433 6.988 6.988
5 1HB CYS 1 HB2 CYS 1 1.965 5.284 5.284
6 2HB CYS 1 HB1 CYS 1 2.924 5.733 5.733
7 H TYR 2 HN TYR 2 6.115 5.511 5.511
8 HA TYR 2 HA TYR 2 7.217 3.786 3.786
9 1HB TYR 2 HB2 TYR 2 6.352 1.735 1.735
10 2HB TYR 2 HB1 TYR 2 5.069 2.664 2.664
11 HD1 TYR 2 HD1 TYR 2 8.507 1.381 1.381
12 HD2 TYR 2 HD2 TYR 2 4.606 2.305 2.305
13 HE1 TYR 2 HE1 TYR 2 9.167 0.498 0.498
14 HE2 TYR 2 HE2 TYR 2 5.250 1.419 1.419
15 HH TYR 2 HH TYR 2 7.010 -0.319 -0.319
16 H LEU 3 HN LEU 3 6.969 4.742 4.742
17 HA LEU 3 HA LEU 3 9.379 3.854 3.854
18 1HB LEU 3 HB2 LEU 3 7.650 6.232 6.232
19 2HB LEU 3 HB1 LEU 3 9.234 6.362 6.362
20 HG LEU 3 HG LEU 3 8.781 4.334 4.334
21 1HD1 LEU 3 HD11 LEU 3 7.258 3.375 3.375
22 2HD1 LEU 3 HD13 LEU 3 5.993 4.420 4.420
23 3HD1 LEU 3 HD12 LEU 3 6.700 3.161 3.161
24 1HD2 LEU 3 HD22 LEU 3 6.785 6.573 6.573
25 2HD2 LEU 3 HD21 LEU 3 8.141 6.248 6.248
26 3HD2 LEU 3 HD23 LEU 3 6.699 5.234 5.234
27 H ARG 4 HN ARG 4 8.692 6.429 6.429
28 HA ARG 4 HA ARG 4 11.244 7.668 7.668
29 1HB ARG 4 HB2 ARG 4 9.415 7.218 7.218
30 2HB ARG 4 HB1 ARG 4 10.317 8.669 8.669
31 1HG ARG 4 HG2 ARG 4 8.374 9.448 9.448
32 2HG ARG 4 HG1 ARG 4 8.631 8.306 8.306
33 1HD ARG 4 HD2 ARG 4 7.334 6.581 6.581
34 2HD ARG 4 HD1 ARG 4 7.120 7.686 7.686
35 HE ARG 4 HE ARG 4 5.742 7.879 7.879
36 1HH1 ARG 4 HH21 ARG 4 6.903 9.519 9.519
37 2HH1 ARG 4 HH22 ARG 4 5.759 10.812 10.812
38 1HH2 ARG 4 HH11 ARG 4 4.242 9.559 9.559
39 2HH2 ARG 4 HH12 ARG 4 4.255 10.834 10.834
40 H ARG 5 HN ARG 5 9.768 4.891 4.891
41 HA ARG 5 HA ARG 5 12.154 4.327 4.327
42 1HB ARG 5 HB2 ARG 5 10.756 2.825 2.825
43 2HB ARG 5 HB1 ARG 5 9.514 3.761 3.761
44 1HG ARG 5 HG2 ARG 5 10.087 2.032 2.032
45 2HG ARG 5 HG1 ARG 5 10.556 1.026 1.026
46 1HD ARG 5 HD2 ARG 5 7.956 2.452 2.452
47 2HD ARG 5 HD1 ARG 5 8.018 1.122 1.122
48 HE ARG 5 HE ARG 5 9.215 0.569 0.569
49 1HH1 ARG 5 HH11 ARG 5 6.254 0.955 0.955
50 2HH1 ARG 5 HH12 ARG 5 5.651 -0.648 -0.648
51 1HH2 ARG 5 HH21 ARG 5 8.572 -1.788 -1.788
52 2HH2 ARG 5 HH22 ARG 5 6.962 -2.200 -2.200
53 H PHE 6 HN PHE 6 11.394 3.819 3.819
54 HA PHE 6 HA PHE 6 13.051 1.358 1.358
55 1HB PHE 6 HB2 PHE 6 11.462 0.844 0.844
56 2HB PHE 6 HB1 PHE 6 10.754 2.441 2.441
57 HD1 PHE 6 HD1 PHE 6 13.205 0.442 0.442
58 HD2 PHE 6 HD2 PHE 6 11.078 4.151 4.151
59 HE1 PHE 6 HE1 PHE 6 13.915 1.010 1.010
60 HE2 PHE 6 HE2 PHE 6 11.788 4.726 4.726
61 HZ PHE 6 HZ PHE 6 13.216 3.160 3.160
62 H PHE 7 HN PHE 7 12.813 4.503 4.503
63 HA PHE 7 HA PHE 7 15.371 4.211 4.211
64 1HB PHE 7 HB2 PHE 7 14.810 6.215 6.215
65 2HB PHE 7 HB1 PHE 7 13.220 5.702 5.702
66 HD1 PHE 7 HD1 PHE 7 16.203 7.674 7.674
67 HD2 PHE 7 HD2 PHE 7 11.945 7.128 7.128
68 HE1 PHE 7 HE1 PHE 7 16.007 9.754 9.754
69 HE2 PHE 7 HE2 PHE 7 11.753 9.208 9.208
70 HZ PHE 7 HZ PHE 7 13.782 10.521 10.521
71 H LYS 8 HN LYS 8 14.411 5.213 5.213
72 HA LYS 8 HA LYS 8 16.551 6.929 6.929
73 1HB LYS 8 HB2 LYS 8 14.489 5.337 5.337
74 2HB LYS 8 HB1 LYS 8 15.921 5.549 5.549
75 1HG LYS 8 HG2 LYS 8 15.725 8.058 8.058
76 2HG LYS 8 HG1 LYS 8 14.050 7.627 7.627
77 1HD LYS 8 HD2 LYS 8 15.259 6.859 6.859
78 2HD LYS 8 HD1 LYS 8 14.678 8.506 8.506
79 1HE LYS 8 HE2 LYS 8 12.944 6.121 6.121
80 2HE LYS 8 HE1 LYS 8 12.972 6.818 6.818
81 1HZ LYS 8 HZ2 LYS 8 12.542 8.386 8.386
82 2HZ LYS 8 HZ1 LYS 8 11.291 7.860 7.860
83 3HZ LYS 8 HZ3 LYS 8 12.445 8.963 8.963
84 H ALA 9 HN ALA 9 16.199 3.431 3.431
85 HA ALA 9 HA ALA 9 18.906 3.082 3.082
86 1HB ALA 9 HB2 ALA 9 16.470 1.547 1.547
87 2HB ALA 9 HB1 ALA 9 17.913 0.631 0.631
88 3HB ALA 9 HB3 ALA 9 17.739 1.281 1.281
89 H LYS 10 HN LYS 10 17.424 3.347 3.347
90 HA LYS 10 HA LYS 10 19.211 1.776 1.776
91 1HB LYS 10 HB2 LYS 10 16.863 3.008 3.008
92 2HB LYS 10 HB1 LYS 10 17.937 4.202 4.202
93 1HG LYS 10 HG2 LYS 10 17.826 2.945 2.945
94 2HG LYS 10 HG1 LYS 10 18.906 1.837 1.837
95 1HD LYS 10 HD2 LYS 10 16.681 0.905 0.905
96 2HD LYS 10 HD1 LYS 10 15.930 1.665 1.665
97 1HE LYS 10 HE2 LYS 10 18.356 0.015 0.015
98 2HE LYS 10 HE1 LYS 10 16.874 -0.857 -0.857
99 1HZ LYS 10 HZ2 LYS 10 16.727 1.374 1.374
100 2HZ LYS 10 HZ1 LYS 10 17.255 -0.146 -0.146
101 3HZ LYS 10 HZ3 LYS 10 15.716 0.016 0.016
102 H LYS 11 HN LYS 11 19.055 5.345 5.345
103 HA LYS 11 HA LYS 11 21.356 6.033 6.033
104 1HB LYS 11 HB2 LYS 11 20.761 8.046 8.046
105 2HB LYS 11 HB1 LYS 11 19.513 7.201 7.201
106 1HG LYS 11 HG2 LYS 11 20.665 8.351 8.351
107 2HG LYS 11 HG1 LYS 11 21.422 6.761 6.761
108 1HD LYS 11 HD2 LYS 11 23.020 7.872 7.872
109 2HD LYS 11 HD1 LYS 11 22.518 9.353 9.353
110 1HE LYS 11 HE2 LYS 11 23.223 8.369 8.369
111 2HE LYS 11 HE1 LYS 11 23.804 6.932 6.932
112 1HZ LYS 11 HZ2 LYS 11 24.637 9.699 9.699
113 2HZ LYS 11 HZ1 LYS 11 25.528 8.690 8.690
114 3HZ LYS 11 HZ3 LYS 11 25.299 8.249 8.249
115 H LEU 12 HN LEU 12 21.109 4.592 4.592
116 HA LEU 12 HA LEU 12 23.787 4.957 4.957
117 1HB LEU 12 HB2 LEU 12 21.563 3.008 3.008
118 2HB LEU 12 HB1 LEU 12 23.121 2.858 2.858
119 HG LEU 12 HG LEU 12 21.435 5.377 5.377
120 1HD1 LEU 12 HD12 LEU 12 20.731 3.148 3.148
121 2HD1 LEU 12 HD11 LEU 12 21.911 3.771 3.771
122 3HD1 LEU 12 HD13 LEU 12 20.516 4.752 4.752
123 1HD2 LEU 12 HD22 LEU 12 24.174 4.882 4.882
124 2HD2 LEU 12 HD21 LEU 12 23.267 6.374 6.374
125 3HD2 LEU 12 HD23 LEU 12 23.348 5.162 5.162
126 H ILE 13 HN ILE 13 22.535 3.042 3.042
127 HA ILE 13 HA ILE 13 25.148 1.681 1.681
128 HB ILE 13 HB ILE 13 23.703 -0.406 -0.406
129 1HG1 ILE 13 HG12 ILE 13 21.728 -0.260 -0.260
130 2HG1 ILE 13 HG11 ILE 13 21.750 1.416 1.416
131 1HG2 ILE 13 HG22 ILE 13 25.096 0.368 0.368
132 2HG2 ILE 13 HG21 ILE 13 23.521 -0.070 -0.070
133 3HG2 ILE 13 HG23 ILE 13 24.439 -1.245 -1.245
134 1HD1 ILE 13 HD13 ILE 13 21.866 -0.655 -0.655
135 2HD1 ILE 13 HD12 ILE 13 20.328 -0.447 -0.447
136 3HD1 ILE 13 HD11 ILE 13 21.067 0.917 0.917
137 H GLU 14 HN GLU 14 24.230 3.813 3.813
138 HA GLU 14 HA GLU 14 23.750 2.616 2.616
139 1HB GLU 14 HB2 GLU 14 22.717 5.112 5.112
140 2HB GLU 14 HB1 GLU 14 22.401 4.699 4.699
141 1HG GLU 14 HG2 GLU 14 21.858 2.593 2.593
142 2HG GLU 14 HG1 GLU 14 20.759 3.969 3.969
143 1H CYS 1 HT2 CYS 1 3.572 7.868 7.868
144 2H CYS 1 HT1 CYS 1 3.209 9.406 9.406
145 3H CYS 1 HT3 CYS 1 4.483 9.219 9.219
146 HA CYS 1 HA CYS 1 2.837 10.042 10.042
147 1HB CYS 1 HB2 CYS 1 0.475 9.451 9.451
148 2HB CYS 1 HB1 CYS 1 1.216 10.010 10.010
149 H TYR 2 HN TYR 2 2.670 9.236 9.236
150 HA TYR 2 HA TYR 2 2.396 7.688 7.688
151 1HB TYR 2 HB2 TYR 2 1.184 5.846 5.846
152 2HB TYR 2 HB1 TYR 2 1.309 6.343 6.343
153 HD1 TYR 2 HD1 TYR 2 3.369 4.637 4.637
154 HD2 TYR 2 HD2 TYR 2 2.243 4.805 4.805
155 HE1 TYR 2 HE1 TYR 2 4.790 2.675 2.675
156 HE2 TYR 2 HE2 TYR 2 3.664 2.834 2.834
157 HH TYR 2 HH TYR 2 4.815 0.802 0.802
158 H LEU 3 HN LEU 3 4.715 7.740 7.740
159 HA LEU 3 HA LEU 3 6.614 5.928 5.928
160 1HB LEU 3 HB2 LEU 3 6.309 7.719 7.719
161 2HB LEU 3 HB1 LEU 3 7.952 7.590 7.590
162 HG LEU 3 HG LEU 3 6.150 5.373 5.373
163 1HD1 LEU 3 HD13 LEU 3 8.751 6.511 6.511
164 2HD1 LEU 3 HD12 LEU 3 8.135 4.947 4.947
165 3HD1 LEU 3 HD11 LEU 3 7.215 6.415 6.415
166 1HD2 LEU 3 HD23 LEU 3 8.637 5.365 5.365
167 2HD2 LEU 3 HD22 LEU 3 7.241 4.290 4.290
168 3HD2 LEU 3 HD21 LEU 3 8.441 4.082 4.082
169 H ARG 4 HN ARG 4 5.966 9.389 9.389
170 HA ARG 4 HA ARG 4 8.200 10.380 10.380
171 1HB ARG 4 HB2 ARG 4 6.712 12.186 12.186
172 2HB ARG 4 HB1 ARG 4 6.115 11.543 11.543
173 1HG ARG 4 HG2 ARG 4 5.010 10.440 10.440
174 2HG ARG 4 HG1 ARG 4 4.437 11.994 11.994
175 1HD ARG 4 HD2 ARG 4 3.888 10.935 10.935
176 2HD ARG 4 HD1 ARG 4 4.358 9.363 9.363
177 HE ARG 4 HE ARG 4 2.468 9.467 9.467
178 1HH1 ARG 4 HH21 ARG 4 1.042 10.433 10.433
179 2HH1 ARG 4 HH22 ARG 4 0.286 11.886 11.886
180 1HH2 ARG 4 HH11 ARG 4 2.291 12.150 12.150
181 2HH2 ARG 4 HH12 ARG 4 0.995 12.860 12.860
182 H ARG 5 HN ARG 5 5.532 8.378 8.378
183 HA ARG 5 HA ARG 5 6.243 8.502 8.502
184 1HB ARG 5 HB2 ARG 5 4.082 7.855 7.855
185 2HB ARG 5 HB1 ARG 5 3.921 8.189 8.189
186 1HG ARG 5 HG2 ARG 5 4.834 5.704 5.704
187 2HG ARG 5 HG1 ARG 5 4.183 5.561 5.561
188 1HD ARG 5 HD2 ARG 5 2.696 6.327 6.327
189 2HD ARG 5 HD1 ARG 5 2.370 4.963 4.963
190 HE ARG 5 HE ARG 5 1.676 7.779 7.779
191 1HH1 ARG 5 HH21 ARG 5 0.686 4.710 4.710
192 2HH1 ARG 5 HH22 ARG 5 0.411 4.906 4.906
193 1HH2 ARG 5 HH11 ARG 5 1.962 8.001 8.001
194 2HH2 ARG 5 HH12 ARG 5 1.129 6.769 6.769
195 H PHE 6 HN PHE 6 6.664 6.482 6.482
196 HA PHE 6 HA PHE 6 7.548 4.104 4.104
197 1HB PHE 6 HB2 PHE 6 6.506 4.082 4.082
198 2HB PHE 6 HB1 PHE 6 7.867 5.014 5.014
199 HD1 PHE 6 HD1 PHE 6 6.907 1.810 1.810
200 HD2 PHE 6 HD2 PHE 6 9.893 4.000 4.000
201 HE1 PHE 6 HE1 PHE 6 8.162 -0.276 -0.276
202 HE2 PHE 6 HE2 PHE 6 11.154 1.917 1.917
203 HZ PHE 6 HZ PHE 6 10.299 -0.241 -0.241
204 H PHE 7 HN PHE 7 9.291 6.495 6.495
205 HA PHE 7 HA PHE 7 11.877 5.486 5.486
206 1HB PHE 7 HB2 PHE 7 12.535 7.205 7.205
207 2HB PHE 7 HB1 PHE 7 10.808 7.259 7.259
208 HD1 PHE 7 HD1 PHE 7 13.381 8.672 8.672
209 HD2 PHE 7 HD2 PHE 7 9.611 9.244 9.244
210 HE1 PHE 7 HE1 PHE 7 13.296 11.002 11.002
211 HE2 PHE 7 HE2 PHE 7 9.526 11.578 11.578
212 HZ PHE 7 HZ PHE 7 11.367 12.455 12.455
213 H LYS 8 HN LYS 8 9.952 8.026 8.026
214 HA LYS 8 HA LYS 8 11.736 9.154 9.154
215 1HB LYS 8 HB2 LYS 8 8.938 8.675 8.675
216 2HB LYS 8 HB1 LYS 8 9.432 8.448 8.448
217 1HG LYS 8 HG2 LYS 8 10.241 10.641 10.641
218 2HG LYS 8 HG1 LYS 8 10.389 10.834 10.834
219 1HD LYS 8 HD2 LYS 8 7.670 10.267 10.267
220 2HD LYS 8 HD1 LYS 8 8.129 11.431 11.431
221 1HE LYS 8 HE2 LYS 8 9.320 12.232 12.232
222 2HE LYS 8 HE1 LYS 8 7.578 11.981 11.981
223 1HZ LYS 8 HZ2 LYS 8 8.797 13.513 13.513
224 2HZ LYS 8 HZ1 LYS 8 8.073 14.210 14.210
225 3HZ LYS 8 HZ3 LYS 8 7.136 13.304 13.304
226 H ALA 9 HN ALA 9 10.004 6.083 6.083
227 HA ALA 9 HA ALA 9 11.471 5.435 5.435
228 1HB ALA 9 HB1 ALA 9 9.172 4.619 4.619
229 2HB ALA 9 HB3 ALA 9 10.063 3.538 3.538
230 3HB ALA 9 HB2 ALA 9 10.238 3.387 3.387
231 H LYS 10 HN LYS 10 11.638 4.366 4.366
232 HA LYS 10 HA LYS 10 13.647 2.511 2.511
233 1HB LYS 10 HB2 LYS 10 12.373 3.702 3.702
234 2HB LYS 10 HB1 LYS 10 13.635 4.923 4.923
235 1HG LYS 10 HG2 LYS 10 14.974 3.662 3.662
236 2HG LYS 10 HG1 LYS 10 14.912 2.387 2.387
237 1HD LYS 10 HD2 LYS 10 12.503 2.001 2.001
238 2HD LYS 10 HD1 LYS 10 13.365 2.671 2.671
239 1HE LYS 10 HE2 LYS 10 14.920 0.653 0.653
240 2HE LYS 10 HE1 LYS 10 13.446 0.019 0.019
241 1HZ LYS 10 HZ3 LYS 10 14.127 1.354 1.354
242 2HZ LYS 10 HZ2 LYS 10 15.649 1.534 1.534
243 3HZ LYS 10 HZ1 LYS 10 15.074 -0.014 -0.014
244 H LYS 11 HN LYS 11 14.149 6.037 6.037
245 HA LYS 11 HA LYS 11 16.920 6.182 6.182
246 1HB LYS 11 HB2 LYS 11 14.614 7.695 7.695
247 2HB LYS 11 HB1 LYS 11 16.118 8.018 8.018
248 1HG LYS 11 HG2 LYS 11 15.825 8.112 8.112
249 2HG LYS 11 HG1 LYS 11 15.775 9.529 9.529
250 1HD LYS 11 HD2 LYS 11 18.092 7.729 7.729
251 2HD LYS 11 HD1 LYS 11 18.060 8.590 8.590
252 1HE LYS 11 HE2 LYS 11 17.322 10.534 10.534
253 2HE LYS 11 HE1 LYS 11 18.631 9.631 9.631
254 1HZ LYS 11 HZ3 LYS 11 19.586 9.735 9.735
255 2HZ LYS 11 HZ2 LYS 11 18.672 11.167 11.167
256 3HZ LYS 11 HZ1 LYS 11 19.890 10.960 10.960
257 H LEU 12 HN LEU 12 14.754 5.110 5.110
258 HA LEU 12 HA LEU 12 16.800 5.111 5.111
259 1HB LEU 12 HB2 LEU 12 15.112 4.234 4.234
260 2HB LEU 12 HB1 LEU 12 14.256 5.241 5.241
261 HG LEU 12 HG LEU 12 14.342 2.845 2.845
262 1HD1 LEU 12 HD11 LEU 12 14.136 2.336 2.336
263 2HD1 LEU 12 HD13 LEU 12 13.567 1.197 1.197
264 3HD1 LEU 12 HD12 LEU 12 15.277 1.619 1.619
265 1HD2 LEU 12 HD21 LEU 12 12.491 4.600 4.600
266 2HD2 LEU 12 HD23 LEU 12 12.114 3.220 3.220
267 3HD2 LEU 12 HD22 LEU 12 12.068 3.047 3.047
268 H ILE 13 HN ILE 13 16.290 3.109 3.109
269 HA ILE 13 HA ILE 13 18.033 1.032 1.032
270 HB ILE 13 HB ILE 13 16.464 -0.583 -0.583
271 1HG1 ILE 13 HG12 ILE 13 14.225 1.013 1.013
272 2HG1 ILE 13 HG11 ILE 13 15.125 1.811 1.811
273 1HG2 ILE 13 HG22 ILE 13 16.677 0.173 0.173
274 2HG2 ILE 13 HG21 ILE 13 14.957 0.004 0.004
275 3HG2 ILE 13 HG23 ILE 13 16.055 -1.344 -1.344
276 1HD1 ILE 13 HD11 ILE 13 14.980 -0.841 -0.841
277 2HD1 ILE 13 HD13 ILE 13 13.387 -0.519 -0.519
278 3HD1 ILE 13 HD12 ILE 13 14.007 0.496 0.496
279 H GLU 14 HN GLU 14 18.896 2.992 2.992
280 HA GLU 14 HA GLU 14 19.441 1.517 1.517
281 1HB GLU 14 HB2 GLU 14 18.932 4.422 4.422
282 2HB GLU 14 HB1 GLU 14 19.430 3.824 3.824
283 1HG GLU 14 HG2 GLU 14 17.159 2.427 2.427
284 2HG GLU 14 HG1 GLU 14 16.835 4.076 4.076
285 1H CYS 1 HT2 CYS 1 20.514 -9.319 -9.319
286 2H CYS 1 HT1 CYS 1 22.076 -8.798 -8.798
287 3H CYS 1 HT3 CYS 1 21.868 -9.953 -9.953
288 HA CYS 1 HA CYS 1 21.133 -8.406 -8.406
289 1HB CYS 1 HB2 CYS 1 22.821 -6.682 -6.682
290 2HB CYS 1 HB1 CYS 1 23.513 -8.118 -8.118
291 H TYR 2 HN TYR 2 18.930 -8.450 -8.450
292 HA TYR 2 HA TYR 2 18.089 -5.685 -5.685
293 1HB TYR 2 HB2 TYR 2 19.218 -6.392 -6.392
294 2HB TYR 2 HB1 TYR 2 17.577 -6.963 -6.963
295 HD1 TYR 2 HD1 TYR 2 16.490 -5.355 -5.355
296 HD2 TYR 2 HD2 TYR 2 18.873 -4.142 -4.142
297 HE1 TYR 2 HE1 TYR 2 15.716 -3.027 -3.027
298 HE2 TYR 2 HE2 TYR 2 18.116 -1.838 -1.838
299 HH TYR 2 HH TYR 2 17.209 -0.388 -0.388
300 H LEU 3 HN LEU 3 15.749 -6.286 -6.286
301 HA LEU 3 HA LEU 3 13.628 -7.222 -7.222
302 1HB LEU 3 HB2 LEU 3 15.450 -9.414 -9.414
303 2HB LEU 3 HB1 LEU 3 13.726 -9.646 -9.646
304 HG LEU 3 HG LEU 3 14.007 -8.838 -8.838
305 1HD1 LEU 3 HD11 LEU 3 16.829 -8.770 -8.770
306 2HD1 LEU 3 HD13 LEU 3 16.502 -9.266 -9.266
307 3HD1 LEU 3 HD12 LEU 3 15.971 -7.682 -7.682
308 1HD2 LEU 3 HD23 LEU 3 15.569 -11.288 -11.288
309 2HD2 LEU 3 HD22 LEU 3 13.836 -11.227 -11.227
310 3HD2 LEU 3 HD21 LEU 3 14.991 -10.958 -10.958
311 H ARG 4 HN ARG 4 15.232 -8.763 -8.763
312 HA ARG 4 HA ARG 4 13.307 -8.292 -8.292
313 1HB ARG 4 HB2 ARG 4 15.687 -7.922 -7.922
314 2HB ARG 4 HB1 ARG 4 14.899 -9.455 -9.455
315 1HG ARG 4 HG2 ARG 4 16.995 -9.952 -9.952
316 2HG ARG 4 HG1 ARG 4 16.296 -9.342 -9.342
317 1HD ARG 4 HD2 ARG 4 18.629 -8.448 -8.448
318 2HD ARG 4 HD1 ARG 4 17.445 -7.271 -7.271
319 HE ARG 4 HE ARG 4 17.236 -6.464 -6.464
320 1HH1 ARG 4 HH21 ARG 4 16.861 -9.383 -9.383
321 2HH1 ARG 4 HH22 ARG 4 18.135 -9.459 -9.459
322 1HH2 ARG 4 HH11 ARG 4 19.732 -6.608 -6.608
323 2HH2 ARG 4 HH12 ARG 4 19.761 -7.889 -7.889
324 H ARG 5 HN ARG 5 16.110 -6.132 -6.132
325 HA ARG 5 HA ARG 5 14.958 -4.026 -4.026
326 1HB ARG 5 HB2 ARG 5 16.987 -2.852 -2.852
327 2HB ARG 5 HB1 ARG 5 17.398 -4.546 -4.546
328 1HG ARG 5 HG2 ARG 5 16.906 -4.770 -4.770
329 2HG ARG 5 HG1 ARG 5 17.256 -3.040 -3.040
330 1HD ARG 5 HD2 ARG 5 19.122 -4.947 -4.947
331 2HD ARG 5 HD1 ARG 5 19.254 -4.691 -4.691
332 HE ARG 5 HE ARG 5 19.000 -2.152 -2.152
333 1HH1 ARG 5 HH21 ARG 5 21.164 -4.833 -4.833
334 2HH1 ARG 5 HH22 ARG 5 22.590 -3.852 -3.852
335 1HH2 ARG 5 HH11 ARG 5 20.856 -0.851 -0.851
336 2HH2 ARG 5 HH12 ARG 5 22.417 -1.601 -1.601
337 H PHE 6 HN PHE 6 14.824 -4.958 -4.958
338 HA PHE 6 HA PHE 6 13.952 -2.323 -2.323
339 1HB PHE 6 HB2 PHE 6 15.239 -3.499 -3.499
340 2HB PHE 6 HB1 PHE 6 14.506 -5.029 -5.029
341 HD1 PHE 6 HD1 PHE 6 12.355 -5.698 -5.698
342 HD2 PHE 6 HD2 PHE 6 14.198 -2.003 -2.003
343 HE1 PHE 6 HE1 PHE 6 10.797 -5.510 -5.510
344 HE2 PHE 6 HE2 PHE 6 12.641 -1.803 -1.803
345 HZ PHE 6 HZ PHE 6 10.927 -3.557 -3.557
346 H PHE 7 HN PHE 7 12.529 -5.590 -5.590
347 HA PHE 7 HA PHE 7 9.896 -4.946 -4.946
348 1HB PHE 7 HB2 PHE 7 11.376 -7.122 -7.122
349 2HB PHE 7 HB1 PHE 7 10.177 -6.938 -6.938
350 HD1 PHE 7 HD1 PHE 7 7.815 -5.963 -5.963
351 HD2 PHE 7 HD2 PHE 7 10.699 -8.784 -8.784
352 HE1 PHE 7 HE1 PHE 7 6.091 -6.948 -6.948
353 HE2 PHE 7 HE2 PHE 7 8.974 -9.775 -9.775
354 HZ PHE 7 HZ PHE 7 6.667 -8.857 -8.857
355 H LYS 8 HN LYS 8 11.465 -4.927 -4.927
356 HA LYS 8 HA LYS 8 9.361 -4.375 -4.375
357 1HB LYS 8 HB2 LYS 8 12.207 -3.643 -3.643
358 2HB LYS 8 HB1 LYS 8 11.275 -2.735 -2.735
359 1HG LYS 8 HG2 LYS 8 10.900 -5.691 -5.691
360 2HG LYS 8 HG1 LYS 8 12.437 -5.096 -5.096
361 1HD LYS 8 HD2 LYS 8 11.383 -4.734 -4.734
362 2HD LYS 8 HD1 LYS 8 10.519 -3.422 -3.422
363 1HE LYS 8 HE2 LYS 8 8.573 -4.581 -4.581
364 2HE LYS 8 HE1 LYS 8 9.333 -5.996 -5.996
365 1HZ LYS 8 HZ1 LYS 8 10.162 -5.415 -5.415
366 2HZ LYS 8 HZ3 LYS 8 8.561 -5.948 -5.948
367 3HZ LYS 8 HZ2 LYS 8 9.840 -6.909 -6.909
368 H ALA 9 HN ALA 9 10.824 -2.292 -2.292
369 HA ALA 9 HA ALA 9 9.300 0.062 0.062
370 1HB ALA 9 HB1 ALA 9 11.363 -0.634 -0.634
371 2HB ALA 9 HB3 ALA 9 10.483 0.891 0.891
372 3HB ALA 9 HB2 ALA 9 11.477 0.543 0.543
373 H LYS 10 HN LYS 10 9.386 -2.322 -2.322
374 HA LYS 10 HA LYS 10 7.482 -1.276 -1.276
375 1HB LYS 10 HB2 LYS 10 8.976 -3.402 -3.402
376 2HB LYS 10 HB1 LYS 10 7.589 -4.148 -4.148
377 1HG LYS 10 HG2 LYS 10 7.163 -4.556 -4.556
378 2HG LYS 10 HG1 LYS 10 6.214 -3.104 -3.104
379 1HD LYS 10 HD2 LYS 10 8.273 -1.776 -1.776
380 2HD LYS 10 HD1 LYS 10 8.908 -3.303 -3.303
381 1HE LYS 10 HE2 LYS 10 6.115 -2.744 -2.744
382 2HE LYS 10 HE1 LYS 10 7.322 -1.631 -1.631
383 1HZ LYS 10 HZ1 LYS 10 8.658 -3.531 -3.531
384 2HZ LYS 10 HZ3 LYS 10 7.504 -4.598 -4.598
385 3HZ LYS 10 HZ2 LYS 10 7.114 -3.626 -3.626
386 H LYS 11 HN LYS 11 6.931 -3.361 -3.361
387 HA LYS 11 HA LYS 11 4.176 -3.662 -3.662
388 1HB LYS 11 HB2 LYS 11 6.308 -3.750 -3.750
389 2HB LYS 11 HB1 LYS 11 4.917 -2.966 -2.966
390 1HG LYS 11 HG2 LYS 11 4.957 -5.676 -5.676
391 2HG LYS 11 HG1 LYS 11 4.722 -5.357 -5.357
392 1HD LYS 11 HD2 LYS 11 2.708 -3.904 -3.904
393 2HD LYS 11 HD1 LYS 11 2.849 -4.797 -4.797
394 1HE LYS 11 HE2 LYS 11 2.688 -6.940 -6.940
395 2HE LYS 11 HE1 LYS 11 2.394 -5.983 -5.983
396 1HZ LYS 11 HZ3 LYS 11 0.687 -4.809 -4.809
397 2HZ LYS 11 HZ2 LYS 11 0.702 -6.331 -6.331
398 3HZ LYS 11 HZ1 LYS 11 0.261 -6.195 -6.195
399 H LEU 12 HN LEU 12 6.023 -0.800 -0.800
400 HA LEU 12 HA LEU 12 3.880 0.774 0.774
401 1HB LEU 12 HB2 LEU 12 6.418 1.607 1.607
402 2HB LEU 12 HB1 LEU 12 5.477 2.607 2.607
403 HG LEU 12 HG LEU 12 7.051 0.103 0.103
404 1HD1 LEU 12 HD11 LEU 12 7.192 3.023 3.023
405 2HD1 LEU 12 HD13 LEU 12 7.832 1.824 1.824
406 3HD1 LEU 12 HD12 LEU 12 8.486 1.937 1.937
407 1HD2 LEU 12 HD22 LEU 12 4.751 1.393 1.393
408 2HD2 LEU 12 HD21 LEU 12 5.207 -0.310 -0.310
409 3HD2 LEU 12 HD23 LEU 12 6.087 0.794 0.794
410 H ILE 13 HN ILE 13 4.541 -0.304 -0.304
411 HA ILE 13 HA ILE 13 2.527 1.607 1.607
412 HB ILE 13 HB ILE 13 4.022 1.604 1.604
413 1HG1 ILE 13 HG12 ILE 13 6.499 1.559 1.559
414 2HG1 ILE 13 HG11 ILE 13 5.794 0.375 0.375
415 1HG2 ILE 13 HG21 ILE 13 4.649 3.063 3.063
416 2HG2 ILE 13 HG23 ILE 13 5.464 3.446 3.446
417 3HG2 ILE 13 HG22 ILE 13 3.717 3.641 3.641
418 1HD1 ILE 13 HD12 ILE 13 5.586 0.271 0.271
419 2HD1 ILE 13 HD11 ILE 13 6.737 -0.661 -0.661
420 3HD1 ILE 13 HD13 ILE 13 5.007 -0.951 -0.951
421 H GLU 14 HN GLU 14 2.078 -1.001 -1.001
422 HA GLU 14 HA GLU 14 1.634 -2.345 -2.345
423 1HB GLU 14 HB2 GLU 14 2.361 -3.357 -3.357
424 2HB GLU 14 HB1 GLU 14 2.005 -4.418 -4.418
425 1HG GLU 14 HG2 GLU 14 3.951 -2.254 -2.254
426 2HG GLU 14 HG1 GLU 14 4.502 -3.505 -3.505
427 1H CYS 1 HT2 CYS 1 25.177 -6.991 -6.991
428 2H CYS 1 HT1 CYS 1 26.439 -6.548 -6.548
429 3H CYS 1 HT3 CYS 1 25.345 -7.762 -7.762
430 HA CYS 1 HA CYS 1 23.597 -6.246 -6.246
431 1HB CYS 1 HB2 CYS 1 26.344 -5.361 -5.361
432 2HB CYS 1 HB1 CYS 1 24.917 -4.453 -4.453
433 H TYR 2 HN TYR 2 23.371 -5.761 -5.761
434 HA TYR 2 HA TYR 2 22.918 -3.009 -3.009
435 1HB TYR 2 HB2 TYR 2 24.903 -2.201 -2.201
436 2HB TYR 2 HB1 TYR 2 25.624 -3.613 -3.613
437 HD1 TYR 2 HD1 TYR 2 23.796 -2.705 -2.705
438 HD2 TYR 2 HD2 TYR 2 26.921 -5.001 -5.001
439 HE1 TYR 2 HE1 TYR 2 24.408 -3.602 -3.602
440 HE2 TYR 2 HE2 TYR 2 27.556 -5.900 -5.900
441 HH TYR 2 HH TYR 2 27.272 -5.680 -5.680
442 H LEU 3 HN LEU 3 23.735 -6.148 -6.148
443 HA LEU 3 HA LEU 3 22.691 -6.046 -6.046
444 1HB LEU 3 HB2 LEU 3 22.878 -8.007 -8.007
445 2HB LEU 3 HB1 LEU 3 21.801 -8.443 -8.443
446 HG LEU 3 HG LEU 3 23.634 -8.075 -8.075
447 1HD1 LEU 3 HD11 LEU 3 24.757 -6.366 -6.366
448 2HD1 LEU 3 HD13 LEU 3 25.438 -7.751 -7.751
449 3HD1 LEU 3 HD12 LEU 3 25.831 -7.483 -7.483
450 1HD2 LEU 3 HD21 LEU 3 23.294 -10.312 -10.312
451 2HD2 LEU 3 HD23 LEU 3 24.989 -10.019 -10.019
452 3HD2 LEU 3 HD22 LEU 3 24.428 -9.869 -9.869
453 H ARG 4 HN ARG 4 20.887 -6.888 -6.888
454 HA ARG 4 HA ARG 4 18.301 -6.889 -6.889
455 1HB ARG 4 HB2 ARG 4 17.774 -6.007 -6.007
456 2HB ARG 4 HB1 ARG 4 18.298 -7.655 -7.655
457 1HG ARG 4 HG2 ARG 4 19.485 -6.418 -6.418
458 2HG ARG 4 HG1 ARG 4 20.529 -7.177 -7.177
459 1HD ARG 4 HD2 ARG 4 21.124 -5.132 -5.132
460 2HD ARG 4 HD1 ARG 4 19.686 -4.300 -4.300
461 HE ARG 4 HE ARG 4 22.089 -5.037 -5.037
462 1HH1 ARG 4 HH21 ARG 4 19.773 -2.709 -2.709
463 2HH1 ARG 4 HH22 ARG 4 19.499 -2.281 -2.281
464 1HH2 ARG 4 HH11 ARG 4 21.390 -4.897 -4.897
465 2HH2 ARG 4 HH12 ARG 4 20.417 -3.517 -3.517
466 H ARG 5 HN ARG 5 20.442 -4.214 -4.214
467 HA ARG 5 HA ARG 5 18.227 -2.258 -2.258
468 1HB ARG 5 HB2 ARG 5 19.722 -0.848 -0.848
469 2HB ARG 5 HB1 ARG 5 20.648 -2.315 -2.315
470 1HG ARG 5 HG2 ARG 5 21.592 -1.859 -1.859
471 2HG ARG 5 HG1 ARG 5 21.061 -0.210 -0.210
472 1HD ARG 5 HD2 ARG 5 22.426 -1.192 -1.192
473 2HD ARG 5 HD1 ARG 5 23.447 -1.456 -1.456
474 HE ARG 5 HE ARG 5 22.522 1.163 1.163
475 1HH1 ARG 5 HH11 ARG 5 25.339 0.667 0.667
476 2HH1 ARG 5 HH12 ARG 5 25.411 1.391 1.391
477 1HH2 ARG 5 HH21 ARG 5 21.969 1.496 1.496
478 2HH2 ARG 5 HH22 ARG 5 23.504 1.861 1.861
479 H PHE 6 HN PHE 6 20.392 -3.881 -3.881
480 HA PHE 6 HA PHE 6 20.061 -1.827 -1.827
481 1HB PHE 6 HB2 PHE 6 22.292 -2.451 -2.451
482 2HB PHE 6 HB1 PHE 6 21.871 -4.121 -4.121
483 HD1 PHE 6 HD1 PHE 6 22.307 -1.595 -1.595
484 HD2 PHE 6 HD2 PHE 6 21.364 -5.685 -5.685
485 HE1 PHE 6 HE1 PHE 6 22.639 -2.151 -2.151
486 HE2 PHE 6 HE2 PHE 6 21.690 -6.253 -6.253
487 HZ PHE 6 HZ PHE 6 22.330 -4.488 -4.488
488 H PHE 7 HN PHE 7 19.727 -5.373 -5.373
489 HA PHE 7 HA PHE 7 18.330 -5.716 -5.716
490 1HB PHE 7 HB2 PHE 7 18.563 -7.917 -7.917
491 2HB PHE 7 HB1 PHE 7 19.597 -7.289 -7.289
492 HD1 PHE 7 HD1 PHE 7 16.013 -8.093 -8.093
493 HD2 PHE 7 HD2 PHE 7 19.088 -7.767 -7.767
494 HE1 PHE 7 HE1 PHE 7 14.471 -9.044 -9.044
495 HE2 PHE 7 HE2 PHE 7 17.547 -8.715 -8.715
496 HZ PHE 7 HZ PHE 7 15.238 -9.355 -9.355
497 H LYS 8 HN LYS 8 17.326 -4.740 -4.740
498 HA LYS 8 HA LYS 8 14.626 -5.468 -5.468
499 1HB LYS 8 HB2 LYS 8 16.410 -3.563 -3.563
500 2HB LYS 8 HB1 LYS 8 14.794 -2.892 -2.892
501 1HG LYS 8 HG2 LYS 8 15.466 -5.560 -5.560
502 2HG LYS 8 HG1 LYS 8 15.057 -4.085 -4.085
503 1HD LYS 8 HD2 LYS 8 12.845 -4.312 -4.312
504 2HD LYS 8 HD1 LYS 8 13.126 -4.784 -4.784
505 1HE LYS 8 HE2 LYS 8 13.109 -7.023 -7.023
506 2HE LYS 8 HE1 LYS 8 13.945 -6.780 -6.780
507 1HZ LYS 8 HZ2 LYS 8 11.752 -5.523 -5.523
508 2HZ LYS 8 HZ1 LYS 8 11.087 -6.510 -6.510
509 3HZ LYS 8 HZ3 LYS 8 11.827 -7.214 -7.214
510 H ALA 9 HN ALA 9 16.050 -2.484 -2.484
511 HA ALA 9 HA ALA 9 13.564 -1.508 -1.508
512 1HB ALA 9 HB1 ALA 9 16.020 -0.491 -0.491
513 2HB ALA 9 HB3 ALA 9 16.164 -0.752 -0.752
514 3HB ALA 9 HB2 ALA 9 14.884 0.283 0.283
515 H LYS 10 HN LYS 10 15.950 -3.773 -3.773
516 HA LYS 10 HA LYS 10 15.367 -3.707 -3.707
517 1HB LYS 10 HB2 LYS 10 17.335 -4.623 -4.623
518 2HB LYS 10 HB1 LYS 10 16.404 -6.100 -6.100
519 1HG LYS 10 HG2 LYS 10 17.843 -6.205 -6.205
520 2HG LYS 10 HG1 LYS 10 16.400 -5.471 -5.471
521 1HD LYS 10 HD2 LYS 10 17.393 -3.220 -3.220
522 2HD LYS 10 HD1 LYS 10 18.863 -4.008 -4.008
523 1HE LYS 10 HE2 LYS 10 17.680 -4.117 -4.117
524 2HE LYS 10 HE1 LYS 10 19.280 -3.517 -3.517
525 1HZ LYS 10 HZ3 LYS 10 19.627 -5.817 -5.817
526 2HZ LYS 10 HZ2 LYS 10 18.272 -6.301 -6.301
527 3HZ LYS 10 HZ1 LYS 10 19.653 -5.705 -5.705
528 H LYS 11 HN LYS 11 14.740 -6.323 -6.323
529 HA LYS 11 HA LYS 11 12.988 -7.877 -7.877
530 1HB LYS 11 HB2 LYS 11 13.485 -7.238 -7.238
531 2HB LYS 11 HB1 LYS 11 11.884 -7.908 -7.908
532 1HG LYS 11 HG2 LYS 11 14.486 -9.147 -9.147
533 2HG LYS 11 HG1 LYS 11 13.573 -9.679 -9.679
534 1HD LYS 11 HD2 LYS 11 11.936 -10.666 -10.666
535 2HD LYS 11 HD1 LYS 11 12.036 -9.448 -9.448
536 1HE LYS 11 HE2 LYS 11 14.422 -10.550 -10.550
537 2HE LYS 11 HE1 LYS 11 13.645 -11.951 -11.951
538 1HZ LYS 11 HZ2 LYS 11 12.374 -10.367 -10.367
539 2HZ LYS 11 HZ1 LYS 11 13.292 -11.765 -11.765
540 3HZ LYS 11 HZ3 LYS 11 11.871 -11.866 -11.866
541 H LEU 12 HN LEU 12 12.346 -4.759 -4.759
542 HA LEU 12 HA LEU 12 9.493 -4.813 -4.813
543 1HB LEU 12 HB2 LEU 12 11.646 -2.742 -2.742
544 2HB LEU 12 HB1 LEU 12 9.960 -2.250 -2.250
545 HG LEU 12 HG LEU 12 10.948 -4.238 -4.238
546 1HD1 LEU 12 HD11 LEU 12 10.362 -1.273 -1.273
547 2HD1 LEU 12 HD13 LEU 12 10.452 -2.324 -2.324
548 3HD1 LEU 12 HD12 LEU 12 11.872 -2.094 -2.094
549 1HD2 LEU 12 HD22 LEU 12 8.298 -2.904 -2.904
550 2HD2 LEU 12 HD21 LEU 12 8.642 -4.629 -4.629
551 3HD2 LEU 12 HD23 LEU 12 8.659 -3.603 -3.603
552 H ILE 13 HN ILE 13 11.880 -4.641 -4.641
553 HA ILE 13 HA ILE 13 9.846 -3.834 -3.834
554 HB ILE 13 HB ILE 13 11.701 -2.280 -2.280
555 1HG1 ILE 13 HG12 ILE 13 12.757 -1.326 -1.326
556 2HG1 ILE 13 HG11 ILE 13 12.813 -3.061 -3.061
557 1HG2 ILE 13 HG23 ILE 13 9.478 -1.851 -1.851
558 2HG2 ILE 13 HG22 ILE 13 10.742 -1.017 -1.017
559 3HG2 ILE 13 HG21 ILE 13 10.426 -0.583 -0.583
560 1HD1 ILE 13 HD11 ILE 13 13.886 -3.295 -3.295
561 2HD1 ILE 13 HD13 ILE 13 14.004 -1.536 -1.536
562 3HD1 ILE 13 HD12 ILE 13 14.872 -2.442 -2.442
563 H GLU 14 HN GLU 14 10.874 -6.338 -6.338
564 HA GLU 14 HA GLU 14 12.609 -6.666 -6.666
565 1HB GLU 14 HB2 GLU 14 12.572 -8.015 -8.015
566 2HB GLU 14 HB1 GLU 14 13.620 -8.520 -8.520
567 1HG GLU 14 HG2 GLU 14 13.634 -5.636 -5.636
568 2HG GLU 14 HG1 GLU 14 14.377 -6.713 -6.713
Start of MODEL 5
1 1H CYS 1 HT3 CYS 1 3.046 5.185 5.185
2 2H CYS 1 HT2 CYS 1 2.580 6.806 6.806
3 3H CYS 1 HT1 CYS 1 4.202 6.419 6.419
4 HA CYS 1 HA CYS 1 3.941 6.949 6.949
5 1HB CYS 1 HB2 CYS 1 1.664 5.100 5.100
6 2HB CYS 1 HB1 CYS 1 2.430 4.984 4.984
7 H TYR 2 HN TYR 2 4.964 4.657 4.657
8 HA TYR 2 HA TYR 2 6.257 3.026 3.026
9 1HB TYR 2 HB2 TYR 2 6.132 1.239 1.239
10 2HB TYR 2 HB1 TYR 2 4.726 2.167 2.167
11 HD1 TYR 2 HD1 TYR 2 8.344 1.659 1.659
12 HD2 TYR 2 HD2 TYR 2 4.614 3.069 3.069
13 HE1 TYR 2 HE1 TYR 2 9.403 1.975 1.975
14 HE2 TYR 2 HE2 TYR 2 5.659 3.385 3.385
15 HH TYR 2 HH TYR 2 9.034 2.416 2.416
16 H LEU 3 HN LEU 3 6.771 5.217 5.217
17 HA LEU 3 HA LEU 3 9.403 4.835 4.835
18 1HB LEU 3 HB2 LEU 3 7.655 7.157 7.157
19 2HB LEU 3 HB1 LEU 3 9.351 7.508 7.508
20 HG LEU 3 HG LEU 3 9.230 6.267 6.267
21 1HD1 LEU 3 HD13 LEU 3 7.437 4.698 4.698
22 2HD1 LEU 3 HD12 LEU 3 6.275 5.992 5.992
23 3HD1 LEU 3 HD11 LEU 3 7.185 5.309 5.309
24 1HD2 LEU 3 HD21 LEU 3 8.092 8.741 8.741
25 2HD2 LEU 3 HD23 LEU 3 8.487 8.111 8.111
26 3HD2 LEU 3 HD22 LEU 3 6.860 7.909 7.909
27 H ARG 4 HN ARG 4 8.361 6.818 6.818
28 HA ARG 4 HA ARG 4 10.725 7.404 7.404
29 1HB ARG 4 HB2 ARG 4 8.399 6.246 6.246
30 2HB ARG 4 HB1 ARG 4 9.378 7.655 7.655
31 1HG ARG 4 HG2 ARG 4 7.584 8.814 8.814
32 2HG ARG 4 HG1 ARG 4 8.272 8.449 8.449
33 1HD ARG 4 HD2 ARG 4 6.859 6.333 6.333
34 2HD ARG 4 HD1 ARG 4 6.077 6.904 6.904
35 HE ARG 4 HE ARG 4 5.473 7.908 7.908
36 1HH1 ARG 4 HH11 ARG 4 3.868 8.514 8.514
37 2HH1 ARG 4 HH12 ARG 4 4.101 10.222 10.222
38 1HH2 ARG 4 HH21 ARG 4 6.850 10.330 10.330
39 2HH2 ARG 4 HH22 ARG 4 5.790 11.250 11.250
40 H ARG 5 HN ARG 5 8.944 4.356 4.356
41 HA ARG 5 HA ARG 5 10.793 2.972 2.972
42 1HB ARG 5 HB2 ARG 5 8.710 2.069 2.069
43 2HB ARG 5 HB1 ARG 5 8.306 2.484 2.484
44 1HG ARG 5 HG2 ARG 5 10.381 0.425 0.425
45 2HG ARG 5 HG1 ARG 5 8.887 -0.061 -0.061
46 1HD ARG 5 HD2 ARG 5 8.406 1.303 1.303
47 2HD ARG 5 HD1 ARG 5 9.317 -0.210 -0.210
48 HE ARG 5 HE ARG 5 6.548 -0.020 -0.020
49 1HH1 ARG 5 HH21 ARG 5 9.339 -1.963 -1.963
50 2HH1 ARG 5 HH22 ARG 5 8.659 -3.286 -3.286
51 1HH2 ARG 5 HH11 ARG 5 5.731 -1.613 -1.613
52 2HH2 ARG 5 HH12 ARG 5 6.621 -3.090 -3.090
53 H PHE 6 HN PHE 6 10.223 3.064 3.064
54 HA PHE 6 HA PHE 6 12.294 1.101 1.101
55 1HB PHE 6 HB2 PHE 6 10.899 1.106 1.106
56 2HB PHE 6 HB1 PHE 6 10.263 2.683 2.683
57 HD1 PHE 6 HD1 PHE 6 12.815 0.873 0.873
58 HD2 PHE 6 HD2 PHE 6 11.182 4.711 4.711
59 HE1 PHE 6 HE1 PHE 6 14.061 1.884 1.884
60 HE2 PHE 6 HE2 PHE 6 12.428 5.725 5.725
61 HZ PHE 6 HZ PHE 6 13.880 4.319 4.319
62 H PHE 7 HN PHE 7 12.023 4.642 4.642
63 HA PHE 7 HA PHE 7 14.627 5.138 5.138
64 1HB PHE 7 HB2 PHE 7 12.294 6.512 6.512
65 2HB PHE 7 HB1 PHE 7 13.729 7.314 7.314
66 HD1 PHE 7 HD1 PHE 7 15.748 6.902 6.902
67 HD2 PHE 7 HD2 PHE 7 11.559 7.692 7.692
68 HE1 PHE 7 HE1 PHE 7 16.210 7.839 7.839
69 HE2 PHE 7 HE2 PHE 7 12.023 8.637 8.637
70 HZ PHE 7 HZ PHE 7 14.349 8.711 8.711
71 H LYS 8 HN LYS 8 13.362 5.038 5.038
72 HA LYS 8 HA LYS 8 15.490 5.999 5.999
73 1HB LYS 8 HB2 LYS 8 13.321 4.098 4.098
74 2HB LYS 8 HB1 LYS 8 14.675 3.740 3.740
75 1HG LYS 8 HG2 LYS 8 14.611 5.965 5.965
76 2HG LYS 8 HG1 LYS 8 13.411 6.481 6.481
77 1HD LYS 8 HD2 LYS 8 12.476 5.905 5.905
78 2HD LYS 8 HD1 LYS 8 11.737 5.041 5.041
79 1HE LYS 8 HE2 LYS 8 12.698 3.014 3.014
80 2HE LYS 8 HE1 LYS 8 14.108 3.787 3.787
81 1HZ LYS 8 HZ2 LYS 8 12.672 4.632 4.632
82 2HZ LYS 8 HZ1 LYS 8 11.325 3.879 3.879
83 3HZ LYS 8 HZ3 LYS 8 12.580 2.936 2.936
84 H ALA 9 HN ALA 9 15.361 3.059 3.059
85 HA ALA 9 HA ALA 9 17.833 2.013 2.013
86 1HB ALA 9 HB2 ALA 9 15.674 1.101 1.101
87 2HB ALA 9 HB1 ALA 9 17.241 0.297 0.297
88 3HB ALA 9 HB3 ALA 9 16.345 0.286 0.286
89 H LYS 10 HN LYS 10 16.668 3.686 3.686
90 HA LYS 10 HA LYS 10 18.884 3.254 3.254
91 1HB LYS 10 HB2 LYS 10 16.409 4.226 4.226
92 2HB LYS 10 HB1 LYS 10 17.299 5.733 5.733
93 1HG LYS 10 HG2 LYS 10 17.082 5.151 5.151
94 2HG LYS 10 HG1 LYS 10 18.774 5.033 5.033
95 1HD LYS 10 HD2 LYS 10 18.813 2.756 2.756
96 2HD LYS 10 HD1 LYS 10 17.145 2.579 2.579
97 1HE LYS 10 HE2 LYS 10 16.619 2.221 2.221
98 2HE LYS 10 HE1 LYS 10 16.925 3.951 3.951
99 1HZ LYS 10 HZ3 LYS 10 19.328 3.369 3.369
100 2HZ LYS 10 HZ2 LYS 10 18.883 1.729 1.729
101 3HZ LYS 10 HZ1 LYS 10 18.377 2.773 2.773
102 H LYS 11 HN LYS 11 18.023 6.122 6.122
103 HA LYS 11 HA LYS 11 20.290 7.674 7.674
104 1HB LYS 11 HB2 LYS 11 18.313 7.247 7.247
105 2HB LYS 11 HB1 LYS 11 19.782 8.104 8.104
106 1HG LYS 11 HG2 LYS 11 18.736 9.946 9.946
107 2HG LYS 11 HG1 LYS 11 19.169 9.300 9.300
108 1HD LYS 11 HD2 LYS 11 17.028 8.751 8.751
109 2HD LYS 11 HD1 LYS 11 16.735 8.100 8.100
110 1HE LYS 11 HE2 LYS 11 16.963 10.820 10.820
111 2HE LYS 11 HE1 LYS 11 16.097 10.759 10.759
112 1HZ LYS 11 HZ3 LYS 11 15.411 9.080 9.080
113 2HZ LYS 11 HZ2 LYS 11 14.624 10.538 10.538
114 3HZ LYS 11 HZ1 LYS 11 14.536 9.219 9.219
115 H LEU 12 HN LEU 12 19.985 4.764 4.764
116 HA LEU 12 HA LEU 12 22.460 5.036 5.036
117 1HB LEU 12 HB2 LEU 12 20.670 2.692 2.692
118 2HB LEU 12 HB1 LEU 12 22.005 2.615 2.615
119 HG LEU 12 HG LEU 12 19.524 4.342 4.342
120 1HD1 LEU 12 HD11 LEU 12 19.636 1.840 1.840
121 2HD1 LEU 12 HD13 LEU 12 20.610 2.456 2.456
122 3HD1 LEU 12 HD12 LEU 12 18.956 3.026 3.026
123 1HD2 LEU 12 HD22 LEU 12 22.215 4.619 4.619
124 2HD2 LEU 12 HD21 LEU 12 20.968 5.839 5.839
125 3HD2 LEU 12 HD23 LEU 12 20.862 4.751 4.751
126 H ILE 13 HN ILE 13 21.837 4.392 4.392
127 HA ILE 13 HA ILE 13 24.610 3.435 3.435
128 HB ILE 13 HB ILE 13 23.551 1.711 1.711
129 1HG1 ILE 13 HG12 ILE 13 21.362 1.018 1.018
130 2HG1 ILE 13 HG11 ILE 13 21.207 2.763 2.763
131 1HG2 ILE 13 HG22 ILE 13 24.795 1.286 1.286
132 2HG2 ILE 13 HG21 ILE 13 23.211 1.182 1.182
133 3HG2 ILE 13 HG23 ILE 13 23.656 0.034 0.034
134 1HD1 ILE 13 HD12 ILE 13 21.653 2.446 2.446
135 2HD1 ILE 13 HD11 ILE 13 21.376 0.727 0.727
136 3HD1 ILE 13 HD13 ILE 13 20.089 1.890 1.890
137 H GLU 14 HN GLU 14 23.670 5.919 5.919
138 HA GLU 14 HA GLU 14 23.640 5.913 5.913
139 1HB GLU 14 HB2 GLU 14 22.147 7.538 7.538
140 2HB GLU 14 HB1 GLU 14 22.102 7.883 7.883
141 1HG GLU 14 HG2 GLU 14 21.579 5.085 5.085
142 2HG GLU 14 HG1 GLU 14 20.318 6.259 6.259
143 1H CYS 1 HT2 CYS 1 0.279 4.969 4.969
144 2H CYS 1 HT1 CYS 1 0.422 6.631 6.631
145 3H CYS 1 HT3 CYS 1 -0.368 5.619 5.619
146 HA CYS 1 HA CYS 1 1.677 4.500 4.500
147 1HB CYS 1 HB2 CYS 1 1.839 7.531 7.531
148 2HB CYS 1 HB1 CYS 1 2.810 6.515 6.515
149 H TYR 2 HN TYR 2 2.163 3.758 3.758
150 HA TYR 2 HA TYR 2 4.910 4.276 4.276
151 1HB TYR 2 HB2 TYR 2 4.876 6.028 6.028
152 2HB TYR 2 HB1 TYR 2 3.327 6.395 6.395
153 HD1 TYR 2 HD1 TYR 2 4.824 4.321 4.321
154 HD2 TYR 2 HD2 TYR 2 1.398 6.487 6.487
155 HE1 TYR 2 HE1 TYR 2 3.688 3.895 3.895
156 HE2 TYR 2 HE2 TYR 2 0.254 6.071 6.071
157 HH TYR 2 HH TYR 2 0.529 4.118 4.118
158 H LEU 3 HN LEU 3 1.742 3.236 3.236
159 HA LEU 3 HA LEU 3 2.304 1.712 1.712
160 1HB LEU 3 HB2 LEU 3 0.483 1.613 1.613
161 2HB LEU 3 HB1 LEU 3 0.635 0.096 0.096
162 HG LEU 3 HG LEU 3 0.002 1.154 1.154
163 1HD1 LEU 3 HD13 LEU 3 1.233 3.278 3.278
164 2HD1 LEU 3 HD12 LEU 3 -0.093 3.769 3.769
165 3HD1 LEU 3 HD11 LEU 3 -0.379 3.530 3.530
166 1HD2 LEU 3 HD21 LEU 3 -1.763 0.640 0.640
167 2HD2 LEU 3 HD23 LEU 3 -2.260 1.631 1.631
168 3HD2 LEU 3 HD22 LEU 3 -1.867 2.392 2.392
169 H ARG 4 HN ARG 4 2.191 0.333 0.333
170 HA ARG 4 HA ARG 4 3.561 -2.038 -2.038
171 1HB ARG 4 HB2 ARG 4 4.136 -1.791 -1.791
172 2HB ARG 4 HB1 ARG 4 2.517 -1.157 -1.157
173 1HG ARG 4 HG2 ARG 4 4.879 0.698 0.698
174 2HG ARG 4 HG1 ARG 4 4.227 0.256 0.256
175 1HD ARG 4 HD2 ARG 4 1.916 0.919 0.919
176 2HD ARG 4 HD1 ARG 4 2.874 1.766 1.766
177 HE ARG 4 HE ARG 4 3.351 3.372 3.372
178 1HH1 ARG 4 HH21 ARG 4 1.513 1.125 1.125
179 2HH1 ARG 4 HH22 ARG 4 2.268 1.300 1.300
180 1HH2 ARG 4 HH11 ARG 4 4.876 3.245 3.245
181 2HH2 ARG 4 HH12 ARG 4 4.172 2.494 2.494
182 H ARG 5 HN ARG 5 4.844 1.246 1.246
183 HA ARG 5 HA ARG 5 7.635 0.332 0.332
184 1HB ARG 5 HB2 ARG 5 6.178 2.913 2.913
185 2HB ARG 5 HB1 ARG 5 7.894 2.885 2.885
186 1HG ARG 5 HG2 ARG 5 8.472 2.548 2.548
187 2HG ARG 5 HG1 ARG 5 7.162 1.396 1.396
188 1HD ARG 5 HD2 ARG 5 6.727 3.369 3.369
189 2HD ARG 5 HD1 ARG 5 5.561 3.365 3.365
190 HE ARG 5 HE ARG 5 7.298 4.865 4.865
191 1HH1 ARG 5 HH21 ARG 5 5.652 5.719 5.719
192 2HH1 ARG 5 HH22 ARG 5 6.801 6.846 6.846
193 1HH2 ARG 5 HH11 ARG 5 9.350 5.864 5.864
194 2HH2 ARG 5 HH12 ARG 5 8.896 6.926 6.926
195 H PHE 6 HN PHE 6 5.395 1.739 1.739
196 HA PHE 6 HA PHE 6 7.288 1.699 1.699
197 1HB PHE 6 HB2 PHE 6 5.564 3.239 3.239
198 2HB PHE 6 HB1 PHE 6 4.382 2.127 2.127
199 HD1 PHE 6 HD1 PHE 6 6.390 2.944 2.944
200 HD2 PHE 6 HD2 PHE 6 3.155 0.636 0.636
201 HE1 PHE 6 HE1 PHE 6 5.694 2.332 2.332
202 HE2 PHE 6 HE2 PHE 6 2.460 0.019 0.019
203 HZ PHE 6 HZ PHE 6 3.725 0.861 0.861
204 H PHE 7 HN PHE 7 4.556 -0.350 -0.350
205 HA PHE 7 HA PHE 7 4.610 -2.215 -2.215
206 1HB PHE 7 HB2 PHE 7 3.528 -1.862 -1.862
207 2HB PHE 7 HB1 PHE 7 3.914 -3.555 -3.555
208 HD1 PHE 7 HD1 PHE 7 1.187 -1.687 -1.687
209 HD2 PHE 7 HD2 PHE 7 3.550 -3.782 -3.782
210 HE1 PHE 7 HE1 PHE 7 -0.795 -1.881 -1.881
211 HE2 PHE 7 HE2 PHE 7 1.579 -3.973 -3.973
212 HZ PHE 7 HZ PHE 7 -0.604 -3.025 -3.025
213 H LYS 8 HN LYS 8 6.193 -2.503 -2.503
214 HA LYS 8 HA LYS 8 7.575 -4.897 -4.897
215 1HB LYS 8 HB2 LYS 8 7.512 -2.733 -2.733
216 2HB LYS 8 HB1 LYS 8 9.194 -3.115 -3.115
217 1HG LYS 8 HG2 LYS 8 8.766 -5.484 -5.484
218 2HG LYS 8 HG1 LYS 8 7.078 -5.104 -5.104
219 1HD LYS 8 HD2 LYS 8 9.055 -3.442 -3.442
220 2HD LYS 8 HD1 LYS 8 9.023 -5.145 -5.145
221 1HE LYS 8 HE2 LYS 8 6.710 -5.045 -5.045
222 2HE LYS 8 HE1 LYS 8 6.502 -3.471 -3.471
223 1HZ LYS 8 HZ1 LYS 8 8.163 -2.550 -2.550
224 2HZ LYS 8 HZ3 LYS 8 8.255 -4.042 -4.042
225 3HZ LYS 8 HZ2 LYS 8 6.809 -3.151 -3.151
226 H ALA 9 HN ALA 9 8.033 -1.801 -1.801
227 HA ALA 9 HA ALA 9 10.821 -2.251 -2.251
228 1HB ALA 9 HB1 ALA 9 9.190 -0.069 -0.069
229 2HB ALA 9 HB3 ALA 9 9.262 -0.138 -0.138
230 3HB ALA 9 HB2 ALA 9 10.749 -0.002 -0.002
231 H LYS 10 HN LYS 10 7.606 -2.384 -2.384
232 HA LYS 10 HA LYS 10 8.362 -2.729 -2.729
233 1HB LYS 10 HB2 LYS 10 6.136 -2.283 -2.283
234 2HB LYS 10 HB1 LYS 10 5.917 -3.949 -3.949
235 1HG LYS 10 HG2 LYS 10 6.881 -2.314 -2.314
236 2HG LYS 10 HG1 LYS 10 5.377 -1.669 -1.669
237 1HD LYS 10 HD2 LYS 10 5.495 -4.607 -4.607
238 2HD LYS 10 HD1 LYS 10 5.433 -3.646 -3.646
239 1HE LYS 10 HE2 LYS 10 3.553 -2.726 -2.726
240 2HE LYS 10 HE1 LYS 10 3.212 -4.357 -4.357
241 1HZ LYS 10 HZ3 LYS 10 3.656 -3.363 -3.363
242 2HZ LYS 10 HZ2 LYS 10 3.503 -1.843 -1.843
243 3HZ LYS 10 HZ1 LYS 10 2.196 -2.928 -2.928
244 H LYS 11 HN LYS 11 7.058 -5.149 -5.149
245 HA LYS 11 HA LYS 11 7.535 -7.444 -7.444
246 1HB LYS 11 HB2 LYS 11 7.241 -6.709 -6.709
247 2HB LYS 11 HB1 LYS 11 7.973 -8.286 -8.286
248 1HG LYS 11 HG2 LYS 11 5.406 -7.390 -7.390
249 2HG LYS 11 HG1 LYS 11 5.437 -8.288 -8.288
250 1HD LYS 11 HD2 LYS 11 7.076 -9.858 -9.858
251 2HD LYS 11 HD1 LYS 11 6.091 -9.204 -9.204
252 1HE LYS 11 HE2 LYS 11 4.045 -9.983 -9.983
253 2HE LYS 11 HE1 LYS 11 4.955 -10.509 -10.509
254 1HZ LYS 11 HZ1 LYS 11 5.382 -11.492 -11.492
255 2HZ LYS 11 HZ3 LYS 11 4.595 -12.352 -12.352
256 3HZ LYS 11 HZ2 LYS 11 6.249 -11.989 -11.989
257 H LEU 12 HN LEU 12 9.861 -5.373 -5.373
258 HA LEU 12 HA LEU 12 11.970 -7.374 -7.374
259 1HB LEU 12 HB2 LEU 12 11.705 -4.439 -4.439
260 2HB LEU 12 HB1 LEU 12 13.271 -5.251 -5.251
261 HG LEU 12 HG LEU 12 10.792 -6.007 -6.007
262 1HD1 LEU 12 HD12 LEU 12 13.491 -4.906 -4.906
263 2HD1 LEU 12 HD11 LEU 12 12.207 -5.405 -5.405
264 3HD1 LEU 12 HD13 LEU 12 11.962 -4.028 -4.028
265 1HD2 LEU 12 HD22 LEU 12 13.257 -7.461 -7.461
266 2HD2 LEU 12 HD21 LEU 12 11.722 -8.077 -8.077
267 3HD2 LEU 12 HD23 LEU 12 12.917 -7.416 -7.416
268 H ILE 13 HN ILE 13 10.624 -5.616 -5.616
269 HA ILE 13 HA ILE 13 12.927 -6.128 -6.128
270 HB ILE 13 HB ILE 13 12.875 -3.575 -3.575
271 1HG1 ILE 13 HG12 ILE 13 12.619 -2.701 -2.701
272 2HG1 ILE 13 HG11 ILE 13 11.170 -3.636 -3.636
273 1HG2 ILE 13 HG22 ILE 13 14.641 -5.100 -5.100
274 2HG2 ILE 13 HG21 ILE 13 14.198 -4.033 -4.033
275 3HG2 ILE 13 HG23 ILE 13 14.861 -3.358 -3.358
276 1HD1 ILE 13 HD13 ILE 13 11.985 -1.868 -1.868
277 2HD1 ILE 13 HD12 ILE 13 11.563 -1.006 -1.006
278 3HD1 ILE 13 HD11 ILE 13 10.395 -2.094 -2.094
279 H GLU 14 HN GLU 14 10.408 -7.115 -7.115
280 HA GLU 14 HA GLU 14 9.390 -5.796 -5.796
281 1HB GLU 14 HB2 GLU 14 7.978 -6.901 -6.901
282 2HB GLU 14 HB1 GLU 14 7.131 -6.370 -6.370
283 1HG GLU 14 HG2 GLU 14 9.111 -4.538 -4.538
284 2HG GLU 14 HG1 GLU 14 7.525 -4.698 -4.698
285 1H CYS 1 HT2 CYS 1 24.294 -3.802 -3.802
286 2H CYS 1 HT1 CYS 1 25.728 -4.019 -4.019
287 3H CYS 1 HT3 CYS 1 25.315 -2.478 -2.478
288 HA CYS 1 HA CYS 1 24.569 -2.209 -2.209
289 1HB CYS 1 HB2 CYS 1 24.237 -5.216 -5.216
290 2HB CYS 1 HB1 CYS 1 23.806 -4.266 -4.266
291 H TYR 2 HN TYR 2 23.075 -1.551 -1.551
292 HA TYR 2 HA TYR 2 20.392 -1.986 -1.986
293 1HB TYR 2 HB2 TYR 2 21.444 -3.499 -3.499
294 2HB TYR 2 HB1 TYR 2 20.387 -2.298 -2.298
295 HD1 TYR 2 HD1 TYR 2 18.512 -1.793 -1.793
296 HD2 TYR 2 HD2 TYR 2 20.104 -5.471 -5.471
297 HE1 TYR 2 HE1 TYR 2 16.532 -2.979 -2.979
298 HE2 TYR 2 HE2 TYR 2 18.115 -6.674 -6.674
299 HH TYR 2 HH TYR 2 15.550 -5.863 -5.863
300 H LEU 3 HN LEU 3 19.276 -0.811 -0.811
301 HA LEU 3 HA LEU 3 18.920 1.339 1.339
302 1HB LEU 3 HB2 LEU 3 21.826 1.307 1.307
303 2HB LEU 3 HB1 LEU 3 21.075 2.665 2.665
304 HG LEU 3 HG LEU 3 20.864 1.538 1.538
305 1HD1 LEU 3 HD12 LEU 3 19.284 -0.175 -0.175
306 2HD1 LEU 3 HD11 LEU 3 20.722 -1.181 -1.181
307 3HD1 LEU 3 HD13 LEU 3 20.150 -0.672 -0.672
308 1HD2 LEU 3 HD21 LEU 3 22.957 -0.001 -0.001
309 2HD2 LEU 3 HD23 LEU 3 23.187 1.328 1.328
310 3HD2 LEU 3 HD22 LEU 3 22.660 -0.250 -0.250
311 H ARG 4 HN ARG 4 21.380 2.106 2.106
312 HA ARG 4 HA ARG 4 20.062 4.355 4.355
313 1HB ARG 4 HB2 ARG 4 21.581 3.946 3.946
314 2HB ARG 4 HB1 ARG 4 22.419 3.756 3.756
315 1HG ARG 4 HG2 ARG 4 23.119 1.820 1.820
316 2HG ARG 4 HG1 ARG 4 21.626 1.227 1.227
317 1HD ARG 4 HD2 ARG 4 20.569 1.052 1.052
318 2HD ARG 4 HD1 ARG 4 21.388 2.482 2.482
319 HE ARG 4 HE ARG 4 22.514 -0.262 -0.262
320 1HH1 ARG 4 HH11 ARG 4 22.291 1.394 1.394
321 2HH1 ARG 4 HH12 ARG 4 23.922 1.943 1.943
322 1HH2 ARG 4 HH21 ARG 4 24.864 1.173 1.173
323 2HH2 ARG 4 HH22 ARG 4 25.380 1.814 1.814
324 H ARG 5 HN ARG 5 19.825 0.918 0.918
325 HA ARG 5 HA ARG 5 17.981 1.363 1.363
326 1HB ARG 5 HB2 ARG 5 19.603 -0.473 -0.473
327 2HB ARG 5 HB1 ARG 5 18.805 -1.063 -1.063
328 1HG ARG 5 HG2 ARG 5 17.037 -0.662 -0.662
329 2HG ARG 5 HG1 ARG 5 18.239 -1.944 -1.944
330 1HD ARG 5 HD2 ARG 5 16.788 -3.236 -3.236
331 2HD ARG 5 HD1 ARG 5 17.334 -2.286 -2.286
332 HE ARG 5 HE ARG 5 15.467 -0.651 -0.651
333 1HH1 ARG 5 HH21 ARG 5 15.006 -1.912 -1.912
334 2HH1 ARG 5 HH22 ARG 5 13.551 -2.811 -2.811
335 1HH2 ARG 5 HH11 ARG 5 13.774 -2.662 -2.662
336 2HH2 ARG 5 HH12 ARG 5 12.854 -3.232 -3.232
337 H PHE 6 HN PHE 6 17.819 0.699 0.699
338 HA PHE 6 HA PHE 6 14.968 0.033 0.033
339 1HB PHE 6 HB2 PHE 6 16.085 -1.119 -1.119
340 2HB PHE 6 HB1 PHE 6 17.224 0.193 0.193
341 HD1 PHE 6 HD1 PHE 6 13.735 -0.887 -0.887
342 HD2 PHE 6 HD2 PHE 6 16.898 1.773 1.773
343 HE1 PHE 6 HE1 PHE 6 12.422 -0.161 -0.161
344 HE2 PHE 6 HE2 PHE 6 15.588 2.505 2.505
345 HZ PHE 6 HZ PHE 6 13.337 1.543 1.543
346 H PHE 7 HN PHE 7 16.901 2.659 2.659
347 HA PHE 7 HA PHE 7 14.625 4.198 4.198
348 1HB PHE 7 HB2 PHE 7 16.212 5.511 5.511
349 2HB PHE 7 HB1 PHE 7 17.277 4.172 4.172
350 HD1 PHE 7 HD1 PHE 7 15.869 7.296 7.296
351 HD2 PHE 7 HD2 PHE 7 19.231 4.643 4.643
352 HE1 PHE 7 HE1 PHE 7 17.239 8.828 8.828
353 HE2 PHE 7 HE2 PHE 7 20.593 6.172 6.172
354 HZ PHE 7 HZ PHE 7 19.601 8.265 8.265
355 H LYS 8 HN LYS 8 16.266 3.841 3.841
356 HA LYS 8 HA LYS 8 15.672 6.310 6.310
357 1HB LYS 8 HB2 LYS 8 16.447 3.622 3.622
358 2HB LYS 8 HB1 LYS 8 15.430 4.358 4.358
359 1HG LYS 8 HG2 LYS 8 16.936 6.397 6.397
360 2HG LYS 8 HG1 LYS 8 18.026 5.430 5.430
361 1HD LYS 8 HD2 LYS 8 17.465 3.780 3.780
362 2HD LYS 8 HD1 LYS 8 17.637 5.386 5.386
363 1HE LYS 8 HE2 LYS 8 19.682 4.882 4.882
364 2HE LYS 8 HE1 LYS 8 19.747 3.706 3.706
365 1HZ LYS 8 HZ2 LYS 8 19.577 5.568 5.568
366 2HZ LYS 8 HZ1 LYS 8 19.641 6.665 6.665
367 3HZ LYS 8 HZ3 LYS 8 20.977 5.676 5.676
368 H ALA 9 HN ALA 9 13.802 3.268 3.268
369 HA ALA 9 HA ALA 9 11.530 4.368 4.368
370 1HB ALA 9 HB1 ALA 9 12.438 1.886 1.886
371 2HB ALA 9 HB3 ALA 9 10.739 2.174 2.174
372 3HB ALA 9 HB2 ALA 9 11.276 2.120 2.120
373 H LYS 10 HN LYS 10 12.636 4.409 4.409
374 HA LYS 10 HA LYS 10 10.156 4.837 4.837
375 1HB LYS 10 HB2 LYS 10 12.717 4.270 4.270
376 2HB LYS 10 HB1 LYS 10 12.649 5.986 5.986
377 1HG LYS 10 HG2 LYS 10 11.830 5.252 5.252
378 2HG LYS 10 HG1 LYS 10 10.314 5.167 5.167
379 1HD LYS 10 HD2 LYS 10 11.473 2.773 2.773
380 2HD LYS 10 HD1 LYS 10 12.027 2.987 2.987
381 1HE LYS 10 HE2 LYS 10 9.765 3.201 3.201
382 2HE LYS 10 HE1 LYS 10 9.121 3.274 3.274
383 1HZ LYS 10 HZ2 LYS 10 10.603 1.050 1.050
384 2HZ LYS 10 HZ1 LYS 10 10.071 0.985 0.985
385 3HZ LYS 10 HZ3 LYS 10 8.941 1.056 1.056
386 H LYS 11 HN LYS 11 12.795 7.182 7.182
387 HA LYS 11 HA LYS 11 11.529 9.544 9.544
388 1HB LYS 11 HB2 LYS 11 13.398 8.797 8.797
389 2HB LYS 11 HB1 LYS 11 12.965 10.474 10.474
390 1HG LYS 11 HG2 LYS 11 13.875 8.811 8.811
391 2HG LYS 11 HG1 LYS 11 15.096 9.320 9.320
392 1HD LYS 11 HD2 LYS 11 13.262 11.486 11.486
393 2HD LYS 11 HD1 LYS 11 14.142 10.854 10.854
394 1HE LYS 11 HE2 LYS 11 15.966 12.015 12.015
395 2HE LYS 11 HE1 LYS 11 16.002 11.049 11.049
396 1HZ LYS 11 HZ2 LYS 11 14.083 13.271 13.271
397 2HZ LYS 11 HZ1 LYS 11 15.656 13.558 13.558
398 3HZ LYS 11 HZ3 LYS 11 14.611 12.536 12.536
399 H LEU 12 HN LEU 12 10.926 7.504 7.504
400 HA LEU 12 HA LEU 12 9.448 9.379 9.379
401 1HB LEU 12 HB2 LEU 12 9.506 6.358 6.358
402 2HB LEU 12 HB1 LEU 12 8.683 7.247 7.247
403 HG LEU 12 HG LEU 12 11.643 7.272 7.272
404 1HD1 LEU 12 HD11 LEU 12 10.713 5.384 5.384
405 2HD1 LEU 12 HD13 LEU 12 10.141 6.578 6.578
406 3HD1 LEU 12 HD12 LEU 12 11.870 6.389 6.389
407 1HD2 LEU 12 HD22 LEU 12 9.957 9.061 9.061
408 2HD2 LEU 12 HD21 LEU 12 11.138 9.533 9.533
409 3HD2 LEU 12 HD23 LEU 12 11.678 8.824 8.824
410 H ILE 13 HN ILE 13 8.658 7.748 7.748
411 HA ILE 13 HA ILE 13 5.849 8.647 8.647
412 HB ILE 13 HB ILE 13 5.252 6.329 6.329
413 1HG1 ILE 13 HG12 ILE 13 7.138 4.851 4.851
414 2HG1 ILE 13 HG11 ILE 13 8.083 6.022 6.022
415 1HG2 ILE 13 HG22 ILE 13 5.427 7.318 7.318
416 2HG2 ILE 13 HG21 ILE 13 5.923 5.627 5.627
417 3HG2 ILE 13 HG23 ILE 13 4.347 6.069 6.069
418 1HD1 ILE 13 HD13 ILE 13 5.870 4.720 4.720
419 2HD1 ILE 13 HD12 ILE 13 7.229 3.679 3.679
420 3HD1 ILE 13 HD11 ILE 13 7.499 5.129 5.129
421 H GLU 14 HN GLU 14 7.731 9.857 9.857
422 HA GLU 14 HA GLU 14 6.938 9.118 9.118
423 1HB GLU 14 HB2 GLU 14 9.512 10.154 10.154
424 2HB GLU 14 HB1 GLU 14 9.252 9.869 9.869
425 1HG GLU 14 HG2 GLU 14 8.491 7.614 7.614
426 2HG GLU 14 HG1 GLU 14 10.208 8.002 8.002
427 1H CYS 1 HT2 CYS 1 26.676 -2.964 -2.964
428 2H CYS 1 HT1 CYS 1 27.315 -4.399 -4.399
429 3H CYS 1 HT3 CYS 1 26.473 -4.435 -4.435
430 HA CYS 1 HA CYS 1 25.007 -5.271 -5.271
431 1HB CYS 1 HB2 CYS 1 26.249 -2.932 -2.932
432 2HB CYS 1 HB1 CYS 1 24.589 -3.338 -3.338
433 H TYR 2 HN TYR 2 25.217 -3.063 -3.063
434 HA TYR 2 HA TYR 2 22.405 -2.111 -2.111
435 1HB TYR 2 HB2 TYR 2 23.090 -0.068 -0.068
436 2HB TYR 2 HB1 TYR 2 24.599 -0.571 -0.571
437 HD1 TYR 2 HD1 TYR 2 22.695 -0.672 -0.672
438 HD2 TYR 2 HD2 TYR 2 26.529 -0.968 -0.968
439 HE1 TYR 2 HE1 TYR 2 23.775 -0.743 -0.743
440 HE2 TYR 2 HE2 TYR 2 27.622 -1.032 -1.032
441 HH TYR 2 HH TYR 2 26.523 -1.838 -1.838
442 H LEU 3 HN LEU 3 24.660 -3.916 -3.916
443 HA LEU 3 HA LEU 3 23.686 -3.995 -3.995
444 1HB LEU 3 HB2 LEU 3 25.006 -5.795 -5.795
445 2HB LEU 3 HB1 LEU 3 24.212 -6.617 -6.617
446 HG LEU 3 HG LEU 3 25.446 -5.254 -5.254
447 1HD1 LEU 3 HD11 LEU 3 26.082 -3.749 -3.749
448 2HD1 LEU 3 HD13 LEU 3 27.424 -3.944 -3.944
449 3HD1 LEU 3 HD12 LEU 3 25.928 -3.183 -3.183
450 1HD2 LEU 3 HD22 LEU 3 26.659 -7.058 -7.058
451 2HD2 LEU 3 HD21 LEU 3 26.997 -6.879 -6.879
452 3HD2 LEU 3 HD23 LEU 3 27.841 -5.870 -5.870
453 H ARG 4 HN ARG 4 22.725 -6.181 -6.181
454 HA ARG 4 HA ARG 4 20.501 -7.387 -7.387
455 1HB ARG 4 HB2 ARG 4 19.774 -7.693 -7.693
456 2HB ARG 4 HB1 ARG 4 21.518 -7.867 -7.867
457 1HG ARG 4 HG2 ARG 4 20.344 -5.169 -5.169
458 2HG ARG 4 HG1 ARG 4 20.455 -6.353 -6.353
459 1HD ARG 4 HD2 ARG 4 22.667 -4.967 -4.967
460 2HD ARG 4 HD1 ARG 4 22.505 -5.288 -5.288
461 HE ARG 4 HE ARG 4 23.752 -7.055 -7.055
462 1HH1 ARG 4 HH11 ARG 4 22.263 -6.729 -6.729
463 2HH1 ARG 4 HH12 ARG 4 22.367 -8.411 -8.411
464 1HH2 ARG 4 HH21 ARG 4 23.610 -9.346 -9.346
465 2HH2 ARG 4 HH22 ARG 4 23.131 -9.891 -9.891
466 H ARG 5 HN ARG 5 20.915 -4.106 -4.106
467 HA ARG 5 HA ARG 5 18.024 -3.523 -3.523
468 1HB ARG 5 HB2 ARG 5 18.621 -1.851 -1.851
469 2HB ARG 5 HB1 ARG 5 20.242 -2.538 -2.538
470 1HG ARG 5 HG2 ARG 5 20.616 -1.152 -1.152
471 2HG ARG 5 HG1 ARG 5 19.149 -0.286 -0.286
472 1HD ARG 5 HD2 ARG 5 21.382 -0.647 -0.647
473 2HD ARG 5 HD1 ARG 5 21.412 0.684 0.684
474 HE ARG 5 HE ARG 5 19.109 1.294 1.294
475 1HH1 ARG 5 HH21 ARG 5 20.095 -1.366 -1.366
476 2HH1 ARG 5 HH22 ARG 5 19.911 -0.652 -0.652
477 1HH2 ARG 5 HH11 ARG 5 19.385 2.549 2.549
478 2HH2 ARG 5 HH12 ARG 5 19.514 1.565 1.565
479 H PHE 6 HN PHE 6 20.915 -3.132 -3.132
480 HA PHE 6 HA PHE 6 19.640 -1.276 -1.276
481 1HB PHE 6 HB2 PHE 6 21.831 -0.796 -0.796
482 2HB PHE 6 HB1 PHE 6 22.250 -2.263 -2.263
483 HD1 PHE 6 HD1 PHE 6 23.006 -4.207 -4.207
484 HD2 PHE 6 HD2 PHE 6 21.553 -0.818 -0.818
485 HE1 PHE 6 HE1 PHE 6 23.899 -5.169 -5.169
486 HE2 PHE 6 HE2 PHE 6 22.442 -1.776 -1.776
487 HZ PHE 6 HZ PHE 6 23.622 -3.961 -3.961
488 H PHE 7 HN PHE 7 20.768 -4.682 -4.682
489 HA PHE 7 HA PHE 7 19.736 -5.063 -5.063
490 1HB PHE 7 HB2 PHE 7 20.898 -7.028 -7.028
491 2HB PHE 7 HB1 PHE 7 21.594 -6.240 -6.240
492 HD1 PHE 7 HD1 PHE 7 18.649 -8.350 -8.350
493 HD2 PHE 7 HD2 PHE 7 21.527 -7.336 -7.336
494 HE1 PHE 7 HE1 PHE 7 17.784 -10.181 -10.181
495 HE2 PHE 7 HE2 PHE 7 20.661 -9.167 -9.167
496 HZ PHE 7 HZ PHE 7 18.789 -10.589 -10.589
497 H LYS 8 HN LYS 8 18.391 -5.430 -5.430
498 HA LYS 8 HA LYS 8 16.248 -7.182 -7.182
499 1HB LYS 8 HB2 LYS 8 16.990 -5.205 -5.205
500 2HB LYS 8 HB1 LYS 8 15.270 -5.567 -5.567
501 1HG LYS 8 HG2 LYS 8 15.995 -8.049 -8.049
502 2HG LYS 8 HG1 LYS 8 17.558 -7.458 -7.458
503 1HD LYS 8 HD2 LYS 8 15.893 -6.107 -6.107
504 2HD LYS 8 HD1 LYS 8 14.963 -7.586 -7.586
505 1HE LYS 8 HE2 LYS 8 17.416 -8.669 -8.669
506 2HE LYS 8 HE1 LYS 8 17.562 -7.213 -7.213
507 1HZ LYS 8 HZ3 LYS 8 15.113 -8.857 -8.857
508 2HZ LYS 8 HZ2 LYS 8 16.459 -9.283 -9.283
509 3HZ LYS 8 HZ1 LYS 8 15.705 -7.776 -7.776
510 H ALA 9 HN ALA 9 16.417 -3.624 -3.624
511 HA ALA 9 HA ALA 9 13.745 -3.208 -3.208
512 1HB ALA 9 HB2 ALA 9 16.273 -1.673 -1.673
513 2HB ALA 9 HB1 ALA 9 15.072 -0.967 -0.967
514 3HB ALA 9 HB3 ALA 9 14.652 -1.315 -1.315
515 H LYS 10 HN LYS 10 16.805 -3.924 -3.924
516 HA LYS 10 HA LYS 10 16.309 -3.081 -3.081
517 1HB LYS 10 HB2 LYS 10 18.357 -4.083 -4.083
518 2HB LYS 10 HB1 LYS 10 17.783 -5.563 -5.563
519 1HG LYS 10 HG2 LYS 10 19.283 -4.765 -4.765
520 2HG LYS 10 HG1 LYS 10 17.741 -4.140 -4.140
521 1HD LYS 10 HD2 LYS 10 18.169 -1.992 -1.992
522 2HD LYS 10 HD1 LYS 10 19.689 -2.610 -2.610
523 1HE LYS 10 HE2 LYS 10 20.585 -1.676 -1.676
524 2HE LYS 10 HE1 LYS 10 19.978 -3.146 -3.146
525 1HZ LYS 10 HZ1 LYS 10 17.844 -2.017 -2.017
526 2HZ LYS 10 HZ3 LYS 10 18.487 -0.597 -0.597
527 3HZ LYS 10 HZ2 LYS 10 19.107 -1.206 -1.206
528 H LYS 11 HN LYS 11 16.130 -6.422 -6.422
529 HA LYS 11 HA LYS 11 14.937 -7.770 -7.770
530 1HB LYS 11 HB2 LYS 11 14.528 -7.798 -7.798
531 2HB LYS 11 HB1 LYS 11 13.611 -8.909 -8.909
532 1HG LYS 11 HG2 LYS 11 16.497 -8.767 -8.767
533 2HG LYS 11 HG1 LYS 11 16.111 -9.438 -9.438
534 1HD LYS 11 HD2 LYS 11 14.248 -10.583 -10.583
535 2HD LYS 11 HD1 LYS 11 15.801 -10.653 -10.653
536 1HE LYS 11 HE2 LYS 11 15.640 -11.463 -11.463
537 2HE LYS 11 HE1 LYS 11 15.164 -12.611 -12.611
538 1HZ LYS 11 HZ3 LYS 11 17.360 -11.679 -11.679
539 2HZ LYS 11 HZ2 LYS 11 17.780 -11.413 -11.413
540 3HZ LYS 11 HZ1 LYS 11 17.397 -12.980 -12.980
541 H LEU 12 HN LEU 12 13.329 -5.420 -5.420
542 HA LEU 12 HA LEU 12 10.649 -5.932 -5.932
543 1HB LEU 12 HB2 LEU 12 11.887 -3.347 -3.347
544 2HB LEU 12 HB1 LEU 12 10.202 -3.844 -3.844
545 HG LEU 12 HG LEU 12 12.635 -5.019 -5.019
546 1HD1 LEU 12 HD11 LEU 12 11.023 -3.015 -3.015
547 2HD1 LEU 12 HD13 LEU 12 10.080 -4.386 -4.386
548 3HD1 LEU 12 HD12 LEU 12 11.742 -4.163 -4.163
549 1HD2 LEU 12 HD22 LEU 12 11.217 -6.855 -6.855
550 2HD2 LEU 12 HD21 LEU 12 11.152 -6.777 -6.777
551 3HD2 LEU 12 HD23 LEU 12 9.816 -6.143 -6.143
552 H ILE 13 HN ILE 13 13.273 -4.347 -4.347
553 HA ILE 13 HA ILE 13 11.481 -3.559 -3.559
554 HB ILE 13 HB ILE 13 12.580 -1.306 -1.306
555 1HG1 ILE 13 HG12 ILE 13 13.412 -1.021 -1.021
556 2HG1 ILE 13 HG11 ILE 13 14.008 -2.628 -2.628
557 1HG2 ILE 13 HG21 ILE 13 10.349 -1.876 -1.876
558 2HG2 ILE 13 HG23 ILE 13 11.245 -1.911 -1.911
559 3HG2 ILE 13 HG22 ILE 13 11.160 -0.420 -0.420
560 1HD1 ILE 13 HD13 ILE 13 14.459 -0.725 -0.725
561 2HD1 ILE 13 HD12 ILE 13 15.244 -0.227 -0.227
562 3HD1 ILE 13 HD11 ILE 13 15.604 -1.805 -1.805
563 H GLU 14 HN GLU 14 14.640 -4.039 -4.039
564 HA GLU 14 HA GLU 14 16.693 -4.494 -4.494
565 1HB GLU 14 HB2 GLU 14 14.918 -5.893 -5.893
566 2HB GLU 14 HB1 GLU 14 16.430 -6.451 -6.451
567 1HG GLU 14 HG2 GLU 14 14.786 -6.112 -6.112
568 2HG GLU 14 HG1 GLU 14 13.685 -6.745 -6.745
Start of MODEL 6
1 1H CYS 1 HT2 CYS 1 0.700 3.391 3.391
2 2H CYS 1 HT1 CYS 1 0.268 5.030 5.030
3 3H CYS 1 HT3 CYS 1 0.585 4.348 4.348
4 HA CYS 1 HA CYS 1 2.556 5.500 5.500
5 1HB CYS 1 HB2 CYS 1 3.510 5.368 5.368
6 2HB CYS 1 HB1 CYS 1 1.907 6.115 6.115
7 H TYR 2 HN TYR 2 4.761 4.690 4.690
8 HA TYR 2 HA TYR 2 5.482 2.025 2.025
9 1HB TYR 2 HB2 TYR 2 4.972 0.853 0.853
10 2HB TYR 2 HB1 TYR 2 3.850 2.178 2.178
11 HD1 TYR 2 HD1 TYR 2 7.308 0.979 0.979
12 HD2 TYR 2 HD2 TYR 2 4.283 3.768 3.768
13 HE1 TYR 2 HE1 TYR 2 8.753 1.735 1.735
14 HE2 TYR 2 HE2 TYR 2 5.707 4.516 4.516
15 HH TYR 2 HH TYR 2 8.453 2.812 2.812
16 H LEU 3 HN LEU 3 5.900 4.682 4.682
17 HA LEU 3 HA LEU 3 8.592 4.509 4.509
18 1HB LEU 3 HB2 LEU 3 6.984 6.104 6.104
19 2HB LEU 3 HB1 LEU 3 6.877 6.876 6.876
20 HG LEU 3 HG LEU 3 9.555 6.714 6.714
21 1HD1 LEU 3 HD12 LEU 3 8.275 6.456 6.456
22 2HD1 LEU 3 HD11 LEU 3 8.724 8.162 8.162
23 3HD1 LEU 3 HD13 LEU 3 9.961 6.915 6.915
24 1HD2 LEU 3 HD23 LEU 3 7.530 8.684 8.684
25 2HD2 LEU 3 HD22 LEU 3 9.254 8.795 8.795
26 3HD2 LEU 3 HD21 LEU 3 8.646 9.288 9.288
27 H ARG 4 HN ARG 4 7.036 6.116 6.116
28 HA ARG 4 HA ARG 4 9.321 6.948 6.948
29 1HB ARG 4 HB2 ARG 4 6.839 5.685 5.685
30 2HB ARG 4 HB1 ARG 4 7.808 7.003 7.003
31 1HG ARG 4 HG2 ARG 4 6.282 8.386 8.386
32 2HG ARG 4 HG1 ARG 4 7.041 7.976 7.976
33 1HD ARG 4 HD2 ARG 4 5.435 5.889 5.889
34 2HD ARG 4 HD1 ARG 4 4.508 6.877 6.877
35 HE ARG 4 HE ARG 4 4.788 7.413 7.413
36 1HH1 ARG 4 HH21 ARG 4 2.843 8.191 8.191
37 2HH1 ARG 4 HH22 ARG 4 2.801 9.903 9.903
38 1HH2 ARG 4 HH11 ARG 4 5.434 9.892 9.892
39 2HH2 ARG 4 HH12 ARG 4 4.267 10.865 10.865
40 H ARG 5 HN ARG 5 7.714 3.834 3.834
41 HA ARG 5 HA ARG 5 9.254 2.371 2.371
42 1HB ARG 5 HB2 ARG 5 7.734 0.818 0.818
43 2HB ARG 5 HB1 ARG 5 7.106 1.982 1.982
44 1HG ARG 5 HG2 ARG 5 8.817 1.106 1.106
45 2HG ARG 5 HG1 ARG 5 9.173 -0.176 -0.176
46 1HD ARG 5 HD2 ARG 5 6.460 0.393 0.393
47 2HD ARG 5 HD1 ARG 5 7.514 -0.986 -0.986
48 HE ARG 5 HE ARG 5 6.449 -0.508 -0.508
49 1HH1 ARG 5 HH21 ARG 5 8.448 -2.655 -2.655
50 2HH1 ARG 5 HH22 ARG 5 7.479 -4.061 -4.061
51 1HH2 ARG 5 HH11 ARG 5 4.658 -2.256 -2.256
52 2HH2 ARG 5 HH12 ARG 5 5.334 -3.835 -3.835
53 H PHE 6 HN PHE 6 9.667 2.859 2.859
54 HA PHE 6 HA PHE 6 12.051 1.256 1.256
55 1HB PHE 6 HB2 PHE 6 11.241 1.567 1.567
56 2HB PHE 6 HB1 PHE 6 10.371 3.014 3.014
57 HD1 PHE 6 HD1 PHE 6 13.401 1.665 1.665
58 HD2 PHE 6 HD2 PHE 6 11.468 5.209 5.209
59 HE1 PHE 6 HE1 PHE 6 15.059 3.048 3.048
60 HE2 PHE 6 HE2 PHE 6 13.125 6.596 6.596
61 HZ PHE 6 HZ PHE 6 14.937 5.526 5.526
62 H PHE 7 HN PHE 7 11.519 4.780 4.780
63 HA PHE 7 HA PHE 7 14.155 5.675 5.675
64 1HB PHE 7 HB2 PHE 7 11.530 6.538 6.538
65 2HB PHE 7 HB1 PHE 7 12.904 7.378 7.378
66 HD1 PHE 7 HD1 PHE 7 14.861 7.774 7.774
67 HD2 PHE 7 HD2 PHE 7 10.630 7.589 7.589
68 HE1 PHE 7 HE1 PHE 7 15.163 9.057 9.057
69 HE2 PHE 7 HE2 PHE 7 10.931 8.885 8.885
70 HZ PHE 7 HZ PHE 7 13.199 9.621 9.621
71 H LYS 8 HN LYS 8 12.219 4.398 4.398
72 HA LYS 8 HA LYS 8 13.850 4.962 4.962
73 1HB LYS 8 HB2 LYS 8 11.782 3.125 3.125
74 2HB LYS 8 HB1 LYS 8 12.925 2.337 2.337
75 1HG LYS 8 HG2 LYS 8 12.358 3.664 3.664
76 2HG LYS 8 HG1 LYS 8 12.122 5.085 5.085
77 1HD LYS 8 HD2 LYS 8 9.983 4.294 4.294
78 2HD LYS 8 HD1 LYS 8 9.971 4.199 4.199
79 1HE LYS 8 HE2 LYS 8 9.085 2.100 2.100
80 2HE LYS 8 HE1 LYS 8 10.768 1.754 1.754
81 1HZ LYS 8 HZ3 LYS 8 10.402 2.769 2.769
82 2HZ LYS 8 HZ2 LYS 8 9.722 1.236 1.236
83 3HZ LYS 8 HZ1 LYS 8 11.376 1.496 1.496
84 H ALA 9 HN ALA 9 14.503 2.891 2.891
85 HA ALA 9 HA ALA 9 16.715 1.540 1.540
86 1HB ALA 9 HB1 ALA 9 14.874 0.579 0.579
87 2HB ALA 9 HB3 ALA 9 16.034 1.134 1.134
88 3HB ALA 9 HB2 ALA 9 16.518 -0.060 -0.060
89 H LYS 10 HN LYS 10 16.008 4.074 4.074
90 HA LYS 10 HA LYS 10 18.561 4.281 4.281
91 1HB LYS 10 HB2 LYS 10 16.049 5.208 5.208
92 2HB LYS 10 HB1 LYS 10 16.825 6.613 6.613
93 1HG LYS 10 HG2 LYS 10 17.241 6.938 6.938
94 2HG LYS 10 HG1 LYS 10 18.720 6.139 6.139
95 1HD LYS 10 HD2 LYS 10 17.621 3.937 3.937
96 2HD LYS 10 HD1 LYS 10 16.358 4.888 4.888
97 1HE LYS 10 HE2 LYS 10 18.378 6.090 6.090
98 2HE LYS 10 HE1 LYS 10 19.250 4.602 4.602
99 1HZ LYS 10 HZ3 LYS 10 17.034 3.518 3.518
100 2HZ LYS 10 HZ2 LYS 10 16.916 4.957 4.957
101 3HZ LYS 10 HZ1 LYS 10 18.262 3.939 3.939
102 H LYS 11 HN LYS 11 16.982 6.281 6.281
103 HA LYS 11 HA LYS 11 19.081 7.990 7.990
104 1HB LYS 11 HB2 LYS 11 16.629 7.046 7.046
105 2HB LYS 11 HB1 LYS 11 17.835 7.100 7.100
106 1HG LYS 11 HG2 LYS 11 17.461 9.404 9.404
107 2HG LYS 11 HG1 LYS 11 16.503 9.262 9.262
108 1HD LYS 11 HD2 LYS 11 18.556 9.195 9.195
109 2HD LYS 11 HD1 LYS 11 19.534 9.296 9.296
110 1HE LYS 11 HE2 LYS 11 18.759 11.518 11.518
111 2HE LYS 11 HE1 LYS 11 17.490 11.407 11.407
112 1HZ LYS 11 HZ2 LYS 11 19.530 10.799 10.799
113 2HZ LYS 11 HZ1 LYS 11 20.390 11.691 11.691
114 3HZ LYS 11 HZ3 LYS 11 19.128 12.423 12.423
115 H LEU 12 HN LEU 12 18.779 4.576 4.576
116 HA LEU 12 HA LEU 12 20.743 4.386 4.386
117 1HB LEU 12 HB2 LEU 12 19.829 2.342 2.342
118 2HB LEU 12 HB1 LEU 12 20.543 1.999 1.999
119 HG LEU 12 HG LEU 12 17.866 3.287 3.287
120 1HD1 LEU 12 HD13 LEU 12 18.245 0.725 0.725
121 2HD1 LEU 12 HD12 LEU 12 18.489 0.947 0.947
122 3HD1 LEU 12 HD11 LEU 12 16.948 1.386 1.386
123 1HD2 LEU 12 HD22 LEU 12 19.672 3.545 3.545
124 2HD2 LEU 12 HD21 LEU 12 18.277 4.526 4.526
125 3HD2 LEU 12 HD23 LEU 12 18.045 3.012 3.012
126 H ILE 13 HN ILE 13 21.021 4.852 4.852
127 HA ILE 13 HA ILE 13 23.958 4.560 4.560
128 HB ILE 13 HB ILE 13 23.782 3.318 3.318
129 1HG1 ILE 13 HG12 ILE 13 21.480 1.861 1.861
130 2HG1 ILE 13 HG11 ILE 13 20.994 3.543 3.543
131 1HG2 ILE 13 HG21 ILE 13 23.862 2.464 2.464
132 2HG2 ILE 13 HG23 ILE 13 22.852 1.324 1.324
133 3HG2 ILE 13 HG22 ILE 13 24.505 1.636 1.636
134 1HD1 ILE 13 HD11 ILE 13 22.547 2.510 2.510
135 2HD1 ILE 13 HD13 ILE 13 20.784 2.546 2.546
136 3HD1 ILE 13 HD12 ILE 13 21.699 4.049 4.049
137 H GLU 14 HN GLU 14 22.655 6.935 6.935
138 HA GLU 14 HA GLU 14 23.297 7.851 7.851
139 1HB GLU 14 HB2 GLU 14 21.008 8.489 8.489
140 2HB GLU 14 HB1 GLU 14 21.292 9.334 9.334
141 1HG GLU 14 HG2 GLU 14 21.255 6.358 6.358
142 2HG GLU 14 HG1 GLU 14 19.712 7.177 7.177
143 1H CYS 1 HT2 CYS 1 0.484 5.747 5.747
144 2H CYS 1 HT1 CYS 1 -0.659 5.043 5.043
145 3H CYS 1 HT3 CYS 1 0.112 4.093 4.093
146 HA CYS 1 HA CYS 1 1.185 3.574 3.574
147 1HB CYS 1 HB2 CYS 1 0.592 6.439 6.439
148 2HB CYS 1 HB1 CYS 1 2.160 5.954 5.954
149 H TYR 2 HN TYR 2 1.841 4.839 4.839
150 HA TYR 2 HA TYR 2 4.791 4.921 4.921
151 1HB TYR 2 HB2 TYR 2 4.895 6.596 6.596
152 2HB TYR 2 HB1 TYR 2 3.282 6.903 6.903
153 HD1 TYR 2 HD1 TYR 2 5.133 5.068 5.068
154 HD2 TYR 2 HD2 TYR 2 1.366 6.670 6.670
155 HE1 TYR 2 HE1 TYR 2 4.165 4.524 4.524
156 HE2 TYR 2 HE2 TYR 2 0.386 6.138 6.138
157 HH TYR 2 HH TYR 2 0.932 4.393 4.393
158 H LEU 3 HN LEU 3 2.123 3.428 3.428
159 HA LEU 3 HA LEU 3 3.197 2.127 2.127
160 1HB LEU 3 HB2 LEU 3 1.167 1.606 1.606
161 2HB LEU 3 HB1 LEU 3 1.677 0.185 0.185
162 HG LEU 3 HG LEU 3 1.195 1.354 1.354
163 1HD1 LEU 3 HD12 LEU 3 1.698 3.637 3.637
164 2HD1 LEU 3 HD11 LEU 3 0.074 3.593 3.593
165 3HD1 LEU 3 HD13 LEU 3 0.292 3.565 3.565
166 1HD2 LEU 3 HD22 LEU 3 -0.599 0.093 0.093
167 2HD2 LEU 3 HD21 LEU 3 -1.204 1.296 1.296
168 3HD2 LEU 3 HD23 LEU 3 -1.161 1.659 1.659
169 H ARG 4 HN ARG 4 3.080 0.740 0.740
170 HA ARG 4 HA ARG 4 4.766 -1.442 -1.442
171 1HB ARG 4 HB2 ARG 4 5.258 -1.098 -1.098
172 2HB ARG 4 HB1 ARG 4 3.564 -0.777 -0.777
173 1HG ARG 4 HG2 ARG 4 5.537 1.481 1.481
174 2HG ARG 4 HG1 ARG 4 4.975 0.920 0.920
175 1HD ARG 4 HD2 ARG 4 3.428 2.272 2.272
176 2HD ARG 4 HD1 ARG 4 3.386 2.554 2.554
177 HE ARG 4 HE ARG 4 1.722 0.676 0.676
178 1HH1 ARG 4 HH21 ARG 4 2.620 1.829 1.829
179 2HH1 ARG 4 HH22 ARG 4 2.132 0.421 0.421
180 1HH2 ARG 4 HH11 ARG 4 1.519 -1.472 -1.472
181 2HH2 ARG 4 HH12 ARG 4 1.506 -1.448 -1.448
182 H ARG 5 HN ARG 5 5.557 1.975 1.975
183 HA ARG 5 HA ARG 5 8.460 1.486 1.486
184 1HB ARG 5 HB2 ARG 5 8.467 3.666 3.666
185 2HB ARG 5 HB1 ARG 5 6.711 3.578 3.578
186 1HG ARG 5 HG2 ARG 5 6.929 4.105 4.105
187 2HG ARG 5 HG1 ARG 5 8.582 4.581 4.581
188 1HD ARG 5 HD2 ARG 5 6.291 5.685 5.685
189 2HD ARG 5 HD1 ARG 5 6.732 6.421 6.421
190 HE ARG 5 HE ARG 5 9.167 6.166 6.166
191 1HH1 ARG 5 HH11 ARG 5 7.053 6.312 6.312
192 2HH1 ARG 5 HH12 ARG 5 7.298 7.961 7.961
193 1HH2 ARG 5 HH21 ARG 5 9.086 8.788 8.788
194 2HH2 ARG 5 HH22 ARG 5 8.449 9.361 9.361
195 H PHE 6 HN PHE 6 6.038 2.289 2.289
196 HA PHE 6 HA PHE 6 8.036 2.496 2.496
197 1HB PHE 6 HB2 PHE 6 6.211 3.900 3.900
198 2HB PHE 6 HB1 PHE 6 5.087 2.698 2.698
199 HD1 PHE 6 HD1 PHE 6 7.146 3.701 3.701
200 HD2 PHE 6 HD2 PHE 6 4.112 1.057 1.057
201 HE1 PHE 6 HE1 PHE 6 6.646 3.001 3.001
202 HE2 PHE 6 HE2 PHE 6 3.607 0.350 0.350
203 HZ PHE 6 HZ PHE 6 4.871 1.318 1.318
204 H PHE 7 HN PHE 7 5.372 0.262 0.262
205 HA PHE 7 HA PHE 7 5.759 -1.641 -1.641
206 1HB PHE 7 HB2 PHE 7 4.376 -1.308 -1.308
207 2HB PHE 7 HB1 PHE 7 5.018 -2.948 -2.948
208 HD1 PHE 7 HD1 PHE 7 2.152 -1.222 -1.222
209 HD2 PHE 7 HD2 PHE 7 4.938 -3.736 -3.736
210 HE1 PHE 7 HE1 PHE 7 0.387 -1.824 -1.824
211 HE2 PHE 7 HE2 PHE 7 3.181 -4.336 -4.336
212 HZ PHE 7 HZ PHE 7 0.899 -3.383 -3.383
213 H LYS 8 HN LYS 8 7.324 -1.384 -1.384
214 HA LYS 8 HA LYS 8 8.759 -3.762 -3.762
215 1HB LYS 8 HB2 LYS 8 8.796 -1.178 -1.178
216 2HB LYS 8 HB1 LYS 8 10.455 -1.636 -1.636
217 1HG LYS 8 HG2 LYS 8 9.929 -3.883 -3.883
218 2HG LYS 8 HG1 LYS 8 8.449 -3.134 -3.134
219 1HD LYS 8 HD2 LYS 8 10.941 -1.588 -1.588
220 2HD LYS 8 HD1 LYS 8 10.790 -3.081 -3.081
221 1HE LYS 8 HE2 LYS 8 8.284 -2.042 -2.042
222 2HE LYS 8 HE1 LYS 8 9.256 -0.560 -0.560
223 1HZ LYS 8 HZ1 LYS 8 10.839 -2.084 -2.084
224 2HZ LYS 8 HZ3 LYS 8 9.340 -2.722 -2.722
225 3HZ LYS 8 HZ2 LYS 8 9.659 -1.066 -1.066
226 H ALA 9 HN ALA 9 9.153 -1.062 -1.062
227 HA ALA 9 HA ALA 9 11.785 -1.940 -1.940
228 1HB ALA 9 HB1 ALA 9 10.137 0.439 0.439
229 2HB ALA 9 HB3 ALA 9 10.674 0.067 0.067
230 3HB ALA 9 HB2 ALA 9 11.859 0.297 0.297
231 H LYS 10 HN LYS 10 8.417 -2.158 -2.158
232 HA LYS 10 HA LYS 10 8.548 -2.865 -2.865
233 1HB LYS 10 HB2 LYS 10 6.673 -2.229 -2.229
234 2HB LYS 10 HB1 LYS 10 6.507 -3.977 -3.977
235 1HG LYS 10 HG2 LYS 10 5.056 -3.447 -3.447
236 2HG LYS 10 HG1 LYS 10 6.553 -3.627 -3.627
237 1HD LYS 10 HD2 LYS 10 6.288 -0.949 -0.949
238 2HD LYS 10 HD1 LYS 10 4.924 -1.358 -1.358
239 1HE LYS 10 HE2 LYS 10 7.725 -1.968 -1.968
240 2HE LYS 10 HE1 LYS 10 7.069 -0.329 -0.329
241 1HZ LYS 10 HZ3 LYS 10 5.400 -2.629 -2.629
242 2HZ LYS 10 HZ2 LYS 10 6.608 -2.116 -2.116
243 3HZ LYS 10 HZ1 LYS 10 5.378 -1.044 -1.044
244 H LYS 11 HN LYS 11 7.933 -4.986 -4.986
245 HA LYS 11 HA LYS 11 8.166 -7.468 -7.468
246 1HB LYS 11 HB2 LYS 11 9.042 -6.417 -6.417
247 2HB LYS 11 HB1 LYS 11 9.100 -8.137 -8.137
248 1HG LYS 11 HG2 LYS 11 6.640 -6.362 -6.362
249 2HG LYS 11 HG1 LYS 11 6.983 -7.630 -7.630
250 1HD LYS 11 HD2 LYS 11 7.118 -9.238 -9.238
251 2HD LYS 11 HD1 LYS 11 6.396 -7.945 -7.945
252 1HE LYS 11 HE2 LYS 11 4.590 -7.868 -7.868
253 2HE LYS 11 HE1 LYS 11 5.186 -9.492 -9.492
254 1HZ LYS 11 HZ3 LYS 11 5.070 -9.728 -9.728
255 2HZ LYS 11 HZ2 LYS 11 3.867 -8.540 -8.540
256 3HZ LYS 11 HZ1 LYS 11 3.713 -10.030 -10.030
257 H LEU 12 HN LEU 12 10.762 -5.262 -5.262
258 HA LEU 12 HA LEU 12 12.934 -7.074 -7.074
259 1HB LEU 12 HB2 LEU 12 12.592 -4.086 -4.086
260 2HB LEU 12 HB1 LEU 12 14.177 -4.814 -4.814
261 HG LEU 12 HG LEU 12 12.307 -5.387 -5.387
262 1HD1 LEU 12 HD11 LEU 12 14.999 -4.003 -4.003
263 2HD1 LEU 12 HD13 LEU 12 14.170 -4.399 -4.399
264 3HD1 LEU 12 HD12 LEU 12 13.456 -3.241 -3.241
265 1HD2 LEU 12 HD23 LEU 12 14.761 -6.725 -6.725
266 2HD2 LEU 12 HD22 LEU 12 13.379 -7.420 -7.420
267 3HD2 LEU 12 HD21 LEU 12 14.622 -6.552 -6.552
268 H ILE 13 HN ILE 13 10.797 -5.672 -5.672
269 HA ILE 13 HA ILE 13 12.664 -6.259 -6.259
270 HB ILE 13 HB ILE 13 11.784 -4.022 -4.022
271 1HG1 ILE 13 HG12 ILE 13 11.783 -2.554 -2.554
272 2HG1 ILE 13 HG11 ILE 13 10.712 -3.907 -3.907
273 1HG2 ILE 13 HG23 ILE 13 14.126 -4.713 -4.713
274 2HG2 ILE 13 HG22 ILE 13 13.652 -3.528 -3.528
275 3HG2 ILE 13 HG21 ILE 13 13.794 -3.046 -3.046
276 1HD1 ILE 13 HD13 ILE 13 10.461 -2.458 -2.458
277 2HD1 ILE 13 HD12 ILE 13 9.763 -1.741 -1.741
278 3HD1 ILE 13 HD11 ILE 13 9.230 -3.333 -3.333
279 H GLU 14 HN GLU 14 10.546 -7.789 -7.789
280 HA GLU 14 HA GLU 14 8.601 -7.365 -7.365
281 1HB GLU 14 HB2 GLU 14 8.277 -8.231 -8.231
282 2HB GLU 14 HB1 GLU 14 6.958 -8.255 -8.255
283 1HG GLU 14 HG2 GLU 14 8.523 -5.746 -5.746
284 2HG GLU 14 HG1 GLU 14 7.461 -6.123 -6.123
285 1H CYS 1 HT3 CYS 1 23.119 -5.213 -5.213
286 2H CYS 1 HT2 CYS 1 24.778 -4.850 -4.850
287 3H CYS 1 HT1 CYS 1 23.664 -3.685 -3.685
288 HA CYS 1 HA CYS 1 24.054 -2.956 -2.956
289 1HB CYS 1 HB2 CYS 1 24.418 -5.919 -5.919
290 2HB CYS 1 HB1 CYS 1 24.123 -4.909 -4.909
291 H TYR 2 HN TYR 2 21.745 -2.842 -2.842
292 HA TYR 2 HA TYR 2 19.847 -2.955 -2.955
293 1HB TYR 2 HB2 TYR 2 18.791 -4.950 -4.950
294 2HB TYR 2 HB1 TYR 2 20.303 -5.383 -5.383
295 HD1 TYR 2 HD1 TYR 2 20.343 -5.883 -5.883
296 HD2 TYR 2 HD2 TYR 2 16.999 -3.789 -3.789
297 HE1 TYR 2 HE1 TYR 2 19.164 -6.054 -6.054
298 HE2 TYR 2 HE2 TYR 2 15.806 -3.950 -3.950
299 HH TYR 2 HH TYR 2 17.385 -5.036 -5.036
300 H LEU 3 HN LEU 3 20.531 -2.672 -2.672
301 HA LEU 3 HA LEU 3 18.235 -1.499 -1.499
302 1HB LEU 3 HB2 LEU 3 21.141 -1.264 -1.264
303 2HB LEU 3 HB1 LEU 3 20.216 0.059 0.059
304 HG LEU 3 HG LEU 3 18.858 -1.603 -1.603
305 1HD1 LEU 3 HD11 LEU 3 19.552 -3.403 -3.403
306 2HD1 LEU 3 HD13 LEU 3 20.884 -3.694 -3.694
307 3HD1 LEU 3 HD12 LEU 3 19.218 -3.896 -3.896
308 1HD2 LEU 3 HD23 LEU 3 21.500 -0.809 -0.809
309 2HD2 LEU 3 HD22 LEU 3 20.328 -1.391 -1.391
310 3HD2 LEU 3 HD21 LEU 3 21.436 -2.523 -2.523
311 H ARG 4 HN ARG 4 20.580 -0.302 -0.302
312 HA ARG 4 HA ARG 4 19.840 2.453 2.453
313 1HB ARG 4 HB2 ARG 4 20.830 0.706 0.706
314 2HB ARG 4 HB1 ARG 4 21.184 2.406 2.406
315 1HG ARG 4 HG2 ARG 4 23.088 1.717 1.717
316 2HG ARG 4 HG1 ARG 4 22.067 1.214 1.214
317 1HD ARG 4 HD2 ARG 4 23.736 -0.512 -0.512
318 2HD ARG 4 HD1 ARG 4 22.126 -1.059 -1.059
319 HE ARG 4 HE ARG 4 21.635 -1.344 -1.344
320 1HH1 ARG 4 HH11 ARG 4 24.502 0.495 0.495
321 2HH1 ARG 4 HH12 ARG 4 24.622 0.945 0.945
322 1HH2 ARG 4 HH21 ARG 4 21.635 -0.567 -0.567
323 2HH2 ARG 4 HH22 ARG 4 23.000 0.343 0.343
324 H ARG 5 HN ARG 5 18.902 -0.431 -0.431
325 HA ARG 5 HA ARG 5 16.884 0.968 0.968
326 1HB ARG 5 HB2 ARG 5 16.656 -1.091 -1.091
327 2HB ARG 5 HB1 ARG 5 18.226 -1.347 -1.347
328 1HG ARG 5 HG2 ARG 5 16.679 -2.135 -2.135
329 2HG ARG 5 HG1 ARG 5 15.548 -2.457 -2.457
330 1HD ARG 5 HD2 ARG 5 18.405 -3.435 -3.435
331 2HD ARG 5 HD1 ARG 5 17.125 -4.392 -4.392
332 HE ARG 5 HE ARG 5 16.123 -4.695 -4.695
333 1HH1 ARG 5 HH21 ARG 5 19.227 -3.904 -3.904
334 2HH1 ARG 5 HH22 ARG 5 19.002 -3.068 -3.068
335 1HH2 ARG 5 HH11 ARG 5 15.549 -2.933 -2.933
336 2HH2 ARG 5 HH12 ARG 5 16.921 -2.518 -2.518
337 H PHE 6 HN PHE 6 16.981 -0.199 -0.199
338 HA PHE 6 HA PHE 6 14.064 -0.578 -0.578
339 1HB PHE 6 HB2 PHE 6 15.046 -2.158 -2.158
340 2HB PHE 6 HB1 PHE 6 16.493 -1.193 -1.193
341 HD1 PHE 6 HD1 PHE 6 16.902 -0.876 -0.876
342 HD2 PHE 6 HD2 PHE 6 12.886 -0.646 -0.646
343 HE1 PHE 6 HE1 PHE 6 16.118 -0.276 -0.276
344 HE2 PHE 6 HE2 PHE 6 12.093 -0.043 -0.043
345 HZ PHE 6 HZ PHE 6 13.705 0.149 0.149
346 H PHE 7 HN PHE 7 16.430 1.340 1.340
347 HA PHE 7 HA PHE 7 14.453 3.039 3.039
348 1HB PHE 7 HB2 PHE 7 16.259 4.020 4.020
349 2HB PHE 7 HB1 PHE 7 17.002 2.515 2.515
350 HD1 PHE 7 HD1 PHE 7 16.384 6.019 6.019
351 HD2 PHE 7 HD2 PHE 7 18.973 2.590 2.590
352 HE1 PHE 7 HE1 PHE 7 18.072 7.306 7.306
353 HE2 PHE 7 HE2 PHE 7 20.658 3.875 3.875
354 HZ PHE 7 HZ PHE 7 20.211 6.236 6.236
355 H LYS 8 HN LYS 8 16.025 3.114 3.114
356 HA LYS 8 HA LYS 8 15.746 5.826 5.826
357 1HB LYS 8 HB2 LYS 8 15.972 3.249 3.249
358 2HB LYS 8 HB1 LYS 8 15.163 4.473 4.473
359 1HG LYS 8 HG2 LYS 8 17.138 6.009 6.009
360 2HG LYS 8 HG1 LYS 8 17.955 4.487 4.487
361 1HD LYS 8 HD2 LYS 8 16.720 4.242 4.242
362 2HD LYS 8 HD1 LYS 8 17.621 5.759 5.759
363 1HE LYS 8 HE2 LYS 8 19.669 4.655 4.655
364 2HE LYS 8 HE1 LYS 8 18.828 3.148 3.148
365 1HZ LYS 8 HZ3 LYS 8 18.274 4.219 4.219
366 2HZ LYS 8 HZ2 LYS 8 19.854 3.637 3.637
367 3HZ LYS 8 HZ1 LYS 8 18.524 2.613 2.613
368 H ALA 9 HN ALA 9 13.437 3.167 3.167
369 HA ALA 9 HA ALA 9 11.291 4.709 4.709
370 1HB ALA 9 HB3 ALA 9 11.718 2.152 2.152
371 2HB ALA 9 HB2 ALA 9 11.001 2.282 2.282
372 3HB ALA 9 HB1 ALA 9 10.055 2.714 2.714
373 H LYS 10 HN LYS 10 12.384 4.100 4.100
374 HA LYS 10 HA LYS 10 10.096 4.968 4.968
375 1HB LYS 10 HB2 LYS 10 12.494 3.828 3.828
376 2HB LYS 10 HB1 LYS 10 12.780 5.467 5.467
377 1HG LYS 10 HG2 LYS 10 10.193 4.489 4.489
378 2HG LYS 10 HG1 LYS 10 11.506 3.448 3.448
379 1HD LYS 10 HD2 LYS 10 11.769 6.421 6.421
380 2HD LYS 10 HD1 LYS 10 10.850 5.541 5.541
381 1HE LYS 10 HE2 LYS 10 12.863 4.024 4.024
382 2HE LYS 10 HE1 LYS 10 13.766 5.151 5.151
383 1HZ LYS 10 HZ3 LYS 10 12.194 6.061 6.061
384 2HZ LYS 10 HZ2 LYS 10 13.830 5.620 5.620
385 3HZ LYS 10 HZ1 LYS 10 13.374 6.919 6.919
386 H LYS 11 HN LYS 11 13.167 6.746 6.746
387 HA LYS 11 HA LYS 11 12.391 9.259 9.259
388 1HB LYS 11 HB2 LYS 11 14.173 8.320 8.320
389 2HB LYS 11 HB1 LYS 11 14.063 10.025 10.025
390 1HG LYS 11 HG2 LYS 11 14.884 7.754 7.754
391 2HG LYS 11 HG1 LYS 11 15.938 9.015 9.015
392 1HD LYS 11 HD2 LYS 11 15.452 10.193 10.193
393 2HD LYS 11 HD1 LYS 11 13.846 10.433 10.433
394 1HE LYS 11 HE2 LYS 11 13.159 8.231 8.231
395 2HE LYS 11 HE1 LYS 11 14.710 8.249 8.249
396 1HZ LYS 11 HZ3 LYS 11 14.084 10.626 10.626
397 2HZ LYS 11 HZ2 LYS 11 12.503 10.214 10.214
398 3HZ LYS 11 HZ1 LYS 11 13.263 9.381 9.381
399 H LEU 12 HN LEU 12 11.662 7.728 7.728
400 HA LEU 12 HA LEU 12 10.629 9.985 9.985
401 1HB LEU 12 HB2 LEU 12 10.124 7.009 7.009
402 2HB LEU 12 HB1 LEU 12 9.440 8.138 8.138
403 HG LEU 12 HG LEU 12 12.380 7.673 7.673
404 1HD1 LEU 12 HD13 LEU 12 10.638 6.339 6.339
405 2HD1 LEU 12 HD12 LEU 12 11.363 7.545 7.545
406 3HD1 LEU 12 HD11 LEU 12 12.391 6.406 6.406
407 1HD2 LEU 12 HD21 LEU 12 10.929 9.949 9.949
408 2HD2 LEU 12 HD23 LEU 12 12.578 9.869 9.869
409 3HD2 LEU 12 HD22 LEU 12 12.224 9.315 9.315
410 H ILE 13 HN ILE 13 9.380 8.302 8.302
411 HA ILE 13 HA ILE 13 6.833 9.786 9.786
412 HB ILE 13 HB ILE 13 5.713 7.585 7.585
413 1HG1 ILE 13 HG12 ILE 13 7.265 5.790 5.790
414 2HG1 ILE 13 HG11 ILE 13 8.460 6.719 6.719
415 1HG2 ILE 13 HG21 ILE 13 6.200 8.716 8.716
416 2HG2 ILE 13 HG23 ILE 13 6.449 6.980 6.980
417 3HG2 ILE 13 HG22 ILE 13 4.915 7.588 7.588
418 1HD1 ILE 13 HD12 ILE 13 6.012 5.411 5.411
419 2HD1 ILE 13 HD11 ILE 13 7.655 4.777 4.777
420 3HD1 ILE 13 HD13 ILE 13 7.252 6.304 6.304
421 H GLU 14 HN GLU 14 8.918 10.400 10.400
422 HA GLU 14 HA GLU 14 7.828 9.748 9.748
423 1HB GLU 14 HB2 GLU 14 10.642 9.970 9.970
424 2HB GLU 14 HB1 GLU 14 10.247 9.747 9.747
425 1HG GLU 14 HG2 GLU 14 8.993 7.895 7.895
426 2HG GLU 14 HG1 GLU 14 10.706 7.672 7.672
427 1H CYS 1 HT2 CYS 1 28.751 -2.079 -2.079
428 2H CYS 1 HT1 CYS 1 28.878 -3.444 -3.444
429 3H CYS 1 HT3 CYS 1 29.633 -3.435 -3.435
430 HA CYS 1 HA CYS 1 27.806 -4.378 -4.378
431 1HB CYS 1 HB2 CYS 1 25.921 -4.835 -4.835
432 2HB CYS 1 HB1 CYS 1 27.454 -5.208 -5.208
433 H TYR 2 HN TYR 2 25.892 -3.879 -3.879
434 HA TYR 2 HA TYR 2 24.259 -1.597 -1.597
435 1HB TYR 2 HB2 TYR 2 25.384 0.080 0.080
436 2HB TYR 2 HB1 TYR 2 26.813 -0.886 -0.886
437 HD1 TYR 2 HD1 TYR 2 24.219 -0.242 -0.242
438 HD2 TYR 2 HD2 TYR 2 27.942 -2.171 -2.171
439 HE1 TYR 2 HE1 TYR 2 24.454 -0.827 -0.827
440 HE2 TYR 2 HE2 TYR 2 28.213 -2.739 -2.739
441 HH TYR 2 HH TYR 2 27.367 -1.830 -1.830
442 H LEU 3 HN LEU 3 25.944 -3.680 -3.680
443 HA LEU 3 HA LEU 3 24.204 -3.820 -3.820
444 1HB LEU 3 HB2 LEU 3 26.464 -4.971 -4.971
445 2HB LEU 3 HB1 LEU 3 25.400 -6.237 -6.237
446 HG LEU 3 HG LEU 3 24.469 -5.372 -5.372
447 1HD1 LEU 3 HD13 LEU 3 26.958 -4.746 -4.746
448 2HD1 LEU 3 HD12 LEU 3 27.260 -6.484 -6.484
449 3HD1 LEU 3 HD11 LEU 3 26.292 -5.771 -5.771
450 1HD2 LEU 3 HD21 LEU 3 24.560 -7.649 -7.649
451 2HD2 LEU 3 HD23 LEU 3 24.136 -7.614 -7.614
452 3HD2 LEU 3 HD22 LEU 3 25.787 -7.999 -7.999
453 H ARG 4 HN ARG 4 24.174 -5.761 -5.761
454 HA ARG 4 HA ARG 4 21.839 -7.255 -7.255
455 1HB ARG 4 HB2 ARG 4 22.614 -5.765 -5.765
456 2HB ARG 4 HB1 ARG 4 21.814 -7.332 -7.332
457 1HG ARG 4 HG2 ARG 4 23.890 -8.213 -8.213
458 2HG ARG 4 HG1 ARG 4 24.126 -7.737 -7.737
459 1HD ARG 4 HD2 ARG 4 24.740 -5.381 -5.381
460 2HD ARG 4 HD1 ARG 4 25.140 -6.427 -6.427
461 HE ARG 4 HE ARG 4 26.684 -6.253 -6.253
462 1HH1 ARG 4 HH11 ARG 4 26.582 -7.851 -7.851
463 2HH1 ARG 4 HH12 ARG 4 27.214 -9.358 -9.358
464 1HH2 ARG 4 HH21 ARG 4 26.948 -8.495 -8.495
465 2HH2 ARG 4 HH22 ARG 4 27.420 -9.723 -9.723
466 H ARG 5 HN ARG 5 22.341 -3.871 -3.871
467 HA ARG 5 HA ARG 5 19.457 -3.319 -3.319
468 1HB ARG 5 HB2 ARG 5 20.238 -1.483 -1.483
469 2HB ARG 5 HB1 ARG 5 21.816 -2.248 -2.248
470 1HG ARG 5 HG2 ARG 5 21.778 -1.059 -1.059
471 2HG ARG 5 HG1 ARG 5 20.675 0.025 0.025
472 1HD ARG 5 HD2 ARG 5 22.833 -0.436 -0.436
473 2HD ARG 5 HD1 ARG 5 23.544 -0.095 -0.095
474 HE ARG 5 HE ARG 5 21.317 1.670 1.670
475 1HH1 ARG 5 HH21 ARG 5 24.470 1.219 1.219
476 2HH1 ARG 5 HH22 ARG 5 25.011 2.821 2.821
477 1HH2 ARG 5 HH11 ARG 5 22.108 3.698 3.698
478 2HH2 ARG 5 HH12 ARG 5 23.673 4.227 4.227
479 H PHE 6 HN PHE 6 21.946 -3.053 -3.053
480 HA PHE 6 HA PHE 6 20.307 -1.390 -1.390
481 1HB PHE 6 HB2 PHE 6 22.464 -0.901 -0.901
482 2HB PHE 6 HB1 PHE 6 23.023 -2.418 -2.418
483 HD1 PHE 6 HD1 PHE 6 22.210 -0.613 -0.613
484 HD2 PHE 6 HD2 PHE 6 22.909 -4.506 -4.506
485 HE1 PHE 6 HE1 PHE 6 22.591 -1.492 -1.492
486 HE2 PHE 6 HE2 PHE 6 23.295 -5.396 -5.396
487 HZ PHE 6 HZ PHE 6 23.134 -3.894 -3.894
488 H PHE 7 HN PHE 7 21.405 -4.804 -4.804
489 HA PHE 7 HA PHE 7 20.075 -5.476 -5.476
490 1HB PHE 7 HB2 PHE 7 21.126 -7.476 -7.476
491 2HB PHE 7 HB1 PHE 7 21.975 -6.576 -6.576
492 HD1 PHE 7 HD1 PHE 7 21.932 -7.361 -7.361
493 HD2 PHE 7 HD2 PHE 7 18.862 -8.591 -8.591
494 HE1 PHE 7 HE1 PHE 7 21.020 -8.921 -8.921
495 HE2 PHE 7 HE2 PHE 7 17.952 -10.144 -10.144
496 HZ PHE 7 HZ PHE 7 19.034 -10.310 -10.310
497 H LYS 8 HN LYS 8 19.119 -5.700 -5.700
498 HA LYS 8 HA LYS 8 16.765 -7.193 -7.193
499 1HB LYS 8 HB2 LYS 8 18.053 -5.413 -5.413
500 2HB LYS 8 HB1 LYS 8 16.315 -5.116 -5.116
501 1HG LYS 8 HG2 LYS 8 16.034 -7.650 -7.650
502 2HG LYS 8 HG1 LYS 8 17.761 -7.712 -7.712
503 1HD LYS 8 HD2 LYS 8 16.469 -5.646 -5.646
504 2HD LYS 8 HD1 LYS 8 15.696 -7.210 -7.210
505 1HE LYS 8 HE2 LYS 8 18.316 -7.957 -7.957
506 2HE LYS 8 HE1 LYS 8 18.423 -6.320 -6.320
507 1HZ LYS 8 HZ2 LYS 8 16.334 -7.024 -7.024
508 2HZ LYS 8 HZ1 LYS 8 16.827 -8.612 -8.612
509 3HZ LYS 8 HZ3 LYS 8 17.845 -7.587 -7.587
510 H ALA 9 HN ALA 9 17.029 -3.623 -3.623
511 HA ALA 9 HA ALA 9 14.315 -3.176 -3.176
512 1HB ALA 9 HB1 ALA 9 15.918 -1.536 -1.536
513 2HB ALA 9 HB3 ALA 9 16.789 -1.504 -1.504
514 3HB ALA 9 HB2 ALA 9 15.130 -0.911 -0.911
515 H LYS 10 HN LYS 10 17.092 -4.222 -4.222
516 HA LYS 10 HA LYS 10 16.353 -3.330 -3.330
517 1HB LYS 10 HB2 LYS 10 18.523 -4.353 -4.353
518 2HB LYS 10 HB1 LYS 10 17.921 -5.771 -5.771
519 1HG LYS 10 HG2 LYS 10 19.037 -4.956 -4.956
520 2HG LYS 10 HG1 LYS 10 17.695 -3.816 -3.816
521 1HD LYS 10 HD2 LYS 10 19.359 -2.729 -2.729
522 2HD LYS 10 HD1 LYS 10 20.466 -3.314 -3.314
523 1HE LYS 10 HE2 LYS 10 19.632 -1.865 -1.865
524 2HE LYS 10 HE1 LYS 10 18.033 -1.772 -1.772
525 1HZ LYS 10 HZ3 LYS 10 20.470 -0.790 -0.790
526 2HZ LYS 10 HZ2 LYS 10 19.570 0.212 0.212
527 3HZ LYS 10 HZ1 LYS 10 18.850 -0.437 -0.437
528 H LYS 11 HN LYS 11 16.418 -6.684 -6.684
529 HA LYS 11 HA LYS 11 14.948 -7.960 -7.960
530 1HB LYS 11 HB2 LYS 11 15.248 -8.237 -8.237
531 2HB LYS 11 HB1 LYS 11 14.051 -9.253 -9.253
532 1HG LYS 11 HG2 LYS 11 16.994 -9.064 -9.064
533 2HG LYS 11 HG1 LYS 11 16.202 -10.423 -10.423
534 1HD LYS 11 HD2 LYS 11 14.655 -9.979 -9.979
535 2HD LYS 11 HD1 LYS 11 16.316 -9.764 -9.764
536 1HE LYS 11 HE2 LYS 11 16.431 -12.016 -12.016
537 2HE LYS 11 HE1 LYS 11 14.948 -12.228 -12.228
538 1HZ LYS 11 HZ1 LYS 11 16.440 -11.349 -11.349
539 2HZ LYS 11 HZ3 LYS 11 17.718 -11.883 -11.883
540 3HZ LYS 11 HZ2 LYS 11 16.536 -12.984 -12.984
541 H LEU 12 HN LEU 12 13.757 -5.782 -5.782
542 HA LEU 12 HA LEU 12 10.978 -6.373 -6.373
543 1HB LEU 12 HB2 LEU 12 12.612 -4.005 -4.005
544 2HB LEU 12 HB1 LEU 12 10.852 -4.042 -4.042
545 HG LEU 12 HG LEU 12 12.766 -6.072 -6.072
546 1HD1 LEU 12 HD13 LEU 12 11.456 -3.608 -3.608
547 2HD1 LEU 12 HD12 LEU 12 11.375 -5.006 -5.006
548 3HD1 LEU 12 HD11 LEU 12 12.940 -4.392 -4.392
549 1HD2 LEU 12 HD22 LEU 12 9.774 -5.897 -5.897
550 2HD2 LEU 12 HD21 LEU 12 10.824 -7.301 -7.301
551 3HD2 LEU 12 HD23 LEU 12 10.489 -6.666 -6.666
552 H ILE 13 HN ILE 13 13.125 -4.705 -4.705
553 HA ILE 13 HA ILE 13 10.828 -3.955 -3.955
554 HB ILE 13 HB ILE 13 11.977 -1.642 -1.642
555 1HG1 ILE 13 HG12 ILE 13 12.875 -1.530 -1.530
556 2HG1 ILE 13 HG11 ILE 13 13.670 -2.917 -2.917
557 1HG2 ILE 13 HG22 ILE 13 9.888 -2.547 -2.547
558 2HG2 ILE 13 HG21 ILE 13 10.918 -1.794 -1.794
559 3HG2 ILE 13 HG23 ILE 13 10.344 -0.850 -0.850
560 1HD1 ILE 13 HD11 ILE 13 13.552 -0.206 -0.206
561 2HD1 ILE 13 HD13 ILE 13 14.875 -0.689 -0.689
562 3HD1 ILE 13 HD12 ILE 13 14.572 -1.578 -1.578
563 H GLU 14 HN GLU 14 12.572 -5.949 -5.949
564 HA GLU 14 HA GLU 14 14.167 -4.823 -4.823
565 1HB GLU 14 HB2 GLU 14 14.836 -6.903 -6.903
566 2HB GLU 14 HB1 GLU 14 15.876 -6.532 -6.532
567 1HG GLU 14 HG2 GLU 14 14.931 -4.287 -4.287
568 2HG GLU 14 HG1 GLU 14 16.214 -5.311 -5.311
Start of MODEL 7
1 1H CYS 1 HT1 CYS 1 2.536 6.791 6.791
2 2H CYS 1 HT3 CYS 1 2.961 7.821 7.821
3 3H CYS 1 HT2 CYS 1 3.907 7.785 7.785
4 HA CYS 1 HA CYS 1 5.155 6.506 6.506
5 1HB CYS 1 HB2 CYS 1 3.865 4.798 4.798
6 2HB CYS 1 HB1 CYS 1 3.568 6.499 6.499
7 H TYR 2 HN TYR 2 6.048 5.525 5.525
8 HA TYR 2 HA TYR 2 5.163 2.811 2.811
9 1HB TYR 2 HB2 TYR 2 5.003 3.651 3.651
10 2HB TYR 2 HB1 TYR 2 3.595 3.662 3.662
11 HD1 TYR 2 HD1 TYR 2 2.432 5.498 5.498
12 HD2 TYR 2 HD2 TYR 2 6.451 6.000 6.000
13 HE1 TYR 2 HE1 TYR 2 2.229 7.956 7.956
14 HE2 TYR 2 HE2 TYR 2 6.253 8.440 8.440
15 HH TYR 2 HH TYR 2 3.325 9.907 9.907
16 H LEU 3 HN LEU 3 6.636 4.614 4.614
17 HA LEU 3 HA LEU 3 9.025 3.177 3.177
18 1HB LEU 3 HB2 LEU 3 9.899 5.128 5.128
19 2HB LEU 3 HB1 LEU 3 8.394 4.461 4.461
20 HG LEU 3 HG LEU 3 7.535 6.177 6.177
21 1HD1 LEU 3 HD12 LEU 3 10.085 6.854 6.854
22 2HD1 LEU 3 HD11 LEU 3 9.647 7.798 7.798
23 3HD1 LEU 3 HD13 LEU 3 8.832 8.091 8.091
24 1HD2 LEU 3 HD22 LEU 3 7.567 5.905 5.905
25 2HD2 LEU 3 HD21 LEU 3 6.432 6.860 6.860
26 3HD2 LEU 3 HD23 LEU 3 7.906 7.604 7.604
27 H ARG 4 HN ARG 4 8.346 6.362 6.362
28 HA ARG 4 HA ARG 4 10.884 6.859 6.859
29 1HB ARG 4 HB2 ARG 4 9.718 8.487 8.487
30 2HB ARG 4 HB1 ARG 4 8.618 8.212 8.212
31 1HG ARG 4 HG2 ARG 4 7.190 6.823 6.823
32 2HG ARG 4 HG1 ARG 4 8.381 6.706 6.706
33 1HD ARG 4 HD2 ARG 4 7.273 8.439 8.439
34 2HD ARG 4 HD1 ARG 4 8.006 9.456 9.456
35 HE ARG 4 HE ARG 4 5.721 8.134 8.134
36 1HH1 ARG 4 HH11 ARG 4 5.490 9.518 9.518
37 2HH1 ARG 4 HH12 ARG 4 4.542 10.890 10.890
38 1HH2 ARG 4 HH21 ARG 4 4.968 10.350 10.350
39 2HH2 ARG 4 HH22 ARG 4 4.245 11.358 11.358
40 H ARG 5 HN ARG 5 8.154 4.907 4.907
41 HA ARG 5 HA ARG 5 9.103 4.144 4.144
42 1HB ARG 5 HB2 ARG 5 7.078 3.161 3.161
43 2HB ARG 5 HB1 ARG 5 7.088 3.463 3.463
44 1HG ARG 5 HG2 ARG 5 8.691 1.272 1.272
45 2HG ARG 5 HG1 ARG 5 7.680 0.968 0.968
46 1HD ARG 5 HD2 ARG 5 6.150 0.158 0.158
47 2HD ARG 5 HD1 ARG 5 5.887 1.850 1.850
48 HE ARG 5 HE ARG 5 7.800 1.527 1.527
49 1HH1 ARG 5 HH21 ARG 5 7.737 -1.378 -1.378
50 2HH1 ARG 5 HH22 ARG 5 7.379 -2.335 -2.335
51 1HH2 ARG 5 HH11 ARG 5 6.608 0.392 0.392
52 2HH2 ARG 5 HH12 ARG 5 6.740 -1.334 -1.334
53 H PHE 6 HN PHE 6 10.036 3.277 3.277
54 HA PHE 6 HA PHE 6 11.828 1.095 1.095
55 1HB PHE 6 HB2 PHE 6 11.144 0.294 0.294
56 2HB PHE 6 HB1 PHE 6 10.268 1.788 1.788
57 HD1 PHE 6 HD1 PHE 6 13.664 0.282 0.282
58 HD2 PHE 6 HD2 PHE 6 10.928 3.220 3.220
59 HE1 PHE 6 HE1 PHE 6 15.253 0.841 0.841
60 HE2 PHE 6 HE2 PHE 6 12.517 3.784 3.784
61 HZ PHE 6 HZ PHE 6 14.696 2.599 2.599
62 H PHE 7 HN PHE 7 11.919 4.213 4.213
63 HA PHE 7 HA PHE 7 14.710 4.389 4.389
64 1HB PHE 7 HB2 PHE 7 12.332 5.987 5.987
65 2HB PHE 7 HB1 PHE 7 13.699 6.963 6.963
66 HD1 PHE 7 HD1 PHE 7 12.042 5.761 5.761
67 HD2 PHE 7 HD2 PHE 7 15.999 6.312 6.312
68 HE1 PHE 7 HE1 PHE 7 12.968 5.716 5.716
69 HE2 PHE 7 HE2 PHE 7 16.924 6.268 6.268
70 HZ PHE 7 HZ PHE 7 15.409 5.971 5.971
71 H LYS 8 HN LYS 8 12.720 5.017 5.017
72 HA LYS 8 HA LYS 8 14.469 6.640 6.640
73 1HB LYS 8 HB2 LYS 8 12.456 6.514 6.514
74 2HB LYS 8 HB1 LYS 8 12.119 4.964 4.964
75 1HG LYS 8 HG2 LYS 8 12.979 3.765 3.765
76 2HG LYS 8 HG1 LYS 8 14.110 5.037 5.037
77 1HD LYS 8 HD2 LYS 8 12.446 5.060 5.060
78 2HD LYS 8 HD1 LYS 8 12.039 6.411 6.411
79 1HE LYS 8 HE2 LYS 8 10.342 5.090 5.090
80 2HE LYS 8 HE1 LYS 8 10.810 3.643 3.643
81 1HZ LYS 8 HZ3 LYS 8 10.486 5.386 5.386
82 2HZ LYS 8 HZ2 LYS 8 9.335 5.991 5.991
83 3HZ LYS 8 HZ1 LYS 8 9.236 4.383 4.383
84 H ALA 9 HN ALA 9 14.751 3.382 3.382
85 HA ALA 9 HA ALA 9 16.609 2.619 2.619
86 1HB ALA 9 HB1 ALA 9 14.683 1.300 1.300
87 2HB ALA 9 HB3 ALA 9 16.142 0.850 0.850
88 3HB ALA 9 HB2 ALA 9 16.005 0.490 0.490
89 H LYS 10 HN LYS 10 16.525 3.477 3.477
90 HA LYS 10 HA LYS 10 19.163 2.689 2.689
91 1HB LYS 10 HB2 LYS 10 16.819 3.706 3.706
92 2HB LYS 10 HB1 LYS 10 18.045 4.920 4.920
93 1HG LYS 10 HG2 LYS 10 19.119 2.285 2.285
94 2HG LYS 10 HG1 LYS 10 17.642 2.512 2.512
95 1HD LYS 10 HD2 LYS 10 18.536 4.588 4.588
96 2HD LYS 10 HD1 LYS 10 19.998 4.412 4.412
97 1HE LYS 10 HE2 LYS 10 20.836 2.710 2.710
98 2HE LYS 10 HE1 LYS 10 19.221 2.094 2.094
99 1HZ LYS 10 HZ2 LYS 10 18.917 4.319 4.319
100 2HZ LYS 10 HZ1 LYS 10 20.609 4.465 4.465
101 3HZ LYS 10 HZ3 LYS 10 19.910 3.169 3.169
102 H LYS 11 HN LYS 11 17.771 5.889 5.889
103 HA LYS 11 HA LYS 11 20.061 7.466 7.466
104 1HB LYS 11 HB2 LYS 11 17.431 7.499 7.499
105 2HB LYS 11 HB1 LYS 11 18.578 8.185 8.185
106 1HG LYS 11 HG2 LYS 11 18.154 9.051 9.051
107 2HG LYS 11 HG1 LYS 11 17.763 9.974 9.974
108 1HD LYS 11 HD2 LYS 11 19.872 10.745 10.745
109 2HD LYS 11 HD1 LYS 11 20.531 9.113 9.113
110 1HE LYS 11 HE2 LYS 11 20.726 9.213 9.213
111 2HE LYS 11 HE1 LYS 11 19.504 10.492 10.492
112 1HZ LYS 11 HZ1 LYS 11 21.028 11.927 11.927
113 2HZ LYS 11 HZ3 LYS 11 22.222 10.730 10.730
114 3HZ LYS 11 HZ2 LYS 11 21.629 11.515 11.515
115 H LEU 12 HN LEU 12 19.083 5.159 5.159
116 HA LEU 12 HA LEU 12 20.914 5.881 5.881
117 1HB LEU 12 HB2 LEU 12 19.710 3.209 3.209
118 2HB LEU 12 HB1 LEU 12 20.419 3.594 3.594
119 HG LEU 12 HG LEU 12 17.982 4.866 4.866
120 1HD1 LEU 12 HD13 LEU 12 18.411 2.696 2.696
121 2HD1 LEU 12 HD12 LEU 12 17.582 4.007 4.007
122 3HD1 LEU 12 HD11 LEU 12 16.886 3.319 3.319
123 1HD2 LEU 12 HD21 LEU 12 19.509 5.607 5.607
124 2HD2 LEU 12 HD23 LEU 12 19.289 6.614 6.614
125 3HD2 LEU 12 HD22 LEU 12 17.908 6.224 6.224
126 H ILE 13 HN ILE 13 21.474 4.413 4.413
127 HA ILE 13 HA ILE 13 24.283 3.909 3.909
128 HB ILE 13 HB ILE 13 24.059 1.737 1.737
129 1HG1 ILE 13 HG12 ILE 13 21.468 1.078 1.078
130 2HG1 ILE 13 HG11 ILE 13 21.307 2.688 2.688
131 1HG2 ILE 13 HG22 ILE 13 22.757 1.993 1.993
132 2HG2 ILE 13 HG21 ILE 13 23.305 0.481 0.481
133 3HG2 ILE 13 HG23 ILE 13 24.474 1.737 1.737
134 1HD1 ILE 13 HD13 ILE 13 23.049 0.830 0.830
135 2HD1 ILE 13 HD12 ILE 13 21.332 0.430 0.430
136 3HD1 ILE 13 HD11 ILE 13 21.870 1.999 1.999
137 H GLU 14 HN GLU 14 23.351 6.034 6.034
138 HA GLU 14 HA GLU 14 24.490 5.501 5.501
139 1HB GLU 14 HB2 GLU 14 22.032 7.006 7.006
140 2HB GLU 14 HB1 GLU 14 22.650 7.022 7.022
141 1HG GLU 14 HG2 GLU 14 22.164 4.424 4.424
142 2HG GLU 14 HG1 GLU 14 20.823 5.264 5.264
143 1H CYS 1 HT1 CYS 1 0.796 5.554 5.554
144 2H CYS 1 HT3 CYS 1 -0.062 4.514 4.514
145 3H CYS 1 HT2 CYS 1 0.757 3.887 3.887
146 HA CYS 1 HA CYS 1 2.060 3.411 3.411
147 1HB CYS 1 HB2 CYS 1 1.302 6.268 6.268
148 2HB CYS 1 HB1 CYS 1 2.837 5.707 5.707
149 H TYR 2 HN TYR 2 2.211 4.781 4.781
150 HA TYR 2 HA TYR 2 5.157 5.278 5.278
151 1HB TYR 2 HB2 TYR 2 4.850 6.977 6.977
152 2HB TYR 2 HB1 TYR 2 3.301 7.056 7.056
153 HD1 TYR 2 HD1 TYR 2 5.009 5.451 5.451
154 HD2 TYR 2 HD2 TYR 2 1.291 6.685 6.685
155 HE1 TYR 2 HE1 TYR 2 3.871 4.845 4.845
156 HE2 TYR 2 HE2 TYR 2 0.122 6.092 6.092
157 HH TYR 2 HH TYR 2 0.544 5.719 5.719
158 H LEU 3 HN LEU 3 2.519 3.524 3.524
159 HA LEU 3 HA LEU 3 3.579 2.432 2.432
160 1HB LEU 3 HB2 LEU 3 1.859 1.513 1.513
161 2HB LEU 3 HB1 LEU 3 2.442 0.254 0.254
162 HG LEU 3 HG LEU 3 1.555 1.483 1.483
163 1HD1 LEU 3 HD11 LEU 3 1.884 3.735 3.735
164 2HD1 LEU 3 HD13 LEU 3 0.317 3.426 3.426
165 3HD1 LEU 3 HD12 LEU 3 0.448 3.564 3.564
166 1HD2 LEU 3 HD21 LEU 3 -0.208 0.775 0.775
167 2HD2 LEU 3 HD23 LEU 3 -0.106 0.033 0.033
168 3HD2 LEU 3 HD22 LEU 3 -0.946 1.570 1.570
169 H ARG 4 HN ARG 4 4.026 1.162 1.162
170 HA ARG 4 HA ARG 4 5.882 -0.865 -0.865
171 1HB ARG 4 HB2 ARG 4 6.313 1.284 1.284
172 2HB ARG 4 HB1 ARG 4 6.493 -0.460 -0.460
173 1HG ARG 4 HG2 ARG 4 4.446 -0.357 -0.357
174 2HG ARG 4 HG1 ARG 4 3.846 -0.256 -0.256
175 1HD ARG 4 HD2 ARG 4 4.025 2.278 2.278
176 2HD ARG 4 HD1 ARG 4 4.396 2.064 2.064
177 HE ARG 4 HE ARG 4 1.781 1.860 1.860
178 1HH1 ARG 4 HH11 ARG 4 2.402 1.982 1.982
179 2HH1 ARG 4 HH12 ARG 4 1.848 0.435 0.435
180 1HH2 ARG 4 HH21 ARG 4 1.732 -0.940 -0.940
181 2HH2 ARG 4 HH22 ARG 4 1.467 -1.219 -1.219
182 H ARG 5 HN ARG 5 6.427 2.642 2.642
183 HA ARG 5 HA ARG 5 9.292 2.431 2.431
184 1HB ARG 5 HB2 ARG 5 8.837 4.453 4.453
185 2HB ARG 5 HB1 ARG 5 7.216 4.480 4.480
186 1HG ARG 5 HG2 ARG 5 9.457 4.787 4.787
187 2HG ARG 5 HG1 ARG 5 9.142 6.145 6.145
188 1HD ARG 5 HD2 ARG 5 6.600 5.417 5.417
189 2HD ARG 5 HD1 ARG 5 7.565 5.200 5.200
190 HE ARG 5 HE ARG 5 7.981 7.688 7.688
191 1HH1 ARG 5 HH11 ARG 5 8.883 7.051 7.051
192 2HH1 ARG 5 HH12 ARG 5 7.783 8.038 8.038
193 1HH2 ARG 5 HH21 ARG 5 5.629 8.542 8.542
194 2HH2 ARG 5 HH22 ARG 5 5.938 8.877 8.877
195 H PHE 6 HN PHE 6 6.489 3.099 3.099
196 HA PHE 6 HA PHE 6 8.093 3.332 3.332
197 1HB PHE 6 HB2 PHE 6 6.136 4.405 4.405
198 2HB PHE 6 HB1 PHE 6 5.325 3.502 3.502
199 HD1 PHE 6 HD1 PHE 6 6.300 3.512 3.512
200 HD2 PHE 6 HD2 PHE 6 4.056 1.551 1.551
201 HE1 PHE 6 HE1 PHE 6 5.120 2.188 2.188
202 HE2 PHE 6 HE2 PHE 6 2.873 0.221 0.221
203 HZ PHE 6 HZ PHE 6 3.399 0.526 0.526
204 H PHE 7 HN PHE 7 5.894 0.800 0.800
205 HA PHE 7 HA PHE 7 6.274 -1.106 -1.106
206 1HB PHE 7 HB2 PHE 7 5.076 -0.841 -0.841
207 2HB PHE 7 HB1 PHE 7 5.955 -2.368 -2.368
208 HD1 PHE 7 HD1 PHE 7 5.757 -3.540 -3.540
209 HD2 PHE 7 HD2 PHE 7 2.847 -0.985 -0.985
210 HE1 PHE 7 HE1 PHE 7 3.988 -4.525 -4.525
211 HE2 PHE 7 HE2 PHE 7 1.072 -1.975 -1.975
212 HZ PHE 7 HZ PHE 7 1.642 -3.746 -3.746
213 H LYS 8 HN LYS 8 8.110 -0.552 -0.552
214 HA LYS 8 HA LYS 8 9.793 -2.707 -2.707
215 1HB LYS 8 HB2 LYS 8 9.795 0.070 0.070
216 2HB LYS 8 HB1 LYS 8 11.423 -0.427 -0.427
217 1HG LYS 8 HG2 LYS 8 11.456 -2.148 -2.148
218 2HG LYS 8 HG1 LYS 8 9.718 -2.023 -2.023
219 1HD LYS 8 HD2 LYS 8 10.745 0.563 0.563
220 2HD LYS 8 HD1 LYS 8 11.862 -0.541 -0.541
221 1HE LYS 8 HE2 LYS 8 8.929 -1.042 -1.042
222 2HE LYS 8 HE1 LYS 8 9.665 0.299 0.299
223 1HZ LYS 8 HZ1 LYS 8 11.512 -1.374 -1.374
224 2HZ LYS 8 HZ3 LYS 8 10.397 -2.565 -2.565
225 3HZ LYS 8 HZ2 LYS 8 10.051 -1.542 -1.542
226 H ALA 9 HN ALA 9 9.766 -0.294 -0.294
227 HA ALA 9 HA ALA 9 12.305 -1.187 -1.187
228 1HB ALA 9 HB3 ALA 9 11.432 1.196 1.196
229 2HB ALA 9 HB2 ALA 9 10.212 0.699 0.699
230 3HB ALA 9 HB1 ALA 9 11.923 0.640 0.640
231 H LYS 10 HN LYS 10 8.850 -1.540 -1.540
232 HA LYS 10 HA LYS 10 9.005 -2.812 -2.812
233 1HB LYS 10 HB2 LYS 10 7.169 -1.664 -1.664
234 2HB LYS 10 HB1 LYS 10 6.748 -3.368 -3.368
235 1HG LYS 10 HG2 LYS 10 7.361 -2.487 -2.487
236 2HG LYS 10 HG1 LYS 10 6.077 -1.507 -1.507
237 1HD LYS 10 HD2 LYS 10 5.791 -4.370 -4.370
238 2HD LYS 10 HD1 LYS 10 5.721 -3.982 -3.982
239 1HE LYS 10 HE2 LYS 10 4.190 -1.975 -1.975
240 2HE LYS 10 HE1 LYS 10 3.726 -3.478 -3.478
241 1HZ LYS 10 HZ2 LYS 10 4.108 -3.547 -3.547
242 2HZ LYS 10 HZ1 LYS 10 2.684 -2.834 -2.834
243 3HZ LYS 10 HZ3 LYS 10 3.045 -4.448 -4.448
244 H LYS 11 HN LYS 11 8.291 -4.072 -4.072
245 HA LYS 11 HA LYS 11 8.218 -6.805 -6.805
246 1HB LYS 11 HB2 LYS 11 8.565 -5.044 -5.044
247 2HB LYS 11 HB1 LYS 11 9.536 -6.502 -6.502
248 1HG LYS 11 HG2 LYS 11 6.626 -6.592 -6.592
249 2HG LYS 11 HG1 LYS 11 7.138 -6.637 -6.637
250 1HD LYS 11 HD2 LYS 11 8.746 -8.511 -8.511
251 2HD LYS 11 HD1 LYS 11 7.074 -8.787 -8.787
252 1HE LYS 11 HE2 LYS 11 6.652 -8.516 -8.516
253 2HE LYS 11 HE1 LYS 11 8.326 -9.102 -9.102
254 1HZ LYS 11 HZ1 LYS 11 7.432 -10.718 -10.718
255 2HZ LYS 11 HZ3 LYS 11 5.939 -10.413 -10.413
256 3HZ LYS 11 HZ2 LYS 11 7.216 -11.078 -11.078
257 H LEU 12 HN LEU 12 10.965 -4.639 -4.639
258 HA LEU 12 HA LEU 12 12.996 -6.666 -6.666
259 1HB LEU 12 HB2 LEU 12 12.842 -3.728 -3.728
260 2HB LEU 12 HB1 LEU 12 14.375 -4.583 -4.583
261 HG LEU 12 HG LEU 12 12.663 -4.518 -4.518
262 1HD1 LEU 12 HD13 LEU 12 14.614 -2.697 -2.697
263 2HD1 LEU 12 HD12 LEU 12 15.306 -3.506 -3.506
264 3HD1 LEU 12 HD11 LEU 12 13.780 -2.636 -2.636
265 1HD2 LEU 12 HD21 LEU 12 15.004 -6.123 -6.123
266 2HD2 LEU 12 HD23 LEU 12 13.755 -6.507 -6.507
267 3HD2 LEU 12 HD22 LEU 12 15.099 -5.455 -5.455
268 H ILE 13 HN ILE 13 10.947 -5.869 -5.869
269 HA ILE 13 HA ILE 13 12.751 -7.174 -7.174
270 HB ILE 13 HB ILE 13 12.183 -5.225 -5.225
271 1HG1 ILE 13 HG12 ILE 13 12.167 -3.154 -3.154
272 2HG1 ILE 13 HG11 ILE 13 11.035 -4.296 -4.296
273 1HG2 ILE 13 HG21 ILE 13 14.412 -5.759 -5.759
274 2HG2 ILE 13 HG23 ILE 13 13.973 -4.486 -4.486
275 3HG2 ILE 13 HG22 ILE 13 14.183 -4.105 -4.105
276 1HD1 ILE 13 HD11 ILE 13 10.645 -4.098 -4.098
277 2HD1 ILE 13 HD13 ILE 13 10.512 -2.516 -2.516
278 3HD1 ILE 13 HD12 ILE 13 9.484 -3.845 -3.845
279 H GLU 14 HN GLU 14 10.435 -8.174 -8.174
280 HA GLU 14 HA GLU 14 8.623 -8.179 -8.179
281 1HB GLU 14 HB2 GLU 14 8.096 -8.063 -8.063
282 2HB GLU 14 HB1 GLU 14 6.819 -8.284 -8.284
283 1HG GLU 14 HG2 GLU 14 8.737 -6.040 -6.040
284 2HG GLU 14 HG1 GLU 14 7.529 -5.854 -5.854
285 1H CYS 1 HT3 CYS 1 23.193 -4.497 -4.497
286 2H CYS 1 HT2 CYS 1 24.820 -4.004 -4.004
287 3H CYS 1 HT1 CYS 1 23.621 -2.978 -2.978
288 HA CYS 1 HA CYS 1 24.010 -2.069 -2.069
289 1HB CYS 1 HB2 CYS 1 24.329 -4.997 -4.997
290 2HB CYS 1 HB1 CYS 1 24.058 -3.843 -3.843
291 H TYR 2 HN TYR 2 21.800 -1.776 -1.776
292 HA TYR 2 HA TYR 2 19.813 -1.833 -1.833
293 1HB TYR 2 HB2 TYR 2 18.797 -3.878 -3.878
294 2HB TYR 2 HB1 TYR 2 20.289 -4.370 -4.370
295 HD1 TYR 2 HD1 TYR 2 17.045 -2.684 -2.684
296 HD2 TYR 2 HD2 TYR 2 20.217 -5.189 -5.189
297 HE1 TYR 2 HE1 TYR 2 15.832 -2.996 -2.996
298 HE2 TYR 2 HE2 TYR 2 19.008 -5.517 -5.517
299 HH TYR 2 HH TYR 2 17.290 -4.436 -4.436
300 H LEU 3 HN LEU 3 20.661 -1.853 -1.853
301 HA LEU 3 HA LEU 3 18.423 -0.809 -0.809
302 1HB LEU 3 HB2 LEU 3 21.349 -0.526 -0.526
303 2HB LEU 3 HB1 LEU 3 20.382 0.589 0.589
304 HG LEU 3 HG LEU 3 19.233 -1.276 -1.276
305 1HD1 LEU 3 HD13 LEU 3 19.401 -2.743 -2.743
306 2HD1 LEU 3 HD12 LEU 3 21.063 -3.092 -3.092
307 3HD1 LEU 3 HD11 LEU 3 19.723 -3.571 -3.571
308 1HD2 LEU 3 HD23 LEU 3 21.358 -0.537 -0.537
309 2HD2 LEU 3 HD22 LEU 3 21.119 -2.269 -2.269
310 3HD2 LEU 3 HD21 LEU 3 22.228 -1.691 -1.691
311 H ARG 4 HN ARG 4 20.942 0.927 0.927
312 HA ARG 4 HA ARG 4 19.752 3.513 3.513
313 1HB ARG 4 HB2 ARG 4 21.114 3.734 3.734
314 2HB ARG 4 HB1 ARG 4 21.914 3.705 3.705
315 1HG ARG 4 HG2 ARG 4 22.914 2.191 2.191
316 2HG ARG 4 HG1 ARG 4 22.512 1.401 1.401
317 1HD ARG 4 HD2 ARG 4 20.691 0.280 0.280
318 2HD ARG 4 HD1 ARG 4 20.479 1.463 1.463
319 HE ARG 4 HE ARG 4 22.200 -0.838 -0.838
320 1HH1 ARG 4 HH11 ARG 4 21.600 2.344 2.344
321 2HH1 ARG 4 HH12 ARG 4 22.890 2.337 2.337
322 1HH2 ARG 4 HH21 ARG 4 24.069 -0.785 -0.785
323 2HH2 ARG 4 HH22 ARG 4 24.285 0.564 0.564
324 H ARG 5 HN ARG 5 18.964 0.749 0.749
325 HA ARG 5 HA ARG 5 17.208 2.476 2.476
326 1HB ARG 5 HB2 ARG 5 17.350 0.814 0.814
327 2HB ARG 5 HB1 ARG 5 18.861 0.504 0.504
328 1HG ARG 5 HG2 ARG 5 17.326 -1.070 -1.070
329 2HG ARG 5 HG1 ARG 5 16.296 -1.034 -1.034
330 1HD ARG 5 HD2 ARG 5 19.242 -1.541 -1.541
331 2HD ARG 5 HD1 ARG 5 18.156 -2.869 -2.869
332 HE ARG 5 HE ARG 5 17.050 -2.643 -2.643
333 1HH1 ARG 5 HH21 ARG 5 20.064 -1.574 -1.574
334 2HH1 ARG 5 HH22 ARG 5 19.733 -0.350 -0.350
335 1HH2 ARG 5 HH11 ARG 5 16.298 -0.453 -0.453
336 2HH2 ARG 5 HH12 ARG 5 17.601 0.284 0.284
337 H PHE 6 HN PHE 6 16.966 1.036 1.036
338 HA PHE 6 HA PHE 6 14.149 0.160 0.160
339 1HB PHE 6 HB2 PHE 6 14.941 -1.668 -1.668
340 2HB PHE 6 HB1 PHE 6 16.423 -0.831 -0.831
341 HD1 PHE 6 HD1 PHE 6 13.161 -1.932 -1.932
342 HD2 PHE 6 HD2 PHE 6 16.515 0.550 0.550
343 HE1 PHE 6 HE1 PHE 6 12.396 -1.819 -1.819
344 HE2 PHE 6 HE2 PHE 6 15.755 0.669 0.669
345 HZ PHE 6 HZ PHE 6 13.685 -0.513 -0.513
346 H PHE 7 HN PHE 7 16.222 1.931 1.931
347 HA PHE 7 HA PHE 7 13.966 3.056 3.056
348 1HB PHE 7 HB2 PHE 7 15.603 3.859 3.859
349 2HB PHE 7 HB1 PHE 7 16.507 2.574 2.574
350 HD1 PHE 7 HD1 PHE 7 18.550 3.070 3.070
351 HD2 PHE 7 HD2 PHE 7 15.701 6.216 6.216
352 HE1 PHE 7 HE1 PHE 7 20.197 4.752 4.752
353 HE2 PHE 7 HE2 PHE 7 17.349 7.887 7.887
354 HZ PHE 7 HZ PHE 7 19.597 7.156 7.156
355 H LYS 8 HN LYS 8 16.041 4.063 4.063
356 HA LYS 8 HA LYS 8 15.358 6.801 6.801
357 1HB LYS 8 HB2 LYS 8 16.457 4.711 4.711
358 2HB LYS 8 HB1 LYS 8 15.785 6.094 6.094
359 1HG LYS 8 HG2 LYS 8 17.274 7.121 7.121
360 2HG LYS 8 HG1 LYS 8 18.285 5.899 5.899
361 1HD LYS 8 HD2 LYS 8 16.813 7.834 7.834
362 2HD LYS 8 HD1 LYS 8 18.260 8.393 8.393
363 1HE LYS 8 HE2 LYS 8 18.901 5.845 5.845
364 2HE LYS 8 HE1 LYS 8 18.100 6.762 6.762
365 1HZ LYS 8 HZ3 LYS 8 20.014 8.165 8.165
366 2HZ LYS 8 HZ2 LYS 8 20.636 7.119 7.119
367 3HZ LYS 8 HZ1 LYS 8 19.642 8.422 8.422
368 H ALA 9 HN ALA 9 13.907 3.973 3.973
369 HA ALA 9 HA ALA 9 11.843 5.375 5.375
370 1HB ALA 9 HB2 ALA 9 12.828 2.913 2.913
371 2HB ALA 9 HB1 ALA 9 11.530 2.577 2.577
372 3HB ALA 9 HB3 ALA 9 11.150 3.212 3.212
373 H LYS 10 HN LYS 10 12.214 4.187 4.187
374 HA LYS 10 HA LYS 10 9.498 4.276 4.276
375 1HB LYS 10 HB2 LYS 10 11.839 3.382 3.382
376 2HB LYS 10 HB1 LYS 10 11.707 4.897 4.897
377 1HG LYS 10 HG2 LYS 10 10.680 2.999 2.999
378 2HG LYS 10 HG1 LYS 10 9.516 4.269 4.269
379 1HD LYS 10 HD2 LYS 10 8.312 2.904 2.904
380 2HD LYS 10 HD1 LYS 10 9.758 2.302 2.302
381 1HE LYS 10 HE2 LYS 10 10.027 0.536 0.536
382 2HE LYS 10 HE1 LYS 10 9.198 1.391 1.391
383 1HZ LYS 10 HZ1 LYS 10 7.133 1.250 1.250
384 2HZ LYS 10 HZ3 LYS 10 7.925 0.391 0.391
385 3HZ LYS 10 HZ2 LYS 10 7.755 -0.300 -0.300
386 H LYS 11 HN LYS 11 12.130 6.547 6.547
387 HA LYS 11 HA LYS 11 10.684 8.631 8.631
388 1HB LYS 11 HB2 LYS 11 13.111 8.426 8.426
389 2HB LYS 11 HB1 LYS 11 12.510 10.029 10.029
390 1HG LYS 11 HG2 LYS 11 13.284 7.829 7.829
391 2HG LYS 11 HG1 LYS 11 14.172 9.325 9.325
392 1HD LYS 11 HD2 LYS 11 11.973 10.525 10.525
393 2HD LYS 11 HD1 LYS 11 11.484 8.969 8.969
394 1HE LYS 11 HE2 LYS 11 13.660 8.968 8.968
395 2HE LYS 11 HE1 LYS 11 13.873 10.654 10.654
396 1HZ LYS 11 HZ3 LYS 11 11.364 10.771 10.771
397 2HZ LYS 11 HZ2 LYS 11 11.835 9.490 9.490
398 3HZ LYS 11 HZ1 LYS 11 12.619 10.992 10.992
399 H LEU 12 HN LEU 12 11.058 7.871 7.871
400 HA LEU 12 HA LEU 12 9.805 10.171 10.171
401 1HB LEU 12 HB2 LEU 12 10.272 7.330 7.330
402 2HB LEU 12 HB1 LEU 12 9.411 8.458 8.458
403 HG LEU 12 HG LEU 12 12.094 9.119 9.119
404 1HD1 LEU 12 HD12 LEU 12 12.310 7.086 7.086
405 2HD1 LEU 12 HD11 LEU 12 11.509 7.915 7.915
406 3HD1 LEU 12 HD13 LEU 12 13.086 8.468 8.468
407 1HD2 LEU 12 HD23 LEU 12 10.240 10.313 10.313
408 2HD2 LEU 12 HD22 LEU 12 11.198 11.110 11.110
409 3HD2 LEU 12 HD21 LEU 12 11.975 10.533 10.533
410 H ILE 13 HN ILE 13 8.468 7.654 7.654
411 HA ILE 13 HA ILE 13 5.742 8.573 8.573
412 HB ILE 13 HB ILE 13 5.118 6.052 6.052
413 1HG1 ILE 13 HG12 ILE 13 7.353 5.045 5.045
414 2HG1 ILE 13 HG11 ILE 13 8.052 5.968 5.968
415 1HG2 ILE 13 HG23 ILE 13 5.074 7.615 7.615
416 2HG2 ILE 13 HG22 ILE 13 6.740 7.151 7.151
417 3HG2 ILE 13 HG21 ILE 13 5.453 5.949 5.949
418 1HD1 ILE 13 HD13 ILE 13 5.700 4.203 4.203
419 2HD1 ILE 13 HD12 ILE 13 7.296 3.471 3.471
420 3HD1 ILE 13 HD11 ILE 13 7.015 4.688 4.688
421 H GLU 14 HN GLU 14 7.090 9.171 9.171
422 HA GLU 14 HA GLU 14 5.649 7.580 7.580
423 1HB GLU 14 HB2 GLU 14 8.466 8.631 8.631
424 2HB GLU 14 HB1 GLU 14 7.755 7.868 7.868
425 1HG GLU 14 HG2 GLU 14 7.581 6.442 6.442
426 2HG GLU 14 HG1 GLU 14 9.132 6.448 6.448
427 1H CYS 1 HT3 CYS 1 26.665 -3.546 -3.546
428 2H CYS 1 HT2 CYS 1 27.595 -3.108 -3.108
429 3H CYS 1 HT1 CYS 1 27.022 -4.699 -4.699
430 HA CYS 1 HA CYS 1 24.969 -4.196 -4.196
431 1HB CYS 1 HB2 CYS 1 26.747 -1.881 -1.881
432 2HB CYS 1 HB1 CYS 1 25.198 -2.246 -2.246
433 H TYR 2 HN TYR 2 24.325 -3.759 -3.759
434 HA TYR 2 HA TYR 2 22.490 -1.624 -1.624
435 1HB TYR 2 HB2 TYR 2 23.698 0.159 0.159
436 2HB TYR 2 HB1 TYR 2 25.101 -0.717 -0.717
437 HD1 TYR 2 HD1 TYR 2 26.813 -1.218 -1.218
438 HD2 TYR 2 HD2 TYR 2 22.861 -0.548 -0.548
439 HE1 TYR 2 HE1 TYR 2 27.668 -1.438 -1.438
440 HE2 TYR 2 HE2 TYR 2 23.708 -0.766 -0.766
441 HH TYR 2 HH TYR 2 26.955 -1.858 -1.858
442 H LEU 3 HN LEU 3 24.656 -3.810 -3.810
443 HA LEU 3 HA LEU 3 23.537 -4.012 -4.012
444 1HB LEU 3 HB2 LEU 3 24.821 -5.806 -5.806
445 2HB LEU 3 HB1 LEU 3 24.045 -6.589 -6.589
446 HG LEU 3 HG LEU 3 25.345 -5.170 -5.170
447 1HD1 LEU 3 HD11 LEU 3 25.527 -3.283 -3.283
448 2HD1 LEU 3 HD13 LEU 3 26.816 -4.212 -4.212
449 3HD1 LEU 3 HD12 LEU 3 27.007 -3.638 -3.638
450 1HD2 LEU 3 HD22 LEU 3 26.542 -7.030 -7.030
451 2HD2 LEU 3 HD21 LEU 3 26.614 -7.054 -7.054
452 3HD2 LEU 3 HD23 LEU 3 27.702 -6.009 -6.009
453 H ARG 4 HN ARG 4 22.629 -5.957 -5.957
454 HA ARG 4 HA ARG 4 20.322 -7.184 -7.184
455 1HB ARG 4 HB2 ARG 4 19.688 -7.264 -7.264
456 2HB ARG 4 HB1 ARG 4 21.438 -7.432 -7.432
457 1HG ARG 4 HG2 ARG 4 20.301 -4.679 -4.679
458 2HG ARG 4 HG1 ARG 4 20.352 -5.721 -5.721
459 1HD ARG 4 HD2 ARG 4 22.829 -6.134 -6.134
460 2HD ARG 4 HD1 ARG 4 22.661 -4.719 -4.719
461 HE ARG 4 HE ARG 4 22.743 -3.425 -3.425
462 1HH1 ARG 4 HH11 ARG 4 23.546 -5.614 -5.614
463 2HH1 ARG 4 HH12 ARG 4 22.237 -5.680 -5.680
464 1HH2 ARG 4 HH21 ARG 4 20.056 -3.885 -3.885
465 2HH2 ARG 4 HH22 ARG 4 20.261 -4.703 -4.703
466 H ARG 5 HN ARG 5 20.879 -3.819 -3.819
467 HA ARG 5 HA ARG 5 17.995 -3.172 -3.172
468 1HB ARG 5 HB2 ARG 5 18.610 -1.404 -1.404
469 2HB ARG 5 HB1 ARG 5 20.184 -2.183 -2.183
470 1HG ARG 5 HG2 ARG 5 20.663 -0.966 -0.966
471 2HG ARG 5 HG1 ARG 5 19.317 0.068 0.068
472 1HD ARG 5 HD2 ARG 5 21.148 -0.347 -0.347
473 2HD ARG 5 HD1 ARG 5 21.972 0.354 0.354
474 HE ARG 5 HE ARG 5 19.426 1.502 1.502
475 1HH1 ARG 5 HH21 ARG 5 22.548 2.212 2.212
476 2HH1 ARG 5 HH22 ARG 5 22.570 3.726 3.726
477 1HH2 ARG 5 HH11 ARG 5 19.460 3.267 3.267
478 2HH2 ARG 5 HH12 ARG 5 20.825 4.322 4.322
479 H PHE 6 HN PHE 6 20.854 -3.152 -3.152
480 HA PHE 6 HA PHE 6 19.650 -1.337 -1.337
481 1HB PHE 6 HB2 PHE 6 21.838 -0.875 -0.875
482 2HB PHE 6 HB1 PHE 6 22.243 -2.211 -2.211
483 HD1 PHE 6 HD1 PHE 6 22.609 -4.481 -4.481
484 HD2 PHE 6 HD2 PHE 6 22.071 -1.030 -1.030
485 HE1 PHE 6 HE1 PHE 6 23.567 -5.707 -5.707
486 HE2 PHE 6 HE2 PHE 6 23.026 -2.255 -2.255
487 HZ PHE 6 HZ PHE 6 23.781 -4.605 -4.605
488 H PHE 7 HN PHE 7 20.747 -4.760 -4.760
489 HA PHE 7 HA PHE 7 19.769 -5.313 -5.313
490 1HB PHE 7 HB2 PHE 7 20.853 -7.303 -7.303
491 2HB PHE 7 HB1 PHE 7 21.557 -6.433 -6.433
492 HD1 PHE 7 HD1 PHE 7 18.546 -8.515 -8.515
493 HD2 PHE 7 HD2 PHE 7 21.423 -7.370 -7.370
494 HE1 PHE 7 HE1 PHE 7 17.600 -10.194 -10.194
495 HE2 PHE 7 HE2 PHE 7 20.476 -9.044 -9.044
496 HZ PHE 7 HZ PHE 7 18.563 -10.460 -10.460
497 H LYS 8 HN LYS 8 18.329 -5.273 -5.273
498 HA LYS 8 HA LYS 8 16.178 -7.062 -7.062
499 1HB LYS 8 HB2 LYS 8 17.003 -4.929 -4.929
500 2HB LYS 8 HB1 LYS 8 15.254 -4.956 -4.956
501 1HG LYS 8 HG2 LYS 8 15.410 -7.483 -7.483
502 2HG LYS 8 HG1 LYS 8 17.050 -7.168 -7.168
503 1HD LYS 8 HD2 LYS 8 15.475 -5.214 -5.214
504 2HD LYS 8 HD1 LYS 8 14.519 -6.692 -6.692
505 1HE LYS 8 HE2 LYS 8 16.936 -7.702 -7.702
506 2HE LYS 8 HE1 LYS 8 17.123 -6.045 -6.045
507 1HZ LYS 8 HZ1 LYS 8 14.721 -7.717 -7.717
508 2HZ LYS 8 HZ3 LYS 8 16.014 -7.597 -7.597
509 3HZ LYS 8 HZ2 LYS 8 15.099 -6.218 -6.218
510 H ALA 9 HN ALA 9 16.273 -3.521 -3.521
511 HA ALA 9 HA ALA 9 13.666 -3.373 -3.373
512 1HB ALA 9 HB3 ALA 9 15.329 -1.605 -1.605
513 2HB ALA 9 HB2 ALA 9 15.868 -1.426 -1.426
514 3HB ALA 9 HB1 ALA 9 14.186 -1.105 -1.105
515 H LYS 10 HN LYS 10 16.801 -4.251 -4.251
516 HA LYS 10 HA LYS 10 16.559 -3.684 -3.684
517 1HB LYS 10 HB2 LYS 10 18.520 -4.418 -4.418
518 2HB LYS 10 HB1 LYS 10 18.008 -6.029 -6.029
519 1HG LYS 10 HG2 LYS 10 19.411 -5.676 -5.676
520 2HG LYS 10 HG1 LYS 10 18.042 -4.772 -4.772
521 1HD LYS 10 HD2 LYS 10 19.153 -2.856 -2.856
522 2HD LYS 10 HD1 LYS 10 20.600 -3.777 -3.777
523 1HE LYS 10 HE2 LYS 10 20.614 -2.698 -2.698
524 2HE LYS 10 HE1 LYS 10 19.111 -3.550 -3.550
525 1HZ LYS 10 HZ3 LYS 10 17.962 -1.824 -1.824
526 2HZ LYS 10 HZ2 LYS 10 19.412 -0.941 -0.941
527 3HZ LYS 10 HZ1 LYS 10 18.580 -1.269 -1.269
528 H LYS 11 HN LYS 11 16.334 -6.888 -6.888
529 HA LYS 11 HA LYS 11 15.293 -8.352 -8.352
530 1HB LYS 11 HB2 LYS 11 14.760 -9.906 -9.906
531 2HB LYS 11 HB1 LYS 11 15.869 -8.858 -8.858
532 1HG LYS 11 HG2 LYS 11 14.092 -8.943 -8.943
533 2HG LYS 11 HG1 LYS 11 13.664 -7.518 -7.518
534 1HD LYS 11 HD2 LYS 11 11.668 -8.697 -8.697
535 2HD LYS 11 HD1 LYS 11 12.484 -9.300 -9.300
536 1HE LYS 11 HE2 LYS 11 12.588 -11.406 -11.406
537 2HE LYS 11 HE1 LYS 11 13.216 -10.822 -10.822
538 1HZ LYS 11 HZ3 LYS 11 10.384 -10.637 -10.637
539 2HZ LYS 11 HZ2 LYS 11 10.984 -11.769 -11.769
540 3HZ LYS 11 HZ1 LYS 11 10.999 -10.111 -10.111
541 H LEU 12 HN LEU 12 13.609 -5.974 -5.974
542 HA LEU 12 HA LEU 12 10.941 -6.601 -6.601
543 1HB LEU 12 HB2 LEU 12 12.425 -4.292 -4.292
544 2HB LEU 12 HB1 LEU 12 10.766 -4.036 -4.036
545 HG LEU 12 HG LEU 12 11.674 -6.188 -6.188
546 1HD1 LEU 12 HD13 LEU 12 10.342 -3.503 -3.503
547 2HD1 LEU 12 HD12 LEU 12 10.114 -4.783 -4.783
548 3HD1 LEU 12 HD11 LEU 12 11.731 -4.156 -4.156
549 1HD2 LEU 12 HD22 LEU 12 9.356 -5.961 -5.961
550 2HD2 LEU 12 HD21 LEU 12 9.699 -7.179 -7.179
551 3HD2 LEU 12 HD23 LEU 12 8.857 -5.694 -5.694
552 H ILE 13 HN ILE 13 13.555 -5.308 -5.308
553 HA ILE 13 HA ILE 13 11.721 -4.518 -4.518
554 HB ILE 13 HB ILE 13 13.353 -2.514 -2.514
555 1HG1 ILE 13 HG12 ILE 13 13.869 -1.820 -1.820
556 2HG1 ILE 13 HG11 ILE 13 14.099 -3.557 -3.557
557 1HG2 ILE 13 HG21 ILE 13 11.313 -2.646 -2.646
558 2HG2 ILE 13 HG23 ILE 13 11.978 -1.145 -1.145
559 3HG2 ILE 13 HG22 ILE 13 11.016 -2.199 -2.199
560 1HD1 ILE 13 HD11 ILE 13 15.363 -1.929 -1.929
561 2HD1 ILE 13 HD13 ILE 13 16.161 -2.180 -2.180
562 3HD1 ILE 13 HD12 ILE 13 15.781 -3.561 -3.561
563 H GLU 14 HN GLU 14 13.212 -6.818 -6.818
564 HA GLU 14 HA GLU 14 15.317 -6.380 -6.380
565 1HB GLU 14 HB2 GLU 14 15.098 -8.234 -8.234
566 2HB GLU 14 HB1 GLU 14 16.439 -8.270 -8.270
567 1HG GLU 14 HG2 GLU 14 15.760 -5.621 -5.621
568 2HG GLU 14 HG1 GLU 14 16.456 -6.776 -6.776
Start of MODEL 8
1 1H CYS 1 HT2 CYS 1 3.496 -1.731 -1.731
2 2H CYS 1 HT1 CYS 1 2.526 -0.757 -0.757
3 3H CYS 1 HT3 CYS 1 1.804 -1.836 -1.836
4 HA CYS 1 HA CYS 1 2.378 -0.555 -0.555
5 1HB CYS 1 HB2 CYS 1 1.742 1.269 1.269
6 2HB CYS 1 HB1 CYS 1 1.421 1.637 1.637
7 H TYR 2 HN TYR 2 4.570 -0.350 -0.350
8 HA TYR 2 HA TYR 2 6.183 1.708 1.708
9 1HB TYR 2 HB2 TYR 2 6.996 2.345 2.345
10 2HB TYR 2 HB1 TYR 2 5.353 1.844 1.844
11 HD1 TYR 2 HD1 TYR 2 8.875 0.699 0.699
12 HD2 TYR 2 HD2 TYR 2 4.954 -0.045 -0.045
13 HE1 TYR 2 HE1 TYR 2 9.788 -1.107 -1.107
14 HE2 TYR 2 HE2 TYR 2 5.867 -1.855 -1.855
15 HH TYR 2 HH TYR 2 8.498 -2.270 -2.270
16 H LEU 3 HN LEU 3 5.894 -1.590 -1.590
17 HA LEU 3 HA LEU 3 8.468 -2.586 -2.586
18 1HB LEU 3 HB2 LEU 3 5.887 -3.475 -3.475
19 2HB LEU 3 HB1 LEU 3 7.249 -4.410 -4.410
20 HG LEU 3 HG LEU 3 7.962 -4.774 -4.774
21 1HD1 LEU 3 HD11 LEU 3 6.792 -2.525 -2.525
22 2HD1 LEU 3 HD13 LEU 3 5.429 -3.590 -3.590
23 3HD1 LEU 3 HD12 LEU 3 6.961 -3.832 -3.832
24 1HD2 LEU 3 HD22 LEU 3 5.335 -5.600 -5.600
25 2HD2 LEU 3 HD21 LEU 3 6.648 -6.590 -6.590
26 3HD2 LEU 3 HD23 LEU 3 5.524 -5.798 -5.798
27 H ARG 4 HN ARG 4 6.734 -2.577 -2.577
28 HA ARG 4 HA ARG 4 8.825 -2.932 -2.932
29 1HB ARG 4 HB2 ARG 4 7.391 -1.693 -1.693
30 2HB ARG 4 HB1 ARG 4 6.394 -2.686 -2.686
31 1HG ARG 4 HG2 ARG 4 6.995 0.164 0.164
32 2HG ARG 4 HG1 ARG 4 5.721 -0.189 -0.189
33 1HD ARG 4 HD2 ARG 4 5.878 -0.930 -0.930
34 2HD ARG 4 HD1 ARG 4 4.547 -0.181 -0.181
35 HE ARG 4 HE ARG 4 4.957 -3.008 -3.008
36 1HH1 ARG 4 HH21 ARG 4 3.159 -0.622 -0.622
37 2HH1 ARG 4 HH22 ARG 4 2.635 -1.609 -1.609
38 1HH2 ARG 4 HH11 ARG 4 4.705 -4.267 -4.267
39 2HH2 ARG 4 HH12 ARG 4 3.511 -3.669 -3.669
40 H ARG 5 HN ARG 5 8.034 -0.074 -0.074
41 HA ARG 5 HA ARG 5 10.007 1.612 1.612
42 1HB ARG 5 HB2 ARG 5 8.032 1.852 1.852
43 2HB ARG 5 HB1 ARG 5 9.320 3.047 3.047
44 1HG ARG 5 HG2 ARG 5 8.197 4.128 4.128
45 2HG ARG 5 HG1 ARG 5 8.340 2.701 2.701
46 1HD ARG 5 HD2 ARG 5 6.010 2.915 2.915
47 2HD ARG 5 HD1 ARG 5 6.335 1.822 1.822
48 HE ARG 5 HE ARG 5 6.410 3.889 3.889
49 1HH1 ARG 5 HH21 ARG 5 6.131 5.393 5.393
50 2HH1 ARG 5 HH22 ARG 5 4.567 6.097 6.097
51 1HH2 ARG 5 HH11 ARG 5 3.848 4.173 4.173
52 2HH2 ARG 5 HH12 ARG 5 3.276 5.407 5.407
53 H PHE 6 HN PHE 6 9.747 -0.110 -0.110
54 HA PHE 6 HA PHE 6 12.368 0.784 0.784
55 1HB PHE 6 HB2 PHE 6 10.815 0.400 0.400
56 2HB PHE 6 HB1 PHE 6 10.178 -1.018 -1.018
57 HD1 PHE 6 HD1 PHE 6 12.891 0.310 0.310
58 HD2 PHE 6 HD2 PHE 6 11.200 -3.175 -3.175
59 HE1 PHE 6 HE1 PHE 6 14.338 -1.120 -1.120
60 HE2 PHE 6 HE2 PHE 6 12.648 -4.609 -4.609
61 HZ PHE 6 HZ PHE 6 14.230 -3.592 -3.592
62 H PHE 7 HN PHE 7 10.940 -2.288 -2.288
63 HA PHE 7 HA PHE 7 13.194 -3.922 -3.922
64 1HB PHE 7 HB2 PHE 7 10.615 -3.855 -3.855
65 2HB PHE 7 HB1 PHE 7 11.770 -4.475 -4.475
66 HD1 PHE 7 HD1 PHE 7 13.737 -5.894 -5.894
67 HD2 PHE 7 HD2 PHE 7 9.530 -5.625 -5.625
68 HE1 PHE 7 HE1 PHE 7 13.844 -8.040 -8.040
69 HE2 PHE 7 HE2 PHE 7 9.632 -7.782 -7.782
70 HZ PHE 7 HZ PHE 7 11.791 -8.992 -8.992
71 H LYS 8 HN LYS 8 12.170 -1.747 -1.747
72 HA LYS 8 HA LYS 8 14.190 -2.237 -2.237
73 1HB LYS 8 HB2 LYS 8 12.209 -0.300 -0.300
74 2HB LYS 8 HB1 LYS 8 13.693 0.559 0.559
75 1HG LYS 8 HG2 LYS 8 13.883 -0.623 -0.623
76 2HG LYS 8 HG1 LYS 8 12.525 -1.668 -1.668
77 1HD LYS 8 HD2 LYS 8 11.859 0.163 0.163
78 2HD LYS 8 HD1 LYS 8 11.006 0.251 0.251
79 1HE LYS 8 HE2 LYS 8 12.395 2.044 2.044
80 2HE LYS 8 HE1 LYS 8 13.549 1.810 1.810
81 1HZ LYS 8 HZ1 LYS 8 11.287 2.070 2.070
82 2HZ LYS 8 HZ3 LYS 8 10.918 3.057 3.057
83 3HZ LYS 8 HZ2 LYS 8 12.288 3.388 3.388
84 H ALA 9 HN ALA 9 14.383 -0.761 -0.761
85 HA ALA 9 HA ALA 9 17.056 0.360 0.360
86 1HB ALA 9 HB2 ALA 9 15.277 1.567 1.567
87 2HB ALA 9 HB1 ALA 9 15.321 0.266 0.266
88 3HB ALA 9 HB3 ALA 9 16.737 1.291 1.291
89 H LYS 10 HN LYS 10 15.417 -2.033 -2.033
90 HA LYS 10 HA LYS 10 17.500 -3.101 -3.101
91 1HB LYS 10 HB2 LYS 10 15.008 -3.671 -3.671
92 2HB LYS 10 HB1 LYS 10 15.473 -4.738 -4.738
93 1HG LYS 10 HG2 LYS 10 15.554 -6.162 -6.162
94 2HG LYS 10 HG1 LYS 10 17.235 -5.667 -5.667
95 1HD LYS 10 HD2 LYS 10 17.249 -4.490 -4.490
96 2HD LYS 10 HD1 LYS 10 15.637 -3.834 -3.834
97 1HE LYS 10 HE2 LYS 10 14.679 -5.404 -5.404
98 2HE LYS 10 HE1 LYS 10 15.565 -6.713 -6.713
99 1HZ LYS 10 HZ2 LYS 10 16.888 -4.822 -4.822
100 2HZ LYS 10 HZ1 LYS 10 16.181 -6.267 -6.267
101 3HZ LYS 10 HZ3 LYS 10 17.463 -6.319 -6.319
102 H LYS 11 HN LYS 11 16.595 -3.987 -3.987
103 HA LYS 11 HA LYS 11 18.501 -5.955 -5.955
104 1HB LYS 11 HB2 LYS 11 17.527 -3.668 -3.668
105 2HB LYS 11 HB1 LYS 11 18.317 -5.123 -5.123
106 1HG LYS 11 HG2 LYS 11 15.994 -5.530 -5.530
107 2HG LYS 11 HG1 LYS 11 15.641 -4.917 -4.917
108 1HD LYS 11 HD2 LYS 11 16.927 -6.796 -6.796
109 2HD LYS 11 HD1 LYS 11 17.230 -7.420 -7.420
110 1HE LYS 11 HE2 LYS 11 14.742 -7.580 -7.580
111 2HE LYS 11 HE1 LYS 11 14.529 -7.131 -7.131
112 1HZ LYS 11 HZ1 LYS 11 16.348 -8.981 -8.981
113 2HZ LYS 11 HZ3 LYS 11 15.702 -9.563 -9.563
114 3HZ LYS 11 HZ2 LYS 11 14.700 -9.386 -9.386
115 H LEU 12 HN LEU 12 18.944 -2.490 -2.490
116 HA LEU 12 HA LEU 12 21.594 -2.353 -2.353
117 1HB LEU 12 HB2 LEU 12 20.242 -0.536 -0.536
118 2HB LEU 12 HB1 LEU 12 21.516 -0.098 -0.098
119 HG LEU 12 HG LEU 12 18.653 -0.852 -0.852
120 1HD1 LEU 12 HD13 LEU 12 20.024 1.595 1.595
121 2HD1 LEU 12 HD12 LEU 12 19.742 1.444 1.444
122 3HD1 LEU 12 HD11 LEU 12 18.385 1.368 1.368
123 1HD2 LEU 12 HD22 LEU 12 21.114 -0.842 -0.842
124 2HD2 LEU 12 HD21 LEU 12 19.788 -2.004 -2.004
125 3HD2 LEU 12 HD23 LEU 12 19.550 -0.416 -0.416
126 H ILE 13 HN ILE 13 20.404 -3.673 -3.673
127 HA ILE 13 HA ILE 13 23.159 -3.730 -3.730
128 HB ILE 13 HB ILE 13 21.970 -3.402 -3.402
129 1HG1 ILE 13 HG12 ILE 13 20.049 -1.580 -1.580
130 2HG1 ILE 13 HG11 ILE 13 19.778 -2.976 -2.976
131 1HG2 ILE 13 HG22 ILE 13 23.529 -1.789 -1.789
132 2HG2 ILE 13 HG21 ILE 13 22.115 -1.034 -1.034
133 3HG2 ILE 13 HG23 ILE 13 22.310 -1.017 -1.017
134 1HD1 ILE 13 HD12 ILE 13 20.160 -3.276 -3.276
135 2HD1 ILE 13 HD11 ILE 13 18.572 -2.947 -2.947
136 3HD1 ILE 13 HD13 ILE 13 19.439 -4.421 -4.421
137 H GLU 14 HN GLU 14 21.950 -5.769 -5.769
138 HA GLU 14 HA GLU 14 21.418 -7.743 -7.743
139 1HB GLU 14 HB2 GLU 14 20.179 -7.286 -7.286
140 2HB GLU 14 HB1 GLU 14 19.803 -8.681 -8.681
141 1HG GLU 14 HG2 GLU 14 19.655 -5.993 -5.993
142 2HG GLU 14 HG1 GLU 14 18.387 -6.391 -6.391
143 1H CYS 1 HT2 CYS 1 -0.380 0.620 0.620
144 2H CYS 1 HT1 CYS 1 -1.148 -0.276 -0.276
145 3H CYS 1 HT3 CYS 1 -0.519 -1.068 -1.068
146 HA CYS 1 HA CYS 1 1.169 -1.490 -1.490
147 1HB CYS 1 HB2 CYS 1 0.114 1.090 1.090
148 2HB CYS 1 HB1 CYS 1 1.702 0.505 0.505
149 H TYR 2 HN TYR 2 1.915 -1.098 -1.098
150 HA TYR 2 HA TYR 2 4.366 0.329 0.329
151 1HB TYR 2 HB2 TYR 2 3.825 2.424 2.424
152 2HB TYR 2 HB1 TYR 2 2.237 2.048 2.048
153 HD1 TYR 2 HD1 TYR 2 0.368 2.107 2.107
154 HD2 TYR 2 HD2 TYR 2 4.272 1.613 1.613
155 HE1 TYR 2 HE1 TYR 2 -0.610 2.219 2.219
156 HE2 TYR 2 HE2 TYR 2 3.308 1.718 1.718
157 HH TYR 2 HH TYR 2 0.142 1.297 1.297
158 H LEU 3 HN LEU 3 1.671 -1.030 -1.030
159 HA LEU 3 HA LEU 3 2.724 -1.378 -1.378
160 1HB LEU 3 HB2 LEU 3 0.993 -2.885 -2.885
161 2HB LEU 3 HB1 LEU 3 1.576 -3.782 -3.782
162 HG LEU 3 HG LEU 3 0.701 -2.071 -2.071
163 1HD1 LEU 3 HD12 LEU 3 1.074 -0.160 -0.160
164 2HD1 LEU 3 HD11 LEU 3 -0.297 -0.712 -0.712
165 3HD1 LEU 3 HD13 LEU 3 -0.547 -0.157 -0.157
166 1HD2 LEU 3 HD21 LEU 3 -0.788 -3.885 -3.885
167 2HD2 LEU 3 HD23 LEU 3 -1.429 -2.879 -2.879
168 3HD2 LEU 3 HD22 LEU 3 -1.643 -2.391 -2.391
169 H ARG 4 HN ARG 4 2.996 -3.802 -3.802
170 HA ARG 4 HA ARG 4 5.000 -5.441 -5.441
171 1HB ARG 4 HB2 ARG 4 5.545 -5.799 -5.799
172 2HB ARG 4 HB1 ARG 4 3.803 -5.647 -5.647
173 1HG ARG 4 HG2 ARG 4 5.474 -3.224 -3.224
174 2HG ARG 4 HG1 ARG 4 4.930 -4.311 -4.311
175 1HD ARG 4 HD2 ARG 4 2.573 -4.025 -4.025
176 2HD ARG 4 HD1 ARG 4 3.298 -2.538 -2.538
177 HE ARG 4 HE ARG 4 3.354 -1.660 -1.660
178 1HH1 ARG 4 HH11 ARG 4 1.665 -4.571 -4.571
179 2HH1 ARG 4 HH12 ARG 4 1.792 -4.874 -4.874
180 1HH2 ARG 4 HH21 ARG 4 3.974 -2.248 -2.248
181 2HH2 ARG 4 HH22 ARG 4 3.093 -3.562 -3.562
182 H ARG 5 HN ARG 5 5.292 -2.135 -2.135
183 HA ARG 5 HA ARG 5 8.222 -2.160 -2.160
184 1HB ARG 5 HB2 ARG 5 7.505 -0.672 -0.672
185 2HB ARG 5 HB1 ARG 5 6.035 -0.316 -0.316
186 1HG ARG 5 HG2 ARG 5 8.508 0.578 0.578
187 2HG ARG 5 HG1 ARG 5 8.158 1.391 1.391
188 1HD ARG 5 HD2 ARG 5 5.676 1.326 1.326
189 2HD ARG 5 HD1 ARG 5 6.811 1.670 1.670
190 HE ARG 5 HE ARG 5 7.496 3.210 3.210
191 1HH1 ARG 5 HH11 ARG 5 6.900 3.730 3.730
192 2HH1 ARG 5 HH12 ARG 5 5.835 5.084 5.084
193 1HH2 ARG 5 HH21 ARG 5 5.410 4.642 4.642
194 2HH2 ARG 5 HH22 ARG 5 4.991 5.600 5.600
195 H PHE 6 HN PHE 6 5.626 -0.641 -0.641
196 HA PHE 6 HA PHE 6 7.361 0.419 0.419
197 1HB PHE 6 HB2 PHE 6 5.330 1.482 1.482
198 2HB PHE 6 HB1 PHE 6 4.490 0.015 0.015
199 HD1 PHE 6 HD1 PHE 6 5.519 2.134 2.134
200 HD2 PHE 6 HD2 PHE 6 3.939 -1.708 -1.708
201 HE1 PHE 6 HE1 PHE 6 4.754 1.826 1.826
202 HE2 PHE 6 HE2 PHE 6 3.172 -2.026 -2.026
203 HZ PHE 6 HZ PHE 6 3.575 -0.260 -0.260
204 H PHE 7 HN PHE 7 5.207 -2.440 -2.440
205 HA PHE 7 HA PHE 7 5.832 -3.487 -3.487
206 1HB PHE 7 HB2 PHE 7 4.481 -4.209 -4.209
207 2HB PHE 7 HB1 PHE 7 5.347 -5.604 -5.604
208 HD1 PHE 7 HD1 PHE 7 2.227 -4.348 -4.348
209 HD2 PHE 7 HD2 PHE 7 5.307 -5.279 -5.279
210 HE1 PHE 7 HE1 PHE 7 0.517 -4.588 -4.588
211 HE2 PHE 7 HE2 PHE 7 3.609 -5.516 -5.516
212 HZ PHE 7 HZ PHE 7 1.205 -5.172 -5.172
213 H LYS 8 HN LYS 8 7.419 -3.998 -3.998
214 HA LYS 8 HA LYS 8 9.177 -6.050 -6.050
215 1HB LYS 8 HB2 LYS 8 8.983 -3.773 -3.773
216 2HB LYS 8 HB1 LYS 8 10.666 -4.083 -4.083
217 1HG LYS 8 HG2 LYS 8 8.924 -6.393 -6.393
218 2HG LYS 8 HG1 LYS 8 9.538 -5.338 -5.338
219 1HD LYS 8 HD2 LYS 8 11.409 -6.607 -6.607
220 2HD LYS 8 HD1 LYS 8 11.764 -5.724 -5.724
221 1HE LYS 8 HE2 LYS 8 11.145 -7.489 -7.489
222 2HE LYS 8 HE1 LYS 8 9.944 -8.092 -8.092
223 1HZ LYS 8 HZ3 LYS 8 11.748 -8.729 -8.729
224 2HZ LYS 8 HZ2 LYS 8 12.894 -8.182 -8.182
225 3HZ LYS 8 HZ1 LYS 8 11.904 -9.511 -9.511
226 H ALA 9 HN ALA 9 9.209 -2.807 -2.807
227 HA ALA 9 HA ALA 9 11.879 -3.070 -3.070
228 1HB ALA 9 HB1 ALA 9 9.654 -1.021 -1.021
229 2HB ALA 9 HB3 ALA 9 11.252 -0.821 -0.821
230 3HB ALA 9 HB2 ALA 9 11.080 -0.908 -0.908
231 H LYS 10 HN LYS 10 8.527 -3.403 -3.403
232 HA LYS 10 HA LYS 10 8.720 -3.469 -3.469
233 1HB LYS 10 HB2 LYS 10 6.811 -3.473 -3.473
234 2HB LYS 10 HB1 LYS 10 6.819 -5.171 -5.171
235 1HG LYS 10 HG2 LYS 10 5.278 -4.332 -4.332
236 2HG LYS 10 HG1 LYS 10 6.770 -4.232 -4.232
237 1HD LYS 10 HD2 LYS 10 7.007 -1.862 -1.862
238 2HD LYS 10 HD1 LYS 10 5.307 -2.024 -2.024
239 1HE LYS 10 HE2 LYS 10 6.329 -2.467 -2.467
240 2HE LYS 10 HE1 LYS 10 5.680 -0.918 -0.918
241 1HZ LYS 10 HZ2 LYS 10 3.704 -2.193 -2.193
242 2HZ LYS 10 HZ1 LYS 10 4.296 -3.543 -3.543
243 3HZ LYS 10 HZ3 LYS 10 3.864 -2.139 -2.139
244 H LYS 11 HN LYS 11 8.245 -6.254 -6.254
245 HA LYS 11 HA LYS 11 8.747 -8.341 -8.341
246 1HB LYS 11 HB2 LYS 11 9.063 -7.785 -7.785
247 2HB LYS 11 HB1 LYS 11 9.999 -9.161 -9.161
248 1HG LYS 11 HG2 LYS 11 7.180 -8.969 -8.969
249 2HG LYS 11 HG1 LYS 11 7.426 -9.388 -9.388
250 1HD LYS 11 HD2 LYS 11 9.130 -10.806 -10.806
251 2HD LYS 11 HD1 LYS 11 7.422 -11.241 -11.241
252 1HE LYS 11 HE2 LYS 11 7.599 -11.613 -11.613
253 2HE LYS 11 HE1 LYS 11 9.344 -11.304 -11.304
254 1HZ LYS 11 HZ1 LYS 11 9.435 -13.033 -13.033
255 2HZ LYS 11 HZ3 LYS 11 7.809 -13.403 -13.403
256 3HZ LYS 11 HZ2 LYS 11 8.979 -13.648 -13.648
257 H LEU 12 HN LEU 12 11.133 -6.213 -6.213
258 HA LEU 12 HA LEU 12 13.474 -7.657 -7.657
259 1HB LEU 12 HB2 LEU 12 12.792 -4.777 -4.777
260 2HB LEU 12 HB1 LEU 12 14.451 -5.264 -5.264
261 HG LEU 12 HG LEU 12 12.703 -6.325 -6.325
262 1HD1 LEU 12 HD13 LEU 12 14.751 -4.230 -4.230
263 2HD1 LEU 12 HD12 LEU 12 15.067 -5.385 -5.385
264 3HD1 LEU 12 HD11 LEU 12 13.547 -4.491 -4.491
265 1HD2 LEU 12 HD23 LEU 12 15.376 -7.182 -7.182
266 2HD2 LEU 12 HD22 LEU 12 13.995 -8.183 -8.183
267 3HD2 LEU 12 HD21 LEU 12 14.985 -7.436 -7.436
268 H ILE 13 HN ILE 13 11.250 -5.969 -5.969
269 HA ILE 13 HA ILE 13 13.086 -6.327 -6.327
270 HB ILE 13 HB ILE 13 12.243 -3.913 -3.913
271 1HG1 ILE 13 HG12 ILE 13 12.554 -2.997 -2.997
272 2HG1 ILE 13 HG11 ILE 13 11.214 -4.137 -4.137
273 1HG2 ILE 13 HG22 ILE 13 14.605 -4.711 -4.711
274 2HG2 ILE 13 HG21 ILE 13 14.369 -4.188 -4.188
275 3HG2 ILE 13 HG23 ILE 13 14.304 -3.010 -3.010
276 1HD1 ILE 13 HD13 ILE 13 10.859 -2.619 -2.619
277 2HD1 ILE 13 HD12 ILE 13 11.402 -1.437 -1.437
278 3HD1 ILE 13 HD11 ILE 13 9.972 -2.420 -2.420
279 H GLU 14 HN GLU 14 10.921 -7.871 -7.871
280 HA GLU 14 HA GLU 14 9.005 -6.999 -6.999
281 1HB GLU 14 HB2 GLU 14 8.614 -8.336 -8.336
282 2HB GLU 14 HB1 GLU 14 7.310 -8.089 -8.089
283 1HG GLU 14 HG2 GLU 14 9.005 -5.751 -5.751
284 2HG GLU 14 HG1 GLU 14 7.827 -6.302 -6.302
285 1H CYS 1 HT2 CYS 1 26.074 -2.674 -2.674
286 2H CYS 1 HT1 CYS 1 27.104 -1.341 -1.341
287 3H CYS 1 HT3 CYS 1 26.201 -1.939 -1.939
288 HA CYS 1 HA CYS 1 24.828 -0.204 -0.204
289 1HB CYS 1 HB2 CYS 1 24.760 0.580 0.580
290 2HB CYS 1 HB1 CYS 1 26.375 0.643 0.643
291 H TYR 2 HN TYR 2 22.747 -0.039 -0.039
292 HA TYR 2 HA TYR 2 21.435 -1.851 -1.851
293 1HB TYR 2 HB2 TYR 2 20.891 -3.649 -3.649
294 2HB TYR 2 HB1 TYR 2 22.307 -3.137 -3.137
295 HD1 TYR 2 HD1 TYR 2 22.087 -2.140 -2.140
296 HD2 TYR 2 HD2 TYR 2 18.641 -2.779 -2.779
297 HE1 TYR 2 HE1 TYR 2 20.625 -1.468 -1.468
298 HE2 TYR 2 HE2 TYR 2 17.170 -2.112 -2.112
299 HH TYR 2 HH TYR 2 18.492 -0.846 -0.846
300 H LEU 3 HN LEU 3 21.288 -0.069 -0.069
301 HA LEU 3 HA LEU 3 18.619 0.664 0.664
302 1HB LEU 3 HB2 LEU 3 20.288 1.147 1.147
303 2HB LEU 3 HB1 LEU 3 21.150 2.174 2.174
304 HG LEU 3 HG LEU 3 18.620 3.144 3.144
305 1HD1 LEU 3 HD13 LEU 3 19.293 2.426 2.426
306 2HD1 LEU 3 HD12 LEU 3 17.952 3.461 3.461
307 3HD1 LEU 3 HD11 LEU 3 17.968 1.756 1.756
308 1HD2 LEU 3 HD23 LEU 3 21.136 4.074 4.074
309 2HD2 LEU 3 HD22 LEU 3 19.686 5.075 5.075
310 3HD2 LEU 3 HD21 LEU 3 20.335 4.384 4.384
311 H ARG 4 HN ARG 4 21.272 2.304 2.304
312 HA ARG 4 HA ARG 4 19.877 4.381 4.381
313 1HB ARG 4 HB2 ARG 4 21.928 2.612 2.612
314 2HB ARG 4 HB1 ARG 4 21.709 4.351 4.351
315 1HG ARG 4 HG2 ARG 4 23.365 4.568 4.568
316 2HG ARG 4 HG1 ARG 4 22.165 4.072 4.072
317 1HD ARG 4 HD2 ARG 4 22.824 1.637 1.637
318 2HD ARG 4 HD1 ARG 4 24.242 2.357 2.357
319 HE ARG 4 HE ARG 4 24.037 2.045 2.045
320 1HH1 ARG 4 HH11 ARG 4 26.384 3.221 3.221
321 2HH1 ARG 4 HH12 ARG 4 26.528 4.779 4.779
322 1HH2 ARG 4 HH21 ARG 4 23.401 4.645 4.645
323 2HH2 ARG 4 HH22 ARG 4 24.836 5.586 5.586
324 H ARG 5 HN ARG 5 19.921 0.946 0.946
325 HA ARG 5 HA ARG 5 18.357 1.071 1.071
326 1HB ARG 5 HB2 ARG 5 19.258 -0.975 -0.975
327 2HB ARG 5 HB1 ARG 5 20.169 -0.669 -0.669
328 1HG ARG 5 HG2 ARG 5 18.018 -1.550 -1.550
329 2HG ARG 5 HG1 ARG 5 17.632 -2.246 -2.246
330 1HD ARG 5 HD2 ARG 5 20.410 -2.758 -2.758
331 2HD ARG 5 HD1 ARG 5 19.344 -3.364 -3.364
332 HE ARG 5 HE ARG 5 18.137 -4.030 -4.030
333 1HH1 ARG 5 HH11 ARG 5 20.801 -4.830 -4.830
334 2HH1 ARG 5 HH12 ARG 5 21.083 -6.364 -6.364
335 1HH2 ARG 5 HH21 ARG 5 18.578 -5.975 -5.975
336 2HH2 ARG 5 HH22 ARG 5 19.827 -7.012 -7.012
337 H PHE 6 HN PHE 6 17.755 0.637 0.637
338 HA PHE 6 HA PHE 6 15.020 -0.364 -0.364
339 1HB PHE 6 HB2 PHE 6 15.601 -1.392 -1.392
340 2HB PHE 6 HB1 PHE 6 17.013 -0.358 -0.358
341 HD1 PHE 6 HD1 PHE 6 13.506 -0.858 -0.858
342 HD2 PHE 6 HD2 PHE 6 16.945 1.661 1.661
343 HE1 PHE 6 HE1 PHE 6 12.429 0.280 0.280
344 HE2 PHE 6 HE2 PHE 6 15.870 2.804 2.804
345 HZ PHE 6 HZ PHE 6 13.603 2.122 2.122
346 H PHE 7 HN PHE 7 16.562 2.532 2.532
347 HA PHE 7 HA PHE 7 14.069 3.842 3.842
348 1HB PHE 7 HB2 PHE 7 15.444 5.312 5.312
349 2HB PHE 7 HB1 PHE 7 16.667 4.080 4.080
350 HD1 PHE 7 HD1 PHE 7 15.090 7.083 7.083
351 HD2 PHE 7 HD2 PHE 7 18.601 4.630 4.630
352 HE1 PHE 7 HE1 PHE 7 16.364 8.703 8.703
353 HE2 PHE 7 HE2 PHE 7 19.875 6.255 6.255
354 HZ PHE 7 HZ PHE 7 18.757 8.290 8.290
355 H LYS 8 HN LYS 8 16.154 3.692 3.692
356 HA LYS 8 HA LYS 8 15.317 6.010 6.010
357 1HB LYS 8 HB2 LYS 8 17.088 5.063 5.063
358 2HB LYS 8 HB1 LYS 8 16.682 3.480 3.480
359 1HG LYS 8 HG2 LYS 8 16.550 3.420 3.420
360 2HG LYS 8 HG1 LYS 8 14.938 3.253 3.253
361 1HD LYS 8 HD2 LYS 8 14.954 4.852 4.852
362 2HD LYS 8 HD1 LYS 8 14.499 5.638 5.638
363 1HE LYS 8 HE2 LYS 8 16.525 6.790 6.790
364 2HE LYS 8 HE1 LYS 8 17.397 5.599 5.599
365 1HZ LYS 8 HZ2 LYS 8 15.134 7.100 7.100
366 2HZ LYS 8 HZ1 LYS 8 16.674 7.814 7.814
367 3HZ LYS 8 HZ3 LYS 8 16.444 6.368 6.368
368 H ALA 9 HN ALA 9 14.101 2.655 2.655
369 HA ALA 9 HA ALA 9 11.950 3.216 3.216
370 1HB ALA 9 HB1 ALA 9 13.143 1.008 1.008
371 2HB ALA 9 HB3 ALA 9 11.906 1.033 1.033
372 3HB ALA 9 HB2 ALA 9 11.437 0.956 0.956
373 H LYS 10 HN LYS 10 12.391 3.614 3.614
374 HA LYS 10 HA LYS 10 9.649 3.677 3.677
375 1HB LYS 10 HB2 LYS 10 12.112 3.562 3.562
376 2HB LYS 10 HB1 LYS 10 11.648 5.228 5.228
377 1HG LYS 10 HG2 LYS 10 10.709 4.196 4.196
378 2HG LYS 10 HG1 LYS 10 9.356 4.116 4.116
379 1HD LYS 10 HD2 LYS 10 9.728 1.848 1.848
380 2HD LYS 10 HD1 LYS 10 11.392 1.902 1.902
381 1HE LYS 10 HE2 LYS 10 10.161 0.757 0.757
382 2HE LYS 10 HE1 LYS 10 10.377 2.409 2.409
383 1HZ LYS 10 HZ3 LYS 10 8.064 1.764 1.764
384 2HZ LYS 10 HZ2 LYS 10 8.011 1.389 1.389
385 3HZ LYS 10 HZ1 LYS 10 8.231 2.997 2.997
386 H LYS 11 HN LYS 11 11.989 6.377 6.377
387 HA LYS 11 HA LYS 11 10.300 8.542 8.542
388 1HB LYS 11 HB2 LYS 11 12.700 8.026 8.026
389 2HB LYS 11 HB1 LYS 11 11.973 9.627 9.627
390 1HG LYS 11 HG2 LYS 11 12.556 8.198 8.198
391 2HG LYS 11 HG1 LYS 11 13.938 8.812 8.812
392 1HD LYS 11 HD2 LYS 11 13.203 11.041 11.041
393 2HD LYS 11 HD1 LYS 11 11.547 10.566 10.566
394 1HE LYS 11 HE2 LYS 11 12.294 11.167 11.167
395 2HE LYS 11 HE1 LYS 11 12.755 9.452 9.452
396 1HZ LYS 11 HZ2 LYS 11 14.875 10.273 10.273
397 2HZ LYS 11 HZ1 LYS 11 14.442 11.814 11.814
398 3HZ LYS 11 HZ3 LYS 11 14.725 10.551 10.551
399 H LEU 12 HN LEU 12 10.707 6.473 6.473
400 HA LEU 12 HA LEU 12 9.378 8.043 8.043
401 1HB LEU 12 HB2 LEU 12 9.744 5.081 5.081
402 2HB LEU 12 HB1 LEU 12 8.981 5.716 5.716
403 HG LEU 12 HG LEU 12 11.771 6.380 6.380
404 1HD1 LEU 12 HD12 LEU 12 10.639 4.497 4.497
405 2HD1 LEU 12 HD11 LEU 12 12.086 5.383 5.383
406 3HD1 LEU 12 HD13 LEU 12 12.112 4.366 4.366
407 1HD2 LEU 12 HD22 LEU 12 10.058 7.460 7.460
408 2HD2 LEU 12 HD21 LEU 12 11.019 8.350 8.350
409 3HD2 LEU 12 HD23 LEU 12 11.817 7.478 7.478
410 H ILE 13 HN ILE 13 8.126 6.413 6.413
411 HA ILE 13 HA ILE 13 5.385 7.106 7.106
412 HB ILE 13 HB ILE 13 4.745 4.758 4.758
413 1HG1 ILE 13 HG12 ILE 13 6.784 3.236 3.236
414 2HG1 ILE 13 HG11 ILE 13 7.709 4.608 4.608
415 1HG2 ILE 13 HG21 ILE 13 4.587 5.564 5.564
416 2HG2 ILE 13 HG23 ILE 13 6.206 4.913 4.913
417 3HG2 ILE 13 HG22 ILE 13 4.879 3.832 3.832
418 1HD1 ILE 13 HD11 ILE 13 5.635 3.975 3.975
419 2HD1 ILE 13 HD13 ILE 13 6.573 2.525 2.525
420 3HD1 ILE 13 HD12 ILE 13 7.383 3.974 3.974
421 H GLU 14 HN GLU 14 6.914 8.398 8.398
422 HA GLU 14 HA GLU 14 5.528 7.726 7.726
423 1HB GLU 14 HB2 GLU 14 8.354 8.569 8.569
424 2HB GLU 14 HB1 GLU 14 7.705 8.415 8.415
425 1HG GLU 14 HG2 GLU 14 7.341 6.130 6.130
426 2HG GLU 14 HG1 GLU 14 8.949 6.384 6.384
427 1H CYS 1 HT1 CYS 1 23.617 -0.680 -0.680
428 2H CYS 1 HT3 CYS 1 24.709 -1.939 -1.939
429 3H CYS 1 HT2 CYS 1 24.535 -0.675 -0.675
430 HA CYS 1 HA CYS 1 25.485 0.902 0.902
431 1HB CYS 1 HB2 CYS 1 26.874 -1.706 -1.706
432 2HB CYS 1 HB1 CYS 1 27.748 -0.376 -0.376
433 H TYR 2 HN TYR 2 24.053 -1.673 -1.673
434 HA TYR 2 HA TYR 2 25.504 -1.263 -1.263
435 1HB TYR 2 HB2 TYR 2 24.739 -3.410 -3.410
436 2HB TYR 2 HB1 TYR 2 24.773 -3.560 -3.560
437 HD1 TYR 2 HD1 TYR 2 22.607 -2.771 -2.771
438 HD2 TYR 2 HD2 TYR 2 22.764 -3.807 -3.807
439 HE1 TYR 2 HE1 TYR 2 20.161 -3.072 -3.072
440 HE2 TYR 2 HE2 TYR 2 20.313 -4.123 -4.123
441 HH TYR 2 HH TYR 2 18.450 -4.194 -4.194
442 H LEU 3 HN LEU 3 22.612 -0.657 -0.657
443 HA LEU 3 HA LEU 3 20.750 -0.052 -0.052
444 1HB LEU 3 HB2 LEU 3 21.061 0.241 0.241
445 2HB LEU 3 HB1 LEU 3 20.767 1.865 1.865
446 HG LEU 3 HG LEU 3 19.098 -0.089 -0.089
447 1HD1 LEU 3 HD13 LEU 3 19.422 -1.010 -1.010
448 2HD1 LEU 3 HD12 LEU 3 18.457 0.380 0.380
449 3HD1 LEU 3 HD11 LEU 3 17.777 -0.819 -0.819
450 1HD2 LEU 3 HD23 LEU 3 19.122 2.619 2.619
451 2HD2 LEU 3 HD22 LEU 3 17.858 1.770 1.770
452 3HD2 LEU 3 HD21 LEU 3 17.756 1.911 1.911
453 H ARG 4 HN ARG 4 23.528 1.769 1.769
454 HA ARG 4 HA ARG 4 23.014 4.240 4.240
455 1HB ARG 4 HB2 ARG 4 25.637 4.257 4.257
456 2HB ARG 4 HB1 ARG 4 24.855 4.230 4.230
457 1HG ARG 4 HG2 ARG 4 26.760 2.622 2.622
458 2HG ARG 4 HG1 ARG 4 25.238 1.837 1.837
459 1HD ARG 4 HD2 ARG 4 25.102 0.790 0.790
460 2HD ARG 4 HD1 ARG 4 25.930 2.101 2.101
461 HE ARG 4 HE ARG 4 27.196 -0.177 -0.177
462 1HH1 ARG 4 HH21 ARG 4 27.477 3.113 3.113
463 2HH1 ARG 4 HH22 ARG 4 29.208 3.095 3.095
464 1HH2 ARG 4 HH11 ARG 4 29.458 -0.196 -0.196
465 2HH2 ARG 4 HH12 ARG 4 30.329 1.225 1.225
466 H ARG 5 HN ARG 5 23.702 1.120 1.120
467 HA ARG 5 HA ARG 5 24.345 2.204 2.204
468 1HB ARG 5 HB2 ARG 5 25.533 0.249 0.249
469 2HB ARG 5 HB1 ARG 5 25.614 0.320 0.320
470 1HG ARG 5 HG2 ARG 5 23.243 -0.987 -0.987
471 2HG ARG 5 HG1 ARG 5 24.123 -1.547 -1.547
472 1HD ARG 5 HD2 ARG 5 25.414 -1.574 -1.574
473 2HD ARG 5 HD1 ARG 5 24.422 -2.931 -2.931
474 HE ARG 5 HE ARG 5 25.966 -2.901 -2.901
475 1HH1 ARG 5 HH11 ARG 5 27.345 -0.513 -0.513
476 2HH1 ARG 5 HH12 ARG 5 28.834 -1.303 -1.303
477 1HH2 ARG 5 HH21 ARG 5 27.701 -4.461 -4.461
478 2HH2 ARG 5 HH22 ARG 5 29.032 -3.536 -3.536
479 H PHE 6 HN PHE 6 21.871 0.706 0.706
480 HA PHE 6 HA PHE 6 20.356 -0.132 -0.132
481 1HB PHE 6 HB2 PHE 6 20.255 -1.817 -1.817
482 2HB PHE 6 HB1 PHE 6 20.339 -0.692 -0.692
483 HD1 PHE 6 HD1 PHE 6 18.366 0.400 0.400
484 HD2 PHE 6 HD2 PHE 6 18.173 -2.287 -2.287
485 HE1 PHE 6 HE1 PHE 6 15.916 0.279 0.279
486 HE2 PHE 6 HE2 PHE 6 15.723 -2.410 -2.410
487 HZ PHE 6 HZ PHE 6 14.573 -1.126 -1.126
488 H PHE 7 HN PHE 7 20.008 2.008 2.008
489 HA PHE 7 HA PHE 7 17.454 3.028 3.028
490 1HB PHE 7 HB2 PHE 7 17.652 4.161 4.161
491 2HB PHE 7 HB1 PHE 7 19.037 3.099 3.099
492 HD1 PHE 7 HD1 PHE 7 18.146 6.402 6.402
493 HD2 PHE 7 HD2 PHE 7 21.120 4.037 4.037
494 HE1 PHE 7 HE1 PHE 7 19.639 8.378 8.378
495 HE2 PHE 7 HE2 PHE 7 22.611 6.012 6.012
496 HZ PHE 7 HZ PHE 7 21.873 8.183 8.183
497 H LYS 8 HN LYS 8 20.754 3.837 3.837
498 HA LYS 8 HA LYS 8 20.585 6.394 6.394
499 1HB LYS 8 HB2 LYS 8 22.215 4.095 4.095
500 2HB LYS 8 HB1 LYS 8 21.973 4.690 4.690
501 1HG LYS 8 HG2 LYS 8 22.518 7.020 7.020
502 2HG LYS 8 HG1 LYS 8 23.161 6.132 6.132
503 1HD LYS 8 HD2 LYS 8 24.069 5.030 5.030
504 2HD LYS 8 HD1 LYS 8 24.548 6.713 6.713
505 1HE LYS 8 HE2 LYS 8 24.975 5.426 5.426
506 2HE LYS 8 HE1 LYS 8 25.679 4.384 4.384
507 1HZ LYS 8 HZ2 LYS 8 26.513 6.589 6.589
508 2HZ LYS 8 HZ1 LYS 8 26.243 7.225 7.225
509 3HZ LYS 8 HZ3 LYS 8 27.337 5.947 5.947
510 H ALA 9 HN ALA 9 19.673 3.359 3.359
511 HA ALA 9 HA ALA 9 18.604 4.719 4.719
512 1HB ALA 9 HB3 ALA 9 19.611 2.343 2.343
513 2HB ALA 9 HB2 ALA 9 18.043 1.893 1.893
514 3HB ALA 9 HB1 ALA 9 18.155 2.496 2.496
515 H LYS 10 HN LYS 10 17.382 3.400 3.400
516 HA LYS 10 HA LYS 10 14.634 3.346 3.346
517 1HB LYS 10 HB2 LYS 10 16.042 2.775 2.775
518 2HB LYS 10 HB1 LYS 10 15.925 4.489 4.489
519 1HG LYS 10 HG2 LYS 10 13.989 3.964 3.964
520 2HG LYS 10 HG1 LYS 10 13.317 3.846 3.846
521 1HD LYS 10 HD2 LYS 10 14.470 1.394 1.394
522 2HD LYS 10 HD1 LYS 10 14.023 1.698 1.698
523 1HE LYS 10 HE2 LYS 10 11.873 2.483 2.483
524 2HE LYS 10 HE1 LYS 10 12.303 0.773 0.773
525 1HZ LYS 10 HZ2 LYS 10 12.371 0.681 0.681
526 2HZ LYS 10 HZ1 LYS 10 11.576 2.182 2.182
527 3HZ LYS 10 HZ3 LYS 10 10.827 0.825 0.825
528 H LYS 11 HN LYS 11 16.558 6.137 6.137
529 HA LYS 11 HA LYS 11 14.650 8.104 8.104
530 1HB LYS 11 HB2 LYS 11 17.488 7.912 7.912
531 2HB LYS 11 HB1 LYS 11 16.716 9.362 9.362
532 1HG LYS 11 HG2 LYS 11 16.136 8.620 8.620
533 2HG LYS 11 HG1 LYS 11 17.716 9.312 9.312
534 1HD LYS 11 HD2 LYS 11 16.293 11.084 11.084
535 2HD LYS 11 HD1 LYS 11 14.997 10.550 10.550
536 1HE LYS 11 HE2 LYS 11 16.033 12.386 12.386
537 2HE LYS 11 HE1 LYS 11 16.685 10.937 10.937
538 1HZ LYS 11 HZ2 LYS 11 18.054 11.832 11.832
539 2HZ LYS 11 HZ1 LYS 11 18.242 12.819 12.819
540 3HZ LYS 11 HZ3 LYS 11 18.694 11.187 11.187
541 H LEU 12 HN LEU 12 15.996 6.805 6.805
542 HA LEU 12 HA LEU 12 14.784 8.662 8.662
543 1HB LEU 12 HB2 LEU 12 15.705 5.801 5.801
544 2HB LEU 12 HB1 LEU 12 15.220 6.801 6.801
545 HG LEU 12 HG LEU 12 17.348 7.628 7.628
546 1HD1 LEU 12 HD13 LEU 12 17.897 5.537 5.537
547 2HD1 LEU 12 HD12 LEU 12 17.776 6.530 6.530
548 3HD1 LEU 12 HD11 LEU 12 19.000 6.891 6.891
549 1HD2 LEU 12 HD21 LEU 12 16.074 8.793 8.793
550 2HD2 LEU 12 HD23 LEU 12 16.843 9.599 9.599
551 3HD2 LEU 12 HD22 LEU 12 17.830 8.933 8.933
552 H ILE 13 HN ILE 13 13.373 6.154 6.154
553 HA ILE 13 HA ILE 13 10.848 6.458 6.458
554 HB ILE 13 HB ILE 13 10.501 4.004 4.004
555 1HG1 ILE 13 HG12 ILE 13 12.855 2.859 2.859
556 2HG1 ILE 13 HG11 ILE 13 13.216 4.314 4.314
557 1HG2 ILE 13 HG23 ILE 13 11.452 5.121 5.121
558 2HG2 ILE 13 HG22 ILE 13 13.057 4.725 4.725
559 3HG2 ILE 13 HG21 ILE 13 11.926 3.434 3.434
560 1HD1 ILE 13 HD12 ILE 13 10.680 3.566 3.566
561 2HD1 ILE 13 HD11 ILE 13 11.548 2.039 2.039
562 3HD1 ILE 13 HD13 ILE 13 12.197 3.324 3.324
563 H GLU 14 HN GLU 14 12.366 5.437 5.437
564 HA GLU 14 HA GLU 14 11.576 5.153 5.153
565 1HB GLU 14 HB2 GLU 14 9.962 7.600 7.600
566 2HB GLU 14 HB1 GLU 14 10.859 7.257 7.257
567 1HG GLU 14 HG2 GLU 14 12.838 7.153 7.153
568 2HG GLU 14 HG1 GLU 14 11.789 8.436 8.436
Start of MODEL 9
1 1H CYS 1 HT2 CYS 1 3.462 3.012 3.012
2 2H CYS 1 HT1 CYS 1 2.415 4.339 4.339
3 3H CYS 1 HT3 CYS 1 4.005 4.434 4.434
4 HA CYS 1 HA CYS 1 3.909 5.648 5.648
5 1HB CYS 1 HB2 CYS 1 2.328 3.207 3.207
6 2HB CYS 1 HB1 CYS 1 3.258 3.918 3.918
7 H TYR 2 HN TYR 2 5.599 3.574 3.574
8 HA TYR 2 HA TYR 2 7.550 3.145 3.145
9 1HB TYR 2 HB2 TYR 2 7.776 0.915 0.915
10 2HB TYR 2 HB1 TYR 2 6.095 1.166 1.166
11 HD1 TYR 2 HD1 TYR 2 9.585 1.241 1.241
12 HD2 TYR 2 HD2 TYR 2 5.429 1.004 1.004
13 HE1 TYR 2 HE1 TYR 2 10.194 0.800 0.800
14 HE2 TYR 2 HE2 TYR 2 6.023 0.551 0.551
15 HH TYR 2 HH TYR 2 9.327 0.805 0.805
16 H LEU 3 HN LEU 3 6.959 4.115 4.115
17 HA LEU 3 HA LEU 3 9.451 3.984 3.984
18 1HB LEU 3 HB2 LEU 3 7.173 5.856 5.856
19 2HB LEU 3 HB1 LEU 3 8.636 6.438 6.438
20 HG LEU 3 HG LEU 3 8.638 4.482 4.482
21 1HD1 LEU 3 HD11 LEU 3 7.606 2.928 2.928
22 2HD1 LEU 3 HD13 LEU 3 6.058 3.731 3.731
23 3HD1 LEU 3 HD12 LEU 3 6.825 2.845 2.845
24 1HD2 LEU 3 HD22 LEU 3 6.436 6.402 6.402
25 2HD2 LEU 3 HD21 LEU 3 7.412 5.910 5.910
26 3HD2 LEU 3 HD23 LEU 3 6.023 4.940 4.940
27 H ARG 4 HN ARG 4 8.235 6.224 6.224
28 HA ARG 4 HA ARG 4 10.513 7.931 7.931
29 1HB ARG 4 HB2 ARG 4 8.794 7.223 7.223
30 2HB ARG 4 HB1 ARG 4 9.310 8.812 8.812
31 1HG ARG 4 HG2 ARG 4 7.174 9.009 9.009
32 2HG ARG 4 HG1 ARG 4 7.719 7.999 7.999
33 1HD ARG 4 HD2 ARG 4 6.945 5.963 5.963
34 2HD ARG 4 HD1 ARG 4 6.488 6.943 6.943
35 HE ARG 4 HE ARG 4 5.012 6.791 6.791
36 1HH1 ARG 4 HH21 ARG 4 4.372 7.421 7.421
37 2HH1 ARG 4 HH22 ARG 4 3.587 8.950 8.950
38 1HH2 ARG 4 HH11 ARG 4 4.623 9.325 9.325
39 2HH2 ARG 4 HH12 ARG 4 3.730 10.030 10.030
40 H ARG 5 HN ARG 5 9.494 4.908 4.908
41 HA ARG 5 HA ARG 5 11.884 4.744 4.744
42 1HB ARG 5 HB2 ARG 5 9.510 3.035 3.035
43 2HB ARG 5 HB1 ARG 5 10.789 2.490 2.490
44 1HG ARG 5 HG2 ARG 5 9.757 3.610 3.610
45 2HG ARG 5 HG1 ARG 5 10.183 5.108 5.108
46 1HD ARG 5 HD2 ARG 5 7.836 5.271 5.271
47 2HD ARG 5 HD1 ARG 5 8.058 4.554 4.554
48 HE ARG 5 HE ARG 5 7.783 2.302 2.302
49 1HH1 ARG 5 HH21 ARG 5 7.444 4.462 4.462
50 2HH1 ARG 5 HH22 ARG 5 5.825 4.033 4.033
51 1HH2 ARG 5 HH11 ARG 5 5.297 2.070 2.070
52 2HH2 ARG 5 HH12 ARG 5 4.609 2.682 2.682
53 H PHE 6 HN PHE 6 11.355 4.225 4.225
54 HA PHE 6 HA PHE 6 13.229 1.910 1.910
55 1HB PHE 6 HB2 PHE 6 11.359 1.339 1.339
56 2HB PHE 6 HB1 PHE 6 11.038 3.005 3.005
57 HD1 PHE 6 HD1 PHE 6 11.147 3.320 3.320
58 HD2 PHE 6 HD2 PHE 6 13.948 0.694 0.694
59 HE1 PHE 6 HE1 PHE 6 12.243 2.919 2.919
60 HE2 PHE 6 HE2 PHE 6 15.046 0.292 0.292
61 HZ PHE 6 HZ PHE 6 14.204 1.403 1.403
62 H PHE 7 HN PHE 7 12.594 5.005 5.005
63 HA PHE 7 HA PHE 7 15.157 5.033 5.033
64 1HB PHE 7 HB2 PHE 7 14.372 6.992 6.992
65 2HB PHE 7 HB1 PHE 7 12.856 6.257 6.257
66 HD1 PHE 7 HD1 PHE 7 15.538 8.553 8.553
67 HD2 PHE 7 HD2 PHE 7 11.369 7.496 7.496
68 HE1 PHE 7 HE1 PHE 7 15.037 10.551 10.551
69 HE2 PHE 7 HE2 PHE 7 10.875 9.493 9.493
70 HZ PHE 7 HZ PHE 7 12.705 11.022 11.022
71 H LYS 8 HN LYS 8 14.053 6.020 6.020
72 HA LYS 8 HA LYS 8 16.053 7.902 7.902
73 1HB LYS 8 HB2 LYS 8 14.038 6.314 6.314
74 2HB LYS 8 HB1 LYS 8 15.478 6.392 6.392
75 1HG LYS 8 HG2 LYS 8 15.436 8.771 8.771
76 2HG LYS 8 HG1 LYS 8 14.264 8.852 8.852
77 1HD LYS 8 HD2 LYS 8 12.905 7.322 7.322
78 2HD LYS 8 HD1 LYS 8 13.828 8.374 8.374
79 1HE LYS 8 HE2 LYS 8 12.686 9.861 9.861
80 2HE LYS 8 HE1 LYS 8 11.441 9.061 9.061
81 1HZ LYS 8 HZ1 LYS 8 12.540 9.922 9.922
82 2HZ LYS 8 HZ3 LYS 8 13.662 10.750 10.750
83 3HZ LYS 8 HZ2 LYS 8 12.019 11.182 11.182
84 H ALA 9 HN ALA 9 15.981 4.404 4.404
85 HA ALA 9 HA ALA 9 18.689 4.275 4.275
86 1HB ALA 9 HB1 ALA 9 16.673 2.680 2.680
87 2HB ALA 9 HB3 ALA 9 17.105 2.027 2.027
88 3HB ALA 9 HB2 ALA 9 18.253 1.938 1.938
89 H LYS 10 HN LYS 10 17.212 4.313 4.313
90 HA LYS 10 HA LYS 10 19.258 3.030 3.030
91 1HB LYS 10 HB2 LYS 10 16.772 3.929 3.929
92 2HB LYS 10 HB1 LYS 10 17.699 5.239 5.239
93 1HG LYS 10 HG2 LYS 10 18.063 3.989 3.989
94 2HG LYS 10 HG1 LYS 10 18.901 2.802 2.802
95 1HD LYS 10 HD2 LYS 10 16.604 1.884 1.884
96 2HD LYS 10 HD1 LYS 10 15.954 2.900 2.900
97 1HE LYS 10 HE2 LYS 10 16.491 0.511 0.511
98 2HE LYS 10 HE1 LYS 10 17.312 1.757 1.757
99 1HZ LYS 10 HZ2 LYS 10 18.638 0.947 0.947
100 2HZ LYS 10 HZ1 LYS 10 18.617 -0.215 -0.215
101 3HZ LYS 10 HZ3 LYS 10 19.301 1.312 1.312
102 H LYS 11 HN LYS 11 18.493 6.522 6.522
103 HA LYS 11 HA LYS 11 20.663 7.672 7.672
104 1HB LYS 11 HB2 LYS 11 19.335 8.364 8.364
105 2HB LYS 11 HB1 LYS 11 20.420 9.464 9.464
106 1HG LYS 11 HG2 LYS 11 18.425 8.376 8.376
107 2HG LYS 11 HG1 LYS 11 17.662 9.174 9.174
108 1HD LYS 11 HD2 LYS 11 18.288 11.223 11.223
109 2HD LYS 11 HD1 LYS 11 19.937 10.688 10.688
110 1HE LYS 11 HE2 LYS 11 18.260 9.464 9.464
111 2HE LYS 11 HE1 LYS 11 17.869 11.194 11.194
112 1HZ LYS 11 HZ1 LYS 11 20.310 11.615 11.615
113 2HZ LYS 11 HZ3 LYS 11 20.558 9.968 9.968
114 3HZ LYS 11 HZ2 LYS 11 19.750 10.938 10.938
115 H LEU 12 HN LEU 12 20.689 6.002 6.002
116 HA LEU 12 HA LEU 12 23.287 6.798 6.798
117 1HB LEU 12 HB2 LEU 12 21.753 4.248 4.248
118 2HB LEU 12 HB1 LEU 12 22.974 4.990 4.990
119 HG LEU 12 HG LEU 12 20.213 6.035 6.035
120 1HD1 LEU 12 HD13 LEU 12 20.956 4.398 4.398
121 2HD1 LEU 12 HD12 LEU 12 21.409 5.929 5.929
122 3HD1 LEU 12 HD11 LEU 12 19.742 5.655 5.655
123 1HD2 LEU 12 HD23 LEU 12 22.692 7.482 7.482
124 2HD2 LEU 12 HD22 LEU 12 21.233 8.083 8.083
125 3HD2 LEU 12 HD21 LEU 12 21.269 7.879 7.879
126 H ILE 13 HN ILE 13 22.128 3.938 3.938
127 HA ILE 13 HA ILE 13 24.945 3.474 3.474
128 HB ILE 13 HB ILE 13 24.415 1.040 1.040
129 1HG1 ILE 13 HG12 ILE 13 22.206 1.573 1.573
130 2HG1 ILE 13 HG11 ILE 13 21.819 2.047 2.047
131 1HG2 ILE 13 HG22 ILE 13 24.164 2.921 2.921
132 2HG2 ILE 13 HG21 ILE 13 24.413 1.182 1.182
133 3HG2 ILE 13 HG23 ILE 13 25.644 2.179 2.179
134 1HD1 ILE 13 HD13 ILE 13 23.216 -0.524 -0.524
135 2HD1 ILE 13 HD12 ILE 13 21.671 -0.533 -0.533
136 3HD1 ILE 13 HD11 ILE 13 21.736 -0.101 -0.101
137 H GLU 14 HN GLU 14 21.869 3.914 3.914
138 HA GLU 14 HA GLU 14 20.603 3.399 3.399
139 1HB GLU 14 HB2 GLU 14 23.177 4.143 4.143
140 2HB GLU 14 HB1 GLU 14 21.552 4.763 4.763
141 1HG GLU 14 HG2 GLU 14 21.996 5.499 5.499
142 2HG GLU 14 HG1 GLU 14 23.603 5.679 5.679
143 1H CYS 1 HT1 CYS 1 0.340 5.781 5.781
144 2H CYS 1 HT3 CYS 1 -0.654 5.046 5.046
145 3H CYS 1 HT2 CYS 1 0.064 4.106 4.106
146 HA CYS 1 HA CYS 1 1.407 3.677 3.677
147 1HB CYS 1 HB2 CYS 1 0.567 6.476 6.476
148 2HB CYS 1 HB1 CYS 1 2.170 6.052 6.052
149 H TYR 2 HN TYR 2 2.060 3.870 3.870
150 HA TYR 2 HA TYR 2 4.858 4.635 4.635
151 1HB TYR 2 HB2 TYR 2 4.772 6.567 6.567
152 2HB TYR 2 HB1 TYR 2 3.130 6.654 6.654
153 HD1 TYR 2 HD1 TYR 2 5.120 5.222 5.222
154 HD2 TYR 2 HD2 TYR 2 1.295 6.612 6.612
155 HE1 TYR 2 HE1 TYR 2 4.223 4.914 4.914
156 HE2 TYR 2 HE2 TYR 2 0.383 6.324 6.324
157 HH TYR 2 HH TYR 2 0.774 5.414 5.414
158 H LEU 3 HN LEU 3 2.047 3.691 3.691
159 HA LEU 3 HA LEU 3 3.053 2.496 2.496
160 1HB LEU 3 HB2 LEU 3 0.714 2.606 2.606
161 2HB LEU 3 HB1 LEU 3 1.195 1.003 1.003
162 HG LEU 3 HG LEU 3 1.821 1.260 1.260
163 1HD1 LEU 3 HD13 LEU 3 -0.622 2.598 2.598
164 2HD1 LEU 3 HD12 LEU 3 -0.951 1.268 1.268
165 3HD1 LEU 3 HD11 LEU 3 0.156 2.559 2.559
166 1HD2 LEU 3 HD22 LEU 3 0.383 -0.476 -0.476
167 2HD2 LEU 3 HD21 LEU 3 1.423 -0.911 -0.911
168 3HD2 LEU 3 HD23 LEU 3 -0.274 -0.519 -0.519
169 H ARG 4 HN ARG 4 3.077 1.285 1.285
170 HA ARG 4 HA ARG 4 4.188 -1.281 -1.281
171 1HB ARG 4 HB2 ARG 4 4.960 0.689 0.689
172 2HB ARG 4 HB1 ARG 4 4.782 -1.059 -1.059
173 1HG ARG 4 HG2 ARG 4 2.687 -0.654 -0.654
174 2HG ARG 4 HG1 ARG 4 2.294 -0.224 -0.224
175 1HD ARG 4 HD2 ARG 4 3.046 2.155 2.155
176 2HD ARG 4 HD1 ARG 4 3.132 1.658 1.658
177 HE ARG 4 HE ARG 4 0.693 2.152 2.152
178 1HH1 ARG 4 HH21 ARG 4 0.469 -0.785 -0.785
179 2HH1 ARG 4 HH22 ARG 4 -0.253 -0.856 -0.856
180 1HH2 ARG 4 HH11 ARG 4 0.501 2.436 2.436
181 2HH2 ARG 4 HH12 ARG 4 -0.234 0.968 0.968
182 H ARG 5 HN ARG 5 5.735 1.895 1.895
183 HA ARG 5 HA ARG 5 8.428 0.869 0.869
184 1HB ARG 5 HB2 ARG 5 9.033 3.019 3.019
185 2HB ARG 5 HB1 ARG 5 7.387 3.038 3.038
186 1HG ARG 5 HG2 ARG 5 6.859 3.790 3.790
187 2HG ARG 5 HG1 ARG 5 8.513 4.385 4.385
188 1HD ARG 5 HD2 ARG 5 6.661 4.974 4.974
189 2HD ARG 5 HD1 ARG 5 6.489 5.920 5.920
190 HE ARG 5 HE ARG 5 9.194 5.963 5.963
191 1HH1 ARG 5 HH11 ARG 5 7.687 8.441 8.441
192 2HH1 ARG 5 HH12 ARG 5 8.008 8.739 8.739
193 1HH2 ARG 5 HH21 ARG 5 9.113 5.517 5.517
194 2HH2 ARG 5 HH22 ARG 5 8.808 7.084 7.084
195 H PHE 6 HN PHE 6 5.808 1.652 1.652
196 HA PHE 6 HA PHE 6 7.533 2.237 2.237
197 1HB PHE 6 HB2 PHE 6 5.656 3.622 3.622
198 2HB PHE 6 HB1 PHE 6 4.622 2.295 2.295
199 HD1 PHE 6 HD1 PHE 6 6.894 3.139 3.139
200 HD2 PHE 6 HD2 PHE 6 3.147 1.494 1.494
201 HE1 PHE 6 HE1 PHE 6 6.261 2.772 2.772
202 HE2 PHE 6 HE2 PHE 6 2.512 1.121 1.121
203 HZ PHE 6 HZ PHE 6 4.065 1.757 1.757
204 H PHE 7 HN PHE 7 4.841 -0.031 -0.031
205 HA PHE 7 HA PHE 7 5.362 -1.721 -1.721
206 1HB PHE 7 HB2 PHE 7 3.536 -2.842 -2.842
207 2HB PHE 7 HB1 PHE 7 3.402 -1.409 -1.409
208 HD1 PHE 7 HD1 PHE 7 3.394 -1.636 -1.636
209 HD2 PHE 7 HD2 PHE 7 5.010 -4.790 -4.790
210 HE1 PHE 7 HE1 PHE 7 3.655 -3.069 -3.069
211 HE2 PHE 7 HE2 PHE 7 5.271 -6.214 -6.214
212 HZ PHE 7 HZ PHE 7 4.592 -5.354 -5.354
213 H LYS 8 HN LYS 8 6.759 -1.582 -1.582
214 HA LYS 8 HA LYS 8 7.888 -4.094 -4.094
215 1HB LYS 8 HB2 LYS 8 8.396 -1.354 -1.354
216 2HB LYS 8 HB1 LYS 8 9.868 -2.323 -2.323
217 1HG LYS 8 HG2 LYS 8 8.887 -3.971 -3.971
218 2HG LYS 8 HG1 LYS 8 7.314 -3.175 -3.175
219 1HD LYS 8 HD2 LYS 8 8.529 -2.618 -2.618
220 2HD LYS 8 HD1 LYS 8 8.229 -1.190 -1.190
221 1HE LYS 8 HE2 LYS 8 10.495 -1.116 -1.116
222 2HE LYS 8 HE1 LYS 8 10.826 -2.749 -2.749
223 1HZ LYS 8 HZ1 LYS 8 9.956 -0.497 -0.497
224 2HZ LYS 8 HZ3 LYS 8 11.583 -0.918 -0.918
225 3HZ LYS 8 HZ2 LYS 8 10.514 -2.022 -2.022
226 H ALA 9 HN ALA 9 9.361 -1.356 -1.356
227 HA ALA 9 HA ALA 9 11.635 -2.751 -2.751
228 1HB ALA 9 HB1 ALA 9 11.046 -0.244 -0.244
229 2HB ALA 9 HB3 ALA 9 10.172 -0.539 -0.539
230 3HB ALA 9 HB2 ALA 9 11.912 -0.820 -0.820
231 H LYS 10 HN LYS 10 8.338 -2.477 -2.477
232 HA LYS 10 HA LYS 10 8.745 -3.531 -3.531
233 1HB LYS 10 HB2 LYS 10 6.768 -2.471 -2.471
234 2HB LYS 10 HB1 LYS 10 6.297 -4.158 -4.158
235 1HG LYS 10 HG2 LYS 10 7.179 -3.225 -3.225
236 2HG LYS 10 HG1 LYS 10 5.871 -2.215 -2.215
237 1HD LYS 10 HD2 LYS 10 5.641 -5.176 -5.176
238 2HD LYS 10 HD1 LYS 10 5.330 -4.442 -4.442
239 1HE LYS 10 HE2 LYS 10 4.030 -2.940 -2.940
240 2HE LYS 10 HE1 LYS 10 3.492 -4.631 -4.631
241 1HZ LYS 10 HZ3 LYS 10 3.832 -3.229 -3.229
242 2HZ LYS 10 HZ2 LYS 10 2.451 -2.876 -2.876
243 3HZ LYS 10 HZ1 LYS 10 2.749 -4.469 -4.469
244 H LYS 11 HN LYS 11 7.316 -5.244 -5.244
245 HA LYS 11 HA LYS 11 7.331 -7.839 -7.839
246 1HB LYS 11 HB2 LYS 11 7.934 -6.605 -6.605
247 2HB LYS 11 HB1 LYS 11 7.875 -8.358 -8.358
248 1HG LYS 11 HG2 LYS 11 5.618 -6.749 -6.749
249 2HG LYS 11 HG1 LYS 11 5.688 -6.976 -6.976
250 1HD LYS 11 HD2 LYS 11 6.022 -9.475 -9.475
251 2HD LYS 11 HD1 LYS 11 5.498 -9.091 -9.091
252 1HE LYS 11 HE2 LYS 11 3.360 -8.267 -8.267
253 2HE LYS 11 HE1 LYS 11 3.891 -8.428 -8.428
254 1HZ LYS 11 HZ1 LYS 11 4.350 -10.822 -10.822
255 2HZ LYS 11 HZ3 LYS 11 3.503 -10.591 -10.591
256 3HZ LYS 11 HZ2 LYS 11 2.706 -10.395 -10.395
257 H LEU 12 HN LEU 12 10.116 -6.000 -6.000
258 HA LEU 12 HA LEU 12 11.994 -8.133 -8.133
259 1HB LEU 12 HB2 LEU 12 12.077 -5.140 -5.140
260 2HB LEU 12 HB1 LEU 12 13.576 -6.069 -6.069
261 HG LEU 12 HG LEU 12 11.530 -6.121 -6.121
262 1HD1 LEU 12 HD12 LEU 12 13.203 -4.157 -4.157
263 2HD1 LEU 12 HD11 LEU 12 14.438 -5.338 -5.338
264 3HD1 LEU 12 HD13 LEU 12 13.132 -4.968 -4.968
265 1HD2 LEU 12 HD22 LEU 12 13.871 -7.856 -7.856
266 2HD2 LEU 12 HD21 LEU 12 12.336 -8.295 -8.295
267 3HD2 LEU 12 HD23 LEU 12 13.582 -7.489 -7.489
268 H ILE 13 HN ILE 13 10.502 -6.670 -6.670
269 HA ILE 13 HA ILE 13 12.428 -8.029 -8.029
270 HB ILE 13 HB ILE 13 12.277 -5.802 -5.802
271 1HG1 ILE 13 HG12 ILE 13 12.455 -4.161 -4.161
272 2HG1 ILE 13 HG11 ILE 13 10.941 -5.049 -5.049
273 1HG2 ILE 13 HG23 ILE 13 14.344 -6.758 -6.758
274 2HG2 ILE 13 HG22 ILE 13 13.970 -6.039 -6.039
275 3HG2 ILE 13 HG21 ILE 13 14.324 -5.004 -5.004
276 1HD1 ILE 13 HD11 ILE 13 11.855 -3.473 -3.473
277 2HD1 ILE 13 HD13 ILE 13 10.643 -2.942 -2.942
278 3HD1 ILE 13 HD12 ILE 13 10.329 -4.345 -4.345
279 H GLU 14 HN GLU 14 9.922 -8.890 -8.890
280 HA GLU 14 HA GLU 14 8.476 -8.345 -8.345
281 1HB GLU 14 HB2 GLU 14 7.525 -8.615 -8.615
282 2HB GLU 14 HB1 GLU 14 6.434 -8.485 -8.485
283 1HG GLU 14 HG2 GLU 14 8.608 -6.460 -6.460
284 2HG GLU 14 HG1 GLU 14 7.189 -6.322 -6.322
285 1H CYS 1 HT1 CYS 1 23.395 -2.068 -2.068
286 2H CYS 1 HT3 CYS 1 24.216 -3.545 -3.545
287 3H CYS 1 HT2 CYS 1 25.025 -2.089 -2.089
288 HA CYS 1 HA CYS 1 23.745 -1.713 -1.713
289 1HB CYS 1 HB2 CYS 1 24.929 -4.432 -4.432
290 2HB CYS 1 HB1 CYS 1 24.257 -4.071 -4.071
291 H TYR 2 HN TYR 2 21.603 -1.649 -1.649
292 HA TYR 2 HA TYR 2 19.646 -3.172 -3.172
293 1HB TYR 2 HB2 TYR 2 19.077 -4.795 -4.795
294 2HB TYR 2 HB1 TYR 2 20.769 -4.602 -4.602
295 HD1 TYR 2 HD1 TYR 2 17.352 -3.277 -3.277
296 HD2 TYR 2 HD2 TYR 2 21.334 -3.852 -3.852
297 HE1 TYR 2 HE1 TYR 2 16.644 -2.401 -2.401
298 HE2 TYR 2 HE2 TYR 2 20.635 -2.993 -2.993
299 HH TYR 2 HH TYR 2 18.624 -2.685 -2.685
300 H LEU 3 HN LEU 3 20.490 -1.356 -1.356
301 HA LEU 3 HA LEU 3 18.152 -0.124 -0.124
302 1HB LEU 3 HB2 LEU 3 20.669 0.090 0.090
303 2HB LEU 3 HB1 LEU 3 20.632 1.438 1.438
304 HG LEU 3 HG LEU 3 18.325 1.502 1.502
305 1HD1 LEU 3 HD12 LEU 3 20.477 0.415 0.415
306 2HD1 LEU 3 HD11 LEU 3 20.519 2.125 2.125
307 3HD1 LEU 3 HD13 LEU 3 19.063 1.174 1.174
308 1HD2 LEU 3 HD23 LEU 3 20.104 3.230 3.230
309 2HD2 LEU 3 HD22 LEU 3 18.739 3.713 3.713
310 3HD2 LEU 3 HD21 LEU 3 20.347 3.549 3.549
311 H ARG 4 HN ARG 4 20.319 0.845 0.845
312 HA ARG 4 HA ARG 4 19.008 3.104 3.104
313 1HB ARG 4 HB2 ARG 4 19.992 0.862 0.862
314 2HB ARG 4 HB1 ARG 4 20.137 2.600 2.600
315 1HG ARG 4 HG2 ARG 4 22.227 2.410 2.410
316 2HG ARG 4 HG1 ARG 4 21.460 2.192 2.192
317 1HD ARG 4 HD2 ARG 4 21.445 -0.251 -0.251
318 2HD ARG 4 HD1 ARG 4 22.119 -0.065 -0.065
319 HE ARG 4 HE ARG 4 23.653 0.049 0.049
320 1HH1 ARG 4 HH21 ARG 4 24.259 0.001 0.001
321 2HH1 ARG 4 HH22 ARG 4 25.404 1.299 1.299
322 1HH2 ARG 4 HH11 ARG 4 24.677 2.439 2.439
323 2HH2 ARG 4 HH12 ARG 4 25.646 2.676 2.676
324 H ARG 5 HN ARG 5 18.209 -0.310 -0.310
325 HA ARG 5 HA ARG 5 15.874 0.194 0.194
326 1HB ARG 5 HB2 ARG 5 17.080 -2.198 -2.198
327 2HB ARG 5 HB1 ARG 5 15.635 -2.303 -2.303
328 1HG ARG 5 HG2 ARG 5 16.922 -2.372 -2.372
329 2HG ARG 5 HG1 ARG 5 17.568 -0.781 -0.781
330 1HD ARG 5 HD2 ARG 5 19.498 -2.152 -2.152
331 2HD ARG 5 HD1 ARG 5 19.082 -2.100 -2.100
332 HE ARG 5 HE ARG 5 17.988 -4.295 -4.295
333 1HH1 ARG 5 HH11 ARG 5 20.863 -4.594 -4.594
334 2HH1 ARG 5 HH12 ARG 5 20.625 -5.492 -5.492
335 1HH2 ARG 5 HH21 ARG 5 17.230 -4.830 -4.830
336 2HH2 ARG 5 HH22 ARG 5 18.571 -5.627 -5.627
337 H PHE 6 HN PHE 6 16.541 0.002 0.002
338 HA PHE 6 HA PHE 6 13.723 -0.544 -0.544
339 1HB PHE 6 HB2 PHE 6 15.060 -1.736 -1.736
340 2HB PHE 6 HB1 PHE 6 16.369 -0.575 -0.575
341 HD1 PHE 6 HD1 PHE 6 13.438 -1.593 -1.593
342 HD2 PHE 6 HD2 PHE 6 16.301 1.545 1.545
343 HE1 PHE 6 HE1 PHE 6 12.795 -0.618 -0.618
344 HE2 PHE 6 HE2 PHE 6 15.658 2.525 2.525
345 HZ PHE 6 HZ PHE 6 13.897 1.451 1.451
346 H PHE 7 HN PHE 7 16.179 1.995 1.995
347 HA PHE 7 HA PHE 7 14.289 3.768 3.768
348 1HB PHE 7 HB2 PHE 7 16.166 5.013 5.013
349 2HB PHE 7 HB1 PHE 7 16.986 3.550 3.550
350 HD1 PHE 7 HD1 PHE 7 18.528 3.695 3.695
351 HD2 PHE 7 HD2 PHE 7 15.459 6.680 6.680
352 HE1 PHE 7 HE1 PHE 7 19.553 4.959 4.959
353 HE2 PHE 7 HE2 PHE 7 16.482 7.943 7.943
354 HZ PHE 7 HZ PHE 7 18.530 7.082 7.082
355 H LYS 8 HN LYS 8 15.409 3.291 3.291
356 HA LYS 8 HA LYS 8 14.545 5.543 5.543
357 1HB LYS 8 HB2 LYS 8 14.788 2.687 2.687
358 2HB LYS 8 HB1 LYS 8 13.625 3.460 3.460
359 1HG LYS 8 HG2 LYS 8 16.127 3.357 3.357
360 2HG LYS 8 HG1 LYS 8 15.245 4.863 4.863
361 1HD LYS 8 HD2 LYS 8 16.276 5.877 5.877
362 2HD LYS 8 HD1 LYS 8 16.830 4.328 4.328
363 1HE LYS 8 HE2 LYS 8 18.797 5.174 5.174
364 2HE LYS 8 HE1 LYS 8 18.135 4.199 4.199
365 1HZ LYS 8 HZ3 LYS 8 17.377 7.032 7.032
366 2HZ LYS 8 HZ2 LYS 8 18.717 6.592 6.592
367 3HZ LYS 8 HZ1 LYS 8 17.160 6.073 6.073
368 H ALA 9 HN ALA 9 12.463 2.712 2.712
369 HA ALA 9 HA ALA 9 10.008 3.850 3.850
370 1HB ALA 9 HB2 ALA 9 10.949 1.456 1.456
371 2HB ALA 9 HB1 ALA 9 10.006 1.999 1.999
372 3HB ALA 9 HB3 ALA 9 9.234 1.818 1.818
373 H LYS 10 HN LYS 10 11.671 3.956 3.956
374 HA LYS 10 HA LYS 10 9.593 5.057 5.057
375 1HB LYS 10 HB2 LYS 10 12.109 4.182 4.182
376 2HB LYS 10 HB1 LYS 10 12.363 5.917 5.917
377 1HG LYS 10 HG2 LYS 10 10.027 5.092 5.092
378 2HG LYS 10 HG1 LYS 10 11.510 4.319 4.319
379 1HD LYS 10 HD2 LYS 10 11.600 7.226 7.226
380 2HD LYS 10 HD1 LYS 10 10.805 6.735 6.735
381 1HE LYS 10 HE2 LYS 10 13.231 5.236 5.236
382 2HE LYS 10 HE1 LYS 10 13.615 6.948 6.948
383 1HZ LYS 10 HZ2 LYS 10 11.824 6.027 6.027
384 2HZ LYS 10 HZ1 LYS 10 13.496 6.232 6.232
385 3HZ LYS 10 HZ3 LYS 10 12.528 7.561 7.561
386 H LYS 11 HN LYS 11 12.369 6.835 6.835
387 HA LYS 11 HA LYS 11 11.518 9.433 9.433
388 1HB LYS 11 HB2 LYS 11 13.381 8.001 8.001
389 2HB LYS 11 HB1 LYS 11 12.625 9.236 9.236
390 1HG LYS 11 HG2 LYS 11 13.860 9.748 9.748
391 2HG LYS 11 HG1 LYS 11 14.644 10.090 10.090
392 1HD LYS 11 HD2 LYS 11 11.931 11.224 11.224
393 2HD LYS 11 HD1 LYS 11 13.429 12.052 12.052
394 1HE LYS 11 HE2 LYS 11 13.868 11.426 11.426
395 2HE LYS 11 HE1 LYS 11 12.133 11.803 11.803
396 1HZ LYS 11 HZ2 LYS 11 12.867 13.727 13.727
397 2HZ LYS 11 HZ1 LYS 11 14.401 13.488 13.488
398 3HZ LYS 11 HZ3 LYS 11 13.083 13.891 13.891
399 H LEU 12 HN LEU 12 10.686 7.446 7.446
400 HA LEU 12 HA LEU 12 9.067 9.452 9.452
401 1HB LEU 12 HB2 LEU 12 8.114 7.500 7.500
402 2HB LEU 12 HB1 LEU 12 9.840 7.803 7.803
403 HG LEU 12 HG LEU 12 9.772 6.055 6.055
404 1HD1 LEU 12 HD11 LEU 12 7.196 5.945 5.945
405 2HD1 LEU 12 HD13 LEU 12 7.879 4.770 4.770
406 3HD1 LEU 12 HD12 LEU 12 8.058 4.535 4.535
407 1HD2 LEU 12 HD23 LEU 12 10.771 6.210 6.210
408 2HD2 LEU 12 HD22 LEU 12 11.029 4.844 4.844
409 3HD2 LEU 12 HD21 LEU 12 9.734 4.790 4.790
410 H ILE 13 HN ILE 13 8.421 7.660 7.660
411 HA ILE 13 HA ILE 13 5.554 8.411 8.411
412 HB ILE 13 HB ILE 13 4.962 6.269 6.269
413 1HG1 ILE 13 HG12 ILE 13 7.138 4.678 4.678
414 2HG1 ILE 13 HG11 ILE 13 7.861 6.112 6.112
415 1HG2 ILE 13 HG23 ILE 13 5.639 6.723 6.723
416 2HG2 ILE 13 HG22 ILE 13 6.283 5.132 5.132
417 3HG2 ILE 13 HG21 ILE 13 4.569 5.478 5.478
418 1HD1 ILE 13 HD11 ILE 13 5.513 4.702 4.702
419 2HD1 ILE 13 HD13 ILE 13 7.178 4.246 4.246
420 3HD1 ILE 13 HD12 ILE 13 6.607 5.871 5.871
421 H GLU 14 HN GLU 14 7.500 9.859 9.859
422 HA GLU 14 HA GLU 14 6.537 9.631 9.631
423 1HB GLU 14 HB2 GLU 14 9.299 10.010 10.010
424 2HB GLU 14 HB1 GLU 14 8.928 10.191 10.191
425 1HG GLU 14 HG2 GLU 14 7.974 7.735 7.735
426 2HG GLU 14 HG1 GLU 14 9.699 7.845 7.845
427 1H CYS 1 HT2 CYS 1 27.807 -2.982 -2.982
428 2H CYS 1 HT1 CYS 1 28.141 -4.100 -4.100
429 3H CYS 1 HT3 CYS 1 27.022 -4.489 -4.489
430 HA CYS 1 HA CYS 1 25.599 -3.901 -3.901
431 1HB CYS 1 HB2 CYS 1 28.019 -2.318 -2.318
432 2HB CYS 1 HB1 CYS 1 26.477 -1.657 -1.657
433 H TYR 2 HN TYR 2 25.741 -3.131 -3.131
434 HA TYR 2 HA TYR 2 24.008 -0.742 -0.742
435 1HB TYR 2 HB2 TYR 2 25.417 0.591 0.591
436 2HB TYR 2 HB1 TYR 2 26.656 -0.403 -0.403
437 HD1 TYR 2 HD1 TYR 2 28.046 -1.799 -1.799
438 HD2 TYR 2 HD2 TYR 2 24.448 -0.203 -0.203
439 HE1 TYR 2 HE1 TYR 2 28.680 -2.721 -2.721
440 HE2 TYR 2 HE2 TYR 2 25.060 -1.115 -1.115
441 HH TYR 2 HH TYR 2 28.004 -1.968 -1.968
442 H LEU 3 HN LEU 3 25.499 -3.384 -3.384
443 HA LEU 3 HA LEU 3 24.032 -3.614 -3.614
444 1HB LEU 3 HB2 LEU 3 25.776 -5.100 -5.100
445 2HB LEU 3 HB1 LEU 3 24.301 -5.948 -5.948
446 HG LEU 3 HG LEU 3 24.240 -5.341 -5.341
447 1HD1 LEU 3 HD13 LEU 3 26.727 -6.676 -6.676
448 2HD1 LEU 3 HD12 LEU 3 26.133 -6.977 -6.977
449 3HD1 LEU 3 HD11 LEU 3 26.605 -5.346 -5.346
450 1HD2 LEU 3 HD21 LEU 3 23.281 -7.228 -7.228
451 2HD2 LEU 3 HD23 LEU 3 23.368 -7.459 -7.459
452 3HD2 LEU 3 HD22 LEU 3 24.634 -8.115 -8.115
453 H ARG 4 HN ARG 4 23.109 -4.632 -4.632
454 HA ARG 4 HA ARG 4 20.572 -5.717 -5.717
455 1HB ARG 4 HB2 ARG 4 21.245 -3.699 -3.699
456 2HB ARG 4 HB1 ARG 4 20.198 -5.112 -5.112
457 1HG ARG 4 HG2 ARG 4 22.006 -6.199 -6.199
458 2HG ARG 4 HG1 ARG 4 22.615 -6.191 -6.191
459 1HD ARG 4 HD2 ARG 4 23.611 -3.878 -3.878
460 2HD ARG 4 HD1 ARG 4 23.252 -4.223 -4.223
461 HE ARG 4 HE ARG 4 25.186 -5.705 -5.705
462 1HH1 ARG 4 HH11 ARG 4 23.072 -6.075 -6.075
463 2HH1 ARG 4 HH12 ARG 4 24.249 -6.804 -6.804
464 1HH2 ARG 4 HH21 ARG 4 26.878 -6.338 -6.338
465 2HH2 ARG 4 HH22 ARG 4 26.403 -6.954 -6.954
466 H ARG 5 HN ARG 5 21.623 -2.365 -2.365
467 HA ARG 5 HA ARG 5 18.922 -1.310 -1.310
468 1HB ARG 5 HB2 ARG 5 19.872 0.664 0.664
469 2HB ARG 5 HB1 ARG 5 21.139 -0.397 -0.397
470 1HG ARG 5 HG2 ARG 5 22.068 -0.119 -0.119
471 2HG ARG 5 HG1 ARG 5 21.138 1.377 1.377
472 1HD ARG 5 HD2 ARG 5 22.729 0.891 0.891
473 2HD ARG 5 HD1 ARG 5 23.709 1.101 1.101
474 HE ARG 5 HE ARG 5 21.880 3.103 3.103
475 1HH1 ARG 5 HH21 ARG 5 21.418 3.023 3.023
476 2HH1 ARG 5 HH22 ARG 5 22.586 4.163 4.163
477 1HH2 ARG 5 HH11 ARG 5 24.429 4.168 4.168
478 2HH2 ARG 5 HH12 ARG 5 24.294 4.812 4.812
479 H PHE 6 HN PHE 6 21.780 -2.161 -2.161
480 HA PHE 6 HA PHE 6 20.943 -0.710 -0.710
481 1HB PHE 6 HB2 PHE 6 23.185 -0.880 -0.880
482 2HB PHE 6 HB1 PHE 6 23.217 -2.173 -2.173
483 HD1 PHE 6 HD1 PHE 6 23.479 -1.301 -1.301
484 HD2 PHE 6 HD2 PHE 6 22.667 -4.528 -4.528
485 HE1 PHE 6 HE1 PHE 6 23.971 -2.918 -2.918
486 HE2 PHE 6 HE2 PHE 6 23.155 -6.150 -6.150
487 HZ PHE 6 HZ PHE 6 23.810 -5.358 -5.358
488 H PHE 7 HN PHE 7 21.015 -4.125 -4.125
489 HA PHE 7 HA PHE 7 19.865 -5.085 -5.085
490 1HB PHE 7 HB2 PHE 7 20.385 -7.118 -7.118
491 2HB PHE 7 HB1 PHE 7 21.305 -6.136 -6.136
492 HD1 PHE 7 HD1 PHE 7 20.872 -6.317 -6.317
493 HD2 PHE 7 HD2 PHE 7 17.876 -7.562 -7.562
494 HE1 PHE 7 HE1 PHE 7 19.478 -7.202 -7.202
495 HE2 PHE 7 HE2 PHE 7 16.487 -8.437 -8.437
496 HZ PHE 7 HZ PHE 7 17.289 -8.258 -8.258
497 H LYS 8 HN LYS 8 18.566 -3.982 -3.982
498 HA LYS 8 HA LYS 8 16.009 -5.091 -5.091
499 1HB LYS 8 HB2 LYS 8 16.380 -4.032 -4.032
500 2HB LYS 8 HB1 LYS 8 17.559 -2.968 -2.968
501 1HG LYS 8 HG2 LYS 8 15.789 -1.578 -1.578
502 2HG LYS 8 HG1 LYS 8 15.652 -1.648 -1.648
503 1HD LYS 8 HD2 LYS 8 13.441 -1.948 -1.948
504 2HD LYS 8 HD1 LYS 8 13.931 -3.413 -3.413
505 1HE LYS 8 HE2 LYS 8 14.531 -4.520 -4.520
506 2HE LYS 8 HE1 LYS 8 14.443 -3.006 -3.006
507 1HZ LYS 8 HZ3 LYS 8 12.053 -3.551 -3.551
508 2HZ LYS 8 HZ2 LYS 8 12.387 -4.759 -4.759
509 3HZ LYS 8 HZ1 LYS 8 12.231 -3.140 -3.140
510 H ALA 9 HN ALA 9 17.153 -1.976 -1.976
511 HA ALA 9 HA ALA 9 14.652 -1.282 -1.282
512 1HB ALA 9 HB1 ALA 9 16.772 0.109 0.109
513 2HB ALA 9 HB3 ALA 9 17.367 -0.373 -0.373
514 3HB ALA 9 HB2 ALA 9 15.879 0.566 0.566
515 H LYS 10 HN LYS 10 17.302 -3.335 -3.335
516 HA LYS 10 HA LYS 10 17.000 -3.392 -3.392
517 1HB LYS 10 HB2 LYS 10 18.763 -4.272 -4.272
518 2HB LYS 10 HB1 LYS 10 17.855 -5.754 -5.754
519 1HG LYS 10 HG2 LYS 10 19.432 -5.956 -5.956
520 2HG LYS 10 HG1 LYS 10 18.160 -5.096 -5.096
521 1HD LYS 10 HD2 LYS 10 19.299 -3.075 -3.075
522 2HD LYS 10 HD1 LYS 10 20.200 -3.502 -3.502
523 1HE LYS 10 HE2 LYS 10 21.629 -5.017 -5.017
524 2HE LYS 10 HE1 LYS 10 20.639 -4.820 -4.820
525 1HZ LYS 10 HZ1 LYS 10 21.203 -2.264 -2.264
526 2HZ LYS 10 HZ3 LYS 10 22.665 -3.096 -3.096
527 3HZ LYS 10 HZ2 LYS 10 21.921 -3.079 -3.079
528 H LYS 11 HN LYS 11 16.081 -5.946 -5.946
529 HA LYS 11 HA LYS 11 14.527 -7.562 -7.562
530 1HB LYS 11 HB2 LYS 11 14.668 -6.791 -6.791
531 2HB LYS 11 HB1 LYS 11 13.087 -7.419 -7.419
532 1HG LYS 11 HG2 LYS 11 15.652 -8.833 -8.833
533 2HG LYS 11 HG1 LYS 11 14.821 -9.146 -9.146
534 1HD LYS 11 HD2 LYS 11 12.753 -9.290 -9.290
535 2HD LYS 11 HD1 LYS 11 14.094 -9.965 -9.965
536 1HE LYS 11 HE2 LYS 11 14.569 -11.331 -11.331
537 2HE LYS 11 HE1 LYS 11 12.861 -10.984 -10.984
538 1HZ LYS 11 HZ1 LYS 11 12.639 -11.625 -11.625
539 2HZ LYS 11 HZ3 LYS 11 14.044 -12.519 -12.519
540 3HZ LYS 11 HZ2 LYS 11 12.625 -12.818 -12.818
541 H LEU 12 HN LEU 12 13.623 -4.425 -4.425
542 HA LEU 12 HA LEU 12 10.855 -4.449 -4.449
543 1HB LEU 12 HB2 LEU 12 13.008 -2.396 -2.396
544 2HB LEU 12 HB1 LEU 12 11.400 -1.869 -1.869
545 HG LEU 12 HG LEU 12 12.057 -3.511 -3.511
546 1HD1 LEU 12 HD13 LEU 12 12.559 -0.986 -0.986
547 2HD1 LEU 12 HD12 LEU 12 10.812 -0.762 -0.762
548 3HD1 LEU 12 HD11 LEU 12 11.522 -1.564 -1.564
549 1HD2 LEU 12 HD22 LEU 12 9.612 -3.179 -3.179
550 2HD2 LEU 12 HD21 LEU 12 9.912 -4.203 -4.203
551 3HD2 LEU 12 HD23 LEU 12 9.423 -2.524 -2.524
552 H ILE 13 HN ILE 13 13.535 -4.422 -4.422
553 HA ILE 13 HA ILE 13 11.721 -3.937 -3.937
554 HB ILE 13 HB ILE 13 13.585 -2.359 -2.359
555 1HG1 ILE 13 HG12 ILE 13 14.321 -1.124 -1.124
556 2HG1 ILE 13 HG11 ILE 13 14.411 -2.813 -2.813
557 1HG2 ILE 13 HG21 ILE 13 11.207 -1.799 -1.799
558 2HG2 ILE 13 HG23 ILE 13 12.000 -1.274 -1.274
559 3HG2 ILE 13 HG22 ILE 13 12.384 -0.488 -0.488
560 1HD1 ILE 13 HD13 ILE 13 15.735 -3.221 -3.221
561 2HD1 ILE 13 HD12 ILE 13 15.832 -1.468 -1.468
562 3HD1 ILE 13 HD11 ILE 13 16.558 -2.258 -2.258
563 H GLU 14 HN GLU 14 12.844 -6.320 -6.320
564 HA GLU 14 HA GLU 14 14.810 -6.772 -6.772
565 1HB GLU 14 HB2 GLU 14 14.673 -7.770 -7.770
566 2HB GLU 14 HB1 GLU 14 15.859 -8.344 -8.344
567 1HG GLU 14 HG2 GLU 14 15.554 -5.403 -5.403
568 2HG GLU 14 HG1 GLU 14 16.407 -6.315 -6.315
Start of MODEL 10
1 1H CYS 1 HT2 CYS 1 1.013 1.121 1.121
2 2H CYS 1 HT1 CYS 1 0.365 2.661 2.661
3 3H CYS 1 HT3 CYS 1 1.120 1.799 1.799
4 HA CYS 1 HA CYS 1 2.756 3.338 3.338
5 1HB CYS 1 HB2 CYS 1 3.147 3.760 3.760
6 2HB CYS 1 HB1 CYS 1 1.487 4.128 4.128
7 H TYR 2 HN TYR 2 3.796 1.562 1.562
8 HA TYR 2 HA TYR 2 5.019 -0.544 -0.544
9 1HB TYR 2 HB2 TYR 2 5.811 -1.290 -1.290
10 2HB TYR 2 HB1 TYR 2 4.324 -0.453 -0.453
11 HD1 TYR 2 HD1 TYR 2 4.375 1.454 1.454
12 HD2 TYR 2 HD2 TYR 2 7.998 0.003 0.003
13 HE1 TYR 2 HE1 TYR 2 5.684 3.070 3.070
14 HE2 TYR 2 HE2 TYR 2 9.306 1.612 1.612
15 HH TYR 2 HH TYR 2 9.138 2.917 2.917
16 H LEU 3 HN LEU 3 5.516 2.726 2.726
17 HA LEU 3 HA LEU 3 8.233 3.195 3.195
18 1HB LEU 3 HB2 LEU 3 5.818 4.583 4.583
19 2HB LEU 3 HB1 LEU 3 7.354 5.315 5.315
20 HG LEU 3 HG LEU 3 7.962 5.176 5.176
21 1HD1 LEU 3 HD11 LEU 3 6.317 3.332 3.332
22 2HD1 LEU 3 HD13 LEU 3 5.040 4.543 4.543
23 3HD1 LEU 3 HD12 LEU 3 6.287 4.662 4.662
24 1HD2 LEU 3 HD22 LEU 3 6.049 6.912 6.912
25 2HD2 LEU 3 HD21 LEU 3 7.273 7.322 7.322
26 3HD2 LEU 3 HD23 LEU 3 5.679 6.773 6.773
27 H ARG 4 HN ARG 4 6.173 2.873 2.873
28 HA ARG 4 HA ARG 4 8.230 3.306 3.306
29 1HB ARG 4 HB2 ARG 4 6.700 1.688 1.688
30 2HB ARG 4 HB1 ARG 4 6.062 3.245 3.245
31 1HG ARG 4 HG2 ARG 4 4.524 1.253 1.253
32 2HG ARG 4 HG1 ARG 4 4.801 2.254 2.254
33 1HD ARG 4 HD2 ARG 4 6.109 0.640 0.640
34 2HD ARG 4 HD1 ARG 4 6.598 -0.109 -0.109
35 HE ARG 4 HE ARG 4 4.269 -0.812 -0.812
36 1HH1 ARG 4 HH21 ARG 4 5.815 -0.888 -0.888
37 2HH1 ARG 4 HH22 ARG 4 4.490 -1.632 -1.632
38 1HH2 ARG 4 HH11 ARG 4 2.354 -1.487 -1.487
39 2HH2 ARG 4 HH12 ARG 4 2.530 -1.966 -1.966
40 H ARG 5 HN ARG 5 7.745 0.775 0.775
41 HA ARG 5 HA ARG 5 9.458 -1.107 -1.107
42 1HB ARG 5 HB2 ARG 5 8.411 -2.728 -2.728
43 2HB ARG 5 HB1 ARG 5 7.241 -1.451 -1.451
44 1HG ARG 5 HG2 ARG 5 8.849 -0.865 -0.865
45 2HG ARG 5 HG1 ARG 5 9.428 -2.514 -2.514
46 1HD ARG 5 HD2 ARG 5 6.467 -1.984 -1.984
47 2HD ARG 5 HD1 ARG 5 7.444 -2.136 -2.136
48 HE ARG 5 HE ARG 5 7.759 -4.233 -4.233
49 1HH1 ARG 5 HH11 ARG 5 8.710 -4.317 -4.317
50 2HH1 ARG 5 HH12 ARG 5 7.558 -5.414 -5.414
51 1HH2 ARG 5 HH21 ARG 5 5.345 -5.161 -5.161
52 2HH2 ARG 5 HH22 ARG 5 5.651 -5.892 -5.892
53 H PHE 6 HN PHE 6 9.600 1.141 1.141
54 HA PHE 6 HA PHE 6 12.191 0.065 0.065
55 1HB PHE 6 HB2 PHE 6 10.999 0.603 0.603
56 2HB PHE 6 HB1 PHE 6 9.991 1.739 1.739
57 HD1 PHE 6 HD1 PHE 6 13.140 1.266 1.266
58 HD2 PHE 6 HD2 PHE 6 10.577 4.057 4.057
59 HE1 PHE 6 HE1 PHE 6 14.415 3.133 3.133
60 HE2 PHE 6 HE2 PHE 6 11.850 5.929 5.929
61 HZ PHE 6 HZ PHE 6 13.782 5.482 5.482
62 H PHE 7 HN PHE 7 10.822 3.169 3.169
63 HA PHE 7 HA PHE 7 13.367 4.453 4.453
64 1HB PHE 7 HB2 PHE 7 12.059 6.251 6.251
65 2HB PHE 7 HB1 PHE 7 10.733 5.173 5.173
66 HD1 PHE 7 HD1 PHE 7 12.878 6.092 6.092
67 HD2 PHE 7 HD2 PHE 7 9.013 4.839 4.839
68 HE1 PHE 7 HE1 PHE 7 11.981 6.302 6.302
69 HE2 PHE 7 HE2 PHE 7 8.116 5.048 5.048
70 HZ PHE 7 HZ PHE 7 9.600 5.779 5.779
71 H LYS 8 HN LYS 8 11.570 2.342 2.342
72 HA LYS 8 HA LYS 8 12.694 2.918 2.918
73 1HB LYS 8 HB2 LYS 8 11.314 0.805 0.805
74 2HB LYS 8 HB1 LYS 8 12.557 0.124 0.124
75 1HG LYS 8 HG2 LYS 8 11.690 1.677 1.677
76 2HG LYS 8 HG1 LYS 8 10.311 1.995 1.995
77 1HD LYS 8 HD2 LYS 8 10.578 -0.797 -0.797
78 2HD LYS 8 HD1 LYS 8 10.833 -0.311 -0.311
79 1HE LYS 8 HE2 LYS 8 8.716 1.220 1.220
80 2HE LYS 8 HE1 LYS 8 8.391 0.034 0.034
81 1HZ LYS 8 HZ3 LYS 8 9.242 -0.932 -0.932
82 2HZ LYS 8 HZ2 LYS 8 7.631 -0.425 -0.425
83 3HZ LYS 8 HZ1 LYS 8 8.246 -1.682 -1.682
84 H ALA 9 HN ALA 9 13.918 0.524 0.524
85 HA ALA 9 HA ALA 9 16.364 -0.015 -0.015
86 1HB ALA 9 HB2 ALA 9 14.971 -0.759 -0.759
87 2HB ALA 9 HB1 ALA 9 16.541 -0.175 -0.175
88 3HB ALA 9 HB3 ALA 9 16.452 -1.490 -1.490
89 H LYS 10 HN LYS 10 15.396 2.512 2.512
90 HA LYS 10 HA LYS 10 17.986 3.511 3.511
91 1HB LYS 10 HB2 LYS 10 15.433 3.801 3.801
92 2HB LYS 10 HB1 LYS 10 15.669 5.286 5.286
93 1HG LYS 10 HG2 LYS 10 17.980 4.701 4.701
94 2HG LYS 10 HG1 LYS 10 16.511 4.800 4.800
95 1HD LYS 10 HD2 LYS 10 16.998 6.853 6.853
96 2HD LYS 10 HD1 LYS 10 17.856 6.989 6.989
97 1HE LYS 10 HE2 LYS 10 15.855 7.235 7.235
98 2HE LYS 10 HE1 LYS 10 14.864 6.561 6.561
99 1HZ LYS 10 HZ2 LYS 10 15.739 8.481 8.481
100 2HZ LYS 10 HZ1 LYS 10 16.250 9.176 9.176
101 3HZ LYS 10 HZ3 LYS 10 14.602 8.874 8.874
102 H LYS 11 HN LYS 11 15.481 5.086 5.086
103 HA LYS 11 HA LYS 11 17.014 7.037 7.037
104 1HB LYS 11 HB2 LYS 11 14.643 5.385 5.385
105 2HB LYS 11 HB1 LYS 11 15.378 6.293 6.293
106 1HG LYS 11 HG2 LYS 11 14.496 7.467 7.467
107 2HG LYS 11 HG1 LYS 11 13.624 7.622 7.622
108 1HD LYS 11 HD2 LYS 11 16.399 8.378 8.378
109 2HD LYS 11 HD1 LYS 11 15.655 9.314 9.314
110 1HE LYS 11 HE2 LYS 11 13.842 9.060 9.060
111 2HE LYS 11 HE1 LYS 11 15.380 9.809 9.809
112 1HZ LYS 11 HZ3 LYS 11 14.151 10.597 10.597
113 2HZ LYS 11 HZ2 LYS 11 13.511 11.239 11.239
114 3HZ LYS 11 HZ1 LYS 11 15.143 11.498 11.498
115 H LEU 12 HN LEU 12 16.936 3.585 3.585
116 HA LEU 12 HA LEU 12 18.352 3.661 3.661
117 1HB LEU 12 HB2 LEU 12 17.886 1.621 1.621
118 2HB LEU 12 HB1 LEU 12 18.816 1.227 1.227
119 HG LEU 12 HG LEU 12 16.024 2.397 2.397
120 1HD1 LEU 12 HD13 LEU 12 16.608 -0.094 -0.094
121 2HD1 LEU 12 HD12 LEU 12 16.500 -0.409 -0.409
122 3HD1 LEU 12 HD11 LEU 12 15.129 0.300 0.300
123 1HD2 LEU 12 HD23 LEU 12 18.087 1.688 1.688
124 2HD2 LEU 12 HD22 LEU 12 16.703 2.772 2.772
125 3HD2 LEU 12 HD21 LEU 12 16.488 1.034 1.034
126 H ILE 13 HN ILE 13 19.417 4.356 4.356
127 HA ILE 13 HA ILE 13 22.226 4.306 4.306
128 HB ILE 13 HB ILE 13 22.733 3.167 3.167
129 1HG1 ILE 13 HG12 ILE 13 20.445 1.535 1.535
130 2HG1 ILE 13 HG11 ILE 13 19.850 3.190 3.190
131 1HG2 ILE 13 HG22 ILE 13 21.483 1.727 1.727
132 2HG2 ILE 13 HG21 ILE 13 22.309 0.898 0.898
133 3HG2 ILE 13 HG23 ILE 13 23.199 2.018 2.018
134 1HD1 ILE 13 HD12 ILE 13 21.362 3.727 3.727
135 2HD1 ILE 13 HD11 ILE 13 21.871 2.040 2.040
136 3HD1 ILE 13 HD13 ILE 13 20.199 2.466 2.466
137 H GLU 14 HN GLU 14 20.683 6.519 6.519
138 HA GLU 14 HA GLU 14 21.873 7.674 7.674
139 1HB GLU 14 HB2 GLU 14 19.123 7.902 7.902
140 2HB GLU 14 HB1 GLU 14 19.668 8.867 8.867
141 1HG GLU 14 HG2 GLU 14 20.033 5.910 5.910
142 2HG GLU 14 HG1 GLU 14 18.409 6.537 6.537
143 1H CYS 1 HT3 CYS 1 0.872 4.844 4.844
144 2H CYS 1 HT2 CYS 1 -0.179 3.841 3.841
145 3H CYS 1 HT1 CYS 1 0.541 3.273 3.273
146 HA CYS 1 HA CYS 1 1.750 2.283 2.283
147 1HB CYS 1 HB2 CYS 1 1.484 5.109 5.109
148 2HB CYS 1 HB1 CYS 1 2.724 4.036 4.036
149 H TYR 2 HN TYR 2 2.190 4.084 4.084
150 HA TYR 2 HA TYR 2 5.168 4.190 4.190
151 1HB TYR 2 HB2 TYR 2 5.133 6.236 6.236
152 2HB TYR 2 HB1 TYR 2 3.538 6.321 6.321
153 HD1 TYR 2 HD1 TYR 2 5.356 5.363 5.363
154 HD2 TYR 2 HD2 TYR 2 1.545 6.199 6.199
155 HE1 TYR 2 HE1 TYR 2 4.318 5.283 5.283
156 HE2 TYR 2 HE2 TYR 2 0.488 6.144 6.144
157 HH TYR 2 HH TYR 2 2.075 4.901 4.901
158 H LEU 3 HN LEU 3 2.354 3.495 3.495
159 HA LEU 3 HA LEU 3 3.306 2.607 2.607
160 1HB LEU 3 HB2 LEU 3 0.994 2.591 2.591
161 2HB LEU 3 HB1 LEU 3 1.455 0.916 0.916
162 HG LEU 3 HG LEU 3 2.019 1.560 1.560
163 1HD1 LEU 3 HD12 LEU 3 0.293 3.336 3.336
164 2HD1 LEU 3 HD11 LEU 3 -0.861 2.062 2.062
165 3HD1 LEU 3 HD13 LEU 3 -0.162 2.144 2.144
166 1HD2 LEU 3 HD22 LEU 3 1.152 -0.561 -0.561
167 2HD2 LEU 3 HD21 LEU 3 1.145 -0.525 -0.525
168 3HD2 LEU 3 HD23 LEU 3 -0.321 -0.124 -0.124
169 H ARG 4 HN ARG 4 3.133 0.758 0.758
170 HA ARG 4 HA ARG 4 4.264 -1.677 -1.677
171 1HB ARG 4 HB2 ARG 4 5.042 -0.003 -0.003
172 2HB ARG 4 HB1 ARG 4 4.950 -1.762 -1.762
173 1HG ARG 4 HG2 ARG 4 2.853 -1.534 -1.534
174 2HG ARG 4 HG1 ARG 4 2.420 -0.975 -0.975
175 1HD ARG 4 HD2 ARG 4 3.185 1.385 1.385
176 2HD ARG 4 HD1 ARG 4 3.017 0.673 0.673
177 HE ARG 4 HE ARG 4 0.820 1.428 1.428
178 1HH1 ARG 4 HH21 ARG 4 0.520 -1.480 -1.480
179 2HH1 ARG 4 HH22 ARG 4 -0.401 -1.964 -1.964
180 1HH2 ARG 4 HH11 ARG 4 0.258 0.937 0.937
181 2HH2 ARG 4 HH12 ARG 4 -0.552 -0.594 -0.594
182 H ARG 5 HN ARG 5 5.776 1.462 1.462
183 HA ARG 5 HA ARG 5 8.492 0.394 0.394
184 1HB ARG 5 HB2 ARG 5 9.149 2.401 2.401
185 2HB ARG 5 HB1 ARG 5 7.480 2.459 2.459
186 1HG ARG 5 HG2 ARG 5 7.068 3.549 3.549
187 2HG ARG 5 HG1 ARG 5 8.782 3.935 3.935
188 1HD ARG 5 HD2 ARG 5 7.194 4.506 4.506
189 2HD ARG 5 HD1 ARG 5 6.837 5.532 5.532
190 HE ARG 5 HE ARG 5 9.621 5.365 5.365
191 1HH1 ARG 5 HH11 ARG 5 7.069 6.393 6.393
192 2HH1 ARG 5 HH12 ARG 5 8.048 7.558 7.558
193 1HH2 ARG 5 HH21 ARG 5 10.909 6.857 6.857
194 2HH2 ARG 5 HH22 ARG 5 10.218 7.819 7.819
195 H PHE 6 HN PHE 6 5.916 1.869 1.869
196 HA PHE 6 HA PHE 6 7.680 2.501 2.501
197 1HB PHE 6 HB2 PHE 6 6.078 4.112 4.112
198 2HB PHE 6 HB1 PHE 6 4.926 3.020 3.020
199 HD1 PHE 6 HD1 PHE 6 3.409 1.714 1.714
200 HD2 PHE 6 HD2 PHE 6 6.376 4.161 4.161
201 HE1 PHE 6 HE1 PHE 6 2.252 1.443 1.443
202 HE2 PHE 6 HE2 PHE 6 5.227 3.893 3.893
203 HZ PHE 6 HZ PHE 6 3.156 2.529 2.529
204 H PHE 7 HN PHE 7 4.998 0.229 0.229
205 HA PHE 7 HA PHE 7 5.099 -0.990 -0.990
206 1HB PHE 7 HB2 PHE 7 3.253 -2.081 -2.081
207 2HB PHE 7 HB1 PHE 7 3.367 -0.896 -0.896
208 HD1 PHE 7 HD1 PHE 7 3.491 -1.636 -1.636
209 HD2 PHE 7 HD2 PHE 7 4.669 -4.283 -4.283
210 HE1 PHE 7 HE1 PHE 7 3.788 -3.478 -3.478
211 HE2 PHE 7 HE2 PHE 7 4.970 -6.120 -6.120
212 HZ PHE 7 HZ PHE 7 4.528 -5.717 -5.717
213 H LYS 8 HN LYS 8 6.716 -1.643 -1.643
214 HA LYS 8 HA LYS 8 7.685 -4.233 -4.233
215 1HB LYS 8 HB2 LYS 8 8.160 -1.997 -1.997
216 2HB LYS 8 HB1 LYS 8 9.690 -2.761 -2.761
217 1HG LYS 8 HG2 LYS 8 8.606 -4.984 -4.984
218 2HG LYS 8 HG1 LYS 8 7.271 -4.058 -4.058
219 1HD LYS 8 HD2 LYS 8 9.591 -2.872 -2.872
220 2HD LYS 8 HD1 LYS 8 9.884 -4.611 -4.611
221 1HE LYS 8 HE2 LYS 8 7.315 -4.546 -4.546
222 2HE LYS 8 HE1 LYS 8 7.885 -2.971 -2.971
223 1HZ LYS 8 HZ1 LYS 8 9.868 -4.105 -4.105
224 2HZ LYS 8 HZ3 LYS 8 9.207 -5.599 -5.599
225 3HZ LYS 8 HZ2 LYS 8 8.437 -4.658 -4.658
226 H ALA 9 HN ALA 9 9.370 -1.148 -1.148
227 HA ALA 9 HA ALA 9 11.541 -2.334 -2.334
228 1HB ALA 9 HB3 ALA 9 10.704 0.187 0.187
229 2HB ALA 9 HB2 ALA 9 10.835 0.361 0.361
230 3HB ALA 9 HB1 ALA 9 12.227 -0.175 -0.175
231 H LYS 10 HN LYS 10 8.265 -1.619 -1.619
232 HA LYS 10 HA LYS 10 8.563 -1.367 -1.367
233 1HB LYS 10 HB2 LYS 10 6.627 -1.104 -1.104
234 2HB LYS 10 HB1 LYS 10 6.175 -2.618 -2.618
235 1HG LYS 10 HG2 LYS 10 5.199 -1.375 -1.375
236 2HG LYS 10 HG1 LYS 10 6.839 -1.000 -1.000
237 1HD LYS 10 HD2 LYS 10 6.815 0.893 0.893
238 2HD LYS 10 HD1 LYS 10 5.078 0.613 0.613
239 1HE LYS 10 HE2 LYS 10 5.417 2.368 2.368
240 2HE LYS 10 HE1 LYS 10 4.948 0.900 0.900
241 1HZ LYS 10 HZ3 LYS 10 7.778 1.538 1.538
242 2HZ LYS 10 HZ2 LYS 10 7.013 2.097 2.097
243 3HZ LYS 10 HZ1 LYS 10 7.164 0.429 0.429
244 H LYS 11 HN LYS 11 7.190 -4.120 -4.120
245 HA LYS 11 HA LYS 11 7.090 -6.120 -6.120
246 1HB LYS 11 HB2 LYS 11 7.863 -5.925 -5.925
247 2HB LYS 11 HB1 LYS 11 8.258 -7.452 -7.452
248 1HG LYS 11 HG2 LYS 11 5.519 -6.168 -6.168
249 2HG LYS 11 HG1 LYS 11 5.958 -7.376 -7.376
250 1HD LYS 11 HD2 LYS 11 6.828 -8.586 -8.586
251 2HD LYS 11 HD1 LYS 11 5.414 -7.712 -7.712
252 1HE LYS 11 HE2 LYS 11 4.650 -9.887 -9.887
253 2HE LYS 11 HE1 LYS 11 4.124 -8.707 -8.707
254 1HZ LYS 11 HZ3 LYS 11 6.818 -9.695 -9.695
255 2HZ LYS 11 HZ2 LYS 11 5.616 -10.880 -10.880
256 3HZ LYS 11 HZ1 LYS 11 5.586 -9.473 -9.473
257 H LEU 12 HN LEU 12 10.064 -4.741 -4.741
258 HA LEU 12 HA LEU 12 11.886 -6.674 -6.674
259 1HB LEU 12 HB2 LEU 12 12.285 -3.713 -3.713
260 2HB LEU 12 HB1 LEU 12 13.529 -4.961 -4.961
261 HG LEU 12 HG LEU 12 11.274 -4.508 -4.508
262 1HD1 LEU 12 HD11 LEU 12 13.556 -3.429 -3.429
263 2HD1 LEU 12 HD13 LEU 12 14.222 -5.051 -5.051
264 3HD1 LEU 12 HD12 LEU 12 13.057 -4.444 -4.444
265 1HD2 LEU 12 HD22 LEU 12 12.909 -7.020 -7.020
266 2HD2 LEU 12 HD21 LEU 12 11.152 -6.872 -6.872
267 3HD2 LEU 12 HD23 LEU 12 12.063 -6.694 -6.694
268 H ILE 13 HN ILE 13 10.658 -3.596 -3.596
269 HA ILE 13 HA ILE 13 11.667 -4.498 -4.498
270 HB ILE 13 HB ILE 13 12.188 -2.041 -2.041
271 1HG1 ILE 13 HG12 ILE 13 12.360 -1.570 -1.570
272 2HG1 ILE 13 HG11 ILE 13 10.698 -1.838 -1.838
273 1HG2 ILE 13 HG22 ILE 13 13.513 -3.923 -3.923
274 2HG2 ILE 13 HG21 ILE 13 14.070 -2.250 -2.250
275 3HG2 ILE 13 HG23 ILE 13 14.149 -3.160 -3.160
276 1HD1 ILE 13 HD12 ILE 13 11.708 -0.191 -0.191
277 2HD1 ILE 13 HD11 ILE 13 12.457 0.444 0.444
278 3HD1 ILE 13 HD13 ILE 13 10.701 0.333 0.333
279 H GLU 14 HN GLU 14 9.117 -3.462 -3.462
280 HA GLU 14 HA GLU 14 7.000 -2.474 -2.474
281 1HB GLU 14 HB2 GLU 14 7.110 -4.460 -4.460
282 2HB GLU 14 HB1 GLU 14 5.848 -4.209 -4.209
283 1HG GLU 14 HG2 GLU 14 7.978 -4.938 -4.938
284 2HG GLU 14 HG1 GLU 14 8.260 -5.906 -5.906
285 1H CYS 1 HT1 CYS 1 22.601 -7.351 -7.351
286 2H CYS 1 HT3 CYS 1 23.934 -7.525 -7.525
287 3H CYS 1 HT2 CYS 1 24.014 -6.450 -6.450
288 HA CYS 1 HA CYS 1 23.544 -4.925 -4.925
289 1HB CYS 1 HB2 CYS 1 22.195 -7.292 -7.292
290 2HB CYS 1 HB1 CYS 1 22.242 -5.673 -5.673
291 H TYR 2 HN TYR 2 22.365 -3.844 -3.844
292 HA TYR 2 HA TYR 2 19.501 -3.728 -3.728
293 1HB TYR 2 HB2 TYR 2 20.488 -5.526 -5.526
294 2HB TYR 2 HB1 TYR 2 20.142 -4.097 -4.097
295 HD1 TYR 2 HD1 TYR 2 18.074 -4.338 -4.338
296 HD2 TYR 2 HD2 TYR 2 18.561 -5.523 -5.523
297 HE1 TYR 2 HE1 TYR 2 15.653 -4.802 -4.802
298 HE2 TYR 2 HE2 TYR 2 16.159 -5.990 -5.990
299 HH TYR 2 HH TYR 2 14.275 -6.629 -6.629
300 H LEU 3 HN LEU 3 18.916 -2.147 -2.147
301 HA LEU 3 HA LEU 3 19.197 -0.007 -0.007
302 1HB LEU 3 HB2 LEU 3 22.010 -0.812 -0.812
303 2HB LEU 3 HB1 LEU 3 21.619 0.682 0.682
304 HG LEU 3 HG LEU 3 20.201 -0.906 -0.906
305 1HD1 LEU 3 HD13 LEU 3 21.686 -2.763 -2.763
306 2HD1 LEU 3 HD12 LEU 3 22.052 -2.983 -2.983
307 3HD1 LEU 3 HD11 LEU 3 20.385 -3.079 -3.079
308 1HD2 LEU 3 HD21 LEU 3 23.023 -0.122 -0.122
309 2HD2 LEU 3 HD23 LEU 3 21.804 0.053 0.053
310 3HD2 LEU 3 HD22 LEU 3 22.649 -1.481 -1.481
311 H ARG 4 HN ARG 4 21.281 -0.508 -0.508
312 HA ARG 4 HA ARG 4 20.983 2.158 2.158
313 1HB ARG 4 HB2 ARG 4 21.453 0.093 0.093
314 2HB ARG 4 HB1 ARG 4 22.509 1.408 1.408
315 1HG ARG 4 HG2 ARG 4 23.841 -0.296 -0.296
316 2HG ARG 4 HG1 ARG 4 22.798 -0.286 -0.286
317 1HD ARG 4 HD2 ARG 4 23.076 -2.570 -2.570
318 2HD ARG 4 HD1 ARG 4 21.388 -2.036 -2.036
319 HE ARG 4 HE ARG 4 21.461 -2.241 -2.241
320 1HH1 ARG 4 HH21 ARG 4 24.654 -1.888 -1.888
321 2HH1 ARG 4 HH22 ARG 4 25.258 -1.223 -1.223
322 1HH2 ARG 4 HH11 ARG 4 22.134 -0.997 -0.997
323 2HH2 ARG 4 HH12 ARG 4 23.833 -0.720 -0.720
324 H ARG 5 HN ARG 5 19.575 -1.003 -1.003
325 HA ARG 5 HA ARG 5 17.602 0.233 0.233
326 1HB ARG 5 HB2 ARG 5 16.914 -2.055 -2.055
327 2HB ARG 5 HB1 ARG 5 18.676 -2.052 -2.052
328 1HG ARG 5 HG2 ARG 5 18.192 -2.432 -2.432
329 2HG ARG 5 HG1 ARG 5 16.641 -3.030 -3.030
330 1HD ARG 5 HD2 ARG 5 18.780 -4.098 -4.098
331 2HD ARG 5 HD1 ARG 5 19.070 -4.464 -4.464
332 HE ARG 5 HE ARG 5 16.289 -4.863 -4.863
333 1HH1 ARG 5 HH21 ARG 5 19.393 -6.191 -6.191
334 2HH1 ARG 5 HH22 ARG 5 18.884 -7.835 -7.835
335 1HH2 ARG 5 HH11 ARG 5 15.642 -7.006 -7.006
336 2HH2 ARG 5 HH12 ARG 5 16.763 -8.296 -8.296
337 H PHE 6 HN PHE 6 17.857 0.331 0.331
338 HA PHE 6 HA PHE 6 14.969 -0.131 -0.131
339 1HB PHE 6 HB2 PHE 6 15.928 -1.218 -1.218
340 2HB PHE 6 HB1 PHE 6 17.480 -0.456 -0.456
341 HD1 PHE 6 HD1 PHE 6 18.135 1.563 1.563
342 HD2 PHE 6 HD2 PHE 6 14.296 -0.213 -0.213
343 HE1 PHE 6 HE1 PHE 6 17.821 2.991 2.991
344 HE2 PHE 6 HE2 PHE 6 13.971 1.214 1.214
345 HZ PHE 6 HZ PHE 6 15.734 2.830 2.830
346 H PHE 7 HN PHE 7 17.496 2.266 2.266
347 HA PHE 7 HA PHE 7 15.545 4.251 4.251
348 1HB PHE 7 HB2 PHE 7 17.424 5.595 5.595
349 2HB PHE 7 HB1 PHE 7 17.986 3.950 3.950
350 HD1 PHE 7 HD1 PHE 7 20.029 3.348 3.348
351 HD2 PHE 7 HD2 PHE 7 17.745 6.425 6.425
352 HE1 PHE 7 HE1 PHE 7 21.869 3.694 3.694
353 HE2 PHE 7 HE2 PHE 7 19.580 6.766 6.766
354 HZ PHE 7 HZ PHE 7 21.648 5.403 5.403
355 H LYS 8 HN LYS 8 17.271 3.433 3.433
356 HA LYS 8 HA LYS 8 16.922 5.782 5.782
357 1HB LYS 8 HB2 LYS 8 17.236 2.911 2.911
358 2HB LYS 8 HB1 LYS 8 16.621 3.845 3.845
359 1HG LYS 8 HG2 LYS 8 18.824 5.201 5.201
360 2HG LYS 8 HG1 LYS 8 19.300 3.606 3.606
361 1HD LYS 8 HD2 LYS 8 19.679 5.138 5.138
362 2HD LYS 8 HD1 LYS 8 18.223 4.229 4.229
363 1HE LYS 8 HE2 LYS 8 16.855 6.114 6.114
364 2HE LYS 8 HE1 LYS 8 18.359 7.043 7.043
365 1HZ LYS 8 HZ1 LYS 8 18.676 6.233 6.233
366 2HZ LYS 8 HZ3 LYS 8 16.983 6.136 6.136
367 3HZ LYS 8 HZ2 LYS 8 17.753 7.618 7.618
368 H ALA 9 HN ALA 9 14.720 2.976 2.976
369 HA ALA 9 HA ALA 9 12.642 4.147 4.147
370 1HB ALA 9 HB2 ALA 9 13.132 1.795 1.795
371 2HB ALA 9 HB1 ALA 9 11.441 2.288 2.288
372 3HB ALA 9 HB3 ALA 9 12.320 1.888 1.888
373 H LYS 10 HN LYS 10 13.574 4.331 4.331
374 HA LYS 10 HA LYS 10 11.186 5.241 5.241
375 1HB LYS 10 HB2 LYS 10 13.611 4.521 4.521
376 2HB LYS 10 HB1 LYS 10 13.835 6.264 6.264
377 1HG LYS 10 HG2 LYS 10 12.954 6.149 6.149
378 2HG LYS 10 HG1 LYS 10 11.422 6.090 6.090
379 1HD LYS 10 HD2 LYS 10 12.248 3.455 3.455
380 2HD LYS 10 HD1 LYS 10 12.771 3.988 3.988
381 1HE LYS 10 HE2 LYS 10 10.507 3.197 3.197
382 2HE LYS 10 HE1 LYS 10 10.410 4.969 4.969
383 1HZ LYS 10 HZ2 LYS 10 10.079 3.260 3.260
384 2HZ LYS 10 HZ1 LYS 10 8.810 4.005 4.005
385 3HZ LYS 10 HZ3 LYS 10 9.962 4.956 4.956
386 H LYS 11 HN LYS 11 14.010 7.266 7.266
387 HA LYS 11 HA LYS 11 12.968 9.796 9.796
388 1HB LYS 11 HB2 LYS 11 14.916 8.448 8.448
389 2HB LYS 11 HB1 LYS 11 14.406 10.062 10.062
390 1HG LYS 11 HG2 LYS 11 15.369 9.436 9.436
391 2HG LYS 11 HG1 LYS 11 16.448 9.986 9.986
392 1HD LYS 11 HD2 LYS 11 15.358 12.079 12.079
393 2HD LYS 11 HD1 LYS 11 13.939 11.509 11.509
394 1HE LYS 11 HE2 LYS 11 15.080 11.530 11.530
395 2HE LYS 11 HE1 LYS 11 16.671 11.642 11.642
396 1HZ LYS 11 HZ2 LYS 11 15.500 13.731 13.731
397 2HZ LYS 11 HZ1 LYS 11 14.636 13.706 13.706
398 3HZ LYS 11 HZ3 LYS 11 16.326 13.841 13.841
399 H LEU 12 HN LEU 12 12.359 7.553 7.553
400 HA LEU 12 HA LEU 12 10.977 9.354 9.354
401 1HB LEU 12 HB2 LEU 12 11.063 6.366 6.366
402 2HB LEU 12 HB1 LEU 12 10.100 7.104 7.104
403 HG LEU 12 HG LEU 12 13.073 7.532 7.532
404 1HD1 LEU 12 HD11 LEU 12 11.757 5.327 5.327
405 2HD1 LEU 12 HD13 LEU 12 12.206 6.303 6.303
406 3HD1 LEU 12 HD12 LEU 12 13.444 5.769 5.769
407 1HD2 LEU 12 HD23 LEU 12 11.056 8.976 8.976
408 2HD2 LEU 12 HD22 LEU 12 12.781 9.319 9.319
409 3HD2 LEU 12 HD21 LEU 12 12.187 8.237 8.237
410 H ILE 13 HN ILE 13 10.028 7.997 7.997
411 HA ILE 13 HA ILE 13 7.259 8.948 8.948
412 HB ILE 13 HB ILE 13 6.583 6.703 6.703
413 1HG1 ILE 13 HG12 ILE 13 8.566 5.235 5.235
414 2HG1 ILE 13 HG11 ILE 13 9.376 6.319 6.319
415 1HG2 ILE 13 HG22 ILE 13 6.860 7.518 7.518
416 2HG2 ILE 13 HG21 ILE 13 7.193 5.790 5.790
417 3HG2 ILE 13 HG23 ILE 13 5.660 6.434 6.434
418 1HD1 ILE 13 HD13 ILE 13 7.000 4.762 4.762
419 2HD1 ILE 13 HD12 ILE 13 8.552 3.939 3.939
420 3HD1 ILE 13 HD11 ILE 13 8.394 5.338 5.338
421 H GLU 14 HN GLU 14 9.065 10.249 10.249
422 HA GLU 14 HA GLU 14 8.132 9.714 9.714
423 1HB GLU 14 HB2 GLU 14 10.855 10.392 10.392
424 2HB GLU 14 HB1 GLU 14 10.486 10.312 10.312
425 1HG GLU 14 HG2 GLU 14 9.733 8.002 8.002
426 2HG GLU 14 HG1 GLU 14 11.424 8.192 8.192
427 1H CYS 1 HT3 CYS 1 24.643 -5.251 -5.251
428 2H CYS 1 HT2 CYS 1 24.937 -4.756 -4.756
429 3H CYS 1 HT1 CYS 1 25.218 -6.367 -6.367
430 HA CYS 1 HA CYS 1 22.951 -6.875 -6.875
431 1HB CYS 1 HB2 CYS 1 23.615 -4.895 -4.895
432 2HB CYS 1 HB1 CYS 1 22.140 -5.871 -5.871
433 H TYR 2 HN TYR 2 22.627 -5.555 -5.555
434 HA TYR 2 HA TYR 2 20.178 -4.163 -4.163
435 1HB TYR 2 HB2 TYR 2 20.767 -1.983 -1.983
436 2HB TYR 2 HB1 TYR 2 22.272 -2.654 -2.654
437 HD1 TYR 2 HD1 TYR 2 24.279 -2.001 -2.001
438 HD2 TYR 2 HD2 TYR 2 20.651 -1.605 -1.605
439 HE1 TYR 2 HE1 TYR 2 25.531 -0.890 -0.890
440 HE2 TYR 2 HE2 TYR 2 21.888 -0.493 -0.493
441 HH TYR 2 HH TYR 2 23.932 0.043 0.043
442 H LEU 3 HN LEU 3 23.265 -4.681 -4.681
443 HA LEU 3 HA LEU 3 22.853 -3.947 -3.947
444 1HB LEU 3 HB2 LEU 3 24.311 -5.962 -5.962
445 2HB LEU 3 HB1 LEU 3 24.075 -6.394 -6.394
446 HG LEU 3 HG LEU 3 25.069 -4.301 -4.301
447 1HD1 LEU 3 HD12 LEU 3 24.426 -3.495 -3.495
448 2HD1 LEU 3 HD11 LEU 3 26.179 -3.406 -3.406
449 3HD1 LEU 3 HD13 LEU 3 25.153 -2.516 -2.516
450 1HD2 LEU 3 HD21 LEU 3 26.415 -6.419 -6.419
451 2HD2 LEU 3 HD23 LEU 3 27.235 -4.993 -4.993
452 3HD2 LEU 3 HD22 LEU 3 27.014 -5.180 -5.180
453 H ARG 4 HN ARG 4 22.033 -7.042 -7.042
454 HA ARG 4 HA ARG 4 20.621 -8.275 -8.275
455 1HB ARG 4 HB2 ARG 4 19.571 -9.544 -9.544
456 2HB ARG 4 HB1 ARG 4 21.245 -9.214 -9.214
457 1HG ARG 4 HG2 ARG 4 19.207 -7.209 -7.209
458 2HG ARG 4 HG1 ARG 4 19.217 -8.752 -8.752
459 1HD ARG 4 HD2 ARG 4 21.740 -8.409 -8.409
460 2HD ARG 4 HD1 ARG 4 21.461 -6.732 -6.732
461 HE ARG 4 HE ARG 4 20.516 -6.358 -6.358
462 1HH1 ARG 4 HH21 ARG 4 21.580 -9.237 -9.237
463 2HH1 ARG 4 HH22 ARG 4 20.162 -9.905 -9.905
464 1HH2 ARG 4 HH11 ARG 4 18.059 -7.396 -7.396
465 2HH2 ARG 4 HH12 ARG 4 18.169 -8.863 -8.863
466 H ARG 5 HN ARG 5 19.670 -5.600 -5.600
467 HA ARG 5 HA ARG 5 16.903 -5.697 -5.697
468 1HB ARG 5 HB2 ARG 5 16.331 -4.591 -4.591
469 2HB ARG 5 HB1 ARG 5 17.901 -5.159 -5.159
470 1HG ARG 5 HG2 ARG 5 18.705 -2.901 -2.901
471 2HG ARG 5 HG1 ARG 5 17.050 -2.420 -2.420
472 1HD ARG 5 HD2 ARG 5 18.378 -3.787 -3.787
473 2HD ARG 5 HD1 ARG 5 19.156 -2.265 -2.265
474 HE ARG 5 HE ARG 5 16.295 -1.950 -1.950
475 1HH1 ARG 5 HH11 ARG 5 19.024 -0.752 -0.752
476 2HH1 ARG 5 HH12 ARG 5 18.381 -0.511 -0.511
477 1HH2 ARG 5 HH21 ARG 5 15.470 -2.293 -2.293
478 2HH2 ARG 5 HH22 ARG 5 16.366 -1.382 -1.382
479 H PHE 6 HN PHE 6 19.740 -4.568 -4.568
480 HA PHE 6 HA PHE 6 18.499 -2.094 -2.094
481 1HB PHE 6 HB2 PHE 6 20.415 -1.100 -1.100
482 2HB PHE 6 HB1 PHE 6 20.966 -2.641 -2.641
483 HD1 PHE 6 HD1 PHE 6 22.397 -4.116 -4.116
484 HD2 PHE 6 HD2 PHE 6 21.146 -0.278 -0.278
485 HE1 PHE 6 HE1 PHE 6 24.144 -4.198 -4.198
486 HE2 PHE 6 HE2 PHE 6 22.892 -0.357 -0.357
487 HZ PHE 6 HZ PHE 6 24.406 -2.319 -2.319
488 H PHE 7 HN PHE 7 20.657 -4.829 -4.829
489 HA PHE 7 HA PHE 7 20.493 -4.313 -4.313
490 1HB PHE 7 HB2 PHE 7 22.096 -5.974 -5.974
491 2HB PHE 7 HB1 PHE 7 22.252 -5.527 -5.527
492 HD1 PHE 7 HD1 PHE 7 22.076 -7.173 -7.173
493 HD2 PHE 7 HD2 PHE 7 20.350 -7.869 -7.869
494 HE1 PHE 7 HE1 PHE 7 21.543 -9.507 -9.507
495 HE2 PHE 7 HE2 PHE 7 19.813 -10.198 -10.198
496 HZ PHE 7 HZ PHE 7 20.411 -11.017 -11.017
497 H LYS 8 HN LYS 8 18.623 -6.164 -6.164
498 HA LYS 8 HA LYS 8 17.393 -8.013 -8.013
499 1HB LYS 8 HB2 LYS 8 17.096 -6.938 -6.938
500 2HB LYS 8 HB1 LYS 8 15.522 -7.244 -7.244
501 1HG LYS 8 HG2 LYS 8 16.278 -9.545 -9.545
502 2HG LYS 8 HG1 LYS 8 17.801 -9.228 -9.228
503 1HD LYS 8 HD2 LYS 8 16.057 -8.500 -8.500
504 2HD LYS 8 HD1 LYS 8 15.105 -9.742 -9.742
505 1HE LYS 8 HE2 LYS 8 17.986 -10.318 -10.318
506 2HE LYS 8 HE1 LYS 8 16.775 -10.446 -10.446
507 1HZ LYS 8 HZ2 LYS 8 15.421 -11.672 -11.672
508 2HZ LYS 8 HZ1 LYS 8 16.936 -11.928 -11.928
509 3HZ LYS 8 HZ3 LYS 8 16.633 -12.516 -12.516
510 H ALA 9 HN ALA 9 16.238 -4.797 -4.797
511 HA ALA 9 HA ALA 9 13.991 -4.762 -4.762
512 1HB ALA 9 HB3 ALA 9 15.515 -2.750 -2.750
513 2HB ALA 9 HB2 ALA 9 14.166 -2.249 -2.249
514 3HB ALA 9 HB1 ALA 9 13.903 -3.402 -3.402
515 H LYS 10 HN LYS 10 17.361 -4.034 -4.034
516 HA LYS 10 HA LYS 10 17.350 -2.228 -2.228
517 1HB LYS 10 HB2 LYS 10 19.148 -3.250 -3.250
518 2HB LYS 10 HB1 LYS 10 19.409 -4.318 -4.318
519 1HG LYS 10 HG2 LYS 10 20.691 -2.719 -2.719
520 2HG LYS 10 HG1 LYS 10 19.231 -1.745 -1.745
521 1HD LYS 10 HD2 LYS 10 19.795 -1.345 -1.345
522 2HD LYS 10 HD1 LYS 10 21.420 -1.513 -1.513
523 1HE LYS 10 HE2 LYS 10 21.268 0.440 0.440
524 2HE LYS 10 HE1 LYS 10 19.539 0.216 0.216
525 1HZ LYS 10 HZ3 LYS 10 19.252 0.522 0.522
526 2HZ LYS 10 HZ2 LYS 10 20.823 1.169 1.169
527 3HZ LYS 10 HZ1 LYS 10 19.590 1.911 1.911
528 H LYS 11 HN LYS 11 17.998 -5.745 -5.745
529 HA LYS 11 HA LYS 11 18.046 -6.206 -6.206
530 1HB LYS 11 HB2 LYS 11 17.628 -7.652 -7.652
531 2HB LYS 11 HB1 LYS 11 16.441 -8.228 -8.228
532 1HG LYS 11 HG2 LYS 11 19.438 -8.054 -8.054
533 2HG LYS 11 HG1 LYS 11 18.501 -9.533 -9.533
534 1HD LYS 11 HD2 LYS 11 17.119 -8.439 -8.439
535 2HD LYS 11 HD1 LYS 11 18.713 -7.758 -7.758
536 1HE LYS 11 HE2 LYS 11 19.700 -10.026 -10.026
537 2HE LYS 11 HE1 LYS 11 18.095 -10.711 -10.711
538 1HZ LYS 11 HZ2 LYS 11 17.347 -9.429 -9.429
539 2HZ LYS 11 HZ1 LYS 11 18.991 -9.201 -9.201
540 3HZ LYS 11 HZ3 LYS 11 18.348 -10.769 -10.769
541 H LEU 12 HN LEU 12 15.196 -5.579 -5.579
542 HA LEU 12 HA LEU 12 13.222 -6.293 -6.293
543 1HB LEU 12 HB2 LEU 12 13.339 -4.594 -4.594
544 2HB LEU 12 HB1 LEU 12 11.842 -4.752 -4.752
545 HG LEU 12 HG LEU 12 13.459 -7.029 -7.029
546 1HD1 LEU 12 HD11 LEU 12 11.181 -5.413 -5.413
547 2HD1 LEU 12 HD13 LEU 12 10.903 -7.153 -7.153
548 3HD1 LEU 12 HD12 LEU 12 12.281 -6.439 -6.439
549 1HD2 LEU 12 HD21 LEU 12 11.365 -6.889 -6.889
550 2HD2 LEU 12 HD23 LEU 12 12.479 -8.202 -8.202
551 3HD2 LEU 12 HD22 LEU 12 10.990 -8.009 -8.009
552 H ILE 13 HN ILE 13 15.404 -3.672 -3.672
553 HA ILE 13 HA ILE 13 13.877 -2.356 -2.356
554 HB ILE 13 HB ILE 13 14.330 -0.141 -0.141
555 1HG1 ILE 13 HG12 ILE 13 13.935 -1.219 -1.219
556 2HG1 ILE 13 HG11 ILE 13 15.297 -2.100 -2.100
557 1HG2 ILE 13 HG22 ILE 13 12.099 -1.369 -1.369
558 2HG2 ILE 13 HG21 ILE 13 12.287 -1.962 -1.962
559 3HG2 ILE 13 HG23 ILE 13 12.165 -0.229 -0.229
560 1HD1 ILE 13 HD12 ILE 13 15.968 0.385 0.385
561 2HD1 ILE 13 HD11 ILE 13 15.051 0.788 0.788
562 3HD1 ILE 13 HD13 ILE 13 16.451 -0.276 -0.276
563 H GLU 14 HN GLU 14 16.190 -3.734 -3.734
564 HA GLU 14 HA GLU 14 18.159 -1.602 -1.602
565 1HB GLU 14 HB2 GLU 14 18.469 -4.365 -4.365
566 2HB GLU 14 HB1 GLU 14 19.836 -3.328 -3.328
567 1HG GLU 14 HG2 GLU 14 17.685 -2.212 -2.212
568 2HG GLU 14 HG1 GLU 14 18.827 -3.332 -3.332
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