Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
587667 | 2mld RC | 19813 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 H1 VAL 1 -4.540 -9.336 -4.352
2 H2 VAL 1 H2 VAL 1 -6.009 -9.062 -3.562
3 H3 VAL 1 H3 VAL 1 -4.603 -9.335 -2.663
4 HA VAL 1 HA VAL 1 -5.103 -7.016 -4.429
5 HB VAL 1 HB VAL 1 -4.906 -5.754 -2.198
6 HG11 VAL 1 HG11 VAL 1 -7.275 -5.861 -1.823
7 HG12 VAL 1 HG12 VAL 1 -7.365 -7.452 -2.581
8 HG13 VAL 1 HG13 VAL 1 -6.982 -6.034 -3.556
9 HG21 VAL 1 HG21 VAL 1 -4.121 -7.613 -0.840
10 HG22 VAL 1 HG22 VAL 1 -5.613 -8.498 -1.162
11 HG23 VAL 1 HG23 VAL 1 -5.658 -7.004 -0.224
12 H GLY 2 H GLY 2 -3.498 -5.195 -3.471
13 HA2 GLY 2 HA2 GLY 2 -1.177 -4.911 -2.751
14 HA3 GLY 2 HA3 GLY 2 -0.837 -6.462 -3.508
15 H ILE 3 H ILE 3 -0.036 -3.481 -3.922
16 HA ILE 3 HA ILE 3 -0.978 -3.170 -6.683
17 HB ILE 3 HB ILE 3 -0.534 -0.831 -6.449
18 HG12 ILE 3 HG12 ILE 3 0.675 -1.550 -3.768
19 HG13 ILE 3 HG13 ILE 3 1.559 -0.984 -5.178
20 HG21 ILE 3 HG21 ILE 3 -1.980 -0.332 -4.451
21 HG22 ILE 3 HG22 ILE 3 -1.902 -2.042 -4.053
22 HG23 ILE 3 HG23 ILE 3 -2.639 -1.522 -5.567
23 HD11 ILE 3 HD11 ILE 3 -0.450 0.568 -3.589
24 HD12 ILE 3 HD12 ILE 3 0.352 1.149 -5.044
25 HD13 ILE 3 HD13 ILE 3 1.294 0.802 -3.592
26 H ASN 4 H ASN 4 0.683 -1.689 -7.917
27 HA ASN 4 HA ASN 4 3.125 -3.317 -8.043
28 HB2 ASN 4 HB2 ASN 4 1.696 -3.301 -10.079
29 HB3 ASN 4 HB3 ASN 4 1.904 -1.556 -10.188
30 HD21 ASN 4 HD21 ASN 4 2.873 -1.686 -12.197
31 HD22 ASN 4 HD22 ASN 4 4.481 -2.280 -12.416
32 H VAL 5 H VAL 5 3.821 -1.996 -6.217
33 HA VAL 5 HA VAL 5 5.026 0.521 -7.119
34 HB VAL 5 HB VAL 5 2.892 0.568 -5.486
35 HG11 VAL 5 HG11 VAL 5 3.556 0.783 -3.183
36 HG12 VAL 5 HG12 VAL 5 5.200 0.304 -3.596
37 HG13 VAL 5 HG13 VAL 5 3.869 -0.837 -3.799
38 HG21 VAL 5 HG21 VAL 5 3.664 2.735 -4.658
39 HG22 VAL 5 HG22 VAL 5 4.036 2.534 -6.368
40 HG23 VAL 5 HG23 VAL 5 5.307 2.348 -5.163
41 H ASP 6 H ASP 6 6.646 1.185 -5.195
42 HA ASP 6 HA ASP 6 8.053 -1.231 -4.317
43 HB2 ASP 6 HB2 ASP 6 10.209 -0.215 -4.811
44 HB3 ASP 6 HB3 ASP 6 9.233 -0.330 -6.264
45 H CYS 7 H CYS 7 7.973 -1.257 -2.228
46 HA CYS 7 HA CYS 7 7.762 1.240 -0.744
47 HB2 CYS 7 HB2 CYS 7 7.355 -0.308 1.215
48 HB3 CYS 7 HB3 CYS 7 6.144 -0.330 -0.051
49 H LYS 8 H LYS 8 9.414 2.132 0.281
50 HA LYS 8 HA LYS 8 11.730 0.550 1.040
51 HB2 LYS 8 HB2 LYS 8 10.996 3.400 1.763
52 HB3 LYS 8 HB3 LYS 8 12.562 2.644 2.017
53 HG2 LYS 8 HG2 LYS 8 12.918 2.484 -0.363
54 HG3 LYS 8 HG3 LYS 8 11.293 3.105 -0.666
55 HD2 LYS 8 HD2 LYS 8 13.474 4.625 0.764
56 HD3 LYS 8 HD3 LYS 8 13.072 4.817 -0.942
57 HE2 LYS 8 HE2 LYS 8 10.792 5.485 -0.312
58 HE3 LYS 8 HE3 LYS 8 11.226 5.330 1.388
59 HZ1 LYS 8 HZ1 LYS 8 11.334 7.618 0.685
60 HZ2 LYS 8 HZ2 LYS 8 12.422 7.232 -0.550
61 HZ3 LYS 8 HZ3 LYS 8 12.886 7.068 1.069
62 H HIS 9 H HIS 9 8.659 1.408 2.130
63 HA HIS 9 HA HIS 9 8.843 -0.083 4.538
64 HB2 HIS 9 HB2 HIS 9 8.201 1.888 6.046
65 HB3 HIS 9 HB3 HIS 9 9.892 1.748 5.588
66 HD1 HIS 9 HD1 HIS 9 10.886 3.610 4.153
67 HD2 HIS 9 HD2 HIS 9 6.832 4.095 4.941
68 HE1 HIS 9 HE1 HIS 9 10.311 5.911 3.348
69 HE2 HIS 9 HE2 HIS 9 7.905 6.263 4.020
70 H SER 10 H SER 10 6.746 0.137 5.827
71 HA SER 10 HA SER 10 4.624 -0.287 3.973
72 HB2 SER 10 HB2 SER 10 3.309 -0.551 6.189
73 HB3 SER 10 HB3 SER 10 4.607 -1.696 5.839
74 HG SER 10 HG SER 10 4.396 0.142 7.847
75 H GLY 11 H GLY 11 5.530 2.386 6.047
76 HA2 GLY 11 HA2 GLY 11 3.065 3.693 6.233
77 HA3 GLY 11 HA3 GLY 11 4.631 4.471 6.355
78 H GLN 12 H GLN 12 5.315 3.581 3.572
79 HA GLN 12 HA GLN 12 4.059 5.864 2.276
80 HB2 GLN 12 HB2 GLN 12 5.740 5.641 0.570
81 HB3 GLN 12 HB3 GLN 12 6.523 5.504 2.138
82 HG2 GLN 12 HG2 GLN 12 6.607 3.093 1.911
83 HG3 GLN 12 HG3 GLN 12 5.765 3.196 0.365
84 HE21 GLN 12 HE21 GLN 12 6.854 4.001 -1.429
85 HE22 GLN 12 HE22 GLN 12 8.582 4.106 -1.476
86 H CYS 13 H CYS 13 3.139 2.795 2.691
87 HA CYS 13 HA CYS 13 2.359 2.198 -0.036
88 HB2 CYS 13 HB2 CYS 13 1.878 0.776 2.587
89 HB3 CYS 13 HB3 CYS 13 1.255 0.208 1.044
90 H LEU 14 H LEU 14 1.166 3.952 2.570
91 HA LEU 14 HA LEU 14 -1.570 3.327 2.501
92 HB2 LEU 14 HB2 LEU 14 -0.257 5.918 3.315
93 HB3 LEU 14 HB3 LEU 14 -1.881 5.414 3.734
94 HG LEU 14 HG LEU 14 0.697 4.154 4.667
95 HD11 LEU 14 HD11 LEU 14 0.153 6.249 5.769
96 HD12 LEU 14 HD12 LEU 14 -0.037 4.888 6.873
97 HD13 LEU 14 HD13 LEU 14 -1.459 5.643 6.151
98 HD21 LEU 14 HD21 LEU 14 -0.906 2.398 4.335
99 HD22 LEU 14 HD22 LEU 14 -2.158 3.324 5.166
100 HD23 LEU 14 HD23 LEU 14 -0.765 2.718 6.064
101 H LYS 15 H LYS 15 0.040 6.251 1.252
102 HA LYS 15 HA LYS 15 -2.133 7.311 -0.015
103 HB2 LYS 15 HB2 LYS 15 0.083 8.403 0.482
104 HB3 LYS 15 HB3 LYS 15 0.695 7.635 -0.977
105 HG2 LYS 15 HG2 LYS 15 -1.037 8.772 -2.281
106 HG3 LYS 15 HG3 LYS 15 -1.586 9.553 -0.800
107 HD2 LYS 15 HD2 LYS 15 0.542 10.677 -0.558
108 HD3 LYS 15 HD3 LYS 15 1.177 9.828 -1.969
109 HE2 LYS 15 HE2 LYS 15 -1.131 11.771 -1.968
110 HE3 LYS 15 HE3 LYS 15 0.508 12.122 -2.514
111 HZ1 LYS 15 HZ1 LYS 15 -0.900 11.623 -4.383
112 HZ2 LYS 15 HZ2 LYS 15 -1.350 10.139 -3.710
113 HZ3 LYS 15 HZ3 LYS 15 0.244 10.391 -4.208
114 HA PRO 16 HA PRO 16 -0.783 5.599 -4.272
115 HB2 PRO 16 HB2 PRO 16 0.844 3.411 -4.387
116 HB3 PRO 16 HB3 PRO 16 1.433 5.075 -4.456
117 HG2 PRO 16 HG2 PRO 16 1.361 3.180 -2.147
118 HG3 PRO 16 HG3 PRO 16 2.625 4.331 -2.618
119 HD2 PRO 16 HD2 PRO 16 0.868 4.844 -0.616
120 HD3 PRO 16 HD3 PRO 16 1.553 6.116 -1.642
121 H CYS 17 H CYS 17 -1.191 3.287 -1.660
122 HA CYS 17 HA CYS 17 -2.621 1.441 -3.362
123 HB2 CYS 17 HB2 CYS 17 -1.200 0.909 -1.241
124 HB3 CYS 17 HB3 CYS 17 -2.670 1.330 -0.367
125 H LYS 18 H LYS 18 -3.305 4.090 -1.243
126 HA LYS 18 HA LYS 18 -6.109 3.620 -0.985
127 HB2 LYS 18 HB2 LYS 18 -4.945 5.008 0.617
128 HB3 LYS 18 HB3 LYS 18 -4.401 6.090 -0.653
129 HG2 LYS 18 HG2 LYS 18 -6.753 6.727 -1.056
130 HG3 LYS 18 HG3 LYS 18 -7.221 5.720 0.320
131 HD2 LYS 18 HD2 LYS 18 -6.027 7.072 1.840
132 HD3 LYS 18 HD3 LYS 18 -5.162 7.895 0.541
133 HE2 LYS 18 HE2 LYS 18 -8.112 8.110 1.140
134 HE3 LYS 18 HE3 LYS 18 -6.889 9.330 1.490
135 HZ1 LYS 18 HZ1 LYS 18 -7.701 8.382 -1.204
136 HZ2 LYS 18 HZ2 LYS 18 -6.462 9.490 -0.901
137 HZ3 LYS 18 HZ3 LYS 18 -8.059 9.885 -0.519
138 H LYS 19 H LYS 19 -4.023 5.411 -3.170
139 HA LYS 19 HA LYS 19 -6.116 6.445 -4.807
140 HB2 LYS 19 HB2 LYS 19 -3.894 7.462 -4.802
141 HB3 LYS 19 HB3 LYS 19 -3.185 5.967 -5.395
142 HG2 LYS 19 HG2 LYS 19 -3.385 7.585 -7.182
143 HG3 LYS 19 HG3 LYS 19 -4.441 6.204 -7.483
144 HD2 LYS 19 HD2 LYS 19 -6.339 7.504 -6.587
145 HD3 LYS 19 HD3 LYS 19 -5.268 8.891 -6.383
146 HE2 LYS 19 HE2 LYS 19 -5.958 7.522 -8.980
147 HE3 LYS 19 HE3 LYS 19 -6.553 9.090 -8.438
148 HZ1 LYS 19 HZ1 LYS 19 -3.744 8.391 -9.100
149 HZ2 LYS 19 HZ2 LYS 19 -4.232 9.871 -8.444
150 HZ3 LYS 19 HZ3 LYS 19 -4.771 9.410 -9.975
151 H ALA 20 H ALA 20 -4.251 3.496 -4.706
152 HA ALA 20 HA ALA 20 -4.942 2.434 -7.214
153 HB1 ALA 20 HB1 ALA 20 -3.144 1.571 -5.674
154 HB2 ALA 20 HB2 ALA 20 -4.185 0.331 -6.376
155 HB3 ALA 20 HB3 ALA 20 -4.428 0.841 -4.707
156 H GLY 21 H GLY 21 -6.432 2.008 -4.013
157 HA2 GLY 21 HA2 GLY 21 -9.008 2.240 -4.439
158 HA3 GLY 21 HA3 GLY 21 -8.738 0.724 -5.283
159 H MET 22 H MET 22 -6.643 1.013 -2.665
160 HA MET 22 HA MET 22 -8.416 -0.684 -1.055
161 HB2 MET 22 HB2 MET 22 -5.398 -0.544 -1.105
162 HB3 MET 22 HB3 MET 22 -6.325 -1.506 0.037
163 HG2 MET 22 HG2 MET 22 -5.653 -3.004 -1.628
164 HG3 MET 22 HG3 MET 22 -7.349 -2.656 -1.969
165 HE1 MET 22 HE1 MET 22 -5.855 -3.137 -5.563
166 HE2 MET 22 HE2 MET 22 -7.102 -3.643 -4.424
167 HE3 MET 22 HE3 MET 22 -5.410 -4.023 -4.104
168 H ARG 23 H ARG 23 -7.492 -0.563 1.419
169 HA ARG 23 HA ARG 23 -8.106 2.228 2.056
170 HB2 ARG 23 HB2 ARG 23 -8.296 -0.279 3.735
171 HB3 ARG 23 HB3 ARG 23 -8.702 1.330 4.315
172 HG2 ARG 23 HG2 ARG 23 -10.324 1.416 2.334
173 HG3 ARG 23 HG3 ARG 23 -10.080 -0.324 2.247
174 HD2 ARG 23 HD2 ARG 23 -10.930 1.057 4.767
175 HD3 ARG 23 HD3 ARG 23 -12.082 0.478 3.571
176 HE ARG 23 HE ARG 23 -10.686 -1.732 4.006
177 HH11 ARG 23 HH11 ARG 23 -11.952 0.611 6.282
178 HH12 ARG 23 HH12 ARG 23 -12.196 -0.557 7.542
179 HH21 ARG 23 HH21 ARG 23 -10.996 -3.262 5.661
180 HH22 ARG 23 HH22 ARG 23 -11.650 -2.764 7.189
181 H PHE 24 H PHE 24 -5.960 -0.353 3.200
182 HA PHE 24 HA PHE 24 -4.192 1.716 4.342
183 HB2 PHE 24 HB2 PHE 24 -3.966 -1.143 5.164
184 HB3 PHE 24 HB3 PHE 24 -3.756 0.322 6.125
185 HD1 PHE 24 HD2 PHE 24 -5.758 1.520 6.992
186 HD2 PHE 24 HD1 PHE 24 -6.019 -2.198 4.970
187 HE1 PHE 24 HE2 PHE 24 -8.053 1.222 7.833
188 HE2 PHE 24 HE1 PHE 24 -8.307 -2.505 5.791
189 HZ PHE 24 HZ PHE 24 -9.332 -0.794 7.240
190 H GLY 25 H GLY 25 -2.044 -0.252 4.740
191 HA2 GLY 25 HA2 GLY 25 -1.347 -1.590 2.387
192 HA3 GLY 25 HA3 GLY 25 -0.693 0.038 2.281
193 H LYS 26 H LYS 26 0.456 -2.792 2.662
194 HA LYS 26 HA LYS 26 2.347 -1.972 4.762
195 HB2 LYS 26 HB2 LYS 26 0.683 -3.831 5.446
196 HB3 LYS 26 HB3 LYS 26 1.580 -4.845 4.322
197 HG2 LYS 26 HG2 LYS 26 3.645 -4.352 5.595
198 HG3 LYS 26 HG3 LYS 26 2.670 -3.467 6.766
199 HD2 LYS 26 HD2 LYS 26 2.816 -5.539 7.764
200 HD3 LYS 26 HD3 LYS 26 1.302 -5.691 6.874
201 HE2 LYS 26 HE2 LYS 26 2.582 -7.684 6.520
202 HE3 LYS 26 HE3 LYS 26 2.577 -6.760 5.020
203 HZ1 LYS 26 HZ1 LYS 26 4.783 -6.717 7.006
204 HZ2 LYS 26 HZ2 LYS 26 4.786 -5.985 5.480
205 HZ3 LYS 26 HZ3 LYS 26 4.773 -7.669 5.613
206 H CYS 27 H CYS 27 4.477 -2.716 4.436
207 HA CYS 27 HA CYS 27 5.113 -3.245 1.655
208 HB2 CYS 27 HB2 CYS 27 6.407 -1.543 2.919
209 HB3 CYS 27 HB3 CYS 27 6.966 -2.807 4.009
210 H ILE 28 H ILE 28 5.754 -5.169 0.894
211 HA ILE 28 HA ILE 28 6.185 -7.312 2.864
212 HB ILE 28 HB ILE 28 4.609 -7.437 0.286
213 HG12 ILE 28 HG12 ILE 28 3.916 -7.528 3.200
214 HG13 ILE 28 HG13 ILE 28 3.231 -6.522 1.931
215 HG21 ILE 28 HG21 ILE 28 4.368 -9.694 0.424
216 HG22 ILE 28 HG22 ILE 28 4.796 -9.765 2.135
217 HG23 ILE 28 HG23 ILE 28 6.053 -9.517 0.920
218 HD11 ILE 28 HD11 ILE 28 2.182 -8.532 0.961
219 HD12 ILE 28 HD12 ILE 28 1.630 -8.173 2.599
220 HD13 ILE 28 HD13 ILE 28 2.794 -9.470 2.325
221 H ASN 29 H ASN 29 6.371 -8.371 -0.361
222 HA ASN 29 HA ASN 29 9.267 -8.521 -0.127
223 HB2 ASN 29 HB2 ASN 29 9.041 -10.064 -2.139
224 HB3 ASN 29 HB3 ASN 29 8.326 -10.625 -0.638
225 HD21 ASN 29 HD21 ASN 29 6.913 -8.218 -2.787
226 HD22 ASN 29 HD22 ASN 29 5.571 -9.189 -3.280
227 H GLY 30 H GLY 30 8.569 -6.006 -0.525
228 HA2 GLY 30 HA2 GLY 30 9.503 -4.328 -1.901
229 HA3 GLY 30 HA3 GLY 30 9.497 -5.463 -3.244
230 H LYS 31 H LYS 31 6.606 -5.924 -1.899
231 HA LYS 31 HA LYS 31 5.321 -3.995 -3.709
232 HB2 LYS 31 HB2 LYS 31 3.497 -5.549 -3.926
233 HB3 LYS 31 HB3 LYS 31 4.990 -6.430 -4.218
234 HG2 LYS 31 HG2 LYS 31 4.926 -7.352 -1.979
235 HG3 LYS 31 HG3 LYS 31 3.481 -6.412 -1.611
236 HD2 LYS 31 HD2 LYS 31 3.660 -8.516 -3.764
237 HD3 LYS 31 HD3 LYS 31 3.014 -8.781 -2.143
238 HE2 LYS 31 HE2 LYS 31 1.249 -7.184 -2.539
239 HE3 LYS 31 HE3 LYS 31 1.936 -6.752 -4.101
240 HZ1 LYS 31 HZ1 LYS 31 1.431 -8.902 -4.950
241 HZ2 LYS 31 HZ2 LYS 31 0.026 -8.314 -4.219
242 HZ3 LYS 31 HZ3 LYS 31 0.965 -9.473 -3.429
243 H CYS 32 H CYS 32 3.417 -2.975 -3.016
244 HA CYS 32 HA CYS 32 3.074 -2.834 -0.126
245 HB2 CYS 32 HB2 CYS 32 2.233 -1.061 -2.422
246 HB3 CYS 32 HB3 CYS 32 1.463 -0.907 -0.838
247 H ASP 33 H ASP 33 2.053 -4.811 0.244
248 HA ASP 33 HA ASP 33 -0.503 -5.339 -1.033
249 HB2 ASP 33 HB2 ASP 33 0.981 -7.203 -0.461
250 HB3 ASP 33 HB3 ASP 33 0.911 -6.739 1.237
251 H CYS 34 H CYS 34 -2.492 -5.046 -0.104
252 HA CYS 34 HA CYS 34 -2.540 -3.595 2.452
253 HB2 CYS 34 HB2 CYS 34 -4.173 -2.668 0.119
254 HB3 CYS 34 HB3 CYS 34 -3.670 -1.769 1.545
255 H THR 35 H THR 35 -4.950 -3.123 3.017
256 HA THR 35 HA THR 35 -6.606 -5.418 2.231
257 HB THR 35 HB THR 35 -6.837 -3.730 4.732
258 HG1 THR 35 HG1 THR 35 -5.818 -6.368 4.319
259 HG21 THR 35 HG21 THR 35 -8.949 -4.746 3.796
260 HG22 THR 35 HG22 THR 35 -8.530 -5.243 5.441
261 HG23 THR 35 HG23 THR 35 -8.216 -6.328 4.087
262 HA PRO 36 HA PRO 36 -8.965 -2.230 0.252
263 HB2 PRO 36 HB2 PRO 36 -10.671 -3.798 -1.053
264 HB3 PRO 36 HB3 PRO 36 -8.951 -3.837 -1.443
265 HG2 PRO 36 HG2 PRO 36 -10.556 -5.727 0.229
266 HG3 PRO 36 HG3 PRO 36 -9.320 -6.083 -0.990
267 HD2 PRO 36 HD2 PRO 36 -8.869 -6.012 1.738
268 HD3 PRO 36 HD3 PRO 36 -7.615 -5.808 0.502
269 H LYS 37 H LYS 37 -11.636 -2.429 -0.263
270 HA LYS 37 HA LYS 37 -12.773 -2.045 2.383
271 HB2 LYS 37 HB2 LYS 37 -14.707 -1.040 1.232
272 HB3 LYS 37 HB3 LYS 37 -13.199 -0.253 0.806
273 HG2 LYS 37 HG2 LYS 37 -14.262 -2.396 -0.974
274 HG3 LYS 37 HG3 LYS 37 -15.003 -0.797 -1.009
275 HD2 LYS 37 HD2 LYS 37 -12.763 0.177 -1.432
276 HD3 LYS 37 HD3 LYS 37 -12.104 -1.457 -1.519
277 HE2 LYS 37 HE2 LYS 37 -13.554 -1.954 -3.410
278 HE3 LYS 37 HE3 LYS 37 -14.266 -0.344 -3.304
279 HZ1 LYS 37 HZ1 LYS 37 -12.102 0.607 -3.794
280 HZ2 LYS 37 HZ2 LYS 37 -12.578 -0.451 -5.025
281 HZ3 LYS 37 HZ3 LYS 37 -11.417 -0.937 -3.893
Start of MODEL 2
1 H1 VAL 1 H1 VAL 1 -5.119 -9.131 -2.522
2 H2 VAL 1 H2 VAL 1 -5.281 -9.184 -4.202
3 H3 VAL 1 H3 VAL 1 -6.569 -8.647 -3.249
4 HA VAL 1 HA VAL 1 -5.452 -6.807 -4.321
5 HB VAL 1 HB VAL 1 -4.831 -5.504 -2.232
6 HG11 VAL 1 HG11 VAL 1 -7.097 -5.421 -1.388
7 HG12 VAL 1 HG12 VAL 1 -7.470 -6.949 -2.183
8 HG13 VAL 1 HG13 VAL 1 -7.099 -5.520 -3.148
9 HG21 VAL 1 HG21 VAL 1 -4.006 -7.310 -0.862
10 HG22 VAL 1 HG22 VAL 1 -5.577 -8.104 -0.910
11 HG23 VAL 1 HG23 VAL 1 -5.394 -6.561 -0.078
12 H GLY 2 H GLY 2 -3.467 -5.269 -3.542
13 HA2 GLY 2 HA2 GLY 2 -1.121 -5.331 -2.873
14 HA3 GLY 2 HA3 GLY 2 -1.036 -6.934 -3.580
15 H ILE 3 H ILE 3 -0.439 -3.681 -4.082
16 HA ILE 3 HA ILE 3 -0.667 -3.880 -7.001
17 HB ILE 3 HB ILE 3 -0.698 -1.576 -7.119
18 HG12 ILE 3 HG12 ILE 3 0.797 -1.533 -4.493
19 HG13 ILE 3 HG13 ILE 3 1.438 -1.134 -6.076
20 HG21 ILE 3 HG21 ILE 3 -2.119 -0.707 -5.305
21 HG22 ILE 3 HG22 ILE 3 -1.771 -2.155 -4.360
22 HG23 ILE 3 HG23 ILE 3 -2.652 -2.285 -5.883
23 HD11 ILE 3 HD11 ILE 3 -0.480 0.421 -4.401
24 HD12 ILE 3 HD12 ILE 3 -0.249 0.755 -6.114
25 HD13 ILE 3 HD13 ILE 3 1.105 0.908 -4.992
26 H ASN 4 H ASN 4 1.193 -2.577 -8.115
27 HA ASN 4 HA ASN 4 3.729 -3.707 -7.149
28 HB2 ASN 4 HB2 ASN 4 3.133 -4.466 -9.387
29 HB3 ASN 4 HB3 ASN 4 2.914 -2.805 -9.924
30 HD21 ASN 4 HD21 ASN 4 5.247 -5.207 -8.934
31 HD22 ASN 4 HD22 ASN 4 6.629 -4.427 -9.621
32 H VAL 5 H VAL 5 4.913 -2.300 -6.064
33 HA VAL 5 HA VAL 5 5.297 0.403 -6.996
34 HB VAL 5 HB VAL 5 3.069 0.240 -5.668
35 HG11 VAL 5 HG11 VAL 5 3.274 0.466 -3.272
36 HG12 VAL 5 HG12 VAL 5 5.014 0.247 -3.378
37 HG13 VAL 5 HG13 VAL 5 3.927 -1.072 -3.818
38 HG21 VAL 5 HG21 VAL 5 3.339 2.471 -4.781
39 HG22 VAL 5 HG22 VAL 5 4.135 2.344 -6.348
40 HG23 VAL 5 HG23 VAL 5 5.089 2.326 -4.869
41 H ASP 6 H ASP 6 6.455 1.557 -4.868
42 HA ASP 6 HA ASP 6 8.511 -0.364 -4.017
43 HB2 ASP 6 HB2 ASP 6 9.049 2.445 -4.956
44 HB3 ASP 6 HB3 ASP 6 10.233 1.307 -4.337
45 H CYS 7 H CYS 7 7.918 -0.502 -1.970
46 HA CYS 7 HA CYS 7 7.546 1.923 -0.387
47 HB2 CYS 7 HB2 CYS 7 7.002 0.282 1.470
48 HB3 CYS 7 HB3 CYS 7 5.870 0.352 0.138
49 H LYS 8 H LYS 8 9.085 2.717 0.894
50 HA LYS 8 HA LYS 8 11.387 1.077 1.569
51 HB2 LYS 8 HB2 LYS 8 10.696 3.864 2.526
52 HB3 LYS 8 HB3 LYS 8 12.255 3.060 2.661
53 HG2 LYS 8 HG2 LYS 8 10.902 3.880 0.105
54 HG3 LYS 8 HG3 LYS 8 12.273 4.693 0.865
55 HD2 LYS 8 HD2 LYS 8 13.614 2.646 0.586
56 HD3 LYS 8 HD3 LYS 8 12.245 1.870 -0.209
57 HE2 LYS 8 HE2 LYS 8 12.309 3.603 -1.954
58 HE3 LYS 8 HE3 LYS 8 13.715 4.321 -1.172
59 HZ1 LYS 8 HZ1 LYS 8 14.406 2.926 -2.987
60 HZ2 LYS 8 HZ2 LYS 8 13.559 1.604 -2.362
61 HZ3 LYS 8 HZ3 LYS 8 14.900 2.216 -1.533
62 H HIS 9 H HIS 9 8.298 1.803 2.671
63 HA HIS 9 HA HIS 9 8.413 -0.115 4.727
64 HB2 HIS 9 HB2 HIS 9 7.674 1.533 6.592
65 HB3 HIS 9 HB3 HIS 9 9.390 1.348 6.257
66 HD1 HIS 9 HD1 HIS 9 10.630 3.361 5.317
67 HD2 HIS 9 HD2 HIS 9 6.574 4.036 5.908
68 HE1 HIS 9 HE1 HIS 9 10.300 5.814 4.964
69 HE2 HIS 9 HE2 HIS 9 7.905 6.240 5.627
70 H SER 10 H SER 10 6.291 -0.312 5.877
71 HA SER 10 HA SER 10 4.240 -0.391 3.980
72 HB2 SER 10 HB2 SER 10 2.787 -0.936 5.946
73 HB3 SER 10 HB3 SER 10 4.262 -1.896 5.854
74 HG SER 10 HG SER 10 3.502 -0.665 7.931
75 H GLY 11 H GLY 11 4.900 1.988 6.517
76 HA2 GLY 11 HA2 GLY 11 2.507 3.335 6.633
77 HA3 GLY 11 HA3 GLY 11 4.067 4.087 6.902
78 H GLN 12 H GLN 12 5.090 3.858 4.258
79 HA GLN 12 HA GLN 12 3.687 6.123 3.120
80 HB2 GLN 12 HB2 GLN 12 5.538 6.195 1.501
81 HB3 GLN 12 HB3 GLN 12 6.113 6.174 3.162
82 HG2 GLN 12 HG2 GLN 12 6.786 3.926 3.008
83 HG3 GLN 12 HG3 GLN 12 5.903 3.689 1.504
84 HE21 GLN 12 HE21 GLN 12 8.688 5.244 2.946
85 HE22 GLN 12 HE22 GLN 12 9.573 5.449 1.476
86 H CYS 13 H CYS 13 3.254 2.882 2.892
87 HA CYS 13 HA CYS 13 2.835 2.721 0.031
88 HB2 CYS 13 HB2 CYS 13 3.459 0.847 1.901
89 HB3 CYS 13 HB3 CYS 13 1.724 0.597 1.755
90 H LEU 14 H LEU 14 1.133 3.833 2.668
91 HA LEU 14 HA LEU 14 -1.503 3.023 2.122
92 HB2 LEU 14 HB2 LEU 14 -0.223 5.204 3.688
93 HB3 LEU 14 HB3 LEU 14 -1.931 5.313 3.371
94 HG LEU 14 HG LEU 14 -2.304 3.173 4.504
95 HD11 LEU 14 HD11 LEU 14 0.668 3.267 4.890
96 HD12 LEU 14 HD12 LEU 14 -0.261 2.027 4.051
97 HD13 LEU 14 HD13 LEU 14 -0.404 2.207 5.801
98 HD21 LEU 14 HD21 LEU 14 -0.674 5.134 6.104
99 HD22 LEU 14 HD22 LEU 14 -1.761 3.915 6.772
100 HD23 LEU 14 HD23 LEU 14 -2.406 5.235 5.796
101 H LYS 15 H LYS 15 0.352 5.842 1.076
102 HA LYS 15 HA LYS 15 -1.686 7.305 -0.087
103 HB2 LYS 15 HB2 LYS 15 0.269 8.485 0.204
104 HB3 LYS 15 HB3 LYS 15 1.278 7.185 -0.410
105 HG2 LYS 15 HG2 LYS 15 1.371 8.928 -1.989
106 HG3 LYS 15 HG3 LYS 15 0.350 7.661 -2.666
107 HD2 LYS 15 HD2 LYS 15 -1.646 8.927 -1.964
108 HD3 LYS 15 HD3 LYS 15 -0.595 10.209 -1.359
109 HE2 LYS 15 HE2 LYS 15 -0.940 9.296 -4.203
110 HE3 LYS 15 HE3 LYS 15 -1.351 10.865 -3.519
111 HZ1 LYS 15 HZ1 LYS 15 1.043 11.205 -3.091
112 HZ2 LYS 15 HZ2 LYS 15 0.683 11.052 -4.735
113 HZ3 LYS 15 HZ3 LYS 15 1.378 9.757 -3.902
114 HA PRO 16 HA PRO 16 -0.866 5.333 -4.363
115 HB2 PRO 16 HB2 PRO 16 0.636 3.097 -4.577
116 HB3 PRO 16 HB3 PRO 16 1.339 4.718 -4.657
117 HG2 PRO 16 HG2 PRO 16 1.220 2.802 -2.362
118 HG3 PRO 16 HG3 PRO 16 2.575 3.813 -2.905
119 HD2 PRO 16 HD2 PRO 16 0.990 4.498 -0.809
120 HD3 PRO 16 HD3 PRO 16 1.747 5.703 -1.869
121 H CYS 17 H CYS 17 -1.142 3.284 -1.591
122 HA CYS 17 HA CYS 17 -2.609 1.178 -2.806
123 HB2 CYS 17 HB2 CYS 17 -1.469 0.881 -0.664
124 HB3 CYS 17 HB3 CYS 17 -2.502 2.102 0.073
125 H LYS 18 H LYS 18 -3.432 4.174 -1.193
126 HA LYS 18 HA LYS 18 -6.248 3.773 -1.235
127 HB2 LYS 18 HB2 LYS 18 -5.202 5.301 0.352
128 HB3 LYS 18 HB3 LYS 18 -4.584 6.284 -0.970
129 HG2 LYS 18 HG2 LYS 18 -6.517 7.351 -0.016
130 HG3 LYS 18 HG3 LYS 18 -6.914 6.771 -1.635
131 HD2 LYS 18 HD2 LYS 18 -7.924 4.755 -0.613
132 HD3 LYS 18 HD3 LYS 18 -7.629 5.454 0.978
133 HE2 LYS 18 HE2 LYS 18 -9.054 7.344 0.438
134 HE3 LYS 18 HE3 LYS 18 -9.311 6.709 -1.186
135 HZ1 LYS 18 HZ1 LYS 18 -11.161 6.202 0.282
136 HZ2 LYS 18 HZ2 LYS 18 -10.131 5.378 1.335
137 HZ3 LYS 18 HZ3 LYS 18 -10.396 4.781 -0.224
138 H LYS 19 H LYS 19 -3.878 5.265 -3.326
139 HA LYS 19 HA LYS 19 -5.602 6.405 -5.226
140 HB2 LYS 19 HB2 LYS 19 -3.191 6.882 -5.102
141 HB3 LYS 19 HB3 LYS 19 -2.830 5.231 -5.571
142 HG2 LYS 19 HG2 LYS 19 -4.436 6.989 -7.377
143 HG3 LYS 19 HG3 LYS 19 -2.679 7.127 -7.320
144 HD2 LYS 19 HD2 LYS 19 -2.514 4.709 -7.831
145 HD3 LYS 19 HD3 LYS 19 -4.269 4.646 -7.977
146 HE2 LYS 19 HE2 LYS 19 -2.399 6.305 -9.661
147 HE3 LYS 19 HE3 LYS 19 -3.207 4.821 -10.162
148 HZ1 LYS 19 HZ1 LYS 19 -4.505 7.398 -9.473
149 HZ2 LYS 19 HZ2 LYS 19 -5.344 5.967 -9.791
150 HZ3 LYS 19 HZ3 LYS 19 -4.410 6.684 -11.003
151 H ALA 20 H ALA 20 -4.316 3.159 -4.820
152 HA ALA 20 HA ALA 20 -5.326 2.087 -7.239
153 HB1 ALA 20 HB1 ALA 20 -3.519 1.047 -5.918
154 HB2 ALA 20 HB2 ALA 20 -4.828 -0.074 -6.285
155 HB3 ALA 20 HB3 ALA 20 -4.697 0.633 -4.674
156 H GLY 21 H GLY 21 -6.567 2.123 -3.903
157 HA2 GLY 21 HA2 GLY 21 -9.086 2.733 -4.152
158 HA3 GLY 21 HA3 GLY 21 -9.147 1.167 -4.935
159 H MET 22 H MET 22 -6.881 1.149 -2.420
160 HA MET 22 HA MET 22 -8.877 -0.164 -0.711
161 HB2 MET 22 HB2 MET 22 -5.931 -0.671 -1.037
162 HB3 MET 22 HB3 MET 22 -6.834 -1.275 0.346
163 HG2 MET 22 HG2 MET 22 -6.786 -3.046 -1.175
164 HG3 MET 22 HG3 MET 22 -8.397 -2.347 -1.311
165 HE1 MET 22 HE1 MET 22 -4.851 -2.636 -2.926
166 HE2 MET 22 HE2 MET 22 -5.044 -0.884 -2.846
167 HE3 MET 22 HE3 MET 22 -5.037 -1.700 -4.409
168 H ARG 23 H ARG 23 -7.598 -0.286 1.700
169 HA ARG 23 HA ARG 23 -7.869 2.531 2.431
170 HB2 ARG 23 HB2 ARG 23 -7.925 0.029 4.122
171 HB3 ARG 23 HB3 ARG 23 -8.108 1.657 4.759
172 HG2 ARG 23 HG2 ARG 23 -10.059 1.863 3.098
173 HG3 ARG 23 HG3 ARG 23 -9.961 0.106 2.996
174 HD2 ARG 23 HD2 ARG 23 -10.252 1.604 5.588
175 HD3 ARG 23 HD3 ARG 23 -11.621 1.012 4.653
176 HE ARG 23 HE ARG 23 -9.942 -1.155 5.045
177 HH11 ARG 23 HH11 ARG 23 -11.789 1.067 7.025
178 HH12 ARG 23 HH12 ARG 23 -12.073 -0.095 8.283
179 HH21 ARG 23 HH21 ARG 23 -10.310 -2.685 6.703
180 HH22 ARG 23 HH22 ARG 23 -11.227 -2.224 8.104
181 H PHE 24 H PHE 24 -5.765 -0.175 3.397
182 HA PHE 24 HA PHE 24 -3.584 1.764 3.751
183 HB2 PHE 24 HB2 PHE 24 -3.222 -0.356 5.611
184 HB3 PHE 24 HB3 PHE 24 -3.451 1.356 5.950
185 HD1 PHE 24 HD1 PHE 24 -5.400 -1.638 5.016
186 HD2 PHE 24 HD2 PHE 24 -5.245 1.916 7.321
187 HE1 PHE 24 HE1 PHE 24 -7.544 -2.231 6.034
188 HE2 PHE 24 HE2 PHE 24 -7.400 1.338 8.361
189 HZ PHE 24 HZ PHE 24 -8.555 -0.741 7.723
190 H GLY 25 H GLY 25 -1.440 0.724 3.824
191 HA2 GLY 25 HA2 GLY 25 -1.374 -1.699 2.157
192 HA3 GLY 25 HA3 GLY 25 -0.449 -0.276 1.711
193 H LYS 26 H LYS 26 0.163 -3.141 2.593
194 HA LYS 26 HA LYS 26 2.146 -2.510 4.656
195 HB2 LYS 26 HB2 LYS 26 1.026 -5.100 3.607
196 HB3 LYS 26 HB3 LYS 26 2.543 -5.067 4.481
197 HG2 LYS 26 HG2 LYS 26 0.858 -5.649 6.029
198 HG3 LYS 26 HG3 LYS 26 1.333 -3.991 6.385
199 HD2 LYS 26 HD2 LYS 26 -0.646 -3.146 5.282
200 HD3 LYS 26 HD3 LYS 26 -1.092 -4.776 4.766
201 HE2 LYS 26 HE2 LYS 26 -1.369 -5.458 7.080
202 HE3 LYS 26 HE3 LYS 26 -0.847 -3.870 7.633
203 HZ1 LYS 26 HZ1 LYS 26 -3.257 -4.111 7.678
204 HZ2 LYS 26 HZ2 LYS 26 -3.281 -4.401 6.011
205 HZ3 LYS 26 HZ3 LYS 26 -2.783 -2.894 6.606
206 H CYS 27 H CYS 27 4.296 -3.729 4.229
207 HA CYS 27 HA CYS 27 5.071 -2.991 1.491
208 HB2 CYS 27 HB2 CYS 27 6.100 -1.692 3.364
209 HB3 CYS 27 HB3 CYS 27 6.856 -3.181 3.918
210 H ILE 28 H ILE 28 5.111 -4.749 0.260
211 HA ILE 28 HA ILE 28 6.410 -7.157 1.278
212 HB ILE 28 HB ILE 28 4.326 -6.590 -0.790
213 HG12 ILE 28 HG12 ILE 28 4.712 -8.476 1.474
214 HG13 ILE 28 HG13 ILE 28 3.478 -7.248 1.270
215 HG21 ILE 28 HG21 ILE 28 5.813 -7.790 -2.159
216 HG22 ILE 28 HG22 ILE 28 4.581 -8.937 -1.646
217 HG23 ILE 28 HG23 ILE 28 6.175 -8.956 -0.894
218 HD11 ILE 28 HD11 ILE 28 2.592 -8.614 -0.635
219 HD12 ILE 28 HD12 ILE 28 2.419 -9.332 0.968
220 HD13 ILE 28 HD13 ILE 28 3.686 -9.899 -0.121
221 H ASN 29 H ASN 29 7.841 -8.255 -0.392
222 HA ASN 29 HA ASN 29 10.091 -6.836 -0.847
223 HB2 ASN 29 HB2 ASN 29 10.759 -8.523 -2.507
224 HB3 ASN 29 HB3 ASN 29 10.002 -9.254 -1.100
225 HD21 ASN 29 HD21 ASN 29 9.729 -8.605 -4.492
226 HD22 ASN 29 HD22 ASN 29 8.371 -9.639 -4.783
227 H GLY 30 H GLY 30 7.402 -7.046 -3.147
228 HA2 GLY 30 HA2 GLY 30 8.370 -4.546 -4.302
229 HA3 GLY 30 HA3 GLY 30 8.146 -5.904 -5.394
230 H LYS 31 H LYS 31 5.974 -5.742 -2.719
231 HA LYS 31 HA LYS 31 3.896 -4.822 -4.587
232 HB2 LYS 31 HB2 LYS 31 3.707 -7.128 -2.645
233 HB3 LYS 31 HB3 LYS 31 2.350 -6.460 -3.535
234 HG2 LYS 31 HG2 LYS 31 3.374 -7.122 -5.632
235 HG3 LYS 31 HG3 LYS 31 4.778 -7.746 -4.761
236 HD2 LYS 31 HD2 LYS 31 3.374 -9.371 -3.623
237 HD3 LYS 31 HD3 LYS 31 1.945 -8.722 -4.431
238 HE2 LYS 31 HE2 LYS 31 2.840 -9.388 -6.591
239 HE3 LYS 31 HE3 LYS 31 4.310 -9.977 -5.819
240 HZ1 LYS 31 HZ1 LYS 31 2.726 -11.753 -6.333
241 HZ2 LYS 31 HZ2 LYS 31 1.590 -11.041 -5.304
242 HZ3 LYS 31 HZ3 LYS 31 3.038 -11.643 -4.676
243 H CYS 32 H CYS 32 2.269 -3.606 -3.722
244 HA CYS 32 HA CYS 32 2.530 -2.868 -0.906
245 HB2 CYS 32 HB2 CYS 32 1.998 -1.213 -2.885
246 HB3 CYS 32 HB3 CYS 32 0.363 -1.839 -2.704
247 H ASP 33 H ASP 33 1.917 -4.868 -0.021
248 HA ASP 33 HA ASP 33 -0.544 -6.111 -0.775
249 HB2 ASP 33 HB2 ASP 33 1.272 -7.435 0.148
250 HB3 ASP 33 HB3 ASP 33 1.218 -6.529 1.651
251 H CYS 34 H CYS 34 -2.240 -4.894 -0.558
252 HA CYS 34 HA CYS 34 -2.541 -3.035 1.619
253 HB2 CYS 34 HB2 CYS 34 -4.117 -3.616 -0.872
254 HB3 CYS 34 HB3 CYS 34 -4.648 -2.449 0.333
255 H THR 35 H THR 35 -4.611 -2.759 2.699
256 HA THR 35 HA THR 35 -6.244 -5.192 2.824
257 HB THR 35 HB THR 35 -5.726 -3.349 5.173
258 HG1 THR 35 HG1 THR 35 -4.874 -6.026 5.132
259 HG21 THR 35 HG21 THR 35 -7.941 -4.611 4.913
260 HG22 THR 35 HG22 THR 35 -7.057 -4.818 6.431
261 HG23 THR 35 HG23 THR 35 -6.990 -6.075 5.195
262 HA PRO 36 HA PRO 36 -9.056 -1.954 1.632
263 HB2 PRO 36 HB2 PRO 36 -11.024 -3.542 0.746
264 HB3 PRO 36 HB3 PRO 36 -9.528 -3.332 -0.152
265 HG2 PRO 36 HG2 PRO 36 -10.437 -5.626 1.491
266 HG3 PRO 36 HG3 PRO 36 -9.412 -5.608 0.049
267 HD2 PRO 36 HD2 PRO 36 -8.546 -5.802 2.718
268 HD3 PRO 36 HD3 PRO 36 -7.532 -5.492 1.302
269 H LYS 37 H LYS 37 -11.807 -2.382 1.857
270 HA LYS 37 HA LYS 37 -12.133 -1.892 4.666
271 HB2 LYS 37 HB2 LYS 37 -14.431 -1.281 4.165
272 HB3 LYS 37 HB3 LYS 37 -13.329 -0.476 3.065
273 HG2 LYS 37 HG2 LYS 37 -14.821 -2.977 2.317
274 HG3 LYS 37 HG3 LYS 37 -15.488 -1.362 2.090
275 HD2 LYS 37 HD2 LYS 37 -13.452 -0.815 0.733
276 HD3 LYS 37 HD3 LYS 37 -13.008 -2.519 0.828
277 HE2 LYS 37 HE2 LYS 37 -15.169 -3.104 -0.209
278 HE3 LYS 37 HE3 LYS 37 -15.524 -1.388 -0.382
279 HZ1 LYS 37 HZ1 LYS 37 -14.660 -2.258 -2.431
280 HZ2 LYS 37 HZ2 LYS 37 -13.283 -2.856 -1.657
281 HZ3 LYS 37 HZ3 LYS 37 -13.528 -1.188 -1.770
Start of MODEL 3
1 H1 VAL 1 H1 VAL 1 -5.292 -9.213 -3.005
2 H2 VAL 1 H2 VAL 1 -5.354 -9.065 -4.686
3 H3 VAL 1 H3 VAL 1 -6.693 -8.628 -3.752
4 HA VAL 1 HA VAL 1 -5.504 -6.692 -4.535
5 HB VAL 1 HB VAL 1 -5.049 -5.622 -2.304
6 HG11 VAL 1 HG11 VAL 1 -7.329 -5.600 -1.622
7 HG12 VAL 1 HG12 VAL 1 -7.638 -7.152 -2.397
8 HG13 VAL 1 HG13 VAL 1 -7.297 -5.727 -3.380
9 HG21 VAL 1 HG21 VAL 1 -4.209 -7.534 -1.096
10 HG22 VAL 1 HG22 VAL 1 -5.746 -8.373 -1.286
11 HG23 VAL 1 HG23 VAL 1 -5.652 -6.918 -0.294
12 H GLY 2 H GLY 2 -3.555 -5.281 -3.457
13 HA2 GLY 2 HA2 GLY 2 -1.234 -5.337 -2.850
14 HA3 GLY 2 HA3 GLY 2 -1.135 -6.950 -3.536
15 H ILE 3 H ILE 3 -0.638 -3.663 -4.075
16 HA ILE 3 HA ILE 3 -0.891 -3.848 -6.980
17 HB ILE 3 HB ILE 3 -0.849 -1.532 -7.059
18 HG12 ILE 3 HG12 ILE 3 0.651 -1.581 -4.432
19 HG13 ILE 3 HG13 ILE 3 1.306 -1.173 -6.008
20 HG21 ILE 3 HG21 ILE 3 -2.260 -0.691 -5.234
21 HG22 ILE 3 HG22 ILE 3 -1.902 -2.142 -4.298
22 HG23 ILE 3 HG23 ILE 3 -2.801 -2.266 -5.811
23 HD11 ILE 3 HD11 ILE 3 -0.514 0.415 -4.264
24 HD12 ILE 3 HD12 ILE 3 -0.392 0.746 -5.989
25 HD13 ILE 3 HD13 ILE 3 1.035 0.874 -4.961
26 H ASN 4 H ASN 4 0.963 -2.501 -8.110
27 HA ASN 4 HA ASN 4 3.511 -3.694 -7.254
28 HB2 ASN 4 HB2 ASN 4 2.817 -4.312 -9.535
29 HB3 ASN 4 HB3 ASN 4 2.710 -2.608 -9.967
30 HD21 ASN 4 HD21 ASN 4 4.852 -5.232 -9.184
31 HD22 ASN 4 HD22 ASN 4 6.300 -4.494 -9.778
32 H VAL 5 H VAL 5 4.753 -2.335 -6.149
33 HA VAL 5 HA VAL 5 5.170 0.376 -6.998
34 HB VAL 5 HB VAL 5 2.917 0.243 -5.682
35 HG11 VAL 5 HG11 VAL 5 3.135 0.468 -3.284
36 HG12 VAL 5 HG12 VAL 5 4.869 0.197 -3.398
37 HG13 VAL 5 HG13 VAL 5 3.742 -1.088 -3.835
38 HG21 VAL 5 HG21 VAL 5 3.223 2.466 -4.803
39 HG22 VAL 5 HG22 VAL 5 4.051 2.328 -6.354
40 HG23 VAL 5 HG23 VAL 5 4.973 2.283 -4.853
41 H ASP 6 H ASP 6 6.356 1.492 -4.919
42 HA ASP 6 HA ASP 6 8.227 -0.508 -3.862
43 HB2 ASP 6 HB2 ASP 6 8.995 2.167 -5.025
44 HB3 ASP 6 HB3 ASP 6 10.085 1.086 -4.173
45 H CYS 7 H CYS 7 7.869 -0.496 -1.801
46 HA CYS 7 HA CYS 7 7.109 1.947 -0.418
47 HB2 CYS 7 HB2 CYS 7 7.001 0.247 1.555
48 HB3 CYS 7 HB3 CYS 7 5.748 0.229 0.329
49 H LYS 8 H LYS 8 8.435 3.079 0.840
50 HA LYS 8 HA LYS 8 11.084 2.104 1.461
51 HB2 LYS 8 HB2 LYS 8 9.667 4.554 2.543
52 HB3 LYS 8 HB3 LYS 8 11.395 4.230 2.590
53 HG2 LYS 8 HG2 LYS 8 11.465 4.339 0.134
54 HG3 LYS 8 HG3 LYS 8 9.743 4.718 0.120
55 HD2 LYS 8 HD2 LYS 8 10.912 6.778 -0.098
56 HD3 LYS 8 HD3 LYS 8 10.274 6.719 1.545
57 HE2 LYS 8 HE2 LYS 8 12.544 7.552 1.573
58 HE3 LYS 8 HE3 LYS 8 12.477 5.972 2.350
59 HZ1 LYS 8 HZ1 LYS 8 13.323 4.972 0.325
60 HZ2 LYS 8 HZ2 LYS 8 14.380 6.171 0.869
61 HZ3 LYS 8 HZ3 LYS 8 13.362 6.480 -0.442
62 H HIS 9 H HIS 9 7.936 2.095 2.751
63 HA HIS 9 HA HIS 9 8.451 0.106 4.626
64 HB2 HIS 9 HB2 HIS 9 7.867 1.398 6.734
65 HB3 HIS 9 HB3 HIS 9 9.494 1.653 6.114
66 HD1 HIS 9 HD1 HIS 9 10.007 3.992 5.090
67 HD2 HIS 9 HD2 HIS 9 6.228 3.629 6.779
68 HE1 HIS 9 HE1 HIS 9 9.097 6.321 5.211
69 HE2 HIS 9 HE2 HIS 9 6.902 6.103 6.436
70 H SER 10 H SER 10 6.459 -0.447 5.866
71 HA SER 10 HA SER 10 4.291 -0.558 4.161
72 HB2 SER 10 HB2 SER 10 3.018 -1.171 6.322
73 HB3 SER 10 HB3 SER 10 4.390 -2.170 5.850
74 HG SER 10 HG SER 10 4.338 -1.510 8.107
75 H GLY 11 H GLY 11 4.814 1.666 6.863
76 HA2 GLY 11 HA2 GLY 11 2.335 2.874 6.985
77 HA3 GLY 11 HA3 GLY 11 3.843 3.660 7.417
78 H GLN 12 H GLN 12 4.924 3.549 4.661
79 HA GLN 12 HA GLN 12 3.432 5.884 3.759
80 HB2 GLN 12 HB2 GLN 12 5.348 6.362 2.295
81 HB3 GLN 12 HB3 GLN 12 5.789 6.244 3.987
82 HG2 GLN 12 HG2 GLN 12 7.512 5.156 2.916
83 HG3 GLN 12 HG3 GLN 12 6.470 3.833 3.426
84 HE21 GLN 12 HE21 GLN 12 7.534 5.763 0.720
85 HE22 GLN 12 HE22 GLN 12 7.034 4.657 -0.515
86 H CYS 13 H CYS 13 3.052 2.752 3.213
87 HA CYS 13 HA CYS 13 2.948 2.793 0.311
88 HB2 CYS 13 HB2 CYS 13 3.419 0.774 2.038
89 HB3 CYS 13 HB3 CYS 13 1.686 0.572 1.832
90 H LEU 14 H LEU 14 1.109 3.976 2.702
91 HA LEU 14 HA LEU 14 -1.526 3.252 2.122
92 HB2 LEU 14 HB2 LEU 14 -0.434 5.857 3.179
93 HB3 LEU 14 HB3 LEU 14 -2.109 5.368 3.250
94 HG LEU 14 HG LEU 14 0.211 4.095 4.691
95 HD11 LEU 14 HD11 LEU 14 -0.533 6.173 5.675
96 HD12 LEU 14 HD12 LEU 14 -0.995 4.812 6.698
97 HD13 LEU 14 HD13 LEU 14 -2.201 5.602 5.681
98 HD21 LEU 14 HD21 LEU 14 -1.260 2.331 4.044
99 HD22 LEU 14 HD22 LEU 14 -2.676 3.254 4.549
100 HD23 LEU 14 HD23 LEU 14 -1.530 2.670 5.755
101 H LYS 15 H LYS 15 0.321 6.083 1.069
102 HA LYS 15 HA LYS 15 -1.641 7.425 -0.249
103 HB2 LYS 15 HB2 LYS 15 0.486 8.397 0.363
104 HB3 LYS 15 HB3 LYS 15 1.323 7.358 -0.782
105 HG2 LYS 15 HG2 LYS 15 1.152 9.481 -1.783
106 HG3 LYS 15 HG3 LYS 15 -0.011 8.415 -2.567
107 HD2 LYS 15 HD2 LYS 15 -1.823 9.357 -1.276
108 HD3 LYS 15 HD3 LYS 15 -0.689 10.354 -0.365
109 HE2 LYS 15 HE2 LYS 15 -1.789 11.692 -2.050
110 HE3 LYS 15 HE3 LYS 15 -0.081 11.522 -2.446
111 HZ1 LYS 15 HZ1 LYS 15 -1.521 11.242 -4.379
112 HZ2 LYS 15 HZ2 LYS 15 -2.270 9.920 -3.640
113 HZ3 LYS 15 HZ3 LYS 15 -0.632 9.840 -4.055
114 HA PRO 16 HA PRO 16 -0.387 5.555 -4.488
115 HB2 PRO 16 HB2 PRO 16 0.982 3.226 -4.592
116 HB3 PRO 16 HB3 PRO 16 1.790 4.798 -4.520
117 HG2 PRO 16 HG2 PRO 16 1.216 2.860 -2.306
118 HG3 PRO 16 HG3 PRO 16 2.723 3.734 -2.661
119 HD2 PRO 16 HD2 PRO 16 1.007 4.580 -0.759
120 HD3 PRO 16 HD3 PRO 16 1.935 5.719 -1.754
121 H CYS 17 H CYS 17 -1.044 3.288 -1.882
122 HA CYS 17 HA CYS 17 -2.618 1.565 -3.578
123 HB2 CYS 17 HB2 CYS 17 -1.234 0.858 -1.533
124 HB3 CYS 17 HB3 CYS 17 -2.558 1.507 -0.567
125 H LYS 18 H LYS 18 -3.105 4.308 -1.546
126 HA LYS 18 HA LYS 18 -5.893 4.137 -1.153
127 HB2 LYS 18 HB2 LYS 18 -4.252 5.693 -0.034
128 HB3 LYS 18 HB3 LYS 18 -4.211 6.619 -1.525
129 HG2 LYS 18 HG2 LYS 18 -6.554 7.154 -1.295
130 HG3 LYS 18 HG3 LYS 18 -6.658 6.150 0.157
131 HD2 LYS 18 HD2 LYS 18 -4.903 7.573 1.185
132 HD3 LYS 18 HD3 LYS 18 -4.998 8.634 -0.220
133 HE2 LYS 18 HE2 LYS 18 -7.265 8.004 1.665
134 HE3 LYS 18 HE3 LYS 18 -6.322 9.493 1.652
135 HZ1 LYS 18 HZ1 LYS 18 -8.084 8.499 -0.522
136 HZ2 LYS 18 HZ2 LYS 18 -7.109 9.876 -0.631
137 HZ3 LYS 18 HZ3 LYS 18 -8.375 9.825 0.487
138 H LYS 19 H LYS 19 -3.860 5.463 -3.695
139 HA LYS 19 HA LYS 19 -5.854 6.388 -5.440
140 HB2 LYS 19 HB2 LYS 19 -3.543 6.958 -5.817
141 HB3 LYS 19 HB3 LYS 19 -3.096 5.265 -5.952
142 HG2 LYS 19 HG2 LYS 19 -4.570 5.159 -7.989
143 HG3 LYS 19 HG3 LYS 19 -4.687 6.917 -7.893
144 HD2 LYS 19 HD2 LYS 19 -2.942 6.216 -9.461
145 HD3 LYS 19 HD3 LYS 19 -2.265 7.101 -8.093
146 HE2 LYS 19 HE2 LYS 19 -1.491 5.083 -7.079
147 HE3 LYS 19 HE3 LYS 19 -2.373 4.093 -8.240
148 HZ1 LYS 19 HZ1 LYS 19 -0.928 4.841 -9.978
149 HZ2 LYS 19 HZ2 LYS 19 0.018 4.247 -8.708
150 HZ3 LYS 19 HZ3 LYS 19 -0.135 5.913 -8.936
151 H ALA 20 H ALA 20 -4.325 3.233 -5.039
152 HA ALA 20 HA ALA 20 -5.438 1.948 -7.265
153 HB1 ALA 20 HB1 ALA 20 -3.527 1.106 -5.899
154 HB2 ALA 20 HB2 ALA 20 -4.760 -0.109 -6.243
155 HB3 ALA 20 HB3 ALA 20 -4.686 0.649 -4.651
156 H GLY 21 H GLY 21 -6.574 2.262 -3.937
157 HA2 GLY 21 HA2 GLY 21 -9.072 2.687 -3.941
158 HA3 GLY 21 HA3 GLY 21 -9.167 1.173 -4.823
159 H MET 22 H MET 22 -6.757 1.303 -2.399
160 HA MET 22 HA MET 22 -8.510 -0.310 -0.673
161 HB2 MET 22 HB2 MET 22 -5.509 -0.394 -0.987
162 HB3 MET 22 HB3 MET 22 -6.390 -1.273 0.257
163 HG2 MET 22 HG2 MET 22 -6.022 -2.835 -1.436
164 HG3 MET 22 HG3 MET 22 -7.700 -2.337 -1.634
165 HE1 MET 22 HE1 MET 22 -6.314 -3.890 -3.950
166 HE2 MET 22 HE2 MET 22 -6.768 -2.909 -5.344
167 HE3 MET 22 HE3 MET 22 -7.938 -3.212 -4.061
168 H ARG 23 H ARG 23 -7.315 -0.318 1.702
169 HA ARG 23 HA ARG 23 -7.543 2.519 2.439
170 HB2 ARG 23 HB2 ARG 23 -8.087 0.003 4.012
171 HB3 ARG 23 HB3 ARG 23 -8.112 1.607 4.727
172 HG2 ARG 23 HG2 ARG 23 -9.815 2.182 2.898
173 HG3 ARG 23 HG3 ARG 23 -9.940 0.437 2.670
174 HD2 ARG 23 HD2 ARG 23 -10.315 1.762 5.337
175 HD3 ARG 23 HD3 ARG 23 -11.640 1.495 4.210
176 HE ARG 23 HE ARG 23 -10.307 -0.934 4.602
177 HH11 ARG 23 HH11 ARG 23 -12.284 1.345 6.370
178 HH12 ARG 23 HH12 ARG 23 -12.966 0.140 7.415
179 HH21 ARG 23 HH21 ARG 23 -11.199 -2.526 5.962
180 HH22 ARG 23 HH22 ARG 23 -12.342 -2.074 7.185
181 H PHE 24 H PHE 24 -5.877 -0.360 3.711
182 HA PHE 24 HA PHE 24 -3.618 1.390 4.443
183 HB2 PHE 24 HB2 PHE 24 -3.616 -1.115 5.874
184 HB3 PHE 24 HB3 PHE 24 -3.640 0.525 6.515
185 HD1 PHE 24 HD1 PHE 24 -5.830 -2.057 5.048
186 HD2 PHE 24 HD2 PHE 24 -5.541 1.279 7.648
187 HE1 PHE 24 HE1 PHE 24 -8.149 -2.419 5.737
188 HE2 PHE 24 HE2 PHE 24 -7.872 0.927 8.362
189 HZ PHE 24 HZ PHE 24 -9.183 -0.927 7.408
190 H GLY 25 H GLY 25 -1.499 0.308 4.422
191 HA2 GLY 25 HA2 GLY 25 -1.379 -1.846 2.421
192 HA3 GLY 25 HA3 GLY 25 -0.513 -0.346 2.125
193 H LYS 26 H LYS 26 0.336 -3.211 2.557
194 HA LYS 26 HA LYS 26 2.288 -2.682 4.693
195 HB2 LYS 26 HB2 LYS 26 1.343 -5.283 3.487
196 HB3 LYS 26 HB3 LYS 26 2.735 -5.164 4.551
197 HG2 LYS 26 HG2 LYS 26 1.216 -4.179 6.274
198 HG3 LYS 26 HG3 LYS 26 -0.137 -4.595 5.218
199 HD2 LYS 26 HD2 LYS 26 0.665 -6.957 5.246
200 HD3 LYS 26 HD3 LYS 26 1.873 -6.486 6.440
201 HE2 LYS 26 HE2 LYS 26 0.032 -7.436 7.615
202 HE3 LYS 26 HE3 LYS 26 0.002 -5.696 7.897
203 HZ1 LYS 26 HZ1 LYS 26 -2.201 -6.589 7.422
204 HZ2 LYS 26 HZ2 LYS 26 -1.671 -7.134 5.910
205 HZ3 LYS 26 HZ3 LYS 26 -1.725 -5.477 6.241
206 H CYS 27 H CYS 27 4.447 -3.723 4.251
207 HA CYS 27 HA CYS 27 5.211 -3.071 1.484
208 HB2 CYS 27 HB2 CYS 27 6.192 -1.652 3.300
209 HB3 CYS 27 HB3 CYS 27 6.983 -3.090 3.935
210 H ILE 28 H ILE 28 5.466 -4.852 0.284
211 HA ILE 28 HA ILE 28 6.786 -7.157 1.544
212 HB ILE 28 HB ILE 28 4.607 -7.076 -0.566
213 HG12 ILE 28 HG12 ILE 28 4.749 -7.981 2.293
214 HG13 ILE 28 HG13 ILE 28 3.656 -6.814 1.564
215 HG21 ILE 28 HG21 ILE 28 4.647 -9.505 -0.584
216 HG22 ILE 28 HG22 ILE 28 6.062 -9.505 0.472
217 HG23 ILE 28 HG23 ILE 28 6.178 -8.847 -1.162
218 HD11 ILE 28 HD11 ILE 28 2.572 -8.645 0.331
219 HD12 ILE 28 HD12 ILE 28 2.469 -8.835 2.081
220 HD13 ILE 28 HD13 ILE 28 3.626 -9.793 1.156
221 H ASN 29 H ASN 29 7.731 -8.543 -0.533
222 HA ASN 29 HA ASN 29 10.100 -7.418 -1.025
223 HB2 ASN 29 HB2 ASN 29 10.446 -8.953 -2.897
224 HB3 ASN 29 HB3 ASN 29 9.628 -9.746 -1.558
225 HD21 ASN 29 HD21 ASN 29 7.524 -10.444 -1.817
226 HD22 ASN 29 HD22 ASN 29 6.736 -10.490 -3.353
227 H GLY 30 H GLY 30 7.382 -7.035 -3.295
228 HA2 GLY 30 HA2 GLY 30 8.474 -4.431 -3.971
229 HA3 GLY 30 HA3 GLY 30 8.384 -5.579 -5.300
230 H LYS 31 H LYS 31 5.976 -5.828 -2.833
231 HA LYS 31 HA LYS 31 4.086 -4.559 -4.692
232 HB2 LYS 31 HB2 LYS 31 2.510 -6.348 -4.334
233 HB3 LYS 31 HB3 LYS 31 4.040 -7.019 -4.882
234 HG2 LYS 31 HG2 LYS 31 4.586 -7.515 -2.504
235 HG3 LYS 31 HG3 LYS 31 2.939 -7.040 -2.091
236 HD2 LYS 31 HD2 LYS 31 3.735 -9.273 -3.956
237 HD3 LYS 31 HD3 LYS 31 3.148 -9.458 -2.307
238 HE2 LYS 31 HE2 LYS 31 1.221 -9.841 -3.499
239 HE3 LYS 31 HE3 LYS 31 1.092 -8.107 -3.212
240 HZ1 LYS 31 HZ1 LYS 31 2.105 -9.385 -5.695
241 HZ2 LYS 31 HZ2 LYS 31 1.990 -7.722 -5.430
242 HZ3 LYS 31 HZ3 LYS 31 0.591 -8.662 -5.504
243 H CYS 32 H CYS 32 2.329 -3.515 -3.766
244 HA CYS 32 HA CYS 32 2.546 -3.006 -0.896
245 HB2 CYS 32 HB2 CYS 32 2.051 -1.200 -2.759
246 HB3 CYS 32 HB3 CYS 32 0.412 -1.822 -2.635
247 H ASP 33 H ASP 33 1.852 -5.042 -0.123
248 HA ASP 33 HA ASP 33 -0.720 -6.053 -0.906
249 HB2 ASP 33 HB2 ASP 33 0.871 -7.675 -0.177
250 HB3 ASP 33 HB3 ASP 33 1.154 -6.823 1.338
251 H CYS 34 H CYS 34 -2.476 -5.031 -0.400
252 HA CYS 34 HA CYS 34 -2.523 -3.429 2.059
253 HB2 CYS 34 HB2 CYS 34 -4.148 -3.093 -0.460
254 HB3 CYS 34 HB3 CYS 34 -4.122 -2.003 0.920
255 H THR 35 H THR 35 -4.731 -3.038 2.937
256 HA THR 35 HA THR 35 -6.579 -5.250 2.378
257 HB THR 35 HB THR 35 -6.283 -3.774 5.006
258 HG1 THR 35 HG1 THR 35 -4.828 -5.741 4.078
259 HG21 THR 35 HG21 THR 35 -8.589 -4.587 4.273
260 HG22 THR 35 HG22 THR 35 -8.005 -5.147 5.845
261 HG23 THR 35 HG23 THR 35 -7.938 -6.220 4.446
262 HA PRO 36 HA PRO 36 -8.884 -1.693 1.091
263 HB2 PRO 36 HB2 PRO 36 -10.846 -2.989 -0.172
264 HB3 PRO 36 HB3 PRO 36 -9.212 -2.945 -0.820
265 HG2 PRO 36 HG2 PRO 36 -10.625 -5.144 0.599
266 HG3 PRO 36 HG3 PRO 36 -9.453 -5.227 -0.725
267 HD2 PRO 36 HD2 PRO 36 -8.895 -5.636 1.982
268 HD3 PRO 36 HD3 PRO 36 -7.702 -5.327 0.713
269 H LYS 37 H LYS 37 -11.567 -1.671 0.856
270 HA LYS 37 HA LYS 37 -12.409 -1.633 3.637
271 HB2 LYS 37 HB2 LYS 37 -14.352 -0.288 2.819
272 HB3 LYS 37 HB3 LYS 37 -12.789 0.459 2.562
273 HG2 LYS 37 HG2 LYS 37 -14.158 -1.069 0.378
274 HG3 LYS 37 HG3 LYS 37 -14.549 0.616 0.710
275 HD2 LYS 37 HD2 LYS 37 -12.098 1.127 0.450
276 HD3 LYS 37 HD3 LYS 37 -11.886 -0.524 -0.123
277 HE2 LYS 37 HE2 LYS 37 -13.626 1.593 -1.366
278 HE3 LYS 37 HE3 LYS 37 -12.099 0.988 -1.999
279 HZ1 LYS 37 HZ1 LYS 37 -13.150 -1.218 -2.192
280 HZ2 LYS 37 HZ2 LYS 37 -13.907 -0.048 -3.148
281 HZ3 LYS 37 HZ3 LYS 37 -14.622 -0.545 -1.703
Start of MODEL 4
1 H1 VAL 1 H1 VAL 1 -6.346 -9.336 -3.761
2 H2 VAL 1 H2 VAL 1 -4.980 -9.718 -2.845
3 H3 VAL 1 H3 VAL 1 -4.847 -9.533 -4.516
4 HA VAL 1 HA VAL 1 -5.393 -7.214 -4.356
5 HB VAL 1 HB VAL 1 -5.354 -6.174 -2.049
6 HG11 VAL 1 HG11 VAL 1 -7.695 -6.405 -1.751
7 HG12 VAL 1 HG12 VAL 1 -7.704 -7.996 -2.514
8 HG13 VAL 1 HG13 VAL 1 -7.395 -6.555 -3.483
9 HG21 VAL 1 HG21 VAL 1 -4.456 -8.085 -0.829
10 HG22 VAL 1 HG22 VAL 1 -5.899 -9.023 -1.216
11 HG23 VAL 1 HG23 VAL 1 -6.021 -7.604 -0.175
12 H GLY 2 H GLY 2 -3.819 -5.529 -3.081
13 HA2 GLY 2 HA2 GLY 2 -1.537 -5.240 -2.341
14 HA3 GLY 2 HA3 GLY 2 -1.160 -6.799 -3.069
15 H ILE 3 H ILE 3 -0.405 -3.750 -3.469
16 HA ILE 3 HA ILE 3 -1.244 -3.510 -6.266
17 HB ILE 3 HB ILE 3 -0.984 -1.187 -6.059
18 HG12 ILE 3 HG12 ILE 3 0.520 -1.719 -3.485
19 HG13 ILE 3 HG13 ILE 3 1.243 -1.218 -5.007
20 HG21 ILE 3 HG21 ILE 3 -2.259 -0.658 -3.975
21 HG22 ILE 3 HG22 ILE 3 -2.009 -2.319 -3.454
22 HG23 ILE 3 HG23 ILE 3 -2.942 -1.982 -4.910
23 HD11 ILE 3 HD11 ILE 3 -0.613 0.356 -3.281
24 HD12 ILE 3 HD12 ILE 3 -0.075 0.874 -4.872
25 HD13 ILE 3 HD13 ILE 3 1.091 0.669 -3.565
26 H ASN 4 H ASN 4 0.344 -2.165 -7.570
27 HA ASN 4 HA ASN 4 2.944 -3.530 -7.462
28 HB2 ASN 4 HB2 ASN 4 1.630 -3.898 -9.517
29 HB3 ASN 4 HB3 ASN 4 1.543 -2.161 -9.776
30 HD21 ASN 4 HD21 ASN 4 4.408 -3.861 -8.644
31 HD22 ASN 4 HD22 ASN 4 5.350 -3.574 -10.064
32 H VAL 5 H VAL 5 4.166 -2.237 -6.188
33 HA VAL 5 HA VAL 5 4.761 0.450 -7.065
34 HB VAL 5 HB VAL 5 2.608 0.343 -5.469
35 HG11 VAL 5 HG11 VAL 5 3.130 0.665 -3.170
36 HG12 VAL 5 HG12 VAL 5 4.855 0.529 -3.493
37 HG13 VAL 5 HG13 VAL 5 3.801 -0.868 -3.712
38 HG21 VAL 5 HG21 VAL 5 3.099 2.627 -4.749
39 HG22 VAL 5 HG22 VAL 5 3.545 2.382 -6.438
40 HG23 VAL 5 HG23 VAL 5 4.792 2.412 -5.192
41 H ASP 6 H ASP 6 6.188 1.439 -5.069
42 HA ASP 6 HA ASP 6 8.018 -0.703 -4.213
43 HB2 ASP 6 HB2 ASP 6 8.820 2.030 -5.209
44 HB3 ASP 6 HB3 ASP 6 9.913 0.807 -4.579
45 H CYS 7 H CYS 7 7.866 -0.802 -2.094
46 HA CYS 7 HA CYS 7 7.395 1.618 -0.541
47 HB2 CYS 7 HB2 CYS 7 7.349 -0.061 1.402
48 HB3 CYS 7 HB3 CYS 7 6.013 -0.072 0.269
49 H LYS 8 H LYS 8 8.970 2.701 0.384
50 HA LYS 8 HA LYS 8 11.573 1.543 0.819
51 HB2 LYS 8 HB2 LYS 8 11.237 3.975 0.328
52 HB3 LYS 8 HB3 LYS 8 10.416 4.136 1.872
53 HG2 LYS 8 HG2 LYS 8 12.434 3.441 3.023
54 HG3 LYS 8 HG3 LYS 8 13.274 3.300 1.479
55 HD2 LYS 8 HD2 LYS 8 12.766 5.725 1.085
56 HD3 LYS 8 HD3 LYS 8 12.170 5.802 2.745
57 HE2 LYS 8 HE2 LYS 8 14.961 5.057 1.875
58 HE3 LYS 8 HE3 LYS 8 14.474 6.575 2.621
59 HZ1 LYS 8 HZ1 LYS 8 13.858 5.363 4.612
60 HZ2 LYS 8 HZ2 LYS 8 15.478 5.082 4.224
61 HZ3 LYS 8 HZ3 LYS 8 14.316 3.902 3.897
62 H HIS 9 H HIS 9 8.585 1.693 2.385
63 HA HIS 9 HA HIS 9 9.419 0.172 4.634
64 HB2 HIS 9 HB2 HIS 9 8.516 1.958 6.303
65 HB3 HIS 9 HB3 HIS 9 10.180 2.074 5.746
66 HD1 HIS 9 HD1 HIS 9 10.790 4.084 4.282
67 HD2 HIS 9 HD2 HIS 9 6.798 3.992 5.421
68 HE1 HIS 9 HE1 HIS 9 9.842 6.296 3.583
69 HE2 HIS 9 HE2 HIS 9 7.500 6.314 4.521
70 H SER 10 H SER 10 7.710 -0.616 5.853
71 HA SER 10 HA SER 10 5.172 -0.786 4.513
72 HB2 SER 10 HB2 SER 10 6.388 -2.581 5.917
73 HB3 SER 10 HB3 SER 10 5.779 -1.714 7.324
74 HG SER 10 HG SER 10 4.212 -3.129 6.938
75 H GLY 11 H GLY 11 4.802 1.542 4.557
76 HA2 GLY 11 HA2 GLY 11 2.971 2.344 6.540
77 HA3 GLY 11 HA3 GLY 11 4.527 3.109 6.845
78 H GLN 12 H GLN 12 5.200 3.152 3.981
79 HA GLN 12 HA GLN 12 3.781 5.603 3.334
80 HB2 GLN 12 HB2 GLN 12 5.448 6.005 1.719
81 HB3 GLN 12 HB3 GLN 12 6.295 5.266 3.071
82 HG2 GLN 12 HG2 GLN 12 6.308 3.130 1.926
83 HG3 GLN 12 HG3 GLN 12 5.404 3.826 0.581
84 HE21 GLN 12 HE21 GLN 12 6.943 3.483 -0.967
85 HE22 GLN 12 HE22 GLN 12 8.467 4.302 -0.986
86 H CYS 13 H CYS 13 2.916 2.520 2.935
87 HA CYS 13 HA CYS 13 2.453 2.436 0.099
88 HB2 CYS 13 HB2 CYS 13 1.469 0.642 2.325
89 HB3 CYS 13 HB3 CYS 13 1.220 0.340 0.615
90 H LEU 14 H LEU 14 0.975 3.937 2.661
91 HA LEU 14 HA LEU 14 -1.756 3.469 2.252
92 HB2 LEU 14 HB2 LEU 14 -0.383 5.900 3.373
93 HB3 LEU 14 HB3 LEU 14 -2.070 5.506 3.575
94 HG LEU 14 HG LEU 14 0.283 3.978 4.673
95 HD11 LEU 14 HD11 LEU 14 -0.192 6.009 5.880
96 HD12 LEU 14 HD12 LEU 14 -0.670 4.608 6.840
97 HD13 LEU 14 HD13 LEU 14 -1.894 5.567 6.007
98 HD21 LEU 14 HD21 LEU 14 -1.351 2.364 4.069
99 HD22 LEU 14 HD22 LEU 14 -2.660 3.349 4.726
100 HD23 LEU 14 HD23 LEU 14 -1.481 2.612 5.810
101 H LYS 15 H LYS 15 0.240 6.216 1.240
102 HA LYS 15 HA LYS 15 -1.677 7.676 -0.068
103 HB2 LYS 15 HB2 LYS 15 0.297 8.803 0.334
104 HB3 LYS 15 HB3 LYS 15 1.296 7.486 -0.260
105 HG2 LYS 15 HG2 LYS 15 0.588 7.998 -2.531
106 HG3 LYS 15 HG3 LYS 15 -0.353 9.362 -1.930
107 HD2 LYS 15 HD2 LYS 15 1.681 10.399 -1.068
108 HD3 LYS 15 HD3 LYS 15 2.632 9.020 -1.620
109 HE2 LYS 15 HE2 LYS 15 2.816 10.898 -3.169
110 HE3 LYS 15 HE3 LYS 15 2.031 9.515 -3.930
111 HZ1 LYS 15 HZ1 LYS 15 0.656 11.907 -2.835
112 HZ2 LYS 15 HZ2 LYS 15 -0.112 10.579 -3.540
113 HZ3 LYS 15 HZ3 LYS 15 0.891 11.564 -4.473
114 HA PRO 16 HA PRO 16 -0.698 5.519 -4.255
115 HB2 PRO 16 HB2 PRO 16 0.668 3.169 -4.216
116 HB3 PRO 16 HB3 PRO 16 1.450 4.739 -4.430
117 HG2 PRO 16 HG2 PRO 16 1.225 3.038 -1.987
118 HG3 PRO 16 HG3 PRO 16 2.598 4.001 -2.563
119 HD2 PRO 16 HD2 PRO 16 0.931 4.815 -0.570
120 HD3 PRO 16 HD3 PRO 16 1.777 5.940 -1.648
121 H CYS 17 H CYS 17 -1.312 3.649 -1.395
122 HA CYS 17 HA CYS 17 -2.774 1.539 -2.627
123 HB2 CYS 17 HB2 CYS 17 -1.758 1.510 -0.307
124 HB3 CYS 17 HB3 CYS 17 -3.083 2.550 0.204
125 H LYS 18 H LYS 18 -3.557 4.676 -1.307
126 HA LYS 18 HA LYS 18 -6.374 4.455 -1.525
127 HB2 LYS 18 HB2 LYS 18 -5.168 6.040 -0.066
128 HB3 LYS 18 HB3 LYS 18 -4.579 6.881 -1.491
129 HG2 LYS 18 HG2 LYS 18 -6.734 7.667 -2.032
130 HG3 LYS 18 HG3 LYS 18 -7.502 6.559 -0.887
131 HD2 LYS 18 HD2 LYS 18 -7.482 8.726 0.120
132 HD3 LYS 18 HD3 LYS 18 -6.270 7.732 0.936
133 HE2 LYS 18 HE2 LYS 18 -4.509 8.765 -0.392
134 HE3 LYS 18 HE3 LYS 18 -5.705 9.745 -1.236
135 HZ1 LYS 18 HZ1 LYS 18 -5.132 9.858 1.674
136 HZ2 LYS 18 HZ2 LYS 18 -6.262 10.812 0.855
137 HZ3 LYS 18 HZ3 LYS 18 -4.614 10.985 0.527
138 H LYS 19 H LYS 19 -3.788 5.423 -3.659
139 HA LYS 19 HA LYS 19 -5.388 6.384 -5.792
140 HB2 LYS 19 HB2 LYS 19 -3.036 6.920 -5.729
141 HB3 LYS 19 HB3 LYS 19 -2.599 5.218 -5.708
142 HG2 LYS 19 HG2 LYS 19 -3.498 4.976 -7.980
143 HG3 LYS 19 HG3 LYS 19 -3.876 6.699 -7.998
144 HD2 LYS 19 HD2 LYS 19 -1.545 7.266 -7.798
145 HD3 LYS 19 HD3 LYS 19 -1.111 5.570 -7.578
146 HE2 LYS 19 HE2 LYS 19 -2.355 6.744 -10.063
147 HE3 LYS 19 HE3 LYS 19 -0.644 6.376 -9.857
148 HZ1 LYS 19 HZ1 LYS 19 -1.797 4.616 -11.043
149 HZ2 LYS 19 HZ2 LYS 19 -2.856 4.398 -9.744
150 HZ3 LYS 19 HZ3 LYS 19 -1.212 4.049 -9.561
151 H ALA 20 H ALA 20 -4.068 3.228 -4.927
152 HA ALA 20 HA ALA 20 -4.954 1.821 -7.204
153 HB1 ALA 20 HB1 ALA 20 -3.225 1.041 -5.554
154 HB2 ALA 20 HB2 ALA 20 -4.438 -0.165 -5.989
155 HB3 ALA 20 HB3 ALA 20 -4.550 0.679 -4.446
156 H GLY 21 H GLY 21 -6.408 2.439 -4.047
157 HA2 GLY 21 HA2 GLY 21 -8.844 2.884 -4.145
158 HA3 GLY 21 HA3 GLY 21 -8.963 1.450 -5.148
159 H MET 22 H MET 22 -6.730 1.297 -2.559
160 HA MET 22 HA MET 22 -8.667 -0.342 -1.066
161 HB2 MET 22 HB2 MET 22 -5.683 -0.764 -1.294
162 HB3 MET 22 HB3 MET 22 -6.790 -1.751 -0.344
163 HG2 MET 22 HG2 MET 22 -7.970 -2.400 -2.368
164 HG3 MET 22 HG3 MET 22 -6.891 -1.392 -3.330
165 HE1 MET 22 HE1 MET 22 -5.652 -4.842 -4.491
166 HE2 MET 22 HE2 MET 22 -6.126 -3.210 -4.964
167 HE3 MET 22 HE3 MET 22 -7.310 -4.295 -4.234
168 H ARG 23 H ARG 23 -7.525 -0.702 1.335
169 HA ARG 23 HA ARG 23 -7.831 2.043 2.282
170 HB2 ARG 23 HB2 ARG 23 -8.100 -0.606 3.697
171 HB3 ARG 23 HB3 ARG 23 -8.259 0.945 4.507
172 HG2 ARG 23 HG2 ARG 23 -10.075 1.476 2.814
173 HG3 ARG 23 HG3 ARG 23 -10.009 -0.233 2.384
174 HD2 ARG 23 HD2 ARG 23 -10.446 0.712 5.200
175 HD3 ARG 23 HD3 ARG 23 -11.770 0.439 4.071
176 HE ARG 23 HE ARG 23 -10.236 -1.867 4.064
177 HH11 ARG 23 HH11 ARG 23 -12.159 -0.044 6.344
178 HH12 ARG 23 HH12 ARG 23 -12.571 -1.433 7.298
179 HH21 ARG 23 HH21 ARG 23 -10.763 -3.687 5.317
180 HH22 ARG 23 HH22 ARG 23 -11.762 -3.504 6.724
181 H PHE 24 H PHE 24 -5.994 -0.696 3.598
182 HA PHE 24 HA PHE 24 -3.894 1.222 4.365
183 HB2 PHE 24 HB2 PHE 24 -3.741 -1.332 5.723
184 HB3 PHE 24 HB3 PHE 24 -3.870 0.284 6.415
185 HD1 PHE 24 HD1 PHE 24 -5.826 -2.409 4.879
186 HD2 PHE 24 HD2 PHE 24 -5.863 0.921 7.494
187 HE1 PHE 24 HE1 PHE 24 -8.123 -2.975 5.524
188 HE2 PHE 24 HE2 PHE 24 -8.171 0.376 8.164
189 HZ PHE 24 HZ PHE 24 -9.304 -1.577 7.184
190 H GLY 25 H GLY 25 -1.691 0.321 4.420
191 HA2 GLY 25 HA2 GLY 25 -1.314 -1.710 2.320
192 HA3 GLY 25 HA3 GLY 25 -0.444 -0.186 2.266
193 H LYS 26 H LYS 26 0.860 -2.608 2.249
194 HA LYS 26 HA LYS 26 2.380 -2.515 4.724
195 HB2 LYS 26 HB2 LYS 26 0.453 -4.379 4.594
196 HB3 LYS 26 HB3 LYS 26 1.683 -5.212 3.658
197 HG2 LYS 26 HG2 LYS 26 1.874 -5.959 5.895
198 HG3 LYS 26 HG3 LYS 26 3.249 -4.904 5.575
199 HD2 LYS 26 HD2 LYS 26 2.267 -4.475 7.781
200 HD3 LYS 26 HD3 LYS 26 2.139 -3.069 6.726
201 HE2 LYS 26 HE2 LYS 26 0.081 -3.463 8.003
202 HE3 LYS 26 HE3 LYS 26 -0.183 -3.590 6.267
203 HZ1 LYS 26 HZ1 LYS 26 -0.158 -5.977 6.445
204 HZ2 LYS 26 HZ2 LYS 26 -1.292 -5.351 7.531
205 HZ3 LYS 26 HZ3 LYS 26 0.207 -5.895 8.093
206 H CYS 27 H CYS 27 4.540 -3.156 4.365
207 HA CYS 27 HA CYS 27 5.262 -3.148 1.543
208 HB2 CYS 27 HB2 CYS 27 6.447 -1.661 3.157
209 HB3 CYS 27 HB3 CYS 27 7.091 -3.096 3.949
210 H ILE 28 H ILE 28 5.596 -4.954 0.454
211 HA ILE 28 HA ILE 28 6.565 -7.305 1.922
212 HB ILE 28 HB ILE 28 4.725 -7.033 -0.461
213 HG12 ILE 28 HG12 ILE 28 4.504 -8.143 2.310
214 HG13 ILE 28 HG13 ILE 28 3.511 -6.923 1.525
215 HG21 ILE 28 HG21 ILE 28 4.735 -9.416 -0.764
216 HG22 ILE 28 HG22 ILE 28 5.924 -9.618 0.524
217 HG23 ILE 28 HG23 ILE 28 6.373 -8.798 -0.974
218 HD11 ILE 28 HD11 ILE 28 2.652 -8.695 0.015
219 HD12 ILE 28 HD12 ILE 28 2.230 -8.917 1.713
220 HD13 ILE 28 HD13 ILE 28 3.520 -9.880 0.989
221 H ASN 29 H ASN 29 7.938 -8.717 0.329
222 HA ASN 29 HA ASN 29 10.153 -7.107 -0.394
223 HB2 ASN 29 HB2 ASN 29 11.111 -9.279 -1.275
224 HB3 ASN 29 HB3 ASN 29 10.644 -9.270 0.418
225 HD21 ASN 29 HD21 ASN 29 8.276 -9.505 -2.154
226 HD22 ASN 29 HD22 ASN 29 7.850 -11.155 -1.855
227 H GLY 30 H GLY 30 8.346 -5.958 -1.885
228 HA2 GLY 30 HA2 GLY 30 9.309 -5.615 -4.350
229 HA3 GLY 30 HA3 GLY 30 8.312 -7.046 -4.568
230 H LYS 31 H LYS 31 6.261 -6.171 -2.596
231 HA LYS 31 HA LYS 31 5.042 -4.113 -4.310
232 HB2 LYS 31 HB2 LYS 31 2.938 -5.337 -4.185
233 HB3 LYS 31 HB3 LYS 31 4.212 -6.346 -4.860
234 HG2 LYS 31 HG2 LYS 31 4.472 -7.520 -2.797
235 HG3 LYS 31 HG3 LYS 31 3.346 -6.432 -1.990
236 HD2 LYS 31 HD2 LYS 31 2.166 -8.417 -2.440
237 HD3 LYS 31 HD3 LYS 31 1.588 -7.227 -3.601
238 HE2 LYS 31 HE2 LYS 31 3.732 -9.243 -4.235
239 HE3 LYS 31 HE3 LYS 31 2.020 -9.565 -4.482
240 HZ1 LYS 31 HZ1 LYS 31 1.989 -7.552 -5.936
241 HZ2 LYS 31 HZ2 LYS 31 2.915 -8.833 -6.527
242 HZ3 LYS 31 HZ3 LYS 31 3.675 -7.503 -5.826
243 H CYS 32 H CYS 32 3.048 -3.184 -3.282
244 HA CYS 32 HA CYS 32 3.237 -3.137 -0.351
245 HB2 CYS 32 HB2 CYS 32 2.217 -1.127 -2.345
246 HB3 CYS 32 HB3 CYS 32 1.530 -1.148 -0.720
247 H ASP 33 H ASP 33 2.126 -4.920 0.220
248 HA ASP 33 HA ASP 33 -0.308 -5.691 -1.055
249 HB2 ASP 33 HB2 ASP 33 0.945 -7.471 -0.193
250 HB3 ASP 33 HB3 ASP 33 1.208 -6.666 1.349
251 H CYS 34 H CYS 34 -2.194 -4.859 -0.726
252 HA CYS 34 HA CYS 34 -2.648 -3.218 1.660
253 HB2 CYS 34 HB2 CYS 34 -3.738 -3.119 -1.139
254 HB3 CYS 34 HB3 CYS 34 -4.549 -2.298 0.187
255 H THR 35 H THR 35 -4.769 -3.212 2.605
256 HA THR 35 HA THR 35 -6.355 -5.608 1.982
257 HB THR 35 HB THR 35 -6.415 -3.971 4.527
258 HG1 THR 35 HG1 THR 35 -4.568 -5.627 3.844
259 HG21 THR 35 HG21 THR 35 -8.525 -5.169 3.786
260 HG22 THR 35 HG22 THR 35 -7.904 -5.602 5.384
261 HG23 THR 35 HG23 THR 35 -7.630 -6.677 4.014
262 HA PRO 36 HA PRO 36 -9.053 -2.551 0.267
263 HB2 PRO 36 HB2 PRO 36 -10.904 -4.200 -0.720
264 HB3 PRO 36 HB3 PRO 36 -9.263 -4.182 -1.373
265 HG2 PRO 36 HG2 PRO 36 -10.502 -6.086 0.580
266 HG3 PRO 36 HG3 PRO 36 -9.492 -6.438 -0.833
267 HD2 PRO 36 HD2 PRO 36 -8.541 -6.327 1.736
268 HD3 PRO 36 HD3 PRO 36 -7.549 -6.008 0.302
269 H LYS 37 H LYS 37 -11.811 -2.873 0.167
270 HA LYS 37 HA LYS 37 -12.495 -2.328 2.945
271 HB2 LYS 37 HB2 LYS 37 -14.079 -1.988 0.402
272 HB3 LYS 37 HB3 LYS 37 -14.715 -1.637 1.999
273 HG2 LYS 37 HG2 LYS 37 -14.061 0.447 1.458
274 HG3 LYS 37 HG3 LYS 37 -12.514 -0.127 2.079
275 HD2 LYS 37 HD2 LYS 37 -11.762 -0.627 -0.170
276 HD3 LYS 37 HD3 LYS 37 -13.338 -0.173 -0.824
277 HE2 LYS 37 HE2 LYS 37 -12.975 2.109 0.152
278 HE3 LYS 37 HE3 LYS 37 -11.328 1.614 0.535
279 HZ1 LYS 37 HZ1 LYS 37 -11.388 2.816 -1.535
280 HZ2 LYS 37 HZ2 LYS 37 -12.534 1.752 -2.177
281 HZ3 LYS 37 HZ3 LYS 37 -10.967 1.207 -1.844
Start of MODEL 5
1 H1 VAL 1 H1 VAL 1 -7.070 -8.217 -3.560
2 H2 VAL 1 H2 VAL 1 -5.697 -8.847 -2.805
3 H3 VAL 1 H3 VAL 1 -5.765 -8.751 -4.489
4 HA VAL 1 HA VAL 1 -5.760 -6.381 -4.430
5 HB VAL 1 HB VAL 1 -5.342 -5.214 -2.265
6 HG11 VAL 1 HG11 VAL 1 -7.639 -5.142 -1.588
7 HG12 VAL 1 HG12 VAL 1 -7.957 -6.708 -2.334
8 HG13 VAL 1 HG13 VAL 1 -7.574 -5.312 -3.342
9 HG21 VAL 1 HG21 VAL 1 -4.544 -7.118 -0.973
10 HG22 VAL 1 HG22 VAL 1 -6.135 -7.870 -1.075
11 HG23 VAL 1 HG23 VAL 1 -5.928 -6.364 -0.182
12 H GLY 2 H GLY 2 -3.820 -4.994 -3.482
13 HA2 GLY 2 HA2 GLY 2 -1.521 -5.083 -2.706
14 HA3 GLY 2 HA3 GLY 2 -1.439 -6.728 -3.319
15 H ILE 3 H ILE 3 -0.490 -3.620 -3.924
16 HA ILE 3 HA ILE 3 -0.815 -3.812 -6.840
17 HB ILE 3 HB ILE 3 -0.467 -1.478 -6.940
18 HG12 ILE 3 HG12 ILE 3 0.456 -1.618 -4.063
19 HG13 ILE 3 HG13 ILE 3 1.513 -1.435 -5.458
20 HG21 ILE 3 HG21 ILE 3 -2.087 -0.574 -5.301
21 HG22 ILE 3 HG22 ILE 3 -2.020 -2.106 -4.428
22 HG23 ILE 3 HG23 ILE 3 -2.652 -2.054 -6.075
23 HD11 ILE 3 HD11 ILE 3 -0.373 0.513 -4.251
24 HD12 ILE 3 HD12 ILE 3 0.134 0.688 -5.926
25 HD13 ILE 3 HD13 ILE 3 1.332 0.708 -4.630
26 H ASN 4 H ASN 4 1.099 -2.566 -7.951
27 HA ASN 4 HA ASN 4 3.616 -3.770 -7.016
28 HB2 ASN 4 HB2 ASN 4 2.948 -4.538 -9.249
29 HB3 ASN 4 HB3 ASN 4 2.825 -2.869 -9.800
30 HD21 ASN 4 HD21 ASN 4 4.357 -3.149 -11.398
31 HD22 ASN 4 HD22 ASN 4 6.040 -3.323 -11.046
32 H VAL 5 H VAL 5 5.045 -2.400 -6.184
33 HA VAL 5 HA VAL 5 5.430 0.274 -7.092
34 HB VAL 5 HB VAL 5 3.178 0.230 -5.744
35 HG11 VAL 5 HG11 VAL 5 3.403 0.507 -3.369
36 HG12 VAL 5 HG12 VAL 5 5.145 0.284 -3.474
37 HG13 VAL 5 HG13 VAL 5 4.058 -1.049 -3.867
38 HG21 VAL 5 HG21 VAL 5 3.551 2.478 -4.904
39 HG22 VAL 5 HG22 VAL 5 4.281 2.284 -6.499
40 HG23 VAL 5 HG23 VAL 5 5.293 2.269 -5.057
41 H ASP 6 H ASP 6 6.647 1.433 -5.016
42 HA ASP 6 HA ASP 6 8.433 -0.594 -3.886
43 HB2 ASP 6 HB2 ASP 6 10.346 0.921 -4.168
44 HB3 ASP 6 HB3 ASP 6 9.631 0.463 -5.704
45 H CYS 7 H CYS 7 8.102 -0.619 -1.836
46 HA CYS 7 HA CYS 7 7.346 1.813 -0.427
47 HB2 CYS 7 HB2 CYS 7 7.127 0.195 1.536
48 HB3 CYS 7 HB3 CYS 7 5.975 0.033 0.229
49 H LYS 8 H LYS 8 8.798 3.014 0.551
50 HA LYS 8 HA LYS 8 11.355 2.054 1.387
51 HB2 LYS 8 HB2 LYS 8 10.827 4.471 0.944
52 HB3 LYS 8 HB3 LYS 8 9.811 4.470 2.374
53 HG2 LYS 8 HG2 LYS 8 11.722 3.980 3.765
54 HG3 LYS 8 HG3 LYS 8 12.767 3.919 2.345
55 HD2 LYS 8 HD2 LYS 8 11.211 6.334 3.273
56 HD3 LYS 8 HD3 LYS 8 12.938 6.073 3.525
57 HE2 LYS 8 HE2 LYS 8 13.254 6.002 1.081
58 HE3 LYS 8 HE3 LYS 8 11.536 6.329 0.864
59 HZ1 LYS 8 HZ1 LYS 8 12.908 8.322 0.657
60 HZ2 LYS 8 HZ2 LYS 8 13.445 8.130 2.246
61 HZ3 LYS 8 HZ3 LYS 8 11.814 8.452 1.940
62 H HIS 9 H HIS 9 8.151 2.076 2.576
63 HA HIS 9 HA HIS 9 8.576 0.248 4.655
64 HB2 HIS 9 HB2 HIS 9 7.854 1.829 6.561
65 HB3 HIS 9 HB3 HIS 9 9.537 1.887 6.052
66 HD1 HIS 9 HD1 HIS 9 10.371 4.030 4.961
67 HD2 HIS 9 HD2 HIS 9 6.342 4.145 5.965
68 HE1 HIS 9 HE1 HIS 9 9.641 6.391 4.541
69 HE2 HIS 9 HE2 HIS 9 7.273 6.497 5.404
70 H SER 10 H SER 10 6.499 -0.067 5.943
71 HA SER 10 HA SER 10 4.369 -0.286 4.137
72 HB2 SER 10 HB2 SER 10 3.035 -0.823 6.228
73 HB3 SER 10 HB3 SER 10 4.488 -1.785 5.975
74 HG SER 10 HG SER 10 4.708 -1.167 8.025
75 H GLY 11 H GLY 11 5.086 2.192 6.539
76 HA2 GLY 11 HA2 GLY 11 2.617 3.453 6.696
77 HA3 GLY 11 HA3 GLY 11 4.160 4.238 6.970
78 H GLN 12 H GLN 12 5.075 3.807 4.183
79 HA GLN 12 HA GLN 12 3.626 6.088 3.090
80 HB2 GLN 12 HB2 GLN 12 5.480 6.207 1.427
81 HB3 GLN 12 HB3 GLN 12 5.989 6.395 3.095
82 HG2 GLN 12 HG2 GLN 12 7.620 5.038 2.200
83 HG3 GLN 12 HG3 GLN 12 6.544 3.890 2.988
84 HE21 GLN 12 HE21 GLN 12 7.695 5.126 -0.053
85 HE22 GLN 12 HE22 GLN 12 7.065 3.846 -1.034
86 H CYS 13 H CYS 13 3.059 2.975 3.023
87 HA CYS 13 HA CYS 13 2.688 2.584 0.174
88 HB2 CYS 13 HB2 CYS 13 3.334 0.675 1.566
89 HB3 CYS 13 HB3 CYS 13 1.892 0.880 2.552
90 H LEU 14 H LEU 14 1.057 4.003 2.721
91 HA LEU 14 HA LEU 14 -1.611 3.310 2.348
92 HB2 LEU 14 HB2 LEU 14 -0.403 5.900 3.295
93 HB3 LEU 14 HB3 LEU 14 -2.083 5.461 3.478
94 HG LEU 14 HG LEU 14 0.304 4.170 4.791
95 HD11 LEU 14 HD11 LEU 14 -0.421 6.212 5.847
96 HD12 LEU 14 HD12 LEU 14 -0.840 4.832 6.860
97 HD13 LEU 14 HD13 LEU 14 -2.084 5.631 5.899
98 HD21 LEU 14 HD21 LEU 14 -1.156 2.380 4.192
99 HD22 LEU 14 HD22 LEU 14 -2.570 3.269 4.762
100 HD23 LEU 14 HD23 LEU 14 -1.363 2.698 5.915
101 H LYS 15 H LYS 15 0.200 6.039 1.028
102 HA LYS 15 HA LYS 15 -1.908 7.282 -0.255
103 HB2 LYS 15 HB2 LYS 15 0.049 8.502 0.221
104 HB3 LYS 15 HB3 LYS 15 1.065 7.372 -0.658
105 HG2 LYS 15 HG2 LYS 15 0.118 8.060 -2.724
106 HG3 LYS 15 HG3 LYS 15 -1.017 9.132 -1.910
107 HD2 LYS 15 HD2 LYS 15 1.964 9.423 -1.629
108 HD3 LYS 15 HD3 LYS 15 1.066 10.197 -2.932
109 HE2 LYS 15 HE2 LYS 15 1.314 11.807 -1.204
110 HE3 LYS 15 HE3 LYS 15 -0.364 11.280 -1.180
111 HZ1 LYS 15 HZ1 LYS 15 0.761 11.493 1.036
112 HZ2 LYS 15 HZ2 LYS 15 1.691 10.142 0.628
113 HZ3 LYS 15 HZ3 LYS 15 0.010 10.010 0.749
114 HA PRO 16 HA PRO 16 -0.718 5.236 -4.418
115 HB2 PRO 16 HB2 PRO 16 0.829 3.002 -4.428
116 HB3 PRO 16 HB3 PRO 16 1.494 4.632 -4.587
117 HG2 PRO 16 HG2 PRO 16 1.344 2.864 -2.185
118 HG3 PRO 16 HG3 PRO 16 2.677 3.901 -2.732
119 HD2 PRO 16 HD2 PRO 16 0.981 4.638 -0.741
120 HD3 PRO 16 HD3 PRO 16 1.735 5.808 -1.840
121 H CYS 17 H CYS 17 -1.057 3.235 -1.584
122 HA CYS 17 HA CYS 17 -2.612 1.174 -2.753
123 HB2 CYS 17 HB2 CYS 17 -1.492 0.976 -0.553
124 HB3 CYS 17 HB3 CYS 17 -2.597 2.180 0.103
125 H LYS 18 H LYS 18 -3.332 4.282 -1.298
126 HA LYS 18 HA LYS 18 -6.159 4.084 -1.408
127 HB2 LYS 18 HB2 LYS 18 -5.145 5.696 0.043
128 HB3 LYS 18 HB3 LYS 18 -4.248 6.415 -1.283
129 HG2 LYS 18 HG2 LYS 18 -6.294 7.267 -2.249
130 HG3 LYS 18 HG3 LYS 18 -7.240 6.478 -0.985
131 HD2 LYS 18 HD2 LYS 18 -5.062 8.365 -0.219
132 HD3 LYS 18 HD3 LYS 18 -6.595 9.017 -0.797
133 HE2 LYS 18 HE2 LYS 18 -6.563 8.869 1.638
134 HE3 LYS 18 HE3 LYS 18 -7.782 7.800 0.952
135 HZ1 LYS 18 HZ1 LYS 18 -6.347 5.933 1.308
136 HZ2 LYS 18 HZ2 LYS 18 -6.490 6.780 2.762
137 HZ3 LYS 18 HZ3 LYS 18 -5.085 6.927 1.834
138 H LYS 19 H LYS 19 -3.685 5.360 -3.566
139 HA LYS 19 HA LYS 19 -5.320 6.327 -5.611
140 HB2 LYS 19 HB2 LYS 19 -2.876 6.692 -5.465
141 HB3 LYS 19 HB3 LYS 19 -2.611 5.001 -5.852
142 HG2 LYS 19 HG2 LYS 19 -2.250 6.386 -7.799
143 HG3 LYS 19 HG3 LYS 19 -3.650 5.342 -8.041
144 HD2 LYS 19 HD2 LYS 19 -4.145 7.559 -8.857
145 HD3 LYS 19 HD3 LYS 19 -5.122 7.231 -7.428
146 HE2 LYS 19 HE2 LYS 19 -3.493 8.490 -6.067
147 HE3 LYS 19 HE3 LYS 19 -2.586 8.862 -7.531
148 HZ1 LYS 19 HZ1 LYS 19 -4.550 10.001 -8.388
149 HZ2 LYS 19 HZ2 LYS 19 -4.022 10.684 -6.935
150 HZ3 LYS 19 HZ3 LYS 19 -5.378 9.678 -6.950
151 H ALA 20 H ALA 20 -4.286 3.086 -4.814
152 HA ALA 20 HA ALA 20 -5.326 1.873 -7.191
153 HB1 ALA 20 HB1 ALA 20 -3.464 0.940 -5.807
154 HB2 ALA 20 HB2 ALA 20 -4.748 -0.205 -6.189
155 HB3 ALA 20 HB3 ALA 20 -4.664 0.526 -4.587
156 H GLY 21 H GLY 21 -6.452 2.334 -3.866
157 HA2 GLY 21 HA2 GLY 21 -8.898 3.003 -3.986
158 HA3 GLY 21 HA3 GLY 21 -9.118 1.462 -4.787
159 H MET 22 H MET 22 -6.798 1.054 -2.405
160 HA MET 22 HA MET 22 -8.847 -0.214 -0.739
161 HB2 MET 22 HB2 MET 22 -5.869 -0.638 -0.893
162 HB3 MET 22 HB3 MET 22 -6.863 -1.341 0.371
163 HG2 MET 22 HG2 MET 22 -6.610 -3.025 -1.222
164 HG3 MET 22 HG3 MET 22 -8.235 -2.391 -1.473
165 HE1 MET 22 HE1 MET 22 -4.836 -0.678 -2.617
166 HE2 MET 22 HE2 MET 22 -4.613 -1.477 -4.174
167 HE3 MET 22 HE3 MET 22 -4.555 -2.417 -2.685
168 H ARG 23 H ARG 23 -7.503 -0.406 1.682
169 HA ARG 23 HA ARG 23 -7.854 2.368 2.559
170 HB2 ARG 23 HB2 ARG 23 -8.040 -0.243 4.065
171 HB3 ARG 23 HB3 ARG 23 -8.190 1.334 4.824
172 HG2 ARG 23 HG2 ARG 23 -10.083 1.754 3.163
173 HG3 ARG 23 HG3 ARG 23 -10.027 0.017 2.859
174 HD2 ARG 23 HD2 ARG 23 -10.308 1.165 5.617
175 HD3 ARG 23 HD3 ARG 23 -11.694 0.820 4.590
176 HE ARG 23 HE ARG 23 -10.240 -1.502 4.619
177 HH11 ARG 23 HH11 ARG 23 -11.743 0.543 7.029
178 HH12 ARG 23 HH12 ARG 23 -12.033 -0.763 8.135
179 HH21 ARG 23 HH21 ARG 23 -10.622 -3.209 6.062
180 HH22 ARG 23 HH22 ARG 23 -11.398 -2.900 7.582
181 H PHE 24 H PHE 24 -5.849 -0.439 3.423
182 HA PHE 24 HA PHE 24 -3.663 1.422 4.070
183 HB2 PHE 24 HB2 PHE 24 -3.463 -0.927 5.689
184 HB3 PHE 24 HB3 PHE 24 -3.609 0.750 6.205
185 HD1 PHE 24 HD1 PHE 24 -5.616 -2.098 4.995
186 HD2 PHE 24 HD2 PHE 24 -5.503 1.379 7.417
187 HE1 PHE 24 HE1 PHE 24 -7.846 -2.644 5.849
188 HE2 PHE 24 HE2 PHE 24 -7.742 0.849 8.291
189 HZ PHE 24 HZ PHE 24 -8.918 -1.169 7.512
190 H GLY 25 H GLY 25 -1.533 0.401 4.056
191 HA2 GLY 25 HA2 GLY 25 -1.409 -1.948 2.297
192 HA3 GLY 25 HA3 GLY 25 -0.544 -0.485 1.862
193 H LYS 26 H LYS 26 0.548 -3.086 2.300
194 HA LYS 26 HA LYS 26 2.304 -2.540 4.598
195 HB2 LYS 26 HB2 LYS 26 1.450 -5.175 3.395
196 HB3 LYS 26 HB3 LYS 26 2.789 -5.022 4.518
197 HG2 LYS 26 HG2 LYS 26 1.267 -4.163 6.220
198 HG3 LYS 26 HG3 LYS 26 -0.083 -4.335 5.092
199 HD2 LYS 26 HD2 LYS 26 0.311 -6.740 4.968
200 HD3 LYS 26 HD3 LYS 26 1.691 -6.579 6.055
201 HE2 LYS 26 HE2 LYS 26 -0.265 -7.380 7.252
202 HE3 LYS 26 HE3 LYS 26 0.206 -5.783 7.822
203 HZ1 LYS 26 HZ1 LYS 26 -2.195 -6.003 7.525
204 HZ2 LYS 26 HZ2 LYS 26 -1.971 -6.320 5.882
205 HZ3 LYS 26 HZ3 LYS 26 -1.548 -4.812 6.516
206 H CYS 27 H CYS 27 4.501 -3.523 4.284
207 HA CYS 27 HA CYS 27 5.388 -2.868 1.560
208 HB2 CYS 27 HB2 CYS 27 6.330 -1.519 3.418
209 HB3 CYS 27 HB3 CYS 27 7.017 -2.988 4.106
210 H ILE 28 H ILE 28 5.509 -4.671 0.346
211 HA ILE 28 HA ILE 28 6.905 -6.987 1.509
212 HB ILE 28 HB ILE 28 4.708 -6.897 -0.590
213 HG12 ILE 28 HG12 ILE 28 4.863 -7.902 2.239
214 HG13 ILE 28 HG13 ILE 28 3.771 -6.699 1.567
215 HG21 ILE 28 HG21 ILE 28 4.826 -9.342 -0.647
216 HG22 ILE 28 HG22 ILE 28 6.251 -9.299 0.393
217 HG23 ILE 28 HG23 ILE 28 6.321 -8.609 -1.229
218 HD11 ILE 28 HD11 ILE 28 2.733 -8.503 0.212
219 HD12 ILE 28 HD12 ILE 28 2.543 -8.698 1.953
220 HD13 ILE 28 HD13 ILE 28 3.733 -9.665 1.082
221 H ASN 29 H ASN 29 7.940 -8.269 -0.468
222 HA ASN 29 HA ASN 29 10.086 -6.709 -1.320
223 HB2 ASN 29 HB2 ASN 29 10.628 -8.728 -2.761
224 HB3 ASN 29 HB3 ASN 29 10.436 -9.022 -1.039
225 HD21 ASN 29 HD21 ASN 29 7.739 -8.480 -3.197
226 HD22 ASN 29 HD22 ASN 29 7.123 -10.103 -3.152
227 H GLY 30 H GLY 30 8.618 -4.994 -2.302
228 HA2 GLY 30 HA2 GLY 30 8.623 -3.777 -4.332
229 HA3 GLY 30 HA3 GLY 30 8.697 -5.300 -5.211
230 H LYS 31 H LYS 31 6.482 -5.490 -2.672
231 HA LYS 31 HA LYS 31 4.284 -4.906 -4.524
232 HB2 LYS 31 HB2 LYS 31 4.401 -7.245 -4.509
233 HB3 LYS 31 HB3 LYS 31 4.817 -7.306 -2.803
234 HG2 LYS 31 HG2 LYS 31 2.520 -6.471 -2.311
235 HG3 LYS 31 HG3 LYS 31 2.140 -6.703 -4.022
236 HD2 LYS 31 HD2 LYS 31 3.246 -8.864 -2.255
237 HD3 LYS 31 HD3 LYS 31 1.514 -8.616 -2.502
238 HE2 LYS 31 HE2 LYS 31 1.833 -8.945 -4.920
239 HE3 LYS 31 HE3 LYS 31 3.551 -9.219 -4.645
240 HZ1 LYS 31 HZ1 LYS 31 1.325 -10.890 -3.618
241 HZ2 LYS 31 HZ2 LYS 31 2.959 -11.140 -3.270
242 HZ3 LYS 31 HZ3 LYS 31 2.399 -11.306 -4.855
243 H CYS 32 H CYS 32 2.726 -3.631 -3.685
244 HA CYS 32 HA CYS 32 2.803 -3.115 -0.805
245 HB2 CYS 32 HB2 CYS 32 2.078 -1.520 -3.110
246 HB3 CYS 32 HB3 CYS 32 0.764 -1.561 -1.938
247 H ASP 33 H ASP 33 1.941 -5.047 -0.099
248 HA ASP 33 HA ASP 33 -0.592 -5.977 -1.088
249 HB2 ASP 33 HB2 ASP 33 0.875 -7.677 -0.330
250 HB3 ASP 33 HB3 ASP 33 1.177 -6.852 1.196
251 H CYS 34 H CYS 34 -2.410 -5.078 -0.599
252 HA CYS 34 HA CYS 34 -2.558 -3.324 1.731
253 HB2 CYS 34 HB2 CYS 34 -4.132 -3.463 -0.830
254 HB3 CYS 34 HB3 CYS 34 -4.576 -2.418 0.513
255 H THR 35 H THR 35 -4.769 -3.071 2.679
256 HA THR 35 HA THR 35 -6.365 -5.528 2.493
257 HB THR 35 HB THR 35 -5.994 -3.812 4.963
258 HG1 THR 35 HG1 THR 35 -4.430 -5.658 4.083
259 HG21 THR 35 HG21 THR 35 -8.290 -4.848 4.542
260 HG22 THR 35 HG22 THR 35 -7.507 -5.247 6.076
261 HG23 THR 35 HG23 THR 35 -7.496 -6.411 4.751
262 HA PRO 36 HA PRO 36 -9.205 -2.436 1.079
263 HB2 PRO 36 HB2 PRO 36 -11.098 -4.088 0.180
264 HB3 PRO 36 HB3 PRO 36 -9.517 -4.015 -0.596
265 HG2 PRO 36 HG2 PRO 36 -10.600 -6.038 1.311
266 HG3 PRO 36 HG3 PRO 36 -9.599 -6.278 -0.130
267 HD2 PRO 36 HD2 PRO 36 -8.659 -6.202 2.484
268 HD3 PRO 36 HD3 PRO 36 -7.671 -5.956 1.035
269 H LYS 37 H LYS 37 -11.962 -2.875 1.175
270 HA LYS 37 HA LYS 37 -12.617 -2.007 3.775
271 HB2 LYS 37 HB2 LYS 37 -14.096 -2.661 1.304
272 HB3 LYS 37 HB3 LYS 37 -15.017 -2.814 2.791
273 HG2 LYS 37 HG2 LYS 37 -15.261 -0.612 1.720
274 HG3 LYS 37 HG3 LYS 37 -14.601 -0.515 3.350
275 HD2 LYS 37 HD2 LYS 37 -12.375 -0.196 2.473
276 HD3 LYS 37 HD3 LYS 37 -12.956 -0.442 0.826
277 HE2 LYS 37 HE2 LYS 37 -12.611 1.937 1.375
278 HE3 LYS 37 HE3 LYS 37 -14.278 1.567 0.943
279 HZ1 LYS 37 HZ1 LYS 37 -14.185 3.022 2.852
280 HZ2 LYS 37 HZ2 LYS 37 -13.236 1.914 3.703
281 HZ3 LYS 37 HZ3 LYS 37 -14.830 1.527 3.304
Start of MODEL 6
1 H1 VAL 1 H1 VAL 1 -5.409 -7.057 -5.294
2 H2 VAL 1 H2 VAL 1 -6.566 -7.432 -4.122
3 H3 VAL 1 H3 VAL 1 -5.332 -8.530 -4.474
4 HA VAL 1 HA VAL 1 -4.956 -5.850 -3.282
5 HB VAL 1 HB VAL 1 -4.820 -8.603 -2.044
6 HG11 VAL 1 HG11 VAL 1 -4.037 -5.966 -0.825
7 HG12 VAL 1 HG12 VAL 1 -2.935 -7.266 -1.277
8 HG13 VAL 1 HG13 VAL 1 -4.110 -7.515 0.014
9 HG21 VAL 1 HG21 VAL 1 -6.525 -6.192 -1.450
10 HG22 VAL 1 HG22 VAL 1 -6.501 -7.676 -0.495
11 HG23 VAL 1 HG23 VAL 1 -7.066 -7.712 -2.165
12 H GLY 2 H GLY 2 -2.918 -5.119 -3.262
13 HA2 GLY 2 HA2 GLY 2 -0.556 -5.441 -3.102
14 HA3 GLY 2 HA3 GLY 2 -0.752 -6.994 -3.892
15 H ILE 3 H ILE 3 -0.292 -3.637 -4.298
16 HA ILE 3 HA ILE 3 -0.577 -3.813 -7.203
17 HB ILE 3 HB ILE 3 -0.613 -1.494 -7.273
18 HG12 ILE 3 HG12 ILE 3 0.842 -1.502 -4.625
19 HG13 ILE 3 HG13 ILE 3 1.520 -1.084 -6.189
20 HG21 ILE 3 HG21 ILE 3 -2.060 -0.715 -5.436
21 HG22 ILE 3 HG22 ILE 3 -1.683 -2.185 -4.533
22 HG23 ILE 3 HG23 ILE 3 -2.558 -2.286 -6.062
23 HD11 ILE 3 HD11 ILE 3 -0.451 0.450 -4.547
24 HD12 ILE 3 HD12 ILE 3 -0.159 0.802 -6.250
25 HD13 ILE 3 HD13 ILE 3 1.157 0.937 -5.083
26 H ASN 4 H ASN 4 1.299 -2.313 -8.268
27 HA ASN 4 HA ASN 4 3.809 -3.598 -7.429
28 HB2 ASN 4 HB2 ASN 4 2.973 -4.125 -9.738
29 HB3 ASN 4 HB3 ASN 4 3.161 -2.421 -10.141
30 HD21 ASN 4 HD21 ASN 4 4.805 -5.382 -9.365
31 HD22 ASN 4 HD22 ASN 4 6.372 -4.887 -9.906
32 H VAL 5 H VAL 5 4.978 -2.276 -6.226
33 HA VAL 5 HA VAL 5 5.446 0.469 -7.021
34 HB VAL 5 HB VAL 5 3.224 0.297 -5.693
35 HG11 VAL 5 HG11 VAL 5 3.496 0.371 -3.261
36 HG12 VAL 5 HG12 VAL 5 5.193 -0.053 -3.450
37 HG13 VAL 5 HG13 VAL 5 3.936 -1.184 -3.956
38 HG21 VAL 5 HG21 VAL 5 3.556 2.427 -4.630
39 HG22 VAL 5 HG22 VAL 5 4.409 2.413 -6.175
40 HG23 VAL 5 HG23 VAL 5 5.304 2.222 -4.670
41 H ASP 6 H ASP 6 6.687 1.476 -4.888
42 HA ASP 6 HA ASP 6 8.630 -0.570 -4.042
43 HB2 ASP 6 HB2 ASP 6 9.353 2.223 -4.916
44 HB3 ASP 6 HB3 ASP 6 10.457 1.006 -4.300
45 H CYS 7 H CYS 7 8.161 -0.709 -1.970
46 HA CYS 7 HA CYS 7 7.810 1.723 -0.395
47 HB2 CYS 7 HB2 CYS 7 7.342 0.084 1.483
48 HB3 CYS 7 HB3 CYS 7 6.173 0.128 0.180
49 H LYS 8 H LYS 8 9.418 2.579 0.741
50 HA LYS 8 HA LYS 8 11.772 1.024 1.413
51 HB2 LYS 8 HB2 LYS 8 11.942 3.462 0.925
52 HB3 LYS 8 HB3 LYS 8 10.912 3.791 2.306
53 HG2 LYS 8 HG2 LYS 8 12.567 2.850 3.795
54 HG3 LYS 8 HG3 LYS 8 13.617 2.481 2.426
55 HD2 LYS 8 HD2 LYS 8 12.708 5.249 3.224
56 HD3 LYS 8 HD3 LYS 8 14.280 4.549 3.608
57 HE2 LYS 8 HE2 LYS 8 13.193 5.051 0.836
58 HE3 LYS 8 HE3 LYS 8 14.403 6.030 1.663
59 HZ1 LYS 8 HZ1 LYS 8 15.438 4.507 0.119
60 HZ2 LYS 8 HZ2 LYS 8 14.712 3.183 0.873
61 HZ3 LYS 8 HZ3 LYS 8 15.871 4.095 1.700
62 H HIS 9 H HIS 9 8.679 1.633 2.538
63 HA HIS 9 HA HIS 9 8.896 0.048 4.874
64 HB2 HIS 9 HB2 HIS 9 8.129 1.958 6.436
65 HB3 HIS 9 HB3 HIS 9 9.840 1.856 6.042
66 HD1 HIS 9 HD1 HIS 9 10.865 3.770 4.733
67 HD2 HIS 9 HD2 HIS 9 6.768 4.172 5.272
68 HE1 HIS 9 HE1 HIS 9 10.299 6.055 3.873
69 HE2 HIS 9 HE2 HIS 9 7.869 6.374 4.479
70 H SER 10 H SER 10 6.754 -0.009 6.054
71 HA SER 10 HA SER 10 4.741 -0.430 4.108
72 HB2 SER 10 HB2 SER 10 3.317 -0.867 6.196
73 HB3 SER 10 HB3 SER 10 4.747 -1.876 5.969
74 HG SER 10 HG SER 10 4.163 -0.105 7.957
75 H GLY 11 H GLY 11 5.291 2.146 6.440
76 HA2 GLY 11 HA2 GLY 11 2.743 3.275 6.488
77 HA3 GLY 11 HA3 GLY 11 4.233 4.134 6.830
78 H GLN 12 H GLN 12 5.180 3.542 4.005
79 HA GLN 12 HA GLN 12 3.920 5.917 2.893
80 HB2 GLN 12 HB2 GLN 12 5.717 6.021 1.361
81 HB3 GLN 12 HB3 GLN 12 6.426 5.537 2.894
82 HG2 GLN 12 HG2 GLN 12 6.534 3.239 2.156
83 HG3 GLN 12 HG3 GLN 12 5.731 3.664 0.645
84 HE21 GLN 12 HE21 GLN 12 6.853 4.875 -0.895
85 HE22 GLN 12 HE22 GLN 12 8.579 5.005 -0.868
86 H CYS 13 H CYS 13 3.249 2.701 2.826
87 HA CYS 13 HA CYS 13 2.688 2.502 -0.025
88 HB2 CYS 13 HB2 CYS 13 3.471 0.646 1.847
89 HB3 CYS 13 HB3 CYS 13 1.745 0.326 1.707
90 H LEU 14 H LEU 14 1.233 3.779 2.600
91 HA LEU 14 HA LEU 14 -1.461 3.026 2.370
92 HB2 LEU 14 HB2 LEU 14 -0.318 5.703 3.166
93 HB3 LEU 14 HB3 LEU 14 -1.932 5.135 3.516
94 HG LEU 14 HG LEU 14 0.646 4.044 4.634
95 HD11 LEU 14 HD11 LEU 14 -0.044 6.148 5.618
96 HD12 LEU 14 HD12 LEU 14 -0.252 4.827 6.768
97 HD13 LEU 14 HD13 LEU 14 -1.652 5.496 5.930
98 HD21 LEU 14 HD21 LEU 14 -0.857 2.199 4.299
99 HD22 LEU 14 HD22 LEU 14 -2.187 3.098 5.032
100 HD23 LEU 14 HD23 LEU 14 -0.814 2.598 6.017
101 H LYS 15 H LYS 15 0.232 5.847 1.112
102 HA LYS 15 HA LYS 15 -1.769 7.082 -0.259
103 HB2 LYS 15 HB2 LYS 15 0.693 7.752 0.239
104 HB3 LYS 15 HB3 LYS 15 1.028 7.045 -1.332
105 HG2 LYS 15 HG2 LYS 15 -1.040 9.169 -0.928
106 HG3 LYS 15 HG3 LYS 15 0.650 9.548 -1.241
107 HD2 LYS 15 HD2 LYS 15 -1.033 7.822 -3.050
108 HD3 LYS 15 HD3 LYS 15 -0.852 9.564 -3.261
109 HE2 LYS 15 HE2 LYS 15 1.401 7.558 -3.263
110 HE3 LYS 15 HE3 LYS 15 0.677 8.278 -4.698
111 HZ1 LYS 15 HZ1 LYS 15 2.119 9.741 -2.555
112 HZ2 LYS 15 HZ2 LYS 15 1.389 10.458 -3.898
113 HZ3 LYS 15 HZ3 LYS 15 2.705 9.417 -4.106
114 HA PRO 16 HA PRO 16 -0.562 5.001 -4.413
115 HB2 PRO 16 HB2 PRO 16 0.729 2.601 -4.353
116 HB3 PRO 16 HB3 PRO 16 1.553 4.154 -4.493
117 HG2 PRO 16 HG2 PRO 16 1.130 2.440 -2.086
118 HG3 PRO 16 HG3 PRO 16 2.576 3.341 -2.579
119 HD2 PRO 16 HD2 PRO 16 0.896 4.266 -0.674
120 HD3 PRO 16 HD3 PRO 16 1.756 5.348 -1.779
121 H CYS 17 H CYS 17 -1.300 2.758 -1.752
122 HA CYS 17 HA CYS 17 -2.994 1.190 -3.469
123 HB2 CYS 17 HB2 CYS 17 -1.838 0.957 -0.813
124 HB3 CYS 17 HB3 CYS 17 -3.512 0.446 -0.865
125 H LYS 18 H LYS 18 -3.258 3.898 -1.366
126 HA LYS 18 HA LYS 18 -6.089 3.789 -1.012
127 HB2 LYS 18 HB2 LYS 18 -4.535 5.109 0.435
128 HB3 LYS 18 HB3 LYS 18 -4.247 6.190 -0.920
129 HG2 LYS 18 HG2 LYS 18 -5.851 7.148 0.622
130 HG3 LYS 18 HG3 LYS 18 -6.604 6.808 -0.939
131 HD2 LYS 18 HD2 LYS 18 -7.512 4.717 -0.019
132 HD3 LYS 18 HD3 LYS 18 -6.807 5.117 1.549
133 HE2 LYS 18 HE2 LYS 18 -8.198 7.045 1.760
134 HE3 LYS 18 HE3 LYS 18 -8.767 6.882 0.100
135 HZ1 LYS 18 HZ1 LYS 18 -10.390 6.084 1.718
136 HZ2 LYS 18 HZ2 LYS 18 -9.284 4.934 2.276
137 HZ3 LYS 18 HZ3 LYS 18 -9.872 4.843 0.691
138 H LYS 19 H LYS 19 -3.863 5.224 -3.298
139 HA LYS 19 HA LYS 19 -5.773 6.491 -4.959
140 HB2 LYS 19 HB2 LYS 19 -3.324 6.948 -4.997
141 HB3 LYS 19 HB3 LYS 19 -3.063 5.355 -5.691
142 HG2 LYS 19 HG2 LYS 19 -2.961 7.020 -7.419
143 HG3 LYS 19 HG3 LYS 19 -4.394 6.018 -7.654
144 HD2 LYS 19 HD2 LYS 19 -5.823 7.717 -6.817
145 HD3 LYS 19 HD3 LYS 19 -4.460 8.662 -6.215
146 HE2 LYS 19 HE2 LYS 19 -5.098 8.101 -9.108
147 HE3 LYS 19 HE3 LYS 19 -5.364 9.626 -8.265
148 HZ1 LYS 19 HZ1 LYS 19 -2.758 8.346 -8.874
149 HZ2 LYS 19 HZ2 LYS 19 -2.923 9.684 -7.855
150 HZ3 LYS 19 HZ3 LYS 19 -3.351 9.808 -9.484
151 H ALA 20 H ALA 20 -4.423 3.255 -4.796
152 HA ALA 20 HA ALA 20 -5.486 2.253 -7.208
153 HB1 ALA 20 HB1 ALA 20 -3.669 1.170 -5.869
154 HB2 ALA 20 HB2 ALA 20 -4.962 0.071 -6.356
155 HB3 ALA 20 HB3 ALA 20 -4.900 0.677 -4.702
156 H GLY 21 H GLY 21 -6.691 2.161 -3.867
157 HA2 GLY 21 HA2 GLY 21 -9.194 2.779 -3.940
158 HA3 GLY 21 HA3 GLY 21 -9.312 1.317 -4.901
159 H MET 22 H MET 22 -7.008 1.372 -2.342
160 HA MET 22 HA MET 22 -8.776 -0.407 -0.808
161 HB2 MET 22 HB2 MET 22 -5.761 -0.339 -0.951
162 HB3 MET 22 HB3 MET 22 -6.666 -1.325 0.188
163 HG2 MET 22 HG2 MET 22 -6.109 -2.765 -1.562
164 HG3 MET 22 HG3 MET 22 -7.803 -2.353 -1.821
165 HE1 MET 22 HE1 MET 22 -5.999 -3.682 -4.074
166 HE2 MET 22 HE2 MET 22 -6.486 -2.725 -5.474
167 HE3 MET 22 HE3 MET 22 -7.692 -3.239 -4.293
168 H ARG 23 H ARG 23 -7.622 -0.483 1.636
169 HA ARG 23 HA ARG 23 -8.169 2.271 2.487
170 HB2 ARG 23 HB2 ARG 23 -8.246 -0.353 3.956
171 HB3 ARG 23 HB3 ARG 23 -8.359 1.189 4.791
172 HG2 ARG 23 HG2 ARG 23 -10.282 1.687 3.165
173 HG3 ARG 23 HG3 ARG 23 -10.267 -0.051 2.866
174 HD2 ARG 23 HD2 ARG 23 -10.404 1.063 5.642
175 HD3 ARG 23 HD3 ARG 23 -11.853 0.836 4.670
176 HE ARG 23 HE ARG 23 -10.623 -1.575 4.537
177 HH11 ARG 23 HH11 ARG 23 -11.581 0.513 7.174
178 HH12 ARG 23 HH12 ARG 23 -11.875 -0.795 8.274
179 HH21 ARG 23 HH21 ARG 23 -10.990 -3.292 5.975
180 HH22 ARG 23 HH22 ARG 23 -11.533 -2.968 7.590
181 H PHE 24 H PHE 24 -5.933 -0.319 3.442
182 HA PHE 24 HA PHE 24 -4.133 1.752 4.519
183 HB2 PHE 24 HB2 PHE 24 -3.821 -1.137 5.216
184 HB3 PHE 24 HB3 PHE 24 -3.558 0.292 6.217
185 HD1 PHE 24 HD2 PHE 24 -5.511 1.420 7.285
186 HD2 PHE 24 HD1 PHE 24 -5.881 -2.186 5.088
187 HE1 PHE 24 HE2 PHE 24 -7.745 1.056 8.262
188 HE2 PHE 24 HE1 PHE 24 -8.109 -2.563 6.043
189 HZ PHE 24 HZ PHE 24 -9.042 -0.942 7.649
190 H GLY 25 H GLY 25 -1.885 -0.015 4.752
191 HA2 GLY 25 HA2 GLY 25 -1.279 -1.176 2.216
192 HA3 GLY 25 HA3 GLY 25 -0.528 0.403 2.400
193 H LYS 26 H LYS 26 0.492 -2.448 2.292
194 HA LYS 26 HA LYS 26 2.291 -2.190 4.597
195 HB2 LYS 26 HB2 LYS 26 1.030 -4.710 3.515
196 HB3 LYS 26 HB3 LYS 26 2.431 -4.718 4.575
197 HG2 LYS 26 HG2 LYS 26 1.144 -3.628 6.319
198 HG3 LYS 26 HG3 LYS 26 -0.264 -3.561 5.257
199 HD2 LYS 26 HD2 LYS 26 -0.419 -5.427 6.836
200 HD3 LYS 26 HD3 LYS 26 -0.325 -5.998 5.170
201 HE2 LYS 26 HE2 LYS 26 2.038 -6.484 5.448
202 HE3 LYS 26 HE3 LYS 26 1.994 -5.847 7.090
203 HZ1 LYS 26 HZ1 LYS 26 0.441 -7.608 7.678
204 HZ2 LYS 26 HZ2 LYS 26 1.888 -8.247 7.084
205 HZ3 LYS 26 HZ3 LYS 26 0.511 -8.220 6.103
206 H CYS 27 H CYS 27 4.314 -3.530 4.215
207 HA CYS 27 HA CYS 27 5.190 -2.925 1.475
208 HB2 CYS 27 HB2 CYS 27 6.281 -1.627 3.287
209 HB3 CYS 27 HB3 CYS 27 6.857 -3.134 3.990
210 H ILE 28 H ILE 28 5.214 -4.717 0.268
211 HA ILE 28 HA ILE 28 6.459 -7.108 1.425
212 HB ILE 28 HB ILE 28 4.342 -6.788 -0.716
213 HG12 ILE 28 HG12 ILE 28 4.468 -8.046 2.003
214 HG13 ILE 28 HG13 ILE 28 3.379 -6.798 1.417
215 HG21 ILE 28 HG21 ILE 28 4.385 -9.155 -1.131
216 HG22 ILE 28 HG22 ILE 28 5.710 -9.375 0.013
217 HG23 ILE 28 HG23 ILE 28 5.976 -8.479 -1.483
218 HD11 ILE 28 HD11 ILE 28 2.343 -8.480 -0.071
219 HD12 ILE 28 HD12 ILE 28 2.159 -8.832 1.646
220 HD13 ILE 28 HD13 ILE 28 3.351 -9.712 0.687
221 H ASN 29 H ASN 29 7.573 -8.390 -0.550
222 HA ASN 29 HA ASN 29 9.935 -7.194 -1.027
223 HB2 ASN 29 HB2 ASN 29 8.679 -8.946 -3.140
224 HB3 ASN 29 HB3 ASN 29 10.388 -8.778 -2.757
225 HD21 ASN 29 HD21 ASN 29 7.423 -10.301 -1.970
226 HD22 ASN 29 HD22 ASN 29 8.030 -11.352 -0.735
227 H GLY 30 H GLY 30 7.341 -7.196 -3.477
228 HA2 GLY 30 HA2 GLY 30 8.150 -4.464 -4.179
229 HA3 GLY 30 HA3 GLY 30 8.059 -5.664 -5.464
230 H LYS 31 H LYS 31 5.879 -5.800 -2.748
231 HA LYS 31 HA LYS 31 3.707 -5.124 -4.600
232 HB2 LYS 31 HB2 LYS 31 3.680 -7.462 -4.502
233 HB3 LYS 31 HB3 LYS 31 4.114 -7.489 -2.802
234 HG2 LYS 31 HG2 LYS 31 1.867 -6.492 -2.329
235 HG3 LYS 31 HG3 LYS 31 1.459 -6.816 -4.018
236 HD2 LYS 31 HD2 LYS 31 2.450 -8.892 -2.080
237 HD3 LYS 31 HD3 LYS 31 0.741 -8.607 -2.426
238 HE2 LYS 31 HE2 LYS 31 1.092 -9.192 -4.753
239 HE3 LYS 31 HE3 LYS 31 2.823 -9.374 -4.475
240 HZ1 LYS 31 HZ1 LYS 31 2.350 -11.203 -2.970
241 HZ2 LYS 31 HZ2 LYS 31 1.700 -11.510 -4.501
242 HZ3 LYS 31 HZ3 LYS 31 0.690 -11.024 -3.238
243 H CYS 32 H CYS 32 2.264 -3.701 -3.806
244 HA CYS 32 HA CYS 32 2.466 -2.923 -1.012
245 HB2 CYS 32 HB2 CYS 32 2.026 -1.333 -3.066
246 HB3 CYS 32 HB3 CYS 32 0.363 -1.874 -2.872
247 H ASP 33 H ASP 33 1.725 -4.768 0.033
248 HA ASP 33 HA ASP 33 -0.835 -5.895 -0.609
249 HB2 ASP 33 HB2 ASP 33 0.659 -7.432 0.329
250 HB3 ASP 33 HB3 ASP 33 1.165 -6.325 1.597
251 H CYS 34 H CYS 34 -2.571 -4.711 -0.316
252 HA CYS 34 HA CYS 34 -2.820 -3.180 2.186
253 HB2 CYS 34 HB2 CYS 34 -4.089 -1.494 0.741
254 HB3 CYS 34 HB3 CYS 34 -2.339 -1.540 0.576
255 H THR 35 H THR 35 -4.851 -3.099 3.110
256 HA THR 35 HA THR 35 -6.666 -5.155 2.121
257 HB THR 35 HB THR 35 -6.741 -3.665 4.753
258 HG1 THR 35 HG1 THR 35 -5.170 -5.712 3.888
259 HG21 THR 35 HG21 THR 35 -8.887 -4.680 3.916
260 HG22 THR 35 HG22 THR 35 -8.318 -5.306 5.468
261 HG23 THR 35 HG23 THR 35 -8.085 -6.252 3.999
262 HA PRO 36 HA PRO 36 -9.121 -1.825 0.584
263 HB2 PRO 36 HB2 PRO 36 -10.935 -3.257 -0.689
264 HB3 PRO 36 HB3 PRO 36 -9.257 -3.325 -1.202
265 HG2 PRO 36 HG2 PRO 36 -10.788 -5.268 0.487
266 HG3 PRO 36 HG3 PRO 36 -9.688 -5.590 -0.868
267 HD2 PRO 36 HD2 PRO 36 -8.959 -5.710 1.788
268 HD3 PRO 36 HD3 PRO 36 -7.829 -5.419 0.452
269 H LYS 37 H LYS 37 -11.931 -2.176 0.282
270 HA LYS 37 HA LYS 37 -12.769 -1.728 3.021
271 HB2 LYS 37 HB2 LYS 37 -14.325 -1.463 0.446
272 HB3 LYS 37 HB3 LYS 37 -14.895 -0.980 2.032
273 HG2 LYS 37 HG2 LYS 37 -14.222 1.014 1.053
274 HG3 LYS 37 HG3 LYS 37 -12.856 0.575 2.077
275 HD2 LYS 37 HD2 LYS 37 -11.664 -0.306 0.155
276 HD3 LYS 37 HD3 LYS 37 -13.048 0.025 -0.885
277 HE2 LYS 37 HE2 LYS 37 -11.397 2.073 0.592
278 HE3 LYS 37 HE3 LYS 37 -11.332 1.736 -1.138
279 HZ1 LYS 37 HZ1 LYS 37 -12.676 3.641 -0.821
280 HZ2 LYS 37 HZ2 LYS 37 -13.597 2.896 0.384
281 HZ3 LYS 37 HZ3 LYS 37 -13.723 2.374 -1.219
Start of MODEL 7
1 H1 VAL 1 H1 VAL 1 -6.654 -8.531 -3.762
2 H2 VAL 1 H2 VAL 1 -5.210 -9.228 -3.222
3 H3 VAL 1 H3 VAL 1 -5.432 -8.914 -4.868
4 HA VAL 1 HA VAL 1 -5.433 -6.567 -4.500
5 HB VAL 1 HB VAL 1 -4.981 -5.606 -2.315
6 HG11 VAL 1 HG11 VAL 1 -7.084 -6.001 -1.235
7 HG12 VAL 1 HG12 VAL 1 -7.304 -7.501 -2.134
8 HG13 VAL 1 HG13 VAL 1 -7.314 -5.954 -2.983
9 HG21 VAL 1 HG21 VAL 1 -4.907 -8.459 -1.429
10 HG22 VAL 1 HG22 VAL 1 -5.185 -7.142 -0.297
11 HG23 VAL 1 HG23 VAL 1 -3.680 -7.218 -1.214
12 H GLY 2 H GLY 2 -3.341 -5.456 -3.110
13 HA2 GLY 2 HA2 GLY 2 -0.985 -5.644 -2.811
14 HA3 GLY 2 HA3 GLY 2 -1.009 -7.091 -3.810
15 H ILE 3 H ILE 3 -0.052 -3.945 -3.782
16 HA ILE 3 HA ILE 3 -0.793 -3.492 -6.581
17 HB ILE 3 HB ILE 3 -0.430 -1.195 -6.242
18 HG12 ILE 3 HG12 ILE 3 0.916 -1.945 -3.641
19 HG13 ILE 3 HG13 ILE 3 1.719 -1.346 -5.084
20 HG21 ILE 3 HG21 ILE 3 -1.806 -0.688 -4.235
21 HG22 ILE 3 HG22 ILE 3 -1.646 -2.371 -3.742
22 HG23 ILE 3 HG23 ILE 3 -2.487 -1.966 -5.239
23 HD11 ILE 3 HD11 ILE 3 -0.261 0.164 -3.432
24 HD12 ILE 3 HD12 ILE 3 0.571 0.779 -4.853
25 HD13 ILE 3 HD13 ILE 3 1.481 0.385 -3.394
26 H ASN 4 H ASN 4 0.887 -2.200 -7.774
27 HA ASN 4 HA ASN 4 3.453 -3.621 -7.554
28 HB2 ASN 4 HB2 ASN 4 2.119 -3.922 -9.674
29 HB3 ASN 4 HB3 ASN 4 2.308 -2.200 -9.976
30 HD21 ASN 4 HD21 ASN 4 3.193 -4.545 -11.498
31 HD22 ASN 4 HD22 ASN 4 4.898 -4.350 -11.706
32 H VAL 5 H VAL 5 4.524 -2.303 -6.163
33 HA VAL 5 HA VAL 5 5.154 0.391 -7.055
34 HB VAL 5 HB VAL 5 3.028 0.226 -5.455
35 HG11 VAL 5 HG11 VAL 5 3.535 0.471 -3.145
36 HG12 VAL 5 HG12 VAL 5 5.263 0.334 -3.461
37 HG13 VAL 5 HG13 VAL 5 4.204 -1.049 -3.736
38 HG21 VAL 5 HG21 VAL 5 3.511 2.477 -4.637
39 HG22 VAL 5 HG22 VAL 5 3.948 2.301 -6.337
40 HG23 VAL 5 HG23 VAL 5 5.201 2.285 -5.098
41 H ASP 6 H ASP 6 6.621 1.343 -5.072
42 HA ASP 6 HA ASP 6 8.478 -0.805 -4.315
43 HB2 ASP 6 HB2 ASP 6 9.243 1.866 -5.470
44 HB3 ASP 6 HB3 ASP 6 10.369 0.741 -4.727
45 H CYS 7 H CYS 7 8.221 -0.869 -2.226
46 HA CYS 7 HA CYS 7 7.807 1.581 -0.709
47 HB2 CYS 7 HB2 CYS 7 7.485 -0.118 1.204
48 HB3 CYS 7 HB3 CYS 7 6.246 0.005 -0.031
49 H LYS 8 H LYS 8 9.335 2.533 0.450
50 HA LYS 8 HA LYS 8 11.760 1.139 1.193
51 HB2 LYS 8 HB2 LYS 8 11.721 3.608 0.730
52 HB3 LYS 8 HB3 LYS 8 10.711 3.814 2.150
53 HG2 LYS 8 HG2 LYS 8 12.482 2.892 3.542
54 HG3 LYS 8 HG3 LYS 8 13.516 2.736 2.121
55 HD2 LYS 8 HD2 LYS 8 13.305 5.192 1.777
56 HD3 LYS 8 HD3 LYS 8 12.419 5.288 3.299
57 HE2 LYS 8 HE2 LYS 8 15.249 4.303 2.948
58 HE3 LYS 8 HE3 LYS 8 14.771 5.868 3.601
59 HZ1 LYS 8 HZ1 LYS 8 13.652 4.699 5.418
60 HZ2 LYS 8 HZ2 LYS 8 15.306 4.348 5.371
61 HZ3 LYS 8 HZ3 LYS 8 14.189 3.218 4.802
62 H HIS 9 H HIS 9 8.611 1.630 2.326
63 HA HIS 9 HA HIS 9 8.875 -0.018 4.604
64 HB2 HIS 9 HB2 HIS 9 8.154 1.793 6.272
65 HB3 HIS 9 HB3 HIS 9 9.848 1.780 5.800
66 HD1 HIS 9 HD1 HIS 9 10.711 3.773 4.448
67 HD2 HIS 9 HD2 HIS 9 6.679 4.033 5.401
68 HE1 HIS 9 HE1 HIS 9 10.004 6.070 3.735
69 HE2 HIS 9 HE2 HIS 9 7.625 6.290 4.554
70 H SER 10 H SER 10 6.764 -0.122 5.825
71 HA SER 10 HA SER 10 4.661 -0.402 3.961
72 HB2 SER 10 HB2 SER 10 3.285 -0.821 6.061
73 HB3 SER 10 HB3 SER 10 4.695 -1.854 5.837
74 HG SER 10 HG SER 10 5.079 -1.212 7.820
75 H GLY 11 H GLY 11 5.384 2.060 6.371
76 HA2 GLY 11 HA2 GLY 11 2.891 3.299 6.500
77 HA3 GLY 11 HA3 GLY 11 4.418 4.052 6.912
78 H GLN 12 H GLN 12 5.182 3.489 3.923
79 HA GLN 12 HA GLN 12 4.176 6.083 3.074
80 HB2 GLN 12 HB2 GLN 12 5.865 6.110 1.436
81 HB3 GLN 12 HB3 GLN 12 6.613 5.372 2.845
82 HG2 GLN 12 HG2 GLN 12 6.325 3.174 1.878
83 HG3 GLN 12 HG3 GLN 12 5.505 3.874 0.482
84 HE21 GLN 12 HE21 GLN 12 6.929 3.250 -1.047
85 HE22 GLN 12 HE22 GLN 12 8.563 3.821 -1.139
86 H CYS 13 H CYS 13 3.388 2.817 2.650
87 HA CYS 13 HA CYS 13 2.359 3.221 -0.040
88 HB2 CYS 13 HB2 CYS 13 2.932 0.816 1.611
89 HB3 CYS 13 HB3 CYS 13 1.682 0.695 0.373
90 H LEU 14 H LEU 14 1.217 4.387 2.486
91 HA LEU 14 HA LEU 14 -1.492 3.391 2.392
92 HB2 LEU 14 HB2 LEU 14 -0.145 5.728 3.715
93 HB3 LEU 14 HB3 LEU 14 -1.881 5.642 3.613
94 HG LEU 14 HG LEU 14 -1.200 4.869 5.778
95 HD11 LEU 14 HD11 LEU 14 -2.024 2.585 4.011
96 HD12 LEU 14 HD12 LEU 14 -3.102 3.738 4.796
97 HD13 LEU 14 HD13 LEU 14 -2.154 2.608 5.768
98 HD21 LEU 14 HD21 LEU 14 0.582 3.032 4.227
99 HD22 LEU 14 HD22 LEU 14 0.184 2.770 5.925
100 HD23 LEU 14 HD23 LEU 14 1.047 4.230 5.432
101 H LYS 15 H LYS 15 0.384 6.057 1.181
102 HA LYS 15 HA LYS 15 -1.631 7.527 -0.050
103 HB2 LYS 15 HB2 LYS 15 0.331 8.681 0.322
104 HB3 LYS 15 HB3 LYS 15 1.340 7.367 -0.257
105 HG2 LYS 15 HG2 LYS 15 0.628 7.852 -2.539
106 HG3 LYS 15 HG3 LYS 15 -0.324 9.214 -1.948
107 HD2 LYS 15 HD2 LYS 15 1.836 9.967 -2.811
108 HD3 LYS 15 HD3 LYS 15 1.716 10.257 -1.075
109 HE2 LYS 15 HE2 LYS 15 3.049 8.271 -0.632
110 HE3 LYS 15 HE3 LYS 15 3.124 7.917 -2.357
111 HZ1 LYS 15 HZ1 LYS 15 5.143 8.978 -1.634
112 HZ2 LYS 15 HZ2 LYS 15 4.283 10.291 -1.004
113 HZ3 LYS 15 HZ3 LYS 15 4.307 10.019 -2.671
114 HA PRO 16 HA PRO 16 -0.626 5.473 -4.252
115 HB2 PRO 16 HB2 PRO 16 0.845 3.192 -4.351
116 HB3 PRO 16 HB3 PRO 16 1.558 4.803 -4.472
117 HG2 PRO 16 HG2 PRO 16 1.426 2.952 -2.132
118 HG3 PRO 16 HG3 PRO 16 2.747 4.013 -2.656
119 HD2 PRO 16 HD2 PRO 16 1.049 4.645 -0.614
120 HD3 PRO 16 HD3 PRO 16 1.856 5.858 -1.625
121 H CYS 17 H CYS 17 -1.035 3.378 -1.494
122 HA CYS 17 HA CYS 17 -2.564 1.389 -2.859
123 HB2 CYS 17 HB2 CYS 17 -1.377 0.828 -0.816
124 HB3 CYS 17 HB3 CYS 17 -2.298 2.027 0.083
125 H LYS 18 H LYS 18 -3.251 4.377 -1.185
126 HA LYS 18 HA LYS 18 -6.057 4.017 -0.972
127 HB2 LYS 18 HB2 LYS 18 -4.529 5.777 0.170
128 HB3 LYS 18 HB3 LYS 18 -4.730 6.695 -1.314
129 HG2 LYS 18 HG2 LYS 18 -6.364 7.536 0.128
130 HG3 LYS 18 HG3 LYS 18 -7.233 6.441 -0.949
131 HD2 LYS 18 HD2 LYS 18 -8.004 6.066 1.293
132 HD3 LYS 18 HD3 LYS 18 -7.046 4.672 0.794
133 HE2 LYS 18 HE2 LYS 18 -5.126 5.532 2.028
134 HE3 LYS 18 HE3 LYS 18 -6.046 6.962 2.487
135 HZ1 LYS 18 HZ1 LYS 18 -6.035 5.404 4.285
136 HZ2 LYS 18 HZ2 LYS 18 -6.604 4.160 3.293
137 HZ3 LYS 18 HZ3 LYS 18 -7.603 5.479 3.656
138 H LYS 19 H LYS 19 -3.901 5.313 -3.406
139 HA LYS 19 HA LYS 19 -5.948 6.159 -5.206
140 HB2 LYS 19 HB2 LYS 19 -3.581 7.023 -5.165
141 HB3 LYS 19 HB3 LYS 19 -3.070 5.483 -5.841
142 HG2 LYS 19 HG2 LYS 19 -4.421 5.892 -7.825
143 HG3 LYS 19 HG3 LYS 19 -4.965 7.424 -7.143
144 HD2 LYS 19 HD2 LYS 19 -2.597 8.173 -7.076
145 HD3 LYS 19 HD3 LYS 19 -2.141 6.679 -7.896
146 HE2 LYS 19 HE2 LYS 19 -2.317 8.464 -9.511
147 HE3 LYS 19 HE3 LYS 19 -3.615 7.301 -9.775
148 HZ1 LYS 19 HZ1 LYS 19 -3.859 9.913 -8.383
149 HZ2 LYS 19 HZ2 LYS 19 -5.109 8.787 -8.557
150 HZ3 LYS 19 HZ3 LYS 19 -4.456 9.537 -9.922
151 H ALA 20 H ALA 20 -4.222 3.202 -4.588
152 HA ALA 20 HA ALA 20 -4.891 1.795 -6.936
153 HB1 ALA 20 HB1 ALA 20 -3.175 1.107 -5.220
154 HB2 ALA 20 HB2 ALA 20 -4.250 -0.180 -5.772
155 HB3 ALA 20 HB3 ALA 20 -4.519 0.581 -4.204
156 H GLY 21 H GLY 21 -6.550 2.277 -3.871
157 HA2 GLY 21 HA2 GLY 21 -9.014 2.577 -4.211
158 HA3 GLY 21 HA3 GLY 21 -8.950 1.059 -5.091
159 H MET 22 H MET 22 -6.865 1.069 -2.427
160 HA MET 22 HA MET 22 -8.843 -0.514 -0.932
161 HB2 MET 22 HB2 MET 22 -5.824 -0.666 -0.877
162 HB3 MET 22 HB3 MET 22 -6.889 -1.598 0.166
163 HG2 MET 22 HG2 MET 22 -6.300 -3.064 -1.548
164 HG3 MET 22 HG3 MET 22 -7.921 -2.514 -1.967
165 HE1 MET 22 HE1 MET 22 -6.280 -2.954 -5.490
166 HE2 MET 22 HE2 MET 22 -7.654 -3.358 -4.461
167 HE3 MET 22 HE3 MET 22 -6.049 -3.971 -4.068
168 H ARG 23 H ARG 23 -7.821 -0.601 1.574
169 HA ARG 23 HA ARG 23 -8.213 2.189 2.354
170 HB2 ARG 23 HB2 ARG 23 -8.427 -0.390 3.901
171 HB3 ARG 23 HB3 ARG 23 -8.500 1.184 4.680
172 HG2 ARG 23 HG2 ARG 23 -10.392 1.710 3.064
173 HG3 ARG 23 HG3 ARG 23 -10.404 -0.015 2.709
174 HD2 ARG 23 HD2 ARG 23 -10.642 1.066 5.503
175 HD3 ARG 23 HD3 ARG 23 -12.041 0.786 4.468
176 HE ARG 23 HE ARG 23 -10.679 -1.575 4.409
177 HH11 ARG 23 HH11 ARG 23 -12.021 0.434 6.943
178 HH12 ARG 23 HH12 ARG 23 -12.313 -0.899 8.014
179 HH21 ARG 23 HH21 ARG 23 -11.070 -3.319 5.800
180 HH22 ARG 23 HH22 ARG 23 -11.775 -3.040 7.359
181 H PHE 24 H PHE 24 -6.152 -0.494 3.445
182 HA PHE 24 HA PHE 24 -4.101 1.506 4.157
183 HB2 PHE 24 HB2 PHE 24 -3.853 -1.015 5.586
184 HB3 PHE 24 HB3 PHE 24 -3.903 0.627 6.226
185 HD1 PHE 24 HD1 PHE 24 -6.007 -2.103 4.970
186 HD2 PHE 24 HD2 PHE 24 -5.807 1.370 7.384
187 HE1 PHE 24 HE1 PHE 24 -8.256 -2.587 5.811
188 HE2 PHE 24 HE2 PHE 24 -8.066 0.907 8.249
189 HZ PHE 24 HZ PHE 24 -9.296 -1.078 7.466
190 H GLY 25 H GLY 25 -1.879 0.632 4.148
191 HA2 GLY 25 HA2 GLY 25 -1.515 -1.568 2.246
192 HA3 GLY 25 HA3 GLY 25 -0.833 0.004 1.859
193 H LYS 26 H LYS 26 0.418 -2.632 2.367
194 HA LYS 26 HA LYS 26 2.351 -1.733 4.382
195 HB2 LYS 26 HB2 LYS 26 1.087 -4.468 4.186
196 HB3 LYS 26 HB3 LYS 26 2.555 -4.150 5.096
197 HG2 LYS 26 HG2 LYS 26 1.369 -2.594 6.522
198 HG3 LYS 26 HG3 LYS 26 -0.108 -2.836 5.588
199 HD2 LYS 26 HD2 LYS 26 -0.220 -4.151 7.607
200 HD3 LYS 26 HD3 LYS 26 -0.062 -5.232 6.223
201 HE2 LYS 26 HE2 LYS 26 2.315 -5.480 6.670
202 HE3 LYS 26 HE3 LYS 26 2.195 -4.358 8.023
203 HZ1 LYS 26 HZ1 LYS 26 0.798 -6.973 7.831
204 HZ2 LYS 26 HZ2 LYS 26 0.726 -5.903 9.136
205 HZ3 LYS 26 HZ3 LYS 26 2.184 -6.666 8.752
206 H CYS 27 H CYS 27 4.388 -3.134 4.222
207 HA CYS 27 HA CYS 27 5.038 -3.239 1.353
208 HB2 CYS 27 HB2 CYS 27 6.260 -1.543 2.644
209 HB3 CYS 27 HB3 CYS 27 6.854 -2.790 3.733
210 H ILE 28 H ILE 28 5.440 -5.158 0.471
211 HA ILE 28 HA ILE 28 6.302 -7.335 2.252
212 HB ILE 28 HB ILE 28 4.390 -7.380 -0.105
213 HG12 ILE 28 HG12 ILE 28 4.144 -7.850 2.845
214 HG13 ILE 28 HG13 ILE 28 3.256 -6.721 1.832
215 HG21 ILE 28 HG21 ILE 28 4.156 -9.781 0.208
216 HG22 ILE 28 HG22 ILE 28 5.451 -9.765 1.407
217 HG23 ILE 28 HG23 ILE 28 5.801 -9.366 -0.276
218 HD11 ILE 28 HD11 ILE 28 2.110 -8.612 0.769
219 HD12 ILE 28 HD12 ILE 28 1.827 -8.535 2.507
220 HD13 ILE 28 HD13 ILE 28 2.962 -9.714 1.849
221 H ASN 29 H ASN 29 7.307 -9.136 0.556
222 HA ASN 29 HA ASN 29 9.758 -7.981 -0.196
223 HB2 ASN 29 HB2 ASN 29 10.227 -10.273 -1.174
224 HB3 ASN 29 HB3 ASN 29 9.803 -10.225 0.531
225 HD21 ASN 29 HD21 ASN 29 7.495 -9.913 -2.115
226 HD22 ASN 29 HD22 ASN 29 6.691 -11.422 -1.821
227 H GLY 30 H GLY 30 8.271 -6.411 -1.650
228 HA2 GLY 30 HA2 GLY 30 9.264 -5.906 -3.949
229 HA3 GLY 30 HA3 GLY 30 8.452 -7.393 -4.415
230 H LYS 31 H LYS 31 6.233 -6.551 -2.413
231 HA LYS 31 HA LYS 31 4.892 -4.766 -4.332
232 HB2 LYS 31 HB2 LYS 31 2.866 -6.074 -4.055
233 HB3 LYS 31 HB3 LYS 31 4.179 -7.133 -4.557
234 HG2 LYS 31 HG2 LYS 31 4.475 -7.902 -2.279
235 HG3 LYS 31 HG3 LYS 31 3.217 -6.798 -1.727
236 HD2 LYS 31 HD2 LYS 31 2.342 -9.038 -1.924
237 HD3 LYS 31 HD3 LYS 31 1.583 -7.990 -3.122
238 HE2 LYS 31 HE2 LYS 31 3.172 -8.858 -4.813
239 HE3 LYS 31 HE3 LYS 31 3.814 -9.962 -3.599
240 HZ1 LYS 31 HZ1 LYS 31 2.192 -11.038 -5.027
241 HZ2 LYS 31 HZ2 LYS 31 1.014 -9.914 -4.571
242 HZ3 LYS 31 HZ3 LYS 31 1.642 -10.989 -3.428
243 H CYS 32 H CYS 32 2.977 -3.679 -3.356
244 HA CYS 32 HA CYS 32 3.175 -3.560 -0.438
245 HB2 CYS 32 HB2 CYS 32 2.560 -1.401 -2.421
246 HB3 CYS 32 HB3 CYS 32 1.769 -1.346 -0.838
247 H ASP 33 H ASP 33 1.880 -5.035 0.252
248 HA ASP 33 HA ASP 33 -0.601 -5.681 -1.030
249 HB2 ASP 33 HB2 ASP 33 0.543 -7.504 -0.069
250 HB3 ASP 33 HB3 ASP 33 0.808 -6.653 1.448
251 H CYS 34 H CYS 34 -2.680 -5.525 -0.031
252 HA CYS 34 HA CYS 34 -2.901 -3.290 1.849
253 HB2 CYS 34 HB2 CYS 34 -4.114 -3.463 -0.905
254 HB3 CYS 34 HB3 CYS 34 -4.681 -2.342 0.325
255 H THR 35 H THR 35 -4.990 -3.082 2.835
256 HA THR 35 HA THR 35 -6.798 -5.338 2.305
257 HB THR 35 HB THR 35 -6.603 -3.709 4.849
258 HG1 THR 35 HG1 THR 35 -5.441 -6.091 4.010
259 HG21 THR 35 HG21 THR 35 -8.885 -4.598 4.098
260 HG22 THR 35 HG22 THR 35 -8.335 -5.037 5.723
261 HG23 THR 35 HG23 THR 35 -8.216 -6.206 4.407
262 HA PRO 36 HA PRO 36 -9.108 -2.022 0.560
263 HB2 PRO 36 HB2 PRO 36 -11.119 -3.456 -0.439
264 HB3 PRO 36 HB3 PRO 36 -9.488 -3.589 -1.097
265 HG2 PRO 36 HG2 PRO 36 -10.919 -5.410 0.793
266 HG3 PRO 36 HG3 PRO 36 -9.892 -5.815 -0.589
267 HD2 PRO 36 HD2 PRO 36 -9.047 -5.823 2.027
268 HD3 PRO 36 HD3 PRO 36 -7.973 -5.616 0.634
269 H LYS 37 H LYS 37 -11.819 -1.962 0.371
270 HA LYS 37 HA LYS 37 -12.538 -1.109 3.015
271 HB2 LYS 37 HB2 LYS 37 -13.969 -1.039 0.371
272 HB3 LYS 37 HB3 LYS 37 -14.769 -0.576 1.862
273 HG2 LYS 37 HG2 LYS 37 -14.035 1.425 0.893
274 HG3 LYS 37 HG3 LYS 37 -12.890 1.090 2.189
275 HD2 LYS 37 HD2 LYS 37 -11.322 0.159 0.541
276 HD3 LYS 37 HD3 LYS 37 -12.467 0.540 -0.747
277 HE2 LYS 37 HE2 LYS 37 -11.142 2.522 1.100
278 HE3 LYS 37 HE3 LYS 37 -10.728 2.242 -0.590
279 HZ1 LYS 37 HZ1 LYS 37 -13.314 3.294 0.430
280 HZ2 LYS 37 HZ2 LYS 37 -12.967 2.976 -1.196
281 HZ3 LYS 37 HZ3 LYS 37 -12.119 4.182 -0.371
Start of MODEL 8
1 H1 VAL 1 H1 VAL 1 -6.250 -8.972 -3.947
2 H2 VAL 1 H2 VAL 1 -4.879 -9.351 -3.033
3 H3 VAL 1 H3 VAL 1 -4.773 -9.262 -4.716
4 HA VAL 1 HA VAL 1 -5.183 -6.935 -4.704
5 HB VAL 1 HB VAL 1 -5.182 -5.735 -2.469
6 HG11 VAL 1 HG11 VAL 1 -7.548 -5.844 -2.247
7 HG12 VAL 1 HG12 VAL 1 -7.599 -7.474 -2.921
8 HG13 VAL 1 HG13 VAL 1 -7.182 -6.107 -3.954
9 HG21 VAL 1 HG21 VAL 1 -4.421 -7.590 -1.078
10 HG22 VAL 1 HG22 VAL 1 -5.888 -8.492 -1.459
11 HG23 VAL 1 HG23 VAL 1 -5.987 -6.999 -0.526
12 H GLY 2 H GLY 2 -3.591 -5.239 -3.483
13 HA2 GLY 2 HA2 GLY 2 -1.335 -4.974 -2.687
14 HA3 GLY 2 HA3 GLY 2 -0.994 -6.605 -3.257
15 H ILE 3 H ILE 3 -0.025 -3.691 -3.876
16 HA ILE 3 HA ILE 3 -0.579 -3.729 -6.768
17 HB ILE 3 HB ILE 3 -0.216 -1.359 -6.780
18 HG12 ILE 3 HG12 ILE 3 0.553 -1.702 -3.878
19 HG13 ILE 3 HG13 ILE 3 1.628 -1.247 -5.190
20 HG21 ILE 3 HG21 ILE 3 -1.988 -0.639 -5.160
21 HG22 ILE 3 HG22 ILE 3 -1.955 -2.268 -4.490
22 HG23 ILE 3 HG23 ILE 3 -2.437 -2.013 -6.167
23 HD11 ILE 3 HD11 ILE 3 -0.591 0.349 -3.991
24 HD12 ILE 3 HD12 ILE 3 0.216 0.804 -5.487
25 HD13 ILE 3 HD13 ILE 3 1.130 0.712 -3.979
26 H ASN 4 H ASN 4 1.245 -2.302 -7.883
27 HA ASN 4 HA ASN 4 3.707 -3.827 -7.412
28 HB2 ASN 4 HB2 ASN 4 2.357 -2.787 -9.860
29 HB3 ASN 4 HB3 ASN 4 4.105 -2.939 -9.869
30 HD21 ASN 4 HD21 ASN 4 5.035 -4.980 -9.724
31 HD22 ASN 4 HD22 ASN 4 4.127 -6.421 -10.029
32 H VAL 5 H VAL 5 3.157 -1.511 -5.905
33 HA VAL 5 HA VAL 5 4.992 0.472 -7.021
34 HB VAL 5 HB VAL 5 2.626 0.715 -5.509
35 HG11 VAL 5 HG11 VAL 5 3.763 0.428 -3.440
36 HG12 VAL 5 HG12 VAL 5 3.380 2.137 -3.620
37 HG13 VAL 5 HG13 VAL 5 5.023 1.568 -3.907
38 HG21 VAL 5 HG21 VAL 5 3.053 3.127 -5.721
39 HG22 VAL 5 HG22 VAL 5 3.316 2.248 -7.230
40 HG23 VAL 5 HG23 VAL 5 4.694 2.767 -6.261
41 H ASP 6 H ASP 6 6.659 1.332 -5.527
42 HA ASP 6 HA ASP 6 7.893 -0.948 -4.146
43 HB2 ASP 6 HB2 ASP 6 9.201 1.547 -5.233
44 HB3 ASP 6 HB3 ASP 6 10.035 0.197 -4.478
45 H CYS 7 H CYS 7 7.660 -0.894 -2.040
46 HA CYS 7 HA CYS 7 7.358 1.649 -0.665
47 HB2 CYS 7 HB2 CYS 7 6.991 0.161 1.353
48 HB3 CYS 7 HB3 CYS 7 5.790 0.055 0.082
49 H LYS 8 H LYS 8 8.958 2.634 0.350
50 HA LYS 8 HA LYS 8 11.370 1.227 1.098
51 HB2 LYS 8 HB2 LYS 8 10.420 3.965 1.978
52 HB3 LYS 8 HB3 LYS 8 12.057 3.335 2.097
53 HG2 LYS 8 HG2 LYS 8 10.573 3.881 -0.462
54 HG3 LYS 8 HG3 LYS 8 11.809 4.918 0.252
55 HD2 LYS 8 HD2 LYS 8 13.446 3.105 0.022
56 HD3 LYS 8 HD3 LYS 8 12.207 2.084 -0.706
57 HE2 LYS 8 HE2 LYS 8 13.681 3.131 -2.383
58 HE3 LYS 8 HE3 LYS 8 11.993 3.602 -2.573
59 HZ1 LYS 8 HZ1 LYS 8 12.482 5.686 -1.461
60 HZ2 LYS 8 HZ2 LYS 8 13.490 5.489 -2.802
61 HZ3 LYS 8 HZ3 LYS 8 14.097 5.229 -1.245
62 H HIS 9 H HIS 9 8.250 1.826 2.305
63 HA HIS 9 HA HIS 9 8.570 0.073 4.498
64 HB2 HIS 9 HB2 HIS 9 7.917 1.788 6.278
65 HB3 HIS 9 HB3 HIS 9 9.598 1.785 5.762
66 HD1 HIS 9 HD1 HIS 9 10.434 3.854 4.479
67 HD2 HIS 9 HD2 HIS 9 6.449 4.074 5.632
68 HE1 HIS 9 HE1 HIS 9 9.729 6.212 4.024
69 HE2 HIS 9 HE2 HIS 9 7.388 6.381 4.935
70 H SER 10 H SER 10 6.496 -0.033 5.814
71 HA SER 10 HA SER 10 4.359 -0.384 4.054
72 HB2 SER 10 HB2 SER 10 3.004 -0.598 6.209
73 HB3 SER 10 HB3 SER 10 4.396 -1.670 6.047
74 HG SER 10 HG SER 10 3.905 0.252 7.897
75 H GLY 11 H GLY 11 5.139 2.289 6.191
76 HA2 GLY 11 HA2 GLY 11 2.752 3.667 6.237
77 HA3 GLY 11 HA3 GLY 11 4.331 4.421 6.351
78 H GLN 12 H GLN 12 5.197 3.697 3.671
79 HA GLN 12 HA GLN 12 3.660 5.755 2.301
80 HB2 GLN 12 HB2 GLN 12 5.508 5.581 0.559
81 HB3 GLN 12 HB3 GLN 12 5.912 6.256 2.124
82 HG2 GLN 12 HG2 GLN 12 7.160 4.426 2.746
83 HG3 GLN 12 HG3 GLN 12 6.389 3.372 1.560
84 HE21 GLN 12 HE21 GLN 12 8.594 6.085 1.941
85 HE22 GLN 12 HE22 GLN 12 9.455 5.819 0.464
86 H CYS 13 H CYS 13 3.023 2.684 2.584
87 HA CYS 13 HA CYS 13 2.458 2.177 -0.228
88 HB2 CYS 13 HB2 CYS 13 1.949 0.607 2.297
89 HB3 CYS 13 HB3 CYS 13 1.247 0.142 0.755
90 H LEU 14 H LEU 14 1.064 3.574 2.542
91 HA LEU 14 HA LEU 14 -1.659 3.173 2.150
92 HB2 LEU 14 HB2 LEU 14 -0.061 5.351 3.443
93 HB3 LEU 14 HB3 LEU 14 -1.789 5.503 3.298
94 HG LEU 14 HG LEU 14 -1.245 4.712 5.498
95 HD11 LEU 14 HD11 LEU 14 -2.407 2.538 3.788
96 HD12 LEU 14 HD12 LEU 14 -3.287 3.864 4.545
97 HD13 LEU 14 HD13 LEU 14 -2.530 2.622 5.543
98 HD21 LEU 14 HD21 LEU 14 0.930 3.709 4.867
99 HD22 LEU 14 HD22 LEU 14 0.056 2.327 4.208
100 HD23 LEU 14 HD23 LEU 14 -0.044 2.696 5.930
101 H LYS 15 H LYS 15 0.451 5.727 0.908
102 HA LYS 15 HA LYS 15 -1.545 7.279 -0.254
103 HB2 LYS 15 HB2 LYS 15 0.470 8.357 0.143
104 HB3 LYS 15 HB3 LYS 15 1.419 7.067 -0.579
105 HG2 LYS 15 HG2 LYS 15 0.604 7.708 -2.772
106 HG3 LYS 15 HG3 LYS 15 -0.314 9.031 -2.054
107 HD2 LYS 15 HD2 LYS 15 1.756 9.903 -2.940
108 HD3 LYS 15 HD3 LYS 15 1.813 9.964 -1.179
109 HE2 LYS 15 HE2 LYS 15 3.934 9.178 -2.007
110 HE3 LYS 15 HE3 LYS 15 3.112 7.851 -1.190
111 HZ1 LYS 15 HZ1 LYS 15 3.352 8.279 -4.113
112 HZ2 LYS 15 HZ2 LYS 15 2.362 7.103 -3.422
113 HZ3 LYS 15 HZ3 LYS 15 4.036 7.029 -3.204
114 HA PRO 16 HA PRO 16 -0.643 5.341 -4.519
115 HB2 PRO 16 HB2 PRO 16 0.759 3.001 -4.676
116 HB3 PRO 16 HB3 PRO 16 1.481 4.603 -4.847
117 HG2 PRO 16 HG2 PRO 16 1.511 2.747 -2.536
118 HG3 PRO 16 HG3 PRO 16 2.743 3.895 -3.077
119 HD2 PRO 16 HD2 PRO 16 1.045 4.326 -0.952
120 HD3 PRO 16 HD3 PRO 16 1.854 5.605 -1.873
121 H CYS 17 H CYS 17 -1.072 3.036 -1.855
122 HA CYS 17 HA CYS 17 -2.804 1.328 -3.311
123 HB2 CYS 17 HB2 CYS 17 -2.034 1.694 -0.452
124 HB3 CYS 17 HB3 CYS 17 -3.412 0.704 -0.857
125 H LYS 18 H LYS 18 -3.188 4.258 -1.448
126 HA LYS 18 HA LYS 18 -6.014 4.163 -1.248
127 HB2 LYS 18 HB2 LYS 18 -4.675 5.591 0.176
128 HB3 LYS 18 HB3 LYS 18 -4.046 6.451 -1.220
129 HG2 LYS 18 HG2 LYS 18 -6.319 7.279 -1.691
130 HG3 LYS 18 HG3 LYS 18 -6.887 6.468 -0.227
131 HD2 LYS 18 HD2 LYS 18 -4.675 8.500 -0.272
132 HD3 LYS 18 HD3 LYS 18 -6.362 8.909 0.058
133 HE2 LYS 18 HE2 LYS 18 -6.325 7.367 1.977
134 HE3 LYS 18 HE3 LYS 18 -4.632 7.010 1.643
135 HZ1 LYS 18 HZ1 LYS 18 -5.721 9.673 2.362
136 HZ2 LYS 18 HZ2 LYS 18 -4.098 9.325 2.051
137 HZ3 LYS 18 HZ3 LYS 18 -4.864 8.650 3.396
138 H LYS 19 H LYS 19 -3.726 5.471 -3.594
139 HA LYS 19 HA LYS 19 -5.668 6.524 -5.371
140 HB2 LYS 19 HB2 LYS 19 -3.264 7.137 -5.457
141 HB3 LYS 19 HB3 LYS 19 -2.883 5.507 -5.993
142 HG2 LYS 19 HG2 LYS 19 -4.076 5.837 -8.048
143 HG3 LYS 19 HG3 LYS 19 -4.671 7.405 -7.499
144 HD2 LYS 19 HD2 LYS 19 -2.846 7.757 -9.023
145 HD3 LYS 19 HD3 LYS 19 -2.324 8.206 -7.400
146 HE2 LYS 19 HE2 LYS 19 -0.565 6.976 -8.488
147 HE3 LYS 19 HE3 LYS 19 -1.232 5.997 -7.183
148 HZ1 LYS 19 HZ1 LYS 19 -0.842 4.741 -9.245
149 HZ2 LYS 19 HZ2 LYS 19 -1.968 5.710 -10.046
150 HZ3 LYS 19 HZ3 LYS 19 -2.466 4.713 -8.773
151 H ALA 20 H ALA 20 -4.249 3.365 -4.887
152 HA ALA 20 HA ALA 20 -5.322 2.116 -7.191
153 HB1 ALA 20 HB1 ALA 20 -3.467 1.181 -5.808
154 HB2 ALA 20 HB2 ALA 20 -4.770 0.032 -6.121
155 HB3 ALA 20 HB3 ALA 20 -4.652 0.821 -4.549
156 H GLY 21 H GLY 21 -6.418 2.339 -3.826
157 HA2 GLY 21 HA2 GLY 21 -8.881 2.944 -3.757
158 HA3 GLY 21 HA3 GLY 21 -9.095 1.497 -4.725
159 H MET 22 H MET 22 -6.626 1.261 -2.374
160 HA MET 22 HA MET 22 -8.381 -0.511 -0.832
161 HB2 MET 22 HB2 MET 22 -5.379 -0.413 -1.075
162 HB3 MET 22 HB3 MET 22 -6.206 -1.399 0.122
163 HG2 MET 22 HG2 MET 22 -5.729 -2.838 -1.665
164 HG3 MET 22 HG3 MET 22 -7.450 -2.468 -1.797
165 HE1 MET 22 HE1 MET 22 -6.469 -2.794 -5.555
166 HE2 MET 22 HE2 MET 22 -7.601 -3.280 -4.293
167 HE3 MET 22 HE3 MET 22 -5.912 -3.779 -4.201
168 H ARG 23 H ARG 23 -7.465 -0.716 1.593
169 HA ARG 23 HA ARG 23 -8.114 1.970 2.570
170 HB2 ARG 23 HB2 ARG 23 -8.313 -0.748 3.863
171 HB3 ARG 23 HB3 ARG 23 -8.672 0.751 4.706
172 HG2 ARG 23 HG2 ARG 23 -10.325 1.204 2.818
173 HG3 ARG 23 HG3 ARG 23 -10.111 -0.494 2.405
174 HD2 ARG 23 HD2 ARG 23 -10.877 0.411 5.158
175 HD3 ARG 23 HD3 ARG 23 -12.072 0.072 3.909
176 HE ARG 23 HE ARG 23 -10.655 -2.188 3.904
177 HH11 ARG 23 HH11 ARG 23 -11.968 -0.313 6.555
178 HH12 ARG 23 HH12 ARG 23 -12.226 -1.696 7.571
179 HH21 ARG 23 HH21 ARG 23 -10.978 -3.997 5.234
180 HH22 ARG 23 HH22 ARG 23 -11.654 -3.799 6.820
181 H PHE 24 H PHE 24 -5.932 -0.693 3.400
182 HA PHE 24 HA PHE 24 -4.304 1.233 4.929
183 HB2 PHE 24 HB2 PHE 24 -3.966 -1.714 5.249
184 HB3 PHE 24 HB3 PHE 24 -3.823 -0.433 6.451
185 HD1 PHE 24 HD2 PHE 24 -5.873 0.516 7.488
186 HD2 PHE 24 HD1 PHE 24 -5.982 -2.756 4.799
187 HE1 PHE 24 HE2 PHE 24 -8.175 0.009 8.202
188 HE2 PHE 24 HE1 PHE 24 -8.277 -3.274 5.491
189 HZ PHE 24 HZ PHE 24 -9.380 -1.892 7.208
190 H GLY 25 H GLY 25 -2.032 -0.548 5.104
191 HA2 GLY 25 HA2 GLY 25 -1.167 -1.328 2.516
192 HA3 GLY 25 HA3 GLY 25 -0.550 0.270 2.906
193 H LYS 26 H LYS 26 0.478 -2.698 2.702
194 HA LYS 26 HA LYS 26 2.317 -2.395 4.978
195 HB2 LYS 26 HB2 LYS 26 0.578 -4.227 5.329
196 HB3 LYS 26 HB3 LYS 26 1.325 -5.061 3.975
197 HG2 LYS 26 HG2 LYS 26 3.443 -5.148 5.186
198 HG3 LYS 26 HG3 LYS 26 2.690 -4.321 6.551
199 HD2 LYS 26 HD2 LYS 26 1.080 -6.186 6.745
200 HD3 LYS 26 HD3 LYS 26 1.926 -7.018 5.440
201 HE2 LYS 26 HE2 LYS 26 2.658 -7.887 7.576
202 HE3 LYS 26 HE3 LYS 26 3.978 -7.016 6.800
203 HZ1 LYS 26 HZ1 LYS 26 2.230 -5.912 8.927
204 HZ2 LYS 26 HZ2 LYS 26 3.547 -5.131 8.218
205 HZ3 LYS 26 HZ3 LYS 26 3.792 -6.507 9.167
206 H CYS 27 H CYS 27 4.431 -3.325 4.574
207 HA CYS 27 HA CYS 27 5.085 -2.989 1.744
208 HB2 CYS 27 HB2 CYS 27 6.222 -1.571 3.463
209 HB3 CYS 27 HB3 CYS 27 6.957 -3.029 4.117
210 H ILE 28 H ILE 28 5.393 -4.716 0.549
211 HA ILE 28 HA ILE 28 6.408 -7.160 1.796
212 HB ILE 28 HB ILE 28 4.534 -6.599 -0.474
213 HG12 ILE 28 HG12 ILE 28 4.565 -8.283 1.975
214 HG13 ILE 28 HG13 ILE 28 3.442 -7.011 1.534
215 HG21 ILE 28 HG21 ILE 28 5.983 -8.016 -1.617
216 HG22 ILE 28 HG22 ILE 28 4.662 -9.044 -1.078
217 HG23 ILE 28 HG23 ILE 28 6.209 -9.072 -0.230
218 HD11 ILE 28 HD11 ILE 28 2.618 -8.506 -0.293
219 HD12 ILE 28 HD12 ILE 28 2.288 -9.070 1.345
220 HD13 ILE 28 HD13 ILE 28 3.597 -9.793 0.409
221 H ASN 29 H ASN 29 7.856 -8.433 0.242
222 HA ASN 29 HA ASN 29 10.229 -7.190 -0.073
223 HB2 ASN 29 HB2 ASN 29 10.894 -8.981 -1.634
224 HB3 ASN 29 HB3 ASN 29 10.010 -9.599 -0.245
225 HD21 ASN 29 HD21 ASN 29 9.986 -9.097 -3.670
226 HD22 ASN 29 HD22 ASN 29 8.580 -10.051 -4.004
227 H GLY 30 H GLY 30 7.722 -7.296 -2.569
228 HA2 GLY 30 HA2 GLY 30 8.999 -4.951 -3.763
229 HA3 GLY 30 HA3 GLY 30 8.681 -6.330 -4.804
230 H LYS 31 H LYS 31 6.397 -5.888 -2.289
231 HA LYS 31 HA LYS 31 4.520 -4.754 -4.258
232 HB2 LYS 31 HB2 LYS 31 3.960 -7.002 -2.311
233 HB3 LYS 31 HB3 LYS 31 2.775 -6.251 -3.365
234 HG2 LYS 31 HG2 LYS 31 3.823 -7.153 -5.305
235 HG3 LYS 31 HG3 LYS 31 5.206 -7.719 -4.360
236 HD2 LYS 31 HD2 LYS 31 3.759 -9.253 -3.136
237 HD3 LYS 31 HD3 LYS 31 2.357 -8.664 -4.029
238 HE2 LYS 31 HE2 LYS 31 4.749 -9.972 -5.313
239 HE3 LYS 31 HE3 LYS 31 3.286 -10.836 -4.849
240 HZ1 LYS 31 HZ1 LYS 31 3.427 -8.592 -6.784
241 HZ2 LYS 31 HZ2 LYS 31 2.021 -9.421 -6.338
242 HZ3 LYS 31 HZ3 LYS 31 3.248 -10.226 -7.178
243 H CYS 32 H CYS 32 3.085 -3.251 -3.430
244 HA CYS 32 HA CYS 32 3.104 -2.890 -0.532
245 HB2 CYS 32 HB2 CYS 32 2.153 -1.188 -2.807
246 HB3 CYS 32 HB3 CYS 32 1.388 -0.993 -1.235
247 H ASP 33 H ASP 33 2.104 -4.756 0.082
248 HA ASP 33 HA ASP 33 -0.435 -5.524 -1.021
249 HB2 ASP 33 HB2 ASP 33 1.007 -7.266 -0.199
250 HB3 ASP 33 HB3 ASP 33 1.104 -6.512 1.387
251 H CYS 34 H CYS 34 -2.253 -4.584 -0.565
252 HA CYS 34 HA CYS 34 -2.634 -3.342 2.064
253 HB2 CYS 34 HB2 CYS 34 -3.406 -2.081 -0.574
254 HB3 CYS 34 HB3 CYS 34 -3.547 -1.360 1.026
255 H THR 35 H THR 35 -4.748 -3.421 2.840
256 HA THR 35 HA THR 35 -6.389 -5.416 1.494
257 HB THR 35 HB THR 35 -6.723 -4.224 4.254
258 HG1 THR 35 HG1 THR 35 -4.891 -5.378 4.425
259 HG21 THR 35 HG21 THR 35 -8.766 -5.223 3.247
260 HG22 THR 35 HG22 THR 35 -8.203 -6.070 4.692
261 HG23 THR 35 HG23 THR 35 -7.890 -6.750 3.095
262 HA PRO 36 HA PRO 36 -9.048 -2.188 0.060
263 HB2 PRO 36 HB2 PRO 36 -10.832 -3.706 -1.201
264 HB3 PRO 36 HB3 PRO 36 -9.158 -3.644 -1.751
265 HG2 PRO 36 HG2 PRO 36 -10.516 -5.712 -0.061
266 HG3 PRO 36 HG3 PRO 36 -9.454 -5.942 -1.462
267 HD2 PRO 36 HD2 PRO 36 -8.605 -6.103 1.136
268 HD3 PRO 36 HD3 PRO 36 -7.554 -5.646 -0.217
269 H LYS 37 H LYS 37 -11.794 -2.471 -0.214
270 HA LYS 37 HA LYS 37 -12.707 -1.921 2.430
271 HB2 LYS 37 HB2 LYS 37 -14.131 -2.226 -0.198
272 HB3 LYS 37 HB3 LYS 37 -15.023 -2.023 1.298
273 HG2 LYS 37 HG2 LYS 37 -14.912 0.118 0.427
274 HG3 LYS 37 HG3 LYS 37 -13.613 0.095 1.619
275 HD2 LYS 37 HD2 LYS 37 -11.964 -0.195 -0.095
276 HD3 LYS 37 HD3 LYS 37 -13.214 -0.415 -1.323
277 HE2 LYS 37 HE2 LYS 37 -13.983 1.889 -0.914
278 HE3 LYS 37 HE3 LYS 37 -12.684 2.099 0.256
279 HZ1 LYS 37 HZ1 LYS 37 -12.341 1.530 -2.638
280 HZ2 LYS 37 HZ2 LYS 37 -11.083 1.705 -1.522
281 HZ3 LYS 37 HZ3 LYS 37 -12.079 3.023 -1.884
Start of MODEL 9
1 H1 VAL 1 H1 VAL 1 -5.429 -8.451 -4.770
2 H2 VAL 1 H2 VAL 1 -6.670 -8.226 -3.649
3 H3 VAL 1 H3 VAL 1 -5.201 -8.907 -3.159
4 HA VAL 1 HA VAL 1 -5.560 -6.155 -4.178
5 HB VAL 1 HB VAL 1 -4.954 -5.483 -1.841
6 HG11 VAL 1 HG11 VAL 1 -7.173 -5.618 -1.016
7 HG12 VAL 1 HG12 VAL 1 -7.501 -7.085 -1.936
8 HG13 VAL 1 HG13 VAL 1 -7.300 -5.547 -2.772
9 HG21 VAL 1 HG21 VAL 1 -3.969 -7.592 -1.112
10 HG22 VAL 1 HG22 VAL 1 -5.539 -8.384 -1.244
11 HG23 VAL 1 HG23 VAL 1 -5.289 -7.115 -0.045
12 H GLY 2 H GLY 2 -3.549 -4.906 -3.058
13 HA2 GLY 2 HA2 GLY 2 -1.194 -4.907 -2.746
14 HA3 GLY 2 HA3 GLY 2 -1.117 -6.475 -3.539
15 H ILE 3 H ILE 3 -0.088 -3.502 -3.941
16 HA ILE 3 HA ILE 3 -0.996 -3.185 -6.720
17 HB ILE 3 HB ILE 3 -0.545 -0.867 -6.505
18 HG12 ILE 3 HG12 ILE 3 0.802 -1.548 -3.881
19 HG13 ILE 3 HG13 ILE 3 1.617 -1.047 -5.356
20 HG21 ILE 3 HG21 ILE 3 -1.873 -0.260 -4.488
21 HG22 ILE 3 HG22 ILE 3 -1.758 -1.934 -3.956
22 HG23 ILE 3 HG23 ILE 3 -2.606 -1.539 -5.450
23 HD11 ILE 3 HD11 ILE 3 -0.301 0.608 -3.766
24 HD12 ILE 3 HD12 ILE 3 0.540 1.122 -5.225
25 HD13 ILE 3 HD13 ILE 3 1.450 0.770 -3.755
26 H ASN 4 H ASN 4 0.732 -1.840 -7.991
27 HA ASN 4 HA ASN 4 3.250 -3.349 -7.837
28 HB2 ASN 4 HB2 ASN 4 2.114 -3.500 -10.002
29 HB3 ASN 4 HB3 ASN 4 2.074 -1.744 -10.124
30 HD21 ASN 4 HD21 ASN 4 3.239 -1.743 -12.039
31 HD22 ASN 4 HD22 ASN 4 4.934 -2.088 -12.089
32 H VAL 5 H VAL 5 4.419 -2.241 -6.378
33 HA VAL 5 HA VAL 5 5.390 0.377 -7.091
34 HB VAL 5 HB VAL 5 3.118 0.465 -5.641
35 HG11 VAL 5 HG11 VAL 5 3.577 0.720 -3.300
36 HG12 VAL 5 HG12 VAL 5 5.264 0.288 -3.559
37 HG13 VAL 5 HG13 VAL 5 3.993 -0.899 -3.853
38 HG21 VAL 5 HG21 VAL 5 3.781 2.661 -4.844
39 HG22 VAL 5 HG22 VAL 5 4.369 2.405 -6.488
40 HG23 VAL 5 HG23 VAL 5 5.477 2.274 -5.123
41 H ASP 6 H ASP 6 6.843 1.084 -5.011
42 HA ASP 6 HA ASP 6 8.057 -1.303 -3.832
43 HB2 ASP 6 HB2 ASP 6 9.510 0.757 -5.446
44 HB3 ASP 6 HB3 ASP 6 10.337 -0.163 -4.201
45 H CYS 7 H CYS 7 7.861 -1.048 -1.800
46 HA CYS 7 HA CYS 7 7.804 1.596 -0.586
47 HB2 CYS 7 HB2 CYS 7 7.140 0.281 1.471
48 HB3 CYS 7 HB3 CYS 7 6.013 0.217 0.129
49 H LYS 8 H LYS 8 9.344 2.394 0.706
50 HA LYS 8 HA LYS 8 11.591 0.767 1.542
51 HB2 LYS 8 HB2 LYS 8 11.834 3.211 1.014
52 HB3 LYS 8 HB3 LYS 8 10.795 3.568 2.382
53 HG2 LYS 8 HG2 LYS 8 12.391 2.584 3.893
54 HG3 LYS 8 HG3 LYS 8 13.446 2.161 2.544
55 HD2 LYS 8 HD2 LYS 8 13.624 4.571 1.988
56 HD3 LYS 8 HD3 LYS 8 12.668 4.940 3.424
57 HE2 LYS 8 HE2 LYS 8 15.333 3.527 3.390
58 HE3 LYS 8 HE3 LYS 8 15.067 5.210 3.837
59 HZ1 LYS 8 HZ1 LYS 8 13.895 2.877 5.250
60 HZ2 LYS 8 HZ2 LYS 8 13.750 4.497 5.703
61 HZ3 LYS 8 HZ3 LYS 8 15.255 3.736 5.764
62 H HIS 9 H HIS 9 8.476 1.623 2.537
63 HA HIS 9 HA HIS 9 8.515 0.069 4.925
64 HB2 HIS 9 HB2 HIS 9 7.780 2.059 6.387
65 HB3 HIS 9 HB3 HIS 9 9.498 1.891 6.053
66 HD1 HIS 9 HD1 HIS 9 10.619 3.729 4.706
67 HD2 HIS 9 HD2 HIS 9 6.523 4.270 5.128
68 HE1 HIS 9 HE1 HIS 9 10.143 6.004 3.759
69 HE2 HIS 9 HE2 HIS 9 7.706 6.419 4.309
70 H SER 10 H SER 10 6.341 0.145 6.014
71 HA SER 10 HA SER 10 4.365 -0.218 4.012
72 HB2 SER 10 HB2 SER 10 2.869 -0.601 6.044
73 HB3 SER 10 HB3 SER 10 4.277 -1.649 5.893
74 HG SER 10 HG SER 10 3.643 -0.166 7.947
75 H GLY 11 H GLY 11 5.070 2.410 6.219
76 HA2 GLY 11 HA2 GLY 11 2.585 3.679 6.272
77 HA3 GLY 11 HA3 GLY 11 4.127 4.477 6.510
78 H GLN 12 H GLN 12 5.010 3.693 3.754
79 HA GLN 12 HA GLN 12 3.850 6.018 2.468
80 HB2 GLN 12 HB2 GLN 12 5.571 5.766 0.795
81 HB3 GLN 12 HB3 GLN 12 6.292 5.613 2.390
82 HG2 GLN 12 HG2 GLN 12 6.314 3.194 2.160
83 HG3 GLN 12 HG3 GLN 12 5.570 3.334 0.568
84 HE21 GLN 12 HE21 GLN 12 6.787 4.069 -1.150
85 HE22 GLN 12 HE22 GLN 12 8.516 4.146 -1.088
86 H CYS 13 H CYS 13 3.167 2.727 2.557
87 HA CYS 13 HA CYS 13 2.428 2.345 -0.177
88 HB2 CYS 13 HB2 CYS 13 1.687 0.835 2.334
89 HB3 CYS 13 HB3 CYS 13 1.222 0.336 0.715
90 H LEU 14 H LEU 14 0.992 3.802 2.548
91 HA LEU 14 HA LEU 14 -1.713 3.333 2.168
92 HB2 LEU 14 HB2 LEU 14 -0.115 5.461 3.498
93 HB3 LEU 14 HB3 LEU 14 -1.824 5.725 3.280
94 HG LEU 14 HG LEU 14 -2.363 3.786 4.616
95 HD11 LEU 14 HD11 LEU 14 -0.418 2.435 3.883
96 HD12 LEU 14 HD12 LEU 14 -0.708 2.385 5.622
97 HD13 LEU 14 HD13 LEU 14 0.600 3.378 4.971
98 HD21 LEU 14 HD21 LEU 14 -0.275 5.548 5.878
99 HD22 LEU 14 HD22 LEU 14 -1.390 4.510 6.767
100 HD23 LEU 14 HD23 LEU 14 -2.011 5.854 5.808
101 H LYS 15 H LYS 15 0.311 5.923 0.814
102 HA LYS 15 HA LYS 15 -1.810 7.363 -0.288
103 HB2 LYS 15 HB2 LYS 15 0.201 8.530 0.110
104 HB3 LYS 15 HB3 LYS 15 1.158 7.352 -0.774
105 HG2 LYS 15 HG2 LYS 15 1.100 9.004 -2.316
106 HG3 LYS 15 HG3 LYS 15 -0.362 8.127 -2.753
107 HD2 LYS 15 HD2 LYS 15 -0.342 10.504 -0.904
108 HD3 LYS 15 HD3 LYS 15 -0.597 10.634 -2.640
109 HE2 LYS 15 HE2 LYS 15 -2.576 9.189 -2.441
110 HE3 LYS 15 HE3 LYS 15 -2.319 9.094 -0.700
111 HZ1 LYS 15 HZ1 LYS 15 -2.859 11.585 -2.217
112 HZ2 LYS 15 HZ2 LYS 15 -2.642 11.473 -0.546
113 HZ3 LYS 15 HZ3 LYS 15 -3.986 10.748 -1.275
114 HA PRO 16 HA PRO 16 -0.811 5.353 -4.546
115 HB2 PRO 16 HB2 PRO 16 0.690 3.070 -4.566
116 HB3 PRO 16 HB3 PRO 16 1.357 4.684 -4.826
117 HG2 PRO 16 HG2 PRO 16 1.350 3.009 -2.355
118 HG3 PRO 16 HG3 PRO 16 2.635 4.041 -3.008
119 HD2 PRO 16 HD2 PRO 16 1.051 4.807 -0.951
120 HD3 PRO 16 HD3 PRO 16 1.715 5.958 -2.126
121 H CYS 17 H CYS 17 -1.187 3.351 -1.710
122 HA CYS 17 HA CYS 17 -2.781 1.345 -2.985
123 HB2 CYS 17 HB2 CYS 17 -1.558 0.928 -0.884
124 HB3 CYS 17 HB3 CYS 17 -2.583 2.097 -0.061
125 H LYS 18 H LYS 18 -3.379 4.383 -1.357
126 HA LYS 18 HA LYS 18 -6.212 4.152 -1.231
127 HB2 LYS 18 HB2 LYS 18 -4.640 5.710 0.068
128 HB3 LYS 18 HB3 LYS 18 -4.624 6.706 -1.380
129 HG2 LYS 18 HG2 LYS 18 -6.988 7.069 -1.222
130 HG3 LYS 18 HG3 LYS 18 -7.100 5.949 0.138
131 HD2 LYS 18 HD2 LYS 18 -5.509 7.423 1.371
132 HD3 LYS 18 HD3 LYS 18 -5.647 8.586 0.055
133 HE2 LYS 18 HE2 LYS 18 -7.130 9.196 1.875
134 HE3 LYS 18 HE3 LYS 18 -8.062 8.739 0.451
135 HZ1 LYS 18 HZ1 LYS 18 -7.508 6.950 2.752
136 HZ2 LYS 18 HZ2 LYS 18 -8.491 6.600 1.422
137 HZ3 LYS 18 HZ3 LYS 18 -8.949 7.803 2.517
138 H LYS 19 H LYS 19 -3.892 5.456 -3.486
139 HA LYS 19 HA LYS 19 -5.745 6.414 -5.413
140 HB2 LYS 19 HB2 LYS 19 -3.350 7.090 -5.275
141 HB3 LYS 19 HB3 LYS 19 -2.891 5.477 -5.797
142 HG2 LYS 19 HG2 LYS 19 -4.104 5.861 -7.916
143 HG3 LYS 19 HG3 LYS 19 -4.436 7.513 -7.388
144 HD2 LYS 19 HD2 LYS 19 -2.024 7.935 -7.228
145 HD3 LYS 19 HD3 LYS 19 -1.705 6.291 -7.780
146 HE2 LYS 19 HE2 LYS 19 -2.939 6.827 -9.874
147 HE3 LYS 19 HE3 LYS 19 -3.063 8.495 -9.321
148 HZ1 LYS 19 HZ1 LYS 19 -1.207 8.240 -10.818
149 HZ2 LYS 19 HZ2 LYS 19 -0.547 7.014 -9.856
150 HZ3 LYS 19 HZ3 LYS 19 -0.635 8.594 -9.265
151 H ALA 20 H ALA 20 -4.407 3.309 -4.634
152 HA ALA 20 HA ALA 20 -5.122 2.002 -7.075
153 HB1 ALA 20 HB1 ALA 20 -3.323 1.199 -5.532
154 HB2 ALA 20 HB2 ALA 20 -4.503 -0.038 -5.975
155 HB3 ALA 20 HB3 ALA 20 -4.589 0.734 -4.392
156 H GLY 21 H GLY 21 -6.533 2.133 -3.805
157 HA2 GLY 21 HA2 GLY 21 -9.042 2.564 -4.055
158 HA3 GLY 21 HA3 GLY 21 -9.023 1.062 -4.960
159 H MET 22 H MET 22 -6.824 1.007 -2.372
160 HA MET 22 HA MET 22 -8.789 -0.521 -0.811
161 HB2 MET 22 HB2 MET 22 -5.792 -0.820 -0.947
162 HB3 MET 22 HB3 MET 22 -6.803 -1.660 0.218
163 HG2 MET 22 HG2 MET 22 -6.418 -3.194 -1.510
164 HG3 MET 22 HG3 MET 22 -8.066 -2.610 -1.752
165 HE1 MET 22 HE1 MET 22 -8.157 -3.496 -4.209
166 HE2 MET 22 HE2 MET 22 -6.528 -4.158 -4.077
167 HE3 MET 22 HE3 MET 22 -6.955 -3.135 -5.447
168 H ARG 23 H ARG 23 -7.465 -0.682 1.633
169 HA ARG 23 HA ARG 23 -7.984 2.069 2.501
170 HB2 ARG 23 HB2 ARG 23 -8.019 -0.534 4.038
171 HB3 ARG 23 HB3 ARG 23 -8.293 1.040 4.770
172 HG2 ARG 23 HG2 ARG 23 -10.183 1.301 3.068
173 HG3 ARG 23 HG3 ARG 23 -9.994 -0.431 2.797
174 HD2 ARG 23 HD2 ARG 23 -10.429 0.741 5.528
175 HD3 ARG 23 HD3 ARG 23 -11.761 0.274 4.473
176 HE ARG 23 HE ARG 23 -10.200 -1.950 4.562
177 HH11 ARG 23 HH11 ARG 23 -11.692 0.076 6.999
178 HH12 ARG 23 HH12 ARG 23 -11.868 -1.214 8.145
179 HH21 ARG 23 HH21 ARG 23 -10.429 -3.643 6.054
180 HH22 ARG 23 HH22 ARG 23 -11.149 -3.345 7.604
181 H PHE 24 H PHE 24 -5.869 -0.570 3.622
182 HA PHE 24 HA PHE 24 -3.824 1.465 4.234
183 HB2 PHE 24 HB2 PHE 24 -3.476 -0.973 5.745
184 HB3 PHE 24 HB3 PHE 24 -3.655 0.678 6.337
185 HD1 PHE 24 HD1 PHE 24 -5.558 -2.218 5.105
186 HD2 PHE 24 HD2 PHE 24 -5.602 1.277 7.503
187 HE1 PHE 24 HE1 PHE 24 -7.768 -2.853 5.956
188 HE2 PHE 24 HE2 PHE 24 -7.822 0.658 8.373
189 HZ PHE 24 HZ PHE 24 -8.906 -1.413 7.603
190 H GLY 25 H GLY 25 -1.597 0.618 4.207
191 HA2 GLY 25 HA2 GLY 25 -1.305 -1.576 2.259
192 HA3 GLY 25 HA3 GLY 25 -0.441 -0.059 2.058
193 H LYS 26 H LYS 26 0.373 -2.928 2.529
194 HA LYS 26 HA LYS 26 2.144 -2.466 4.841
195 HB2 LYS 26 HB2 LYS 26 0.457 -4.350 5.026
196 HB3 LYS 26 HB3 LYS 26 1.287 -5.123 3.685
197 HG2 LYS 26 HG2 LYS 26 3.342 -5.208 5.025
198 HG3 LYS 26 HG3 LYS 26 2.462 -4.497 6.381
199 HD2 LYS 26 HD2 LYS 26 0.878 -6.412 6.272
200 HD3 LYS 26 HD3 LYS 26 1.907 -7.139 5.038
201 HE2 LYS 26 HE2 LYS 26 3.770 -7.188 6.617
202 HE3 LYS 26 HE3 LYS 26 2.749 -6.447 7.849
203 HZ1 LYS 26 HZ1 LYS 26 2.905 -8.851 8.112
204 HZ2 LYS 26 HZ2 LYS 26 2.250 -9.079 6.572
205 HZ3 LYS 26 HZ3 LYS 26 1.317 -8.374 7.792
206 H CYS 27 H CYS 27 4.320 -3.419 4.589
207 HA CYS 27 HA CYS 27 5.189 -3.006 1.826
208 HB2 CYS 27 HB2 CYS 27 6.174 -1.663 3.742
209 HB3 CYS 27 HB3 CYS 27 6.946 -3.153 4.273
210 H ILE 28 H ILE 28 5.488 -4.736 0.629
211 HA ILE 28 HA ILE 28 6.539 -7.172 1.875
212 HB ILE 28 HB ILE 28 4.586 -6.718 -0.373
213 HG12 ILE 28 HG12 ILE 28 4.597 -8.167 2.227
214 HG13 ILE 28 HG13 ILE 28 3.490 -6.927 1.666
215 HG21 ILE 28 HG21 ILE 28 6.008 -8.270 -1.379
216 HG22 ILE 28 HG22 ILE 28 4.649 -9.201 -0.765
217 HG23 ILE 28 HG23 ILE 28 6.189 -9.209 0.096
218 HD11 ILE 28 HD11 ILE 28 2.655 -8.592 -0.016
219 HD12 ILE 28 HD12 ILE 28 2.296 -8.963 1.669
220 HD13 ILE 28 HD13 ILE 28 3.599 -9.811 0.838
221 H ASN 29 H ASN 29 7.906 -8.456 0.241
222 HA ASN 29 HA ASN 29 10.252 -7.200 -0.168
223 HB2 ASN 29 HB2 ASN 29 10.830 -8.965 -1.828
224 HB3 ASN 29 HB3 ASN 29 10.098 -9.587 -0.355
225 HD21 ASN 29 HD21 ASN 29 9.714 -9.101 -3.768
226 HD22 ASN 29 HD22 ASN 29 8.307 -10.090 -3.950
227 H GLY 30 H GLY 30 7.700 -7.373 -2.636
228 HA2 GLY 30 HA2 GLY 30 8.923 -4.994 -3.838
229 HA3 GLY 30 HA3 GLY 30 8.556 -6.368 -4.870
230 H LYS 31 H LYS 31 6.378 -5.922 -2.266
231 HA LYS 31 HA LYS 31 4.449 -4.719 -4.132
232 HB2 LYS 31 HB2 LYS 31 4.002 -7.015 -2.222
233 HB3 LYS 31 HB3 LYS 31 2.738 -6.214 -3.140
234 HG2 LYS 31 HG2 LYS 31 3.406 -7.149 -5.131
235 HG3 LYS 31 HG3 LYS 31 5.060 -7.416 -4.570
236 HD2 LYS 31 HD2 LYS 31 4.513 -9.327 -3.433
237 HD3 LYS 31 HD3 LYS 31 2.845 -8.824 -3.180
238 HE2 LYS 31 HE2 LYS 31 4.035 -9.707 -5.809
239 HE3 LYS 31 HE3 LYS 31 3.037 -10.709 -4.757
240 HZ1 LYS 31 HZ1 LYS 31 1.706 -9.783 -6.514
241 HZ2 LYS 31 HZ2 LYS 31 2.190 -8.213 -6.125
242 HZ3 LYS 31 HZ3 LYS 31 1.231 -9.093 -5.046
243 H CYS 32 H CYS 32 3.277 -3.041 -3.250
244 HA CYS 32 HA CYS 32 3.196 -2.849 -0.343
245 HB2 CYS 32 HB2 CYS 32 2.357 -1.018 -2.571
246 HB3 CYS 32 HB3 CYS 32 1.535 -0.877 -1.013
247 H ASP 33 H ASP 33 2.186 -4.833 0.004
248 HA ASP 33 HA ASP 33 -0.326 -5.439 -1.242
249 HB2 ASP 33 HB2 ASP 33 1.240 -7.211 -0.567
250 HB3 ASP 33 HB3 ASP 33 1.018 -6.761 1.120
251 H CYS 34 H CYS 34 -2.316 -5.084 -0.512
252 HA CYS 34 HA CYS 34 -2.472 -3.293 1.809
253 HB2 CYS 34 HB2 CYS 34 -4.157 -3.450 -0.689
254 HB3 CYS 34 HB3 CYS 34 -4.477 -2.369 0.659
255 H THR 35 H THR 35 -4.645 -3.185 2.830
256 HA THR 35 HA THR 35 -6.158 -5.689 2.578
257 HB THR 35 HB THR 35 -5.962 -3.912 5.022
258 HG1 THR 35 HG1 THR 35 -4.445 -5.966 4.159
259 HG21 THR 35 HG21 THR 35 -8.182 -5.083 4.536
260 HG22 THR 35 HG22 THR 35 -7.439 -5.401 6.108
261 HG23 THR 35 HG23 THR 35 -7.311 -6.595 4.817
262 HA PRO 36 HA PRO 36 -9.006 -2.743 0.945
263 HB2 PRO 36 HB2 PRO 36 -10.871 -4.455 0.105
264 HB3 PRO 36 HB3 PRO 36 -9.276 -4.409 -0.647
265 HG2 PRO 36 HG2 PRO 36 -10.363 -6.326 1.374
266 HG3 PRO 36 HG3 PRO 36 -9.369 -6.650 -0.056
267 HD2 PRO 36 HD2 PRO 36 -8.399 -6.443 2.522
268 HD3 PRO 36 HD3 PRO 36 -7.428 -6.202 1.059
269 H LYS 37 H LYS 37 -11.739 -3.117 0.995
270 HA LYS 37 HA LYS 37 -12.284 -2.222 3.662
271 HB2 LYS 37 HB2 LYS 37 -14.495 -1.668 2.899
272 HB3 LYS 37 HB3 LYS 37 -13.331 -1.134 1.707
273 HG2 LYS 37 HG2 LYS 37 -14.910 -3.680 1.456
274 HG3 LYS 37 HG3 LYS 37 -15.441 -2.132 0.806
275 HD2 LYS 37 HD2 LYS 37 -13.216 -2.075 -0.430
276 HD3 LYS 37 HD3 LYS 37 -13.052 -3.775 0.012
277 HE2 LYS 37 HE2 LYS 37 -13.994 -3.698 -2.169
278 HE3 LYS 37 HE3 LYS 37 -15.280 -4.171 -1.063
279 HZ1 LYS 37 HZ1 LYS 37 -14.845 -1.433 -2.128
280 HZ2 LYS 37 HZ2 LYS 37 -16.088 -1.894 -1.079
281 HZ3 LYS 37 HZ3 LYS 37 -16.036 -2.514 -2.652
Start of MODEL 10
1 H1 VAL 1 H1 VAL 1 -6.880 -8.423 -3.643
2 H2 VAL 1 H2 VAL 1 -5.629 -8.865 -2.596
3 H3 VAL 1 H3 VAL 1 -5.423 -9.014 -4.263
4 HA VAL 1 HA VAL 1 -5.573 -6.637 -4.534
5 HB VAL 1 HB VAL 1 -5.373 -5.216 -2.480
6 HG11 VAL 1 HG11 VAL 1 -7.728 -5.155 -2.012
7 HG12 VAL 1 HG12 VAL 1 -7.944 -6.771 -2.686
8 HG13 VAL 1 HG13 VAL 1 -7.477 -5.430 -3.734
9 HG21 VAL 1 HG21 VAL 1 -4.700 -6.947 -0.907
10 HG22 VAL 1 HG22 VAL 1 -6.272 -7.729 -1.080
11 HG23 VAL 1 HG23 VAL 1 -6.159 -6.126 -0.354
12 H GLY 2 H GLY 2 -3.783 -5.073 -3.680
13 HA2 GLY 2 HA2 GLY 2 -1.509 -5.063 -2.702
14 HA3 GLY 2 HA3 GLY 2 -1.341 -6.697 -3.329
15 H ILE 3 H ILE 3 -0.568 -3.525 -3.905
16 HA ILE 3 HA ILE 3 -0.864 -3.716 -6.815
17 HB ILE 3 HB ILE 3 -0.817 -1.425 -6.933
18 HG12 ILE 3 HG12 ILE 3 0.835 -1.433 -4.400
19 HG13 ILE 3 HG13 ILE 3 1.387 -1.053 -6.023
20 HG21 ILE 3 HG21 ILE 3 -2.102 -0.483 -5.061
21 HG22 ILE 3 HG22 ILE 3 -1.747 -1.922 -4.107
22 HG23 ILE 3 HG23 ILE 3 -2.722 -2.052 -5.571
23 HD11 ILE 3 HD11 ILE 3 -0.419 0.562 -4.270
24 HD12 ILE 3 HD12 ILE 3 -0.172 0.908 -5.980
25 HD13 ILE 3 HD13 ILE 3 1.187 0.984 -4.856
26 H ASN 4 H ASN 4 0.986 -2.512 -7.991
27 HA ASN 4 HA ASN 4 3.509 -3.740 -7.203
28 HB2 ASN 4 HB2 ASN 4 4.174 -3.207 -9.549
29 HB3 ASN 4 HB3 ASN 4 2.818 -4.310 -9.443
30 HD21 ASN 4 HD21 ASN 4 3.769 -2.439 -11.549
31 HD22 ASN 4 HD22 ASN 4 2.390 -1.478 -11.952
32 H VAL 5 H VAL 5 4.880 -2.448 -6.132
33 HA VAL 5 HA VAL 5 5.342 0.262 -6.943
34 HB VAL 5 HB VAL 5 3.139 0.229 -5.585
35 HG11 VAL 5 HG11 VAL 5 3.396 0.400 -3.180
36 HG12 VAL 5 HG12 VAL 5 5.100 -0.021 -3.323
37 HG13 VAL 5 HG13 VAL 5 3.859 -1.190 -3.778
38 HG21 VAL 5 HG21 VAL 5 3.543 2.403 -4.674
39 HG22 VAL 5 HG22 VAL 5 4.416 2.263 -6.200
40 HG23 VAL 5 HG23 VAL 5 5.282 2.134 -4.671
41 H ASP 6 H ASP 6 6.627 1.321 -4.871
42 HA ASP 6 HA ASP 6 8.512 -0.717 -3.914
43 HB2 ASP 6 HB2 ASP 6 9.249 1.842 -5.300
44 HB3 ASP 6 HB3 ASP 6 10.369 0.927 -4.308
45 H CYS 7 H CYS 7 8.052 -0.627 -1.882
46 HA CYS 7 HA CYS 7 7.731 1.915 -0.493
47 HB2 CYS 7 HB2 CYS 7 7.153 0.404 1.460
48 HB3 CYS 7 HB3 CYS 7 6.046 0.354 0.100
49 H LYS 8 H LYS 8 9.181 2.718 0.920
50 HA LYS 8 HA LYS 8 11.530 1.157 1.650
51 HB2 LYS 8 HB2 LYS 8 11.766 3.575 1.208
52 HB3 LYS 8 HB3 LYS 8 10.608 3.924 2.478
53 HG2 LYS 8 HG2 LYS 8 12.152 2.905 4.109
54 HG3 LYS 8 HG3 LYS 8 13.339 2.716 2.817
55 HD2 LYS 8 HD2 LYS 8 12.148 5.332 3.737
56 HD3 LYS 8 HD3 LYS 8 13.755 4.734 4.154
57 HE2 LYS 8 HE2 LYS 8 14.382 4.763 1.793
58 HE3 LYS 8 HE3 LYS 8 12.772 5.338 1.365
59 HZ1 LYS 8 HZ1 LYS 8 14.422 7.125 1.467
60 HZ2 LYS 8 HZ2 LYS 8 14.681 6.799 3.105
61 HZ3 LYS 8 HZ3 LYS 8 13.173 7.355 2.582
62 H HIS 9 H HIS 9 8.381 1.750 2.629
63 HA HIS 9 HA HIS 9 8.405 0.133 4.940
64 HB2 HIS 9 HB2 HIS 9 7.744 2.032 6.547
65 HB3 HIS 9 HB3 HIS 9 9.454 1.881 6.162
66 HD1 HIS 9 HD1 HIS 9 10.559 3.800 4.922
67 HD2 HIS 9 HD2 HIS 9 6.470 4.317 5.419
68 HE1 HIS 9 HE1 HIS 9 10.075 6.129 4.126
69 HE2 HIS 9 HE2 HIS 9 7.631 6.492 4.646
70 H SER 10 H SER 10 6.246 -0.023 5.876
71 HA SER 10 HA SER 10 4.301 0.027 3.816
72 HB2 SER 10 HB2 SER 10 2.774 -0.721 5.750
73 HB3 SER 10 HB3 SER 10 4.134 -1.760 5.320
74 HG SER 10 HG SER 10 4.798 -1.524 7.286
75 H GLY 11 H GLY 11 5.112 2.302 6.286
76 HA2 GLY 11 HA2 GLY 11 2.656 3.598 6.632
77 HA3 GLY 11 HA3 GLY 11 4.228 4.347 6.842
78 H GLN 12 H GLN 12 5.046 3.935 4.083
79 HA GLN 12 HA GLN 12 3.728 6.273 2.983
80 HB2 GLN 12 HB2 GLN 12 5.494 6.319 1.367
81 HB3 GLN 12 HB3 GLN 12 6.228 5.946 2.921
82 HG2 GLN 12 HG2 GLN 12 6.272 3.572 2.319
83 HG3 GLN 12 HG3 GLN 12 5.564 3.965 0.757
84 HE21 GLN 12 HE21 GLN 12 6.814 4.994 -0.789
85 HE22 GLN 12 HE22 GLN 12 8.541 5.069 -0.676
86 H CYS 13 H CYS 13 3.050 3.070 2.979
87 HA CYS 13 HA CYS 13 2.641 2.695 0.138
88 HB2 CYS 13 HB2 CYS 13 3.188 0.977 2.210
89 HB3 CYS 13 HB3 CYS 13 1.465 0.713 1.962
90 H LEU 14 H LEU 14 0.991 4.036 2.694
91 HA LEU 14 HA LEU 14 -1.683 3.364 2.195
92 HB2 LEU 14 HB2 LEU 14 -0.544 5.954 3.232
93 HB3 LEU 14 HB3 LEU 14 -2.197 5.422 3.409
94 HG LEU 14 HG LEU 14 0.250 4.215 4.690
95 HD11 LEU 14 HD11 LEU 14 -0.528 6.231 5.764
96 HD12 LEU 14 HD12 LEU 14 -0.888 4.830 6.775
97 HD13 LEU 14 HD13 LEU 14 -2.170 5.593 5.834
98 HD21 LEU 14 HD21 LEU 14 -1.166 2.390 4.090
99 HD22 LEU 14 HD22 LEU 14 -2.597 3.237 4.682
100 HD23 LEU 14 HD23 LEU 14 -1.366 2.689 5.818
101 H LYS 15 H LYS 15 0.200 6.163 1.156
102 HA LYS 15 HA LYS 15 -1.657 7.538 -0.278
103 HB2 LYS 15 HB2 LYS 15 0.750 8.131 0.349
104 HB3 LYS 15 HB3 LYS 15 1.208 7.337 -1.149
105 HG2 LYS 15 HG2 LYS 15 -0.102 8.888 -2.429
106 HG3 LYS 15 HG3 LYS 15 -0.725 9.610 -0.946
107 HD2 LYS 15 HD2 LYS 15 1.033 11.003 -1.888
108 HD3 LYS 15 HD3 LYS 15 1.543 10.325 -0.344
109 HE2 LYS 15 HE2 LYS 15 3.368 10.190 -1.904
110 HE3 LYS 15 HE3 LYS 15 2.776 8.564 -1.569
111 HZ1 LYS 15 HZ1 LYS 15 1.522 8.663 -3.659
112 HZ2 LYS 15 HZ2 LYS 15 3.184 8.832 -3.909
113 HZ3 LYS 15 HZ3 LYS 15 2.177 10.188 -3.983
114 HA PRO 16 HA PRO 16 -0.662 5.265 -4.372
115 HB2 PRO 16 HB2 PRO 16 0.743 2.953 -4.340
116 HB3 PRO 16 HB3 PRO 16 1.513 4.533 -4.508
117 HG2 PRO 16 HG2 PRO 16 1.253 2.789 -2.099
118 HG3 PRO 16 HG3 PRO 16 2.634 3.765 -2.636
119 HD2 PRO 16 HD2 PRO 16 0.917 4.564 -0.667
120 HD3 PRO 16 HD3 PRO 16 1.801 5.690 -1.707
121 H CYS 17 H CYS 17 -1.159 3.322 -1.506
122 HA CYS 17 HA CYS 17 -2.720 1.295 -2.744
123 HB2 CYS 17 HB2 CYS 17 -1.607 1.076 -0.518
124 HB3 CYS 17 HB3 CYS 17 -2.787 2.205 0.139
125 H LYS 18 H LYS 18 -3.416 4.418 -1.316
126 HA LYS 18 HA LYS 18 -6.257 4.167 -1.428
127 HB2 LYS 18 HB2 LYS 18 -4.377 6.492 -1.108
128 HB3 LYS 18 HB3 LYS 18 -6.109 6.736 -1.252
129 HG2 LYS 18 HG2 LYS 18 -4.789 5.034 0.845
130 HG3 LYS 18 HG3 LYS 18 -5.291 6.708 1.079
131 HD2 LYS 18 HD2 LYS 18 -7.157 4.464 0.303
132 HD3 LYS 18 HD3 LYS 18 -6.897 5.003 1.959
133 HE2 LYS 18 HE2 LYS 18 -8.800 6.167 1.388
134 HE3 LYS 18 HE3 LYS 18 -7.544 7.343 1.014
135 HZ1 LYS 18 HZ1 LYS 18 -7.715 6.765 -1.310
136 HZ2 LYS 18 HZ2 LYS 18 -9.240 7.177 -0.724
137 HZ3 LYS 18 HZ3 LYS 18 -8.845 5.554 -0.974
138 H LYS 19 H LYS 19 -3.769 5.303 -3.598
139 HA LYS 19 HA LYS 19 -5.474 6.353 -5.603
140 HB2 LYS 19 HB2 LYS 19 -3.121 6.910 -5.598
141 HB3 LYS 19 HB3 LYS 19 -2.671 5.217 -5.722
142 HG2 LYS 19 HG2 LYS 19 -2.357 6.300 -7.844
143 HG3 LYS 19 HG3 LYS 19 -3.676 5.138 -7.968
144 HD2 LYS 19 HD2 LYS 19 -5.292 6.978 -7.706
145 HD3 LYS 19 HD3 LYS 19 -3.953 8.126 -7.643
146 HE2 LYS 19 HE2 LYS 19 -3.263 7.415 -9.894
147 HE3 LYS 19 HE3 LYS 19 -4.634 6.308 -9.952
148 HZ1 LYS 19 HZ1 LYS 19 -5.127 8.348 -11.113
149 HZ2 LYS 19 HZ2 LYS 19 -4.788 9.265 -9.736
150 HZ3 LYS 19 HZ3 LYS 19 -6.118 8.218 -9.748
151 H ALA 20 H ALA 20 -4.391 3.162 -4.747
152 HA ALA 20 HA ALA 20 -5.279 1.903 -7.168
153 HB1 ALA 20 HB1 ALA 20 -3.429 1.020 -5.793
154 HB2 ALA 20 HB2 ALA 20 -4.696 -0.168 -6.095
155 HB3 ALA 20 HB3 ALA 20 -4.591 0.633 -4.527
156 H GLY 21 H GLY 21 -6.505 2.124 -3.829
157 HA2 GLY 21 HA2 GLY 21 -9.010 2.661 -3.997
158 HA3 GLY 21 HA3 GLY 21 -9.088 1.129 -4.846
159 H MET 22 H MET 22 -6.789 0.957 -2.372
160 HA MET 22 HA MET 22 -8.788 -0.340 -0.664
161 HB2 MET 22 HB2 MET 22 -5.836 -0.834 -0.948
162 HB3 MET 22 HB3 MET 22 -6.774 -1.472 0.393
163 HG2 MET 22 HG2 MET 22 -6.651 -3.203 -1.182
164 HG3 MET 22 HG3 MET 22 -8.277 -2.535 -1.314
165 HE1 MET 22 HE1 MET 22 -4.960 -0.930 -2.730
166 HE2 MET 22 HE2 MET 22 -4.900 -1.659 -4.333
167 HE3 MET 22 HE3 MET 22 -4.700 -2.665 -2.899
168 H ARG 23 H ARG 23 -7.710 -0.446 1.758
169 HA ARG 23 HA ARG 23 -7.767 2.378 2.485
170 HB2 ARG 23 HB2 ARG 23 -8.097 -0.140 4.113
171 HB3 ARG 23 HB3 ARG 23 -8.062 1.464 4.829
172 HG2 ARG 23 HG2 ARG 23 -9.970 2.029 3.229
173 HG3 ARG 23 HG3 ARG 23 -10.094 0.288 2.970
174 HD2 ARG 23 HD2 ARG 23 -10.214 1.583 5.684
175 HD3 ARG 23 HD3 ARG 23 -11.639 1.226 4.713
176 HE ARG 23 HE ARG 23 -10.174 -1.130 4.929
177 HH11 ARG 23 HH11 ARG 23 -11.903 1.074 7.026
178 HH12 ARG 23 HH12 ARG 23 -12.341 -0.155 8.171
179 HH21 ARG 23 HH21 ARG 23 -10.749 -2.753 6.438
180 HH22 ARG 23 HH22 ARG 23 -11.681 -2.325 7.841
181 H PHE 24 H PHE 24 -5.899 -0.449 3.580
182 HA PHE 24 HA PHE 24 -3.674 1.393 4.171
183 HB2 PHE 24 HB2 PHE 24 -3.463 -1.074 5.638
184 HB3 PHE 24 HB3 PHE 24 -3.545 0.572 6.257
185 HD1 PHE 24 HD1 PHE 24 -5.711 -2.081 4.870
186 HD2 PHE 24 HD2 PHE 24 -5.354 1.138 7.610
187 HE1 PHE 24 HE1 PHE 24 -7.938 -2.595 5.733
188 HE2 PHE 24 HE2 PHE 24 -7.592 0.632 8.497
189 HZ PHE 24 HZ PHE 24 -8.892 -1.240 7.565
190 H GLY 25 H GLY 25 -1.540 0.446 4.050
191 HA2 GLY 25 HA2 GLY 25 -1.399 -1.762 2.101
192 HA3 GLY 25 HA3 GLY 25 -0.462 -0.293 1.888
193 H LYS 26 H LYS 26 0.604 -2.912 2.055
194 HA LYS 26 HA LYS 26 2.249 -2.607 4.469
195 HB2 LYS 26 HB2 LYS 26 0.672 -4.532 4.696
196 HB3 LYS 26 HB3 LYS 26 1.383 -5.231 3.251
197 HG2 LYS 26 HG2 LYS 26 3.512 -5.466 4.350
198 HG3 LYS 26 HG3 LYS 26 2.885 -4.659 5.788
199 HD2 LYS 26 HD2 LYS 26 1.298 -6.460 6.135
200 HD3 LYS 26 HD3 LYS 26 1.849 -7.256 4.660
201 HE2 LYS 26 HE2 LYS 26 2.809 -8.237 6.722
202 HE3 LYS 26 HE3 LYS 26 4.028 -7.618 5.609
203 HZ1 LYS 26 HZ1 LYS 26 3.019 -6.157 7.992
204 HZ2 LYS 26 HZ2 LYS 26 4.269 -5.662 6.966
205 HZ3 LYS 26 HZ3 LYS 26 4.466 -7.030 7.937
206 H CYS 27 H CYS 27 4.425 -3.448 4.208
207 HA CYS 27 HA CYS 27 5.332 -2.802 1.515
208 HB2 CYS 27 HB2 CYS 27 6.268 -1.618 3.535
209 HB3 CYS 27 HB3 CYS 27 7.016 -3.144 3.998
210 H ILE 28 H ILE 28 5.446 -4.500 0.202
211 HA ILE 28 HA ILE 28 6.811 -6.903 1.178
212 HB ILE 28 HB ILE 28 4.690 -6.452 -0.912
213 HG12 ILE 28 HG12 ILE 28 4.991 -8.115 1.550
214 HG13 ILE 28 HG13 ILE 28 3.765 -6.919 1.164
215 HG21 ILE 28 HG21 ILE 28 4.932 -8.701 -1.739
216 HG22 ILE 28 HG22 ILE 28 6.305 -8.985 -0.672
217 HG23 ILE 28 HG23 ILE 28 6.440 -7.820 -1.990
218 HD11 ILE 28 HD11 ILE 28 2.933 -8.460 -0.606
219 HD12 ILE 28 HD12 ILE 28 2.744 -9.053 1.046
220 HD13 ILE 28 HD13 ILE 28 4.037 -9.682 0.024
221 H ASN 29 H ASN 29 8.193 -7.934 -0.629
222 HA ASN 29 HA ASN 29 10.349 -6.351 -1.106
223 HB2 ASN 29 HB2 ASN 29 11.165 -7.988 -2.678
224 HB3 ASN 29 HB3 ASN 29 10.317 -8.819 -1.381
225 HD21 ASN 29 HD21 ASN 29 8.367 -9.850 -1.824
226 HD22 ASN 29 HD22 ASN 29 7.859 -10.195 -3.442
227 H GLY 30 H GLY 30 7.591 -6.731 -3.297
228 HA2 GLY 30 HA2 GLY 30 8.315 -4.155 -4.454
229 HA3 GLY 30 HA3 GLY 30 8.186 -5.512 -5.565
230 H LYS 31 H LYS 31 6.090 -5.504 -2.803
231 HA LYS 31 HA LYS 31 3.885 -4.704 -4.580
232 HB2 LYS 31 HB2 LYS 31 3.940 -7.016 -2.642
233 HB3 LYS 31 HB3 LYS 31 2.474 -6.398 -3.379
234 HG2 LYS 31 HG2 LYS 31 3.314 -6.978 -5.581
235 HG3 LYS 31 HG3 LYS 31 4.819 -7.554 -4.863
236 HD2 LYS 31 HD2 LYS 31 3.584 -9.246 -3.615
237 HD3 LYS 31 HD3 LYS 31 2.070 -8.663 -4.305
238 HE2 LYS 31 HE2 LYS 31 2.804 -10.639 -5.490
239 HE3 LYS 31 HE3 LYS 31 2.897 -9.236 -6.550
240 HZ1 LYS 31 HZ1 LYS 31 5.280 -9.117 -6.083
241 HZ2 LYS 31 HZ2 LYS 31 4.853 -10.588 -6.790
242 HZ3 LYS 31 HZ3 LYS 31 5.169 -10.511 -5.132
243 H CYS 32 H CYS 32 2.273 -3.489 -3.674
244 HA CYS 32 HA CYS 32 2.561 -2.801 -0.839
245 HB2 CYS 32 HB2 CYS 32 2.046 -1.051 -2.715
246 HB3 CYS 32 HB3 CYS 32 0.418 -1.714 -2.648
247 H ASP 33 H ASP 33 1.941 -4.786 0.015
248 HA ASP 33 HA ASP 33 -0.446 -6.095 -0.867
249 HB2 ASP 33 HB2 ASP 33 1.334 -7.454 -0.067
250 HB3 ASP 33 HB3 ASP 33 1.445 -6.565 1.443
251 H CYS 34 H CYS 34 -2.211 -4.946 -0.594
252 HA CYS 34 HA CYS 34 -2.554 -3.271 1.749
253 HB2 CYS 34 HB2 CYS 34 -3.982 -3.488 -0.887
254 HB3 CYS 34 HB3 CYS 34 -4.563 -2.463 0.417
255 H THR 35 H THR 35 -4.821 -2.985 2.539
256 HA THR 35 HA THR 35 -6.511 -5.359 2.284
257 HB THR 35 HB THR 35 -6.102 -3.833 4.871
258 HG1 THR 35 HG1 THR 35 -4.847 -6.072 3.796
259 HG21 THR 35 HG21 THR 35 -8.357 -4.911 4.348
260 HG22 THR 35 HG22 THR 35 -7.575 -5.385 5.862
261 HG23 THR 35 HG23 THR 35 -7.512 -6.459 4.465
262 HA PRO 36 HA PRO 36 -9.172 -1.944 1.190
263 HB2 PRO 36 HB2 PRO 36 -11.304 -3.356 0.425
264 HB3 PRO 36 HB3 PRO 36 -9.818 -3.368 -0.523
265 HG2 PRO 36 HG2 PRO 36 -10.835 -5.398 1.427
266 HG3 PRO 36 HG3 PRO 36 -10.098 -5.650 -0.165
267 HD2 PRO 36 HD2 PRO 36 -8.735 -5.877 2.200
268 HD3 PRO 36 HD3 PRO 36 -7.968 -5.462 0.663
269 H LYS 37 H LYS 37 -11.921 -2.044 1.515
270 HA LYS 37 HA LYS 37 -12.144 -1.762 4.384
271 HB2 LYS 37 HB2 LYS 37 -14.223 -0.633 4.031
272 HB3 LYS 37 HB3 LYS 37 -13.066 -0.009 2.874
273 HG2 LYS 37 HG2 LYS 37 -15.189 -2.042 2.232
274 HG3 LYS 37 HG3 LYS 37 -15.352 -0.308 1.977
275 HD2 LYS 37 HD2 LYS 37 -13.376 -0.406 0.474
276 HD3 LYS 37 HD3 LYS 37 -13.368 -2.161 0.661
277 HE2 LYS 37 HE2 LYS 37 -15.601 -0.494 -0.490
278 HE3 LYS 37 HE3 LYS 37 -14.492 -1.519 -1.396
279 HZ1 LYS 37 HZ1 LYS 37 -16.423 -2.474 0.646
280 HZ2 LYS 37 HZ2 LYS 37 -15.385 -3.444 -0.269
281 HZ3 LYS 37 HZ3 LYS 37 -16.628 -2.592 -1.027
Start of MODEL 11
1 H1 VAL 1 H1 VAL 1 -5.599 -9.001 -4.589
2 H2 VAL 1 H2 VAL 1 -6.954 -8.459 -3.738
3 H3 VAL 1 H3 VAL 1 -5.599 -9.027 -2.901
4 HA VAL 1 HA VAL 1 -5.700 -6.609 -4.599
5 HB VAL 1 HB VAL 1 -5.261 -5.401 -2.453
6 HG11 VAL 1 HG11 VAL 1 -7.545 -5.366 -1.727
7 HG12 VAL 1 HG12 VAL 1 -7.854 -6.936 -2.468
8 HG13 VAL 1 HG13 VAL 1 -7.508 -5.532 -3.479
9 HG21 VAL 1 HG21 VAL 1 -4.408 -7.266 -1.146
10 HG22 VAL 1 HG22 VAL 1 -5.983 -8.057 -1.217
11 HG23 VAL 1 HG23 VAL 1 -5.799 -6.535 -0.345
12 H GLY 2 H GLY 2 -3.758 -5.180 -3.636
13 HA2 GLY 2 HA2 GLY 2 -1.438 -5.282 -2.912
14 HA3 GLY 2 HA3 GLY 2 -1.356 -6.891 -3.614
15 H ILE 3 H ILE 3 -0.402 -3.783 -4.082
16 HA ILE 3 HA ILE 3 -0.700 -3.904 -7.010
17 HB ILE 3 HB ILE 3 -0.676 -1.610 -7.094
18 HG12 ILE 3 HG12 ILE 3 0.961 -1.651 -4.553
19 HG13 ILE 3 HG13 ILE 3 1.507 -1.217 -6.165
20 HG21 ILE 3 HG21 ILE 3 -1.990 -0.692 -5.237
21 HG22 ILE 3 HG22 ILE 3 -1.626 -2.126 -4.278
22 HG23 ILE 3 HG23 ILE 3 -2.588 -2.270 -5.748
23 HD11 ILE 3 HD11 ILE 3 -0.352 0.319 -4.390
24 HD12 ILE 3 HD12 ILE 3 -0.050 0.728 -6.077
25 HD13 ILE 3 HD13 ILE 3 1.267 0.777 -4.905
26 H ASN 4 H ASN 4 1.243 -2.710 -8.113
27 HA ASN 4 HA ASN 4 3.714 -3.939 -7.078
28 HB2 ASN 4 HB2 ASN 4 2.991 -4.723 -9.330
29 HB3 ASN 4 HB3 ASN 4 3.082 -3.064 -9.914
30 HD21 ASN 4 HD21 ASN 4 5.100 -2.105 -10.214
31 HD22 ASN 4 HD22 ASN 4 6.558 -3.038 -10.262
32 H VAL 5 H VAL 5 4.907 -2.480 -6.012
33 HA VAL 5 HA VAL 5 5.309 0.180 -7.081
34 HB VAL 5 HB VAL 5 3.056 0.045 -5.765
35 HG11 VAL 5 HG11 VAL 5 3.261 0.459 -3.381
36 HG12 VAL 5 HG12 VAL 5 5.001 0.212 -3.480
37 HG13 VAL 5 HG13 VAL 5 3.898 -1.119 -3.827
38 HG21 VAL 5 HG21 VAL 5 3.250 2.333 -5.066
39 HG22 VAL 5 HG22 VAL 5 4.136 2.122 -6.576
40 HG23 VAL 5 HG23 VAL 5 5.007 2.226 -5.047
41 H ASP 6 H ASP 6 6.411 1.484 -5.078
42 HA ASP 6 HA ASP 6 8.424 -0.324 -3.921
43 HB2 ASP 6 HB2 ASP 6 8.906 2.492 -4.893
44 HB3 ASP 6 HB3 ASP 6 10.091 1.431 -4.151
45 H CYS 7 H CYS 7 7.880 -0.400 -1.866
46 HA CYS 7 HA CYS 7 6.948 1.985 -0.474
47 HB2 CYS 7 HB2 CYS 7 6.996 0.180 1.475
48 HB3 CYS 7 HB3 CYS 7 5.661 0.294 0.348
49 H LYS 8 H LYS 8 7.952 2.875 1.255
50 HA LYS 8 HA LYS 8 10.762 2.224 1.642
51 HB2 LYS 8 HB2 LYS 8 9.078 4.389 2.924
52 HB3 LYS 8 HB3 LYS 8 10.828 4.236 3.029
53 HG2 LYS 8 HG2 LYS 8 11.052 4.650 0.666
54 HG3 LYS 8 HG3 LYS 8 9.300 4.668 0.475
55 HD2 LYS 8 HD2 LYS 8 10.102 6.934 0.506
56 HD3 LYS 8 HD3 LYS 8 9.201 6.627 1.990
57 HE2 LYS 8 HE2 LYS 8 11.260 6.340 3.223
58 HE3 LYS 8 HE3 LYS 8 12.203 6.514 1.743
59 HZ1 LYS 8 HZ1 LYS 8 12.176 8.564 3.011
60 HZ2 LYS 8 HZ2 LYS 8 10.486 8.611 2.961
61 HZ3 LYS 8 HZ3 LYS 8 11.377 8.780 1.536
62 H HIS 9 H HIS 9 7.647 2.030 3.209
63 HA HIS 9 HA HIS 9 8.719 0.122 5.146
64 HB2 HIS 9 HB2 HIS 9 7.030 2.437 6.106
65 HB3 HIS 9 HB3 HIS 9 7.807 1.206 7.089
66 HD1 HIS 9 HD1 HIS 9 8.420 4.399 5.322
67 HD2 HIS 9 HD2 HIS 9 10.583 1.618 7.519
68 HE1 HIS 9 HE1 HIS 9 10.656 5.420 5.660
69 HE2 HIS 9 HE2 HIS 9 11.996 3.708 6.935
70 H SER 10 H SER 10 6.947 -0.946 6.363
71 HA SER 10 HA SER 10 4.663 -1.465 4.662
72 HB2 SER 10 HB2 SER 10 5.777 -3.320 5.834
73 HB3 SER 10 HB3 SER 10 5.415 -2.571 7.385
74 HG SER 10 HG SER 10 3.229 -2.875 6.998
75 H GLY 11 H GLY 11 4.161 0.944 4.982
76 HA2 GLY 11 HA2 GLY 11 1.840 1.169 6.558
77 HA3 GLY 11 HA3 GLY 11 3.172 1.952 7.396
78 H GLN 12 H GLN 12 4.570 3.017 5.242
79 HA GLN 12 HA GLN 12 2.901 5.294 4.699
80 HB2 GLN 12 HB2 GLN 12 4.954 6.189 3.577
81 HB3 GLN 12 HB3 GLN 12 5.149 5.767 5.268
82 HG2 GLN 12 HG2 GLN 12 7.092 5.014 4.209
83 HG3 GLN 12 HG3 GLN 12 6.114 3.577 4.475
84 HE21 GLN 12 HE21 GLN 12 7.065 5.942 2.063
85 HE22 GLN 12 HE22 GLN 12 6.836 4.904 0.696
86 H CYS 13 H CYS 13 2.735 2.493 3.319
87 HA CYS 13 HA CYS 13 2.936 3.247 0.519
88 HB2 CYS 13 HB2 CYS 13 3.493 0.919 1.483
89 HB3 CYS 13 HB3 CYS 13 1.753 0.678 1.574
90 H LEU 14 H LEU 14 1.014 4.250 2.667
91 HA LEU 14 HA LEU 14 -1.614 3.534 2.097
92 HB2 LEU 14 HB2 LEU 14 -0.428 6.101 3.118
93 HB3 LEU 14 HB3 LEU 14 -2.136 5.750 3.124
94 HG LEU 14 HG LEU 14 0.002 4.267 4.640
95 HD11 LEU 14 HD11 LEU 14 -0.504 6.430 5.576
96 HD12 LEU 14 HD12 LEU 14 -1.123 5.148 6.618
97 HD13 LEU 14 HD13 LEU 14 -2.227 6.054 5.581
98 HD21 LEU 14 HD21 LEU 14 -1.630 2.667 4.009
99 HD22 LEU 14 HD22 LEU 14 -2.955 3.761 4.417
100 HD23 LEU 14 HD23 LEU 14 -1.940 3.090 5.693
101 H LYS 15 H LYS 15 0.334 6.198 0.838
102 HA LYS 15 HA LYS 15 -1.604 7.531 -0.569
103 HB2 LYS 15 HB2 LYS 15 0.430 8.628 -0.179
104 HB3 LYS 15 HB3 LYS 15 1.372 7.333 -0.906
105 HG2 LYS 15 HG2 LYS 15 0.402 7.890 -3.070
106 HG3 LYS 15 HG3 LYS 15 -0.440 9.253 -2.338
107 HD2 LYS 15 HD2 LYS 15 2.553 8.873 -2.372
108 HD3 LYS 15 HD3 LYS 15 1.657 9.913 -3.478
109 HE2 LYS 15 HE2 LYS 15 0.884 11.263 -1.608
110 HE3 LYS 15 HE3 LYS 15 1.721 10.201 -0.475
111 HZ1 LYS 15 HZ1 LYS 15 3.020 12.169 -0.895
112 HZ2 LYS 15 HZ2 LYS 15 2.994 11.882 -2.562
113 HZ3 LYS 15 HZ3 LYS 15 3.816 10.821 -1.538
114 HA PRO 16 HA PRO 16 -0.626 5.153 -4.600
115 HB2 PRO 16 HB2 PRO 16 0.782 2.849 -4.523
116 HB3 PRO 16 HB3 PRO 16 1.561 4.426 -4.704
117 HG2 PRO 16 HG2 PRO 16 1.224 2.741 -2.256
118 HG3 PRO 16 HG3 PRO 16 2.657 3.630 -2.812
119 HD2 PRO 16 HD2 PRO 16 1.003 4.590 -0.883
120 HD3 PRO 16 HD3 PRO 16 1.876 5.650 -2.006
121 H CYS 17 H CYS 17 -1.048 3.307 -1.670
122 HA CYS 17 HA CYS 17 -2.657 1.241 -2.767
123 HB2 CYS 17 HB2 CYS 17 -1.465 1.075 -0.597
124 HB3 CYS 17 HB3 CYS 17 -2.550 2.290 0.070
125 H LYS 18 H LYS 18 -3.279 4.427 -1.446
126 HA LYS 18 HA LYS 18 -6.120 4.223 -1.415
127 HB2 LYS 18 HB2 LYS 18 -5.023 5.840 -0.022
128 HB3 LYS 18 HB3 LYS 18 -4.199 6.551 -1.400
129 HG2 LYS 18 HG2 LYS 18 -6.374 7.311 -2.268
130 HG3 LYS 18 HG3 LYS 18 -7.150 6.655 -0.823
131 HD2 LYS 18 HD2 LYS 18 -5.931 8.153 0.589
132 HD3 LYS 18 HD3 LYS 18 -4.935 8.689 -0.766
133 HE2 LYS 18 HE2 LYS 18 -7.911 9.115 -0.482
134 HE3 LYS 18 HE3 LYS 18 -6.671 10.331 -0.186
135 HZ1 LYS 18 HZ1 LYS 18 -7.226 9.005 -2.783
136 HZ2 LYS 18 HZ2 LYS 18 -6.001 10.139 -2.514
137 HZ3 LYS 18 HZ3 LYS 18 -7.624 10.596 -2.376
138 H LYS 19 H LYS 19 -3.696 5.313 -3.709
139 HA LYS 19 HA LYS 19 -5.452 6.328 -5.672
140 HB2 LYS 19 HB2 LYS 19 -2.966 6.697 -5.570
141 HB3 LYS 19 HB3 LYS 19 -2.751 5.042 -6.117
142 HG2 LYS 19 HG2 LYS 19 -3.996 5.597 -8.175
143 HG3 LYS 19 HG3 LYS 19 -4.088 7.273 -7.630
144 HD2 LYS 19 HD2 LYS 19 -1.620 7.357 -7.579
145 HD3 LYS 19 HD3 LYS 19 -1.573 5.709 -8.207
146 HE2 LYS 19 HE2 LYS 19 -2.869 6.505 -10.183
147 HE3 LYS 19 HE3 LYS 19 -2.695 8.148 -9.573
148 HZ1 LYS 19 HZ1 LYS 19 -0.474 6.332 -10.335
149 HZ2 LYS 19 HZ2 LYS 19 -0.288 7.897 -9.725
150 HZ3 LYS 19 HZ3 LYS 19 -1.024 7.658 -11.228
151 H ALA 20 H ALA 20 -4.301 3.126 -4.873
152 HA ALA 20 HA ALA 20 -5.398 1.856 -7.197
153 HB1 ALA 20 HB1 ALA 20 -3.479 0.938 -5.896
154 HB2 ALA 20 HB2 ALA 20 -4.797 -0.212 -6.130
155 HB3 ALA 20 HB3 ALA 20 -4.600 0.597 -4.577
156 H GLY 21 H GLY 21 -6.363 2.218 -3.798
157 HA2 GLY 21 HA2 GLY 21 -8.755 2.944 -3.636
158 HA3 GLY 21 HA3 GLY 21 -9.111 1.560 -4.648
159 H MET 22 H MET 22 -6.708 1.279 -2.142
160 HA MET 22 HA MET 22 -8.673 -0.283 -0.597
161 HB2 MET 22 HB2 MET 22 -5.707 -0.758 -0.868
162 HB3 MET 22 HB3 MET 22 -6.733 -1.589 0.288
163 HG2 MET 22 HG2 MET 22 -6.560 -3.086 -1.467
164 HG3 MET 22 HG3 MET 22 -8.116 -2.308 -1.738
165 HE1 MET 22 HE1 MET 22 -4.408 -2.612 -2.809
166 HE2 MET 22 HE2 MET 22 -4.480 -0.880 -2.481
167 HE3 MET 22 HE3 MET 22 -4.275 -1.457 -4.135
168 H ARG 23 H ARG 23 -7.602 -0.635 1.787
169 HA ARG 23 HA ARG 23 -7.838 2.064 2.821
170 HB2 ARG 23 HB2 ARG 23 -7.863 -0.648 4.129
171 HB3 ARG 23 HB3 ARG 23 -7.870 0.831 5.069
172 HG2 ARG 23 HG2 ARG 23 -9.932 1.497 3.778
173 HG3 ARG 23 HG3 ARG 23 -9.945 -0.150 3.151
174 HD2 ARG 23 HD2 ARG 23 -9.906 0.451 6.090
175 HD3 ARG 23 HD3 ARG 23 -11.403 0.306 5.173
176 HE ARG 23 HE ARG 23 -10.014 -1.967 4.578
177 HH11 ARG 23 HH11 ARG 23 -11.126 -0.476 7.547
178 HH12 ARG 23 HH12 ARG 23 -11.338 -1.991 8.366
179 HH21 ARG 23 HH21 ARG 23 -10.268 -3.926 5.653
180 HH22 ARG 23 HH22 ARG 23 -10.837 -3.957 7.295
181 H PHE 24 H PHE 24 -5.695 -0.599 3.805
182 HA PHE 24 HA PHE 24 -3.607 1.412 4.352
183 HB2 PHE 24 HB2 PHE 24 -3.302 -1.153 5.716
184 HB3 PHE 24 HB3 PHE 24 -3.250 0.480 6.388
185 HD1 PHE 24 HD1 PHE 24 -5.444 -2.232 5.332
186 HD2 PHE 24 HD2 PHE 24 -5.125 1.343 7.578
187 HE1 PHE 24 HE1 PHE 24 -7.666 -2.657 6.273
188 HE2 PHE 24 HE2 PHE 24 -7.352 0.936 8.552
189 HZ PHE 24 HZ PHE 24 -8.625 -1.071 7.905
190 H GLY 25 H GLY 25 -1.376 0.549 4.173
191 HA2 GLY 25 HA2 GLY 25 -1.189 -1.533 2.099
192 HA3 GLY 25 HA3 GLY 25 -0.442 0.037 1.840
193 H LYS 26 H LYS 26 0.268 -3.003 2.567
194 HA LYS 26 HA LYS 26 2.357 -2.384 4.519
195 HB2 LYS 26 HB2 LYS 26 1.212 -4.995 3.532
196 HB3 LYS 26 HB3 LYS 26 2.649 -4.900 4.542
197 HG2 LYS 26 HG2 LYS 26 1.345 -3.784 6.282
198 HG3 LYS 26 HG3 LYS 26 -0.097 -3.914 5.277
199 HD2 LYS 26 HD2 LYS 26 -0.006 -5.673 6.983
200 HD3 LYS 26 HD3 LYS 26 0.042 -6.338 5.353
201 HE2 LYS 26 HE2 LYS 26 1.622 -7.449 6.875
202 HE3 LYS 26 HE3 LYS 26 2.428 -6.671 5.516
203 HZ1 LYS 26 HZ1 LYS 26 2.183 -5.472 8.220
204 HZ2 LYS 26 HZ2 LYS 26 3.091 -4.873 6.925
205 HZ3 LYS 26 HZ3 LYS 26 3.540 -6.320 7.673
206 H CYS 27 H CYS 27 4.453 -3.630 4.100
207 HA CYS 27 HA CYS 27 5.171 -3.073 1.304
208 HB2 CYS 27 HB2 CYS 27 6.274 -1.673 3.079
209 HB3 CYS 27 HB3 CYS 27 7.059 -3.140 3.658
210 H ILE 28 H ILE 28 5.455 -4.775 0.111
211 HA ILE 28 HA ILE 28 6.817 -7.112 1.250
212 HB ILE 28 HB ILE 28 4.505 -7.015 -0.720
213 HG12 ILE 28 HG12 ILE 28 4.836 -7.977 2.100
214 HG13 ILE 28 HG13 ILE 28 3.665 -6.835 1.457
215 HG21 ILE 28 HG21 ILE 28 4.598 -9.438 -0.826
216 HG22 ILE 28 HG22 ILE 28 6.056 -9.445 0.170
217 HG23 ILE 28 HG23 ILE 28 6.092 -8.734 -1.444
218 HD11 ILE 28 HD11 ILE 28 2.614 -8.703 0.217
219 HD12 ILE 28 HD12 ILE 28 2.541 -8.872 1.969
220 HD13 ILE 28 HD13 ILE 28 3.710 -9.809 1.040
221 H ASN 29 H ASN 29 7.764 -8.391 -0.825
222 HA ASN 29 HA ASN 29 9.855 -6.771 -1.728
223 HB2 ASN 29 HB2 ASN 29 10.600 -8.700 -3.007
224 HB3 ASN 29 HB3 ASN 29 10.033 -9.195 -1.419
225 HD21 ASN 29 HD21 ASN 29 7.228 -8.638 -2.677
226 HD22 ASN 29 HD22 ASN 29 6.880 -10.140 -3.469
227 H GLY 30 H GLY 30 8.253 -5.099 -2.592
228 HA2 GLY 30 HA2 GLY 30 8.262 -3.817 -4.609
229 HA3 GLY 30 HA3 GLY 30 8.262 -5.322 -5.522
230 H LYS 31 H LYS 31 6.172 -5.511 -2.895
231 HA LYS 31 HA LYS 31 3.890 -4.979 -4.653
232 HB2 LYS 31 HB2 LYS 31 4.169 -7.334 -4.560
233 HB3 LYS 31 HB3 LYS 31 4.498 -7.302 -2.837
234 HG2 LYS 31 HG2 LYS 31 2.127 -6.431 -2.591
235 HG3 LYS 31 HG3 LYS 31 1.885 -6.984 -4.252
236 HD2 LYS 31 HD2 LYS 31 2.880 -8.683 -1.972
237 HD3 LYS 31 HD3 LYS 31 1.219 -8.675 -2.572
238 HE2 LYS 31 HE2 LYS 31 3.654 -9.411 -4.198
239 HE3 LYS 31 HE3 LYS 31 2.567 -10.567 -3.434
240 HZ1 LYS 31 HZ1 LYS 31 0.766 -9.717 -4.804
241 HZ2 LYS 31 HZ2 LYS 31 2.037 -10.274 -5.762
242 HZ3 LYS 31 HZ3 LYS 31 1.813 -8.616 -5.544
243 H CYS 32 H CYS 32 2.427 -3.606 -3.773
244 HA CYS 32 HA CYS 32 2.595 -3.020 -0.918
245 HB2 CYS 32 HB2 CYS 32 2.169 -1.235 -2.777
246 HB3 CYS 32 HB3 CYS 32 0.530 -1.868 -2.778
247 H ASP 33 H ASP 33 1.884 -4.975 -0.053
248 HA ASP 33 HA ASP 33 -0.645 -6.081 -0.837
249 HB2 ASP 33 HB2 ASP 33 1.044 -7.579 -0.018
250 HB3 ASP 33 HB3 ASP 33 1.201 -6.682 1.484
251 H CYS 34 H CYS 34 -2.371 -4.959 -0.473
252 HA CYS 34 HA CYS 34 -2.590 -3.290 1.916
253 HB2 CYS 34 HB2 CYS 34 -4.085 -3.330 -0.703
254 HB3 CYS 34 HB3 CYS 34 -4.535 -2.304 0.653
255 H THR 35 H THR 35 -4.758 -3.107 2.909
256 HA THR 35 HA THR 35 -6.384 -5.535 2.591
257 HB THR 35 HB THR 35 -6.317 -3.652 4.961
258 HG1 THR 35 HG1 THR 35 -5.097 -6.165 4.472
259 HG21 THR 35 HG21 THR 35 -8.485 -4.861 4.396
260 HG22 THR 35 HG22 THR 35 -7.839 -5.118 6.021
261 HG23 THR 35 HG23 THR 35 -7.626 -6.354 4.782
262 HA PRO 36 HA PRO 36 -9.121 -2.546 0.763
263 HB2 PRO 36 HB2 PRO 36 -10.991 -4.241 -0.103
264 HB3 PRO 36 HB3 PRO 36 -9.374 -4.219 -0.814
265 HG2 PRO 36 HG2 PRO 36 -10.540 -6.108 1.189
266 HG3 PRO 36 HG3 PRO 36 -9.509 -6.454 -0.210
267 HD2 PRO 36 HD2 PRO 36 -8.606 -6.240 2.392
268 HD3 PRO 36 HD3 PRO 36 -7.596 -6.020 0.955
269 H LYS 37 H LYS 37 -11.876 -2.877 0.741
270 HA LYS 37 HA LYS 37 -12.487 -2.150 3.482
271 HB2 LYS 37 HB2 LYS 37 -13.945 -1.882 0.883
272 HB3 LYS 37 HB3 LYS 37 -14.840 -1.777 2.390
273 HG2 LYS 37 HG2 LYS 37 -14.328 0.434 1.759
274 HG3 LYS 37 HG3 LYS 37 -13.241 0.036 3.088
275 HD2 LYS 37 HD2 LYS 37 -11.765 1.019 1.644
276 HD3 LYS 37 HD3 LYS 37 -11.633 -0.658 1.117
277 HE2 LYS 37 HE2 LYS 37 -13.407 1.428 -0.149
278 HE3 LYS 37 HE3 LYS 37 -11.834 0.932 -0.762
279 HZ1 LYS 37 HZ1 LYS 37 -12.707 -1.310 -1.050
280 HZ2 LYS 37 HZ2 LYS 37 -13.601 -0.181 -1.935
281 HZ3 LYS 37 HZ3 LYS 37 -14.222 -0.806 -0.496
Start of MODEL 12
1 H1 VAL 1 H1 VAL 1 -5.896 -9.341 -3.692
2 H2 VAL 1 H2 VAL 1 -4.586 -9.478 -2.628
3 H3 VAL 1 H3 VAL 1 -4.358 -9.718 -4.283
4 HA VAL 1 HA VAL 1 -4.872 -7.442 -4.748
5 HB VAL 1 HB VAL 1 -4.944 -5.850 -2.764
6 HG11 VAL 1 HG11 VAL 1 -7.320 -5.999 -2.541
7 HG12 VAL 1 HG12 VAL 1 -7.309 -7.693 -3.035
8 HG13 VAL 1 HG13 VAL 1 -6.891 -6.433 -4.196
9 HG21 VAL 1 HG21 VAL 1 -4.234 -7.331 -1.008
10 HG22 VAL 1 HG22 VAL 1 -5.590 -8.414 -1.317
11 HG23 VAL 1 HG23 VAL 1 -5.881 -6.797 -0.674
12 H GLY 2 H GLY 2 -3.369 -5.499 -3.848
13 HA2 GLY 2 HA2 GLY 2 -1.177 -5.117 -2.819
14 HA3 GLY 2 HA3 GLY 2 -0.749 -6.749 -3.319
15 H ILE 3 H ILE 3 -0.477 -3.542 -4.082
16 HA ILE 3 HA ILE 3 -0.700 -3.848 -6.962
17 HB ILE 3 HB ILE 3 -0.450 -1.487 -7.093
18 HG12 ILE 3 HG12 ILE 3 0.385 -1.557 -4.189
19 HG13 ILE 3 HG13 ILE 3 1.485 -1.338 -5.541
20 HG21 ILE 3 HG21 ILE 3 -2.152 -0.711 -5.415
21 HG22 ILE 3 HG22 ILE 3 -2.053 -2.303 -4.673
22 HG23 ILE 3 HG23 ILE 3 -2.621 -2.136 -6.335
23 HD11 ILE 3 HD11 ILE 3 -0.570 0.529 -4.473
24 HD12 ILE 3 HD12 ILE 3 0.064 0.712 -6.104
25 HD13 ILE 3 HD13 ILE 3 1.151 0.800 -4.716
26 H ASN 4 H ASN 4 1.122 -2.473 -8.124
27 HA ASN 4 HA ASN 4 3.626 -3.847 -7.438
28 HB2 ASN 4 HB2 ASN 4 2.709 -4.396 -9.666
29 HB3 ASN 4 HB3 ASN 4 2.733 -2.688 -10.094
30 HD21 ASN 4 HD21 ASN 4 4.670 -1.708 -10.595
31 HD22 ASN 4 HD22 ASN 4 6.125 -2.599 -10.870
32 H VAL 5 H VAL 5 4.520 -2.437 -6.041
33 HA VAL 5 HA VAL 5 5.323 0.170 -7.071
34 HB VAL 5 HB VAL 5 3.071 0.225 -5.722
35 HG11 VAL 5 HG11 VAL 5 3.369 0.492 -3.331
36 HG12 VAL 5 HG12 VAL 5 5.070 0.072 -3.484
37 HG13 VAL 5 HG13 VAL 5 3.827 -1.120 -3.866
38 HG21 VAL 5 HG21 VAL 5 3.589 2.434 -4.835
39 HG22 VAL 5 HG22 VAL 5 4.275 2.225 -6.447
40 HG23 VAL 5 HG23 VAL 5 5.313 2.122 -5.028
41 H ASP 6 H ASP 6 6.624 1.194 -4.986
42 HA ASP 6 HA ASP 6 8.352 -0.960 -3.989
43 HB2 ASP 6 HB2 ASP 6 9.409 1.631 -5.106
44 HB3 ASP 6 HB3 ASP 6 10.338 0.255 -4.523
45 H CYS 7 H CYS 7 7.930 -0.852 -1.920
46 HA CYS 7 HA CYS 7 7.642 1.733 -0.602
47 HB2 CYS 7 HB2 CYS 7 7.099 0.229 1.411
48 HB3 CYS 7 HB3 CYS 7 5.927 0.335 0.115
49 H LYS 8 H LYS 8 9.197 2.620 0.559
50 HA LYS 8 HA LYS 8 11.447 1.017 1.463
51 HB2 LYS 8 HB2 LYS 8 10.824 3.928 2.007
52 HB3 LYS 8 HB3 LYS 8 12.359 3.116 2.277
53 HG2 LYS 8 HG2 LYS 8 12.654 2.804 -0.101
54 HG3 LYS 8 HG3 LYS 8 11.068 3.516 -0.408
55 HD2 LYS 8 HD2 LYS 8 11.796 5.642 0.435
56 HD3 LYS 8 HD3 LYS 8 13.329 4.954 0.964
57 HE2 LYS 8 HE2 LYS 8 13.876 4.453 -1.393
58 HE3 LYS 8 HE3 LYS 8 12.375 5.238 -1.881
59 HZ1 LYS 8 HZ1 LYS 8 13.185 7.296 -0.895
60 HZ2 LYS 8 HZ2 LYS 8 14.248 6.739 -2.082
61 HZ3 LYS 8 HZ3 LYS 8 14.630 6.537 -0.449
62 H HIS 9 H HIS 9 8.382 2.063 2.444
63 HA HIS 9 HA HIS 9 8.668 0.818 5.063
64 HB2 HIS 9 HB2 HIS 9 7.361 3.523 5.005
65 HB3 HIS 9 HB3 HIS 9 7.970 2.630 6.387
66 HD1 HIS 9 HD1 HIS 9 9.041 4.885 3.613
67 HD2 HIS 9 HD2 HIS 9 10.668 3.083 6.988
68 HE1 HIS 9 HE1 HIS 9 11.291 5.907 3.892
69 HE2 HIS 9 HE2 HIS 9 12.311 4.759 5.894
70 H SER 10 H SER 10 6.461 0.658 6.111
71 HA SER 10 HA SER 10 4.493 -0.043 4.122
72 HB2 SER 10 HB2 SER 10 3.150 -0.692 6.172
73 HB3 SER 10 HB3 SER 10 4.700 -1.513 5.996
74 HG SER 10 HG SER 10 4.033 -0.463 8.133
75 H GLY 11 H GLY 11 5.188 2.688 6.108
76 HA2 GLY 11 HA2 GLY 11 2.566 3.775 6.285
77 HA3 GLY 11 HA3 GLY 11 4.068 4.648 6.533
78 H GLN 12 H GLN 12 5.213 4.263 3.989
79 HA GLN 12 HA GLN 12 3.750 6.227 2.481
80 HB2 GLN 12 HB2 GLN 12 5.614 6.116 0.903
81 HB3 GLN 12 HB3 GLN 12 6.199 6.277 2.554
82 HG2 GLN 12 HG2 GLN 12 6.757 3.947 2.640
83 HG3 GLN 12 HG3 GLN 12 6.038 3.676 1.051
84 HE21 GLN 12 HE21 GLN 12 7.109 4.459 -0.786
85 HE22 GLN 12 HE22 GLN 12 8.784 4.897 -0.742
86 H CYS 13 H CYS 13 3.236 3.081 2.856
87 HA CYS 13 HA CYS 13 2.762 2.311 0.104
88 HB2 CYS 13 HB2 CYS 13 3.558 0.681 1.795
89 HB3 CYS 13 HB3 CYS 13 2.076 0.920 2.707
90 H LEU 14 H LEU 14 1.179 3.950 2.585
91 HA LEU 14 HA LEU 14 -1.505 3.193 2.187
92 HB2 LEU 14 HB2 LEU 14 -0.401 5.827 3.157
93 HB3 LEU 14 HB3 LEU 14 -2.039 5.261 3.375
94 HG LEU 14 HG LEU 14 0.454 4.129 4.633
95 HD11 LEU 14 HD11 LEU 14 -0.358 6.162 5.674
96 HD12 LEU 14 HD12 LEU 14 -0.632 4.773 6.725
97 HD13 LEU 14 HD13 LEU 14 -1.972 5.467 5.812
98 HD21 LEU 14 HD21 LEU 14 -0.926 2.268 4.111
99 HD22 LEU 14 HD22 LEU 14 -2.373 3.105 4.679
100 HD23 LEU 14 HD23 LEU 14 -1.130 2.617 5.829
101 H LYS 15 H LYS 15 0.251 6.065 1.099
102 HA LYS 15 HA LYS 15 -1.716 7.386 -0.203
103 HB2 LYS 15 HB2 LYS 15 0.409 8.374 0.297
104 HB3 LYS 15 HB3 LYS 15 1.238 7.255 -0.775
105 HG2 LYS 15 HG2 LYS 15 1.129 9.199 -2.012
106 HG3 LYS 15 HG3 LYS 15 -0.222 8.234 -2.592
107 HD2 LYS 15 HD2 LYS 15 -0.980 10.494 -2.320
108 HD3 LYS 15 HD3 LYS 15 -1.718 9.501 -1.062
109 HE2 LYS 15 HE2 LYS 15 -0.910 11.662 -0.205
110 HE3 LYS 15 HE3 LYS 15 -0.103 10.294 0.556
111 HZ1 LYS 15 HZ1 LYS 15 1.011 11.938 -1.649
112 HZ2 LYS 15 HZ2 LYS 15 1.792 10.642 -0.898
113 HZ3 LYS 15 HZ3 LYS 15 1.458 12.047 -0.024
114 HA PRO 16 HA PRO 16 -0.685 5.395 -4.437
115 HB2 PRO 16 HB2 PRO 16 0.695 3.065 -4.548
116 HB3 PRO 16 HB3 PRO 16 1.480 4.647 -4.600
117 HG2 PRO 16 HG2 PRO 16 1.149 2.761 -2.308
118 HG3 PRO 16 HG3 PRO 16 2.565 3.724 -2.772
119 HD2 PRO 16 HD2 PRO 16 0.876 4.467 -0.773
120 HD3 PRO 16 HD3 PRO 16 1.753 5.635 -1.776
121 H CYS 17 H CYS 17 -1.266 3.205 -1.739
122 HA CYS 17 HA CYS 17 -2.896 1.443 -3.272
123 HB2 CYS 17 HB2 CYS 17 -2.047 1.727 -0.445
124 HB3 CYS 17 HB3 CYS 17 -3.498 0.808 -0.776
125 H LYS 18 H LYS 18 -3.362 4.332 -1.389
126 HA LYS 18 HA LYS 18 -6.229 4.145 -1.363
127 HB2 LYS 18 HB2 LYS 18 -4.331 6.452 -0.916
128 HB3 LYS 18 HB3 LYS 18 -6.081 6.610 -0.806
129 HG2 LYS 18 HG2 LYS 18 -6.099 4.920 0.980
130 HG3 LYS 18 HG3 LYS 18 -4.338 4.834 0.890
131 HD2 LYS 18 HD2 LYS 18 -4.192 7.198 1.490
132 HD3 LYS 18 HD3 LYS 18 -5.952 7.292 1.566
133 HE2 LYS 18 HE2 LYS 18 -5.950 5.615 3.356
134 HE3 LYS 18 HE3 LYS 18 -4.189 5.561 3.294
135 HZ1 LYS 18 HZ1 LYS 18 -4.091 7.842 3.982
136 HZ2 LYS 18 HZ2 LYS 18 -5.053 6.987 5.079
137 HZ3 LYS 18 HZ3 LYS 18 -5.775 7.987 3.925
138 H LYS 19 H LYS 19 -3.789 5.209 -3.538
139 HA LYS 19 HA LYS 19 -5.492 6.557 -5.387
140 HB2 LYS 19 HB2 LYS 19 -3.006 6.812 -5.296
141 HB3 LYS 19 HB3 LYS 19 -2.850 5.164 -5.878
142 HG2 LYS 19 HG2 LYS 19 -3.942 5.781 -7.963
143 HG3 LYS 19 HG3 LYS 19 -4.139 7.434 -7.375
144 HD2 LYS 19 HD2 LYS 19 -1.680 7.614 -7.172
145 HD3 LYS 19 HD3 LYS 19 -1.531 5.999 -7.865
146 HE2 LYS 19 HE2 LYS 19 -2.795 8.375 -9.224
147 HE3 LYS 19 HE3 LYS 19 -1.167 7.778 -9.528
148 HZ1 LYS 19 HZ1 LYS 19 -2.696 6.982 -11.193
149 HZ2 LYS 19 HZ2 LYS 19 -3.690 6.295 -10.013
150 HZ3 LYS 19 HZ3 LYS 19 -2.134 5.682 -10.269
151 H ALA 20 H ALA 20 -4.382 3.266 -4.898
152 HA ALA 20 HA ALA 20 -5.548 2.173 -7.250
153 HB1 ALA 20 HB1 ALA 20 -3.674 1.124 -5.982
154 HB2 ALA 20 HB2 ALA 20 -5.016 0.028 -6.313
155 HB3 ALA 20 HB3 ALA 20 -4.824 0.725 -4.705
156 H GLY 21 H GLY 21 -6.532 2.145 -3.819
157 HA2 GLY 21 HA2 GLY 21 -9.026 2.807 -3.721
158 HA3 GLY 21 HA3 GLY 21 -9.231 1.355 -4.684
159 H MET 22 H MET 22 -6.754 1.301 -2.297
160 HA MET 22 HA MET 22 -8.426 -0.495 -0.701
161 HB2 MET 22 HB2 MET 22 -5.438 -0.280 -0.988
162 HB3 MET 22 HB3 MET 22 -6.192 -1.217 0.294
163 HG2 MET 22 HG2 MET 22 -5.691 -2.747 -1.408
164 HG3 MET 22 HG3 MET 22 -7.429 -2.459 -1.505
165 HE1 MET 22 HE1 MET 22 -7.583 -3.483 -3.920
166 HE2 MET 22 HE2 MET 22 -5.862 -3.860 -3.845
167 HE3 MET 22 HE3 MET 22 -6.521 -3.025 -5.250
168 H ARG 23 H ARG 23 -7.445 -0.574 1.726
169 HA ARG 23 HA ARG 23 -8.011 2.153 2.666
170 HB2 ARG 23 HB2 ARG 23 -8.187 -0.534 4.022
171 HB3 ARG 23 HB3 ARG 23 -8.394 0.978 4.890
172 HG2 ARG 23 HG2 ARG 23 -10.211 1.508 3.191
173 HG3 ARG 23 HG3 ARG 23 -10.100 -0.190 2.738
174 HD2 ARG 23 HD2 ARG 23 -10.561 0.689 5.568
175 HD3 ARG 23 HD3 ARG 23 -11.883 0.419 4.434
176 HE ARG 23 HE ARG 23 -10.456 -1.880 4.284
177 HH11 ARG 23 HH11 ARG 23 -11.856 -0.068 6.930
178 HH12 ARG 23 HH12 ARG 23 -12.113 -1.468 7.920
179 HH21 ARG 23 HH21 ARG 23 -10.775 -3.716 5.590
180 HH22 ARG 23 HH22 ARG 23 -11.485 -3.544 7.163
181 H PHE 24 H PHE 24 -5.881 -0.539 3.536
182 HA PHE 24 HA PHE 24 -4.121 1.366 4.928
183 HB2 PHE 24 HB2 PHE 24 -3.825 -1.586 5.250
184 HB3 PHE 24 HB3 PHE 24 -3.614 -0.303 6.441
185 HD1 PHE 24 HD2 PHE 24 -5.578 0.631 7.609
186 HD2 PHE 24 HD1 PHE 24 -5.905 -2.582 4.855
187 HE1 PHE 24 HE2 PHE 24 -7.842 0.142 8.446
188 HE2 PHE 24 HE1 PHE 24 -8.161 -3.077 5.677
189 HZ PHE 24 HZ PHE 24 -9.133 -1.717 7.488
190 H GLY 25 H GLY 25 -1.848 -0.304 5.031
191 HA2 GLY 25 HA2 GLY 25 -1.178 -1.140 2.357
192 HA3 GLY 25 HA3 GLY 25 -0.365 0.339 2.858
193 H LYS 26 H LYS 26 0.480 -2.546 2.310
194 HA LYS 26 HA LYS 26 2.147 -2.830 4.715
195 HB2 LYS 26 HB2 LYS 26 0.228 -4.517 4.553
196 HB3 LYS 26 HB3 LYS 26 1.062 -5.147 3.144
197 HG2 LYS 26 HG2 LYS 26 3.059 -5.532 4.603
198 HG3 LYS 26 HG3 LYS 26 2.025 -5.146 5.983
199 HD2 LYS 26 HD2 LYS 26 1.571 -7.354 3.973
200 HD3 LYS 26 HD3 LYS 26 2.125 -7.559 5.636
201 HE2 LYS 26 HE2 LYS 26 0.038 -6.828 6.507
202 HE3 LYS 26 HE3 LYS 26 -0.500 -6.268 4.927
203 HZ1 LYS 26 HZ1 LYS 26 -0.570 -8.534 4.157
204 HZ2 LYS 26 HZ2 LYS 26 -1.515 -8.377 5.551
205 HZ3 LYS 26 HZ3 LYS 26 0.011 -9.099 5.643
206 H CYS 27 H CYS 27 4.234 -3.556 4.281
207 HA CYS 27 HA CYS 27 5.022 -3.059 1.512
208 HB2 CYS 27 HB2 CYS 27 6.060 -1.738 3.382
209 HB3 CYS 27 HB3 CYS 27 6.810 -3.229 3.942
210 H ILE 28 H ILE 28 5.206 -4.798 0.274
211 HA ILE 28 HA ILE 28 6.345 -7.232 1.447
212 HB ILE 28 HB ILE 28 4.376 -6.761 -0.781
213 HG12 ILE 28 HG12 ILE 28 4.431 -8.272 1.794
214 HG13 ILE 28 HG13 ILE 28 3.309 -7.029 1.264
215 HG21 ILE 28 HG21 ILE 28 4.496 -9.070 -1.461
216 HG22 ILE 28 HG22 ILE 28 5.785 -9.382 -0.299
217 HG23 ILE 28 HG23 ILE 28 6.076 -8.315 -1.673
218 HD11 ILE 28 HD11 ILE 28 2.458 -8.630 -0.437
219 HD12 ILE 28 HD12 ILE 28 2.158 -9.101 1.237
220 HD13 ILE 28 HD13 ILE 28 3.451 -9.874 0.319
221 H ASN 29 H ASN 29 7.733 -8.468 -0.200
222 HA ASN 29 HA ASN 29 10.019 -7.054 -0.620
223 HB2 ASN 29 HB2 ASN 29 10.815 -8.855 -2.056
224 HB3 ASN 29 HB3 ASN 29 9.928 -9.503 -0.682
225 HD21 ASN 29 HD21 ASN 29 7.925 -10.473 -1.021
226 HD22 ASN 29 HD22 ASN 29 7.402 -10.959 -2.597
227 H GLY 30 H GLY 30 7.410 -7.439 -2.995
228 HA2 GLY 30 HA2 GLY 30 8.522 -5.063 -4.317
229 HA3 GLY 30 HA3 GLY 30 8.148 -6.473 -5.292
230 H LYS 31 H LYS 31 6.016 -5.975 -2.632
231 HA LYS 31 HA LYS 31 4.044 -4.863 -4.519
232 HB2 LYS 31 HB2 LYS 31 3.686 -7.135 -2.574
233 HB3 LYS 31 HB3 LYS 31 2.337 -6.275 -3.296
234 HG2 LYS 31 HG2 LYS 31 3.033 -6.984 -5.501
235 HG3 LYS 31 HG3 LYS 31 4.444 -7.792 -4.814
236 HD2 LYS 31 HD2 LYS 31 2.957 -9.240 -3.501
237 HD3 LYS 31 HD3 LYS 31 1.559 -8.450 -4.230
238 HE2 LYS 31 HE2 LYS 31 2.284 -9.217 -6.438
239 HE3 LYS 31 HE3 LYS 31 3.674 -10.015 -5.702
240 HZ1 LYS 31 HZ1 LYS 31 1.875 -11.569 -6.110
241 HZ2 LYS 31 HZ2 LYS 31 0.827 -10.650 -5.156
242 HZ3 LYS 31 HZ3 LYS 31 2.158 -11.416 -4.450
243 H CYS 32 H CYS 32 2.378 -3.614 -3.620
244 HA CYS 32 HA CYS 32 2.643 -2.986 -0.764
245 HB2 CYS 32 HB2 CYS 32 1.863 -1.382 -3.058
246 HB3 CYS 32 HB3 CYS 32 0.598 -1.392 -1.834
247 H ASP 33 H ASP 33 1.760 -4.878 -0.011
248 HA ASP 33 HA ASP 33 -0.755 -5.869 -0.982
249 HB2 ASP 33 HB2 ASP 33 0.834 -7.466 -0.187
250 HB3 ASP 33 HB3 ASP 33 1.004 -6.629 1.352
251 H CYS 34 H CYS 34 -2.240 -4.294 -0.695
252 HA CYS 34 HA CYS 34 -2.674 -3.300 2.032
253 HB2 CYS 34 HB2 CYS 34 -3.547 -2.062 -0.580
254 HB3 CYS 34 HB3 CYS 34 -3.620 -1.325 1.019
255 H THR 35 H THR 35 -4.734 -3.327 2.905
256 HA THR 35 HA THR 35 -6.562 -5.186 1.574
257 HB THR 35 HB THR 35 -6.560 -4.194 4.436
258 HG1 THR 35 HG1 THR 35 -4.851 -5.740 3.635
259 HG21 THR 35 HG21 THR 35 -8.799 -4.829 3.457
260 HG22 THR 35 HG22 THR 35 -8.299 -5.758 4.873
261 HG23 THR 35 HG23 THR 35 -8.159 -6.462 3.262
262 HA PRO 36 HA PRO 36 -8.997 -1.627 0.617
263 HB2 PRO 36 HB2 PRO 36 -10.884 -2.840 -0.821
264 HB3 PRO 36 HB3 PRO 36 -9.233 -2.713 -1.413
265 HG2 PRO 36 HG2 PRO 36 -10.637 -5.047 -0.209
266 HG3 PRO 36 HG3 PRO 36 -9.452 -5.003 -1.524
267 HD2 PRO 36 HD2 PRO 36 -8.903 -5.644 1.131
268 HD3 PRO 36 HD3 PRO 36 -7.704 -5.164 -0.083
269 H LYS 37 H LYS 37 -11.698 -1.658 0.289
270 HA LYS 37 HA LYS 37 -12.597 -1.523 3.009
271 HB2 LYS 37 HB2 LYS 37 -13.956 -1.002 0.379
272 HB3 LYS 37 HB3 LYS 37 -14.833 -0.955 1.894
273 HG2 LYS 37 HG2 LYS 37 -14.295 1.268 1.392
274 HG3 LYS 37 HG3 LYS 37 -13.169 0.784 2.656
275 HD2 LYS 37 HD2 LYS 37 -11.410 0.479 1.033
276 HD3 LYS 37 HD3 LYS 37 -12.533 0.789 -0.293
277 HE2 LYS 37 HE2 LYS 37 -11.853 2.775 1.870
278 HE3 LYS 37 HE3 LYS 37 -11.091 2.733 0.282
279 HZ1 LYS 37 HZ1 LYS 37 -12.898 4.355 0.409
280 HZ2 LYS 37 HZ2 LYS 37 -13.998 3.121 0.766
281 HZ3 LYS 37 HZ3 LYS 37 -13.219 3.155 -0.737
Start of MODEL 13
1 H1 VAL 1 H1 VAL 1 -5.396 -9.243 -2.958
2 H2 VAL 1 H2 VAL 1 -5.342 -9.185 -4.644
3 H3 VAL 1 H3 VAL 1 -6.764 -8.765 -3.832
4 HA VAL 1 HA VAL 1 -5.608 -6.814 -4.631
5 HB VAL 1 HB VAL 1 -5.325 -5.628 -2.415
6 HG11 VAL 1 HG11 VAL 1 -7.665 -5.630 -1.920
7 HG12 VAL 1 HG12 VAL 1 -7.881 -7.198 -2.694
8 HG13 VAL 1 HG13 VAL 1 -7.468 -5.785 -3.665
9 HG21 VAL 1 HG21 VAL 1 -4.568 -7.530 -1.096
10 HG22 VAL 1 HG22 VAL 1 -6.123 -8.327 -1.330
11 HG23 VAL 1 HG23 VAL 1 -6.030 -6.831 -0.402
12 H GLY 2 H GLY 2 -3.822 -5.239 -3.579
13 HA2 GLY 2 HA2 GLY 2 -1.551 -5.137 -2.768
14 HA3 GLY 2 HA3 GLY 2 -1.324 -6.779 -3.357
15 H ILE 3 H ILE 3 -0.375 -3.776 -3.932
16 HA ILE 3 HA ILE 3 -0.614 -3.940 -6.860
17 HB ILE 3 HB ILE 3 -0.157 -1.597 -6.928
18 HG12 ILE 3 HG12 ILE 3 0.427 -1.803 -3.962
19 HG13 ILE 3 HG13 ILE 3 1.620 -1.545 -5.228
20 HG21 ILE 3 HG21 ILE 3 -1.930 -0.732 -5.298
21 HG22 ILE 3 HG22 ILE 3 -2.081 -2.401 -4.762
22 HG23 ILE 3 HG23 ILE 3 -2.426 -1.978 -6.437
23 HD11 ILE 3 HD11 ILE 3 -0.436 0.332 -4.169
24 HD12 ILE 3 HD12 ILE 3 0.266 0.572 -5.765
25 HD13 ILE 3 HD13 ILE 3 1.302 0.561 -4.338
26 H ASN 4 H ASN 4 1.531 -2.587 -7.741
27 HA ASN 4 HA ASN 4 3.712 -4.359 -6.979
28 HB2 ASN 4 HB2 ASN 4 3.244 -3.937 -9.389
29 HB3 ASN 4 HB3 ASN 4 3.659 -2.245 -9.148
30 HD21 ASN 4 HD21 ASN 4 4.858 -5.490 -9.367
31 HD22 ASN 4 HD22 ASN 4 6.532 -5.076 -9.511
32 H VAL 5 H VAL 5 4.146 -1.032 -7.990
33 HA VAL 5 HA VAL 5 5.272 0.728 -7.113
34 HB VAL 5 HB VAL 5 3.051 0.412 -5.703
35 HG11 VAL 5 HG11 VAL 5 3.385 0.402 -3.329
36 HG12 VAL 5 HG12 VAL 5 5.129 0.236 -3.540
37 HG13 VAL 5 HG13 VAL 5 4.052 -1.071 -4.033
38 HG21 VAL 5 HG21 VAL 5 3.480 2.540 -4.613
39 HG22 VAL 5 HG22 VAL 5 4.084 2.544 -6.269
40 HG23 VAL 5 HG23 VAL 5 5.205 2.365 -4.922
41 H ASP 6 H ASP 6 6.541 1.384 -4.862
42 HA ASP 6 HA ASP 6 8.165 -0.862 -3.977
43 HB2 ASP 6 HB2 ASP 6 10.239 0.475 -4.242
44 HB3 ASP 6 HB3 ASP 6 9.453 0.083 -5.761
45 H CYS 7 H CYS 7 7.985 -0.916 -1.863
46 HA CYS 7 HA CYS 7 7.519 1.555 -0.393
47 HB2 CYS 7 HB2 CYS 7 7.172 0.053 1.574
48 HB3 CYS 7 HB3 CYS 7 6.037 -0.184 0.266
49 H LYS 8 H LYS 8 9.073 2.611 0.602
50 HA LYS 8 HA LYS 8 11.509 1.289 1.429
51 HB2 LYS 8 HB2 LYS 8 11.440 3.715 0.770
52 HB3 LYS 8 HB3 LYS 8 10.444 4.026 2.181
53 HG2 LYS 8 HG2 LYS 8 12.247 3.229 3.614
54 HG3 LYS 8 HG3 LYS 8 13.265 2.988 2.194
55 HD2 LYS 8 HD2 LYS 8 13.008 5.409 1.674
56 HD3 LYS 8 HD3 LYS 8 12.136 5.601 3.196
57 HE2 LYS 8 HE2 LYS 8 14.971 4.617 2.905
58 HE3 LYS 8 HE3 LYS 8 14.497 6.239 3.400
59 HZ1 LYS 8 HZ1 LYS 8 13.930 3.719 4.870
60 HZ2 LYS 8 HZ2 LYS 8 13.391 5.251 5.335
61 HZ3 LYS 8 HZ3 LYS 8 15.044 4.911 5.314
62 H HIS 9 H HIS 9 8.359 1.848 2.503
63 HA HIS 9 HA HIS 9 8.471 0.288 4.825
64 HB2 HIS 9 HB2 HIS 9 7.941 2.179 6.476
65 HB3 HIS 9 HB3 HIS 9 9.624 1.999 6.000
66 HD1 HIS 9 HD1 HIS 9 10.688 3.888 4.695
67 HD2 HIS 9 HD2 HIS 9 6.665 4.521 5.496
68 HE1 HIS 9 HE1 HIS 9 10.215 6.226 3.936
69 HE2 HIS 9 HE2 HIS 9 7.839 6.670 4.659
70 H SER 10 H SER 10 6.367 0.312 5.975
71 HA SER 10 HA SER 10 4.285 0.252 4.056
72 HB2 SER 10 HB2 SER 10 2.878 -0.253 6.142
73 HB3 SER 10 HB3 SER 10 4.194 -1.361 5.762
74 HG SER 10 HG SER 10 4.861 -0.947 7.707
75 H GLY 11 H GLY 11 5.251 2.666 6.389
76 HA2 GLY 11 HA2 GLY 11 2.870 4.093 6.669
77 HA3 GLY 11 HA3 GLY 11 4.478 4.788 6.796
78 H GLN 12 H GLN 12 5.222 4.147 4.056
79 HA GLN 12 HA GLN 12 3.880 6.409 2.803
80 HB2 GLN 12 HB2 GLN 12 5.693 6.518 1.297
81 HB3 GLN 12 HB3 GLN 12 6.417 6.116 2.848
82 HG2 GLN 12 HG2 GLN 12 6.524 3.767 2.181
83 HG3 GLN 12 HG3 GLN 12 5.817 4.185 0.623
84 HE21 GLN 12 HE21 GLN 12 7.521 3.546 -0.596
85 HE22 GLN 12 HE22 GLN 12 9.056 4.353 -0.594
86 H CYS 13 H CYS 13 3.078 3.349 3.079
87 HA CYS 13 HA CYS 13 2.745 2.652 0.275
88 HB2 CYS 13 HB2 CYS 13 3.465 0.939 1.913
89 HB3 CYS 13 HB3 CYS 13 1.948 1.142 2.778
90 H LEU 14 H LEU 14 1.065 4.267 2.685
91 HA LEU 14 HA LEU 14 -1.591 3.468 2.186
92 HB2 LEU 14 HB2 LEU 14 -0.550 6.108 3.200
93 HB3 LEU 14 HB3 LEU 14 -2.195 5.548 3.328
94 HG LEU 14 HG LEU 14 0.227 4.416 4.719
95 HD11 LEU 14 HD11 LEU 14 -0.644 6.439 5.721
96 HD12 LEU 14 HD12 LEU 14 -0.981 5.047 6.752
97 HD13 LEU 14 HD13 LEU 14 -2.266 5.745 5.763
98 HD21 LEU 14 HD21 LEU 14 -1.136 2.553 4.092
99 HD22 LEU 14 HD22 LEU 14 -2.599 3.372 4.644
100 HD23 LEU 14 HD23 LEU 14 -1.378 2.864 5.813
101 H LYS 15 H LYS 15 0.255 6.263 1.070
102 HA LYS 15 HA LYS 15 -1.616 7.554 -0.418
103 HB2 LYS 15 HB2 LYS 15 0.715 8.289 0.170
104 HB3 LYS 15 HB3 LYS 15 1.281 7.339 -1.198
105 HG2 LYS 15 HG2 LYS 15 -0.062 8.675 -2.707
106 HG3 LYS 15 HG3 LYS 15 -0.688 9.582 -1.331
107 HD2 LYS 15 HD2 LYS 15 1.503 10.455 -0.843
108 HD3 LYS 15 HD3 LYS 15 2.222 9.448 -2.099
109 HE2 LYS 15 HE2 LYS 15 1.978 11.722 -2.896
110 HE3 LYS 15 HE3 LYS 15 0.905 10.649 -3.790
111 HZ1 LYS 15 HZ1 LYS 15 -0.926 11.380 -2.384
112 HZ2 LYS 15 HZ2 LYS 15 -0.218 12.685 -3.183
113 HZ3 LYS 15 HZ3 LYS 15 0.109 12.423 -1.549
114 HA PRO 16 HA PRO 16 -0.533 5.255 -4.473
115 HB2 PRO 16 HB2 PRO 16 0.864 2.941 -4.409
116 HB3 PRO 16 HB3 PRO 16 1.652 4.517 -4.535
117 HG2 PRO 16 HG2 PRO 16 1.265 2.766 -2.143
118 HG3 PRO 16 HG3 PRO 16 2.696 3.697 -2.630
119 HD2 PRO 16 HD2 PRO 16 0.960 4.569 -0.720
120 HD3 PRO 16 HD3 PRO 16 1.873 5.668 -1.765
121 H CYS 17 H CYS 17 -1.090 3.373 -1.604
122 HA CYS 17 HA CYS 17 -2.617 1.308 -2.856
123 HB2 CYS 17 HB2 CYS 17 -1.433 0.997 -0.708
124 HB3 CYS 17 HB3 CYS 17 -2.505 2.175 0.042
125 H LYS 18 H LYS 18 -3.259 4.422 -1.446
126 HA LYS 18 HA LYS 18 -6.094 4.135 -1.340
127 HB2 LYS 18 HB2 LYS 18 -4.661 5.768 -0.010
128 HB3 LYS 18 HB3 LYS 18 -4.546 6.719 -1.482
129 HG2 LYS 18 HG2 LYS 18 -6.286 7.597 -0.045
130 HG3 LYS 18 HG3 LYS 18 -6.975 6.949 -1.536
131 HD2 LYS 18 HD2 LYS 18 -8.316 6.322 0.410
132 HD3 LYS 18 HD3 LYS 18 -7.619 4.908 -0.376
133 HE2 LYS 18 HE2 LYS 18 -5.849 4.845 1.316
134 HE3 LYS 18 HE3 LYS 18 -6.549 6.261 2.099
135 HZ1 LYS 18 HZ1 LYS 18 -8.543 4.994 2.548
136 HZ2 LYS 18 HZ2 LYS 18 -7.197 4.198 3.190
137 HZ3 LYS 18 HZ3 LYS 18 -7.905 3.642 1.754
138 H LYS 19 H LYS 19 -3.758 5.228 -3.696
139 HA LYS 19 HA LYS 19 -5.648 6.242 -5.566
140 HB2 LYS 19 HB2 LYS 19 -3.270 6.867 -5.651
141 HB3 LYS 19 HB3 LYS 19 -2.837 5.203 -6.002
142 HG2 LYS 19 HG2 LYS 19 -2.777 6.580 -8.005
143 HG3 LYS 19 HG3 LYS 19 -4.004 5.323 -8.129
144 HD2 LYS 19 HD2 LYS 19 -5.032 7.245 -8.990
145 HD3 LYS 19 HD3 LYS 19 -5.666 7.099 -7.356
146 HE2 LYS 19 HE2 LYS 19 -3.310 8.843 -8.033
147 HE3 LYS 19 HE3 LYS 19 -4.970 9.419 -8.132
148 HZ1 LYS 19 HZ1 LYS 19 -4.137 10.051 -6.039
149 HZ2 LYS 19 HZ2 LYS 19 -3.512 8.519 -5.718
150 HZ3 LYS 19 HZ3 LYS 19 -5.185 8.758 -5.740
151 H ALA 20 H ALA 20 -4.366 3.111 -4.780
152 HA ALA 20 HA ALA 20 -5.470 1.731 -7.026
153 HB1 ALA 20 HB1 ALA 20 -3.588 0.881 -5.593
154 HB2 ALA 20 HB2 ALA 20 -4.887 -0.278 -5.877
155 HB3 ALA 20 HB3 ALA 20 -4.781 0.566 -4.332
156 H GLY 21 H GLY 21 -6.518 2.486 -3.754
157 HA2 GLY 21 HA2 GLY 21 -8.871 3.177 -3.594
158 HA3 GLY 21 HA3 GLY 21 -9.258 1.796 -4.604
159 H MET 22 H MET 22 -6.872 1.344 -2.163
160 HA MET 22 HA MET 22 -8.825 -0.284 -0.693
161 HB2 MET 22 HB2 MET 22 -5.821 -0.490 -0.850
162 HB3 MET 22 HB3 MET 22 -6.794 -1.416 0.283
163 HG2 MET 22 HG2 MET 22 -6.361 -2.840 -1.535
164 HG3 MET 22 HG3 MET 22 -8.039 -2.329 -1.699
165 HE1 MET 22 HE1 MET 22 -8.101 -3.148 -4.208
166 HE2 MET 22 HE2 MET 22 -6.430 -3.695 -4.074
167 HE3 MET 22 HE3 MET 22 -6.919 -2.673 -5.427
168 H ARG 23 H ARG 23 -7.644 -0.614 1.736
169 HA ARG 23 HA ARG 23 -8.179 2.032 2.837
170 HB2 ARG 23 HB2 ARG 23 -8.032 -0.696 4.124
171 HB3 ARG 23 HB3 ARG 23 -8.317 0.785 5.024
172 HG2 ARG 23 HG2 ARG 23 -10.296 1.146 3.456
173 HG3 ARG 23 HG3 ARG 23 -10.071 -0.541 3.000
174 HD2 ARG 23 HD2 ARG 23 -10.379 0.323 5.859
175 HD3 ARG 23 HD3 ARG 23 -11.758 -0.071 4.837
176 HE ARG 23 HE ARG 23 -10.193 -2.247 4.569
177 HH11 ARG 23 HH11 ARG 23 -11.325 -0.512 7.400
178 HH12 ARG 23 HH12 ARG 23 -11.400 -1.934 8.391
179 HH21 ARG 23 HH21 ARG 23 -10.290 -4.101 5.862
180 HH22 ARG 23 HH22 ARG 23 -10.820 -3.984 7.512
181 H PHE 24 H PHE 24 -5.835 -0.577 3.365
182 HA PHE 24 HA PHE 24 -3.798 1.438 3.998
183 HB2 PHE 24 HB2 PHE 24 -3.359 -0.888 5.611
184 HB3 PHE 24 HB3 PHE 24 -3.589 0.780 6.139
185 HD1 PHE 24 HD1 PHE 24 -5.418 -2.196 5.023
186 HD2 PHE 24 HD2 PHE 24 -5.472 1.273 7.450
187 HE1 PHE 24 HE1 PHE 24 -7.550 -2.931 5.973
188 HE2 PHE 24 HE2 PHE 24 -7.616 0.560 8.432
189 HZ PHE 24 HZ PHE 24 -8.660 -1.550 7.699
190 H GLY 25 H GLY 25 -1.617 0.562 3.910
191 HA2 GLY 25 HA2 GLY 25 -1.412 -1.754 2.096
192 HA3 GLY 25 HA3 GLY 25 -0.420 -0.311 1.906
193 H LYS 26 H LYS 26 0.727 -2.813 2.160
194 HA LYS 26 HA LYS 26 2.134 -2.477 4.706
195 HB2 LYS 26 HB2 LYS 26 0.335 -4.412 4.606
196 HB3 LYS 26 HB3 LYS 26 1.588 -5.237 3.691
197 HG2 LYS 26 HG2 LYS 26 1.764 -5.907 5.967
198 HG3 LYS 26 HG3 LYS 26 3.140 -4.868 5.594
199 HD2 LYS 26 HD2 LYS 26 2.039 -2.984 6.656
200 HD3 LYS 26 HD3 LYS 26 0.605 -3.964 6.958
201 HE2 LYS 26 HE2 LYS 26 1.995 -5.467 8.358
202 HE3 LYS 26 HE3 LYS 26 3.352 -4.367 8.130
203 HZ1 LYS 26 HZ1 LYS 26 2.077 -2.622 9.195
204 HZ2 LYS 26 HZ2 LYS 26 2.202 -3.962 10.219
205 HZ3 LYS 26 HZ3 LYS 26 0.761 -3.663 9.390
206 H CYS 27 H CYS 27 4.323 -3.081 4.599
207 HA CYS 27 HA CYS 27 5.325 -3.078 1.863
208 HB2 CYS 27 HB2 CYS 27 6.228 -1.433 3.502
209 HB3 CYS 27 HB3 CYS 27 6.878 -2.773 4.441
210 H ILE 28 H ILE 28 5.438 -5.012 1.000
211 HA ILE 28 HA ILE 28 6.372 -7.258 2.626
212 HB ILE 28 HB ILE 28 4.928 -7.085 -0.037
213 HG12 ILE 28 HG12 ILE 28 4.197 -7.973 2.733
214 HG13 ILE 28 HG13 ILE 28 3.437 -6.741 1.734
215 HG21 ILE 28 HG21 ILE 28 4.714 -9.565 0.088
216 HG22 ILE 28 HG22 ILE 28 6.000 -9.559 1.296
217 HG23 ILE 28 HG23 ILE 28 6.318 -8.986 -0.342
218 HD11 ILE 28 HD11 ILE 28 2.591 -8.485 0.246
219 HD12 ILE 28 HD12 ILE 28 2.039 -8.708 1.906
220 HD13 ILE 28 HD13 ILE 28 3.340 -9.711 1.265
221 H ASN 29 H ASN 29 7.658 -8.728 0.439
222 HA ASN 29 HA ASN 29 10.206 -7.549 0.503
223 HB2 ASN 29 HB2 ASN 29 10.945 -9.357 -0.890
224 HB3 ASN 29 HB3 ASN 29 9.761 -9.986 0.243
225 HD21 ASN 29 HD21 ASN 29 7.567 -8.738 -1.405
226 HD22 ASN 29 HD22 ASN 29 7.366 -9.818 -2.734
227 H GLY 30 H GLY 30 8.622 -5.525 -0.520
228 HA2 GLY 30 HA2 GLY 30 9.708 -3.940 -2.052
229 HA3 GLY 30 HA3 GLY 30 9.777 -5.243 -3.220
230 H LYS 31 H LYS 31 6.836 -5.562 -1.737
231 HA LYS 31 HA LYS 31 5.568 -3.919 -3.827
232 HB2 LYS 31 HB2 LYS 31 3.885 -5.665 -4.072
233 HB3 LYS 31 HB3 LYS 31 5.497 -6.319 -4.345
234 HG2 LYS 31 HG2 LYS 31 5.531 -7.331 -2.185
235 HG3 LYS 31 HG3 LYS 31 4.023 -6.536 -1.738
236 HD2 LYS 31 HD2 LYS 31 3.683 -8.884 -2.314
237 HD3 LYS 31 HD3 LYS 31 2.826 -7.811 -3.422
238 HE2 LYS 31 HE2 LYS 31 4.604 -8.087 -5.070
239 HE3 LYS 31 HE3 LYS 31 5.489 -9.128 -3.955
240 HZ1 LYS 31 HZ1 LYS 31 2.812 -9.697 -5.099
241 HZ2 LYS 31 HZ2 LYS 31 3.655 -10.696 -4.029
242 HZ3 LYS 31 HZ3 LYS 31 4.264 -10.416 -5.580
243 H CYS 32 H CYS 32 3.402 -3.205 -3.369
244 HA CYS 32 HA CYS 32 2.880 -2.881 -0.506
245 HB2 CYS 32 HB2 CYS 32 2.265 -1.267 -2.902
246 HB3 CYS 32 HB3 CYS 32 0.976 -1.365 -1.708
247 H ASP 33 H ASP 33 2.077 -5.002 -0.176
248 HA ASP 33 HA ASP 33 -0.401 -5.751 -1.420
249 HB2 ASP 33 HB2 ASP 33 0.969 -7.536 -0.645
250 HB3 ASP 33 HB3 ASP 33 1.110 -6.820 0.959
251 H CYS 34 H CYS 34 -2.375 -5.143 -0.825
252 HA CYS 34 HA CYS 34 -2.541 -3.299 1.455
253 HB2 CYS 34 HB2 CYS 34 -4.067 -3.451 -1.138
254 HB3 CYS 34 HB3 CYS 34 -4.558 -2.421 0.200
255 H THR 35 H THR 35 -4.671 -3.120 2.518
256 HA THR 35 HA THR 35 -6.283 -5.568 2.286
257 HB THR 35 HB THR 35 -5.963 -3.789 4.718
258 HG1 THR 35 HG1 THR 35 -4.849 -6.243 3.931
259 HG21 THR 35 HG21 THR 35 -8.247 -4.868 4.249
260 HG22 THR 35 HG22 THR 35 -7.515 -5.159 5.832
261 HG23 THR 35 HG23 THR 35 -7.441 -6.404 4.584
262 HA PRO 36 HA PRO 36 -9.118 -2.480 0.804
263 HB2 PRO 36 HB2 PRO 36 -10.931 -4.140 -0.235
264 HB3 PRO 36 HB3 PRO 36 -9.321 -4.000 -0.947
265 HG2 PRO 36 HG2 PRO 36 -10.438 -6.134 0.809
266 HG3 PRO 36 HG3 PRO 36 -9.332 -6.274 -0.567
267 HD2 PRO 36 HD2 PRO 36 -8.596 -6.263 2.132
268 HD3 PRO 36 HD3 PRO 36 -7.507 -5.998 0.760
269 H LYS 37 H LYS 37 -11.844 -2.946 0.760
270 HA LYS 37 HA LYS 37 -12.477 -2.663 3.579
271 HB2 LYS 37 HB2 LYS 37 -14.805 -2.092 2.598
272 HB3 LYS 37 HB3 LYS 37 -13.498 -0.935 2.417
273 HG2 LYS 37 HG2 LYS 37 -13.881 -2.883 0.221
274 HG3 LYS 37 HG3 LYS 37 -15.107 -1.631 0.417
275 HD2 LYS 37 HD2 LYS 37 -13.292 0.071 0.376
276 HD3 LYS 37 HD3 LYS 37 -12.142 -1.222 0.025
277 HE2 LYS 37 HE2 LYS 37 -13.239 -1.719 -2.047
278 HE3 LYS 37 HE3 LYS 37 -14.555 -0.607 -1.673
279 HZ1 LYS 37 HZ1 LYS 37 -11.720 0.144 -2.156
280 HZ2 LYS 37 HZ2 LYS 37 -12.963 1.220 -1.749
281 HZ3 LYS 37 HZ3 LYS 37 -13.017 0.389 -3.219
Start of MODEL 14
1 H1 VAL 1 H1 VAL 1 -5.414 -8.918 -4.787
2 H2 VAL 1 H2 VAL 1 -6.809 -8.532 -3.913
3 H3 VAL 1 H3 VAL 1 -5.431 -9.086 -3.107
4 HA VAL 1 HA VAL 1 -5.605 -6.567 -4.636
5 HB VAL 1 HB VAL 1 -5.340 -5.484 -2.372
6 HG11 VAL 1 HG11 VAL 1 -7.670 -5.419 -1.938
7 HG12 VAL 1 HG12 VAL 1 -7.920 -7.006 -2.666
8 HG13 VAL 1 HG13 VAL 1 -7.482 -5.629 -3.678
9 HG21 VAL 1 HG21 VAL 1 -4.617 -7.447 -1.124
10 HG22 VAL 1 HG22 VAL 1 -6.182 -8.212 -1.398
11 HG23 VAL 1 HG23 VAL 1 -6.074 -6.754 -0.413
12 H GLY 2 H GLY 2 -3.799 -5.082 -3.652
13 HA2 GLY 2 HA2 GLY 2 -1.504 -5.041 -2.841
14 HA3 GLY 2 HA3 GLY 2 -1.323 -6.676 -3.464
15 H ILE 3 H ILE 3 -0.277 -3.698 -4.021
16 HA ILE 3 HA ILE 3 -0.576 -3.855 -6.948
17 HB ILE 3 HB ILE 3 -0.477 -1.549 -7.100
18 HG12 ILE 3 HG12 ILE 3 0.880 -1.582 -4.400
19 HG13 ILE 3 HG13 ILE 3 1.589 -1.144 -5.944
20 HG21 ILE 3 HG21 ILE 3 -1.980 -0.627 -5.367
21 HG22 ILE 3 HG22 ILE 3 -1.750 -2.095 -4.420
22 HG23 ILE 3 HG23 ILE 3 -2.532 -2.176 -5.998
23 HD11 ILE 3 HD11 ILE 3 -0.332 0.392 -4.264
24 HD12 ILE 3 HD12 ILE 3 -0.104 0.763 -5.971
25 HD13 ILE 3 HD13 ILE 3 1.255 0.876 -4.851
26 H ASN 4 H ASN 4 1.346 -2.577 -7.998
27 HA ASN 4 HA ASN 4 3.808 -3.884 -7.043
28 HB2 ASN 4 HB2 ASN 4 2.933 -4.601 -9.283
29 HB3 ASN 4 HB3 ASN 4 3.136 -2.950 -9.849
30 HD21 ASN 4 HD21 ASN 4 4.334 -5.450 -10.770
31 HD22 ASN 4 HD22 ASN 4 6.047 -5.217 -10.687
32 H VAL 5 H VAL 5 4.765 -2.364 -5.808
33 HA VAL 5 HA VAL 5 5.273 0.266 -6.977
34 HB VAL 5 HB VAL 5 3.119 0.196 -5.549
35 HG11 VAL 5 HG11 VAL 5 3.439 0.461 -3.160
36 HG12 VAL 5 HG12 VAL 5 5.159 0.140 -3.343
37 HG13 VAL 5 HG13 VAL 5 3.980 -1.118 -3.717
38 HG21 VAL 5 HG21 VAL 5 3.419 2.426 -4.788
39 HG22 VAL 5 HG22 VAL 5 4.345 2.257 -6.279
40 HG23 VAL 5 HG23 VAL 5 5.167 2.237 -4.721
41 H ASP 6 H ASP 6 6.548 1.517 -5.013
42 HA ASP 6 HA ASP 6 8.627 -0.362 -4.130
43 HB2 ASP 6 HB2 ASP 6 9.057 2.330 -5.387
44 HB3 ASP 6 HB3 ASP 6 10.294 1.424 -4.531
45 H CYS 7 H CYS 7 7.948 -0.377 -2.125
46 HA CYS 7 HA CYS 7 7.788 2.092 -0.587
47 HB2 CYS 7 HB2 CYS 7 7.158 0.447 1.283
48 HB3 CYS 7 HB3 CYS 7 6.001 0.693 -0.011
49 H LYS 8 H LYS 8 9.404 2.765 0.701
50 HA LYS 8 HA LYS 8 11.630 1.017 1.293
51 HB2 LYS 8 HB2 LYS 8 11.972 3.453 0.932
52 HB3 LYS 8 HB3 LYS 8 10.960 3.785 2.327
53 HG2 LYS 8 HG2 LYS 8 13.263 3.988 2.946
54 HG3 LYS 8 HG3 LYS 8 12.551 2.583 3.742
55 HD2 LYS 8 HD2 LYS 8 13.514 1.154 1.947
56 HD3 LYS 8 HD3 LYS 8 14.333 2.580 1.309
57 HE2 LYS 8 HE2 LYS 8 15.863 1.326 2.685
58 HE3 LYS 8 HE3 LYS 8 15.474 2.850 3.481
59 HZ1 LYS 8 HZ1 LYS 8 15.443 1.019 5.041
60 HZ2 LYS 8 HZ2 LYS 8 14.286 0.203 4.117
61 HZ3 LYS 8 HZ3 LYS 8 13.886 1.662 4.874
62 H HIS 9 H HIS 9 8.584 1.751 2.482
63 HA HIS 9 HA HIS 9 8.715 0.018 4.715
64 HB2 HIS 9 HB2 HIS 9 8.115 1.889 6.404
65 HB3 HIS 9 HB3 HIS 9 9.807 1.672 5.979
66 HD1 HIS 9 HD1 HIS 9 10.976 3.572 4.774
67 HD2 HIS 9 HD2 HIS 9 6.926 4.264 5.389
68 HE1 HIS 9 HE1 HIS 9 10.584 5.947 4.066
69 HE2 HIS 9 HE2 HIS 9 8.189 6.418 4.718
70 H SER 10 H SER 10 6.658 -0.177 5.780
71 HA SER 10 HA SER 10 4.527 -0.228 3.955
72 HB2 SER 10 HB2 SER 10 4.765 -1.782 5.838
73 HB3 SER 10 HB3 SER 10 4.491 -0.468 6.971
74 HG SER 10 HG SER 10 2.437 -0.263 5.554
75 H GLY 11 H GLY 11 5.454 2.168 6.339
76 HA2 GLY 11 HA2 GLY 11 3.043 3.517 6.675
77 HA3 GLY 11 HA3 GLY 11 4.629 4.253 6.821
78 H GLN 12 H GLN 12 5.320 3.721 4.002
79 HA GLN 12 HA GLN 12 3.959 6.073 2.950
80 HB2 GLN 12 HB2 GLN 12 5.721 6.253 1.371
81 HB3 GLN 12 HB3 GLN 12 6.472 5.831 2.903
82 HG2 GLN 12 HG2 GLN 12 6.626 3.503 2.183
83 HG3 GLN 12 HG3 GLN 12 5.884 3.933 0.641
84 HE21 GLN 12 HE21 GLN 12 7.060 5.209 -0.823
85 HE22 GLN 12 HE22 GLN 12 8.781 5.346 -0.714
86 H CYS 13 H CYS 13 3.237 2.928 2.955
87 HA CYS 13 HA CYS 13 2.812 2.528 0.112
88 HB2 CYS 13 HB2 CYS 13 3.245 0.807 2.237
89 HB3 CYS 13 HB3 CYS 13 1.528 0.613 1.913
90 H LEU 14 H LEU 14 1.231 4.021 2.613
91 HA LEU 14 HA LEU 14 -1.449 3.273 2.239
92 HB2 LEU 14 HB2 LEU 14 -0.307 5.868 3.256
93 HB3 LEU 14 HB3 LEU 14 -1.959 5.343 3.454
94 HG LEU 14 HG LEU 14 0.498 4.104 4.684
95 HD11 LEU 14 HD11 LEU 14 -0.242 6.129 5.781
96 HD12 LEU 14 HD12 LEU 14 -0.574 4.724 6.794
97 HD13 LEU 14 HD13 LEU 14 -1.883 5.493 5.896
98 HD21 LEU 14 HD21 LEU 14 -0.976 2.311 4.090
99 HD22 LEU 14 HD22 LEU 14 -2.364 3.168 4.759
100 HD23 LEU 14 HD23 LEU 14 -1.091 2.582 5.829
101 H LYS 15 H LYS 15 0.325 6.116 1.085
102 HA LYS 15 HA LYS 15 -1.683 7.406 -0.257
103 HB2 LYS 15 HB2 LYS 15 0.843 8.000 0.193
104 HB3 LYS 15 HB3 LYS 15 1.054 7.395 -1.441
105 HG2 LYS 15 HG2 LYS 15 -0.891 9.557 -0.702
106 HG3 LYS 15 HG3 LYS 15 0.756 9.867 -1.245
107 HD2 LYS 15 HD2 LYS 15 0.278 8.759 -3.362
108 HD3 LYS 15 HD3 LYS 15 -1.360 8.398 -2.818
109 HE2 LYS 15 HE2 LYS 15 -1.840 10.785 -2.659
110 HE3 LYS 15 HE3 LYS 15 -0.196 11.158 -3.171
111 HZ1 LYS 15 HZ1 LYS 15 -0.662 10.054 -5.284
112 HZ2 LYS 15 HZ2 LYS 15 -1.718 11.344 -5.012
113 HZ3 LYS 15 HZ3 LYS 15 -2.255 9.757 -4.793
114 HA PRO 16 HA PRO 16 -0.714 5.192 -4.405
115 HB2 PRO 16 HB2 PRO 16 0.729 2.893 -4.386
116 HB3 PRO 16 HB3 PRO 16 1.468 4.486 -4.584
117 HG2 PRO 16 HG2 PRO 16 1.252 2.782 -2.136
118 HG3 PRO 16 HG3 PRO 16 2.637 3.726 -2.724
119 HD2 PRO 16 HD2 PRO 16 1.014 4.617 -0.740
120 HD3 PRO 16 HD3 PRO 16 1.803 5.711 -1.885
121 H CYS 17 H CYS 17 -1.122 3.282 -1.525
122 HA CYS 17 HA CYS 17 -2.720 1.232 -2.673
123 HB2 CYS 17 HB2 CYS 17 -1.522 1.049 -0.496
124 HB3 CYS 17 HB3 CYS 17 -2.647 2.218 0.187
125 H LYS 18 H LYS 18 -3.353 4.368 -1.238
126 HA LYS 18 HA LYS 18 -6.203 4.162 -1.275
127 HB2 LYS 18 HB2 LYS 18 -4.284 6.472 -1.022
128 HB3 LYS 18 HB3 LYS 18 -6.025 6.714 -1.067
129 HG2 LYS 18 HG2 LYS 18 -4.671 4.923 0.931
130 HG3 LYS 18 HG3 LYS 18 -4.970 6.638 1.217
131 HD2 LYS 18 HD2 LYS 18 -7.130 4.655 0.511
132 HD3 LYS 18 HD3 LYS 18 -6.702 5.091 2.166
133 HE2 LYS 18 HE2 LYS 18 -7.233 7.431 1.685
134 HE3 LYS 18 HE3 LYS 18 -7.658 6.996 0.031
135 HZ1 LYS 18 HZ1 LYS 18 -9.601 7.214 1.474
136 HZ2 LYS 18 HZ2 LYS 18 -9.020 5.969 2.458
137 HZ3 LYS 18 HZ3 LYS 18 -9.453 5.648 0.858
138 H LYS 19 H LYS 19 -3.747 5.255 -3.504
139 HA LYS 19 HA LYS 19 -5.528 6.393 -5.411
140 HB2 LYS 19 HB2 LYS 19 -3.109 6.921 -5.335
141 HB3 LYS 19 HB3 LYS 19 -2.747 5.270 -5.815
142 HG2 LYS 19 HG2 LYS 19 -3.782 5.609 -7.958
143 HG3 LYS 19 HG3 LYS 19 -4.337 7.212 -7.479
144 HD2 LYS 19 HD2 LYS 19 -2.387 7.437 -8.876
145 HD3 LYS 19 HD3 LYS 19 -1.970 7.905 -7.228
146 HE2 LYS 19 HE2 LYS 19 -0.188 6.569 -8.108
147 HE3 LYS 19 HE3 LYS 19 -1.033 5.628 -6.882
148 HZ1 LYS 19 HZ1 LYS 19 -1.346 5.362 -9.823
149 HZ2 LYS 19 HZ2 LYS 19 -2.234 4.492 -8.676
150 HZ3 LYS 19 HZ3 LYS 19 -0.562 4.271 -8.797
151 H ALA 20 H ALA 20 -4.319 3.196 -4.747
152 HA ALA 20 HA ALA 20 -5.202 2.008 -7.181
153 HB1 ALA 20 HB1 ALA 20 -3.411 1.040 -5.788
154 HB2 ALA 20 HB2 ALA 20 -4.712 -0.108 -6.114
155 HB3 ALA 20 HB3 ALA 20 -4.606 0.682 -4.542
156 H GLY 21 H GLY 21 -6.473 1.926 -3.839
157 HA2 GLY 21 HA2 GLY 21 -9.003 2.550 -4.075
158 HA3 GLY 21 HA3 GLY 21 -9.040 1.017 -4.922
159 H MET 22 H MET 22 -6.785 1.042 -2.371
160 HA MET 22 HA MET 22 -8.723 -0.446 -0.734
161 HB2 MET 22 HB2 MET 22 -5.709 -0.623 -0.798
162 HB3 MET 22 HB3 MET 22 -6.716 -1.451 0.378
163 HG2 MET 22 HG2 MET 22 -6.215 -3.053 -1.246
164 HG3 MET 22 HG3 MET 22 -7.867 -2.551 -1.586
165 HE1 MET 22 HE1 MET 22 -4.134 -2.386 -2.654
166 HE2 MET 22 HE2 MET 22 -4.473 -0.671 -2.425
167 HE3 MET 22 HE3 MET 22 -4.171 -1.302 -4.042
168 H ARG 23 H ARG 23 -7.585 -0.437 1.723
169 HA ARG 23 HA ARG 23 -7.945 2.385 2.438
170 HB2 ARG 23 HB2 ARG 23 -8.249 -0.164 4.030
171 HB3 ARG 23 HB3 ARG 23 -8.362 1.433 4.750
172 HG2 ARG 23 HG2 ARG 23 -10.199 1.922 3.108
173 HG3 ARG 23 HG3 ARG 23 -10.152 0.214 2.682
174 HD2 ARG 23 HD2 ARG 23 -10.549 1.171 5.501
175 HD3 ARG 23 HD3 ARG 23 -11.891 0.888 4.392
176 HE ARG 23 HE ARG 23 -10.452 -1.425 4.305
177 HH11 ARG 23 HH11 ARG 23 -11.966 0.431 6.864
178 HH12 ARG 23 HH12 ARG 23 -12.245 -0.957 7.866
179 HH21 ARG 23 HH21 ARG 23 -10.818 -3.226 5.608
180 HH22 ARG 23 HH22 ARG 23 -11.590 -3.042 7.152
181 H PHE 24 H PHE 24 -6.020 -0.394 3.497
182 HA PHE 24 HA PHE 24 -3.856 1.464 4.226
183 HB2 PHE 24 HB2 PHE 24 -3.703 -0.997 5.707
184 HB3 PHE 24 HB3 PHE 24 -3.807 0.652 6.318
185 HD1 PHE 24 HD1 PHE 24 -5.896 -2.049 4.908
186 HD2 PHE 24 HD2 PHE 24 -5.693 1.264 7.554
187 HE1 PHE 24 HE1 PHE 24 -8.156 -2.564 5.695
188 HE2 PHE 24 HE2 PHE 24 -7.967 0.758 8.357
189 HZ PHE 24 HZ PHE 24 -9.199 -1.159 7.433
190 H GLY 25 H GLY 25 -1.719 0.512 4.164
191 HA2 GLY 25 HA2 GLY 25 -1.506 -1.740 2.283
192 HA3 GLY 25 HA3 GLY 25 -0.690 -0.223 1.928
193 H LYS 26 H LYS 26 0.450 -2.873 2.345
194 HA LYS 26 HA LYS 26 2.262 -2.176 4.541
195 HB2 LYS 26 HB2 LYS 26 0.684 -4.059 5.162
196 HB3 LYS 26 HB3 LYS 26 1.435 -4.996 3.878
197 HG2 LYS 26 HG2 LYS 26 3.608 -4.770 4.996
198 HG3 LYS 26 HG3 LYS 26 2.819 -3.899 6.311
199 HD2 LYS 26 HD2 LYS 26 1.444 -5.861 6.792
200 HD3 LYS 26 HD3 LYS 26 2.212 -6.730 5.461
201 HE2 LYS 26 HE2 LYS 26 3.631 -5.647 7.892
202 HE3 LYS 26 HE3 LYS 26 3.164 -7.330 7.652
203 HZ1 LYS 26 HZ1 LYS 26 4.630 -7.464 5.765
204 HZ2 LYS 26 HZ2 LYS 26 5.502 -6.898 7.099
205 HZ3 LYS 26 HZ3 LYS 26 5.022 -5.822 5.891
206 H CYS 27 H CYS 27 4.401 -2.862 4.250
207 HA CYS 27 HA CYS 27 5.108 -3.106 1.423
208 HB2 CYS 27 HB2 CYS 27 6.139 -1.322 2.903
209 HB3 CYS 27 HB3 CYS 27 6.980 -2.622 3.743
210 H ILE 28 H ILE 28 5.534 -5.061 0.632
211 HA ILE 28 HA ILE 28 6.540 -7.073 2.526
212 HB ILE 28 HB ILE 28 4.530 -7.476 0.295
213 HG12 ILE 28 HG12 ILE 28 4.364 -7.357 3.292
214 HG13 ILE 28 HG13 ILE 28 3.413 -6.483 2.098
215 HG21 ILE 28 HG21 ILE 28 4.476 -9.731 0.671
216 HG22 ILE 28 HG22 ILE 28 5.224 -9.608 2.265
217 HG23 ILE 28 HG23 ILE 28 6.206 -9.409 0.813
218 HD11 ILE 28 HD11 ILE 28 2.275 -8.560 1.499
219 HD12 ILE 28 HD12 ILE 28 2.080 -8.165 3.207
220 HD13 ILE 28 HD13 ILE 28 3.218 -9.421 2.715
221 H ASN 29 H ASN 29 6.330 -8.464 -0.524
222 HA ASN 29 HA ASN 29 9.221 -8.214 -0.766
223 HB2 ASN 29 HB2 ASN 29 8.940 -10.087 -2.459
224 HB3 ASN 29 HB3 ASN 29 8.527 -10.471 -0.797
225 HD21 ASN 29 HD21 ASN 29 6.496 -8.627 -2.989
226 HD22 ASN 29 HD22 ASN 29 5.251 -9.821 -3.136
227 H GLY 30 H GLY 30 8.209 -5.888 -1.433
228 HA2 GLY 30 HA2 GLY 30 8.617 -4.367 -3.169
229 HA3 GLY 30 HA3 GLY 30 8.721 -5.717 -4.294
230 H LYS 31 H LYS 31 6.055 -5.971 -2.268
231 HA LYS 31 HA LYS 31 4.308 -4.765 -4.307
232 HB2 LYS 31 HB2 LYS 31 2.685 -6.506 -3.881
233 HB3 LYS 31 HB3 LYS 31 4.231 -7.265 -4.244
234 HG2 LYS 31 HG2 LYS 31 4.627 -7.669 -1.894
235 HG3 LYS 31 HG3 LYS 31 3.134 -6.830 -1.476
236 HD2 LYS 31 HD2 LYS 31 3.291 -9.331 -3.152
237 HD3 LYS 31 HD3 LYS 31 2.942 -9.293 -1.427
238 HE2 LYS 31 HE2 LYS 31 0.967 -7.860 -1.920
239 HE3 LYS 31 HE3 LYS 31 1.295 -8.072 -3.637
240 HZ1 LYS 31 HZ1 LYS 31 -0.398 -9.612 -2.833
241 HZ2 LYS 31 HZ2 LYS 31 0.700 -10.270 -1.729
242 HZ3 LYS 31 HZ3 LYS 31 0.967 -10.441 -3.391
243 H CYS 32 H CYS 32 2.499 -3.660 -3.544
244 HA CYS 32 HA CYS 32 2.545 -2.983 -0.701
245 HB2 CYS 32 HB2 CYS 32 2.166 -1.291 -2.700
246 HB3 CYS 32 HB3 CYS 32 0.518 -1.900 -2.624
247 H ASP 33 H ASP 33 1.861 -5.075 0.030
248 HA ASP 33 HA ASP 33 -0.646 -6.133 -0.886
249 HB2 ASP 33 HB2 ASP 33 1.229 -7.531 0.011
250 HB3 ASP 33 HB3 ASP 33 0.902 -6.873 1.607
251 H CYS 34 H CYS 34 -2.448 -5.156 -0.445
252 HA CYS 34 HA CYS 34 -2.629 -3.464 1.940
253 HB2 CYS 34 HB2 CYS 34 -3.974 -3.387 -0.749
254 HB3 CYS 34 HB3 CYS 34 -4.550 -2.434 0.610
255 H THR 35 H THR 35 -4.873 -3.119 2.758
256 HA THR 35 HA THR 35 -6.619 -5.448 2.360
257 HB THR 35 HB THR 35 -6.327 -3.763 4.864
258 HG1 THR 35 HG1 THR 35 -5.844 -6.538 4.402
259 HG21 THR 35 HG21 THR 35 -8.682 -4.549 4.201
260 HG22 THR 35 HG22 THR 35 -8.108 -4.964 5.820
261 HG23 THR 35 HG23 THR 35 -8.089 -6.178 4.540
262 HA PRO 36 HA PRO 36 -9.050 -2.199 0.598
263 HB2 PRO 36 HB2 PRO 36 -10.994 -3.722 -0.412
264 HB3 PRO 36 HB3 PRO 36 -9.351 -3.815 -1.039
265 HG2 PRO 36 HG2 PRO 36 -10.771 -5.646 0.845
266 HG3 PRO 36 HG3 PRO 36 -9.690 -6.042 -0.502
267 HD2 PRO 36 HD2 PRO 36 -8.937 -5.952 2.161
268 HD3 PRO 36 HD3 PRO 36 -7.826 -5.810 0.789
269 H LYS 37 H LYS 37 -11.845 -2.361 0.436
270 HA LYS 37 HA LYS 37 -12.556 -1.742 3.191
271 HB2 LYS 37 HB2 LYS 37 -14.067 -1.308 0.612
272 HB3 LYS 37 HB3 LYS 37 -14.679 -0.873 2.198
273 HG2 LYS 37 HG2 LYS 37 -13.847 1.137 1.556
274 HG3 LYS 37 HG3 LYS 37 -12.406 0.468 2.318
275 HD2 LYS 37 HD2 LYS 37 -11.706 1.399 0.257
276 HD3 LYS 37 HD3 LYS 37 -11.727 -0.350 0.023
277 HE2 LYS 37 HE2 LYS 37 -13.940 -0.161 -1.036
278 HE3 LYS 37 HE3 LYS 37 -13.880 1.586 -0.827
279 HZ1 LYS 37 HZ1 LYS 37 -13.244 0.900 -3.065
280 HZ2 LYS 37 HZ2 LYS 37 -11.965 -0.008 -2.440
281 HZ3 LYS 37 HZ3 LYS 37 -11.964 1.672 -2.275
Start of MODEL 15
1 H1 VAL 1 H1 VAL 1 -5.236 -9.194 -3.099
2 H2 VAL 1 H2 VAL 1 -4.969 -8.954 -4.747
3 H3 VAL 1 H3 VAL 1 -6.493 -8.645 -4.086
4 HA VAL 1 HA VAL 1 -5.328 -6.599 -4.507
5 HB VAL 1 HB VAL 1 -5.289 -5.686 -2.135
6 HG11 VAL 1 HG11 VAL 1 -7.660 -5.669 -1.956
7 HG12 VAL 1 HG12 VAL 1 -7.800 -7.192 -2.838
8 HG13 VAL 1 HG13 VAL 1 -7.280 -5.733 -3.678
9 HG21 VAL 1 HG21 VAL 1 -4.679 -7.744 -0.987
10 HG22 VAL 1 HG22 VAL 1 -6.187 -8.496 -1.505
11 HG23 VAL 1 HG23 VAL 1 -6.221 -7.132 -0.389
12 H GLY 2 H GLY 2 -3.686 -5.106 -3.275
13 HA2 GLY 2 HA2 GLY 2 -1.442 -4.962 -2.403
14 HA3 GLY 2 HA3 GLY 2 -1.152 -6.585 -3.023
15 H ILE 3 H ILE 3 -0.465 -3.435 -3.562
16 HA ILE 3 HA ILE 3 -1.143 -3.367 -6.384
17 HB ILE 3 HB ILE 3 -0.689 -1.045 -6.301
18 HG12 ILE 3 HG12 ILE 3 0.622 -1.558 -3.623
19 HG13 ILE 3 HG13 ILE 3 1.467 -1.174 -5.116
20 HG21 ILE 3 HG21 ILE 3 -2.042 -0.330 -4.339
21 HG22 ILE 3 HG22 ILE 3 -1.920 -1.966 -3.703
22 HG23 ILE 3 HG23 ILE 3 -2.756 -1.672 -5.225
23 HD11 ILE 3 HD11 ILE 3 -0.421 0.612 -3.624
24 HD12 ILE 3 HD12 ILE 3 0.352 1.009 -5.154
25 HD13 ILE 3 HD13 ILE 3 1.330 0.771 -3.705
26 H ASN 4 H ASN 4 0.567 -2.105 -7.715
27 HA ASN 4 HA ASN 4 3.055 -3.663 -7.531
28 HB2 ASN 4 HB2 ASN 4 1.609 -4.013 -9.561
29 HB3 ASN 4 HB3 ASN 4 1.874 -2.324 -9.978
30 HD21 ASN 4 HD21 ASN 4 3.326 -5.473 -9.714
31 HD22 ASN 4 HD22 ASN 4 4.737 -5.118 -10.646
32 H VAL 5 H VAL 5 4.236 -2.321 -6.251
33 HA VAL 5 HA VAL 5 4.946 0.308 -7.285
34 HB VAL 5 HB VAL 5 2.860 0.301 -5.626
35 HG11 VAL 5 HG11 VAL 5 3.472 0.626 -3.328
36 HG12 VAL 5 HG12 VAL 5 5.162 0.298 -3.708
37 HG13 VAL 5 HG13 VAL 5 3.954 -0.974 -3.890
38 HG21 VAL 5 HG21 VAL 5 3.451 2.551 -4.898
39 HG22 VAL 5 HG22 VAL 5 3.879 2.305 -6.591
40 HG23 VAL 5 HG23 VAL 5 5.131 2.270 -5.352
41 H ASP 6 H ASP 6 6.496 1.281 -5.357
42 HA ASP 6 HA ASP 6 8.147 -0.923 -4.372
43 HB2 ASP 6 HB2 ASP 6 10.192 0.270 -4.904
44 HB3 ASP 6 HB3 ASP 6 9.243 -0.009 -6.353
45 H CYS 7 H CYS 7 7.968 -0.873 -2.299
46 HA CYS 7 HA CYS 7 7.529 1.657 -0.917
47 HB2 CYS 7 HB2 CYS 7 7.205 0.121 1.096
48 HB3 CYS 7 HB3 CYS 7 5.995 0.050 -0.167
49 H LYS 8 H LYS 8 9.027 2.664 0.225
50 HA LYS 8 HA LYS 8 11.483 1.334 0.969
51 HB2 LYS 8 HB2 LYS 8 11.423 3.778 0.462
52 HB3 LYS 8 HB3 LYS 8 10.381 4.015 1.855
53 HG2 LYS 8 HG2 LYS 8 12.116 3.267 3.331
54 HG3 LYS 8 HG3 LYS 8 13.170 2.908 1.967
55 HD2 LYS 8 HD2 LYS 8 13.199 5.272 1.357
56 HD3 LYS 8 HD3 LYS 8 12.117 5.638 2.704
57 HE2 LYS 8 HE2 LYS 8 14.486 6.129 3.212
58 HE3 LYS 8 HE3 LYS 8 13.784 4.928 4.295
59 HZ1 LYS 8 HZ1 LYS 8 16.009 4.311 3.546
60 HZ2 LYS 8 HZ2 LYS 8 15.485 4.313 1.942
61 HZ3 LYS 8 HZ3 LYS 8 14.855 3.188 3.033
62 H HIS 9 H HIS 9 8.324 1.871 2.176
63 HA HIS 9 HA HIS 9 8.561 0.056 4.310
64 HB2 HIS 9 HB2 HIS 9 8.030 1.776 6.161
65 HB3 HIS 9 HB3 HIS 9 9.707 1.620 5.652
66 HD1 HIS 9 HD1 HIS 9 10.771 3.609 4.465
67 HD2 HIS 9 HD2 HIS 9 6.795 4.221 5.497
68 HE1 HIS 9 HE1 HIS 9 10.293 6.007 3.910
69 HE2 HIS 9 HE2 HIS 9 7.988 6.425 4.853
70 H SER 10 H SER 10 6.494 0.137 5.702
71 HA SER 10 HA SER 10 4.341 0.007 3.884
72 HB2 SER 10 HB2 SER 10 2.996 -0.441 5.976
73 HB3 SER 10 HB3 SER 10 4.388 -1.499 5.728
74 HG SER 10 HG SER 10 3.999 -0.430 7.900
75 H GLY 11 H GLY 11 5.393 2.467 6.129
76 HA2 GLY 11 HA2 GLY 11 3.127 4.036 6.362
77 HA3 GLY 11 HA3 GLY 11 4.768 4.662 6.361
78 H GLN 12 H GLN 12 5.466 3.949 3.695
79 HA GLN 12 HA GLN 12 3.908 5.978 2.307
80 HB2 GLN 12 HB2 GLN 12 5.696 5.718 0.511
81 HB3 GLN 12 HB3 GLN 12 6.175 6.429 2.037
82 HG2 GLN 12 HG2 GLN 12 7.395 4.577 2.673
83 HG3 GLN 12 HG3 GLN 12 6.578 3.523 1.521
84 HE21 GLN 12 HE21 GLN 12 8.874 6.161 1.838
85 HE22 GLN 12 HE22 GLN 12 9.674 5.885 0.331
86 H CYS 13 H CYS 13 3.242 2.957 2.769
87 HA CYS 13 HA CYS 13 2.626 2.242 0.014
88 HB2 CYS 13 HB2 CYS 13 2.228 0.870 2.664
89 HB3 CYS 13 HB3 CYS 13 1.406 0.303 1.216
90 H LEU 14 H LEU 14 1.256 3.910 2.628
91 HA LEU 14 HA LEU 14 -1.449 3.222 2.424
92 HB2 LEU 14 HB2 LEU 14 -0.235 5.821 3.342
93 HB3 LEU 14 HB3 LEU 14 -1.856 5.273 3.683
94 HG LEU 14 HG LEU 14 0.710 4.049 4.690
95 HD11 LEU 14 HD11 LEU 14 0.070 6.116 5.809
96 HD12 LEU 14 HD12 LEU 14 -0.107 4.727 6.880
97 HD13 LEU 14 HD13 LEU 14 -1.531 5.453 6.134
98 HD21 LEU 14 HD21 LEU 14 -0.831 2.264 4.271
99 HD22 LEU 14 HD22 LEU 14 -2.143 3.149 5.048
100 HD23 LEU 14 HD23 LEU 14 -0.786 2.564 6.010
101 H LYS 15 H LYS 15 0.226 6.093 1.190
102 HA LYS 15 HA LYS 15 -1.937 7.266 -0.041
103 HB2 LYS 15 HB2 LYS 15 -0.064 8.605 0.357
104 HB3 LYS 15 HB3 LYS 15 1.025 7.485 -0.442
105 HG2 LYS 15 HG2 LYS 15 0.785 9.375 -1.841
106 HG3 LYS 15 HG3 LYS 15 -0.086 8.028 -2.568
107 HD2 LYS 15 HD2 LYS 15 -1.546 9.828 -2.838
108 HD3 LYS 15 HD3 LYS 15 -2.163 9.002 -1.410
109 HE2 LYS 15 HE2 LYS 15 -0.297 11.364 -1.289
110 HE3 LYS 15 HE3 LYS 15 -2.050 11.514 -1.261
111 HZ1 LYS 15 HZ1 LYS 15 -1.262 11.566 0.960
112 HZ2 LYS 15 HZ2 LYS 15 -0.334 10.173 0.752
113 HZ3 LYS 15 HZ3 LYS 15 -2.021 10.071 0.745
114 HA PRO 16 HA PRO 16 -0.703 5.352 -4.266
115 HB2 PRO 16 HB2 PRO 16 0.861 3.106 -4.252
116 HB3 PRO 16 HB3 PRO 16 1.484 4.741 -4.497
117 HG2 PRO 16 HG2 PRO 16 1.502 3.047 -2.044
118 HG3 PRO 16 HG3 PRO 16 2.733 4.169 -2.645
119 HD2 PRO 16 HD2 PRO 16 1.030 4.783 -0.614
120 HD3 PRO 16 HD3 PRO 16 1.707 5.998 -1.714
121 H CYS 17 H CYS 17 -1.136 3.341 -1.469
122 HA CYS 17 HA CYS 17 -2.588 1.257 -2.764
123 HB2 CYS 17 HB2 CYS 17 -1.503 0.958 -0.573
124 HB3 CYS 17 HB3 CYS 17 -2.609 2.130 0.134
125 H LYS 18 H LYS 18 -3.426 4.294 -1.210
126 HA LYS 18 HA LYS 18 -6.262 3.856 -1.448
127 HB2 LYS 18 HB2 LYS 18 -4.573 6.214 -0.650
128 HB3 LYS 18 HB3 LYS 18 -6.317 6.353 -0.844
129 HG2 LYS 18 HG2 LYS 18 -6.604 4.560 0.837
130 HG3 LYS 18 HG3 LYS 18 -4.856 4.546 1.072
131 HD2 LYS 18 HD2 LYS 18 -4.893 6.818 1.859
132 HD3 LYS 18 HD3 LYS 18 -6.606 6.970 1.469
133 HE2 LYS 18 HE2 LYS 18 -6.302 6.632 3.854
134 HE3 LYS 18 HE3 LYS 18 -7.129 5.251 3.137
135 HZ1 LYS 18 HZ1 LYS 18 -4.229 5.359 3.759
136 HZ2 LYS 18 HZ2 LYS 18 -5.078 4.018 3.162
137 HZ3 LYS 18 HZ3 LYS 18 -5.398 4.599 4.716
138 H LYS 19 H LYS 19 -3.724 5.321 -3.295
139 HA LYS 19 HA LYS 19 -5.374 6.546 -5.261
140 HB2 LYS 19 HB2 LYS 19 -2.941 7.046 -4.890
141 HB3 LYS 19 HB3 LYS 19 -2.562 5.477 -5.585
142 HG2 LYS 19 HG2 LYS 19 -3.553 6.153 -7.698
143 HG3 LYS 19 HG3 LYS 19 -3.984 7.717 -7.006
144 HD2 LYS 19 HD2 LYS 19 -1.584 8.154 -6.597
145 HD3 LYS 19 HD3 LYS 19 -1.198 6.628 -7.395
146 HE2 LYS 19 HE2 LYS 19 -2.635 8.960 -8.655
147 HE3 LYS 19 HE3 LYS 19 -0.939 8.546 -8.905
148 HZ1 LYS 19 HZ1 LYS 19 -1.630 6.444 -9.872
149 HZ2 LYS 19 HZ2 LYS 19 -2.333 7.739 -10.705
150 HZ3 LYS 19 HZ3 LYS 19 -3.259 6.834 -9.621
151 H ALA 20 H ALA 20 -4.162 3.342 -4.684
152 HA ALA 20 HA ALA 20 -4.881 2.227 -7.209
153 HB1 ALA 20 HB1 ALA 20 -3.208 1.222 -5.654
154 HB2 ALA 20 HB2 ALA 20 -4.449 0.092 -6.197
155 HB3 ALA 20 HB3 ALA 20 -4.540 0.788 -4.581
156 H GLY 21 H GLY 21 -6.361 2.084 -3.967
157 HA2 GLY 21 HA2 GLY 21 -8.873 2.697 -4.291
158 HA3 GLY 21 HA3 GLY 21 -8.869 1.210 -5.224
159 H MET 22 H MET 22 -6.709 1.022 -2.636
160 HA MET 22 HA MET 22 -8.716 -0.470 -1.094
161 HB2 MET 22 HB2 MET 22 -5.708 -0.779 -1.123
162 HB3 MET 22 HB3 MET 22 -6.800 -1.681 -0.084
163 HG2 MET 22 HG2 MET 22 -6.298 -3.123 -1.853
164 HG3 MET 22 HG3 MET 22 -7.913 -2.508 -2.202
165 HE1 MET 22 HE1 MET 22 -6.413 -2.899 -5.793
166 HE2 MET 22 HE2 MET 22 -7.761 -3.288 -4.724
167 HE3 MET 22 HE3 MET 22 -6.163 -3.965 -4.411
168 H ARG 23 H ARG 23 -7.534 -0.646 1.362
169 HA ARG 23 HA ARG 23 -7.822 2.151 2.193
170 HB2 ARG 23 HB2 ARG 23 -8.268 -0.437 3.681
171 HB3 ARG 23 HB3 ARG 23 -8.311 1.133 4.465
172 HG2 ARG 23 HG2 ARG 23 -10.081 1.755 2.739
173 HG3 ARG 23 HG3 ARG 23 -10.156 0.031 2.386
174 HD2 ARG 23 HD2 ARG 23 -10.498 1.136 5.158
175 HD3 ARG 23 HD3 ARG 23 -11.847 0.919 4.046
176 HE ARG 23 HE ARG 23 -10.466 -1.496 4.170
177 HH11 ARG 23 HH11 ARG 23 -12.360 0.561 6.277
178 HH12 ARG 23 HH12 ARG 23 -12.925 -0.753 7.259
179 HH21 ARG 23 HH21 ARG 23 -11.195 -3.215 5.466
180 HH22 ARG 23 HH22 ARG 23 -12.258 -2.898 6.801
181 H PHE 24 H PHE 24 -6.200 -0.619 3.689
182 HA PHE 24 HA PHE 24 -4.041 1.189 4.509
183 HB2 PHE 24 HB2 PHE 24 -3.971 -1.477 5.669
184 HB3 PHE 24 HB3 PHE 24 -4.020 0.088 6.476
185 HD1 PHE 24 HD1 PHE 24 -6.124 -2.434 4.809
186 HD2 PHE 24 HD2 PHE 24 -5.982 0.806 7.545
187 HE1 PHE 24 HE1 PHE 24 -8.450 -2.883 5.436
188 HE2 PHE 24 HE2 PHE 24 -8.317 0.364 8.189
189 HZ PHE 24 HZ PHE 24 -9.553 -1.484 7.139
190 H GLY 25 H GLY 25 -1.850 0.298 4.514
191 HA2 GLY 25 HA2 GLY 25 -1.405 -1.730 2.447
192 HA3 GLY 25 HA3 GLY 25 -0.720 -0.131 2.209
193 H LYS 26 H LYS 26 0.422 -2.883 2.653
194 HA LYS 26 HA LYS 26 2.307 -2.124 4.790
195 HB2 LYS 26 HB2 LYS 26 0.793 -4.003 5.462
196 HB3 LYS 26 HB3 LYS 26 1.395 -4.914 4.091
197 HG2 LYS 26 HG2 LYS 26 3.654 -4.846 5.058
198 HG3 LYS 26 HG3 LYS 26 2.995 -4.012 6.468
199 HD2 LYS 26 HD2 LYS 26 1.586 -5.902 6.983
200 HD3 LYS 26 HD3 LYS 26 2.088 -6.723 5.504
201 HE2 LYS 26 HE2 LYS 26 4.381 -6.831 6.342
202 HE3 LYS 26 HE3 LYS 26 3.884 -6.005 7.817
203 HZ1 LYS 26 HZ1 LYS 26 4.006 -8.375 8.167
204 HZ2 LYS 26 HZ2 LYS 26 2.922 -8.658 6.901
205 HZ3 LYS 26 HZ3 LYS 26 2.403 -7.860 8.296
206 H CYS 27 H CYS 27 4.462 -2.865 4.442
207 HA CYS 27 HA CYS 27 5.088 -3.158 1.596
208 HB2 CYS 27 HB2 CYS 27 6.182 -1.287 2.775
209 HB3 CYS 27 HB3 CYS 27 6.902 -2.424 3.909
210 H ILE 28 H ILE 28 5.599 -5.101 0.865
211 HA ILE 28 HA ILE 28 6.375 -7.123 2.855
212 HB ILE 28 HB ILE 28 4.516 -7.421 0.487
213 HG12 ILE 28 HG12 ILE 28 4.139 -7.324 3.467
214 HG13 ILE 28 HG13 ILE 28 3.353 -6.355 2.226
215 HG21 ILE 28 HG21 ILE 28 4.301 -9.658 0.828
216 HG22 ILE 28 HG22 ILE 28 4.905 -9.594 2.485
217 HG23 ILE 28 HG23 ILE 28 6.029 -9.455 1.129
218 HD11 ILE 28 HD11 ILE 28 2.129 -8.345 1.480
219 HD12 ILE 28 HD12 ILE 28 1.805 -7.943 3.167
220 HD13 ILE 28 HD13 ILE 28 2.889 -9.276 2.770
221 H ASN 29 H ASN 29 6.251 -8.481 -0.223
222 HA ASN 29 HA ASN 29 9.157 -8.562 -0.250
223 HB2 ASN 29 HB2 ASN 29 8.783 -10.350 -2.018
224 HB3 ASN 29 HB3 ASN 29 8.207 -10.718 -0.400
225 HD21 ASN 29 HD21 ASN 29 6.577 -8.614 -2.723
226 HD22 ASN 29 HD22 ASN 29 5.210 -9.647 -2.958
227 H GLY 30 H GLY 30 8.341 -6.121 -0.918
228 HA2 GLY 30 HA2 GLY 30 9.134 -4.653 -2.596
229 HA3 GLY 30 HA3 GLY 30 9.014 -5.961 -3.763
230 H LYS 31 H LYS 31 6.284 -6.073 -1.936
231 HA LYS 31 HA LYS 31 4.831 -4.357 -3.829
232 HB2 LYS 31 HB2 LYS 31 2.957 -5.882 -3.676
233 HB3 LYS 31 HB3 LYS 31 4.394 -6.795 -4.112
234 HG2 LYS 31 HG2 LYS 31 4.634 -7.588 -1.848
235 HG3 LYS 31 HG3 LYS 31 3.283 -6.588 -1.324
236 HD2 LYS 31 HD2 LYS 31 3.138 -8.889 -3.269
237 HD3 LYS 31 HD3 LYS 31 2.624 -8.915 -1.584
238 HE2 LYS 31 HE2 LYS 31 1.034 -7.038 -2.176
239 HE3 LYS 31 HE3 LYS 31 1.427 -7.357 -3.863
240 HZ1 LYS 31 HZ1 LYS 31 0.682 -9.684 -3.471
241 HZ2 LYS 31 HZ2 LYS 31 -0.552 -8.540 -3.328
242 HZ3 LYS 31 HZ3 LYS 31 0.135 -9.215 -1.939
243 H CYS 32 H CYS 32 3.367 -2.939 -3.008
244 HA CYS 32 HA CYS 32 3.071 -2.773 -0.132
245 HB2 CYS 32 HB2 CYS 32 2.179 -1.060 -2.453
246 HB3 CYS 32 HB3 CYS 32 1.442 -0.848 -0.860
247 H ASP 33 H ASP 33 2.081 -4.747 0.288
248 HA ASP 33 HA ASP 33 -0.329 -5.525 -1.046
249 HB2 ASP 33 HB2 ASP 33 1.294 -7.143 -0.121
250 HB3 ASP 33 HB3 ASP 33 0.898 -6.584 1.499
251 H CYS 34 H CYS 34 -2.422 -5.376 -0.316
252 HA CYS 34 HA CYS 34 -2.802 -3.472 1.894
253 HB2 CYS 34 HB2 CYS 34 -4.022 -3.434 -0.863
254 HB3 CYS 34 HB3 CYS 34 -4.608 -2.452 0.472
255 H THR 35 H THR 35 -5.019 -3.346 2.692
256 HA THR 35 HA THR 35 -6.692 -5.666 2.004
257 HB THR 35 HB THR 35 -6.636 -4.125 4.619
258 HG1 THR 35 HG1 THR 35 -5.871 -6.792 3.935
259 HG21 THR 35 HG21 THR 35 -8.901 -4.950 3.796
260 HG22 THR 35 HG22 THR 35 -8.389 -5.518 5.388
261 HG23 THR 35 HG23 THR 35 -8.259 -6.583 3.989
262 HA PRO 36 HA PRO 36 -9.083 -2.393 0.261
263 HB2 PRO 36 HB2 PRO 36 -11.086 -3.854 -0.743
264 HB3 PRO 36 HB3 PRO 36 -9.449 -3.980 -1.382
265 HG2 PRO 36 HG2 PRO 36 -10.881 -5.784 0.527
266 HG3 PRO 36 HG3 PRO 36 -9.861 -6.206 -0.860
267 HD2 PRO 36 HD2 PRO 36 -8.992 -6.193 1.746
268 HD3 PRO 36 HD3 PRO 36 -7.930 -5.975 0.344
269 H LYS 37 H LYS 37 -11.883 -2.452 0.107
270 HA LYS 37 HA LYS 37 -12.491 -1.624 2.825
271 HB2 LYS 37 HB2 LYS 37 -13.982 -1.279 0.230
272 HB3 LYS 37 HB3 LYS 37 -14.652 -0.806 1.780
273 HG2 LYS 37 HG2 LYS 37 -13.794 1.169 0.931
274 HG3 LYS 37 HG3 LYS 37 -12.540 0.622 2.039
275 HD2 LYS 37 HD2 LYS 37 -11.442 1.358 0.070
276 HD3 LYS 37 HD3 LYS 37 -11.383 -0.404 0.053
277 HE2 LYS 37 HE2 LYS 37 -11.932 0.443 -2.152
278 HE3 LYS 37 HE3 LYS 37 -13.299 -0.443 -1.483
279 HZ1 LYS 37 HZ1 LYS 37 -13.021 2.518 -1.486
280 HZ2 LYS 37 HZ2 LYS 37 -14.356 1.640 -0.923
281 HZ3 LYS 37 HZ3 LYS 37 -13.968 1.624 -2.567
Start of MODEL 16
1 H1 VAL 1 H1 VAL 1 -4.870 -9.397 -4.307
2 H2 VAL 1 H2 VAL 1 -6.333 -8.973 -3.578
3 H3 VAL 1 H3 VAL 1 -4.977 -9.303 -2.626
4 HA VAL 1 HA VAL 1 -5.238 -7.057 -4.521
5 HB VAL 1 HB VAL 1 -5.100 -5.661 -2.419
6 HG11 VAL 1 HG11 VAL 1 -7.451 -5.696 -2.058
7 HG12 VAL 1 HG12 VAL 1 -7.571 -7.371 -2.597
8 HG13 VAL 1 HG13 VAL 1 -7.178 -6.100 -3.754
9 HG21 VAL 1 HG21 VAL 1 -4.308 -7.424 -0.913
10 HG22 VAL 1 HG22 VAL 1 -5.840 -8.276 -1.105
11 HG23 VAL 1 HG23 VAL 1 -5.801 -6.696 -0.324
12 H GLY 2 H GLY 2 -3.564 -5.318 -3.558
13 HA2 GLY 2 HA2 GLY 2 -1.268 -5.128 -2.752
14 HA3 GLY 2 HA3 GLY 2 -0.984 -6.734 -3.415
15 H ILE 3 H ILE 3 -0.096 -3.748 -3.932
16 HA ILE 3 HA ILE 3 -0.776 -3.663 -6.789
17 HB ILE 3 HB ILE 3 -0.292 -1.297 -6.707
18 HG12 ILE 3 HG12 ILE 3 0.481 -1.816 -3.827
19 HG13 ILE 3 HG13 ILE 3 1.566 -1.326 -5.121
20 HG21 ILE 3 HG21 ILE 3 -2.023 -0.623 -5.009
21 HG22 ILE 3 HG22 ILE 3 -2.053 -2.300 -4.476
22 HG23 ILE 3 HG23 ILE 3 -2.526 -1.891 -6.124
23 HD11 ILE 3 HD11 ILE 3 -0.610 0.278 -3.838
24 HD12 ILE 3 HD12 ILE 3 0.213 0.776 -5.313
25 HD13 ILE 3 HD13 ILE 3 1.122 0.588 -3.812
26 H ASN 4 H ASN 4 1.071 -2.163 -7.885
27 HA ASN 4 HA ASN 4 3.402 -3.944 -7.779
28 HB2 ASN 4 HB2 ASN 4 2.109 -3.749 -9.910
29 HB3 ASN 4 HB3 ASN 4 2.556 -2.050 -9.987
30 HD21 ASN 4 HD21 ASN 4 3.778 -5.332 -10.083
31 HD22 ASN 4 HD22 ASN 4 5.239 -4.959 -10.929
32 H VAL 5 H VAL 5 2.516 -1.117 -6.531
33 HA VAL 5 HA VAL 5 4.760 0.538 -7.036
34 HB VAL 5 HB VAL 5 2.350 0.694 -5.474
35 HG11 VAL 5 HG11 VAL 5 3.547 0.483 -3.460
36 HG12 VAL 5 HG12 VAL 5 3.287 2.211 -3.687
37 HG13 VAL 5 HG13 VAL 5 4.862 1.501 -4.042
38 HG21 VAL 5 HG21 VAL 5 2.903 3.155 -5.646
39 HG22 VAL 5 HG22 VAL 5 2.728 2.270 -7.161
40 HG23 VAL 5 HG23 VAL 5 4.335 2.665 -6.549
41 H ASP 6 H ASP 6 6.451 1.061 -5.568
42 HA ASP 6 HA ASP 6 7.341 -1.311 -4.076
43 HB2 ASP 6 HB2 ASP 6 9.651 -0.448 -4.439
44 HB3 ASP 6 HB3 ASP 6 8.810 -0.840 -5.934
45 H CYS 7 H CYS 7 7.686 -1.170 -1.972
46 HA CYS 7 HA CYS 7 7.117 1.365 -0.676
47 HB2 CYS 7 HB2 CYS 7 7.209 -0.128 1.410
48 HB3 CYS 7 HB3 CYS 7 5.883 -0.361 0.287
49 H LYS 8 H LYS 8 8.541 2.581 0.397
50 HA LYS 8 HA LYS 8 11.201 1.576 0.972
51 HB2 LYS 8 HB2 LYS 8 10.800 3.996 0.368
52 HB3 LYS 8 HB3 LYS 8 9.922 4.167 1.873
53 HG2 LYS 8 HG2 LYS 8 11.810 3.864 3.165
54 HG3 LYS 8 HG3 LYS 8 12.736 3.163 1.839
55 HD2 LYS 8 HD2 LYS 8 13.547 5.385 2.225
56 HD3 LYS 8 HD3 LYS 8 12.666 5.377 0.701
57 HE2 LYS 8 HE2 LYS 8 10.686 6.256 1.933
58 HE3 LYS 8 HE3 LYS 8 11.702 6.406 3.363
59 HZ1 LYS 8 HZ1 LYS 8 11.556 8.498 2.192
60 HZ2 LYS 8 HZ2 LYS 8 12.130 7.787 0.772
61 HZ3 LYS 8 HZ3 LYS 8 13.139 7.911 2.122
62 H HIS 9 H HIS 9 8.112 1.828 2.336
63 HA HIS 9 HA HIS 9 8.639 0.169 4.533
64 HB2 HIS 9 HB2 HIS 9 7.991 1.878 6.337
65 HB3 HIS 9 HB3 HIS 9 9.641 1.943 5.735
66 HD1 HIS 9 HD1 HIS 9 10.272 3.976 4.255
67 HD2 HIS 9 HD2 HIS 9 6.458 4.154 5.883
68 HE1 HIS 9 HE1 HIS 9 9.461 6.298 3.785
69 HE2 HIS 9 HE2 HIS 9 7.259 6.463 5.024
70 H SER 10 H SER 10 6.600 -0.008 5.952
71 HA SER 10 HA SER 10 4.479 -0.510 4.183
72 HB2 SER 10 HB2 SER 10 3.190 -0.850 6.395
73 HB3 SER 10 HB3 SER 10 4.586 -1.879 6.077
74 HG SER 10 HG SER 10 4.236 -0.509 8.201
75 H GLY 11 H GLY 11 4.986 2.110 6.493
76 HA2 GLY 11 HA2 GLY 11 2.441 3.220 6.501
77 HA3 GLY 11 HA3 GLY 11 3.918 4.109 6.819
78 H GLN 12 H GLN 12 4.943 3.560 4.065
79 HA GLN 12 HA GLN 12 3.509 5.793 2.865
80 HB2 GLN 12 HB2 GLN 12 5.404 5.907 1.282
81 HB3 GLN 12 HB3 GLN 12 5.893 6.048 2.961
82 HG2 GLN 12 HG2 GLN 12 7.477 4.600 2.319
83 HG3 GLN 12 HG3 GLN 12 6.213 3.416 2.637
84 HE21 GLN 12 HE21 GLN 12 8.024 5.100 0.213
85 HE22 GLN 12 HE22 GLN 12 7.561 4.097 -1.121
86 H CYS 13 H CYS 13 3.004 2.624 2.837
87 HA CYS 13 HA CYS 13 2.520 2.303 -0.003
88 HB2 CYS 13 HB2 CYS 13 2.017 0.563 2.403
89 HB3 CYS 13 HB3 CYS 13 1.367 0.157 0.822
90 H LEU 14 H LEU 14 0.912 3.429 2.784
91 HA LEU 14 HA LEU 14 -1.769 3.016 2.163
92 HB2 LEU 14 HB2 LEU 14 -0.315 5.153 3.687
93 HB3 LEU 14 HB3 LEU 14 -2.037 5.258 3.439
94 HG LEU 14 HG LEU 14 -2.366 3.149 4.642
95 HD11 LEU 14 HD11 LEU 14 -0.140 2.209 4.027
96 HD12 LEU 14 HD12 LEU 14 -0.592 1.999 5.718
97 HD13 LEU 14 HD13 LEU 14 0.575 3.243 5.263
98 HD21 LEU 14 HD21 LEU 14 -0.688 5.163 6.123
99 HD22 LEU 14 HD22 LEU 14 -1.750 3.963 6.862
100 HD23 LEU 14 HD23 LEU 14 -2.432 5.251 5.866
101 H LYS 15 H LYS 15 0.370 5.701 1.314
102 HA LYS 15 HA LYS 15 -1.444 7.381 0.138
103 HB2 LYS 15 HB2 LYS 15 1.036 7.700 0.762
104 HB3 LYS 15 HB3 LYS 15 1.376 7.109 -0.852
105 HG2 LYS 15 HG2 LYS 15 -0.453 9.410 -0.357
106 HG3 LYS 15 HG3 LYS 15 1.290 9.620 -0.511
107 HD2 LYS 15 HD2 LYS 15 1.160 8.512 -2.738
108 HD3 LYS 15 HD3 LYS 15 -0.598 8.489 -2.576
109 HE2 LYS 15 HE2 LYS 15 0.044 10.380 -3.918
110 HE3 LYS 15 HE3 LYS 15 -0.563 10.953 -2.370
111 HZ1 LYS 15 HZ1 LYS 15 1.411 12.152 -2.983
112 HZ2 LYS 15 HZ2 LYS 15 2.287 10.718 -3.151
113 HZ3 LYS 15 HZ3 LYS 15 1.743 11.199 -1.626
114 HA PRO 16 HA PRO 16 -0.730 5.597 -4.215
115 HB2 PRO 16 HB2 PRO 16 0.635 3.282 -4.583
116 HB3 PRO 16 HB3 PRO 16 1.402 4.872 -4.598
117 HG2 PRO 16 HG2 PRO 16 1.344 2.812 -2.455
118 HG3 PRO 16 HG3 PRO 16 2.642 3.923 -2.913
119 HD2 PRO 16 HD2 PRO 16 0.988 4.302 -0.750
120 HD3 PRO 16 HD3 PRO 16 1.850 5.593 -1.598
121 H CYS 17 H CYS 17 -1.158 3.162 -1.677
122 HA CYS 17 HA CYS 17 -2.743 1.437 -3.259
123 HB2 CYS 17 HB2 CYS 17 -2.087 1.716 -0.364
124 HB3 CYS 17 HB3 CYS 17 -3.402 0.676 -0.850
125 H LYS 18 H LYS 18 -3.397 4.237 -1.270
126 HA LYS 18 HA LYS 18 -6.234 3.898 -1.252
127 HB2 LYS 18 HB2 LYS 18 -4.421 6.239 -0.721
128 HB3 LYS 18 HB3 LYS 18 -6.175 6.393 -0.674
129 HG2 LYS 18 HG2 LYS 18 -6.281 4.705 1.082
130 HG3 LYS 18 HG3 LYS 18 -4.528 4.522 1.019
131 HD2 LYS 18 HD2 LYS 18 -4.317 6.922 1.628
132 HD3 LYS 18 HD3 LYS 18 -6.070 6.986 1.822
133 HE2 LYS 18 HE2 LYS 18 -5.937 5.255 3.548
134 HE3 LYS 18 HE3 LYS 18 -4.187 5.195 3.354
135 HZ1 LYS 18 HZ1 LYS 18 -5.776 7.511 4.308
136 HZ2 LYS 18 HZ2 LYS 18 -4.108 7.542 4.027
137 HZ3 LYS 18 HZ3 LYS 18 -4.745 6.544 5.236
138 H LYS 19 H LYS 19 -3.907 5.305 -3.410
139 HA LYS 19 HA LYS 19 -5.799 6.504 -5.183
140 HB2 LYS 19 HB2 LYS 19 -3.461 7.209 -5.188
141 HB3 LYS 19 HB3 LYS 19 -2.950 5.588 -5.629
142 HG2 LYS 19 HG2 LYS 19 -4.139 5.815 -7.770
143 HG3 LYS 19 HG3 LYS 19 -4.589 7.460 -7.324
144 HD2 LYS 19 HD2 LYS 19 -2.661 7.491 -8.796
145 HD3 LYS 19 HD3 LYS 19 -2.209 8.060 -7.191
146 HE2 LYS 19 HE2 LYS 19 -0.503 6.576 -8.054
147 HE3 LYS 19 HE3 LYS 19 -1.306 5.828 -6.676
148 HZ1 LYS 19 HZ1 LYS 19 -1.017 4.221 -8.411
149 HZ2 LYS 19 HZ2 LYS 19 -1.783 5.216 -9.540
150 HZ3 LYS 19 HZ3 LYS 19 -2.666 4.555 -8.262
151 H ALA 20 H ALA 20 -4.212 3.389 -4.897
152 HA ALA 20 HA ALA 20 -5.109 2.260 -7.319
153 HB1 ALA 20 HB1 ALA 20 -3.243 1.382 -5.897
154 HB2 ALA 20 HB2 ALA 20 -4.400 0.159 -6.426
155 HB3 ALA 20 HB3 ALA 20 -4.466 0.778 -4.776
156 H GLY 21 H GLY 21 -6.426 2.181 -4.029
157 HA2 GLY 21 HA2 GLY 21 -8.974 2.452 -4.186
158 HA3 GLY 21 HA3 GLY 21 -8.878 0.969 -5.120
159 H MET 22 H MET 22 -6.636 1.261 -2.549
160 HA MET 22 HA MET 22 -8.267 -0.609 -0.993
161 HB2 MET 22 HB2 MET 22 -5.276 -0.265 -1.119
162 HB3 MET 22 HB3 MET 22 -6.078 -1.251 0.097
163 HG2 MET 22 HG2 MET 22 -5.411 -2.758 -1.550
164 HG3 MET 22 HG3 MET 22 -7.134 -2.508 -1.839
165 HE1 MET 22 HE1 MET 22 -5.246 -3.844 -4.009
166 HE2 MET 22 HE2 MET 22 -5.790 -3.014 -5.466
167 HE3 MET 22 HE3 MET 22 -6.964 -3.530 -4.255
168 H ARG 23 H ARG 23 -7.087 -0.504 1.469
169 HA ARG 23 HA ARG 23 -7.866 2.227 2.264
170 HB2 ARG 23 HB2 ARG 23 -8.105 -0.409 3.709
171 HB3 ARG 23 HB3 ARG 23 -8.400 1.134 4.492
172 HG2 ARG 23 HG2 ARG 23 -10.075 1.553 2.608
173 HG3 ARG 23 HG3 ARG 23 -9.927 -0.169 2.282
174 HD2 ARG 23 HD2 ARG 23 -10.606 0.886 5.007
175 HD3 ARG 23 HD3 ARG 23 -11.838 0.551 3.791
176 HE ARG 23 HE ARG 23 -10.405 -1.748 3.889
177 HH11 ARG 23 HH11 ARG 23 -12.011 0.200 6.313
178 HH12 ARG 23 HH12 ARG 23 -12.384 -1.150 7.332
179 HH21 ARG 23 HH21 ARG 23 -10.874 -3.512 5.226
180 HH22 ARG 23 HH22 ARG 23 -11.723 -3.272 6.716
181 H PHE 24 H PHE 24 -5.776 -0.415 3.368
182 HA PHE 24 HA PHE 24 -4.095 1.564 4.752
183 HB2 PHE 24 HB2 PHE 24 -3.788 -1.368 5.218
184 HB3 PHE 24 HB3 PHE 24 -3.667 -0.033 6.363
185 HD1 PHE 24 HD2 PHE 24 -5.719 0.934 7.352
186 HD2 PHE 24 HD1 PHE 24 -5.823 -2.408 4.744
187 HE1 PHE 24 HE2 PHE 24 -8.029 0.453 8.061
188 HE2 PHE 24 HE1 PHE 24 -8.125 -2.896 5.434
189 HZ PHE 24 HZ PHE 24 -9.232 -1.468 7.108
190 H GLY 25 H GLY 25 -1.881 -0.355 4.991
191 HA2 GLY 25 HA2 GLY 25 -1.048 -1.190 2.414
192 HA3 GLY 25 HA3 GLY 25 -0.346 0.376 2.797
193 H LYS 26 H LYS 26 0.638 -2.555 2.544
194 HA LYS 26 HA LYS 26 2.368 -2.395 4.916
195 HB2 LYS 26 HB2 LYS 26 0.518 -4.137 5.133
196 HB3 LYS 26 HB3 LYS 26 1.296 -4.979 3.804
197 HG2 LYS 26 HG2 LYS 26 3.266 -5.355 5.093
198 HG3 LYS 26 HG3 LYS 26 2.665 -4.328 6.397
199 HD2 LYS 26 HD2 LYS 26 2.394 -6.702 6.932
200 HD3 LYS 26 HD3 LYS 26 0.833 -5.891 6.797
201 HE2 LYS 26 HE2 LYS 26 0.652 -6.746 4.472
202 HE3 LYS 26 HE3 LYS 26 2.146 -7.646 4.726
203 HZ1 LYS 26 HZ1 LYS 26 1.050 -8.830 6.546
204 HZ2 LYS 26 HZ2 LYS 26 0.244 -9.057 5.077
205 HZ3 LYS 26 HZ3 LYS 26 -0.386 -7.996 6.230
206 H CYS 27 H CYS 27 4.452 -3.307 4.592
207 HA CYS 27 HA CYS 27 5.228 -3.295 1.759
208 HB2 CYS 27 HB2 CYS 27 6.288 -1.584 3.215
209 HB3 CYS 27 HB3 CYS 27 6.957 -2.872 4.209
210 H ILE 28 H ILE 28 5.488 -5.258 0.920
211 HA ILE 28 HA ILE 28 6.186 -7.417 2.784
212 HB ILE 28 HB ILE 28 4.597 -7.465 0.216
213 HG12 ILE 28 HG12 ILE 28 3.969 -7.820 3.132
214 HG13 ILE 28 HG13 ILE 28 3.267 -6.684 1.986
215 HG21 ILE 28 HG21 ILE 28 4.472 -9.720 0.178
216 HG22 ILE 28 HG22 ILE 28 4.848 -9.904 1.895
217 HG23 ILE 28 HG23 ILE 28 6.136 -9.539 0.743
218 HD11 ILE 28 HD11 ILE 28 2.148 -8.528 0.850
219 HD12 ILE 28 HD12 ILE 28 1.701 -8.440 2.553
220 HD13 ILE 28 HD13 ILE 28 2.848 -9.662 2.003
221 H ASN 29 H ASN 29 6.490 -8.395 -0.466
222 HA ASN 29 HA ASN 29 9.370 -8.481 -0.076
223 HB2 ASN 29 HB2 ASN 29 9.315 -9.998 -2.108
224 HB3 ASN 29 HB3 ASN 29 8.499 -10.596 -0.673
225 HD21 ASN 29 HD21 ASN 29 7.175 -8.185 -2.869
226 HD22 ASN 29 HD22 ASN 29 5.912 -9.186 -3.489
227 H GLY 30 H GLY 30 8.542 -5.970 -0.496
228 HA2 GLY 30 HA2 GLY 30 9.492 -4.230 -1.779
229 HA3 GLY 30 HA3 GLY 30 9.680 -5.354 -3.118
230 H LYS 31 H LYS 31 6.663 -5.843 -1.863
231 HA LYS 31 HA LYS 31 5.457 -3.982 -3.798
232 HB2 LYS 31 HB2 LYS 31 3.636 -5.582 -4.045
233 HB3 LYS 31 HB3 LYS 31 5.170 -6.375 -4.381
234 HG2 LYS 31 HG2 LYS 31 5.099 -7.639 -2.466
235 HG3 LYS 31 HG3 LYS 31 4.052 -6.497 -1.626
236 HD2 LYS 31 HD2 LYS 31 2.817 -8.483 -2.129
237 HD3 LYS 31 HD3 LYS 31 2.196 -7.163 -3.117
238 HE2 LYS 31 HE2 LYS 31 3.606 -7.998 -4.992
239 HE3 LYS 31 HE3 LYS 31 4.048 -9.377 -3.988
240 HZ1 LYS 31 HZ1 LYS 31 1.315 -8.683 -4.925
241 HZ2 LYS 31 HZ2 LYS 31 1.674 -9.953 -3.868
242 HZ3 LYS 31 HZ3 LYS 31 2.264 -9.981 -5.451
243 H CYS 32 H CYS 32 3.579 -2.907 -3.173
244 HA CYS 32 HA CYS 32 3.108 -2.773 -0.310
245 HB2 CYS 32 HB2 CYS 32 2.183 -1.110 -2.650
246 HB3 CYS 32 HB3 CYS 32 1.473 -0.917 -1.051
247 H ASP 33 H ASP 33 2.158 -4.817 0.038
248 HA ASP 33 HA ASP 33 -0.378 -5.434 -1.176
249 HB2 ASP 33 HB2 ASP 33 1.075 -7.217 -0.342
250 HB3 ASP 33 HB3 ASP 33 0.971 -6.553 1.286
251 H CYS 34 H CYS 34 -2.244 -4.518 -0.641
252 HA CYS 34 HA CYS 34 -2.516 -3.308 2.016
253 HB2 CYS 34 HB2 CYS 34 -3.328 -1.954 -0.560
254 HB3 CYS 34 HB3 CYS 34 -3.396 -1.274 1.062
255 H THR 35 H THR 35 -4.576 -3.357 2.866
256 HA THR 35 HA THR 35 -6.337 -5.282 1.597
257 HB THR 35 HB THR 35 -6.526 -3.949 4.309
258 HG1 THR 35 HG1 THR 35 -5.006 -5.990 3.369
259 HG21 THR 35 HG21 THR 35 -8.690 -4.792 3.371
260 HG22 THR 35 HG22 THR 35 -8.182 -5.592 4.862
261 HG23 THR 35 HG23 THR 35 -7.965 -6.402 3.311
262 HA PRO 36 HA PRO 36 -8.790 -1.997 0.019
263 HB2 PRO 36 HB2 PRO 36 -10.661 -3.431 -1.211
264 HB3 PRO 36 HB3 PRO 36 -8.976 -3.498 -1.737
265 HG2 PRO 36 HG2 PRO 36 -10.499 -5.423 -0.022
266 HG3 PRO 36 HG3 PRO 36 -9.396 -5.762 -1.366
267 HD2 PRO 36 HD2 PRO 36 -8.679 -5.857 1.291
268 HD3 PRO 36 HD3 PRO 36 -7.542 -5.576 -0.040
269 H LYS 37 H LYS 37 -11.498 -2.090 -0.326
270 HA LYS 37 HA LYS 37 -12.416 -1.297 2.256
271 HB2 LYS 37 HB2 LYS 37 -13.854 -1.599 -0.381
272 HB3 LYS 37 HB3 LYS 37 -14.637 -1.026 1.078
273 HG2 LYS 37 HG2 LYS 37 -14.099 0.866 -0.245
274 HG3 LYS 37 HG3 LYS 37 -12.996 0.856 1.129
275 HD2 LYS 37 HD2 LYS 37 -11.181 0.185 -0.189
276 HD3 LYS 37 HD3 LYS 37 -12.224 -0.359 -1.505
277 HE2 LYS 37 HE2 LYS 37 -11.061 1.745 -2.034
278 HE3 LYS 37 HE3 LYS 37 -12.812 1.929 -2.031
279 HZ1 LYS 37 HZ1 LYS 37 -12.686 2.930 0.144
280 HZ2 LYS 37 HZ2 LYS 37 -11.683 3.767 -0.924
281 HZ3 LYS 37 HZ3 LYS 37 -11.013 2.703 0.202
Start of MODEL 17
1 H1 VAL 1 H1 VAL 1 -5.277 -9.319 -3.525
2 H2 VAL 1 H2 VAL 1 -5.221 -8.906 -5.161
3 H3 VAL 1 H3 VAL 1 -6.642 -8.664 -4.279
4 HA VAL 1 HA VAL 1 -5.482 -6.593 -4.651
5 HB VAL 1 HB VAL 1 -5.204 -5.878 -2.252
6 HG11 VAL 1 HG11 VAL 1 -7.523 -5.914 -1.800
7 HG12 VAL 1 HG12 VAL 1 -7.756 -7.390 -2.735
8 HG13 VAL 1 HG13 VAL 1 -7.361 -5.880 -3.554
9 HG21 VAL 1 HG21 VAL 1 -4.426 -7.996 -1.329
10 HG22 VAL 1 HG22 VAL 1 -5.975 -8.745 -1.716
11 HG23 VAL 1 HG23 VAL 1 -5.895 -7.461 -0.509
12 H GLY 2 H GLY 2 -3.691 -5.246 -3.463
13 HA2 GLY 2 HA2 GLY 2 -1.385 -5.171 -2.833
14 HA3 GLY 2 HA3 GLY 2 -1.188 -6.781 -3.511
15 H ILE 3 H ILE 3 -0.555 -3.588 -4.023
16 HA ILE 3 HA ILE 3 -1.120 -3.612 -6.882
17 HB ILE 3 HB ILE 3 -0.717 -1.269 -6.858
18 HG12 ILE 3 HG12 ILE 3 0.335 -1.635 -4.048
19 HG13 ILE 3 HG13 ILE 3 1.325 -1.328 -5.465
20 HG21 ILE 3 HG21 ILE 3 -2.245 -0.535 -5.003
21 HG22 ILE 3 HG22 ILE 3 -2.191 -2.185 -4.394
22 HG23 ILE 3 HG23 ILE 3 -2.864 -1.857 -5.989
23 HD11 ILE 3 HD11 ILE 3 -0.613 0.512 -4.128
24 HD12 ILE 3 HD12 ILE 3 0.054 0.831 -5.724
25 HD13 ILE 3 HD13 ILE 3 1.123 0.717 -4.325
26 H ASN 4 H ASN 4 0.639 -2.263 -8.109
27 HA ASN 4 HA ASN 4 3.130 -3.798 -7.804
28 HB2 ASN 4 HB2 ASN 4 1.966 -4.124 -9.941
29 HB3 ASN 4 HB3 ASN 4 1.982 -2.389 -10.228
30 HD21 ASN 4 HD21 ASN 4 3.099 -2.592 -12.125
31 HD22 ASN 4 HD22 ASN 4 4.774 -3.020 -12.190
32 H VAL 5 H VAL 5 4.109 -2.478 -6.295
33 HA VAL 5 HA VAL 5 5.014 0.126 -7.240
34 HB VAL 5 HB VAL 5 2.805 0.177 -5.772
35 HG11 VAL 5 HG11 VAL 5 3.283 0.478 -3.402
36 HG12 VAL 5 HG12 VAL 5 4.949 -0.013 -3.679
37 HG13 VAL 5 HG13 VAL 5 3.634 -1.156 -3.956
38 HG21 VAL 5 HG21 VAL 5 3.412 2.391 -4.949
39 HG22 VAL 5 HG22 VAL 5 3.978 2.157 -6.603
40 HG23 VAL 5 HG23 VAL 5 5.113 2.053 -5.258
41 H ASP 6 H ASP 6 6.447 1.048 -5.260
42 HA ASP 6 HA ASP 6 8.008 -1.169 -4.138
43 HB2 ASP 6 HB2 ASP 6 9.248 1.291 -5.371
44 HB3 ASP 6 HB3 ASP 6 10.093 -0.066 -4.647
45 H CYS 7 H CYS 7 7.678 -0.926 -2.044
46 HA CYS 7 HA CYS 7 7.482 1.749 -0.900
47 HB2 CYS 7 HB2 CYS 7 6.997 0.444 1.242
48 HB3 CYS 7 HB3 CYS 7 5.792 0.377 -0.025
49 H LYS 8 H LYS 8 8.988 2.685 0.267
50 HA LYS 8 HA LYS 8 11.440 1.299 0.924
51 HB2 LYS 8 HB2 LYS 8 10.517 4.048 1.799
52 HB3 LYS 8 HB3 LYS 8 12.164 3.431 1.823
53 HG2 LYS 8 HG2 LYS 8 12.171 3.329 -0.612
54 HG3 LYS 8 HG3 LYS 8 10.509 3.921 -0.642
55 HD2 LYS 8 HD2 LYS 8 11.258 5.990 0.472
56 HD3 LYS 8 HD3 LYS 8 12.919 5.399 0.407
57 HE2 LYS 8 HE2 LYS 8 11.127 5.947 -1.955
58 HE3 LYS 8 HE3 LYS 8 12.475 6.946 -1.421
59 HZ1 LYS 8 HZ1 LYS 8 12.652 4.163 -2.441
60 HZ2 LYS 8 HZ2 LYS 8 13.959 5.069 -1.867
61 HZ3 LYS 8 HZ3 LYS 8 13.137 5.562 -3.256
62 H HIS 9 H HIS 9 8.370 1.913 2.263
63 HA HIS 9 HA HIS 9 8.786 0.217 4.473
64 HB2 HIS 9 HB2 HIS 9 8.254 1.971 6.253
65 HB3 HIS 9 HB3 HIS 9 9.903 1.936 5.639
66 HD1 HIS 9 HD1 HIS 9 10.744 3.992 4.425
67 HD2 HIS 9 HD2 HIS 9 6.738 4.242 5.489
68 HE1 HIS 9 HE1 HIS 9 10.058 6.342 3.913
69 HE2 HIS 9 HE2 HIS 9 7.715 6.543 4.831
70 H SER 10 H SER 10 6.808 0.246 5.955
71 HA SER 10 HA SER 10 4.552 -0.121 4.298
72 HB2 SER 10 HB2 SER 10 3.397 -0.403 6.589
73 HB3 SER 10 HB3 SER 10 4.695 -1.522 6.172
74 HG SER 10 HG SER 10 5.968 -0.634 7.643
75 H GLY 11 H GLY 11 5.448 2.455 6.542
76 HA2 GLY 11 HA2 GLY 11 3.003 3.725 6.828
77 HA3 GLY 11 HA3 GLY 11 4.559 4.520 6.957
78 H GLN 12 H GLN 12 5.258 3.992 4.134
79 HA GLN 12 HA GLN 12 3.771 6.261 3.063
80 HB2 GLN 12 HB2 GLN 12 5.460 6.364 1.331
81 HB3 GLN 12 HB3 GLN 12 6.229 6.259 2.910
82 HG2 GLN 12 HG2 GLN 12 6.787 3.978 2.580
83 HG3 GLN 12 HG3 GLN 12 5.783 3.880 1.137
84 HE21 GLN 12 HE21 GLN 12 7.788 6.653 1.766
85 HE22 GLN 12 HE22 GLN 12 8.932 6.350 0.508
86 H CYS 13 H CYS 13 3.308 3.034 3.072
87 HA CYS 13 HA CYS 13 2.771 2.543 0.296
88 HB2 CYS 13 HB2 CYS 13 3.395 0.719 1.805
89 HB3 CYS 13 HB3 CYS 13 1.966 1.018 2.784
90 H LEU 14 H LEU 14 1.114 3.880 2.951
91 HA LEU 14 HA LEU 14 -1.561 3.412 2.319
92 HB2 LEU 14 HB2 LEU 14 -0.143 5.630 3.765
93 HB3 LEU 14 HB3 LEU 14 -1.870 5.635 3.557
94 HG LEU 14 HG LEU 14 -1.357 4.822 5.754
95 HD11 LEU 14 HD11 LEU 14 -2.196 2.591 3.934
96 HD12 LEU 14 HD12 LEU 14 -3.250 3.802 4.658
97 HD13 LEU 14 HD13 LEU 14 -2.428 2.623 5.681
98 HD21 LEU 14 HD21 LEU 14 0.951 4.027 5.078
99 HD22 LEU 14 HD22 LEU 14 0.172 2.541 4.543
100 HD23 LEU 14 HD23 LEU 14 0.076 3.028 6.235
101 H LYS 15 H LYS 15 0.643 5.944 1.306
102 HA LYS 15 HA LYS 15 -1.139 7.680 0.141
103 HB2 LYS 15 HB2 LYS 15 0.996 8.491 0.563
104 HB3 LYS 15 HB3 LYS 15 1.779 7.133 -0.230
105 HG2 LYS 15 HG2 LYS 15 1.102 7.956 -2.373
106 HG3 LYS 15 HG3 LYS 15 0.230 9.296 -1.628
107 HD2 LYS 15 HD2 LYS 15 2.345 10.121 -0.680
108 HD3 LYS 15 HD3 LYS 15 3.207 8.795 -1.460
109 HE2 LYS 15 HE2 LYS 15 2.574 9.635 -3.646
110 HE3 LYS 15 HE3 LYS 15 1.616 10.913 -2.902
111 HZ1 LYS 15 HZ1 LYS 15 4.555 10.603 -2.615
112 HZ2 LYS 15 HZ2 LYS 15 3.618 11.854 -1.975
113 HZ3 LYS 15 HZ3 LYS 15 3.789 11.699 -3.649
114 HA PRO 16 HA PRO 16 -0.620 5.835 -4.175
115 HB2 PRO 16 HB2 PRO 16 0.838 3.654 -4.699
116 HB3 PRO 16 HB3 PRO 16 1.591 5.241 -4.498
117 HG2 PRO 16 HG2 PRO 16 1.342 2.996 -2.528
118 HG3 PRO 16 HG3 PRO 16 2.760 3.998 -2.904
119 HD2 PRO 16 HD2 PRO 16 1.142 4.452 -0.752
120 HD3 PRO 16 HD3 PRO 16 2.038 5.737 -1.586
121 H CYS 17 H CYS 17 -0.827 3.287 -1.729
122 HA CYS 17 HA CYS 17 -2.233 1.506 -3.474
123 HB2 CYS 17 HB2 CYS 17 -0.758 0.893 -1.452
124 HB3 CYS 17 HB3 CYS 17 -2.178 1.260 -0.478
125 H LYS 18 H LYS 18 -3.126 4.030 -1.273
126 HA LYS 18 HA LYS 18 -5.852 3.215 -0.981
127 HB2 LYS 18 HB2 LYS 18 -4.486 4.752 0.533
128 HB3 LYS 18 HB3 LYS 18 -4.768 6.001 -0.669
129 HG2 LYS 18 HG2 LYS 18 -7.158 5.819 -0.346
130 HG3 LYS 18 HG3 LYS 18 -6.916 4.507 0.814
131 HD2 LYS 18 HD2 LYS 18 -5.519 6.081 2.159
132 HD3 LYS 18 HD3 LYS 18 -6.037 7.373 1.076
133 HE2 LYS 18 HE2 LYS 18 -7.843 5.656 2.774
134 HE3 LYS 18 HE3 LYS 18 -7.403 7.332 3.097
135 HZ1 LYS 18 HZ1 LYS 18 -9.564 7.224 2.078
136 HZ2 LYS 18 HZ2 LYS 18 -8.962 6.342 0.770
137 HZ3 LYS 18 HZ3 LYS 18 -8.482 7.949 0.996
138 H LYS 19 H LYS 19 -4.048 5.324 -3.131
139 HA LYS 19 HA LYS 19 -6.314 6.348 -4.522
140 HB2 LYS 19 HB2 LYS 19 -4.142 7.507 -4.518
141 HB3 LYS 19 HB3 LYS 19 -3.418 6.163 -5.387
142 HG2 LYS 19 HG2 LYS 19 -3.883 8.016 -6.882
143 HG3 LYS 19 HG3 LYS 19 -4.866 6.613 -7.302
144 HD2 LYS 19 HD2 LYS 19 -6.777 7.597 -6.138
145 HD3 LYS 19 HD3 LYS 19 -5.794 8.995 -5.699
146 HE2 LYS 19 HE2 LYS 19 -5.514 9.559 -8.045
147 HE3 LYS 19 HE3 LYS 19 -6.421 8.125 -8.519
148 HZ1 LYS 19 HZ1 LYS 19 -7.502 10.399 -6.943
149 HZ2 LYS 19 HZ2 LYS 19 -8.367 9.030 -7.434
150 HZ3 LYS 19 HZ3 LYS 19 -7.787 10.118 -8.587
151 H ALA 20 H ALA 20 -4.393 3.473 -4.730
152 HA ALA 20 HA ALA 20 -5.175 2.598 -7.297
153 HB1 ALA 20 HB1 ALA 20 -3.309 1.606 -6.018
154 HB2 ALA 20 HB2 ALA 20 -4.461 0.395 -6.580
155 HB3 ALA 20 HB3 ALA 20 -4.477 0.909 -4.895
156 H GLY 21 H GLY 21 -6.456 1.805 -4.065
157 HA2 GLY 21 HA2 GLY 21 -9.090 2.104 -4.447
158 HA3 GLY 21 HA3 GLY 21 -8.800 0.575 -5.258
159 H MET 22 H MET 22 -6.637 0.802 -2.728
160 HA MET 22 HA MET 22 -8.432 -0.821 -1.076
161 HB2 MET 22 HB2 MET 22 -5.416 -0.714 -1.158
162 HB3 MET 22 HB3 MET 22 -6.334 -1.639 0.023
163 HG2 MET 22 HG2 MET 22 -5.724 -3.179 -1.634
164 HG3 MET 22 HG3 MET 22 -7.424 -2.810 -1.936
165 HE1 MET 22 HE1 MET 22 -6.221 -3.304 -5.587
166 HE2 MET 22 HE2 MET 22 -7.450 -3.688 -4.382
167 HE3 MET 22 HE3 MET 22 -5.793 -4.254 -4.165
168 H ARG 23 H ARG 23 -7.400 -0.684 1.406
169 HA ARG 23 HA ARG 23 -8.036 2.122 1.997
170 HB2 ARG 23 HB2 ARG 23 -8.296 -0.374 3.674
171 HB3 ARG 23 HB3 ARG 23 -8.603 1.240 4.294
172 HG2 ARG 23 HG2 ARG 23 -10.256 1.450 2.338
173 HG3 ARG 23 HG3 ARG 23 -10.111 -0.303 2.238
174 HD2 ARG 23 HD2 ARG 23 -10.796 1.078 4.804
175 HD3 ARG 23 HD3 ARG 23 -12.029 0.637 3.624
176 HE ARG 23 HE ARG 23 -10.870 -1.697 3.906
177 HH11 ARG 23 HH11 ARG 23 -11.608 0.663 6.383
178 HH12 ARG 23 HH12 ARG 23 -11.829 -0.524 7.628
179 HH21 ARG 23 HH21 ARG 23 -11.160 -3.257 5.528
180 HH22 ARG 23 HH22 ARG 23 -11.571 -2.767 7.143
181 H PHE 24 H PHE 24 -5.967 -0.465 3.241
182 HA PHE 24 HA PHE 24 -4.218 1.594 4.410
183 HB2 PHE 24 HB2 PHE 24 -3.987 -1.297 5.132
184 HB3 PHE 24 HB3 PHE 24 -3.748 0.133 6.140
185 HD1 PHE 24 HD2 PHE 24 -5.739 1.340 7.040
186 HD2 PHE 24 HD1 PHE 24 -6.038 -2.320 4.929
187 HE1 PHE 24 HE2 PHE 24 -8.035 1.050 7.875
188 HE2 PHE 24 HE1 PHE 24 -8.333 -2.623 5.744
189 HZ PHE 24 HZ PHE 24 -9.335 -0.937 7.235
190 H GLY 25 H GLY 25 -1.984 -0.167 4.767
191 HA2 GLY 25 HA2 GLY 25 -1.250 -1.439 2.356
192 HA3 GLY 25 HA3 GLY 25 -0.617 0.206 2.369
193 H LYS 26 H LYS 26 0.517 -2.672 2.659
194 HA LYS 26 HA LYS 26 2.325 -1.927 4.857
195 HB2 LYS 26 HB2 LYS 26 1.238 -4.658 4.176
196 HB3 LYS 26 HB3 LYS 26 2.609 -4.402 5.243
197 HG2 LYS 26 HG2 LYS 26 1.221 -3.118 6.758
198 HG3 LYS 26 HG3 LYS 26 -0.164 -3.325 5.684
199 HD2 LYS 26 HD2 LYS 26 -0.049 -5.749 6.008
200 HD3 LYS 26 HD3 LYS 26 1.336 -5.539 7.083
201 HE2 LYS 26 HE2 LYS 26 -0.707 -5.839 8.368
202 HE3 LYS 26 HE3 LYS 26 -0.053 -4.221 8.608
203 HZ1 LYS 26 HZ1 LYS 26 -2.290 -4.923 6.789
204 HZ2 LYS 26 HZ2 LYS 26 -1.670 -3.370 7.033
205 HZ3 LYS 26 HZ3 LYS 26 -2.443 -4.178 8.298
206 H CYS 27 H CYS 27 4.441 -3.135 4.664
207 HA CYS 27 HA CYS 27 5.241 -3.106 1.828
208 HB2 CYS 27 HB2 CYS 27 6.217 -1.365 3.454
209 HB3 CYS 27 HB3 CYS 27 7.120 -2.708 4.150
210 H ILE 28 H ILE 28 5.195 -5.167 1.191
211 HA ILE 28 HA ILE 28 5.981 -7.239 3.091
212 HB ILE 28 HB ILE 28 4.395 -7.342 0.521
213 HG12 ILE 28 HG12 ILE 28 2.676 -8.318 2.100
214 HG13 ILE 28 HG13 ILE 28 3.749 -7.872 3.418
215 HG21 ILE 28 HG21 ILE 28 4.092 -9.700 0.809
216 HG22 ILE 28 HG22 ILE 28 5.128 -9.704 2.239
217 HG23 ILE 28 HG23 ILE 28 5.815 -9.353 0.651
218 HD11 ILE 28 HD11 ILE 28 2.559 -5.951 1.443
219 HD12 ILE 28 HD12 ILE 28 3.535 -5.546 2.854
220 HD13 ILE 28 HD13 ILE 28 1.939 -6.267 3.065
221 H ASN 29 H ASN 29 6.235 -7.785 -0.379
222 HA ASN 29 HA ASN 29 9.108 -8.205 -0.047
223 HB2 ASN 29 HB2 ASN 29 7.141 -9.000 -2.175
224 HB3 ASN 29 HB3 ASN 29 8.878 -9.062 -2.476
225 HD21 ASN 29 HD21 ASN 29 8.070 -9.448 0.738
226 HD22 ASN 29 HD22 ASN 29 8.186 -11.182 0.838
227 H GLY 30 H GLY 30 8.563 -5.705 0.270
228 HA2 GLY 30 HA2 GLY 30 9.095 -3.576 -0.476
229 HA3 GLY 30 HA3 GLY 30 9.764 -4.307 -1.930
230 H LYS 31 H LYS 31 6.684 -5.428 -1.429
231 HA LYS 31 HA LYS 31 5.576 -3.493 -3.336
232 HB2 LYS 31 HB2 LYS 31 4.108 -5.336 -4.096
233 HB3 LYS 31 HB3 LYS 31 5.813 -5.688 -4.318
234 HG2 LYS 31 HG2 LYS 31 5.025 -7.689 -3.523
235 HG3 LYS 31 HG3 LYS 31 5.598 -6.923 -2.045
236 HD2 LYS 31 HD2 LYS 31 3.478 -7.887 -1.558
237 HD3 LYS 31 HD3 LYS 31 3.238 -6.142 -1.653
238 HE2 LYS 31 HE2 LYS 31 1.434 -7.285 -2.791
239 HE3 LYS 31 HE3 LYS 31 2.414 -6.407 -3.960
240 HZ1 LYS 31 HZ1 LYS 31 2.702 -9.307 -3.397
241 HZ2 LYS 31 HZ2 LYS 31 3.457 -8.433 -4.632
242 HZ3 LYS 31 HZ3 LYS 31 1.786 -8.675 -4.670
243 H CYS 32 H CYS 32 3.236 -3.152 -3.175
244 HA CYS 32 HA CYS 32 2.547 -2.803 -0.371
245 HB2 CYS 32 HB2 CYS 32 1.850 -1.428 -2.903
246 HB3 CYS 32 HB3 CYS 32 0.592 -1.484 -1.668
247 H ASP 33 H ASP 33 1.843 -4.912 0.155
248 HA ASP 33 HA ASP 33 -0.667 -5.795 -1.019
249 HB2 ASP 33 HB2 ASP 33 1.005 -7.430 -0.130
250 HB3 ASP 33 HB3 ASP 33 0.730 -6.763 1.479
251 H CYS 34 H CYS 34 -2.621 -5.127 -0.310
252 HA CYS 34 HA CYS 34 -2.737 -3.647 2.225
253 HB2 CYS 34 HB2 CYS 34 -4.042 -2.640 -0.295
254 HB3 CYS 34 HB3 CYS 34 -3.785 -1.779 1.217
255 H THR 35 H THR 35 -4.918 -3.364 3.051
256 HA THR 35 HA THR 35 -6.710 -5.500 2.163
257 HB THR 35 HB THR 35 -6.958 -3.742 4.613
258 HG1 THR 35 HG1 THR 35 -5.756 -6.284 4.208
259 HG21 THR 35 HG21 THR 35 -9.047 -4.805 3.740
260 HG22 THR 35 HG22 THR 35 -8.598 -5.311 5.372
261 HG23 THR 35 HG23 THR 35 -8.284 -6.377 4.001
262 HA PRO 36 HA PRO 36 -9.031 -2.327 0.121
263 HB2 PRO 36 HB2 PRO 36 -10.880 -3.886 -1.008
264 HB3 PRO 36 HB3 PRO 36 -9.188 -3.973 -1.505
265 HG2 PRO 36 HG2 PRO 36 -10.723 -5.782 0.316
266 HG3 PRO 36 HG3 PRO 36 -9.561 -6.198 -0.956
267 HD2 PRO 36 HD2 PRO 36 -8.962 -6.064 1.735
268 HD3 PRO 36 HD3 PRO 36 -7.773 -5.902 0.432
269 H LYS 37 H LYS 37 -11.745 -2.479 -0.269
270 HA LYS 37 HA LYS 37 -12.714 -1.521 2.231
271 HB2 LYS 37 HB2 LYS 37 -14.951 -1.633 0.691
272 HB3 LYS 37 HB3 LYS 37 -13.809 -0.303 0.698
273 HG2 LYS 37 HG2 LYS 37 -14.268 -0.813 -1.565
274 HG3 LYS 37 HG3 LYS 37 -12.642 -1.396 -1.231
275 HD2 LYS 37 HD2 LYS 37 -13.755 -3.055 -2.533
276 HD3 LYS 37 HD3 LYS 37 -13.626 -3.675 -0.886
277 HE2 LYS 37 HE2 LYS 37 -15.941 -2.995 -0.458
278 HE3 LYS 37 HE3 LYS 37 -16.065 -2.387 -2.109
279 HZ1 LYS 37 HZ1 LYS 37 -17.033 -4.569 -1.948
280 HZ2 LYS 37 HZ2 LYS 37 -15.606 -5.209 -1.308
281 HZ3 LYS 37 HZ3 LYS 37 -15.640 -4.648 -2.902
Start of MODEL 18
1 H1 VAL 1 H1 VAL 1 -4.927 -9.521 -2.274
2 H2 VAL 1 H2 VAL 1 -4.826 -9.751 -3.943
3 H3 VAL 1 H3 VAL 1 -6.307 -9.348 -3.237
4 HA VAL 1 HA VAL 1 -5.335 -7.456 -4.347
5 HB VAL 1 HB VAL 1 -5.215 -5.893 -2.344
6 HG11 VAL 1 HG11 VAL 1 -7.578 -6.041 -1.914
7 HG12 VAL 1 HG12 VAL 1 -7.620 -7.698 -2.517
8 HG13 VAL 1 HG13 VAL 1 -7.272 -6.367 -3.620
9 HG21 VAL 1 HG21 VAL 1 -4.404 -7.426 -0.677
10 HG22 VAL 1 HG22 VAL 1 -5.806 -8.471 -0.897
11 HG23 VAL 1 HG23 VAL 1 -6.004 -6.861 -0.205
12 H GLY 2 H GLY 2 -3.745 -5.550 -3.622
13 HA2 GLY 2 HA2 GLY 2 -1.413 -5.268 -2.820
14 HA3 GLY 2 HA3 GLY 2 -1.102 -6.853 -3.513
15 H ILE 3 H ILE 3 -0.403 -3.794 -4.028
16 HA ILE 3 HA ILE 3 -1.108 -3.746 -6.883
17 HB ILE 3 HB ILE 3 -0.798 -1.381 -6.809
18 HG12 ILE 3 HG12 ILE 3 0.250 -1.781 -3.997
19 HG13 ILE 3 HG13 ILE 3 1.236 -1.397 -5.400
20 HG21 ILE 3 HG21 ILE 3 -2.392 -0.749 -5.002
21 HG22 ILE 3 HG22 ILE 3 -2.231 -2.373 -4.349
22 HG23 ILE 3 HG23 ILE 3 -2.921 -2.134 -5.953
23 HD11 ILE 3 HD11 ILE 3 -0.687 0.323 -3.927
24 HD12 ILE 3 HD12 ILE 3 -0.242 0.695 -5.586
25 HD13 ILE 3 HD13 ILE 3 0.996 0.633 -4.332
26 H ASN 4 H ASN 4 0.593 -2.246 -8.051
27 HA ASN 4 HA ASN 4 3.234 -3.475 -7.666
28 HB2 ASN 4 HB2 ASN 4 2.314 -3.900 -9.877
29 HB3 ASN 4 HB3 ASN 4 2.002 -2.183 -10.112
30 HD21 ASN 4 HD21 ASN 4 4.434 -4.660 -9.959
31 HD22 ASN 4 HD22 ASN 4 5.701 -3.738 -10.688
32 H VAL 5 H VAL 5 4.550 -2.212 -6.550
33 HA VAL 5 HA VAL 5 4.896 0.565 -7.159
34 HB VAL 5 HB VAL 5 2.735 0.262 -5.665
35 HG11 VAL 5 HG11 VAL 5 3.240 0.401 -3.277
36 HG12 VAL 5 HG12 VAL 5 4.932 0.074 -3.627
37 HG13 VAL 5 HG13 VAL 5 3.704 -1.140 -3.987
38 HG21 VAL 5 HG21 VAL 5 3.107 2.436 -4.649
39 HG22 VAL 5 HG22 VAL 5 3.712 2.421 -6.306
40 HG23 VAL 5 HG23 VAL 5 4.838 2.307 -4.955
41 H ASP 6 H ASP 6 6.263 1.503 -5.141
42 HA ASP 6 HA ASP 6 8.130 -0.586 -4.234
43 HB2 ASP 6 HB2 ASP 6 8.916 2.198 -5.118
44 HB3 ASP 6 HB3 ASP 6 10.000 0.955 -4.513
45 H CYS 7 H CYS 7 7.868 -0.676 -2.103
46 HA CYS 7 HA CYS 7 7.041 1.720 -0.679
47 HB2 CYS 7 HB2 CYS 7 6.981 0.094 1.313
48 HB3 CYS 7 HB3 CYS 7 5.753 -0.052 0.078
49 H LYS 8 H LYS 8 8.428 3.004 0.210
50 HA LYS 8 HA LYS 8 11.066 2.206 0.991
51 HB2 LYS 8 HB2 LYS 8 9.473 4.630 1.870
52 HB3 LYS 8 HB3 LYS 8 11.217 4.426 1.980
53 HG2 LYS 8 HG2 LYS 8 11.437 4.481 -0.407
54 HG3 LYS 8 HG3 LYS 8 9.684 4.485 -0.610
55 HD2 LYS 8 HD2 LYS 8 10.470 6.721 -0.926
56 HD3 LYS 8 HD3 LYS 8 9.621 6.655 0.620
57 HE2 LYS 8 HE2 LYS 8 11.628 7.939 0.897
58 HE3 LYS 8 HE3 LYS 8 11.814 6.410 1.753
59 HZ1 LYS 8 HZ1 LYS 8 12.892 6.969 -0.958
60 HZ2 LYS 8 HZ2 LYS 8 13.152 5.571 -0.041
61 HZ3 LYS 8 HZ3 LYS 8 13.793 7.049 0.472
62 H HIS 9 H HIS 9 7.888 2.223 2.308
63 HA HIS 9 HA HIS 9 8.446 0.412 4.350
64 HB2 HIS 9 HB2 HIS 9 7.943 1.876 6.349
65 HB3 HIS 9 HB3 HIS 9 9.538 2.094 5.640
66 HD1 HIS 9 HD1 HIS 9 9.928 4.328 4.310
67 HD2 HIS 9 HD2 HIS 9 6.342 4.117 6.395
68 HE1 HIS 9 HE1 HIS 9 9.030 6.659 4.341
69 HE2 HIS 9 HE2 HIS 9 7.020 6.553 5.854
70 H SER 10 H SER 10 6.474 0.090 5.790
71 HA SER 10 HA SER 10 4.257 -0.096 4.069
72 HB2 SER 10 HB2 SER 10 3.066 -0.769 6.249
73 HB3 SER 10 HB3 SER 10 4.427 -1.753 5.711
74 HG SER 10 HG SER 10 4.269 0.067 7.845
75 H GLY 11 H GLY 11 5.059 2.207 6.608
76 HA2 GLY 11 HA2 GLY 11 2.607 3.430 6.993
77 HA3 GLY 11 HA3 GLY 11 4.154 4.245 7.143
78 H GLN 12 H GLN 12 4.941 4.006 4.393
79 HA GLN 12 HA GLN 12 3.280 6.172 3.378
80 HB2 GLN 12 HB2 GLN 12 5.074 6.584 1.777
81 HB3 GLN 12 HB3 GLN 12 5.695 6.527 3.415
82 HG2 GLN 12 HG2 GLN 12 7.286 5.322 2.338
83 HG3 GLN 12 HG3 GLN 12 6.190 4.031 2.819
84 HE21 GLN 12 HE21 GLN 12 5.599 6.297 0.200
85 HE22 GLN 12 HE22 GLN 12 5.693 5.128 -1.070
86 H CYS 13 H CYS 13 3.156 2.946 3.189
87 HA CYS 13 HA CYS 13 2.754 2.561 0.366
88 HB2 CYS 13 HB2 CYS 13 3.510 0.681 1.681
89 HB3 CYS 13 HB3 CYS 13 2.145 0.835 2.776
90 H LEU 14 H LEU 14 0.928 3.572 3.049
91 HA LEU 14 HA LEU 14 -1.690 2.985 2.326
92 HB2 LEU 14 HB2 LEU 14 -0.371 5.134 3.920
93 HB3 LEU 14 HB3 LEU 14 -2.066 5.282 3.555
94 HG LEU 14 HG LEU 14 -2.519 3.169 4.717
95 HD11 LEU 14 HD11 LEU 14 0.445 3.204 5.166
96 HD12 LEU 14 HD12 LEU 14 -0.501 1.956 4.361
97 HD13 LEU 14 HD13 LEU 14 -0.665 2.205 6.101
98 HD21 LEU 14 HD21 LEU 14 -0.895 5.133 6.316
99 HD22 LEU 14 HD22 LEU 14 -2.017 3.947 6.984
100 HD23 LEU 14 HD23 LEU 14 -2.619 5.255 5.964
101 H LYS 15 H LYS 15 0.400 5.651 1.379
102 HA LYS 15 HA LYS 15 -1.514 7.297 0.244
103 HB2 LYS 15 HB2 LYS 15 0.536 8.266 0.806
104 HB3 LYS 15 HB3 LYS 15 1.458 7.045 -0.059
105 HG2 LYS 15 HG2 LYS 15 0.614 7.935 -2.162
106 HG3 LYS 15 HG3 LYS 15 -0.228 9.212 -1.284
107 HD2 LYS 15 HD2 LYS 15 1.932 9.985 -0.387
108 HD3 LYS 15 HD3 LYS 15 2.754 8.729 -1.315
109 HE2 LYS 15 HE2 LYS 15 1.861 9.719 -3.387
110 HE3 LYS 15 HE3 LYS 15 1.122 11.002 -2.433
111 HZ1 LYS 15 HZ1 LYS 15 3.210 11.722 -3.374
112 HZ2 LYS 15 HZ2 LYS 15 4.029 10.442 -2.634
113 HZ3 LYS 15 HZ3 LYS 15 3.332 11.657 -1.688
114 HA PRO 16 HA PRO 16 -0.488 5.736 -4.138
115 HB2 PRO 16 HB2 PRO 16 0.964 3.508 -4.553
116 HB3 PRO 16 HB3 PRO 16 1.726 5.086 -4.308
117 HG2 PRO 16 HG2 PRO 16 1.268 2.874 -2.332
118 HG3 PRO 16 HG3 PRO 16 2.746 3.819 -2.624
119 HD2 PRO 16 HD2 PRO 16 1.066 4.397 -0.589
120 HD3 PRO 16 HD3 PRO 16 1.953 5.661 -1.464
121 H CYS 17 H CYS 17 -0.944 3.206 -1.735
122 HA CYS 17 HA CYS 17 -2.391 1.517 -3.551
123 HB2 CYS 17 HB2 CYS 17 -1.033 0.741 -1.529
124 HB3 CYS 17 HB3 CYS 17 -2.397 1.274 -0.549
125 H LYS 18 H LYS 18 -3.138 4.083 -1.349
126 HA LYS 18 HA LYS 18 -5.919 3.631 -1.124
127 HB2 LYS 18 HB2 LYS 18 -4.498 5.162 0.280
128 HB3 LYS 18 HB3 LYS 18 -4.453 6.267 -1.086
129 HG2 LYS 18 HG2 LYS 18 -6.780 6.671 -0.948
130 HG3 LYS 18 HG3 LYS 18 -7.001 5.355 0.211
131 HD2 LYS 18 HD2 LYS 18 -7.015 7.448 1.404
132 HD3 LYS 18 HD3 LYS 18 -5.534 6.562 1.786
133 HE2 LYS 18 HE2 LYS 18 -5.119 8.956 1.413
134 HE3 LYS 18 HE3 LYS 18 -4.267 7.934 0.260
135 HZ1 LYS 18 HZ1 LYS 18 -5.309 9.878 -0.773
136 HZ2 LYS 18 HZ2 LYS 18 -6.832 9.324 -0.289
137 HZ3 LYS 18 HZ3 LYS 18 -5.918 8.429 -1.391
138 H LYS 19 H LYS 19 -3.884 5.368 -3.405
139 HA LYS 19 HA LYS 19 -5.980 6.390 -5.026
140 HB2 LYS 19 HB2 LYS 19 -3.573 7.177 -4.984
141 HB3 LYS 19 HB3 LYS 19 -3.154 5.728 -5.879
142 HG2 LYS 19 HG2 LYS 19 -3.316 7.541 -7.415
143 HG3 LYS 19 HG3 LYS 19 -4.688 6.467 -7.687
144 HD2 LYS 19 HD2 LYS 19 -5.440 8.759 -7.762
145 HD3 LYS 19 HD3 LYS 19 -6.094 7.981 -6.321
146 HE2 LYS 19 HE2 LYS 19 -5.321 10.208 -5.774
147 HE3 LYS 19 HE3 LYS 19 -4.302 9.013 -4.979
148 HZ1 LYS 19 HZ1 LYS 19 -3.637 10.508 -7.456
149 HZ2 LYS 19 HZ2 LYS 19 -2.665 9.318 -6.754
150 HZ3 LYS 19 HZ3 LYS 19 -2.964 10.759 -5.926
151 H ALA 20 H ALA 20 -4.313 3.361 -4.793
152 HA ALA 20 HA ALA 20 -5.273 2.292 -7.275
153 HB1 ALA 20 HB1 ALA 20 -4.004 0.951 -4.887
154 HB2 ALA 20 HB2 ALA 20 -3.196 1.474 -6.365
155 HB3 ALA 20 HB3 ALA 20 -4.364 0.157 -6.422
156 H GLY 21 H GLY 21 -6.648 2.810 -4.218
157 HA2 GLY 21 HA2 GLY 21 -9.126 2.641 -4.400
158 HA3 GLY 21 HA3 GLY 21 -8.861 0.998 -4.956
159 H MET 22 H MET 22 -6.642 0.750 -2.869
160 HA MET 22 HA MET 22 -8.478 -0.334 -0.914
161 HB2 MET 22 HB2 MET 22 -5.489 -0.585 -1.212
162 HB3 MET 22 HB3 MET 22 -6.394 -1.311 0.109
163 HG2 MET 22 HG2 MET 22 -6.093 -3.011 -1.479
164 HG3 MET 22 HG3 MET 22 -7.769 -2.489 -1.640
165 HE1 MET 22 HE1 MET 22 -6.945 -3.401 -5.326
166 HE2 MET 22 HE2 MET 22 -8.088 -3.582 -3.996
167 HE3 MET 22 HE3 MET 22 -6.463 -4.253 -3.859
168 H ARG 23 H ARG 23 -7.509 -0.246 1.487
169 HA ARG 23 HA ARG 23 -7.630 2.623 2.060
170 HB2 ARG 23 HB2 ARG 23 -8.111 0.197 3.787
171 HB3 ARG 23 HB3 ARG 23 -8.108 1.836 4.421
172 HG2 ARG 23 HG2 ARG 23 -9.888 2.347 2.689
173 HG3 ARG 23 HG3 ARG 23 -9.999 0.602 2.457
174 HD2 ARG 23 HD2 ARG 23 -10.290 1.905 5.149
175 HD3 ARG 23 HD3 ARG 23 -11.657 1.631 4.070
176 HE ARG 23 HE ARG 23 -10.533 -0.815 4.230
177 HH11 ARG 23 HH11 ARG 23 -11.503 1.500 6.675
178 HH12 ARG 23 HH12 ARG 23 -11.874 0.282 7.852
179 HH21 ARG 23 HH21 ARG 23 -11.020 -2.401 5.771
180 HH22 ARG 23 HH22 ARG 23 -11.613 -1.938 7.336
181 H PHE 24 H PHE 24 -5.874 -0.174 3.381
182 HA PHE 24 HA PHE 24 -3.631 1.642 3.996
183 HB2 PHE 24 HB2 PHE 24 -3.600 -0.710 5.654
184 HB3 PHE 24 HB3 PHE 24 -3.651 0.982 6.144
185 HD1 PHE 24 HD1 PHE 24 -5.812 -1.723 4.867
186 HD2 PHE 24 HD2 PHE 24 -5.523 1.740 7.294
187 HE1 PHE 24 HE1 PHE 24 -8.107 -2.091 5.628
188 HE2 PHE 24 HE2 PHE 24 -7.829 1.391 8.077
189 HZ PHE 24 HZ PHE 24 -9.126 -0.531 7.248
190 H GLY 25 H GLY 25 -1.527 0.577 4.075
191 HA2 GLY 25 HA2 GLY 25 -1.401 -1.821 2.369
192 HA3 GLY 25 HA3 GLY 25 -0.456 -0.394 1.962
193 H LYS 26 H LYS 26 0.563 -3.012 2.479
194 HA LYS 26 HA LYS 26 2.295 -2.339 4.767
195 HB2 LYS 26 HB2 LYS 26 0.706 -4.268 5.188
196 HB3 LYS 26 HB3 LYS 26 1.528 -5.127 3.901
197 HG2 LYS 26 HG2 LYS 26 2.382 -5.903 5.980
198 HG3 LYS 26 HG3 LYS 26 3.637 -4.944 5.196
199 HD2 LYS 26 HD2 LYS 26 3.163 -3.066 6.626
200 HD3 LYS 26 HD3 LYS 26 1.772 -3.899 7.323
201 HE2 LYS 26 HE2 LYS 26 3.200 -5.554 8.324
202 HE3 LYS 26 HE3 LYS 26 4.611 -4.887 7.509
203 HZ1 LYS 26 HZ1 LYS 26 4.349 -2.858 8.793
204 HZ2 LYS 26 HZ2 LYS 26 4.510 -4.190 9.816
205 HZ3 LYS 26 HZ3 LYS 26 2.991 -3.495 9.571
206 H CYS 27 H CYS 27 4.513 -3.195 4.509
207 HA CYS 27 HA CYS 27 5.230 -3.277 1.664
208 HB2 CYS 27 HB2 CYS 27 6.201 -1.416 2.994
209 HB3 CYS 27 HB3 CYS 27 7.003 -2.601 4.017
210 H ILE 28 H ILE 28 5.164 -5.353 1.125
211 HA ILE 28 HA ILE 28 6.212 -7.365 2.944
212 HB ILE 28 HB ILE 28 4.626 -7.576 0.369
213 HG12 ILE 28 HG12 ILE 28 3.003 -8.691 2.014
214 HG13 ILE 28 HG13 ILE 28 3.996 -7.974 3.277
215 HG21 ILE 28 HG21 ILE 28 4.618 -9.860 0.414
216 HG22 ILE 28 HG22 ILE 28 5.140 -9.952 2.097
217 HG23 ILE 28 HG23 ILE 28 6.297 -9.513 0.837
218 HD11 ILE 28 HD11 ILE 28 2.644 -6.444 1.079
219 HD12 ILE 28 HD12 ILE 28 3.529 -5.772 2.453
220 HD13 ILE 28 HD13 ILE 28 2.017 -6.644 2.718
221 H ASN 29 H ASN 29 6.535 -8.290 -0.337
222 HA ASN 29 HA ASN 29 9.430 -8.171 -0.049
223 HB2 ASN 29 HB2 ASN 29 9.379 -9.611 -2.153
224 HB3 ASN 29 HB3 ASN 29 8.722 -10.327 -0.690
225 HD21 ASN 29 HD21 ASN 29 7.020 -7.946 -2.631
226 HD22 ASN 29 HD22 ASN 29 5.806 -9.028 -3.221
227 H GLY 30 H GLY 30 8.554 -5.703 -0.327
228 HA2 GLY 30 HA2 GLY 30 8.919 -3.802 -1.610
229 HA3 GLY 30 HA3 GLY 30 9.476 -4.838 -2.920
230 H LYS 31 H LYS 31 6.513 -5.617 -1.449
231 HA LYS 31 HA LYS 31 5.011 -4.543 -3.728
232 HB2 LYS 31 HB2 LYS 31 5.039 -6.902 -3.991
233 HB3 LYS 31 HB3 LYS 31 4.827 -7.175 -2.267
234 HG2 LYS 31 HG2 LYS 31 2.580 -5.861 -2.741
235 HG3 LYS 31 HG3 LYS 31 2.825 -6.544 -4.351
236 HD2 LYS 31 HD2 LYS 31 3.031 -8.787 -3.318
237 HD3 LYS 31 HD3 LYS 31 2.683 -8.060 -1.743
238 HE2 LYS 31 HE2 LYS 31 0.516 -7.288 -2.600
239 HE3 LYS 31 HE3 LYS 31 0.857 -8.056 -4.149
240 HZ1 LYS 31 HZ1 LYS 31 -0.558 -9.457 -2.824
241 HZ2 LYS 31 HZ2 LYS 31 0.536 -9.432 -1.535
242 HZ3 LYS 31 HZ3 LYS 31 0.954 -10.199 -2.985
243 H CYS 32 H CYS 32 3.202 -3.390 -3.218
244 HA CYS 32 HA CYS 32 2.570 -3.034 -0.416
245 HB2 CYS 32 HB2 CYS 32 1.918 -1.589 -2.918
246 HB3 CYS 32 HB3 CYS 32 0.663 -1.591 -1.679
247 H ASP 33 H ASP 33 1.889 -5.263 -0.081
248 HA ASP 33 HA ASP 33 -0.713 -5.983 -1.105
249 HB2 ASP 33 HB2 ASP 33 0.890 -7.709 -0.350
250 HB3 ASP 33 HB3 ASP 33 0.802 -7.063 1.285
251 H CYS 34 H CYS 34 -2.636 -5.344 -0.287
252 HA CYS 34 HA CYS 34 -2.488 -3.545 2.039
253 HB2 CYS 34 HB2 CYS 34 -4.082 -3.131 -0.489
254 HB3 CYS 34 HB3 CYS 34 -3.977 -2.023 0.871
255 H THR 35 H THR 35 -4.802 -2.879 2.717
256 HA THR 35 HA THR 35 -6.678 -5.111 2.376
257 HB THR 35 HB THR 35 -6.304 -3.426 4.869
258 HG1 THR 35 HG1 THR 35 -5.748 -6.161 4.270
259 HG21 THR 35 HG21 THR 35 -8.677 -4.132 4.221
260 HG22 THR 35 HG22 THR 35 -8.115 -4.591 5.833
261 HG23 THR 35 HG23 THR 35 -8.141 -5.785 4.534
262 HA PRO 36 HA PRO 36 -8.956 -1.698 0.694
263 HB2 PRO 36 HB2 PRO 36 -11.015 -3.092 -0.266
264 HB3 PRO 36 HB3 PRO 36 -9.411 -3.238 -0.975
265 HG2 PRO 36 HG2 PRO 36 -10.838 -5.085 0.881
266 HG3 PRO 36 HG3 PRO 36 -9.789 -5.461 -0.497
267 HD2 PRO 36 HD2 PRO 36 -9.004 -5.485 2.163
268 HD3 PRO 36 HD3 PRO 36 -7.909 -5.370 0.777
269 H LYS 37 H LYS 37 -11.717 -1.642 0.592
270 HA LYS 37 HA LYS 37 -12.389 -0.822 3.243
271 HB2 LYS 37 HB2 LYS 37 -13.979 -1.016 0.701
272 HB3 LYS 37 HB3 LYS 37 -14.750 -0.620 2.226
273 HG2 LYS 37 HG2 LYS 37 -14.368 1.463 1.381
274 HG3 LYS 37 HG3 LYS 37 -12.907 1.228 2.338
275 HD2 LYS 37 HD2 LYS 37 -11.661 0.620 0.363
276 HD3 LYS 37 HD3 LYS 37 -13.127 0.687 -0.621
277 HE2 LYS 37 HE2 LYS 37 -13.335 3.097 0.002
278 HE3 LYS 37 HE3 LYS 37 -11.757 2.979 0.777
279 HZ1 LYS 37 HZ1 LYS 37 -10.812 2.340 -1.375
280 HZ2 LYS 37 HZ2 LYS 37 -11.546 3.863 -1.441
281 HZ3 LYS 37 HZ3 LYS 37 -12.332 2.521 -2.102
Start of MODEL 19
1 H1 VAL 1 H1 VAL 1 -4.966 -9.573 -3.335
2 H2 VAL 1 H2 VAL 1 -5.059 -9.024 -4.930
3 H3 VAL 1 H3 VAL 1 -6.448 -9.069 -3.971
4 HA VAL 1 HA VAL 1 -5.600 -6.828 -4.220
5 HB VAL 1 HB VAL 1 -5.345 -6.291 -1.759
6 HG11 VAL 1 HG11 VAL 1 -7.636 -6.602 -1.337
7 HG12 VAL 1 HG12 VAL 1 -7.709 -8.050 -2.336
8 HG13 VAL 1 HG13 VAL 1 -7.504 -6.470 -3.089
9 HG21 VAL 1 HG21 VAL 1 -4.315 -8.384 -1.047
10 HG22 VAL 1 HG22 VAL 1 -5.772 -9.268 -1.499
11 HG23 VAL 1 HG23 VAL 1 -5.822 -8.103 -0.176
12 H GLY 2 H GLY 2 -3.950 -5.336 -2.898
13 HA2 GLY 2 HA2 GLY 2 -1.655 -4.962 -2.393
14 HA3 GLY 2 HA3 GLY 2 -1.270 -6.511 -3.139
15 H ILE 3 H ILE 3 -0.314 -3.658 -3.622
16 HA ILE 3 HA ILE 3 -1.361 -3.292 -6.345
17 HB ILE 3 HB ILE 3 -1.010 -0.977 -6.087
18 HG12 ILE 3 HG12 ILE 3 0.521 -1.623 -3.551
19 HG13 ILE 3 HG13 ILE 3 1.245 -1.127 -5.075
20 HG21 ILE 3 HG21 ILE 3 -2.205 -0.506 -3.917
21 HG22 ILE 3 HG22 ILE 3 -2.028 -2.211 -3.531
22 HG23 ILE 3 HG23 ILE 3 -2.969 -1.718 -4.935
23 HD11 ILE 3 HD11 ILE 3 -0.548 0.493 -3.320
24 HD12 ILE 3 HD12 ILE 3 0.037 1.015 -4.893
25 HD13 ILE 3 HD13 ILE 3 1.175 0.733 -3.575
26 H ASN 4 H ASN 4 0.242 -1.897 -7.655
27 HA ASN 4 HA ASN 4 2.812 -3.313 -7.684
28 HB2 ASN 4 HB2 ASN 4 1.618 -3.510 -9.779
29 HB3 ASN 4 HB3 ASN 4 1.345 -1.773 -9.842
30 HD21 ASN 4 HD21 ASN 4 3.722 -4.310 -10.172
31 HD22 ASN 4 HD22 ASN 4 4.892 -3.366 -11.030
32 H VAL 5 H VAL 5 4.169 -2.226 -6.423
33 HA VAL 5 HA VAL 5 4.905 0.470 -7.027
34 HB VAL 5 HB VAL 5 2.720 0.421 -5.457
35 HG11 VAL 5 HG11 VAL 5 3.329 0.624 -3.122
36 HG12 VAL 5 HG12 VAL 5 4.985 0.172 -3.511
37 HG13 VAL 5 HG13 VAL 5 3.673 -0.979 -3.764
38 HG21 VAL 5 HG21 VAL 5 3.415 2.590 -4.527
39 HG22 VAL 5 HG22 VAL 5 3.778 2.454 -6.246
40 HG23 VAL 5 HG23 VAL 5 5.067 2.278 -5.057
41 H ASP 6 H ASP 6 6.430 1.196 -5.056
42 HA ASP 6 HA ASP 6 7.941 -1.155 -4.127
43 HB2 ASP 6 HB2 ASP 6 9.149 1.431 -5.135
44 HB3 ASP 6 HB3 ASP 6 10.040 0.072 -4.468
45 H CYS 7 H CYS 7 7.798 -1.165 -1.980
46 HA CYS 7 HA CYS 7 7.252 1.329 -0.600
47 HB2 CYS 7 HB2 CYS 7 7.023 -0.127 1.429
48 HB3 CYS 7 HB3 CYS 7 5.879 -0.449 0.149
49 H LYS 8 H LYS 8 8.692 2.490 0.378
50 HA LYS 8 HA LYS 8 11.282 1.400 1.085
51 HB2 LYS 8 HB2 LYS 8 10.140 4.115 1.769
52 HB3 LYS 8 HB3 LYS 8 11.833 3.639 1.778
53 HG2 LYS 8 HG2 LYS 8 10.080 3.830 -0.663
54 HG3 LYS 8 HG3 LYS 8 11.279 5.022 -0.158
55 HD2 LYS 8 HD2 LYS 8 13.047 3.354 -0.408
56 HD3 LYS 8 HD3 LYS 8 11.850 2.151 -0.891
57 HE2 LYS 8 HE2 LYS 8 11.276 3.495 -2.841
58 HE3 LYS 8 HE3 LYS 8 12.441 4.722 -2.351
59 HZ1 LYS 8 HZ1 LYS 8 13.104 1.918 -3.052
60 HZ2 LYS 8 HZ2 LYS 8 14.211 3.122 -2.632
61 HZ3 LYS 8 HZ3 LYS 8 13.321 3.254 -4.063
62 H HIS 9 H HIS 9 8.171 1.687 2.320
63 HA HIS 9 HA HIS 9 8.593 0.193 4.612
64 HB2 HIS 9 HB2 HIS 9 8.119 1.943 6.381
65 HB3 HIS 9 HB3 HIS 9 9.734 1.987 5.697
66 HD1 HIS 9 HD1 HIS 9 10.292 4.002 4.123
67 HD2 HIS 9 HD2 HIS 9 6.599 4.229 6.012
68 HE1 HIS 9 HE1 HIS 9 9.480 6.335 3.737
69 HE2 HIS 9 HE2 HIS 9 7.358 6.518 5.086
70 H SER 10 H SER 10 6.558 0.010 5.927
71 HA SER 10 HA SER 10 4.376 -0.222 4.188
72 HB2 SER 10 HB2 SER 10 3.052 -0.637 6.293
73 HB3 SER 10 HB3 SER 10 4.505 -1.624 6.127
74 HG SER 10 HG SER 10 3.910 0.390 7.943
75 H GLY 11 H GLY 11 5.264 2.353 6.398
76 HA2 GLY 11 HA2 GLY 11 2.845 3.727 6.537
77 HA3 GLY 11 HA3 GLY 11 4.427 4.456 6.733
78 H GLN 12 H GLN 12 5.255 3.769 3.954
79 HA GLN 12 HA GLN 12 3.908 6.063 2.760
80 HB2 GLN 12 HB2 GLN 12 5.717 6.014 1.064
81 HB3 GLN 12 HB3 GLN 12 6.290 6.218 2.707
82 HG2 GLN 12 HG2 GLN 12 7.809 4.739 1.847
83 HG3 GLN 12 HG3 GLN 12 6.660 3.660 2.632
84 HE21 GLN 12 HE21 GLN 12 7.836 4.874 -0.416
85 HE22 GLN 12 HE22 GLN 12 7.140 3.629 -1.398
86 H CYS 13 H CYS 13 3.134 2.994 2.874
87 HA CYS 13 HA CYS 13 2.600 2.503 0.079
88 HB2 CYS 13 HB2 CYS 13 1.786 1.072 2.610
89 HB3 CYS 13 HB3 CYS 13 1.238 0.577 1.017
90 H LEU 14 H LEU 14 1.215 4.322 2.526
91 HA LEU 14 HA LEU 14 -1.512 3.757 2.299
92 HB2 LEU 14 HB2 LEU 14 -0.125 6.292 3.137
93 HB3 LEU 14 HB3 LEU 14 -1.819 5.947 3.402
94 HG LEU 14 HG LEU 14 0.545 4.531 4.623
95 HD11 LEU 14 HD11 LEU 14 0.037 6.639 5.660
96 HD12 LEU 14 HD12 LEU 14 -0.445 5.321 6.729
97 HD13 LEU 14 HD13 LEU 14 -1.664 6.199 5.803
98 HD21 LEU 14 HD21 LEU 14 -1.068 2.839 4.157
99 HD22 LEU 14 HD22 LEU 14 -2.384 3.847 4.757
100 HD23 LEU 14 HD23 LEU 14 -1.172 3.224 5.876
101 H LYS 15 H LYS 15 0.309 6.488 0.912
102 HA LYS 15 HA LYS 15 -1.823 7.651 -0.392
103 HB2 LYS 15 HB2 LYS 15 0.045 9.002 -0.117
104 HB3 LYS 15 HB3 LYS 15 1.141 7.786 -0.757
105 HG2 LYS 15 HG2 LYS 15 0.395 8.168 -2.963
106 HG3 LYS 15 HG3 LYS 15 -0.903 9.228 -2.421
107 HD2 LYS 15 HD2 LYS 15 0.883 10.594 -3.272
108 HD3 LYS 15 HD3 LYS 15 0.830 10.778 -1.519
109 HE2 LYS 15 HE2 LYS 15 3.116 10.574 -2.148
110 HE3 LYS 15 HE3 LYS 15 2.647 9.065 -1.372
111 HZ1 LYS 15 HZ1 LYS 15 3.924 8.575 -3.311
112 HZ2 LYS 15 HZ2 LYS 15 2.949 9.556 -4.281
113 HZ3 LYS 15 HZ3 LYS 15 2.322 8.129 -3.629
114 HA PRO 16 HA PRO 16 -0.660 5.370 -4.459
115 HB2 PRO 16 HB2 PRO 16 0.805 3.076 -4.272
116 HB3 PRO 16 HB3 PRO 16 1.511 4.661 -4.598
117 HG2 PRO 16 HG2 PRO 16 1.364 3.139 -2.034
118 HG3 PRO 16 HG3 PRO 16 2.696 4.110 -2.690
119 HD2 PRO 16 HD2 PRO 16 1.033 5.032 -0.757
120 HD3 PRO 16 HD3 PRO 16 1.781 6.095 -1.965
121 H CYS 17 H CYS 17 -1.154 3.551 -1.513
122 HA CYS 17 HA CYS 17 -2.623 1.421 -2.730
123 HB2 CYS 17 HB2 CYS 17 -1.472 1.208 -0.543
124 HB3 CYS 17 HB3 CYS 17 -2.615 2.352 0.149
125 H LYS 18 H LYS 18 -3.395 4.536 -1.335
126 HA LYS 18 HA LYS 18 -6.217 4.134 -1.275
127 HB2 LYS 18 HB2 LYS 18 -5.168 5.747 0.183
128 HB3 LYS 18 HB3 LYS 18 -4.498 6.612 -1.192
129 HG2 LYS 18 HG2 LYS 18 -6.721 7.269 -1.894
130 HG3 LYS 18 HG3 LYS 18 -7.427 6.343 -0.566
131 HD2 LYS 18 HD2 LYS 18 -5.430 8.540 -0.145
132 HD3 LYS 18 HD3 LYS 18 -7.172 8.839 -0.183
133 HE2 LYS 18 HE2 LYS 18 -5.716 6.995 1.714
134 HE3 LYS 18 HE3 LYS 18 -6.351 8.589 2.111
135 HZ1 LYS 18 HZ1 LYS 18 -7.861 6.887 2.847
136 HZ2 LYS 18 HZ2 LYS 18 -7.945 6.219 1.298
137 HZ3 LYS 18 HZ3 LYS 18 -8.580 7.757 1.591
138 H LYS 19 H LYS 19 -3.921 5.601 -3.506
139 HA LYS 19 HA LYS 19 -5.843 6.440 -5.415
140 HB2 LYS 19 HB2 LYS 19 -3.542 7.334 -5.309
141 HB3 LYS 19 HB3 LYS 19 -2.918 5.767 -5.801
142 HG2 LYS 19 HG2 LYS 19 -4.000 5.966 -7.949
143 HG3 LYS 19 HG3 LYS 19 -4.759 7.480 -7.458
144 HD2 LYS 19 HD2 LYS 19 -1.782 7.035 -7.631
145 HD3 LYS 19 HD3 LYS 19 -2.754 7.781 -8.897
146 HE2 LYS 19 HE2 LYS 19 -2.427 8.807 -6.077
147 HE3 LYS 19 HE3 LYS 19 -1.637 9.459 -7.510
148 HZ1 LYS 19 HZ1 LYS 19 -4.574 9.388 -7.064
149 HZ2 LYS 19 HZ2 LYS 19 -3.786 10.066 -8.398
150 HZ3 LYS 19 HZ3 LYS 19 -3.589 10.746 -6.863
151 H ALA 20 H ALA 20 -4.196 3.443 -4.764
152 HA ALA 20 HA ALA 20 -4.895 2.093 -7.156
153 HB1 ALA 20 HB1 ALA 20 -3.142 1.320 -5.553
154 HB2 ALA 20 HB2 ALA 20 -4.307 0.071 -5.994
155 HB3 ALA 20 HB3 ALA 20 -4.431 0.878 -4.432
156 H GLY 21 H GLY 21 -6.404 2.354 -3.964
157 HA2 GLY 21 HA2 GLY 21 -8.877 2.734 -4.148
158 HA3 GLY 21 HA3 GLY 21 -8.889 1.302 -5.164
159 H MET 22 H MET 22 -6.698 1.187 -2.540
160 HA MET 22 HA MET 22 -8.606 -0.527 -1.098
161 HB2 MET 22 HB2 MET 22 -5.613 -0.877 -1.315
162 HB3 MET 22 HB3 MET 22 -6.701 -1.905 -0.386
163 HG2 MET 22 HG2 MET 22 -7.862 -2.543 -2.423
164 HG3 MET 22 HG3 MET 22 -6.801 -1.500 -3.367
165 HE1 MET 22 HE1 MET 22 -5.447 -4.853 -4.615
166 HE2 MET 22 HE2 MET 22 -5.999 -3.230 -5.025
167 HE3 MET 22 HE3 MET 22 -7.130 -4.399 -4.345
168 H ARG 23 H ARG 23 -7.379 -0.930 1.298
169 HA ARG 23 HA ARG 23 -7.791 1.777 2.323
170 HB2 ARG 23 HB2 ARG 23 -7.910 -0.895 3.724
171 HB3 ARG 23 HB3 ARG 23 -8.186 0.649 4.516
172 HG2 ARG 23 HG2 ARG 23 -9.985 1.002 2.706
173 HG3 ARG 23 HG3 ARG 23 -9.840 -0.738 2.462
174 HD2 ARG 23 HD2 ARG 23 -10.313 0.430 5.177
175 HD3 ARG 23 HD3 ARG 23 -11.643 0.100 4.068
176 HE ARG 23 HE ARG 23 -10.256 -2.239 4.145
177 HH11 ARG 23 HH11 ARG 23 -11.709 -0.165 6.560
178 HH12 ARG 23 HH12 ARG 23 -12.035 -1.463 7.665
179 HH21 ARG 23 HH21 ARG 23 -10.670 -3.942 5.588
180 HH22 ARG 23 HH22 ARG 23 -11.442 -3.624 7.107
181 H PHE 24 H PHE 24 -5.878 -0.868 3.708
182 HA PHE 24 HA PHE 24 -3.819 1.131 4.358
183 HB2 PHE 24 HB2 PHE 24 -3.579 -1.416 5.741
184 HB3 PHE 24 HB3 PHE 24 -3.674 0.210 6.416
185 HD1 PHE 24 HD1 PHE 24 -5.607 -2.597 5.140
186 HD2 PHE 24 HD2 PHE 24 -5.706 0.984 7.396
187 HE1 PHE 24 HE1 PHE 24 -7.889 -3.139 5.849
188 HE2 PHE 24 HE2 PHE 24 -7.997 0.459 8.139
189 HZ PHE 24 HZ PHE 24 -9.092 -1.609 7.369
190 H GLY 25 H GLY 25 -1.584 0.323 4.377
191 HA2 GLY 25 HA2 GLY 25 -1.162 -1.755 2.335
192 HA3 GLY 25 HA3 GLY 25 -0.391 -0.184 2.178
193 H LYS 26 H LYS 26 0.512 -3.067 2.646
194 HA LYS 26 HA LYS 26 2.297 -2.509 4.925
195 HB2 LYS 26 HB2 LYS 26 0.638 -4.398 5.218
196 HB3 LYS 26 HB3 LYS 26 1.445 -5.214 3.891
197 HG2 LYS 26 HG2 LYS 26 3.414 -5.526 5.131
198 HG3 LYS 26 HG3 LYS 26 2.904 -4.380 6.371
199 HD2 LYS 26 HD2 LYS 26 2.668 -6.669 7.167
200 HD3 LYS 26 HD3 LYS 26 1.092 -5.895 7.024
201 HE2 LYS 26 HE2 LYS 26 0.792 -8.045 6.144
202 HE3 LYS 26 HE3 LYS 26 0.934 -6.997 4.737
203 HZ1 LYS 26 HZ1 LYS 26 3.029 -8.769 5.860
204 HZ2 LYS 26 HZ2 LYS 26 3.311 -7.652 4.626
205 HZ3 LYS 26 HZ3 LYS 26 2.240 -8.938 4.373
206 H CYS 27 H CYS 27 4.488 -3.349 4.680
207 HA CYS 27 HA CYS 27 5.314 -3.126 1.881
208 HB2 CYS 27 HB2 CYS 27 6.332 -1.566 3.528
209 HB3 CYS 27 HB3 CYS 27 7.024 -2.950 4.369
210 H ILE 28 H ILE 28 5.433 -4.991 0.892
211 HA ILE 28 HA ILE 28 6.326 -7.366 2.324
212 HB ILE 28 HB ILE 28 4.769 -6.850 -0.212
213 HG12 ILE 28 HG12 ILE 28 3.234 -8.506 0.901
214 HG13 ILE 28 HG13 ILE 28 4.313 -8.443 2.287
215 HG21 ILE 28 HG21 ILE 28 4.700 -9.215 -0.750
216 HG22 ILE 28 HG22 ILE 28 5.880 -9.549 0.514
217 HG23 ILE 28 HG23 ILE 28 6.341 -8.587 -0.892
218 HD11 ILE 28 HD11 ILE 28 3.003 -6.027 1.140
219 HD12 ILE 28 HD12 ILE 28 3.816 -6.187 2.695
220 HD13 ILE 28 HD13 ILE 28 2.277 -7.003 2.415
221 H ASN 29 H ASN 29 7.587 -8.738 0.195
222 HA ASN 29 HA ASN 29 10.177 -8.074 0.499
223 HB2 ASN 29 HB2 ASN 29 10.732 -9.280 -1.565
224 HB3 ASN 29 HB3 ASN 29 9.515 -10.131 -0.632
225 HD21 ASN 29 HD21 ASN 29 7.473 -10.376 -1.460
226 HD22 ASN 29 HD22 ASN 29 7.071 -9.986 -3.097
227 H GLY 30 H GLY 30 8.160 -6.768 -2.119
228 HA2 GLY 30 HA2 GLY 30 9.780 -4.354 -1.950
229 HA3 GLY 30 HA3 GLY 30 9.733 -5.153 -3.514
230 H LYS 31 H LYS 31 6.816 -5.611 -1.881
231 HA LYS 31 HA LYS 31 5.658 -3.509 -3.575
232 HB2 LYS 31 HB2 LYS 31 3.942 -5.040 -4.311
233 HB3 LYS 31 HB3 LYS 31 5.527 -5.712 -4.647
234 HG2 LYS 31 HG2 LYS 31 4.507 -7.569 -3.842
235 HG3 LYS 31 HG3 LYS 31 5.134 -6.912 -2.331
236 HD2 LYS 31 HD2 LYS 31 2.870 -7.549 -1.948
237 HD3 LYS 31 HD3 LYS 31 2.917 -5.787 -2.004
238 HE2 LYS 31 HE2 LYS 31 1.008 -6.529 -3.248
239 HE3 LYS 31 HE3 LYS 31 2.199 -5.905 -4.385
240 HZ1 LYS 31 HZ1 LYS 31 1.756 -8.776 -3.770
241 HZ2 LYS 31 HZ2 LYS 31 2.862 -8.162 -4.894
242 HZ3 LYS 31 HZ3 LYS 31 1.205 -7.974 -5.150
243 H CYS 32 H CYS 32 3.670 -2.648 -2.952
244 HA CYS 32 HA CYS 32 3.132 -2.822 -0.099
245 HB2 CYS 32 HB2 CYS 32 2.235 -0.928 -2.276
246 HB3 CYS 32 HB3 CYS 32 1.512 -0.902 -0.665
247 H ASP 33 H ASP 33 2.118 -4.793 0.107
248 HA ASP 33 HA ASP 33 -0.269 -5.384 -1.372
249 HB2 ASP 33 HB2 ASP 33 1.060 -7.261 -0.710
250 HB3 ASP 33 HB3 ASP 33 1.048 -6.748 0.972
251 H CYS 34 H CYS 34 -2.367 -5.201 -0.650
252 HA CYS 34 HA CYS 34 -2.671 -3.449 1.697
253 HB2 CYS 34 HB2 CYS 34 -3.884 -3.202 -1.048
254 HB3 CYS 34 HB3 CYS 34 -4.509 -2.339 0.349
255 H THR 35 H THR 35 -4.709 -3.468 2.737
256 HA THR 35 HA THR 35 -6.385 -5.800 2.141
257 HB THR 35 HB THR 35 -6.374 -4.005 4.580
258 HG1 THR 35 HG1 THR 35 -4.907 -6.202 3.905
259 HG21 THR 35 HG21 THR 35 -8.579 -5.062 3.956
260 HG22 THR 35 HG22 THR 35 -7.957 -5.496 5.552
261 HG23 THR 35 HG23 THR 35 -7.805 -6.630 4.211
262 HA PRO 36 HA PRO 36 -9.026 -2.780 0.286
263 HB2 PRO 36 HB2 PRO 36 -10.893 -4.405 -0.673
264 HB3 PRO 36 HB3 PRO 36 -9.233 -4.495 -1.270
265 HG2 PRO 36 HG2 PRO 36 -10.619 -6.236 0.734
266 HG3 PRO 36 HG3 PRO 36 -9.568 -6.702 -0.613
267 HD2 PRO 36 HD2 PRO 36 -8.733 -6.454 2.008
268 HD3 PRO 36 HD3 PRO 36 -7.662 -6.331 0.602
269 H LYS 37 H LYS 37 -11.715 -2.918 0.125
270 HA LYS 37 HA LYS 37 -12.545 -2.012 2.701
271 HB2 LYS 37 HB2 LYS 37 -14.304 -2.603 0.324
272 HB3 LYS 37 HB3 LYS 37 -14.688 -1.571 1.689
273 HG2 LYS 37 HG2 LYS 37 -12.650 -1.055 -0.456
274 HG3 LYS 37 HG3 LYS 37 -14.176 -0.213 -0.208
275 HD2 LYS 37 HD2 LYS 37 -13.308 0.502 2.031
276 HD3 LYS 37 HD3 LYS 37 -11.745 -0.173 1.562
277 HE2 LYS 37 HE2 LYS 37 -13.238 2.066 0.202
278 HE3 LYS 37 HE3 LYS 37 -11.750 2.202 1.135
279 HZ1 LYS 37 HZ1 LYS 37 -12.088 0.788 -1.453
280 HZ2 LYS 37 HZ2 LYS 37 -10.668 0.788 -0.540
281 HZ3 LYS 37 HZ3 LYS 37 -11.245 2.232 -1.194
Start of MODEL 20
1 H1 VAL 1 H1 VAL 1 -5.098 -9.277 -4.607
2 H2 VAL 1 H2 VAL 1 -6.521 -8.756 -3.863
3 H3 VAL 1 H3 VAL 1 -5.188 -9.209 -2.921
4 HA VAL 1 HA VAL 1 -5.263 -6.922 -4.790
5 HB VAL 1 HB VAL 1 -5.072 -5.547 -2.677
6 HG11 VAL 1 HG11 VAL 1 -7.432 -5.445 -2.315
7 HG12 VAL 1 HG12 VAL 1 -7.645 -7.096 -2.902
8 HG13 VAL 1 HG13 VAL 1 -7.163 -5.819 -4.020
9 HG21 VAL 1 HG21 VAL 1 -4.415 -7.335 -1.155
10 HG22 VAL 1 HG22 VAL 1 -5.976 -8.120 -1.390
11 HG23 VAL 1 HG23 VAL 1 -5.891 -6.548 -0.599
12 H GLY 2 H GLY 2 -3.480 -5.334 -3.737
13 HA2 GLY 2 HA2 GLY 2 -1.204 -5.328 -2.854
14 HA3 GLY 2 HA3 GLY 2 -1.022 -6.947 -3.516
15 H ILE 3 H ILE 3 -0.490 -3.691 -4.047
16 HA ILE 3 HA ILE 3 -0.871 -3.791 -6.935
17 HB ILE 3 HB ILE 3 -0.529 -1.433 -6.935
18 HG12 ILE 3 HG12 ILE 3 0.392 -1.743 -4.073
19 HG13 ILE 3 HG13 ILE 3 1.427 -1.392 -5.448
20 HG21 ILE 3 HG21 ILE 3 -2.204 -0.670 -5.295
21 HG22 ILE 3 HG22 ILE 3 -2.094 -2.230 -4.480
22 HG23 ILE 3 HG23 ILE 3 -2.708 -2.138 -6.131
23 HD11 ILE 3 HD11 ILE 3 -0.658 0.364 -4.225
24 HD12 ILE 3 HD12 ILE 3 0.116 0.717 -5.762
25 HD13 ILE 3 HD13 ILE 3 1.078 0.632 -4.286
26 H ASN 4 H ASN 4 0.874 -2.413 -8.111
27 HA ASN 4 HA ASN 4 3.480 -3.655 -7.560
28 HB2 ASN 4 HB2 ASN 4 2.610 -4.182 -9.780
29 HB3 ASN 4 HB3 ASN 4 2.366 -2.473 -10.119
30 HD21 ASN 4 HD21 ASN 4 4.701 -5.019 -9.753
31 HD22 ASN 4 HD22 ASN 4 6.028 -4.181 -10.477
32 H VAL 5 H VAL 5 4.697 -2.340 -6.395
33 HA VAL 5 HA VAL 5 5.105 0.404 -7.160
34 HB VAL 5 HB VAL 5 2.921 0.210 -5.718
35 HG11 VAL 5 HG11 VAL 5 3.331 0.350 -3.315
36 HG12 VAL 5 HG12 VAL 5 5.033 -0.003 -3.590
37 HG13 VAL 5 HG13 VAL 5 3.806 -1.206 -3.991
38 HG21 VAL 5 HG21 VAL 5 3.276 2.390 -4.790
39 HG22 VAL 5 HG22 VAL 5 4.082 2.317 -6.357
40 HG23 VAL 5 HG23 VAL 5 5.025 2.198 -4.874
41 H ASP 6 H ASP 6 6.404 1.404 -5.078
42 HA ASP 6 HA ASP 6 8.227 -0.660 -4.080
43 HB2 ASP 6 HB2 ASP 6 9.056 1.962 -5.309
44 HB3 ASP 6 HB3 ASP 6 10.126 0.919 -4.387
45 H CYS 7 H CYS 7 7.830 -0.629 -2.016
46 HA CYS 7 HA CYS 7 7.331 1.884 -0.627
47 HB2 CYS 7 HB2 CYS 7 6.990 0.273 1.360
48 HB3 CYS 7 HB3 CYS 7 5.772 0.326 0.104
49 H LYS 8 H LYS 8 8.944 2.937 0.314
50 HA LYS 8 HA LYS 8 11.393 1.673 1.064
51 HB2 LYS 8 HB2 LYS 8 11.175 4.126 0.565
52 HB3 LYS 8 HB3 LYS 8 10.242 4.300 2.042
53 HG2 LYS 8 HG2 LYS 8 12.504 4.977 2.445
54 HG3 LYS 8 HG3 LYS 8 12.160 3.484 3.325
55 HD2 LYS 8 HD2 LYS 8 13.262 2.194 1.551
56 HD3 LYS 8 HD3 LYS 8 13.623 3.692 0.692
57 HE2 LYS 8 HE2 LYS 8 14.966 4.445 2.599
58 HE3 LYS 8 HE3 LYS 8 14.615 2.935 3.437
59 HZ1 LYS 8 HZ1 LYS 8 16.777 2.881 2.359
60 HZ2 LYS 8 HZ2 LYS 8 16.063 3.175 0.856
61 HZ3 LYS 8 HZ3 LYS 8 15.742 1.730 1.675
62 H HIS 9 H HIS 9 8.283 2.004 2.362
63 HA HIS 9 HA HIS 9 8.717 0.356 4.598
64 HB2 HIS 9 HB2 HIS 9 8.115 2.133 6.348
65 HB3 HIS 9 HB3 HIS 9 9.766 2.138 5.746
66 HD1 HIS 9 HD1 HIS 9 10.530 4.161 4.396
67 HD2 HIS 9 HD2 HIS 9 6.560 4.376 5.597
68 HE1 HIS 9 HE1 HIS 9 9.775 6.475 3.795
69 HE2 HIS 9 HE2 HIS 9 7.432 6.647 4.714
70 H SER 10 H SER 10 6.680 0.226 5.973
71 HA SER 10 HA SER 10 4.486 -0.086 4.203
72 HB2 SER 10 HB2 SER 10 3.247 -0.571 6.409
73 HB3 SER 10 HB3 SER 10 4.590 -1.623 5.968
74 HG SER 10 HG SER 10 4.294 -0.167 8.172
75 H GLY 11 H GLY 11 5.349 2.408 6.505
76 HA2 GLY 11 HA2 GLY 11 2.906 3.676 6.847
77 HA3 GLY 11 HA3 GLY 11 4.463 4.482 6.915
78 H GLN 12 H GLN 12 5.120 3.903 4.117
79 HA GLN 12 HA GLN 12 3.607 6.131 2.997
80 HB2 GLN 12 HB2 GLN 12 5.359 6.463 1.513
81 HB3 GLN 12 HB3 GLN 12 6.198 5.831 2.922
82 HG2 GLN 12 HG2 GLN 12 6.235 3.609 1.901
83 HG3 GLN 12 HG3 GLN 12 5.402 4.249 0.486
84 HE21 GLN 12 HE21 GLN 12 7.004 3.831 -0.969
85 HE22 GLN 12 HE22 GLN 12 8.532 4.646 -0.957
86 H CYS 13 H CYS 13 3.159 2.927 3.133
87 HA CYS 13 HA CYS 13 2.771 2.309 0.338
88 HB2 CYS 13 HB2 CYS 13 3.608 0.609 1.889
89 HB3 CYS 13 HB3 CYS 13 2.146 0.745 2.852
90 H LEU 14 H LEU 14 0.980 3.679 2.847
91 HA LEU 14 HA LEU 14 -1.632 2.852 2.200
92 HB2 LEU 14 HB2 LEU 14 -0.485 5.209 3.652
93 HB3 LEU 14 HB3 LEU 14 -2.192 5.125 3.321
94 HG LEU 14 HG LEU 14 -2.392 3.091 4.647
95 HD11 LEU 14 HD11 LEU 14 -0.090 2.277 4.146
96 HD12 LEU 14 HD12 LEU 14 -0.568 2.139 5.837
97 HD13 LEU 14 HD13 LEU 14 0.519 3.433 5.328
98 HD21 LEU 14 HD21 LEU 14 -0.920 5.316 6.040
99 HD22 LEU 14 HD22 LEU 14 -1.876 4.069 6.840
100 HD23 LEU 14 HD23 LEU 14 -2.660 5.226 5.763
101 H LYS 15 H LYS 15 0.255 5.698 1.256
102 HA LYS 15 HA LYS 15 -1.684 7.127 -0.056
103 HB2 LYS 15 HB2 LYS 15 0.749 7.723 0.561
104 HB3 LYS 15 HB3 LYS 15 1.154 7.077 -1.020
105 HG2 LYS 15 HG2 LYS 15 -0.357 8.686 -2.060
106 HG3 LYS 15 HG3 LYS 15 -0.746 9.322 -0.461
107 HD2 LYS 15 HD2 LYS 15 1.611 9.922 -0.140
108 HD3 LYS 15 HD3 LYS 15 1.978 9.313 -1.754
109 HE2 LYS 15 HE2 LYS 15 0.481 10.979 -2.726
110 HE3 LYS 15 HE3 LYS 15 0.094 11.580 -1.114
111 HZ1 LYS 15 HZ1 LYS 15 1.751 12.963 -2.157
112 HZ2 LYS 15 HZ2 LYS 15 2.766 11.634 -2.404
113 HZ3 LYS 15 HZ3 LYS 15 2.435 12.165 -0.833
114 HA PRO 16 HA PRO 16 -0.472 5.283 -4.323
115 HB2 PRO 16 HB2 PRO 16 0.878 2.934 -4.435
116 HB3 PRO 16 HB3 PRO 16 1.692 4.504 -4.381
117 HG2 PRO 16 HG2 PRO 16 1.148 2.575 -2.153
118 HG3 PRO 16 HG3 PRO 16 2.643 3.459 -2.524
119 HD2 PRO 16 HD2 PRO 16 0.940 4.294 -0.611
120 HD3 PRO 16 HD3 PRO 16 1.850 5.434 -1.617
121 H CYS 17 H CYS 17 -1.180 3.019 -1.727
122 HA CYS 17 HA CYS 17 -2.750 1.293 -3.364
123 HB2 CYS 17 HB2 CYS 17 -1.989 1.514 -0.505
124 HB3 CYS 17 HB3 CYS 17 -3.434 0.613 -0.893
125 H LYS 18 H LYS 18 -3.247 4.107 -1.391
126 HA LYS 18 HA LYS 18 -6.055 3.874 -1.097
127 HB2 LYS 18 HB2 LYS 18 -4.626 5.291 0.330
128 HB3 LYS 18 HB3 LYS 18 -4.256 6.310 -1.048
129 HG2 LYS 18 HG2 LYS 18 -7.085 5.945 -0.152
130 HG3 LYS 18 HG3 LYS 18 -6.017 7.079 0.676
131 HD2 LYS 18 HD2 LYS 18 -5.543 8.085 -1.587
132 HD3 LYS 18 HD3 LYS 18 -6.866 7.100 -2.211
133 HE2 LYS 18 HE2 LYS 18 -8.403 8.153 -0.629
134 HE3 LYS 18 HE3 LYS 18 -7.083 9.135 0.003
135 HZ1 LYS 18 HZ1 LYS 18 -6.843 10.117 -2.216
136 HZ2 LYS 18 HZ2 LYS 18 -8.369 10.405 -1.550
137 HZ3 LYS 18 HZ3 LYS 18 -8.181 9.230 -2.750
138 H LYS 19 H LYS 19 -3.924 5.375 -3.469
139 HA LYS 19 HA LYS 19 -5.967 6.452 -5.118
140 HB2 LYS 19 HB2 LYS 19 -3.562 7.112 -5.240
141 HB3 LYS 19 HB3 LYS 19 -3.199 5.536 -5.929
142 HG2 LYS 19 HG2 LYS 19 -4.890 6.152 -7.751
143 HG3 LYS 19 HG3 LYS 19 -4.742 7.801 -7.143
144 HD2 LYS 19 HD2 LYS 19 -2.488 6.070 -8.154
145 HD3 LYS 19 HD3 LYS 19 -3.233 7.411 -9.025
146 HE2 LYS 19 HE2 LYS 19 -1.862 7.692 -6.358
147 HE3 LYS 19 HE3 LYS 19 -1.058 7.944 -7.903
148 HZ1 LYS 19 HZ1 LYS 19 -1.809 10.021 -6.934
149 HZ2 LYS 19 HZ2 LYS 19 -3.405 9.466 -6.918
150 HZ3 LYS 19 HZ3 LYS 19 -2.614 9.717 -8.390
151 H ALA 20 H ALA 20 -4.390 3.339 -4.876
152 HA ALA 20 HA ALA 20 -5.482 2.260 -7.284
153 HB1 ALA 20 HB1 ALA 20 -4.094 1.000 -4.922
154 HB2 ALA 20 HB2 ALA 20 -3.444 1.325 -6.530
155 HB3 ALA 20 HB3 ALA 20 -4.669 0.077 -6.312
156 H GLY 21 H GLY 21 -6.764 2.819 -4.183
157 HA2 GLY 21 HA2 GLY 21 -9.177 2.715 -4.022
158 HA3 GLY 21 HA3 GLY 21 -9.122 1.231 -4.956
159 H MET 22 H MET 22 -6.687 1.418 -2.589
160 HA MET 22 HA MET 22 -8.267 -0.381 -0.902
161 HB2 MET 22 HB2 MET 22 -5.284 -0.082 -1.190
162 HB3 MET 22 HB3 MET 22 -6.038 -1.070 0.051
163 HG2 MET 22 HG2 MET 22 -5.461 -2.553 -1.666
164 HG3 MET 22 HG3 MET 22 -7.203 -2.300 -1.821
165 HE1 MET 22 HE1 MET 22 -6.092 -2.746 -5.544
166 HE2 MET 22 HE2 MET 22 -7.206 -3.275 -4.283
167 HE3 MET 22 HE3 MET 22 -5.480 -3.598 -4.126
168 H ARG 23 H ARG 23 -7.174 -0.325 1.499
169 HA ARG 23 HA ARG 23 -7.749 2.450 2.307
170 HB2 ARG 23 HB2 ARG 23 -8.118 -0.170 3.757
171 HB3 ARG 23 HB3 ARG 23 -8.330 1.390 4.533
172 HG2 ARG 23 HG2 ARG 23 -10.006 1.903 2.712
173 HG3 ARG 23 HG3 ARG 23 -9.908 0.197 2.301
174 HD2 ARG 23 HD2 ARG 23 -10.527 1.108 5.085
175 HD3 ARG 23 HD3 ARG 23 -11.788 0.913 3.867
176 HE ARG 23 HE ARG 23 -10.568 -1.450 3.722
177 HH11 ARG 23 HH11 ARG 23 -11.650 0.389 6.500
178 HH12 ARG 23 HH12 ARG 23 -11.929 -1.018 7.471
179 HH21 ARG 23 HH21 ARG 23 -10.926 -3.273 4.977
180 HH22 ARG 23 HH22 ARG 23 -11.524 -3.118 6.599
181 H PHE 24 H PHE 24 -5.799 -0.316 3.355
182 HA PHE 24 HA PHE 24 -4.006 1.556 4.751
183 HB2 PHE 24 HB2 PHE 24 -3.866 -1.399 5.163
184 HB3 PHE 24 HB3 PHE 24 -3.623 -0.092 6.322
185 HD1 PHE 24 HD2 PHE 24 -5.570 0.996 7.382
186 HD2 PHE 24 HD1 PHE 24 -5.980 -2.283 4.730
187 HE1 PHE 24 HE2 PHE 24 -7.891 0.673 8.138
188 HE2 PHE 24 HE1 PHE 24 -8.296 -2.621 5.475
189 HZ PHE 24 HZ PHE 24 -9.253 -1.139 7.194
190 H GLY 25 H GLY 25 -1.822 -0.282 4.971
191 HA2 GLY 25 HA2 GLY 25 -1.095 -1.281 2.410
192 HA3 GLY 25 HA3 GLY 25 -0.344 0.280 2.707
193 H LYS 26 H LYS 26 0.458 -2.736 2.611
194 HA LYS 26 HA LYS 26 2.331 -2.509 4.866
195 HB2 LYS 26 HB2 LYS 26 0.526 -4.324 5.120
196 HB3 LYS 26 HB3 LYS 26 1.330 -5.134 3.784
197 HG2 LYS 26 HG2 LYS 26 2.179 -6.141 5.716
198 HG3 LYS 26 HG3 LYS 26 3.444 -5.043 5.166
199 HD2 LYS 26 HD2 LYS 26 3.417 -4.530 7.398
200 HD3 LYS 26 HD3 LYS 26 2.228 -3.369 6.807
201 HE2 LYS 26 HE2 LYS 26 1.611 -6.065 8.015
202 HE3 LYS 26 HE3 LYS 26 1.468 -4.517 8.840
203 HZ1 LYS 26 HZ1 LYS 26 -0.218 -3.863 7.232
204 HZ2 LYS 26 HZ2 LYS 26 -0.667 -5.275 8.041
205 HZ3 LYS 26 HZ3 LYS 26 -0.087 -5.360 6.457
206 H CYS 27 H CYS 27 4.426 -3.301 4.424
207 HA CYS 27 HA CYS 27 5.046 -3.096 1.573
208 HB2 CYS 27 HB2 CYS 27 6.129 -1.533 3.204
209 HB3 CYS 27 HB3 CYS 27 6.937 -2.921 3.925
210 H ILE 28 H ILE 28 5.225 -4.975 0.531
211 HA ILE 28 HA ILE 28 6.401 -7.244 1.965
212 HB ILE 28 HB ILE 28 4.496 -7.034 -0.367
213 HG12 ILE 28 HG12 ILE 28 4.410 -8.208 2.388
214 HG13 ILE 28 HG13 ILE 28 3.368 -6.984 1.682
215 HG21 ILE 28 HG21 ILE 28 4.580 -9.400 -0.724
216 HG22 ILE 28 HG22 ILE 28 5.785 -9.595 0.547
217 HG23 ILE 28 HG23 ILE 28 6.204 -8.741 -0.938
218 HD11 ILE 28 HD11 ILE 28 2.458 -8.719 0.166
219 HD12 ILE 28 HD12 ILE 28 2.137 -9.014 1.875
220 HD13 ILE 28 HD13 ILE 28 3.403 -9.919 1.045
221 H ASN 29 H ASN 29 7.724 -8.672 0.255
222 HA ASN 29 HA ASN 29 10.079 -7.359 -0.072
223 HB2 ASN 29 HB2 ASN 29 10.858 -9.177 -1.476
224 HB3 ASN 29 HB3 ASN 29 9.860 -9.808 -0.173
225 HD21 ASN 29 HD21 ASN 29 7.857 -10.682 -0.645
226 HD22 ASN 29 HD22 ASN 29 7.381 -11.091 -2.255
227 H GLY 30 H GLY 30 7.514 -7.527 -2.516
228 HA2 GLY 30 HA2 GLY 30 8.882 -5.241 -3.756
229 HA3 GLY 30 HA3 GLY 30 8.427 -6.597 -4.771
230 H LYS 31 H LYS 31 6.031 -6.278 -2.414
231 HA LYS 31 HA LYS 31 4.475 -4.699 -4.352
232 HB2 LYS 31 HB2 LYS 31 2.628 -6.221 -4.184
233 HB3 LYS 31 HB3 LYS 31 4.074 -7.134 -4.595
234 HG2 LYS 31 HG2 LYS 31 4.296 -7.732 -2.193
235 HG3 LYS 31 HG3 LYS 31 2.728 -6.974 -1.917
236 HD2 LYS 31 HD2 LYS 31 3.202 -9.219 -3.870
237 HD3 LYS 31 HD3 LYS 31 2.658 -9.447 -2.211
238 HE2 LYS 31 HE2 LYS 31 0.670 -8.096 -2.680
239 HE3 LYS 31 HE3 LYS 31 1.216 -7.870 -4.340
240 HZ1 LYS 31 HZ1 LYS 31 1.079 -10.281 -4.649
241 HZ2 LYS 31 HZ2 LYS 31 -0.420 -9.619 -4.231
242 HZ3 LYS 31 HZ3 LYS 31 0.487 -10.455 -3.074
243 H CYS 32 H CYS 32 2.731 -3.511 -3.541
244 HA CYS 32 HA CYS 32 2.747 -3.090 -0.657
245 HB2 CYS 32 HB2 CYS 32 1.962 -1.467 -2.957
246 HB3 CYS 32 HB3 CYS 32 0.715 -1.509 -1.715
247 H ASP 33 H ASP 33 1.855 -4.973 0.087
248 HA ASP 33 HA ASP 33 -0.719 -5.859 -0.845
249 HB2 ASP 33 HB2 ASP 33 0.727 -7.558 -0.010
250 HB3 ASP 33 HB3 ASP 33 1.012 -6.684 1.490
251 H CYS 34 H CYS 34 -2.352 -4.556 -0.507
252 HA CYS 34 HA CYS 34 -2.658 -3.307 2.139
253 HB2 CYS 34 HB2 CYS 34 -3.509 -2.102 -0.496
254 HB3 CYS 34 HB3 CYS 34 -3.461 -1.315 1.080
255 H THR 35 H THR 35 -4.758 -3.236 2.972
256 HA THR 35 HA THR 35 -6.551 -5.170 1.744
257 HB THR 35 HB THR 35 -6.835 -3.749 4.400
258 HG1 THR 35 HG1 THR 35 -5.403 -5.993 3.601
259 HG21 THR 35 HG21 THR 35 -8.931 -4.646 3.381
260 HG22 THR 35 HG22 THR 35 -8.501 -5.392 4.922
261 HG23 THR 35 HG23 THR 35 -8.194 -6.250 3.412
262 HA PRO 36 HA PRO 36 -8.857 -1.832 0.023
263 HB2 PRO 36 HB2 PRO 36 -10.696 -3.263 -1.273
264 HB3 PRO 36 HB3 PRO 36 -8.998 -3.316 -1.747
265 HG2 PRO 36 HG2 PRO 36 -10.570 -5.270 -0.116
266 HG3 PRO 36 HG3 PRO 36 -9.401 -5.582 -1.413
267 HD2 PRO 36 HD2 PRO 36 -8.815 -5.699 1.278
268 HD3 PRO 36 HD3 PRO 36 -7.618 -5.414 0.003
269 H LYS 37 H LYS 37 -11.613 -1.995 -0.402
270 HA LYS 37 HA LYS 37 -12.560 -0.990 2.058
271 HB2 LYS 37 HB2 LYS 37 -14.074 -1.789 -0.426
272 HB3 LYS 37 HB3 LYS 37 -14.813 -0.998 0.950
273 HG2 LYS 37 HG2 LYS 37 -14.452 0.704 -0.599
274 HG3 LYS 37 HG3 LYS 37 -13.140 0.882 0.565
275 HD2 LYS 37 HD2 LYS 37 -11.556 -0.008 -0.918
276 HD3 LYS 37 HD3 LYS 37 -12.797 -0.700 -1.963
277 HE2 LYS 37 HE2 LYS 37 -11.813 1.257 -3.005
278 HE3 LYS 37 HE3 LYS 37 -13.501 1.558 -2.607
279 HZ1 LYS 37 HZ1 LYS 37 -12.091 3.440 -2.055
280 HZ2 LYS 37 HZ2 LYS 37 -11.172 2.479 -1.014
281 HZ3 LYS 37 HZ3 LYS 37 -12.795 2.790 -0.662