Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
23303 | 2juv RC | 15455 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 -0.875 -5.787 9.286
2 H2 GLY 1 H2 GLY 1 -1.795 -4.572 10.037
3 H3 GLY 1 H3 GLY 1 -0.746 -5.537 10.961
4 HA2 GLY 1 HA2 GLY 1 -0.103 -3.186 9.585
5 HA3 GLY 1 HA3 GLY 1 0.908 -4.068 10.767
6 H ILE 2 H ILE 2 -0.830 -3.426 7.603
7 HA ILE 2 HA ILE 2 1.031 -4.486 5.759
8 HB ILE 2 HB ILE 2 -1.185 -3.716 5.052
9 HG12 ILE 2 HG12 ILE 2 1.280 -2.501 3.825
10 HG13 ILE 2 HG13 ILE 2 0.226 -3.759 3.187
11 HG21 ILE 2 HG21 ILE 2 -1.080 -1.732 6.696
12 HG22 ILE 2 HG22 ILE 2 -1.848 -1.437 5.136
13 HG23 ILE 2 HG23 ILE 2 -0.199 -0.883 5.425
14 HD11 ILE 2 HD11 ILE 2 -0.274 -0.779 3.281
15 HD12 ILE 2 HD12 ILE 2 -1.578 -1.936 3.014
16 HD13 ILE 2 HD13 ILE 2 -0.241 -1.834 1.869
17 HA ABA 3 HA ABA 3 3.007 -0.075 5.858
18 H ABA 3 H ABA 3 0.917 -1.313 7.293
19 HB2 ABA 3 HB2 ABA 3 1.769 0.291 8.546
20 HB3 ABA 3 HB3 ABA 3 3.284 1.119 8.212
21 HG1 ABA 3 HG1 ABA 3 0.640 1.413 6.804
22 HG2 ABA 3 HG2 ABA 3 2.144 1.880 6.010
23 HG3 ABA 3 HG3 ABA 3 1.656 2.670 7.509
24 H GLU 4 H GLU 4 3.118 -2.086 8.754
25 HA GLU 4 HA GLU 4 5.906 -1.804 9.250
26 HB2 GLU 4 HB2 GLU 4 4.965 -2.810 11.052
27 HB3 GLU 4 HB3 GLU 4 3.698 -3.550 10.086
28 HG2 GLU 4 HG2 GLU 4 4.995 -5.348 10.972
29 HG3 GLU 4 HG3 GLU 4 5.463 -5.211 9.279
30 H GLN 5 H GLN 5 4.110 -3.788 6.970
31 HA GLN 5 HA GLN 5 6.617 -5.190 6.189
32 HB2 GLN 5 HB2 GLN 5 4.104 -6.179 6.454
33 HB3 GLN 5 HB3 GLN 5 4.085 -5.748 4.744
34 HG2 GLN 5 HG2 GLN 5 5.594 -7.364 4.188
35 HG3 GLN 5 HG3 GLN 5 6.544 -7.115 5.654
36 HE21 GLN 5 HE21 GLN 5 4.942 -9.523 4.218
37 HE22 GLN 5 HE22 GLN 5 4.264 -10.315 5.558
38 H CYS 6 H CYS 6 4.463 -2.670 5.216
39 HA CYS 6 HA CYS 6 5.753 -2.531 2.534
40 HB2 CYS 6 HB2 CYS 6 3.077 -1.968 3.530
41 HB3 CYS 6 HB3 CYS 6 3.726 -0.623 2.628
42 H CYS 7 H CYS 7 6.357 -1.412 5.497
43 HA CYS 7 HA CYS 7 7.346 1.204 4.450
44 HB2 CYS 7 HB2 CYS 7 5.475 1.369 6.183
45 HB3 CYS 7 HB3 CYS 7 6.606 0.670 7.320
46 H THR 8 H THR 8 7.985 -1.716 6.262
47 HA THR 8 HA THR 8 10.762 -0.776 6.811
48 HB THR 8 HB THR 8 10.899 -2.456 8.486
49 HG1 THR 8 HG1 THR 8 8.672 -3.546 7.137
50 HG21 THR 8 HG21 THR 8 9.039 -0.521 8.690
51 HG22 THR 8 HG22 THR 8 9.315 -1.706 9.967
52 HG23 THR 8 HG23 THR 8 7.990 -1.932 8.825
53 H SER 9 H SER 9 8.918 -2.665 4.682
54 HA SER 9 HA SER 9 11.398 -4.057 3.749
55 HG SER 9 HG SER 9 10.608 -5.716 5.341
56 HB2 SER 9 HB2 SER 9 8.573 -5.125 3.467
57 HB3 SER 9 HB3 SER 9 10.071 -5.962 3.069
58 H ILE 10 H ILE 10 8.754 -4.648 1.706
59 HA ILE 10 HA ILE 10 8.967 -2.156 0.181
60 HB ILE 10 HB ILE 10 10.409 -4.657 -0.576
61 HG12 ILE 10 HG12 ILE 10 11.499 -2.524 -1.906
62 HG13 ILE 10 HG13 ILE 10 10.818 -1.754 -0.474
63 HG21 ILE 10 HG21 ILE 10 10.204 -4.243 -2.954
64 HG22 ILE 10 HG22 ILE 10 9.190 -2.832 -2.659
65 HG23 ILE 10 HG23 ILE 10 8.584 -4.446 -2.288
66 HD11 ILE 10 HD11 ILE 10 13.049 -2.416 0.105
67 HD12 ILE 10 HD12 ILE 10 12.808 -4.029 -0.568
68 HD13 ILE 10 HD13 ILE 10 11.961 -3.552 0.903
69 H CYS 11 H CYS 11 7.580 -2.372 -1.880
70 HA CYS 11 HA CYS 11 5.471 -4.466 -1.565
71 HB2 CYS 11 HB2 CYS 11 4.637 -1.676 -2.228
72 HB3 CYS 11 HB3 CYS 11 3.698 -2.983 -1.515
73 H SER 12 H SER 12 4.038 -4.546 -3.482
74 HA SER 12 HA SER 12 5.411 -3.648 -5.974
75 HG SER 12 HG SER 12 5.267 -7.221 -4.905
76 HB2 SER 12 HB2 SER 12 4.030 -5.890 -6.761
77 HB3 SER 12 HB3 SER 12 5.752 -5.839 -6.412
78 H LEU 13 H LEU 13 4.029 -3.078 -7.658
79 HA LEU 13 HA LEU 13 1.729 -1.646 -6.959
80 HG LEU 13 HG LEU 13 2.107 -4.108 -9.438
81 HB2 LEU 13 HB2 LEU 13 1.247 -1.571 -9.383
82 HB3 LEU 13 HB3 LEU 13 2.959 -1.289 -9.054
83 HD11 LEU 13 HD11 LEU 13 1.985 -3.977 -11.806
84 HD12 LEU 13 HD12 LEU 13 2.585 -2.319 -11.821
85 HD13 LEU 13 HD13 LEU 13 0.960 -2.664 -11.226
86 HD21 LEU 13 HD21 LEU 13 4.513 -2.406 -9.736
87 HD22 LEU 13 HD22 LEU 13 4.337 -3.677 -10.946
88 HD23 LEU 13 HD23 LEU 13 4.384 -4.092 -9.232
89 H TYR 14 H TYR 14 1.980 -5.061 -7.285
90 HA TYR 14 HA TYR 14 -0.977 -5.202 -7.648
91 HD1 TYR 14 HD1 TYR 14 -1.810 -6.623 -9.931
92 HD2 TYR 14 HD2 TYR 14 -0.545 -9.085 -6.643
93 HE1 TYR 14 HE1 TYR 14 -3.870 -7.987 -10.160
94 HE2 TYR 14 HE2 TYR 14 -2.605 -10.449 -6.873
95 HH TYR 14 HH TYR 14 -4.466 -10.786 -8.026
96 HB2 TYR 14 HB2 TYR 14 0.554 -6.637 -9.118
97 HB3 TYR 14 HB3 TYR 14 0.979 -7.520 -7.653
98 H GLN 15 H GLN 15 1.691 -5.907 -5.601
99 HA GLN 15 HA GLN 15 0.278 -7.316 -3.542
100 HB2 GLN 15 HB2 GLN 15 2.848 -5.963 -3.969
101 HB3 GLN 15 HB3 GLN 15 2.288 -5.909 -2.302
102 HG2 GLN 15 HG2 GLN 15 1.795 -8.534 -3.206
103 HG3 GLN 15 HG3 GLN 15 3.416 -8.124 -3.766
104 HE21 GLN 15 HE21 GLN 15 5.051 -8.407 -2.244
105 HE22 GLN 15 HE22 GLN 15 4.816 -8.477 -0.564
106 H LEU 16 H LEU 16 0.791 -3.951 -4.424
107 HA LEU 16 HA LEU 16 -0.509 -2.945 -1.993
108 HG LEU 16 HG LEU 16 2.251 -2.528 -3.253
109 HB2 LEU 16 HB2 LEU 16 0.415 -1.593 -4.546
110 HB3 LEU 16 HB3 LEU 16 -0.196 -0.757 -3.133
111 HD11 LEU 16 HD11 LEU 16 3.225 -0.307 -2.296
112 HD12 LEU 16 HD12 LEU 16 1.780 0.420 -3.000
113 HD13 LEU 16 HD13 LEU 16 2.925 -0.441 -4.029
114 HD21 LEU 16 HD21 LEU 16 1.726 -2.987 -1.098
115 HD22 LEU 16 HD22 LEU 16 0.528 -1.695 -1.022
116 HD23 LEU 16 HD23 LEU 16 2.236 -1.330 -0.778
117 H GLU 17 H GLU 17 -1.283 -3.913 -5.207
118 HA GLU 17 HA GLU 17 -3.829 -2.544 -5.369
119 HB2 GLU 17 HB2 GLU 17 -2.564 -3.359 -7.360
120 HB3 GLU 17 HB3 GLU 17 -2.823 -5.012 -6.820
121 HG2 GLU 17 HG2 GLU 17 -5.247 -4.732 -6.994
122 HG3 GLU 17 HG3 GLU 17 -5.039 -3.041 -7.453
123 H ASN 18 H ASN 18 -2.586 -5.420 -3.887
124 HA ASN 18 HA ASN 18 -5.120 -6.830 -3.694
125 HB2 ASN 18 HB2 ASN 18 -2.679 -7.749 -3.489
126 HB3 ASN 18 HB3 ASN 18 -2.834 -7.278 -1.796
127 HD21 ASN 18 HD21 ASN 18 -3.374 -9.128 -0.624
128 HD22 ASN 18 HD22 ASN 18 -4.538 -10.271 -1.094
129 H TYR 19 H TYR 19 -3.621 -4.280 -1.894
130 HA TYR 19 HA TYR 19 -5.320 -4.772 0.469
131 HD1 TYR 19 HD1 TYR 19 -4.149 -4.972 2.602
132 HD2 TYR 19 HD2 TYR 19 -1.250 -3.723 -0.315
133 HE1 TYR 19 HE1 TYR 19 -2.516 -6.591 3.534
134 HE2 TYR 19 HE2 TYR 19 0.383 -5.342 0.618
135 HH TYR 19 HH TYR 19 0.788 -6.518 2.755
136 HB2 TYR 19 HB2 TYR 19 -3.303 -2.611 -0.186
137 HB3 TYR 19 HB3 TYR 19 -4.222 -2.672 1.319
138 H CYS 20 H CYS 20 -6.475 -4.062 -2.237
139 HA CYS 20 HA CYS 20 -7.494 -1.337 -1.851
140 HB2 CYS 20 HB2 CYS 20 -8.177 -3.488 -3.875
141 HB3 CYS 20 HB3 CYS 20 -8.882 -1.873 -3.875
142 H ASN 21 H ASN 21 -9.594 -0.792 -1.232
143 HA ASN 21 HA ASN 21 -11.560 -1.045 0.019
144 HB2 ASN 21 HB2 ASN 21 -12.390 -2.129 -1.974
145 HB3 ASN 21 HB3 ASN 21 -11.539 -3.620 -1.572
146 HD21 ASN 21 HD21 ASN 21 -13.461 -1.497 0.597
147 HD22 ASN 21 HD22 ASN 21 -14.586 -2.693 1.025
148 HA PHE 1 HA PHE 1 6.458 2.183 -7.719
149 HD1 PHE 1 HD1 PHE 1 3.703 2.265 -6.869
150 HD2 PHE 1 HD2 PHE 1 3.815 0.534 -10.801
151 HE1 PHE 1 HE1 PHE 1 1.587 3.425 -7.441
152 HE2 PHE 1 HE2 PHE 1 1.699 1.696 -11.373
153 HZ PHE 1 HZ PHE 1 0.585 3.139 -9.692
154 H1 PHE 1 H1 PHE 1 6.964 2.964 -10.060
155 H2 PHE 1 H2 PHE 1 5.378 3.208 -9.501
156 H3 PHE 1 H3 PHE 1 5.717 1.933 -10.571
157 HB2 PHE 1 HB2 PHE 1 5.323 -0.227 -9.111
158 HB3 PHE 1 HB3 PHE 1 5.142 0.274 -7.428
159 H VAL 2 H VAL 2 8.221 1.004 -6.982
160 HA VAL 2 HA VAL 2 9.674 -0.686 -8.960
161 HB VAL 2 HB VAL 2 11.794 0.367 -8.379
162 HG11 VAL 2 HG11 VAL 2 10.231 1.389 -10.135
163 HG12 VAL 2 HG12 VAL 2 11.483 2.454 -9.496
164 HG13 VAL 2 HG13 VAL 2 9.823 2.598 -8.918
165 HG21 VAL 2 HG21 VAL 2 10.531 2.583 -6.868
166 HG22 VAL 2 HG22 VAL 2 12.079 1.781 -6.604
167 HG23 VAL 2 HG23 VAL 2 10.591 1.035 -6.024
168 H ASN 3 H ASN 3 11.907 -0.674 -6.827
169 HA ASN 3 HA ASN 3 10.561 -2.612 -4.997
170 HB2 ASN 3 HB2 ASN 3 13.337 -2.501 -6.165
171 HB3 ASN 3 HB3 ASN 3 13.004 -3.437 -4.707
172 HD21 ASN 3 HD21 ASN 3 10.724 -4.760 -5.079
173 HD22 ASN 3 HD22 ASN 3 10.702 -5.655 -6.522
174 H GLN 4 H GLN 4 10.141 -0.257 -4.034
175 HA GLN 4 HA GLN 4 12.372 0.310 -2.133
176 HB2 GLN 4 HB2 GLN 4 11.932 2.079 -3.878
177 HB3 GLN 4 HB3 GLN 4 10.334 2.295 -3.164
178 HG2 GLN 4 HG2 GLN 4 11.198 3.128 -1.156
179 HG3 GLN 4 HG3 GLN 4 12.784 2.407 -1.430
180 HE21 GLN 4 HE21 GLN 4 14.242 3.496 -2.952
181 HE22 GLN 4 HE22 GLN 4 13.971 5.104 -3.424
182 H HIS 5 H HIS 5 11.517 1.477 -0.124
183 HA HIS 5 HA HIS 5 9.351 -0.116 1.040
184 HD2 HIS 5 HD2 HIS 5 12.514 -0.757 3.534
185 HE1 HIS 5 HE1 HIS 5 14.850 1.119 0.550
186 HE2 HIS 5 HE2 HIS 5 14.861 -0.618 2.418
187 HB2 HIS 5 HB2 HIS 5 10.506 2.207 2.512
188 HB3 HIS 5 HB3 HIS 5 10.168 0.575 3.084
189 H LEU 6 H LEU 6 7.766 1.345 2.524
190 HA LEU 6 HA LEU 6 6.933 3.737 0.972
191 HG LEU 6 HG LEU 6 4.183 3.588 -0.103
192 HB2 LEU 6 HB2 LEU 6 5.624 1.188 0.995
193 HB3 LEU 6 HB3 LEU 6 4.590 2.334 1.827
194 HD11 LEU 6 HD11 LEU 6 6.838 2.508 -1.103
195 HD12 LEU 6 HD12 LEU 6 6.451 4.179 -0.693
196 HD13 LEU 6 HD13 LEU 6 5.731 3.431 -2.115
197 HD21 LEU 6 HD21 LEU 6 3.136 1.898 -1.132
198 HD22 LEU 6 HD22 LEU 6 4.270 0.730 -0.455
199 HD23 LEU 6 HD23 LEU 6 4.634 1.528 -1.985
200 H CYS 7 H CYS 7 5.011 4.812 2.130
201 HA CYS 7 HA CYS 7 4.139 4.563 4.677
202 HB2 CYS 7 HB2 CYS 7 7.009 4.984 4.782
203 HB3 CYS 7 HB3 CYS 7 6.158 6.289 5.598
204 H GLY 8 H GLY 8 2.909 6.345 5.236
205 HA2 GLY 8 HA2 GLY 8 1.985 8.496 5.067
206 HA3 GLY 8 HA3 GLY 8 3.504 9.029 4.350
207 H SER 9 H SER 9 2.656 10.173 2.611
208 HA SER 9 HA SER 9 0.495 9.335 0.973
209 HG SER 9 HG SER 9 0.957 12.637 0.374
210 HB2 SER 9 HB2 SER 9 2.805 11.212 0.556
211 HB3 SER 9 HB3 SER 9 1.708 10.848 -0.773
212 H ASP 10 H ASP 10 3.858 8.410 0.979
213 HA ASP 10 HA ASP 10 4.097 7.395 -1.659
214 HB2 ASP 10 HB2 ASP 10 5.279 6.225 0.878
215 HB3 ASP 10 HB3 ASP 10 5.849 5.928 -0.765
216 H LEU 11 H LEU 11 2.818 5.855 1.278
217 HA LEU 11 HA LEU 11 2.242 3.359 -0.063
218 HG LEU 11 HG LEU 11 -0.026 2.313 1.831
219 HB2 LEU 11 HB2 LEU 11 2.564 3.736 2.445
220 HB3 LEU 11 HB3 LEU 11 0.927 4.387 2.456
221 HD11 LEU 11 HD11 LEU 11 2.795 1.470 1.093
222 HD12 LEU 11 HD12 LEU 11 1.430 1.685 -0.004
223 HD13 LEU 11 HD13 LEU 11 1.427 0.358 1.158
224 HD21 LEU 11 HD21 LEU 11 1.749 2.498 4.035
225 HD22 LEU 11 HD22 LEU 11 1.945 0.880 3.361
226 HD23 LEU 11 HD23 LEU 11 0.350 1.436 3.869
227 H VAL 12 H VAL 12 0.358 6.294 0.646
228 HA VAL 12 HA VAL 12 -2.116 5.131 -0.339
229 HB VAL 12 HB VAL 12 -3.109 7.147 0.187
230 HG11 VAL 12 HG11 VAL 12 -1.353 6.286 1.989
231 HG12 VAL 12 HG12 VAL 12 -2.266 7.775 2.236
232 HG13 VAL 12 HG13 VAL 12 -0.603 7.846 1.650
233 HG21 VAL 12 HG21 VAL 12 -0.522 8.537 -0.594
234 HG22 VAL 12 HG22 VAL 12 -1.984 9.353 -0.039
235 HG23 VAL 12 HG23 VAL 12 -1.993 8.467 -1.564
236 H GLU 13 H GLU 13 0.331 7.326 -1.739
237 HA GLU 13 HA GLU 13 -0.888 7.789 -4.224
238 HB2 GLU 13 HB2 GLU 13 1.199 8.501 -4.969
239 HB3 GLU 13 HB3 GLU 13 1.428 8.584 -3.225
240 HG2 GLU 13 HG2 GLU 13 2.318 6.190 -3.379
241 HG3 GLU 13 HG3 GLU 13 2.375 6.430 -5.122
242 H ALA 14 H ALA 14 0.629 4.885 -2.985
243 HA ALA 14 HA ALA 14 0.566 3.562 -5.619
244 HB1 ALA 14 HB1 ALA 14 1.583 1.698 -4.532
245 HB2 ALA 14 HB2 ALA 14 1.054 2.243 -2.940
246 HB3 ALA 14 HB3 ALA 14 2.325 3.119 -3.794
247 H LEU 15 H LEU 15 -1.017 3.198 -2.433
248 HA LEU 15 HA LEU 15 -2.862 1.195 -3.222
249 HG LEU 15 HG LEU 15 -1.323 1.966 -0.472
250 HB2 LEU 15 HB2 LEU 15 -3.038 3.400 -1.153
251 HB3 LEU 15 HB3 LEU 15 -4.229 2.107 -1.275
252 HD11 LEU 15 HD11 LEU 15 -2.132 0.955 1.452
253 HD12 LEU 15 HD12 LEU 15 -3.601 0.390 0.656
254 HD13 LEU 15 HD13 LEU 15 -3.420 2.096 1.065
255 HD21 LEU 15 HD21 LEU 15 -1.760 -0.632 -0.595
256 HD22 LEU 15 HD22 LEU 15 -1.201 0.232 -2.024
257 HD23 LEU 15 HD23 LEU 15 -2.905 -0.184 -1.860
258 H TYR 16 H TYR 16 -3.061 4.754 -3.305
259 HA TYR 16 HA TYR 16 -5.771 4.887 -4.234
260 HD1 TYR 16 HD1 TYR 16 -7.109 6.705 -5.095
261 HD2 TYR 16 HD2 TYR 16 -4.449 7.866 -1.925
262 HE1 TYR 16 HE1 TYR 16 -9.015 7.709 -3.866
263 HE2 TYR 16 HE2 TYR 16 -6.356 8.870 -0.695
264 HH TYR 16 HH TYR 16 -9.040 9.781 -1.890
265 HB2 TYR 16 HB2 TYR 16 -3.592 6.728 -3.768
266 HB3 TYR 16 HB3 TYR 16 -4.390 7.104 -5.293
267 H LEU 17 H LEU 17 -2.674 4.632 -5.953
268 HA LEU 17 HA LEU 17 -3.938 4.949 -8.561
269 HG LEU 17 HG LEU 17 -1.562 3.352 -10.148
270 HB2 LEU 17 HB2 LEU 17 -1.563 5.583 -8.119
271 HB3 LEU 17 HB3 LEU 17 -1.184 3.878 -7.885
272 HD11 LEU 17 HD11 LEU 17 -2.984 6.024 -10.400
273 HD12 LEU 17 HD12 LEU 17 -3.763 4.442 -10.355
274 HD13 LEU 17 HD13 LEU 17 -2.729 4.878 -11.715
275 HD21 LEU 17 HD21 LEU 17 -0.077 4.764 -11.318
276 HD22 LEU 17 HD22 LEU 17 0.383 4.999 -9.632
277 HD23 LEU 17 HD23 LEU 17 -0.616 6.201 -10.449
278 H VAL 18 H VAL 18 -3.270 2.307 -6.419
279 HA VAL 18 HA VAL 18 -3.717 0.313 -8.564
280 HB VAL 18 HB VAL 18 -3.050 -1.337 -6.975
281 HG11 VAL 18 HG11 VAL 18 -1.106 0.143 -5.746
282 HG12 VAL 18 HG12 VAL 18 -1.538 1.189 -7.098
283 HG13 VAL 18 HG13 VAL 18 -0.999 -0.463 -7.398
284 HG21 VAL 18 HG21 VAL 18 -4.363 -0.793 -5.065
285 HG22 VAL 18 HG22 VAL 18 -3.656 0.816 -4.946
286 HG23 VAL 18 HG23 VAL 18 -2.692 -0.602 -4.540
287 H CYS 19 H CYS 19 -5.313 1.786 -5.834
288 HA CYS 19 HA CYS 19 -7.621 -0.063 -6.142
289 HB2 CYS 19 HB2 CYS 19 -7.160 2.095 -4.064
290 HB3 CYS 19 HB3 CYS 19 -8.393 0.834 -4.019
291 H GLY 20 H GLY 20 -7.407 3.434 -5.424
292 HA2 GLY 20 HA2 GLY 20 -8.443 5.248 -6.516
293 HA3 GLY 20 HA3 GLY 20 -8.839 4.160 -7.846
294 H GLU 21 H GLU 21 -10.845 3.073 -7.824
295 HA GLU 21 HA GLU 21 -12.934 4.370 -6.295
296 HB2 GLU 21 HB2 GLU 21 -12.751 2.394 -8.470
297 HB3 GLU 21 HB3 GLU 21 -14.116 2.143 -7.383
298 HG2 GLU 21 HG2 GLU 21 -14.836 4.462 -7.704
299 HG3 GLU 21 HG3 GLU 21 -13.438 4.772 -8.731
300 H ARG 22 H ARG 22 -11.275 1.235 -6.060
301 HA ARG 22 HA ARG 22 -13.050 0.273 -3.976
302 HE ARG 22 HE ARG 22 -13.460 -2.957 -5.151
303 HB2 ARG 22 HB2 ARG 22 -10.267 -0.737 -4.557
304 HB3 ARG 22 HB3 ARG 22 -11.652 -1.627 -3.943
305 HG2 ARG 22 HG2 ARG 22 -11.250 -0.556 -6.738
306 HG3 ARG 22 HG3 ARG 22 -11.454 -2.238 -6.246
307 HD2 ARG 22 HD2 ARG 22 -13.574 -0.107 -5.859
308 HD3 ARG 22 HD3 ARG 22 -13.531 -1.211 -7.235
309 HH11 ARG 22 HH11 ARG 22 -15.555 -0.501 -6.292
310 HH12 ARG 22 HH12 ARG 22 -16.853 -0.909 -5.220
311 HH21 ARG 22 HH21 ARG 22 -15.048 -3.347 -3.538
312 HH22 ARG 22 HH22 ARG 22 -16.566 -2.523 -3.663
313 H GLY 23 H GLY 23 -10.989 2.793 -3.897
314 HA2 GLY 23 HA2 GLY 23 -9.653 3.789 -2.227
315 HA3 GLY 23 HA3 GLY 23 -10.893 3.148 -1.146
316 H PHE 24 H PHE 24 -8.870 2.977 0.303
317 HA PHE 24 HA PHE 24 -7.744 0.251 -0.091
318 HD1 PHE 24 HD1 PHE 24 -6.923 3.509 -1.719
319 HD2 PHE 24 HD2 PHE 24 -5.479 3.290 2.324
320 HE1 PHE 24 HE1 PHE 24 -6.863 5.987 -1.605
321 HE2 PHE 24 HE2 PHE 24 -5.417 5.768 2.436
322 HZ PHE 24 HZ PHE 24 -6.103 7.117 0.469
323 HB2 PHE 24 HB2 PHE 24 -5.592 1.325 1.000
324 HB3 PHE 24 HB3 PHE 24 -5.853 1.411 -0.739
325 H PHE 25 H PHE 25 -6.705 -0.538 1.999
326 HA PHE 25 HA PHE 25 -8.554 0.054 4.210
327 HD1 PHE 25 HD1 PHE 25 -7.438 -1.054 6.890
328 HD2 PHE 25 HD2 PHE 25 -9.424 -3.385 3.875
329 HE1 PHE 25 HE1 PHE 25 -9.085 -1.831 8.575
330 HE2 PHE 25 HE2 PHE 25 -11.071 -4.163 5.561
331 HZ PHE 25 HZ PHE 25 -10.901 -3.386 7.911
332 HB2 PHE 25 HB2 PHE 25 -7.447 -2.269 3.338
333 HB3 PHE 25 HB3 PHE 25 -6.324 -1.843 4.630
334 H TYR 26 H TYR 26 -5.031 -0.227 3.893
335 HA TYR 26 HA TYR 26 -3.298 0.835 5.067
336 HD1 TYR 26 HD1 TYR 26 -1.730 2.309 5.405
337 HD2 TYR 26 HD2 TYR 26 -5.034 4.853 6.444
338 HE1 TYR 26 HE1 TYR 26 -0.237 3.654 6.860
339 HE2 TYR 26 HE2 TYR 26 -3.541 6.198 7.900
340 HH TYR 26 HH TYR 26 -1.238 5.634 9.192
341 HB2 TYR 26 HB2 TYR 26 -4.096 2.809 3.911
342 HB3 TYR 26 HB3 TYR 26 -5.406 3.006 5.069
343 H THR 27 H THR 27 -2.898 -0.087 7.029
344 HA THR 27 HA THR 27 -4.806 0.493 9.255
345 HB THR 27 HB THR 27 -4.100 -1.530 10.289
346 HG1 THR 27 HG1 THR 27 -2.027 -1.602 8.354
347 HG21 THR 27 HG21 THR 27 -5.439 -1.690 8.072
348 HG22 THR 27 HG22 THR 27 -4.697 -3.163 8.697
349 HG23 THR 27 HG23 THR 27 -3.931 -2.280 7.375
350 H LYS 28 H LYS 28 -3.193 0.055 11.426
351 HA LYS 28 HA LYS 28 -0.634 1.376 11.230
352 HB2 LYS 28 HB2 LYS 28 -2.854 3.098 11.391
353 HB3 LYS 28 HB3 LYS 28 -2.213 3.022 13.017
354 HG2 LYS 28 HG2 LYS 28 -0.943 4.110 10.545
355 HG3 LYS 28 HG3 LYS 28 -0.953 4.745 12.184
356 HD2 LYS 28 HD2 LYS 28 0.433 2.355 12.461
357 HD3 LYS 28 HD3 LYS 28 0.974 2.939 10.892
358 HE2 LYS 28 HE2 LYS 28 1.601 3.941 13.571
359 HE3 LYS 28 HE3 LYS 28 2.447 4.203 12.049
360 HZ1 LYS 28 HZ1 LYS 28 0.475 5.768 11.552
361 HZ2 LYS 28 HZ2 LYS 28 1.708 6.299 12.590
362 HZ3 LYS 28 HZ3 LYS 28 0.234 5.746 13.232
363 HA PRO 29 HA PRO 29 -1.611 0.523 15.759
364 HB2 PRO 29 HB2 PRO 29 -4.205 0.269 16.569
365 HB3 PRO 29 HB3 PRO 29 -3.406 1.837 16.342
366 HG2 PRO 29 HG2 PRO 29 -5.487 0.557 14.658
367 HG3 PRO 29 HG3 PRO 29 -5.078 2.271 14.841
368 HD2 PRO 29 HD2 PRO 29 -4.292 0.523 12.724
369 HD3 PRO 29 HD3 PRO 29 -3.793 2.200 12.979
370 H THR 30 H THR 30 -4.211 -1.170 13.964
371 HA THR 30 HA THR 30 -2.989 -3.755 14.798
372 HB THR 30 HB THR 30 -5.520 -4.514 14.957
373 HG1 THR 30 HG1 THR 30 -5.639 -1.793 15.733
374 HG21 THR 30 HG21 THR 30 -4.790 -2.928 17.338
375 HG22 THR 30 HG22 THR 30 -3.533 -4.024 16.764
376 HG23 THR 30 HG23 THR 30 -5.125 -4.653 17.194
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 -2.273 -4.180 8.521
2 H2 GLY 1 H2 GLY 1 -2.503 -4.138 10.203
3 H3 GLY 1 H3 GLY 1 -2.488 -5.626 9.384
4 HA2 GLY 1 HA2 GLY 1 -0.173 -3.893 9.789
5 HA3 GLY 1 HA3 GLY 1 -0.392 -5.516 10.508
6 H ILE 2 H ILE 2 -0.777 -3.432 7.498
7 HA ILE 2 HA ILE 2 1.410 -4.884 6.126
8 HB ILE 2 HB ILE 2 -0.743 -4.505 4.940
9 HG12 ILE 2 HG12 ILE 2 1.850 -3.351 3.969
10 HG13 ILE 2 HG13 ILE 2 0.987 -4.775 3.402
11 HG21 ILE 2 HG21 ILE 2 -0.124 -1.609 4.616
12 HG22 ILE 2 HG22 ILE 2 -0.790 -2.104 6.172
13 HG23 ILE 2 HG23 ILE 2 -1.686 -2.425 4.688
14 HD11 ILE 2 HD11 ILE 2 0.407 -1.871 2.804
15 HD12 ILE 2 HD12 ILE 2 -0.822 -3.117 2.582
16 HD13 ILE 2 HD13 ILE 2 0.685 -3.192 1.668
17 HA ABA 3 HA ABA 3 2.443 -0.039 6.365
18 H ABA 3 H ABA 3 0.668 -1.795 7.527
19 HB2 ABA 3 HB2 ABA 3 2.137 -0.270 9.355
20 HB3 ABA 3 HB3 ABA 3 2.386 1.184 8.397
21 HG1 ABA 3 HG1 ABA 3 -0.101 -0.430 8.769
22 HG2 ABA 3 HG2 ABA 3 0.131 0.414 7.237
23 HG3 ABA 3 HG3 ABA 3 0.099 1.322 8.749
24 H GLU 4 H GLU 4 3.221 -2.355 8.938
25 HA GLU 4 HA GLU 4 5.993 -1.642 9.085
26 HB2 GLU 4 HB2 GLU 4 5.245 -2.753 10.983
27 HB3 GLU 4 HB3 GLU 4 4.268 -3.885 10.055
28 HG2 GLU 4 HG2 GLU 4 5.971 -5.354 9.830
29 HG3 GLU 4 HG3 GLU 4 7.148 -4.078 9.510
30 H GLN 5 H GLN 5 4.285 -4.327 7.442
31 HA GLN 5 HA GLN 5 6.693 -5.362 6.222
32 HB2 GLN 5 HB2 GLN 5 4.340 -6.486 6.575
33 HB3 GLN 5 HB3 GLN 5 3.969 -5.750 5.016
34 HG2 GLN 5 HG2 GLN 5 4.851 -7.746 4.269
35 HG3 GLN 5 HG3 GLN 5 6.339 -6.805 4.376
36 HE21 GLN 5 HE21 GLN 5 4.601 -9.523 5.724
37 HE22 GLN 5 HE22 GLN 5 5.779 -9.963 6.863
38 H CYS 6 H CYS 6 4.541 -2.765 5.487
39 HA CYS 6 HA CYS 6 5.704 -2.522 2.751
40 HB2 CYS 6 HB2 CYS 6 3.079 -2.007 3.886
41 HB3 CYS 6 HB3 CYS 6 3.679 -0.612 3.032
42 H CYS 7 H CYS 7 6.272 -1.388 5.808
43 HA CYS 7 HA CYS 7 7.268 1.204 4.711
44 HB2 CYS 7 HB2 CYS 7 5.528 1.402 6.526
45 HB3 CYS 7 HB3 CYS 7 6.659 0.600 7.600
46 H THR 8 H THR 8 8.007 -1.746 6.378
47 HA THR 8 HA THR 8 10.813 -0.850 6.823
48 HB THR 8 HB THR 8 11.058 -2.729 8.276
49 HG1 THR 8 HG1 THR 8 10.033 -4.240 6.919
50 HG21 THR 8 HG21 THR 8 8.258 -2.334 9.040
51 HG22 THR 8 HG22 THR 8 9.101 -0.820 8.710
52 HG23 THR 8 HG23 THR 8 9.731 -1.934 9.923
53 H SER 9 H SER 9 8.778 -2.716 4.774
54 HA SER 9 HA SER 9 11.192 -3.872 3.438
55 HG SER 9 HG SER 9 8.491 -5.848 4.980
56 HB2 SER 9 HB2 SER 9 8.417 -4.988 3.084
57 HB3 SER 9 HB3 SER 9 9.966 -5.779 2.815
58 H ILE 10 H ILE 10 9.099 -4.596 1.231
59 HA ILE 10 HA ILE 10 8.928 -1.857 0.043
60 HB ILE 10 HB ILE 10 10.279 -4.311 -0.909
61 HG12 ILE 10 HG12 ILE 10 11.722 -2.750 -1.995
62 HG13 ILE 10 HG13 ILE 10 10.529 -1.461 -1.876
63 HG21 ILE 10 HG21 ILE 10 8.253 -4.216 -2.397
64 HG22 ILE 10 HG22 ILE 10 9.781 -4.015 -3.248
65 HG23 ILE 10 HG23 ILE 10 8.774 -2.610 -2.907
66 HD11 ILE 10 HD11 ILE 10 10.927 -1.117 0.382
67 HD12 ILE 10 HD12 ILE 10 12.532 -1.612 -0.152
68 HD13 ILE 10 HD13 ILE 10 11.471 -2.774 0.641
69 H CYS 11 H CYS 11 7.378 -1.941 -1.958
70 HA CYS 11 HA CYS 11 5.242 -3.984 -1.702
71 HB2 CYS 11 HB2 CYS 11 4.433 -1.099 -1.726
72 HB3 CYS 11 HB3 CYS 11 3.491 -2.509 -1.244
73 H SER 12 H SER 12 4.774 -4.624 -3.735
74 HA SER 12 HA SER 12 5.537 -2.961 -6.026
75 HG SER 12 HG SER 12 5.363 -6.577 -5.400
76 HB2 SER 12 HB2 SER 12 4.033 -5.007 -7.068
77 HB3 SER 12 HB3 SER 12 5.771 -5.077 -6.803
78 H LEU 13 H LEU 13 4.041 -2.172 -7.571
79 HA LEU 13 HA LEU 13 1.788 -0.834 -6.500
80 HG LEU 13 HG LEU 13 2.246 -2.872 -9.284
81 HB2 LEU 13 HB2 LEU 13 1.209 -0.384 -8.875
82 HB3 LEU 13 HB3 LEU 13 2.923 -0.105 -8.544
83 HD11 LEU 13 HD11 LEU 13 2.097 -0.653 -11.340
84 HD12 LEU 13 HD12 LEU 13 0.722 -1.598 -10.767
85 HD13 LEU 13 HD13 LEU 13 2.016 -2.384 -11.671
86 HD21 LEU 13 HD21 LEU 13 4.503 -1.259 -9.128
87 HD22 LEU 13 HD22 LEU 13 4.222 -1.410 -10.862
88 HD23 LEU 13 HD23 LEU 13 4.426 -2.856 -9.872
89 H TYR 14 H TYR 14 2.102 -4.114 -7.399
90 HA TYR 14 HA TYR 14 -0.838 -4.356 -7.796
91 HD1 TYR 14 HD1 TYR 14 -1.706 -5.523 -10.061
92 HD2 TYR 14 HD2 TYR 14 0.052 -8.391 -7.386
93 HE1 TYR 14 HE1 TYR 14 -3.631 -7.045 -10.428
94 HE2 TYR 14 HE2 TYR 14 -1.874 -9.914 -7.753
95 HH TYR 14 HH TYR 14 -3.603 -10.290 -9.550
96 HB2 TYR 14 HB2 TYR 14 0.756 -5.483 -9.421
97 HB3 TYR 14 HB3 TYR 14 1.302 -6.492 -8.081
98 H GLN 15 H GLN 15 1.836 -5.122 -5.795
99 HA GLN 15 HA GLN 15 0.505 -6.884 -3.956
100 HB2 GLN 15 HB2 GLN 15 3.009 -5.361 -4.204
101 HB3 GLN 15 HB3 GLN 15 2.453 -5.550 -2.544
102 HG2 GLN 15 HG2 GLN 15 2.535 -7.903 -4.419
103 HG3 GLN 15 HG3 GLN 15 3.981 -7.402 -3.542
104 HE21 GLN 15 HE21 GLN 15 1.483 -9.552 -3.312
105 HE22 GLN 15 HE22 GLN 15 1.356 -9.674 -1.623
106 H LEU 16 H LEU 16 0.818 -3.419 -4.402
107 HA LEU 16 HA LEU 16 -0.489 -2.779 -1.858
108 HG LEU 16 HG LEU 16 2.184 -1.986 -2.958
109 HB2 LEU 16 HB2 LEU 16 0.319 -1.118 -4.266
110 HB3 LEU 16 HB3 LEU 16 -0.422 -0.452 -2.816
111 HD11 LEU 16 HD11 LEU 16 1.544 0.888 -2.259
112 HD12 LEU 16 HD12 LEU 16 2.362 0.331 -3.719
113 HD13 LEU 16 HD13 LEU 16 3.140 0.148 -2.148
114 HD21 LEU 16 HD21 LEU 16 2.114 -1.039 -0.449
115 HD22 LEU 16 HD22 LEU 16 1.445 -2.616 -0.871
116 HD23 LEU 16 HD23 LEU 16 0.379 -1.221 -0.711
117 H GLU 17 H GLU 17 -1.275 -3.405 -5.163
118 HA GLU 17 HA GLU 17 -3.893 -2.202 -5.164
119 HB2 GLU 17 HB2 GLU 17 -2.610 -2.841 -7.218
120 HB3 GLU 17 HB3 GLU 17 -2.825 -4.533 -6.788
121 HG2 GLU 17 HG2 GLU 17 -5.257 -4.297 -6.925
122 HG3 GLU 17 HG3 GLU 17 -5.090 -2.573 -7.268
123 H ASN 18 H ASN 18 -2.491 -5.108 -3.898
124 HA ASN 18 HA ASN 18 -4.947 -6.658 -3.762
125 HB2 ASN 18 HB2 ASN 18 -2.423 -7.415 -3.631
126 HB3 ASN 18 HB3 ASN 18 -2.642 -7.130 -1.904
127 HD21 ASN 18 HD21 ASN 18 -2.558 -9.442 -1.413
128 HD22 ASN 18 HD22 ASN 18 -3.841 -10.476 -1.822
129 H TYR 19 H TYR 19 -4.007 -3.917 -2.105
130 HA TYR 19 HA TYR 19 -5.437 -4.772 0.367
131 HD1 TYR 19 HD1 TYR 19 -3.965 -4.649 2.770
132 HD2 TYR 19 HD2 TYR 19 -1.708 -3.794 -0.786
133 HE1 TYR 19 HE1 TYR 19 -2.204 -6.234 3.507
134 HE2 TYR 19 HE2 TYR 19 0.052 -5.381 -0.050
135 HH TYR 19 HH TYR 19 -0.277 -7.204 3.001
136 HB2 TYR 19 HB2 TYR 19 -3.601 -2.423 -0.171
137 HB3 TYR 19 HB3 TYR 19 -4.462 -2.675 1.350
138 H CYS 20 H CYS 20 -6.702 -4.008 -2.257
139 HA CYS 20 HA CYS 20 -8.096 -1.505 -1.445
140 HB2 CYS 20 HB2 CYS 20 -8.442 -3.001 -4.050
141 HB3 CYS 20 HB3 CYS 20 -8.840 -1.321 -3.700
142 H ASN 21 H ASN 21 -10.068 -1.659 -0.514
143 HA ASN 21 HA ASN 21 -11.369 -4.273 -0.275
144 HB2 ASN 21 HB2 ASN 21 -11.294 -2.555 1.578
145 HB3 ASN 21 HB3 ASN 21 -12.404 -1.570 0.623
146 HD21 ASN 21 HD21 ASN 21 -12.914 -2.919 3.262
147 HD22 ASN 21 HD22 ASN 21 -14.248 -3.934 2.999
148 HA PHE 1 HA PHE 1 9.149 -3.192 -11.632
149 HD1 PHE 1 HD1 PHE 1 6.374 -1.883 -13.893
150 HD2 PHE 1 HD2 PHE 1 10.190 -3.753 -14.538
151 HE1 PHE 1 HE1 PHE 1 5.312 -3.521 -15.426
152 HE2 PHE 1 HE2 PHE 1 9.128 -5.390 -16.071
153 HZ PHE 1 HZ PHE 1 6.690 -5.275 -16.514
154 H1 PHE 1 H1 PHE 1 6.845 -2.884 -11.863
155 H2 PHE 1 H2 PHE 1 6.962 -1.197 -11.706
156 H3 PHE 1 H3 PHE 1 7.236 -2.199 -10.362
157 HB2 PHE 1 HB2 PHE 1 8.541 -0.745 -13.317
158 HB3 PHE 1 HB3 PHE 1 10.053 -1.652 -13.399
159 H VAL 2 H VAL 2 8.734 -2.058 -9.194
160 HA VAL 2 HA VAL 2 10.972 -0.096 -9.034
161 HB VAL 2 HB VAL 2 9.604 0.994 -7.132
162 HG11 VAL 2 HG11 VAL 2 8.409 1.299 -9.892
163 HG12 VAL 2 HG12 VAL 2 10.026 1.887 -9.503
164 HG13 VAL 2 HG13 VAL 2 8.623 2.538 -8.656
165 HG21 VAL 2 HG21 VAL 2 7.854 -1.103 -7.824
166 HG22 VAL 2 HG22 VAL 2 7.092 0.366 -8.435
167 HG23 VAL 2 HG23 VAL 2 7.518 0.238 -6.728
168 H ASN 3 H ASN 3 11.017 0.176 -6.248
169 HA ASN 3 HA ASN 3 10.710 -2.314 -4.850
170 HB2 ASN 3 HB2 ASN 3 13.003 -2.093 -6.541
171 HB3 ASN 3 HB3 ASN 3 13.542 -2.113 -4.866
172 HD21 ASN 3 HD21 ASN 3 10.703 -3.751 -6.351
173 HD22 ASN 3 HD22 ASN 3 11.186 -5.317 -5.908
174 H GLN 4 H GLN 4 9.958 0.001 -3.886
175 HA GLN 4 HA GLN 4 12.126 0.816 -2.002
176 HB2 GLN 4 HB2 GLN 4 11.089 2.452 -3.896
177 HB3 GLN 4 HB3 GLN 4 9.967 2.765 -2.571
178 HG2 GLN 4 HG2 GLN 4 12.257 2.858 -1.186
179 HG3 GLN 4 HG3 GLN 4 12.882 3.339 -2.764
180 HE21 GLN 4 HE21 GLN 4 10.777 4.847 -3.809
181 HE22 GLN 4 HE22 GLN 4 10.481 6.196 -2.823
182 H HIS 5 H HIS 5 11.291 1.735 0.068
183 HA HIS 5 HA HIS 5 9.140 0.038 1.122
184 HD2 HIS 5 HD2 HIS 5 12.129 -1.175 2.968
185 HE1 HIS 5 HE1 HIS 5 14.769 1.583 1.152
186 HE2 HIS 5 HE2 HIS 5 14.567 -0.751 2.164
187 HB2 HIS 5 HB2 HIS 5 10.300 2.222 2.785
188 HB3 HIS 5 HB3 HIS 5 9.964 0.544 3.209
189 H LEU 6 H LEU 6 7.628 1.411 2.779
190 HA LEU 6 HA LEU 6 6.721 3.875 1.386
191 HG LEU 6 HG LEU 6 3.910 3.762 0.473
192 HB2 LEU 6 HB2 LEU 6 5.430 1.321 1.353
193 HB3 LEU 6 HB3 LEU 6 4.436 2.406 2.306
194 HD11 LEU 6 HD11 LEU 6 5.355 3.673 -1.643
195 HD12 LEU 6 HD12 LEU 6 6.535 2.789 -0.682
196 HD13 LEU 6 HD13 LEU 6 6.095 4.437 -0.239
197 HD21 LEU 6 HD21 LEU 6 3.747 1.008 0.089
198 HD22 LEU 6 HD22 LEU 6 4.441 1.607 -1.418
199 HD23 LEU 6 HD23 LEU 6 2.901 2.245 -0.841
200 H CYS 7 H CYS 7 4.815 4.836 2.724
201 HA CYS 7 HA CYS 7 4.178 4.427 5.331
202 HB2 CYS 7 HB2 CYS 7 7.010 4.969 5.210
203 HB3 CYS 7 HB3 CYS 7 6.200 6.262 6.083
204 H GLY 8 H GLY 8 2.842 6.074 5.999
205 HA2 GLY 8 HA2 GLY 8 1.740 8.145 5.966
206 HA3 GLY 8 HA3 GLY 8 3.208 8.838 5.278
207 H SER 9 H SER 9 2.238 10.041 3.652
208 HA SER 9 HA SER 9 0.124 9.221 1.972
209 HG SER 9 HG SER 9 -0.339 11.585 1.934
210 HB2 SER 9 HB2 SER 9 1.878 11.437 2.139
211 HB3 SER 9 HB3 SER 9 1.986 10.836 0.487
212 H ASP 10 H ASP 10 3.560 8.536 1.791
213 HA ASP 10 HA ASP 10 3.770 7.648 -0.871
214 HB2 ASP 10 HB2 ASP 10 5.045 6.346 1.555
215 HB3 ASP 10 HB3 ASP 10 5.604 6.221 -0.112
216 H LEU 11 H LEU 11 2.443 5.987 1.953
217 HA LEU 11 HA LEU 11 2.003 3.499 0.520
218 HG LEU 11 HG LEU 11 -0.127 2.174 2.325
219 HB2 LEU 11 HB2 LEU 11 2.247 3.878 3.081
220 HB3 LEU 11 HB3 LEU 11 0.546 4.330 3.024
221 HD11 LEU 11 HD11 LEU 11 1.713 0.434 1.767
222 HD12 LEU 11 HD12 LEU 11 2.772 1.828 1.552
223 HD13 LEU 11 HD13 LEU 11 1.337 1.646 0.543
224 HD21 LEU 11 HD21 LEU 11 0.581 0.830 4.106
225 HD22 LEU 11 HD22 LEU 11 0.962 2.449 4.692
226 HD23 LEU 11 HD23 LEU 11 2.237 1.428 4.026
227 H VAL 12 H VAL 12 -0.102 6.221 1.519
228 HA VAL 12 HA VAL 12 -2.428 5.031 0.263
229 HB VAL 12 HB VAL 12 -3.600 6.864 1.005
230 HG11 VAL 12 HG11 VAL 12 -1.899 6.004 2.788
231 HG12 VAL 12 HG12 VAL 12 -2.798 7.489 3.105
232 HG13 VAL 12 HG13 VAL 12 -1.126 7.571 2.550
233 HG21 VAL 12 HG21 VAL 12 -2.525 9.190 1.116
234 HG22 VAL 12 HG22 VAL 12 -2.794 8.533 -0.499
235 HG23 VAL 12 HG23 VAL 12 -1.179 8.498 0.209
236 H GLU 13 H GLU 13 0.019 7.393 -0.758
237 HA GLU 13 HA GLU 13 -1.115 8.143 -3.227
238 HB2 GLU 13 HB2 GLU 13 0.988 8.966 -3.794
239 HB3 GLU 13 HB3 GLU 13 1.143 8.860 -2.043
240 HG2 GLU 13 HG2 GLU 13 3.073 7.751 -2.633
241 HG3 GLU 13 HG3 GLU 13 1.961 6.383 -2.657
242 H ALA 14 H ALA 14 0.432 5.157 -2.237
243 HA ALA 14 HA ALA 14 0.445 4.113 -4.999
244 HB1 ALA 14 HB1 ALA 14 2.276 3.291 -3.736
245 HB2 ALA 14 HB2 ALA 14 1.126 1.954 -3.735
246 HB3 ALA 14 HB3 ALA 14 1.271 2.992 -2.317
247 H LEU 15 H LEU 15 -1.199 3.477 -1.889
248 HA LEU 15 HA LEU 15 -2.975 1.477 -2.827
249 HG LEU 15 HG LEU 15 -1.565 2.167 -0.008
250 HB2 LEU 15 HB2 LEU 15 -3.291 3.600 -0.690
251 HB3 LEU 15 HB3 LEU 15 -4.447 2.287 -0.915
252 HD11 LEU 15 HD11 LEU 15 -2.478 1.541 1.940
253 HD12 LEU 15 HD12 LEU 15 -3.504 0.340 1.156
254 HD13 LEU 15 HD13 LEU 15 -4.030 2.020 1.255
255 HD21 LEU 15 HD21 LEU 15 -1.627 -0.312 -0.296
256 HD22 LEU 15 HD22 LEU 15 -1.679 0.531 -1.844
257 HD23 LEU 15 HD23 LEU 15 -3.154 -0.157 -1.166
258 H TYR 16 H TYR 16 -3.249 5.030 -2.773
259 HA TYR 16 HA TYR 16 -5.900 5.172 -3.858
260 HD1 TYR 16 HD1 TYR 16 -7.077 7.124 -5.016
261 HD2 TYR 16 HD2 TYR 16 -4.943 8.079 -1.410
262 HE1 TYR 16 HE1 TYR 16 -9.126 8.163 -4.079
263 HE2 TYR 16 HE2 TYR 16 -6.993 9.120 -0.472
264 HH TYR 16 HH TYR 16 -9.308 9.186 -0.742
265 HB2 TYR 16 HB2 TYR 16 -3.815 7.008 -3.149
266 HB3 TYR 16 HB3 TYR 16 -4.374 7.402 -4.772
267 H LEU 17 H LEU 17 -2.696 5.043 -5.384
268 HA LEU 17 HA LEU 17 -3.760 5.404 -8.066
269 HG LEU 17 HG LEU 17 -1.421 3.352 -9.079
270 HB2 LEU 17 HB2 LEU 17 -1.503 6.090 -7.768
271 HB3 LEU 17 HB3 LEU 17 -1.067 4.580 -6.971
272 HD11 LEU 17 HD11 LEU 17 -3.048 5.411 -9.788
273 HD12 LEU 17 HD12 LEU 17 -2.355 4.281 -10.949
274 HD13 LEU 17 HD13 LEU 17 -1.590 5.846 -10.678
275 HD21 LEU 17 HD21 LEU 17 0.439 5.721 -9.038
276 HD22 LEU 17 HD22 LEU 17 0.396 4.647 -10.437
277 HD23 LEU 17 HD23 LEU 17 0.822 4.011 -8.848
278 H VAL 18 H VAL 18 -3.392 2.714 -5.934
279 HA VAL 18 HA VAL 18 -3.652 0.801 -8.196
280 HB VAL 18 HB VAL 18 -3.017 -0.916 -6.677
281 HG11 VAL 18 HG11 VAL 18 -1.528 1.628 -6.593
282 HG12 VAL 18 HG12 VAL 18 -0.962 0.002 -6.975
283 HG13 VAL 18 HG13 VAL 18 -1.136 0.503 -5.293
284 HG21 VAL 18 HG21 VAL 18 -2.810 -0.421 -4.211
285 HG22 VAL 18 HG22 VAL 18 -4.465 -0.405 -4.816
286 HG23 VAL 18 HG23 VAL 18 -3.623 1.113 -4.516
287 H CYS 19 H CYS 19 -5.340 1.962 -5.320
288 HA CYS 19 HA CYS 19 -7.582 0.106 -5.835
289 HB2 CYS 19 HB2 CYS 19 -7.368 2.262 -3.718
290 HB3 CYS 19 HB3 CYS 19 -8.484 0.894 -3.740
291 H GLY 20 H GLY 20 -7.400 3.634 -5.219
292 HA2 GLY 20 HA2 GLY 20 -8.429 5.385 -6.438
293 HA3 GLY 20 HA3 GLY 20 -9.007 4.189 -7.602
294 H GLU 21 H GLU 21 -11.168 3.852 -7.567
295 HA GLU 21 HA GLU 21 -12.811 4.989 -5.454
296 HB2 GLU 21 HB2 GLU 21 -13.208 3.861 -8.105
297 HB3 GLU 21 HB3 GLU 21 -14.418 3.267 -6.968
298 HG2 GLU 21 HG2 GLU 21 -15.066 5.508 -6.365
299 HG3 GLU 21 HG3 GLU 21 -13.710 6.196 -7.261
300 H ARG 22 H ARG 22 -11.361 1.894 -6.049
301 HA ARG 22 HA ARG 22 -13.182 0.288 -4.513
302 HE ARG 22 HE ARG 22 -12.201 -3.322 -6.875
303 HB2 ARG 22 HB2 ARG 22 -11.306 -0.438 -6.159
304 HB3 ARG 22 HB3 ARG 22 -10.233 -0.274 -4.767
305 HG2 ARG 22 HG2 ARG 22 -10.955 -2.555 -4.795
306 HG3 ARG 22 HG3 ARG 22 -11.848 -1.763 -3.496
307 HD2 ARG 22 HD2 ARG 22 -13.758 -2.442 -4.476
308 HD3 ARG 22 HD3 ARG 22 -13.384 -1.371 -5.828
309 HH11 ARG 22 HH11 ARG 22 -15.149 -3.612 -5.339
310 HH12 ARG 22 HH12 ARG 22 -15.149 -5.342 -5.263
311 HH21 ARG 22 HH21 ARG 22 -11.859 -5.653 -6.314
312 HH22 ARG 22 HH22 ARG 22 -13.287 -6.498 -5.820
313 H GLY 23 H GLY 23 -11.092 2.763 -3.582
314 HA2 GLY 23 HA2 GLY 23 -10.352 3.487 -1.474
315 HA3 GLY 23 HA3 GLY 23 -11.612 2.451 -0.799
316 H PHE 24 H PHE 24 -8.970 2.781 0.327
317 HA PHE 24 HA PHE 24 -7.858 0.041 -0.132
318 HD1 PHE 24 HD1 PHE 24 -6.834 3.101 2.537
319 HD2 PHE 24 HD2 PHE 24 -6.359 3.447 -1.720
320 HE1 PHE 24 HE1 PHE 24 -7.035 5.569 2.716
321 HE2 PHE 24 HE2 PHE 24 -6.559 5.912 -1.541
322 HZ PHE 24 HZ PHE 24 -6.887 6.976 0.673
323 HB2 PHE 24 HB2 PHE 24 -5.796 1.250 1.064
324 HB3 PHE 24 HB3 PHE 24 -6.043 1.355 -0.678
325 H PHE 25 H PHE 25 -6.449 -0.508 2.011
326 HA PHE 25 HA PHE 25 -8.257 -0.003 4.342
327 HD1 PHE 25 HD1 PHE 25 -10.165 -1.491 4.763
328 HD2 PHE 25 HD2 PHE 25 -6.546 -3.245 6.277
329 HE1 PHE 25 HE1 PHE 25 -11.308 -2.001 6.906
330 HE2 PHE 25 HE2 PHE 25 -7.688 -3.754 8.420
331 HZ PHE 25 HZ PHE 25 -10.069 -3.132 8.734
332 HB2 PHE 25 HB2 PHE 25 -8.186 -2.381 3.254
333 HB3 PHE 25 HB3 PHE 25 -6.623 -2.514 4.059
334 H TYR 26 H TYR 26 -6.333 1.799 4.166
335 HA TYR 26 HA TYR 26 -3.731 1.110 5.096
336 HD1 TYR 26 HD1 TYR 26 -2.122 1.788 5.758
337 HD2 TYR 26 HD2 TYR 26 -4.036 5.600 6.287
338 HE1 TYR 26 HE1 TYR 26 -0.125 2.625 6.968
339 HE2 TYR 26 HE2 TYR 26 -2.039 6.436 7.497
340 HH TYR 26 HH TYR 26 0.597 5.692 7.424
341 HB2 TYR 26 HB2 TYR 26 -4.303 3.318 4.147
342 HB3 TYR 26 HB3 TYR 26 -5.302 3.664 5.557
343 H THR 27 H THR 27 -3.153 0.276 7.038
344 HA THR 27 HA THR 27 -5.059 0.538 9.313
345 HB THR 27 HB THR 27 -3.820 -1.367 10.290
346 HG1 THR 27 HG1 THR 27 -1.800 -0.912 9.369
347 HG21 THR 27 HG21 THR 27 -4.586 -1.829 7.393
348 HG22 THR 27 HG22 THR 27 -5.715 -1.788 8.748
349 HG23 THR 27 HG23 THR 27 -4.498 -3.062 8.651
350 H LYS 28 H LYS 28 -4.460 1.693 11.118
351 HA LYS 28 HA LYS 28 -1.889 3.135 10.983
352 HB2 LYS 28 HB2 LYS 28 -4.451 3.700 12.109
353 HB3 LYS 28 HB3 LYS 28 -3.279 3.672 13.422
354 HG2 LYS 28 HG2 LYS 28 -3.405 5.925 12.459
355 HG3 LYS 28 HG3 LYS 28 -1.820 5.215 12.153
356 HD2 LYS 28 HD2 LYS 28 -2.645 6.273 10.108
357 HD3 LYS 28 HD3 LYS 28 -2.600 4.523 9.889
358 HE2 LYS 28 HE2 LYS 28 -4.729 5.600 9.074
359 HE3 LYS 28 HE3 LYS 28 -4.978 4.345 10.287
360 HZ1 LYS 28 HZ1 LYS 28 -4.644 7.135 11.145
361 HZ2 LYS 28 HZ2 LYS 28 -5.487 5.869 11.902
362 HZ3 LYS 28 HZ3 LYS 28 -6.144 6.633 10.534
363 HA PRO 29 HA PRO 29 -1.297 0.971 15.160
364 HB2 PRO 29 HB2 PRO 29 -3.300 -0.620 16.127
365 HB3 PRO 29 HB3 PRO 29 -3.243 1.134 16.372
366 HG2 PRO 29 HG2 PRO 29 -5.004 -0.441 14.562
367 HG3 PRO 29 HG3 PRO 29 -5.286 1.136 15.318
368 HD2 PRO 29 HD2 PRO 29 -4.480 0.675 12.637
369 HD3 PRO 29 HD3 PRO 29 -4.518 2.234 13.484
370 H THR 30 H THR 30 -0.624 -0.188 12.703
371 HA THR 30 HA THR 30 -0.138 -2.230 11.611
372 HB THR 30 HB THR 30 1.561 -2.021 13.420
373 HG1 THR 30 HG1 THR 30 0.949 -4.723 13.425
374 HG21 THR 30 HG21 THR 30 0.033 -2.085 15.341
375 HG22 THR 30 HG22 THR 30 1.250 -3.353 15.480
376 HG23 THR 30 HG23 THR 30 -0.387 -3.756 14.964
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 -0.980 -3.151 9.501
2 H2 GLY 1 H2 GLY 1 -1.994 -4.410 10.025
3 H3 GLY 1 H3 GLY 1 -2.061 -3.879 8.413
4 HA2 GLY 1 HA2 GLY 1 0.511 -4.805 9.187
5 HA3 GLY 1 HA3 GLY 1 -0.721 -6.102 9.251
6 H ILE 2 H ILE 2 -0.403 -3.135 7.217
7 HA ILE 2 HA ILE 2 1.062 -4.680 5.149
8 HB ILE 2 HB ILE 2 -0.712 -3.848 3.978
9 HG12 ILE 2 HG12 ILE 2 0.533 -1.148 3.865
10 HG13 ILE 2 HG13 ILE 2 1.560 -2.513 3.420
11 HG21 ILE 2 HG21 ILE 2 -0.749 -1.514 5.906
12 HG22 ILE 2 HG22 ILE 2 -1.865 -2.877 5.863
13 HG23 ILE 2 HG23 ILE 2 -1.861 -1.699 4.552
14 HD11 ILE 2 HD11 ILE 2 -1.220 -2.287 2.301
15 HD12 ILE 2 HD12 ILE 2 0.171 -3.153 1.648
16 HD13 ILE 2 HD13 ILE 2 0.110 -1.392 1.565
17 HA ABA 3 HA ABA 3 3.427 -0.399 5.268
18 H ABA 3 H ABA 3 1.031 -1.290 6.231
19 HB2 ABA 3 HB2 ABA 3 3.560 0.504 7.895
20 HB3 ABA 3 HB3 ABA 3 2.787 1.333 6.552
21 HG1 ABA 3 HG1 ABA 3 1.353 -0.756 8.202
22 HG2 ABA 3 HG2 ABA 3 0.648 0.438 7.112
23 HG3 ABA 3 HG3 ABA 3 1.353 0.951 8.646
24 H GLU 4 H GLU 4 3.223 -1.896 8.489
25 HA GLU 4 HA GLU 4 5.882 -2.194 9.098
26 HB2 GLU 4 HB2 GLU 4 3.541 -3.336 9.990
27 HB3 GLU 4 HB3 GLU 4 4.466 -4.720 9.426
28 HG2 GLU 4 HG2 GLU 4 6.330 -4.153 10.843
29 HG3 GLU 4 HG3 GLU 4 5.602 -2.600 11.258
30 H GLN 5 H GLN 5 4.143 -3.866 6.549
31 HA GLN 5 HA GLN 5 6.567 -5.493 5.930
32 HB2 GLN 5 HB2 GLN 5 3.919 -6.234 6.021
33 HB3 GLN 5 HB3 GLN 5 4.135 -5.890 4.305
34 HG2 GLN 5 HG2 GLN 5 5.971 -7.443 4.146
35 HG3 GLN 5 HG3 GLN 5 6.006 -7.661 5.897
36 HE21 GLN 5 HE21 GLN 5 3.486 -7.841 3.306
37 HE22 GLN 5 HE22 GLN 5 2.810 -9.293 3.868
38 H CYS 6 H CYS 6 4.114 -3.444 4.324
39 HA CYS 6 HA CYS 6 5.676 -3.140 1.889
40 HB2 CYS 6 HB2 CYS 6 3.210 -1.783 3.022
41 HB3 CYS 6 HB3 CYS 6 3.882 -1.381 1.460
42 H CYS 7 H CYS 7 6.091 -1.976 4.952
43 HA CYS 7 HA CYS 7 7.220 0.627 4.043
44 HB2 CYS 7 HB2 CYS 7 5.352 0.699 5.755
45 HB3 CYS 7 HB3 CYS 7 6.432 -0.127 6.846
46 H THR 8 H THR 8 7.835 -2.377 5.765
47 HA THR 8 HA THR 8 10.581 -1.438 6.432
48 HB THR 8 HB THR 8 10.710 -3.315 7.911
49 HG1 THR 8 HG1 THR 8 9.795 -5.075 7.274
50 HG21 THR 8 HG21 THR 8 9.381 -1.586 8.879
51 HG22 THR 8 HG22 THR 8 8.524 -3.092 9.204
52 HG23 THR 8 HG23 THR 8 7.976 -2.028 7.908
53 H SER 9 H SER 9 8.825 -3.471 4.256
54 HA SER 9 HA SER 9 11.427 -4.496 3.193
55 HG SER 9 HG SER 9 9.566 -7.240 4.510
56 HB2 SER 9 HB2 SER 9 8.775 -5.863 2.735
57 HB3 SER 9 HB3 SER 9 10.397 -6.532 2.578
58 H ILE 10 H ILE 10 9.289 -5.453 0.968
59 HA ILE 10 HA ILE 10 9.164 -2.800 -0.391
60 HB ILE 10 HB ILE 10 10.381 -5.370 -1.340
61 HG12 ILE 10 HG12 ILE 10 11.644 -3.349 -2.609
62 HG13 ILE 10 HG13 ILE 10 11.036 -2.484 -1.197
63 HG21 ILE 10 HG21 ILE 10 8.765 -3.454 -3.004
64 HG22 ILE 10 HG22 ILE 10 8.792 -5.216 -3.059
65 HG23 ILE 10 HG23 ILE 10 10.146 -4.293 -3.710
66 HD11 ILE 10 HD11 ILE 10 12.967 -4.777 -1.322
67 HD12 ILE 10 HD12 ILE 10 11.971 -4.565 0.118
68 HD13 ILE 10 HD13 ILE 10 13.071 -3.283 -0.390
69 H CYS 11 H CYS 11 7.423 -2.652 -1.982
70 HA CYS 11 HA CYS 11 5.487 -4.899 -2.004
71 HB2 CYS 11 HB2 CYS 11 5.040 -2.322 -0.625
72 HB3 CYS 11 HB3 CYS 11 3.700 -2.972 -1.567
73 H SER 12 H SER 12 4.834 -5.199 -4.021
74 HA SER 12 HA SER 12 5.393 -3.222 -6.095
75 HG SER 12 HG SER 12 5.338 -6.527 -5.342
76 HB2 SER 12 HB2 SER 12 3.900 -5.146 -7.322
77 HB3 SER 12 HB3 SER 12 5.642 -5.245 -7.086
78 H LEU 13 H LEU 13 3.827 -2.397 -7.545
79 HA LEU 13 HA LEU 13 1.619 -1.113 -6.359
80 HG LEU 13 HG LEU 13 1.017 -2.761 -9.457
81 HB2 LEU 13 HB2 LEU 13 1.053 -0.383 -8.567
82 HB3 LEU 13 HB3 LEU 13 2.814 -0.515 -8.529
83 HD11 LEU 13 HD11 LEU 13 0.760 -1.765 -11.439
84 HD12 LEU 13 HD12 LEU 13 2.501 -1.516 -11.575
85 HD13 LEU 13 HD13 LEU 13 1.497 -0.310 -10.767
86 HD21 LEU 13 HD21 LEU 13 3.171 -3.584 -8.867
87 HD22 LEU 13 HD22 LEU 13 3.980 -2.192 -9.588
88 HD23 LEU 13 HD23 LEU 13 3.210 -3.398 -10.619
89 H TYR 14 H TYR 14 1.847 -4.382 -7.347
90 HA TYR 14 HA TYR 14 -1.122 -4.519 -7.580
91 HD1 TYR 14 HD1 TYR 14 0.462 -8.263 -6.877
92 HD2 TYR 14 HD2 TYR 14 -2.339 -6.541 -9.647
93 HE1 TYR 14 HE1 TYR 14 -1.037 -10.218 -6.579
94 HE2 TYR 14 HE2 TYR 14 -3.837 -8.496 -9.347
95 HH TYR 14 HH TYR 14 -2.888 -11.242 -7.286
96 HB2 TYR 14 HB2 TYR 14 -0.112 -5.641 -9.437
97 HB3 TYR 14 HB3 TYR 14 1.099 -6.406 -8.408
98 H GLN 15 H GLN 15 1.662 -5.477 -5.811
99 HA GLN 15 HA GLN 15 0.408 -7.305 -3.986
100 HB2 GLN 15 HB2 GLN 15 2.910 -5.767 -4.260
101 HB3 GLN 15 HB3 GLN 15 2.400 -5.985 -2.586
102 HG2 GLN 15 HG2 GLN 15 2.172 -8.411 -4.232
103 HG3 GLN 15 HG3 GLN 15 3.825 -7.825 -4.043
104 HE21 GLN 15 HE21 GLN 15 1.303 -7.336 -1.582
105 HE22 GLN 15 HE22 GLN 15 2.009 -8.346 -0.415
106 H LEU 16 H LEU 16 0.808 -3.841 -4.276
107 HA LEU 16 HA LEU 16 -0.544 -3.273 -1.734
108 HG LEU 16 HG LEU 16 2.222 -2.635 -2.975
109 HB2 LEU 16 HB2 LEU 16 0.352 -1.486 -4.017
110 HB3 LEU 16 HB3 LEU 16 -0.224 -0.926 -2.449
111 HD11 LEU 16 HD11 LEU 16 2.604 -0.267 -3.395
112 HD12 LEU 16 HD12 LEU 16 3.406 -0.736 -1.895
113 HD13 LEU 16 HD13 LEU 16 1.882 0.150 -1.841
114 HD21 LEU 16 HD21 LEU 16 2.230 -1.879 -0.304
115 HD22 LEU 16 HD22 LEU 16 1.826 -3.481 -0.920
116 HD23 LEU 16 HD23 LEU 16 0.546 -2.310 -0.600
117 H GLU 17 H GLU 17 -1.271 -3.811 -5.033
118 HA GLU 17 HA GLU 17 -3.808 -2.447 -5.107
119 HB2 GLU 17 HB2 GLU 17 -2.530 -3.093 -7.143
120 HB3 GLU 17 HB3 GLU 17 -2.799 -4.787 -6.751
121 HG2 GLU 17 HG2 GLU 17 -5.336 -3.538 -6.631
122 HG3 GLU 17 HG3 GLU 17 -4.564 -2.954 -8.107
123 H ASN 18 H ASN 18 -2.627 -5.500 -3.903
124 HA ASN 18 HA ASN 18 -5.256 -6.774 -3.803
125 HB2 ASN 18 HB2 ASN 18 -2.563 -7.587 -3.425
126 HB3 ASN 18 HB3 ASN 18 -3.415 -7.922 -1.917
127 HD21 ASN 18 HD21 ASN 18 -3.549 -8.531 -5.446
128 HD22 ASN 18 HD22 ASN 18 -4.500 -9.932 -5.326
129 H TYR 19 H TYR 19 -4.207 -4.160 -2.190
130 HA TYR 19 HA TYR 19 -5.389 -5.002 0.410
131 HD1 TYR 19 HD1 TYR 19 -2.062 -4.665 -1.026
132 HD2 TYR 19 HD2 TYR 19 -3.605 -4.150 2.953
133 HE1 TYR 19 HE1 TYR 19 -0.327 -6.208 -0.152
134 HE2 TYR 19 HE2 TYR 19 -1.870 -5.694 3.825
135 HH TYR 19 HH TYR 19 0.132 -6.694 3.301
136 HB2 TYR 19 HB2 TYR 19 -3.575 -2.720 -0.372
137 HB3 TYR 19 HB3 TYR 19 -4.398 -2.774 1.188
138 H CYS 20 H CYS 20 -6.684 -3.965 -2.304
139 HA CYS 20 HA CYS 20 -7.978 -1.493 -1.519
140 HB2 CYS 20 HB2 CYS 20 -8.990 -3.505 -3.549
141 HB3 CYS 20 HB3 CYS 20 -9.377 -1.790 -3.461
142 H ASN 21 H ASN 21 -10.628 -1.699 -1.675
143 HA ASN 21 HA ASN 21 -11.554 -2.571 0.778
144 HB2 ASN 21 HB2 ASN 21 -12.749 -1.632 -1.566
145 HB3 ASN 21 HB3 ASN 21 -13.522 -3.192 -1.282
146 HD21 ASN 21 HD21 ASN 21 -12.755 -0.090 0.357
147 HD22 ASN 21 HD22 ASN 21 -14.047 -0.173 1.455
148 HA PHE 1 HA PHE 1 6.703 1.516 -9.475
149 HD1 PHE 1 HD1 PHE 1 5.080 2.439 -9.074
150 HD2 PHE 1 HD2 PHE 1 6.220 0.705 -5.311
151 HE1 PHE 1 HE1 PHE 1 4.508 4.562 -7.923
152 HE2 PHE 1 HE2 PHE 1 5.651 2.827 -4.159
153 HZ PHE 1 HZ PHE 1 4.792 4.755 -5.464
154 H1 PHE 1 H1 PHE 1 6.473 -1.128 -10.638
155 H2 PHE 1 H2 PHE 1 5.963 0.374 -11.242
156 H3 PHE 1 H3 PHE 1 5.016 -0.450 -10.098
157 HB2 PHE 1 HB2 PHE 1 5.135 -0.427 -8.142
158 HB3 PHE 1 HB3 PHE 1 6.708 -0.430 -7.344
159 H VAL 2 H VAL 2 8.522 0.949 -7.576
160 HA VAL 2 HA VAL 2 10.636 -0.510 -9.093
161 HB VAL 2 HB VAL 2 12.183 0.800 -7.540
162 HG11 VAL 2 HG11 VAL 2 10.411 1.934 -9.654
163 HG12 VAL 2 HG12 VAL 2 12.164 1.741 -9.642
164 HG13 VAL 2 HG13 VAL 2 11.416 3.061 -8.742
165 HG21 VAL 2 HG21 VAL 2 9.985 2.738 -7.074
166 HG22 VAL 2 HG22 VAL 2 11.348 2.312 -6.038
167 HG23 VAL 2 HG23 VAL 2 9.928 1.269 -6.099
168 H ASN 3 H ASN 3 12.399 -0.875 -6.876
169 HA ASN 3 HA ASN 3 10.840 -2.869 -5.293
170 HB2 ASN 3 HB2 ASN 3 13.090 -3.988 -4.978
171 HB3 ASN 3 HB3 ASN 3 12.469 -3.999 -6.624
172 HD21 ASN 3 HD21 ASN 3 13.814 -3.120 -8.226
173 HD22 ASN 3 HD22 ASN 3 15.204 -2.198 -7.911
174 H GLN 4 H GLN 4 10.478 -0.664 -4.175
175 HA GLN 4 HA GLN 4 12.578 -0.310 -2.087
176 HB2 GLN 4 HB2 GLN 4 12.056 1.549 -3.909
177 HB3 GLN 4 HB3 GLN 4 10.719 1.912 -2.819
178 HG2 GLN 4 HG2 GLN 4 12.166 2.394 -1.017
179 HG3 GLN 4 HG3 GLN 4 13.534 1.597 -1.794
180 HE21 GLN 4 HE21 GLN 4 11.201 4.138 -2.872
181 HE22 GLN 4 HE22 GLN 4 12.399 5.220 -3.396
182 H HIS 5 H HIS 5 11.493 0.946 -0.149
183 HA HIS 5 HA HIS 5 9.251 -0.712 0.770
184 HD2 HIS 5 HD2 HIS 5 12.925 2.013 2.521
185 HE1 HIS 5 HE1 HIS 5 14.235 -1.871 1.485
186 HE2 HIS 5 HE2 HIS 5 14.989 0.491 2.088
187 HB2 HIS 5 HB2 HIS 5 10.233 1.549 2.437
188 HB3 HIS 5 HB3 HIS 5 9.893 -0.119 2.896
189 H LEU 6 H LEU 6 7.980 1.188 2.456
190 HA LEU 6 HA LEU 6 7.065 3.445 0.863
191 HG LEU 6 HG LEU 6 4.153 3.376 -0.082
192 HB2 LEU 6 HB2 LEU 6 5.809 0.948 0.503
193 HB3 LEU 6 HB3 LEU 6 4.734 1.847 1.552
194 HD11 LEU 6 HD11 LEU 6 5.637 3.916 -2.051
195 HD12 LEU 6 HD12 LEU 6 6.885 2.919 -1.315
196 HD13 LEU 6 HD13 LEU 6 6.317 4.371 -0.493
197 HD21 LEU 6 HD21 LEU 6 4.287 2.183 -2.383
198 HD22 LEU 6 HD22 LEU 6 3.386 1.407 -1.081
199 HD23 LEU 6 HD23 LEU 6 5.013 0.855 -1.478
200 H CYS 7 H CYS 7 5.108 4.505 2.028
201 HA CYS 7 HA CYS 7 4.128 4.017 4.515
202 HB2 CYS 7 HB2 CYS 7 6.993 4.403 4.755
203 HB3 CYS 7 HB3 CYS 7 6.120 5.628 5.665
204 H GLY 8 H GLY 8 3.069 5.838 5.429
205 HA2 GLY 8 HA2 GLY 8 2.193 8.015 5.455
206 HA3 GLY 8 HA3 GLY 8 3.674 8.548 4.660
207 H SER 9 H SER 9 2.570 9.890 3.171
208 HA SER 9 HA SER 9 0.341 9.129 1.600
209 HG SER 9 HG SER 9 3.464 10.375 1.031
210 HB2 SER 9 HB2 SER 9 0.886 10.985 0.179
211 HB3 SER 9 HB3 SER 9 1.340 11.454 1.814
212 H ASP 10 H ASP 10 3.717 8.322 1.311
213 HA ASP 10 HA ASP 10 3.787 7.515 -1.421
214 HB2 ASP 10 HB2 ASP 10 5.233 6.166 0.880
215 HB3 ASP 10 HB3 ASP 10 5.717 6.182 -0.816
216 H LEU 11 H LEU 11 2.794 5.794 1.512
217 HA LEU 11 HA LEU 11 2.264 3.306 0.162
218 HG LEU 11 HG LEU 11 0.065 2.154 2.117
219 HB2 LEU 11 HB2 LEU 11 2.621 3.660 2.668
220 HB3 LEU 11 HB3 LEU 11 0.962 4.251 2.719
221 HD11 LEU 11 HD11 LEU 11 2.865 1.476 1.179
222 HD12 LEU 11 HD12 LEU 11 1.404 1.599 0.199
223 HD13 LEU 11 HD13 LEU 11 1.587 0.269 1.342
224 HD21 LEU 11 HD21 LEU 11 0.590 1.154 4.066
225 HD22 LEU 11 HD22 LEU 11 1.874 2.347 4.259
226 HD23 LEU 11 HD23 LEU 11 2.221 0.794 3.498
227 H VAL 12 H VAL 12 0.229 6.110 1.000
228 HA VAL 12 HA VAL 12 -2.149 4.801 -0.060
229 HB VAL 12 HB VAL 12 -3.320 6.623 0.682
230 HG11 VAL 12 HG11 VAL 12 -1.488 5.895 2.400
231 HG12 VAL 12 HG12 VAL 12 -2.436 7.348 2.710
232 HG13 VAL 12 HG13 VAL 12 -0.800 7.484 2.066
233 HG21 VAL 12 HG21 VAL 12 -2.602 8.221 -0.969
234 HG22 VAL 12 HG22 VAL 12 -0.992 8.323 -0.256
235 HG23 VAL 12 HG23 VAL 12 -2.383 8.979 0.607
236 H GLU 13 H GLU 13 0.304 7.037 -1.284
237 HA GLU 13 HA GLU 13 -0.903 7.803 -3.705
238 HB2 GLU 13 HB2 GLU 13 1.166 8.599 -4.246
239 HB3 GLU 13 HB3 GLU 13 1.588 8.138 -2.600
240 HG2 GLU 13 HG2 GLU 13 2.306 5.894 -3.472
241 HG3 GLU 13 HG3 GLU 13 2.001 6.479 -5.108
242 H ALA 14 H ALA 14 0.553 4.745 -2.748
243 HA ALA 14 HA ALA 14 0.234 3.601 -5.441
244 HB1 ALA 14 HB1 ALA 14 2.143 2.829 -4.145
245 HB2 ALA 14 HB2 ALA 14 1.004 1.490 -4.290
246 HB3 ALA 14 HB3 ALA 14 1.099 2.408 -2.787
247 H LEU 15 H LEU 15 -1.052 2.948 -2.151
248 HA LEU 15 HA LEU 15 -3.028 1.119 -2.836
249 HG LEU 15 HG LEU 15 -1.414 1.908 -0.102
250 HB2 LEU 15 HB2 LEU 15 -3.086 3.362 -0.810
251 HB3 LEU 15 HB3 LEU 15 -4.317 2.101 -0.876
252 HD11 LEU 15 HD11 LEU 15 -2.303 1.355 1.870
253 HD12 LEU 15 HD12 LEU 15 -3.269 0.077 1.132
254 HD13 LEU 15 HD13 LEU 15 -3.887 1.728 1.189
255 HD21 LEU 15 HD21 LEU 15 -1.536 -0.586 -0.353
256 HD22 LEU 15 HD22 LEU 15 -1.547 0.257 -1.901
257 HD23 LEU 15 HD23 LEU 15 -3.047 -0.391 -1.240
258 H TYR 16 H TYR 16 -3.135 4.670 -3.022
259 HA TYR 16 HA TYR 16 -5.846 4.896 -3.892
260 HD1 TYR 16 HD1 TYR 16 -7.024 6.168 -5.064
261 HD2 TYR 16 HD2 TYR 16 -4.632 8.645 -2.495
262 HE1 TYR 16 HE1 TYR 16 -9.039 7.478 -4.455
263 HE2 TYR 16 HE2 TYR 16 -6.648 9.957 -1.884
264 HH TYR 16 HH TYR 16 -9.505 9.841 -3.606
265 HB2 TYR 16 HB2 TYR 16 -3.704 6.669 -3.462
266 HB3 TYR 16 HB3 TYR 16 -4.120 6.856 -5.159
267 H LEU 17 H LEU 17 -2.835 4.825 -5.832
268 HA LEU 17 HA LEU 17 -4.224 4.728 -8.343
269 HG LEU 17 HG LEU 17 -1.176 4.490 -10.196
270 HB2 LEU 17 HB2 LEU 17 -1.653 5.192 -7.666
271 HB3 LEU 17 HB3 LEU 17 -1.524 3.501 -8.141
272 HD11 LEU 17 HD11 LEU 17 -3.379 3.160 -10.193
273 HD12 LEU 17 HD12 LEU 17 -3.110 4.256 -11.548
274 HD13 LEU 17 HD13 LEU 17 -4.186 4.728 -10.234
275 HD21 LEU 17 HD21 LEU 17 -1.892 6.663 -10.835
276 HD22 LEU 17 HD22 LEU 17 -1.517 6.799 -9.117
277 HD23 LEU 17 HD23 LEU 17 -3.194 6.671 -9.647
278 H VAL 18 H VAL 18 -2.670 2.206 -6.404
279 HA VAL 18 HA VAL 18 -3.292 0.035 -8.136
280 HB VAL 18 HB VAL 18 -2.676 -1.392 -6.356
281 HG11 VAL 18 HG11 VAL 18 -1.241 1.021 -6.798
282 HG12 VAL 18 HG12 VAL 18 -0.608 -0.529 -6.247
283 HG13 VAL 18 HG13 VAL 18 -1.154 0.667 -5.073
284 HG21 VAL 18 HG21 VAL 18 -2.709 -0.551 -3.965
285 HG22 VAL 18 HG22 VAL 18 -4.301 -0.753 -4.696
286 HG23 VAL 18 HG23 VAL 18 -3.599 0.854 -4.551
287 H CYS 19 H CYS 19 -5.196 1.696 -5.698
288 HA CYS 19 HA CYS 19 -7.422 -0.222 -6.187
289 HB2 CYS 19 HB2 CYS 19 -7.026 1.827 -3.986
290 HB3 CYS 19 HB3 CYS 19 -8.421 0.759 -4.135
291 H GLY 20 H GLY 20 -7.423 3.208 -5.235
292 HA2 GLY 20 HA2 GLY 20 -8.226 5.067 -6.505
293 HA3 GLY 20 HA3 GLY 20 -8.743 3.950 -7.769
294 H GLU 21 H GLU 21 -10.894 3.462 -7.850
295 HA GLU 21 HA GLU 21 -12.702 4.684 -5.931
296 HB2 GLU 21 HB2 GLU 21 -12.913 3.851 -8.563
297 HB3 GLU 21 HB3 GLU 21 -13.875 2.657 -7.692
298 HG2 GLU 21 HG2 GLU 21 -15.076 4.537 -6.546
299 HG3 GLU 21 HG3 GLU 21 -14.191 5.671 -7.568
300 H ARG 22 H ARG 22 -11.039 1.683 -5.989
301 HA ARG 22 HA ARG 22 -13.110 0.263 -4.458
302 HE ARG 22 HE ARG 22 -11.865 -3.104 -3.604
303 HB2 ARG 22 HB2 ARG 22 -10.445 -0.407 -5.636
304 HB3 ARG 22 HB3 ARG 22 -11.034 -1.384 -4.296
305 HG2 ARG 22 HG2 ARG 22 -12.912 -0.778 -6.542
306 HG3 ARG 22 HG3 ARG 22 -11.669 -2.002 -6.795
307 HD2 ARG 22 HD2 ARG 22 -13.753 -1.970 -4.593
308 HD3 ARG 22 HD3 ARG 22 -13.678 -3.089 -5.953
309 HH11 ARG 22 HH11 ARG 22 -11.369 -3.830 -6.772
310 HH12 ARG 22 HH12 ARG 22 -11.160 -5.536 -6.568
311 HH21 ARG 22 HH21 ARG 22 -12.232 -5.544 -3.272
312 HH22 ARG 22 HH22 ARG 22 -11.638 -6.504 -4.585
313 H GLY 23 H GLY 23 -11.182 2.708 -3.642
314 HA2 GLY 23 HA2 GLY 23 -10.145 3.422 -1.659
315 HA3 GLY 23 HA3 GLY 23 -11.359 2.418 -0.865
316 H PHE 24 H PHE 24 -9.082 2.462 0.476
317 HA PHE 24 HA PHE 24 -7.858 -0.181 -0.148
318 HD1 PHE 24 HD1 PHE 24 -6.347 2.987 2.334
319 HD2 PHE 24 HD2 PHE 24 -6.684 3.102 -1.949
320 HE1 PHE 24 HE1 PHE 24 -6.486 5.462 2.414
321 HE2 PHE 24 HE2 PHE 24 -6.822 5.577 -1.869
322 HZ PHE 24 HZ PHE 24 -6.709 6.760 0.304
323 HB2 PHE 24 HB2 PHE 24 -5.712 1.035 0.891
324 HB3 PHE 24 HB3 PHE 24 -6.054 1.071 -0.837
325 H PHE 25 H PHE 25 -6.224 -0.510 1.972
326 HA PHE 25 HA PHE 25 -7.961 0.011 4.348
327 HD1 PHE 25 HD1 PHE 25 -9.982 -2.028 4.354
328 HD2 PHE 25 HD2 PHE 25 -6.385 -2.544 6.648
329 HE1 PHE 25 HE1 PHE 25 -11.340 -2.432 6.392
330 HE2 PHE 25 HE2 PHE 25 -7.742 -2.950 8.685
331 HZ PHE 25 HZ PHE 25 -10.219 -2.894 8.557
332 HB2 PHE 25 HB2 PHE 25 -7.770 -2.431 3.273
333 HB3 PHE 25 HB3 PHE 25 -6.300 -2.466 4.248
334 H TYR 26 H TYR 26 -6.046 1.832 3.998
335 HA TYR 26 HA TYR 26 -3.416 1.176 4.904
336 HD1 TYR 26 HD1 TYR 26 -1.662 2.025 5.262
337 HD2 TYR 26 HD2 TYR 26 -3.852 5.602 6.202
338 HE1 TYR 26 HE1 TYR 26 0.312 2.922 6.469
339 HE2 TYR 26 HE2 TYR 26 -1.879 6.497 7.408
340 HH TYR 26 HH TYR 26 0.522 6.197 7.481
341 HB2 TYR 26 HB2 TYR 26 -3.947 3.346 3.856
342 HB3 TYR 26 HB3 TYR 26 -4.968 3.765 5.224
343 H THR 27 H THR 27 -2.535 1.206 7.034
344 HA THR 27 HA THR 27 -4.578 1.309 9.216
345 HB THR 27 HB THR 27 -3.593 -0.578 10.280
346 HG1 THR 27 HG1 THR 27 -1.502 -0.138 8.434
347 HG21 THR 27 HG21 THR 27 -3.344 -1.343 7.378
348 HG22 THR 27 HG22 THR 27 -4.913 -0.937 8.074
349 HG23 THR 27 HG23 THR 27 -3.986 -2.293 8.718
350 H LYS 28 H LYS 28 -3.545 1.704 11.384
351 HA LYS 28 HA LYS 28 -0.917 3.001 11.368
352 HB2 LYS 28 HB2 LYS 28 -3.248 4.586 11.029
353 HB3 LYS 28 HB3 LYS 28 -2.704 4.817 12.683
354 HG2 LYS 28 HG2 LYS 28 -0.512 5.463 11.988
355 HG3 LYS 28 HG3 LYS 28 -0.831 4.987 10.323
356 HD2 LYS 28 HD2 LYS 28 -1.916 7.363 11.838
357 HD3 LYS 28 HD3 LYS 28 -1.062 7.346 10.296
358 HE2 LYS 28 HE2 LYS 28 -3.192 7.572 9.475
359 HE3 LYS 28 HE3 LYS 28 -3.178 5.815 9.628
360 HZ1 LYS 28 HZ1 LYS 28 -3.880 6.613 12.103
361 HZ2 LYS 28 HZ2 LYS 28 -4.974 6.138 10.893
362 HZ3 LYS 28 HZ3 LYS 28 -4.641 7.785 11.142
363 HA PRO 29 HA PRO 29 -2.409 2.654 15.807
364 HB2 PRO 29 HB2 PRO 29 -5.071 2.446 16.365
365 HB3 PRO 29 HB3 PRO 29 -4.264 3.991 16.023
366 HG2 PRO 29 HG2 PRO 29 -6.136 2.458 14.301
367 HG3 PRO 29 HG3 PRO 29 -5.781 4.193 14.318
368 HD2 PRO 29 HD2 PRO 29 -4.742 2.238 12.521
369 HD3 PRO 29 HD3 PRO 29 -4.290 3.945 12.634
370 H THR 30 H THR 30 -1.714 0.615 16.410
371 HA THR 30 HA THR 30 -1.828 -1.679 16.915
372 HB THR 30 HB THR 30 -4.700 -1.651 15.985
373 HG1 THR 30 HG1 THR 30 -5.278 -0.740 17.857
374 HG21 THR 30 HG21 THR 30 -4.893 -3.325 17.829
375 HG22 THR 30 HG22 THR 30 -3.155 -3.185 18.092
376 HG23 THR 30 HG23 THR 30 -3.767 -3.822 16.566
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 -1.733 -3.036 11.046
2 H2 GLY 1 H2 GLY 1 -0.914 -4.479 10.690
3 H3 GLY 1 H3 GLY 1 -1.790 -3.677 9.475
4 HA2 GLY 1 HA2 GLY 1 -0.181 -1.918 9.494
5 HA3 GLY 1 HA3 GLY 1 0.651 -2.576 10.935
6 H ILE 2 H ILE 2 -0.838 -2.638 7.582
7 HA ILE 2 HA ILE 2 0.991 -4.264 6.208
8 HB ILE 2 HB ILE 2 -0.991 -3.559 5.067
9 HG12 ILE 2 HG12 ILE 2 1.464 -2.233 3.878
10 HG13 ILE 2 HG13 ILE 2 0.892 -3.872 3.565
11 HG21 ILE 2 HG21 ILE 2 -1.793 -1.428 5.046
12 HG22 ILE 2 HG22 ILE 2 -0.199 -0.726 4.765
13 HG23 ILE 2 HG23 ILE 2 -0.682 -1.197 6.395
14 HD11 ILE 2 HD11 ILE 2 -0.156 -2.929 1.780
15 HD12 ILE 2 HD12 ILE 2 -0.059 -1.305 2.461
16 HD13 ILE 2 HD13 ILE 2 -1.342 -2.402 2.973
17 HA ABA 3 HA ABA 3 3.502 -0.205 5.217
18 H ABA 3 H ABA 3 1.114 -0.719 6.490
19 HB2 ABA 3 HB2 ABA 3 3.762 1.654 6.933
20 HB3 ABA 3 HB3 ABA 3 2.247 1.637 6.043
21 HG1 ABA 3 HG1 ABA 3 2.773 1.052 8.912
22 HG2 ABA 3 HG2 ABA 3 1.557 0.055 8.116
23 HG3 ABA 3 HG3 ABA 3 1.370 1.808 8.157
24 H GLU 4 H GLU 4 3.140 -1.099 8.644
25 HA GLU 4 HA GLU 4 5.815 -1.088 9.401
26 HB2 GLU 4 HB2 GLU 4 4.527 -1.697 11.181
27 HB3 GLU 4 HB3 GLU 4 3.389 -2.577 10.170
28 HG2 GLU 4 HG2 GLU 4 4.683 -4.526 10.174
29 HG3 GLU 4 HG3 GLU 4 6.147 -3.662 10.642
30 H GLN 5 H GLN 5 4.158 -3.221 7.204
31 HA GLN 5 HA GLN 5 6.604 -4.912 6.952
32 HB2 GLN 5 HB2 GLN 5 4.159 -5.839 7.317
33 HB3 GLN 5 HB3 GLN 5 4.003 -5.536 5.587
34 HG2 GLN 5 HG2 GLN 5 6.525 -6.852 6.213
35 HG3 GLN 5 HG3 GLN 5 5.145 -7.798 6.772
36 HE21 GLN 5 HE21 GLN 5 6.630 -6.353 3.877
37 HE22 GLN 5 HE22 GLN 5 5.736 -7.263 2.758
38 H CYS 6 H CYS 6 4.425 -2.750 5.217
39 HA CYS 6 HA CYS 6 5.990 -3.118 2.729
40 HB2 CYS 6 HB2 CYS 6 3.307 -1.908 3.406
41 HB3 CYS 6 HB3 CYS 6 4.063 -1.651 1.848
42 H CYS 7 H CYS 7 6.439 -1.470 5.392
43 HA CYS 7 HA CYS 7 7.340 1.036 4.036
44 HB2 CYS 7 HB2 CYS 7 5.514 1.502 5.647
45 HB3 CYS 7 HB3 CYS 7 6.426 0.700 6.908
46 H THR 8 H THR 8 8.033 -1.590 6.293
47 HA THR 8 HA THR 8 10.770 -0.528 6.749
48 HB THR 8 HB THR 8 10.993 -2.410 8.325
49 HG1 THR 8 HG1 THR 8 8.773 -3.494 8.598
50 HG21 THR 8 HG21 THR 8 9.961 -1.125 9.852
51 HG22 THR 8 HG22 THR 8 8.383 -1.652 9.266
52 HG23 THR 8 HG23 THR 8 9.170 -0.252 8.539
53 H SER 9 H SER 9 9.069 -2.530 4.617
54 HA SER 9 HA SER 9 11.634 -3.712 3.657
55 HG SER 9 HG SER 9 9.736 -4.940 5.732
56 HB2 SER 9 HB2 SER 9 8.954 -5.133 3.624
57 HB3 SER 9 HB3 SER 9 10.510 -5.798 3.133
58 H ILE 10 H ILE 10 9.207 -4.855 1.702
59 HA ILE 10 HA ILE 10 9.076 -2.372 0.069
60 HB ILE 10 HB ILE 10 10.428 -4.932 -0.626
61 HG12 ILE 10 HG12 ILE 10 11.686 -3.271 -2.095
62 HG13 ILE 10 HG13 ILE 10 10.716 -2.012 -1.330
63 HG21 ILE 10 HG21 ILE 10 8.545 -5.025 -2.176
64 HG22 ILE 10 HG22 ILE 10 10.002 -4.562 -3.056
65 HG23 ILE 10 HG23 ILE 10 8.803 -3.340 -2.630
66 HD11 ILE 10 HD11 ILE 10 12.033 -2.044 0.495
67 HD12 ILE 10 HD12 ILE 10 13.089 -3.186 -0.336
68 HD13 ILE 10 HD13 ILE 10 11.781 -3.779 0.686
69 H CYS 11 H CYS 11 7.219 -2.223 -1.216
70 HA CYS 11 HA CYS 11 5.301 -4.510 -1.103
71 HB2 CYS 11 HB2 CYS 11 4.965 -2.223 0.385
72 HB3 CYS 11 HB3 CYS 11 3.999 -1.901 -1.056
73 H SER 12 H SER 12 4.795 -5.093 -3.127
74 HA SER 12 HA SER 12 5.517 -3.403 -5.389
75 HG SER 12 HG SER 12 5.141 -7.141 -4.896
76 HB2 SER 12 HB2 SER 12 4.056 -5.446 -6.467
77 HB3 SER 12 HB3 SER 12 5.779 -5.535 -6.116
78 H LEU 13 H LEU 13 4.069 -2.726 -7.032
79 HA LEU 13 HA LEU 13 1.763 -1.348 -6.109
80 HG LEU 13 HG LEU 13 2.333 -3.444 -8.844
81 HB2 LEU 13 HB2 LEU 13 1.321 -0.950 -8.514
82 HB3 LEU 13 HB3 LEU 13 3.017 -0.668 -8.107
83 HD11 LEU 13 HD11 LEU 13 2.496 -1.304 -10.977
84 HD12 LEU 13 HD12 LEU 13 0.977 -2.014 -10.425
85 HD13 LEU 13 HD13 LEU 13 2.191 -3.026 -11.209
86 HD21 LEU 13 HD21 LEU 13 4.608 -1.734 -8.672
87 HD22 LEU 13 HD22 LEU 13 4.461 -2.260 -10.349
88 HD23 LEU 13 HD23 LEU 13 4.571 -3.454 -9.056
89 H TYR 14 H TYR 14 2.140 -4.665 -6.757
90 HA TYR 14 HA TYR 14 -0.753 -4.939 -7.410
91 HD1 TYR 14 HD1 TYR 14 -2.006 -6.830 -8.631
92 HD2 TYR 14 HD2 TYR 14 1.185 -8.910 -6.642
93 HE1 TYR 14 HE1 TYR 14 -3.500 -8.780 -8.274
94 HE2 TYR 14 HE2 TYR 14 -0.308 -10.859 -6.284
95 HH TYR 14 HH TYR 14 -2.296 -11.827 -7.126
96 HB2 TYR 14 HB2 TYR 14 0.563 -6.262 -8.914
97 HB3 TYR 14 HB3 TYR 14 1.607 -6.827 -7.609
98 H GLN 15 H GLN 15 1.764 -5.659 -5.175
99 HA GLN 15 HA GLN 15 0.234 -7.220 -3.305
100 HB2 GLN 15 HB2 GLN 15 2.823 -5.812 -3.482
101 HB3 GLN 15 HB3 GLN 15 2.140 -5.864 -1.858
102 HG2 GLN 15 HG2 GLN 15 2.359 -8.316 -3.601
103 HG3 GLN 15 HG3 GLN 15 3.649 -7.821 -2.504
104 HE21 GLN 15 HE21 GLN 15 2.149 -6.910 -0.289
105 HE22 GLN 15 HE22 GLN 15 1.279 -8.209 0.372
106 H LEU 16 H LEU 16 0.769 -3.862 -4.022
107 HA LEU 16 HA LEU 16 -0.671 -2.854 -1.675
108 HG LEU 16 HG LEU 16 2.147 -2.473 -2.728
109 HB2 LEU 16 HB2 LEU 16 0.427 -1.511 -4.169
110 HB3 LEU 16 HB3 LEU 16 -0.272 -0.661 -2.797
111 HD11 LEU 16 HD11 LEU 16 1.884 0.477 -2.126
112 HD12 LEU 16 HD12 LEU 16 2.523 -0.181 -3.632
113 HD13 LEU 16 HD13 LEU 16 3.369 -0.472 -2.113
114 HD21 LEU 16 HD21 LEU 16 0.499 -1.173 -0.578
115 HD22 LEU 16 HD22 LEU 16 2.195 -1.571 -0.312
116 HD23 LEU 16 HD23 LEU 16 1.038 -2.847 -0.693
117 H GLU 17 H GLU 17 -1.265 -3.825 -4.918
118 HA GLU 17 HA GLU 17 -3.783 -2.429 -5.234
119 HB2 GLU 17 HB2 GLU 17 -2.392 -3.261 -7.142
120 HB3 GLU 17 HB3 GLU 17 -2.727 -4.909 -6.630
121 HG2 GLU 17 HG2 GLU 17 -4.822 -4.881 -7.502
122 HG3 GLU 17 HG3 GLU 17 -5.142 -3.252 -6.904
123 H ASN 18 H ASN 18 -2.642 -5.324 -3.708
124 HA ASN 18 HA ASN 18 -5.231 -6.674 -3.642
125 HB2 ASN 18 HB2 ASN 18 -2.719 -7.580 -3.387
126 HB3 ASN 18 HB3 ASN 18 -3.113 -7.381 -1.679
127 HD21 ASN 18 HD21 ASN 18 -4.190 -9.129 -0.754
128 HD22 ASN 18 HD22 ASN 18 -5.082 -10.290 -1.613
129 H TYR 19 H TYR 19 -4.237 -3.945 -2.101
130 HA TYR 19 HA TYR 19 -5.632 -4.665 0.434
131 HD1 TYR 19 HD1 TYR 19 -4.475 -3.975 2.983
132 HD2 TYR 19 HD2 TYR 19 -1.899 -4.108 -0.454
133 HE1 TYR 19 HE1 TYR 19 -2.922 -5.473 4.207
134 HE2 TYR 19 HE2 TYR 19 -0.345 -5.606 0.770
135 HH TYR 19 HH TYR 19 0.014 -5.927 3.647
136 HB2 TYR 19 HB2 TYR 19 -3.693 -2.482 -0.302
137 HB3 TYR 19 HB3 TYR 19 -4.699 -2.356 1.140
138 H CYS 20 H CYS 20 -6.700 -3.814 -2.390
139 HA CYS 20 HA CYS 20 -8.073 -1.303 -1.805
140 HB2 CYS 20 HB2 CYS 20 -8.732 -3.303 -3.984
141 HB3 CYS 20 HB3 CYS 20 -9.131 -1.587 -3.945
142 H ASN 21 H ASN 21 -10.635 -1.440 -2.225
143 HA ASN 21 HA ASN 21 -11.906 -2.417 0.005
144 HB2 ASN 21 HB2 ASN 21 -12.959 -1.088 -1.887
145 HB3 ASN 21 HB3 ASN 21 -13.174 -2.618 -2.737
146 HD21 ASN 21 HD21 ASN 21 -14.352 -4.375 -1.333
147 HD22 ASN 21 HD22 ASN 21 -15.634 -3.825 -0.366
148 HA PHE 1 HA PHE 1 5.283 0.173 -9.992
149 HD1 PHE 1 HD1 PHE 1 4.637 0.468 -11.712
150 HD2 PHE 1 HD2 PHE 1 7.278 3.858 -11.624
151 HE1 PHE 1 HE1 PHE 1 4.923 0.310 -14.170
152 HE2 PHE 1 HE2 PHE 1 7.562 3.700 -14.083
153 HZ PHE 1 HZ PHE 1 6.385 1.926 -15.357
154 H1 PHE 1 H1 PHE 1 5.301 -0.078 -7.631
155 H2 PHE 1 H2 PHE 1 4.369 1.290 -8.013
156 H3 PHE 1 H3 PHE 1 5.948 1.474 -7.411
157 HB2 PHE 1 HB2 PHE 1 4.801 2.692 -9.782
158 HB3 PHE 1 HB3 PHE 1 6.544 2.890 -9.597
159 H VAL 2 H VAL 2 7.277 0.069 -7.424
160 HA VAL 2 HA VAL 2 9.503 -0.939 -9.051
161 HB VAL 2 HB VAL 2 10.922 0.633 -7.263
162 HG11 VAL 2 HG11 VAL 2 11.959 1.057 -9.211
163 HG12 VAL 2 HG12 VAL 2 10.587 2.014 -9.769
164 HG13 VAL 2 HG13 VAL 2 10.623 0.274 -10.055
165 HG21 VAL 2 HG21 VAL 2 8.967 2.518 -8.551
166 HG22 VAL 2 HG22 VAL 2 10.025 2.788 -7.166
167 HG23 VAL 2 HG23 VAL 2 8.574 1.801 -6.988
168 H ASN 3 H ASN 3 11.412 -1.124 -7.012
169 HA ASN 3 HA ASN 3 9.986 -2.900 -5.079
170 HB2 ASN 3 HB2 ASN 3 12.532 -3.109 -6.569
171 HB3 ASN 3 HB3 ASN 3 12.606 -3.628 -4.885
172 HD21 ASN 3 HD21 ASN 3 12.567 -5.905 -5.131
173 HD22 ASN 3 HD22 ASN 3 11.316 -6.746 -5.910
174 H GLN 4 H GLN 4 9.830 -0.378 -4.318
175 HA GLN 4 HA GLN 4 12.091 0.077 -2.422
176 HB2 GLN 4 HB2 GLN 4 11.634 1.799 -4.239
177 HB3 GLN 4 HB3 GLN 4 10.100 2.122 -3.432
178 HG2 GLN 4 HG2 GLN 4 11.240 2.777 -1.400
179 HG3 GLN 4 HG3 GLN 4 12.798 2.296 -2.071
180 HE21 GLN 4 HE21 GLN 4 11.250 3.596 -4.691
181 HE22 GLN 4 HE22 GLN 4 11.734 5.213 -4.538
182 H HIS 5 H HIS 5 11.337 1.273 -0.384
183 HA HIS 5 HA HIS 5 9.110 -0.222 0.789
184 HD2 HIS 5 HD2 HIS 5 12.260 -1.247 2.552
185 HE1 HIS 5 HE1 HIS 5 14.735 1.684 0.774
186 HE2 HIS 5 HE2 HIS 5 14.675 -0.661 1.778
187 HB2 HIS 5 HB2 HIS 5 10.219 2.037 2.338
188 HB3 HIS 5 HB3 HIS 5 9.998 0.355 2.807
189 H LEU 6 H LEU 6 7.456 1.096 2.132
190 HA LEU 6 HA LEU 6 6.691 3.573 0.667
191 HG LEU 6 HG LEU 6 3.825 3.518 -0.174
192 HB2 LEU 6 HB2 LEU 6 5.343 1.063 0.657
193 HB3 LEU 6 HB3 LEU 6 4.366 2.142 1.631
194 HD11 LEU 6 HD11 LEU 6 5.879 4.337 -0.959
195 HD12 LEU 6 HD12 LEU 6 5.335 3.369 -2.329
196 HD13 LEU 6 HD13 LEU 6 6.541 2.722 -1.216
197 HD21 LEU 6 HD21 LEU 6 3.406 0.928 -0.576
198 HD22 LEU 6 HD22 LEU 6 4.518 1.194 -1.919
199 HD23 LEU 6 HD23 LEU 6 3.021 2.122 -1.816
200 H CYS 7 H CYS 7 4.919 4.777 1.917
201 HA CYS 7 HA CYS 7 4.223 4.496 4.556
202 HB2 CYS 7 HB2 CYS 7 7.071 4.821 4.370
203 HB3 CYS 7 HB3 CYS 7 6.387 6.225 5.174
204 H GLY 8 H GLY 8 2.989 6.260 5.160
205 HA2 GLY 8 HA2 GLY 8 2.046 8.407 5.071
206 HA3 GLY 8 HA3 GLY 8 3.555 8.967 4.354
207 H SER 9 H SER 9 2.437 10.264 2.817
208 HA SER 9 HA SER 9 0.328 9.539 1.144
209 HG SER 9 HG SER 9 0.680 12.543 -0.257
210 HB2 SER 9 HB2 SER 9 2.204 11.637 1.245
211 HB3 SER 9 HB3 SER 9 2.319 10.978 -0.384
212 H ASP 10 H ASP 10 3.616 8.425 1.064
213 HA ASP 10 HA ASP 10 3.675 7.465 -1.637
214 HB2 ASP 10 HB2 ASP 10 5.076 6.156 0.700
215 HB3 ASP 10 HB3 ASP 10 5.594 6.206 -0.985
216 H LEU 11 H LEU 11 2.531 6.040 1.397
217 HA LEU 11 HA LEU 11 1.932 3.472 0.206
218 HG LEU 11 HG LEU 11 -0.177 2.394 2.277
219 HB2 LEU 11 HB2 LEU 11 2.300 4.054 2.708
220 HB3 LEU 11 HB3 LEU 11 0.616 4.568 2.688
221 HD11 LEU 11 HD11 LEU 11 1.620 0.547 1.722
222 HD12 LEU 11 HD12 LEU 11 2.573 1.921 1.160
223 HD13 LEU 11 HD13 LEU 11 1.003 1.580 0.433
224 HD21 LEU 11 HD21 LEU 11 2.363 1.987 3.887
225 HD22 LEU 11 HD22 LEU 11 0.922 0.971 3.942
226 HD23 LEU 11 HD23 LEU 11 0.853 2.631 4.531
227 H VAL 12 H VAL 12 0.196 6.510 0.553
228 HA VAL 12 HA VAL 12 -2.311 5.225 -0.342
229 HB VAL 12 HB VAL 12 -3.407 7.127 0.329
230 HG11 VAL 12 HG11 VAL 12 -1.853 6.387 2.176
231 HG12 VAL 12 HG12 VAL 12 -2.393 8.063 2.286
232 HG13 VAL 12 HG13 VAL 12 -0.772 7.696 1.694
233 HG21 VAL 12 HG21 VAL 12 -0.976 8.768 -0.456
234 HG22 VAL 12 HG22 VAL 12 -2.510 9.419 0.116
235 HG23 VAL 12 HG23 VAL 12 -2.434 8.569 -1.427
236 H GLU 13 H GLU 13 0.017 7.647 -1.542
237 HA GLU 13 HA GLU 13 -1.100 8.226 -4.024
238 HB2 GLU 13 HB2 GLU 13 1.086 8.817 -4.757
239 HB3 GLU 13 HB3 GLU 13 1.106 9.074 -3.013
240 HG2 GLU 13 HG2 GLU 13 2.182 6.911 -2.667
241 HG3 GLU 13 HG3 GLU 13 2.085 6.558 -4.393
242 H ALA 14 H ALA 14 0.502 5.267 -2.980
243 HA ALA 14 HA ALA 14 0.411 4.126 -5.694
244 HB1 ALA 14 HB1 ALA 14 0.883 2.295 -3.435
245 HB2 ALA 14 HB2 ALA 14 2.017 3.644 -3.500
246 HB3 ALA 14 HB3 ALA 14 1.853 2.563 -4.883
247 H LEU 15 H LEU 15 -0.965 3.304 -2.491
248 HA LEU 15 HA LEU 15 -2.817 1.393 -3.325
249 HG LEU 15 HG LEU 15 -1.281 1.793 -0.696
250 HB2 LEU 15 HB2 LEU 15 -2.890 3.472 -1.148
251 HB3 LEU 15 HB3 LEU 15 -4.204 2.310 -1.332
252 HD11 LEU 15 HD11 LEU 15 -2.320 0.461 1.143
253 HD12 LEU 15 HD12 LEU 15 -3.899 1.029 0.597
254 HD13 LEU 15 HD13 LEU 15 -2.708 2.181 1.203
255 HD21 LEU 15 HD21 LEU 15 -1.835 0.177 -2.449
256 HD22 LEU 15 HD22 LEU 15 -3.327 -0.258 -1.621
257 HD23 LEU 15 HD23 LEU 15 -1.768 -0.651 -0.896
258 H TYR 16 H TYR 16 -3.139 4.934 -3.310
259 HA TYR 16 HA TYR 16 -5.862 4.965 -4.233
260 HD1 TYR 16 HD1 TYR 16 -7.127 7.094 -5.398
261 HD2 TYR 16 HD2 TYR 16 -4.946 7.645 -1.736
262 HE1 TYR 16 HE1 TYR 16 -9.166 8.009 -4.322
263 HE2 TYR 16 HE2 TYR 16 -6.987 8.560 -0.660
264 HH TYR 16 HH TYR 16 -9.994 8.148 -1.775
265 HB2 TYR 16 HB2 TYR 16 -3.815 6.891 -3.648
266 HB3 TYR 16 HB3 TYR 16 -4.499 7.256 -5.232
267 H LEU 17 H LEU 17 -2.752 4.714 -5.891
268 HA LEU 17 HA LEU 17 -4.009 5.083 -8.502
269 HG LEU 17 HG LEU 17 -0.423 4.409 -9.879
270 HB2 LEU 17 HB2 LEU 17 -1.829 5.853 -8.625
271 HB3 LEU 17 HB3 LEU 17 -1.233 4.659 -7.484
272 HD11 LEU 17 HD11 LEU 17 -0.882 2.549 -7.969
273 HD12 LEU 17 HD12 LEU 17 -0.131 2.190 -9.523
274 HD13 LEU 17 HD13 LEU 17 -1.852 1.889 -9.287
275 HD21 LEU 17 HD21 LEU 17 -1.990 4.498 -11.496
276 HD22 LEU 17 HD22 LEU 17 -3.303 4.295 -10.336
277 HD23 LEU 17 HD23 LEU 17 -2.477 2.880 -10.990
278 H VAL 18 H VAL 18 -3.076 2.435 -6.424
279 HA VAL 18 HA VAL 18 -3.531 0.412 -8.517
280 HB VAL 18 HB VAL 18 -2.920 -1.216 -6.895
281 HG11 VAL 18 HG11 VAL 18 -1.233 0.784 -7.501
282 HG12 VAL 18 HG12 VAL 18 -0.781 -0.544 -6.435
283 HG13 VAL 18 HG13 VAL 18 -1.299 0.995 -5.753
284 HG21 VAL 18 HG21 VAL 18 -2.704 -0.501 -4.440
285 HG22 VAL 18 HG22 VAL 18 -4.345 -0.687 -5.060
286 HG23 VAL 18 HG23 VAL 18 -3.646 0.920 -4.889
287 H CYS 19 H CYS 19 -5.181 1.728 -5.689
288 HA CYS 19 HA CYS 19 -7.504 -0.046 -6.172
289 HB2 CYS 19 HB2 CYS 19 -7.021 2.024 -4.007
290 HB3 CYS 19 HB3 CYS 19 -8.354 0.869 -4.056
291 H GLY 20 H GLY 20 -7.196 3.432 -5.397
292 HA2 GLY 20 HA2 GLY 20 -8.131 5.288 -6.526
293 HA3 GLY 20 HA3 GLY 20 -8.686 4.192 -7.792
294 H GLU 21 H GLU 21 -10.830 3.713 -7.828
295 HA GLU 21 HA GLU 21 -12.599 4.925 -5.868
296 HB2 GLU 21 HB2 GLU 21 -12.818 3.795 -8.498
297 HB3 GLU 21 HB3 GLU 21 -14.017 3.035 -7.450
298 HG2 GLU 21 HG2 GLU 21 -13.609 6.031 -7.595
299 HG3 GLU 21 HG3 GLU 21 -14.793 5.170 -8.578
300 H ARG 22 H ARG 22 -10.986 1.897 -6.067
301 HA ARG 22 HA ARG 22 -12.980 0.423 -4.518
302 HE ARG 22 HE ARG 22 -12.178 -3.702 -5.028
303 HB2 ARG 22 HB2 ARG 22 -10.268 -0.126 -5.657
304 HB3 ARG 22 HB3 ARG 22 -10.861 -1.153 -4.357
305 HG2 ARG 22 HG2 ARG 22 -12.376 -0.575 -6.912
306 HG3 ARG 22 HG3 ARG 22 -11.450 -2.045 -6.606
307 HD2 ARG 22 HD2 ARG 22 -13.296 -1.431 -4.426
308 HD3 ARG 22 HD3 ARG 22 -14.129 -1.649 -5.965
309 HH11 ARG 22 HH11 ARG 22 -14.151 -3.591 -7.496
310 HH12 ARG 22 HH12 ARG 22 -15.294 -4.788 -6.985
311 HH21 ARG 22 HH21 ARG 22 -14.156 -4.864 -3.714
312 HH22 ARG 22 HH22 ARG 22 -15.296 -5.509 -4.846
313 H GLY 23 H GLY 23 -11.066 2.907 -3.673
314 HA2 GLY 23 HA2 GLY 23 -10.032 3.596 -1.675
315 HA3 GLY 23 HA3 GLY 23 -11.303 2.644 -0.908
316 H PHE 24 H PHE 24 -9.216 2.505 0.587
317 HA PHE 24 HA PHE 24 -8.082 -0.179 0.075
318 HD1 PHE 24 HD1 PHE 24 -6.281 2.887 2.368
319 HD2 PHE 24 HD2 PHE 24 -6.692 3.020 -1.907
320 HE1 PHE 24 HE1 PHE 24 -6.228 5.367 2.441
321 HE2 PHE 24 HE2 PHE 24 -6.638 5.499 -1.835
322 HZ PHE 24 HZ PHE 24 -6.399 6.675 0.336
323 HB2 PHE 24 HB2 PHE 24 -5.806 0.891 0.892
324 HB3 PHE 24 HB3 PHE 24 -6.254 0.951 -0.812
325 H PHE 25 H PHE 25 -6.943 -0.993 2.084
326 HA PHE 25 HA PHE 25 -8.325 0.104 4.493
327 HD1 PHE 25 HD1 PHE 25 -7.782 -0.963 6.939
328 HD2 PHE 25 HD2 PHE 25 -10.331 -3.134 4.244
329 HE1 PHE 25 HE1 PHE 25 -9.550 -1.047 8.678
330 HE2 PHE 25 HE2 PHE 25 -12.098 -3.218 5.983
331 HZ PHE 25 HZ PHE 25 -11.708 -2.174 8.201
332 HB2 PHE 25 HB2 PHE 25 -8.219 -2.485 3.525
333 HB3 PHE 25 HB3 PHE 25 -6.981 -2.487 4.783
334 H TYR 26 H TYR 26 -6.710 1.760 4.847
335 HA TYR 26 HA TYR 26 -3.943 0.863 5.364
336 HD1 TYR 26 HD1 TYR 26 -1.816 2.169 5.423
337 HD2 TYR 26 HD2 TYR 26 -4.627 5.016 6.991
338 HE1 TYR 26 HE1 TYR 26 -0.039 3.130 6.864
339 HE2 TYR 26 HE2 TYR 26 -2.852 5.978 8.431
340 HH TYR 26 HH TYR 26 -0.726 5.876 9.041
341 HB2 TYR 26 HB2 TYR 26 -4.078 2.941 4.211
342 HB3 TYR 26 HB3 TYR 26 -5.306 3.560 5.313
343 H THR 27 H THR 27 -3.194 0.428 7.390
344 HA THR 27 HA THR 27 -4.764 1.431 9.724
345 HB THR 27 HB THR 27 -4.852 -0.686 10.731
346 HG1 THR 27 HG1 THR 27 -2.981 -1.631 8.827
347 HG21 THR 27 HG21 THR 27 -4.916 -1.721 7.930
348 HG22 THR 27 HG22 THR 27 -6.026 -0.418 8.352
349 HG23 THR 27 HG23 THR 27 -6.081 -1.942 9.236
350 H LYS 28 H LYS 28 -3.463 1.474 11.734
351 HA LYS 28 HA LYS 28 -0.629 2.098 11.114
352 HB2 LYS 28 HB2 LYS 28 -2.568 3.215 12.887
353 HB3 LYS 28 HB3 LYS 28 -1.243 2.581 13.856
354 HG2 LYS 28 HG2 LYS 28 -0.772 4.898 13.211
355 HG3 LYS 28 HG3 LYS 28 0.376 3.802 12.440
356 HD2 LYS 28 HD2 LYS 28 -0.555 5.535 10.875
357 HD3 LYS 28 HD3 LYS 28 -0.866 3.877 10.356
358 HE2 LYS 28 HE2 LYS 28 -2.885 5.342 10.177
359 HE3 LYS 28 HE3 LYS 28 -3.126 3.968 11.255
360 HZ1 LYS 28 HZ1 LYS 28 -2.066 6.364 12.496
361 HZ2 LYS 28 HZ2 LYS 28 -3.251 5.281 13.053
362 HZ3 LYS 28 HZ3 LYS 28 -3.659 6.489 11.928
363 HA PRO 29 HA PRO 29 -0.031 -0.872 14.741
364 HB2 PRO 29 HB2 PRO 29 -2.223 -1.893 16.019
365 HB3 PRO 29 HB3 PRO 29 -1.495 -0.329 16.424
366 HG2 PRO 29 HG2 PRO 29 -4.031 -0.887 14.970
367 HG3 PRO 29 HG3 PRO 29 -3.574 0.525 15.938
368 HD2 PRO 29 HD2 PRO 29 -3.554 0.347 13.112
369 HD3 PRO 29 HD3 PRO 29 -2.854 1.645 14.097
370 H THR 30 H THR 30 -0.394 -3.338 15.232
371 HA THR 30 HA THR 30 -0.896 -4.660 12.640
372 HB THR 30 HB THR 30 -0.208 -6.638 14.449
373 HG1 THR 30 HG1 THR 30 0.615 -5.655 16.093
374 HG21 THR 30 HG21 THR 30 0.991 -5.146 12.274
375 HG22 THR 30 HG22 THR 30 1.218 -6.838 12.720
376 HG23 THR 30 HG23 THR 30 2.209 -5.588 13.473
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 -0.879 -2.746 10.051
2 H2 GLY 1 H2 GLY 1 -2.060 -3.967 10.073
3 H3 GLY 1 H3 GLY 1 -1.773 -3.086 8.649
4 HA2 GLY 1 HA2 GLY 1 0.615 -4.240 9.339
5 HA3 GLY 1 HA3 GLY 1 -0.591 -5.546 9.544
6 H ILE 2 H ILE 2 -0.458 -2.662 7.372
7 HA ILE 2 HA ILE 2 0.857 -4.278 5.261
8 HB ILE 2 HB ILE 2 -1.186 -3.387 4.441
9 HG12 ILE 2 HG12 ILE 2 1.178 -1.714 3.555
10 HG13 ILE 2 HG13 ILE 2 0.546 -3.175 2.795
11 HG21 ILE 2 HG21 ILE 2 -0.703 -0.534 4.743
12 HG22 ILE 2 HG22 ILE 2 -0.789 -1.335 6.306
13 HG23 ILE 2 HG23 ILE 2 -2.128 -1.476 5.173
14 HD11 ILE 2 HD11 ILE 2 -0.699 -0.425 2.883
15 HD12 ILE 2 HD12 ILE 2 -1.648 -1.862 2.503
16 HD13 ILE 2 HD13 ILE 2 -0.297 -1.399 1.469
17 HA ABA 3 HA ABA 3 3.414 -0.239 5.008
18 H ABA 3 H ABA 3 0.966 -0.835 6.192
19 HB2 ABA 3 HB2 ABA 3 3.562 1.560 6.768
20 HB3 ABA 3 HB3 ABA 3 2.049 1.538 5.874
21 HG1 ABA 3 HG1 ABA 3 1.629 1.790 8.286
22 HG2 ABA 3 HG2 ABA 3 2.516 0.299 8.602
23 HG3 ABA 3 HG3 ABA 3 1.000 0.249 7.704
24 H GLU 4 H GLU 4 2.813 -1.537 8.261
25 HA GLU 4 HA GLU 4 5.434 -1.445 9.236
26 HB2 GLU 4 HB2 GLU 4 4.059 -2.296 10.843
27 HB3 GLU 4 HB3 GLU 4 3.052 -3.135 9.670
28 HG2 GLU 4 HG2 GLU 4 4.354 -5.034 9.693
29 HG3 GLU 4 HG3 GLU 4 5.826 -4.144 10.083
30 H GLN 5 H GLN 5 4.025 -3.458 6.752
31 HA GLN 5 HA GLN 5 6.595 -4.951 6.482
32 HB2 GLN 5 HB2 GLN 5 4.078 -5.957 6.559
33 HB3 GLN 5 HB3 GLN 5 4.252 -5.704 4.822
34 HG2 GLN 5 HG2 GLN 5 5.738 -7.405 4.619
35 HG3 GLN 5 HG3 GLN 5 6.634 -6.897 6.051
36 HE21 GLN 5 HE21 GLN 5 6.393 -8.206 7.881
37 HE22 GLN 5 HE22 GLN 5 5.156 -9.348 8.096
38 H CYS 6 H CYS 6 4.344 -2.817 4.815
39 HA CYS 6 HA CYS 6 5.904 -2.897 2.324
40 HB2 CYS 6 HB2 CYS 6 3.406 -1.418 3.202
41 HB3 CYS 6 HB3 CYS 6 4.087 -1.315 1.595
42 H CYS 7 H CYS 7 5.905 -1.247 5.269
43 HA CYS 7 HA CYS 7 7.193 1.183 4.144
44 HB2 CYS 7 HB2 CYS 7 5.333 1.516 5.784
45 HB3 CYS 7 HB3 CYS 7 6.275 0.648 6.974
46 H THR 8 H THR 8 7.752 -1.675 6.128
47 HA THR 8 HA THR 8 10.479 -0.746 6.829
48 HB THR 8 HB THR 8 10.620 -2.836 8.114
49 HG1 THR 8 HG1 THR 8 8.381 -3.937 8.085
50 HG21 THR 8 HG21 THR 8 8.330 -0.970 8.409
51 HG22 THR 8 HG22 THR 8 9.623 -1.355 9.546
52 HG23 THR 8 HG23 THR 8 8.256 -2.453 9.361
53 H SER 9 H SER 9 8.799 -2.741 4.557
54 HA SER 9 HA SER 9 11.429 -3.590 3.408
55 HG SER 9 HG SER 9 10.776 -5.869 4.933
56 HB2 SER 9 HB2 SER 9 8.868 -5.142 3.025
57 HB3 SER 9 HB3 SER 9 10.526 -5.689 2.796
58 H ILE 10 H ILE 10 9.581 -4.713 1.152
59 HA ILE 10 HA ILE 10 9.093 -2.062 -0.143
60 HB ILE 10 HB ILE 10 10.326 -4.597 -1.199
61 HG12 ILE 10 HG12 ILE 10 11.687 -2.656 -2.346
62 HG13 ILE 10 HG13 ILE 10 10.981 -1.682 -1.057
63 HG21 ILE 10 HG21 ILE 10 8.432 -4.071 -2.709
64 HG22 ILE 10 HG22 ILE 10 9.985 -3.785 -3.495
65 HG23 ILE 10 HG23 ILE 10 9.042 -2.425 -2.883
66 HD11 ILE 10 HD11 ILE 10 12.862 -2.418 0.050
67 HD12 ILE 10 HD12 ILE 10 12.954 -3.910 -0.885
68 HD13 ILE 10 HD13 ILE 10 11.782 -3.761 0.424
69 H CYS 11 H CYS 11 7.188 -1.879 -1.383
70 HA CYS 11 HA CYS 11 5.346 -4.238 -1.265
71 HB2 CYS 11 HB2 CYS 11 4.995 -2.013 0.259
72 HB3 CYS 11 HB3 CYS 11 4.015 -1.632 -1.159
73 H SER 12 H SER 12 4.775 -4.867 -3.231
74 HA SER 12 HA SER 12 5.346 -3.227 -5.573
75 HG SER 12 HG SER 12 4.267 -7.066 -5.196
76 HB2 SER 12 HB2 SER 12 3.929 -5.365 -6.514
77 HB3 SER 12 HB3 SER 12 5.667 -5.372 -6.231
78 H LEU 13 H LEU 13 3.813 -2.683 -7.186
79 HA LEU 13 HA LEU 13 1.518 -1.316 -6.251
80 HG LEU 13 HG LEU 13 1.949 -3.579 -8.884
81 HB2 LEU 13 HB2 LEU 13 0.950 -1.081 -8.648
82 HB3 LEU 13 HB3 LEU 13 2.661 -0.756 -8.355
83 HD11 LEU 13 HD11 LEU 13 2.052 -1.573 -11.144
84 HD12 LEU 13 HD12 LEU 13 0.547 -2.221 -10.493
85 HD13 LEU 13 HD13 LEU 13 1.714 -3.300 -11.258
86 HD21 LEU 13 HD21 LEU 13 4.016 -2.736 -10.548
87 HD22 LEU 13 HD22 LEU 13 4.205 -3.510 -8.975
88 HD23 LEU 13 HD23 LEU 13 4.215 -1.751 -9.099
89 H TYR 14 H TYR 14 1.906 -4.672 -6.713
90 HA TYR 14 HA TYR 14 -1.020 -4.993 -7.183
91 HD1 TYR 14 HD1 TYR 14 -2.422 -6.693 -7.646
92 HD2 TYR 14 HD2 TYR 14 0.994 -9.158 -6.793
93 HE1 TYR 14 HE1 TYR 14 -3.927 -8.582 -7.083
94 HE2 TYR 14 HE2 TYR 14 -0.512 -11.048 -6.232
95 HH TYR 14 HH TYR 14 -3.185 -11.577 -7.067
96 HB2 TYR 14 HB2 TYR 14 0.224 -6.427 -8.654
97 HB3 TYR 14 HB3 TYR 14 1.318 -6.913 -7.359
98 H GLN 15 H GLN 15 1.630 -5.696 -5.074
99 HA GLN 15 HA GLN 15 0.217 -7.086 -3.020
100 HB2 GLN 15 HB2 GLN 15 2.761 -5.645 -3.417
101 HB3 GLN 15 HB3 GLN 15 2.163 -5.605 -1.759
102 HG2 GLN 15 HG2 GLN 15 2.098 -8.218 -3.190
103 HG3 GLN 15 HG3 GLN 15 3.669 -7.620 -2.655
104 HE21 GLN 15 HE21 GLN 15 0.853 -6.677 -0.799
105 HE22 GLN 15 HE22 GLN 15 1.143 -7.695 0.528
106 H LEU 16 H LEU 16 0.608 -3.757 -3.967
107 HA LEU 16 HA LEU 16 -0.713 -2.675 -1.580
108 HG LEU 16 HG LEU 16 2.006 -2.338 -2.819
109 HB2 LEU 16 HB2 LEU 16 0.189 -1.403 -4.184
110 HB3 LEU 16 HB3 LEU 16 -0.419 -0.522 -2.783
111 HD11 LEU 16 HD11 LEU 16 2.141 0.541 -2.084
112 HD12 LEU 16 HD12 LEU 16 1.973 0.147 -3.795
113 HD13 LEU 16 HD13 LEU 16 3.343 -0.477 -2.876
114 HD21 LEU 16 HD21 LEU 16 0.587 -0.838 -0.629
115 HD22 LEU 16 HD22 LEU 16 2.279 -1.313 -0.487
116 HD23 LEU 16 HD23 LEU 16 1.030 -2.543 -0.681
117 H GLU 17 H GLU 17 -1.459 -3.762 -4.758
118 HA GLU 17 HA GLU 17 -4.058 -2.489 -4.935
119 HB2 GLU 17 HB2 GLU 17 -2.743 -3.275 -6.912
120 HB3 GLU 17 HB3 GLU 17 -2.972 -4.933 -6.361
121 HG2 GLU 17 HG2 GLU 17 -5.383 -4.739 -6.586
122 HG3 GLU 17 HG3 GLU 17 -5.248 -3.023 -6.968
123 H ASN 18 H ASN 18 -2.696 -5.242 -3.361
124 HA ASN 18 HA ASN 18 -5.189 -6.748 -3.165
125 HB2 ASN 18 HB2 ASN 18 -2.628 -6.983 -1.556
126 HB3 ASN 18 HB3 ASN 18 -3.942 -8.160 -1.576
127 HD21 ASN 18 HD21 ASN 18 -1.339 -8.936 -2.403
128 HD22 ASN 18 HD22 ASN 18 -1.354 -9.226 -4.075
129 H TYR 19 H TYR 19 -4.321 -3.864 -1.838
130 HA TYR 19 HA TYR 19 -5.657 -4.448 0.760
131 HD1 TYR 19 HD1 TYR 19 -4.613 -4.434 2.772
132 HD2 TYR 19 HD2 TYR 19 -1.677 -2.984 -0.010
133 HE1 TYR 19 HE1 TYR 19 -2.880 -5.817 3.883
134 HE2 TYR 19 HE2 TYR 19 0.059 -4.368 1.101
135 HH TYR 19 HH TYR 19 -0.519 -5.956 4.124
136 HB2 TYR 19 HB2 TYR 19 -3.870 -2.190 -0.145
137 HB3 TYR 19 HB3 TYR 19 -4.780 -2.138 1.365
138 H CYS 20 H CYS 20 -6.754 -3.677 -2.153
139 HA CYS 20 HA CYS 20 -8.239 -1.235 -1.483
140 HB2 CYS 20 HB2 CYS 20 -8.996 -3.000 -3.784
141 HB3 CYS 20 HB3 CYS 20 -9.011 -1.244 -3.670
142 H ASN 21 H ASN 21 -10.737 -1.381 -1.935
143 HA ASN 21 HA ASN 21 -11.769 -3.464 -0.100
144 HB2 ASN 21 HB2 ASN 21 -12.315 -0.869 -0.110
145 HB3 ASN 21 HB3 ASN 21 -13.502 -1.349 -1.324
146 HD21 ASN 21 HD21 ASN 21 -14.789 -0.459 0.805
147 HD22 ASN 21 HD22 ASN 21 -15.326 -1.694 1.838
148 HA PHE 1 HA PHE 1 6.412 -1.156 -10.895
149 HD1 PHE 1 HD1 PHE 1 6.098 -1.838 -12.608
150 HD2 PHE 1 HD2 PHE 1 7.497 2.056 -13.772
151 HE1 PHE 1 HE1 PHE 1 7.108 -2.812 -14.653
152 HE2 PHE 1 HE2 PHE 1 8.508 1.080 -15.819
153 HZ PHE 1 HZ PHE 1 8.312 -1.354 -16.258
154 H1 PHE 1 H1 PHE 1 4.527 0.053 -9.865
155 H2 PHE 1 H2 PHE 1 5.643 1.105 -9.135
156 H3 PHE 1 H3 PHE 1 5.646 -0.548 -8.743
157 HB2 PHE 1 HB2 PHE 1 5.046 0.813 -11.923
158 HB3 PHE 1 HB3 PHE 1 6.511 1.757 -11.653
159 H VAL 2 H VAL 2 7.532 -0.565 -8.336
160 HA VAL 2 HA VAL 2 10.281 0.044 -9.178
161 HB VAL 2 HB VAL 2 10.411 1.696 -7.147
162 HG11 VAL 2 HG11 VAL 2 8.928 2.774 -9.532
163 HG12 VAL 2 HG12 VAL 2 10.545 2.101 -9.733
164 HG13 VAL 2 HG13 VAL 2 10.291 3.478 -8.662
165 HG21 VAL 2 HG21 VAL 2 7.649 2.482 -7.903
166 HG22 VAL 2 HG22 VAL 2 8.460 2.583 -6.340
167 HG23 VAL 2 HG23 VAL 2 7.782 1.048 -6.884
168 H ASN 3 H ASN 3 11.688 -0.013 -6.994
169 HA ASN 3 HA ASN 3 10.599 -2.219 -5.305
170 HB2 ASN 3 HB2 ASN 3 13.477 -1.853 -6.171
171 HB3 ASN 3 HB3 ASN 3 12.808 -3.206 -5.267
172 HD21 ASN 3 HD21 ASN 3 10.287 -3.101 -6.999
173 HD22 ASN 3 HD22 ASN 3 10.748 -3.836 -8.458
174 H GLN 4 H GLN 4 10.025 -0.090 -4.055
175 HA GLN 4 HA GLN 4 12.314 0.509 -2.253
176 HB2 GLN 4 HB2 GLN 4 11.474 2.302 -4.078
177 HB3 GLN 4 HB3 GLN 4 10.344 2.674 -2.774
178 HG2 GLN 4 HG2 GLN 4 12.032 3.297 -1.307
179 HG3 GLN 4 HG3 GLN 4 13.250 2.334 -2.142
180 HE21 GLN 4 HE21 GLN 4 11.105 5.168 -2.800
181 HE22 GLN 4 HE22 GLN 4 12.253 6.004 -3.729
182 H HIS 5 H HIS 5 11.290 1.895 -0.316
183 HA HIS 5 HA HIS 5 9.206 0.157 0.854
184 HD2 HIS 5 HD2 HIS 5 11.573 -1.169 3.129
185 HE1 HIS 5 HE1 HIS 5 14.817 0.534 1.019
186 HE2 HIS 5 HE2 HIS 5 14.056 -1.464 2.411
187 HB2 HIS 5 HB2 HIS 5 10.592 2.465 2.224
188 HB3 HIS 5 HB3 HIS 5 9.881 1.028 2.953
189 H LEU 6 H LEU 6 7.565 1.459 2.293
190 HA LEU 6 HA LEU 6 6.710 3.952 0.925
191 HG LEU 6 HG LEU 6 3.907 3.807 -0.139
192 HB2 LEU 6 HB2 LEU 6 5.481 1.388 0.679
193 HB3 LEU 6 HB3 LEU 6 4.399 2.376 1.639
194 HD11 LEU 6 HD11 LEU 6 5.502 3.997 -2.145
195 HD12 LEU 6 HD12 LEU 6 6.680 3.130 -1.164
196 HD13 LEU 6 HD13 LEU 6 6.075 4.699 -0.633
197 HD21 LEU 6 HD21 LEU 6 3.491 2.488 -2.070
198 HD22 LEU 6 HD22 LEU 6 3.443 1.360 -0.715
199 HD23 LEU 6 HD23 LEU 6 4.870 1.437 -1.748
200 H CYS 7 H CYS 7 4.761 4.917 2.208
201 HA CYS 7 HA CYS 7 4.066 4.336 4.807
202 HB2 CYS 7 HB2 CYS 7 6.860 4.944 4.712
203 HB3 CYS 7 HB3 CYS 7 6.047 6.256 5.551
204 H GLY 8 H GLY 8 2.720 5.954 5.621
205 HA2 GLY 8 HA2 GLY 8 1.475 7.941 5.598
206 HA3 GLY 8 HA3 GLY 8 2.941 8.738 5.025
207 H SER 9 H SER 9 1.956 10.007 3.429
208 HA SER 9 HA SER 9 -0.045 9.255 1.620
209 HG SER 9 HG SER 9 2.394 11.864 2.358
210 HB2 SER 9 HB2 SER 9 2.138 10.920 0.505
211 HB3 SER 9 HB3 SER 9 0.406 11.229 0.556
212 H ASP 10 H ASP 10 3.428 8.689 1.414
213 HA ASP 10 HA ASP 10 3.655 7.771 -1.223
214 HB2 ASP 10 HB2 ASP 10 4.980 6.372 1.105
215 HB3 ASP 10 HB3 ASP 10 5.606 6.587 -0.528
216 H LEU 11 H LEU 11 2.366 6.101 1.610
217 HA LEU 11 HA LEU 11 2.016 3.574 0.218
218 HG LEU 11 HG LEU 11 -0.180 2.299 2.129
219 HB2 LEU 11 HB2 LEU 11 2.244 3.968 2.757
220 HB3 LEU 11 HB3 LEU 11 0.553 4.451 2.710
221 HD11 LEU 11 HD11 LEU 11 2.667 1.787 1.233
222 HD12 LEU 11 HD12 LEU 11 1.215 1.818 0.233
223 HD13 LEU 11 HD13 LEU 11 1.463 0.507 1.387
224 HD21 LEU 11 HD21 LEU 11 1.446 0.748 3.564
225 HD22 LEU 11 HD22 LEU 11 0.422 1.960 4.335
226 HD23 LEU 11 HD23 LEU 11 2.125 2.307 4.032
227 H VAL 12 H VAL 12 -0.216 6.185 1.244
228 HA VAL 12 HA VAL 12 -2.524 5.001 0.018
229 HB VAL 12 HB VAL 12 -3.645 6.969 0.545
230 HG11 VAL 12 HG11 VAL 12 -2.921 7.605 2.677
231 HG12 VAL 12 HG12 VAL 12 -1.217 7.506 2.232
232 HG13 VAL 12 HG13 VAL 12 -2.155 6.031 2.462
233 HG21 VAL 12 HG21 VAL 12 -2.548 9.214 0.577
234 HG22 VAL 12 HG22 VAL 12 -2.466 8.447 -1.009
235 HG23 VAL 12 HG23 VAL 12 -1.047 8.460 0.038
236 H GLU 13 H GLU 13 -0.101 7.322 -1.153
237 HA GLU 13 HA GLU 13 -1.212 7.883 -3.675
238 HB2 GLU 13 HB2 GLU 13 0.852 8.767 -4.208
239 HB3 GLU 13 HB3 GLU 13 1.059 8.636 -2.466
240 HG2 GLU 13 HG2 GLU 13 2.993 7.578 -3.164
241 HG3 GLU 13 HG3 GLU 13 1.904 6.191 -3.110
242 H ALA 14 H ALA 14 0.387 5.002 -2.479
243 HA ALA 14 HA ALA 14 0.429 3.757 -5.154
244 HB1 ALA 14 HB1 ALA 14 1.935 3.379 -2.846
245 HB2 ALA 14 HB2 ALA 14 1.901 2.291 -4.233
246 HB3 ALA 14 HB3 ALA 14 0.850 1.988 -2.850
247 H LEU 15 H LEU 15 -1.213 3.330 -2.011
248 HA LEU 15 HA LEU 15 -2.953 1.222 -2.771
249 HG LEU 15 HG LEU 15 -1.530 2.306 -0.060
250 HB2 LEU 15 HB2 LEU 15 -3.380 3.525 -0.849
251 HB3 LEU 15 HB3 LEU 15 -4.425 2.105 -0.925
252 HD11 LEU 15 HD11 LEU 15 -3.131 2.489 1.706
253 HD12 LEU 15 HD12 LEU 15 -2.446 0.867 1.801
254 HD13 LEU 15 HD13 LEU 15 -4.047 1.109 1.101
255 HD21 LEU 15 HD21 LEU 15 -1.364 -0.160 -0.090
256 HD22 LEU 15 HD22 LEU 15 -1.614 0.459 -1.722
257 HD23 LEU 15 HD23 LEU 15 -2.958 -0.268 -0.840
258 H TYR 16 H TYR 16 -3.309 4.750 -3.018
259 HA TYR 16 HA TYR 16 -5.950 4.709 -4.160
260 HD1 TYR 16 HD1 TYR 16 -7.351 6.298 -4.979
261 HD2 TYR 16 HD2 TYR 16 -4.827 7.999 -1.944
262 HE1 TYR 16 HE1 TYR 16 -9.341 7.288 -3.879
263 HE2 TYR 16 HE2 TYR 16 -6.818 8.991 -0.845
264 HH TYR 16 HH TYR 16 -9.264 9.711 -1.782
265 HB2 TYR 16 HB2 TYR 16 -3.876 6.662 -3.588
266 HB3 TYR 16 HB3 TYR 16 -4.599 6.966 -5.165
267 H LEU 17 H LEU 17 -2.683 4.665 -5.540
268 HA LEU 17 HA LEU 17 -3.576 4.802 -8.289
269 HG LEU 17 HG LEU 17 -1.020 2.736 -8.946
270 HB2 LEU 17 HB2 LEU 17 -1.367 5.561 -7.901
271 HB3 LEU 17 HB3 LEU 17 -0.956 4.126 -6.963
272 HD11 LEU 17 HD11 LEU 17 -1.633 5.179 -10.609
273 HD12 LEU 17 HD12 LEU 17 -2.923 4.164 -9.965
274 HD13 LEU 17 HD13 LEU 17 -1.734 3.481 -11.075
275 HD21 LEU 17 HD21 LEU 17 1.072 3.960 -8.539
276 HD22 LEU 17 HD22 LEU 17 0.463 5.334 -9.462
277 HD23 LEU 17 HD23 LEU 17 0.791 3.802 -10.272
278 H VAL 18 H VAL 18 -2.392 2.141 -6.250
279 HA VAL 18 HA VAL 18 -2.499 0.079 -8.150
280 HB VAL 18 HB VAL 18 -2.710 -1.475 -6.326
281 HG11 VAL 18 HG11 VAL 18 -1.331 0.272 -4.601
282 HG12 VAL 18 HG12 VAL 18 -0.972 0.813 -6.242
283 HG13 VAL 18 HG13 VAL 18 -0.636 -0.853 -5.768
284 HG21 VAL 18 HG21 VAL 18 -4.686 -0.202 -5.306
285 HG22 VAL 18 HG22 VAL 18 -3.482 0.824 -4.527
286 HG23 VAL 18 HG23 VAL 18 -3.537 -0.896 -4.168
287 H CYS 19 H CYS 19 -5.085 1.657 -6.403
288 HA CYS 19 HA CYS 19 -6.985 0.162 -8.132
289 HB2 CYS 19 HB2 CYS 19 -7.102 0.598 -5.161
290 HB3 CYS 19 HB3 CYS 19 -8.578 0.351 -6.093
291 H GLY 20 H GLY 20 -7.285 2.763 -5.682
292 HA2 GLY 20 HA2 GLY 20 -7.544 5.112 -6.421
293 HA3 GLY 20 HA3 GLY 20 -8.344 4.502 -7.868
294 H GLU 21 H GLU 21 -10.542 4.334 -7.826
295 HA GLU 21 HA GLU 21 -11.994 5.370 -5.555
296 HB2 GLU 21 HB2 GLU 21 -12.544 5.283 -8.172
297 HB3 GLU 21 HB3 GLU 21 -13.419 3.834 -7.674
298 HG2 GLU 21 HG2 GLU 21 -14.534 5.208 -5.884
299 HG3 GLU 21 HG3 GLU 21 -13.777 6.639 -6.585
300 H ARG 22 H ARG 22 -10.759 2.271 -6.162
301 HA ARG 22 HA ARG 22 -12.937 0.740 -5.007
302 HE ARG 22 HE ARG 22 -13.281 -3.707 -4.521
303 HB2 ARG 22 HB2 ARG 22 -10.432 0.173 -6.235
304 HB3 ARG 22 HB3 ARG 22 -10.424 -0.586 -4.644
305 HG2 ARG 22 HG2 ARG 22 -12.453 -0.962 -6.856
306 HG3 ARG 22 HG3 ARG 22 -11.400 -2.183 -6.141
307 HD2 ARG 22 HD2 ARG 22 -12.609 -1.529 -3.906
308 HD3 ARG 22 HD3 ARG 22 -13.851 -0.886 -4.979
309 HH11 ARG 22 HH11 ARG 22 -16.023 -2.685 -4.996
310 HH12 ARG 22 HH12 ARG 22 -16.342 -3.194 -6.621
311 HH21 ARG 22 HH21 ARG 22 -13.010 -3.785 -7.372
312 HH22 ARG 22 HH22 ARG 22 -14.636 -3.811 -7.968
313 H GLY 23 H GLY 23 -10.899 2.981 -3.655
314 HA2 GLY 23 HA2 GLY 23 -10.412 3.520 -1.425
315 HA3 GLY 23 HA3 GLY 23 -11.689 2.388 -0.975
316 H PHE 24 H PHE 24 -9.266 2.640 0.489
317 HA PHE 24 HA PHE 24 -8.169 -0.099 0.067
318 HD1 PHE 24 HD1 PHE 24 -7.531 2.979 2.253
319 HD2 PHE 24 HD2 PHE 24 -5.776 3.189 -1.666
320 HE1 PHE 24 HE1 PHE 24 -7.526 5.459 2.385
321 HE2 PHE 24 HE2 PHE 24 -5.773 5.666 -1.532
322 HZ PHE 24 HZ PHE 24 -6.640 6.801 0.493
323 HB2 PHE 24 HB2 PHE 24 -5.933 1.014 0.904
324 HB3 PHE 24 HB3 PHE 24 -6.374 1.110 -0.799
325 H PHE 25 H PHE 25 -6.677 -0.554 2.154
326 HA PHE 25 HA PHE 25 -8.211 0.413 4.535
327 HD1 PHE 25 HD1 PHE 25 -10.356 -0.834 3.958
328 HD2 PHE 25 HD2 PHE 25 -7.929 -2.616 7.023
329 HE1 PHE 25 HE1 PHE 25 -12.314 -0.876 5.483
330 HE2 PHE 25 HE2 PHE 25 -9.885 -2.659 8.548
331 HZ PHE 25 HZ PHE 25 -12.078 -1.789 7.778
332 HB2 PHE 25 HB2 PHE 25 -8.071 -2.218 3.549
333 HB3 PHE 25 HB3 PHE 25 -6.989 -2.185 4.941
334 H TYR 26 H TYR 26 -6.574 2.002 4.958
335 HA TYR 26 HA TYR 26 -3.800 1.091 5.349
336 HD1 TYR 26 HD1 TYR 26 -1.624 2.686 5.292
337 HD2 TYR 26 HD2 TYR 26 -4.572 4.819 7.578
338 HE1 TYR 26 HE1 TYR 26 0.159 3.551 6.784
339 HE2 TYR 26 HE2 TYR 26 -2.789 5.683 9.072
340 HH TYR 26 HH TYR 26 0.469 5.556 8.305
341 HB2 TYR 26 HB2 TYR 26 -3.980 3.270 4.405
342 HB3 TYR 26 HB3 TYR 26 -5.195 3.762 5.578
343 H THR 27 H THR 27 -2.955 0.535 7.322
344 HA THR 27 HA THR 27 -4.387 1.386 9.781
345 HB THR 27 HB THR 27 -4.797 -0.754 10.574
346 HG1 THR 27 HG1 THR 27 -3.125 -2.000 10.500
347 HG21 THR 27 HG21 THR 27 -5.716 -2.120 8.719
348 HG22 THR 27 HG22 THR 27 -4.881 -1.084 7.561
349 HG23 THR 27 HG23 THR 27 -6.170 -0.422 8.569
350 H LYS 28 H LYS 28 -3.026 1.150 11.717
351 HA LYS 28 HA LYS 28 -0.146 1.338 11.005
352 HB2 LYS 28 HB2 LYS 28 -1.819 2.777 12.795
353 HB3 LYS 28 HB3 LYS 28 -0.630 1.917 13.763
354 HG2 LYS 28 HG2 LYS 28 1.156 3.047 12.898
355 HG3 LYS 28 HG3 LYS 28 0.409 3.236 11.315
356 HD2 LYS 28 HD2 LYS 28 -0.111 4.870 13.815
357 HD3 LYS 28 HD3 LYS 28 0.523 5.436 12.270
358 HE2 LYS 28 HE2 LYS 28 -1.913 4.211 11.621
359 HE3 LYS 28 HE3 LYS 28 -2.244 5.103 13.105
360 HZ1 LYS 28 HZ1 LYS 28 -1.376 6.101 10.489
361 HZ2 LYS 28 HZ2 LYS 28 -0.906 6.953 11.882
362 HZ3 LYS 28 HZ3 LYS 28 -2.553 6.717 11.542
363 HA PRO 29 HA PRO 29 0.057 -1.726 14.570
364 HB2 PRO 29 HB2 PRO 29 -2.184 -2.292 16.024
365 HB3 PRO 29 HB3 PRO 29 -1.154 -0.878 16.322
366 HG2 PRO 29 HG2 PRO 29 -3.856 -0.980 15.085
367 HG3 PRO 29 HG3 PRO 29 -3.064 0.342 15.957
368 HD2 PRO 29 HD2 PRO 29 -3.294 0.057 13.133
369 HD3 PRO 29 HD3 PRO 29 -2.344 1.267 14.015
370 H THR 30 H THR 30 -0.292 -4.080 14.774
371 HA THR 30 HA THR 30 -1.355 -5.276 12.369
372 HB THR 30 HB THR 30 -0.702 -6.743 14.932
373 HG1 THR 30 HG1 THR 30 0.968 -5.557 12.999
374 HG21 THR 30 HG21 THR 30 -0.779 -8.599 13.646
375 HG22 THR 30 HG22 THR 30 0.149 -7.834 12.356
376 HG23 THR 30 HG23 THR 30 -1.596 -7.596 12.448
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 0.258 -3.627 10.070
2 H2 GLY 1 H2 GLY 1 -0.705 -4.649 11.026
3 H3 GLY 1 H3 GLY 1 -1.335 -3.976 9.598
4 HA2 GLY 1 HA2 GLY 1 0.985 -5.665 9.339
5 HA3 GLY 1 HA3 GLY 1 -0.566 -6.497 9.662
6 H ILE 2 H ILE 2 -0.224 -3.516 7.794
7 HA ILE 2 HA ILE 2 0.547 -5.040 5.358
8 HB ILE 2 HB ILE 2 -1.515 -4.177 4.817
9 HG12 ILE 2 HG12 ILE 2 0.661 -2.934 3.596
10 HG13 ILE 2 HG13 ILE 2 -0.990 -2.954 3.000
11 HG21 ILE 2 HG21 ILE 2 -1.729 -2.948 7.006
12 HG22 ILE 2 HG22 ILE 2 -2.489 -2.151 5.634
13 HG23 ILE 2 HG23 ILE 2 -0.945 -1.569 6.240
14 HD11 ILE 2 HD11 ILE 2 0.190 -0.825 4.812
15 HD12 ILE 2 HD12 ILE 2 -1.459 -0.847 4.190
16 HD13 ILE 2 HD13 ILE 2 -0.101 -0.655 3.082
17 HA ABA 3 HA ABA 3 3.110 -1.090 4.816
18 H ABA 3 H ABA 3 0.820 -1.635 6.341
19 HB2 ABA 3 HB2 ABA 3 3.413 0.818 6.418
20 HB3 ABA 3 HB3 ABA 3 1.802 0.715 5.728
21 HG1 ABA 3 HG1 ABA 3 2.714 0.179 8.517
22 HG2 ABA 3 HG2 ABA 3 1.390 -0.801 7.890
23 HG3 ABA 3 HG3 ABA 3 1.236 0.955 7.950
24 H GLU 4 H GLU 4 2.789 -2.398 8.076
25 HA GLU 4 HA GLU 4 5.469 -2.191 8.903
26 HB2 GLU 4 HB2 GLU 4 4.376 -3.175 10.622
27 HB3 GLU 4 HB3 GLU 4 3.141 -3.826 9.553
28 HG2 GLU 4 HG2 GLU 4 4.559 -5.715 8.979
29 HG3 GLU 4 HG3 GLU 4 5.890 -5.041 9.919
30 H GLN 5 H GLN 5 3.968 -4.181 6.479
31 HA GLN 5 HA GLN 5 6.532 -5.633 5.995
32 HB2 GLN 5 HB2 GLN 5 4.072 -6.696 6.184
33 HB3 GLN 5 HB3 GLN 5 4.033 -6.254 4.478
34 HG2 GLN 5 HG2 GLN 5 5.012 -8.306 4.224
35 HG3 GLN 5 HG3 GLN 5 6.480 -7.397 4.587
36 HE21 GLN 5 HE21 GLN 5 3.940 -9.403 6.146
37 HE22 GLN 5 HE22 GLN 5 4.914 -9.898 7.445
38 H CYS 6 H CYS 6 4.187 -3.413 4.639
39 HA CYS 6 HA CYS 6 5.625 -3.283 2.060
40 HB2 CYS 6 HB2 CYS 6 3.046 -2.084 3.104
41 HB3 CYS 6 HB3 CYS 6 3.662 -1.804 1.493
42 H CYS 7 H CYS 7 6.243 -2.089 4.946
43 HA CYS 7 HA CYS 7 7.089 0.586 3.928
44 HB2 CYS 7 HB2 CYS 7 5.167 0.738 5.536
45 HB3 CYS 7 HB3 CYS 7 6.179 -0.019 6.756
46 H THR 8 H THR 8 7.793 -2.248 5.918
47 HA THR 8 HA THR 8 10.405 -1.135 6.730
48 HB THR 8 HB THR 8 10.649 -3.131 8.044
49 HG1 THR 8 HG1 THR 8 10.021 -4.841 6.998
50 HG21 THR 8 HG21 THR 8 8.191 -3.272 9.032
51 HG22 THR 8 HG22 THR 8 7.935 -1.874 7.987
52 HG23 THR 8 HG23 THR 8 9.169 -1.820 9.247
53 H SER 9 H SER 9 9.061 -3.317 4.343
54 HA SER 9 HA SER 9 11.841 -3.821 3.360
55 HG SER 9 HG SER 9 9.159 -5.799 4.612
56 HB2 SER 9 HB2 SER 9 10.548 -5.838 2.205
57 HB3 SER 9 HB3 SER 9 11.152 -5.972 3.855
58 H ILE 10 H ILE 10 9.153 -4.820 1.428
59 HA ILE 10 HA ILE 10 9.078 -2.312 -0.101
60 HB ILE 10 HB ILE 10 10.457 -4.811 -1.029
61 HG12 ILE 10 HG12 ILE 10 11.680 -2.821 -2.280
62 HG13 ILE 10 HG13 ILE 10 10.909 -1.858 -1.019
63 HG21 ILE 10 HG21 ILE 10 10.157 -3.817 -3.398
64 HG22 ILE 10 HG22 ILE 10 8.770 -2.969 -2.714
65 HG23 ILE 10 HG23 ILE 10 8.812 -4.733 -2.718
66 HD11 ILE 10 HD11 ILE 10 12.587 -2.457 0.356
67 HD12 ILE 10 HD12 ILE 10 13.214 -3.605 -0.827
68 HD13 ILE 10 HD13 ILE 10 11.956 -4.102 0.306
69 H CYS 11 H CYS 11 7.171 -2.149 -1.314
70 HA CYS 11 HA CYS 11 5.425 -4.576 -1.349
71 HB2 CYS 11 HB2 CYS 11 4.908 -2.511 0.313
72 HB3 CYS 11 HB3 CYS 11 4.018 -2.009 -1.130
73 H SER 12 H SER 12 4.831 -5.103 -3.340
74 HA SER 12 HA SER 12 5.437 -3.344 -5.587
75 HG SER 12 HG SER 12 5.366 -6.750 -4.665
76 HB2 SER 12 HB2 SER 12 4.050 -5.405 -6.685
77 HB3 SER 12 HB3 SER 12 5.771 -5.476 -6.314
78 H LEU 13 H LEU 13 3.876 -2.813 -7.228
79 HA LEU 13 HA LEU 13 1.582 -1.459 -6.225
80 HG LEU 13 HG LEU 13 2.076 -3.612 -8.936
81 HB2 LEU 13 HB2 LEU 13 1.021 -1.135 -8.619
82 HB3 LEU 13 HB3 LEU 13 2.726 -0.800 -8.300
83 HD11 LEU 13 HD11 LEU 13 1.585 -3.340 -11.190
84 HD12 LEU 13 HD12 LEU 13 2.275 -1.717 -11.248
85 HD13 LEU 13 HD13 LEU 13 0.705 -1.982 -10.488
86 HD21 LEU 13 HD21 LEU 13 4.111 -2.296 -10.528
87 HD22 LEU 13 HD22 LEU 13 4.286 -3.615 -9.370
88 HD23 LEU 13 HD23 LEU 13 4.332 -1.942 -8.814
89 H TYR 14 H TYR 14 2.042 -4.776 -6.817
90 HA TYR 14 HA TYR 14 -0.877 -5.152 -7.289
91 HD1 TYR 14 HD1 TYR 14 -0.588 -8.300 -5.883
92 HD2 TYR 14 HD2 TYR 14 -0.937 -7.398 -10.072
93 HE1 TYR 14 HE1 TYR 14 -2.432 -9.946 -6.086
94 HE2 TYR 14 HE2 TYR 14 -2.779 -9.047 -10.273
95 HH TYR 14 HH TYR 14 -3.370 -11.357 -8.580
96 HB2 TYR 14 HB2 TYR 14 0.727 -6.352 -8.828
97 HB3 TYR 14 HB3 TYR 14 1.351 -7.215 -7.422
98 H GLN 15 H GLN 15 1.799 -5.744 -5.221
99 HA GLN 15 HA GLN 15 0.415 -7.361 -3.272
100 HB2 GLN 15 HB2 GLN 15 2.982 -5.933 -3.600
101 HB3 GLN 15 HB3 GLN 15 2.413 -6.047 -1.936
102 HG2 GLN 15 HG2 GLN 15 2.523 -8.435 -3.785
103 HG3 GLN 15 HG3 GLN 15 3.875 -7.982 -2.747
104 HE21 GLN 15 HE21 GLN 15 3.727 -8.493 -0.505
105 HE22 GLN 15 HE22 GLN 15 2.387 -9.270 0.189
106 H LEU 16 H LEU 16 0.814 -3.991 -4.031
107 HA LEU 16 HA LEU 16 -0.458 -3.025 -1.566
108 HG LEU 16 HG LEU 16 2.226 -2.573 -2.700
109 HB2 LEU 16 HB2 LEU 16 0.437 -1.652 -4.120
110 HB3 LEU 16 HB3 LEU 16 -0.239 -0.814 -2.725
111 HD11 LEU 16 HD11 LEU 16 2.125 0.374 -2.111
112 HD12 LEU 16 HD12 LEU 16 2.334 -0.215 -3.760
113 HD13 LEU 16 HD13 LEU 16 3.520 -0.623 -2.519
114 HD21 LEU 16 HD21 LEU 16 1.090 -2.761 -0.602
115 HD22 LEU 16 HD22 LEU 16 0.772 -1.029 -0.551
116 HD23 LEU 16 HD23 LEU 16 2.418 -1.628 -0.358
117 H GLU 17 H GLU 17 -1.255 -3.953 -4.785
118 HA GLU 17 HA GLU 17 -3.843 -2.674 -4.889
119 HB2 GLU 17 HB2 GLU 17 -2.563 -3.490 -6.896
120 HB3 GLU 17 HB3 GLU 17 -2.834 -5.140 -6.348
121 HG2 GLU 17 HG2 GLU 17 -5.173 -3.286 -6.682
122 HG3 GLU 17 HG3 GLU 17 -4.481 -4.081 -8.094
123 H ASN 18 H ASN 18 -2.473 -5.510 -3.446
124 HA ASN 18 HA ASN 18 -5.032 -6.899 -3.109
125 HB2 ASN 18 HB2 ASN 18 -2.769 -8.042 -3.287
126 HB3 ASN 18 HB3 ASN 18 -2.436 -7.453 -1.658
127 HD21 ASN 18 HD21 ASN 18 -5.013 -9.257 -3.438
128 HD22 ASN 18 HD22 ASN 18 -5.386 -10.286 -2.140
129 H TYR 19 H TYR 19 -3.826 -4.176 -1.716
130 HA TYR 19 HA TYR 19 -4.913 -4.858 0.971
131 HD1 TYR 19 HD1 TYR 19 -3.879 -4.871 2.969
132 HD2 TYR 19 HD2 TYR 19 -0.903 -3.694 0.104
133 HE1 TYR 19 HE1 TYR 19 -2.239 -6.388 4.048
134 HE2 TYR 19 HE2 TYR 19 0.739 -5.210 1.181
135 HH TYR 19 HH TYR 19 0.111 -6.723 4.231
136 HB2 TYR 19 HB2 TYR 19 -3.017 -2.735 -0.009
137 HB3 TYR 19 HB3 TYR 19 -3.860 -2.553 1.530
138 H CYS 20 H CYS 20 -6.196 -3.813 -1.801
139 HA CYS 20 HA CYS 20 -7.543 -1.400 -0.791
140 HB2 CYS 20 HB2 CYS 20 -8.562 -2.878 -3.189
141 HB3 CYS 20 HB3 CYS 20 -8.437 -1.143 -2.911
142 H ASN 21 H ASN 21 -9.989 -1.354 -0.733
143 HA ASN 21 HA ASN 21 -10.940 -3.691 0.783
144 HB2 ASN 21 HB2 ASN 21 -11.426 -1.328 1.497
145 HB3 ASN 21 HB3 ASN 21 -12.434 -1.154 0.060
146 HD21 ASN 21 HD21 ASN 21 -12.367 -2.361 3.310
147 HD22 ASN 21 HD22 ASN 21 -13.900 -3.091 3.295
148 HA PHE 1 HA PHE 1 4.442 0.221 -9.152
149 HD1 PHE 1 HD1 PHE 1 2.460 2.239 -9.903
150 HD2 PHE 1 HD2 PHE 1 6.644 3.023 -10.492
151 HE1 PHE 1 HE1 PHE 1 2.021 2.799 -12.282
152 HE2 PHE 1 HE2 PHE 1 6.206 3.582 -12.869
153 HZ PHE 1 HZ PHE 1 3.895 3.470 -13.764
154 H1 PHE 1 H1 PHE 1 3.741 0.148 -6.982
155 H2 PHE 1 H2 PHE 1 5.043 1.074 -6.402
156 H3 PHE 1 H3 PHE 1 5.280 -0.550 -6.842
157 HB2 PHE 1 HB2 PHE 1 4.004 2.546 -7.994
158 HB3 PHE 1 HB3 PHE 1 5.731 2.785 -8.263
159 H VAL 2 H VAL 2 7.036 0.424 -6.847
160 HA VAL 2 HA VAL 2 8.911 -0.491 -8.961
161 HB VAL 2 HB VAL 2 10.657 1.075 -8.121
162 HG11 VAL 2 HG11 VAL 2 8.093 2.402 -9.053
163 HG12 VAL 2 HG12 VAL 2 9.311 1.669 -10.098
164 HG13 VAL 2 HG13 VAL 2 9.706 3.108 -9.158
165 HG21 VAL 2 HG21 VAL 2 8.861 2.965 -6.870
166 HG22 VAL 2 HG22 VAL 2 10.339 2.253 -6.224
167 HG23 VAL 2 HG23 VAL 2 8.797 1.422 -6.019
168 H ASN 3 H ASN 3 11.215 -0.568 -7.395
169 HA ASN 3 HA ASN 3 10.427 -2.599 -5.366
170 HB2 ASN 3 HB2 ASN 3 12.935 -3.135 -5.469
171 HB3 ASN 3 HB3 ASN 3 11.971 -3.520 -6.890
172 HD21 ASN 3 HD21 ASN 3 12.660 -2.620 -8.856
173 HD22 ASN 3 HD22 ASN 3 13.798 -1.368 -8.989
174 H GLN 4 H GLN 4 9.827 -0.465 -4.217
175 HA GLN 4 HA GLN 4 12.137 0.291 -2.496
176 HB2 GLN 4 HB2 GLN 4 11.787 2.109 -4.102
177 HB3 GLN 4 HB3 GLN 4 10.074 2.170 -3.688
178 HG2 GLN 4 HG2 GLN 4 10.512 2.983 -1.511
179 HG3 GLN 4 HG3 GLN 4 12.216 2.533 -1.596
180 HE21 GLN 4 HE21 GLN 4 11.723 5.161 -0.918
181 HE22 GLN 4 HE22 GLN 4 12.063 6.193 -2.222
182 H HIS 5 H HIS 5 11.295 1.386 -0.434
183 HA HIS 5 HA HIS 5 9.331 -0.328 0.799
184 HD2 HIS 5 HD2 HIS 5 12.282 -0.682 2.987
185 HE1 HIS 5 HE1 HIS 5 14.628 1.973 0.678
186 HE2 HIS 5 HE2 HIS 5 14.681 -0.101 2.163
187 HB2 HIS 5 HB2 HIS 5 10.031 2.305 2.031
188 HB3 HIS 5 HB3 HIS 5 9.894 0.717 2.784
189 H LEU 6 H LEU 6 7.745 1.357 2.315
190 HA LEU 6 HA LEU 6 6.357 3.272 0.588
191 HG LEU 6 HG LEU 6 3.578 1.511 -0.714
192 HB2 LEU 6 HB2 LEU 6 5.621 0.547 0.546
193 HB3 LEU 6 HB3 LEU 6 4.385 1.369 1.478
194 HD11 LEU 6 HD11 LEU 6 3.962 3.753 0.488
195 HD12 LEU 6 HD12 LEU 6 3.584 3.780 -1.232
196 HD13 LEU 6 HD13 LEU 6 5.245 4.007 -0.692
197 HD21 LEU 6 HD21 LEU 6 6.025 2.564 -1.980
198 HD22 LEU 6 HD22 LEU 6 4.839 1.412 -2.595
199 HD23 LEU 6 HD23 LEU 6 6.098 0.875 -1.482
200 H CYS 7 H CYS 7 4.917 4.570 1.791
201 HA CYS 7 HA CYS 7 3.805 4.028 4.265
202 HB2 CYS 7 HB2 CYS 7 6.663 4.321 4.439
203 HB3 CYS 7 HB3 CYS 7 5.887 5.622 5.334
204 H GLY 8 H GLY 8 2.922 5.954 5.299
205 HA2 GLY 8 HA2 GLY 8 1.963 8.090 5.209
206 HA3 GLY 8 HA3 GLY 8 3.512 8.621 4.554
207 H SER 9 H SER 9 2.671 9.990 2.962
208 HA SER 9 HA SER 9 0.511 9.522 1.249
209 HG SER 9 HG SER 9 1.700 12.748 1.085
210 HB2 SER 9 HB2 SER 9 3.079 11.039 0.899
211 HB3 SER 9 HB3 SER 9 1.938 10.911 -0.437
212 H ASP 10 H ASP 10 3.865 8.468 0.876
213 HA ASP 10 HA ASP 10 3.769 7.367 -1.694
214 HB2 ASP 10 HB2 ASP 10 5.058 6.014 0.693
215 HB3 ASP 10 HB3 ASP 10 5.508 5.823 -0.998
216 H LEU 11 H LEU 11 2.965 5.668 1.346
217 HA LEU 11 HA LEU 11 2.118 3.264 0.208
218 HG LEU 11 HG LEU 11 -0.279 2.462 2.112
219 HB2 LEU 11 HB2 LEU 11 2.335 3.857 2.685
220 HB3 LEU 11 HB3 LEU 11 0.721 4.553 2.563
221 HD11 LEU 11 HD11 LEU 11 2.509 1.623 1.330
222 HD12 LEU 11 HD12 LEU 11 1.017 1.504 0.397
223 HD13 LEU 11 HD13 LEU 11 1.298 0.414 1.755
224 HD21 LEU 11 HD21 LEU 11 0.042 1.977 4.294
225 HD22 LEU 11 HD22 LEU 11 1.680 2.629 4.265
226 HD23 LEU 11 HD23 LEU 11 1.387 0.959 3.780
227 H VAL 12 H VAL 12 0.027 6.119 0.915
228 HA VAL 12 HA VAL 12 -2.292 4.916 -0.284
229 HB VAL 12 HB VAL 12 -3.375 6.934 0.079
230 HG11 VAL 12 HG11 VAL 12 -2.823 7.421 2.227
231 HG12 VAL 12 HG12 VAL 12 -1.150 7.798 1.817
232 HG13 VAL 12 HG13 VAL 12 -1.650 6.119 2.026
233 HG21 VAL 12 HG21 VAL 12 -0.762 8.429 -0.297
234 HG22 VAL 12 HG22 VAL 12 -2.367 9.136 -0.138
235 HG23 VAL 12 HG23 VAL 12 -1.956 8.196 -1.572
236 H GLU 13 H GLU 13 0.173 7.152 -1.572
237 HA GLU 13 HA GLU 13 -0.878 7.545 -4.136
238 HB2 GLU 13 HB2 GLU 13 1.196 8.369 -4.679
239 HB3 GLU 13 HB3 GLU 13 1.435 8.262 -2.939
240 HG2 GLU 13 HG2 GLU 13 3.300 7.086 -3.574
241 HG3 GLU 13 HG3 GLU 13 2.152 5.750 -3.639
242 H ALA 14 H ALA 14 0.453 4.676 -2.701
243 HA ALA 14 HA ALA 14 0.551 3.261 -5.298
244 HB1 ALA 14 HB1 ALA 14 1.290 2.512 -2.461
245 HB2 ALA 14 HB2 ALA 14 2.349 2.636 -3.866
246 HB3 ALA 14 HB3 ALA 14 1.200 1.304 -3.743
247 H LEU 15 H LEU 15 -1.091 2.959 -2.127
248 HA LEU 15 HA LEU 15 -2.913 0.923 -2.826
249 HG LEU 15 HG LEU 15 -1.550 2.273 -0.073
250 HB2 LEU 15 HB2 LEU 15 -3.364 3.347 -1.058
251 HB3 LEU 15 HB3 LEU 15 -4.376 1.902 -1.053
252 HD11 LEU 15 HD11 LEU 15 -4.129 1.726 1.028
253 HD12 LEU 15 HD12 LEU 15 -2.604 1.985 1.876
254 HD13 LEU 15 HD13 LEU 15 -3.069 0.360 1.374
255 HD21 LEU 15 HD21 LEU 15 -2.736 -0.390 -0.955
256 HD22 LEU 15 HD22 LEU 15 -1.257 -0.209 -0.012
257 HD23 LEU 15 HD23 LEU 15 -1.329 0.405 -1.663
258 H TYR 16 H TYR 16 -3.099 4.440 -3.272
259 HA TYR 16 HA TYR 16 -5.716 4.481 -4.454
260 HD1 TYR 16 HD1 TYR 16 -6.859 6.631 -5.708
261 HD2 TYR 16 HD2 TYR 16 -4.602 7.265 -2.106
262 HE1 TYR 16 HE1 TYR 16 -8.811 7.772 -4.686
263 HE2 TYR 16 HE2 TYR 16 -6.554 8.406 -1.084
264 HH TYR 16 HH TYR 16 -9.647 8.204 -2.301
265 HB2 TYR 16 HB2 TYR 16 -3.542 6.344 -3.977
266 HB3 TYR 16 HB3 TYR 16 -4.235 6.591 -5.580
267 H LEU 17 H LEU 17 -2.444 4.344 -5.883
268 HA LEU 17 HA LEU 17 -3.426 4.244 -8.600
269 HG LEU 17 HG LEU 17 -0.934 2.282 -9.437
270 HB2 LEU 17 HB2 LEU 17 -1.179 5.048 -8.219
271 HB3 LEU 17 HB3 LEU 17 -0.736 3.550 -7.399
272 HD11 LEU 17 HD11 LEU 17 -2.563 4.582 -10.224
273 HD12 LEU 17 HD12 LEU 17 -2.581 2.932 -10.846
274 HD13 LEU 17 HD13 LEU 17 -1.424 4.102 -11.482
275 HD21 LEU 17 HD21 LEU 17 1.151 3.628 -9.134
276 HD22 LEU 17 HD22 LEU 17 0.422 4.919 -10.091
277 HD23 LEU 17 HD23 LEU 17 0.761 3.355 -10.832
278 H VAL 18 H VAL 18 -2.052 1.765 -6.453
279 HA VAL 18 HA VAL 18 -2.267 -0.463 -8.126
280 HB VAL 18 HB VAL 18 -2.390 -1.832 -6.155
281 HG11 VAL 18 HG11 VAL 18 -0.301 -1.144 -5.758
282 HG12 VAL 18 HG12 VAL 18 -0.970 0.027 -4.620
283 HG13 VAL 18 HG13 VAL 18 -0.684 0.490 -6.298
284 HG21 VAL 18 HG21 VAL 18 -3.078 -0.981 -3.993
285 HG22 VAL 18 HG22 VAL 18 -4.347 -0.615 -5.161
286 HG23 VAL 18 HG23 VAL 18 -3.232 0.649 -4.642
287 H CYS 19 H CYS 19 -4.759 1.282 -6.400
288 HA CYS 19 HA CYS 19 -6.763 -0.349 -7.875
289 HB2 CYS 19 HB2 CYS 19 -6.745 0.452 -4.972
290 HB3 CYS 19 HB3 CYS 19 -8.259 0.113 -5.808
291 H GLY 20 H GLY 20 -7.076 2.453 -5.684
292 HA2 GLY 20 HA2 GLY 20 -7.268 4.744 -6.626
293 HA3 GLY 20 HA3 GLY 20 -8.047 4.024 -8.034
294 H GLU 21 H GLU 21 -10.244 3.955 -8.036
295 HA GLU 21 HA GLU 21 -11.718 5.132 -5.846
296 HB2 GLU 21 HB2 GLU 21 -12.262 5.067 -8.411
297 HB3 GLU 21 HB3 GLU 21 -13.032 3.529 -8.020
298 HG2 GLU 21 HG2 GLU 21 -14.816 4.596 -7.163
299 HG3 GLU 21 HG3 GLU 21 -13.780 5.491 -6.051
300 H ARG 22 H ARG 22 -10.444 2.056 -6.134
301 HA ARG 22 HA ARG 22 -12.701 0.563 -5.060
302 HE ARG 22 HE ARG 22 -13.815 -2.788 -6.396
303 HB2 ARG 22 HB2 ARG 22 -10.099 -0.042 -6.071
304 HB3 ARG 22 HB3 ARG 22 -10.219 -0.727 -4.451
305 HG2 ARG 22 HG2 ARG 22 -12.190 -1.157 -6.722
306 HG3 ARG 22 HG3 ARG 22 -11.033 -2.342 -6.116
307 HD2 ARG 22 HD2 ARG 22 -12.162 -2.542 -4.035
308 HD3 ARG 22 HD3 ARG 22 -13.102 -1.077 -4.311
309 HH11 ARG 22 HH11 ARG 22 -13.732 -2.899 -2.944
310 HH12 ARG 22 HH12 ARG 22 -15.118 -3.930 -2.815
311 HH21 ARG 22 HH21 ARG 22 -15.642 -4.107 -6.238
312 HH22 ARG 22 HH22 ARG 22 -16.199 -4.610 -4.677
313 H GLY 23 H GLY 23 -10.748 2.900 -3.731
314 HA2 GLY 23 HA2 GLY 23 -10.357 3.565 -1.516
315 HA3 GLY 23 HA3 GLY 23 -11.694 2.501 -1.073
316 H PHE 24 H PHE 24 -9.095 2.890 0.310
317 HA PHE 24 HA PHE 24 -8.208 0.037 0.217
318 HD1 PHE 24 HD1 PHE 24 -7.315 3.076 -1.848
319 HD2 PHE 24 HD2 PHE 24 -5.776 3.210 2.162
320 HE1 PHE 24 HE1 PHE 24 -7.204 5.551 -1.974
321 HE2 PHE 24 HE2 PHE 24 -5.664 5.686 2.037
322 HZ PHE 24 HZ PHE 24 -6.376 6.857 -0.032
323 HB2 PHE 24 HB2 PHE 24 -5.931 1.125 1.001
324 HB3 PHE 24 HB3 PHE 24 -6.336 1.056 -0.713
325 H PHE 25 H PHE 25 -7.035 -0.548 2.324
326 HA PHE 25 HA PHE 25 -8.476 0.759 4.595
327 HD1 PHE 25 HD1 PHE 25 -10.742 -0.749 5.048
328 HD2 PHE 25 HD2 PHE 25 -7.191 -1.815 7.222
329 HE1 PHE 25 HE1 PHE 25 -12.014 -0.645 7.176
330 HE2 PHE 25 HE2 PHE 25 -8.463 -1.710 9.350
331 HZ PHE 25 HZ PHE 25 -10.874 -1.125 9.327
332 HB2 PHE 25 HB2 PHE 25 -8.729 -1.803 3.937
333 HB3 PHE 25 HB3 PHE 25 -7.223 -1.950 4.844
334 H TYR 26 H TYR 26 -6.739 2.372 4.729
335 HA TYR 26 HA TYR 26 -4.007 1.523 5.255
336 HD1 TYR 26 HD1 TYR 26 -2.254 2.145 5.406
337 HD2 TYR 26 HD2 TYR 26 -3.895 5.961 6.507
338 HE1 TYR 26 HE1 TYR 26 -0.052 2.827 6.322
339 HE2 TYR 26 HE2 TYR 26 -1.694 6.645 7.421
340 HH TYR 26 HH TYR 26 1.151 5.052 6.748
341 HB2 TYR 26 HB2 TYR 26 -4.566 3.740 4.271
342 HB3 TYR 26 HB3 TYR 26 -5.334 4.198 5.791
343 H THR 27 H THR 27 -2.953 1.462 7.283
344 HA THR 27 HA THR 27 -4.531 2.024 9.716
345 HB THR 27 HB THR 27 -5.215 -0.201 9.581
346 HG1 THR 27 HG1 THR 27 -2.747 -0.835 10.696
347 HG21 THR 27 HG21 THR 27 -3.028 -1.810 8.951
348 HG22 THR 27 HG22 THR 27 -2.850 -0.416 7.887
349 HG23 THR 27 HG23 THR 27 -4.337 -1.364 7.857
350 H LYS 28 H LYS 28 -3.168 3.013 11.117
351 HA LYS 28 HA LYS 28 -0.274 2.977 10.631
352 HB2 LYS 28 HB2 LYS 28 -2.078 4.721 11.998
353 HB3 LYS 28 HB3 LYS 28 -0.920 4.123 13.179
354 HG2 LYS 28 HG2 LYS 28 -0.108 6.183 12.055
355 HG3 LYS 28 HG3 LYS 28 0.950 4.802 11.774
356 HD2 LYS 28 HD2 LYS 28 0.769 5.515 9.593
357 HD3 LYS 28 HD3 LYS 28 -0.683 4.514 9.649
358 HE2 LYS 28 HE2 LYS 28 -1.950 6.329 9.243
359 HE3 LYS 28 HE3 LYS 28 -1.343 7.082 10.718
360 HZ1 LYS 28 HZ1 LYS 28 0.298 8.190 9.591
361 HZ2 LYS 28 HZ2 LYS 28 -0.939 8.198 8.426
362 HZ3 LYS 28 HZ3 LYS 28 0.336 7.081 8.307
363 HA PRO 29 HA PRO 29 -0.276 0.839 14.865
364 HB2 PRO 29 HB2 PRO 29 -2.678 0.322 16.064
365 HB3 PRO 29 HB3 PRO 29 -1.818 1.862 16.226
366 HG2 PRO 29 HG2 PRO 29 -4.255 1.242 14.629
367 HG3 PRO 29 HG3 PRO 29 -3.740 2.775 15.352
368 HD2 PRO 29 HD2 PRO 29 -3.469 2.033 12.633
369 HD3 PRO 29 HD3 PRO 29 -2.709 3.425 13.430
370 H THR 30 H THR 30 -3.449 -0.612 14.578
371 HA THR 30 HA THR 30 -2.334 -3.243 14.173
372 HB THR 30 HB THR 30 -4.665 -3.977 14.001
373 HG1 THR 30 HG1 THR 30 -6.120 -1.936 14.297
374 HG21 THR 30 HG21 THR 30 -4.003 -1.885 16.065
375 HG22 THR 30 HG22 THR 30 -4.047 -3.638 16.248
376 HG23 THR 30 HG23 THR 30 -5.551 -2.730 16.093
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 -1.455 -5.107 7.999
2 H2 GLY 1 H2 GLY 1 -1.709 -4.365 9.506
3 H3 GLY 1 H3 GLY 1 -1.058 -5.932 9.428
4 HA2 GLY 1 HA2 GLY 1 0.303 -3.439 8.984
5 HA3 GLY 1 HA3 GLY 1 0.933 -4.918 9.771
6 H ILE 2 H ILE 2 -0.488 -2.885 7.061
7 HA ILE 2 HA ILE 2 1.589 -3.811 5.150
8 HB ILE 2 HB ILE 2 -0.723 -3.776 4.351
9 HG12 ILE 2 HG12 ILE 2 1.502 -2.657 3.093
10 HG13 ILE 2 HG13 ILE 2 0.014 -3.162 2.303
11 HG21 ILE 2 HG21 ILE 2 -1.642 -2.064 5.797
12 HG22 ILE 2 HG22 ILE 2 -1.888 -1.570 4.123
13 HG23 ILE 2 HG23 ILE 2 -0.599 -0.836 5.078
14 HD11 ILE 2 HD11 ILE 2 -0.914 -0.879 2.622
15 HD12 ILE 2 HD12 ILE 2 0.570 -0.856 1.669
16 HD13 ILE 2 HD13 ILE 2 0.605 -0.380 3.366
17 HA ABA 3 HA ABA 3 2.839 0.523 5.962
18 H ABA 3 H ABA 3 1.679 -1.710 7.508
19 HB2 ABA 3 HB2 ABA 3 2.655 0.906 8.851
20 HB3 ABA 3 HB3 ABA 3 2.048 1.903 7.545
21 HG1 ABA 3 HG1 ABA 3 0.176 1.090 8.891
22 HG2 ABA 3 HG2 ABA 3 0.702 -0.574 8.634
23 HG3 ABA 3 HG3 ABA 3 0.113 0.385 7.276
24 H GLU 4 H GLU 4 3.544 -0.786 9.186
25 HA GLU 4 HA GLU 4 6.335 -0.216 9.024
26 HB2 GLU 4 HB2 GLU 4 4.879 -2.265 10.720
27 HB3 GLU 4 HB3 GLU 4 6.549 -1.758 10.966
28 HG2 GLU 4 HG2 GLU 4 5.839 0.008 12.162
29 HG3 GLU 4 HG3 GLU 4 4.945 0.595 10.759
30 H GLN 5 H GLN 5 4.453 -3.059 8.099
31 HA GLN 5 HA GLN 5 6.814 -4.700 7.596
32 HB2 GLN 5 HB2 GLN 5 4.547 -5.642 8.147
33 HB3 GLN 5 HB3 GLN 5 3.988 -5.094 6.567
34 HG2 GLN 5 HG2 GLN 5 5.034 -6.789 5.482
35 HG3 GLN 5 HG3 GLN 5 6.494 -6.628 6.459
36 HE21 GLN 5 HE21 GLN 5 6.046 -7.369 8.909
37 HE22 GLN 5 HE22 GLN 5 5.189 -8.826 9.064
38 H CYS 6 H CYS 6 4.756 -2.547 5.727
39 HA CYS 6 HA CYS 6 6.333 -3.192 3.281
40 HB2 CYS 6 HB2 CYS 6 3.561 -2.408 3.798
41 HB3 CYS 6 HB3 CYS 6 4.299 -1.488 2.511
42 H CYS 7 H CYS 7 6.660 -1.169 5.774
43 HA CYS 7 HA CYS 7 7.352 1.177 4.082
44 HB2 CYS 7 HB2 CYS 7 5.848 1.767 5.881
45 HB3 CYS 7 HB3 CYS 7 6.896 0.978 7.051
46 H THR 8 H THR 8 8.619 -1.329 6.086
47 HA THR 8 HA THR 8 11.323 -0.065 6.008
48 HB THR 8 HB THR 8 11.791 -2.141 7.568
49 HG1 THR 8 HG1 THR 8 9.730 -3.054 7.231
50 HG21 THR 8 HG21 THR 8 11.655 -0.687 9.347
51 HG22 THR 8 HG22 THR 8 10.053 -0.108 8.889
52 HG23 THR 8 HG23 THR 8 11.481 0.473 8.031
53 H SER 9 H SER 9 9.388 -2.321 4.407
54 HA SER 9 HA SER 9 11.815 -3.697 3.332
55 HG SER 9 HG SER 9 8.334 -4.205 4.078
56 HB2 SER 9 HB2 SER 9 10.482 -5.689 2.984
57 HB3 SER 9 HB3 SER 9 10.293 -5.189 4.661
58 H ILE 10 H ILE 10 8.684 -4.235 1.921
59 HA ILE 10 HA ILE 10 8.962 -2.109 -0.058
60 HB ILE 10 HB ILE 10 9.844 -4.911 -0.591
61 HG12 ILE 10 HG12 ILE 10 11.048 -3.228 -2.381
62 HG13 ILE 10 HG13 ILE 10 10.759 -2.156 -1.012
63 HG21 ILE 10 HG21 ILE 10 8.515 -3.166 -2.675
64 HG22 ILE 10 HG22 ILE 10 7.864 -4.676 -2.038
65 HG23 ILE 10 HG23 ILE 10 9.351 -4.687 -2.986
66 HD11 ILE 10 HD11 ILE 10 12.551 -4.505 -1.220
67 HD12 ILE 10 HD12 ILE 10 11.670 -4.341 0.299
68 HD13 ILE 10 HD13 ILE 10 12.724 -3.039 -0.256
69 H CYS 11 H CYS 11 7.222 -2.263 -1.709
70 HA CYS 11 HA CYS 11 4.969 -4.069 -1.202
71 HB2 CYS 11 HB2 CYS 11 5.054 -1.606 0.164
72 HB3 CYS 11 HB3 CYS 11 3.905 -1.386 -1.156
73 H SER 12 H SER 12 4.651 -4.665 -3.288
74 HA SER 12 HA SER 12 5.239 -2.866 -5.511
75 HG SER 12 HG SER 12 3.663 -6.414 -5.162
76 HB2 SER 12 HB2 SER 12 3.923 -4.974 -6.638
77 HB3 SER 12 HB3 SER 12 5.649 -4.955 -6.291
78 H LEU 13 H LEU 13 3.754 -2.247 -7.116
79 HA LEU 13 HA LEU 13 1.380 -1.030 -6.170
80 HG LEU 13 HG LEU 13 1.635 -2.992 -9.094
81 HB2 LEU 13 HB2 LEU 13 0.944 -0.507 -8.498
82 HB3 LEU 13 HB3 LEU 13 2.674 -0.342 -8.187
83 HD11 LEU 13 HD11 LEU 13 2.455 -1.668 -11.408
84 HD12 LEU 13 HD12 LEU 13 1.414 -0.507 -10.583
85 HD13 LEU 13 HD13 LEU 13 0.800 -2.110 -10.988
86 HD21 LEU 13 HD21 LEU 13 4.190 -1.463 -9.062
87 HD22 LEU 13 HD22 LEU 13 3.934 -2.546 -10.430
88 HD23 LEU 13 HD23 LEU 13 3.907 -3.182 -8.785
89 H TYR 14 H TYR 14 1.948 -4.300 -6.925
90 HA TYR 14 HA TYR 14 -0.942 -4.762 -7.479
91 HD1 TYR 14 HD1 TYR 14 -1.957 -7.353 -8.483
92 HD2 TYR 14 HD2 TYR 14 1.814 -8.197 -6.600
93 HE1 TYR 14 HE1 TYR 14 -2.807 -9.573 -7.771
94 HE2 TYR 14 HE2 TYR 14 0.963 -10.416 -5.889
95 HH TYR 14 HH TYR 14 -1.880 -11.274 -5.542
96 HB2 TYR 14 HB2 TYR 14 0.178 -6.086 -9.038
97 HB3 TYR 14 HB3 TYR 14 1.585 -6.288 -8.000
98 H GLN 15 H GLN 15 1.684 -5.299 -5.329
99 HA GLN 15 HA GLN 15 0.366 -7.002 -3.429
100 HB2 GLN 15 HB2 GLN 15 2.788 -5.323 -3.654
101 HB3 GLN 15 HB3 GLN 15 2.162 -5.479 -2.015
102 HG2 GLN 15 HG2 GLN 15 2.694 -7.823 -3.850
103 HG3 GLN 15 HG3 GLN 15 3.840 -7.244 -2.641
104 HE21 GLN 15 HE21 GLN 15 3.722 -9.051 -1.203
105 HE22 GLN 15 HE22 GLN 15 2.304 -9.478 -0.374
106 H LEU 16 H LEU 16 0.557 -3.601 -4.100
107 HA LEU 16 HA LEU 16 -0.879 -2.764 -1.691
108 HG LEU 16 HG LEU 16 1.842 -2.171 -2.785
109 HB2 LEU 16 HB2 LEU 16 0.047 -1.314 -4.185
110 HB3 LEU 16 HB3 LEU 16 -0.696 -0.527 -2.795
111 HD11 LEU 16 HD11 LEU 16 3.009 -0.178 -2.431
112 HD12 LEU 16 HD12 LEU 16 1.561 0.697 -1.933
113 HD13 LEU 16 HD13 LEU 16 1.805 0.288 -3.631
114 HD21 LEU 16 HD21 LEU 16 1.788 -1.140 -0.342
115 HD22 LEU 16 HD22 LEU 16 0.958 -2.653 -0.706
116 HD23 LEU 16 HD23 LEU 16 0.048 -1.144 -0.625
117 H GLU 17 H GLU 17 -1.523 -3.704 -4.925
118 HA GLU 17 HA GLU 17 -4.146 -2.507 -5.083
119 HB2 GLU 17 HB2 GLU 17 -2.802 -3.165 -7.072
120 HB3 GLU 17 HB3 GLU 17 -2.954 -4.851 -6.592
121 HG2 GLU 17 HG2 GLU 17 -5.573 -4.041 -6.536
122 HG3 GLU 17 HG3 GLU 17 -4.937 -3.085 -7.876
123 H ASN 18 H ASN 18 -2.743 -5.369 -3.684
124 HA ASN 18 HA ASN 18 -5.298 -6.804 -3.492
125 HB2 ASN 18 HB2 ASN 18 -2.534 -7.429 -3.108
126 HB3 ASN 18 HB3 ASN 18 -3.405 -7.836 -1.631
127 HD21 ASN 18 HD21 ASN 18 -4.701 -9.709 -1.666
128 HD22 ASN 18 HD22 ASN 18 -5.010 -10.625 -3.061
129 H TYR 19 H TYR 19 -4.109 -4.146 -1.909
130 HA TYR 19 HA TYR 19 -5.379 -4.932 0.670
131 HD1 TYR 19 HD1 TYR 19 -4.111 -4.861 2.938
132 HD2 TYR 19 HD2 TYR 19 -1.493 -4.026 -0.365
133 HE1 TYR 19 HE1 TYR 19 -2.451 -6.466 3.848
134 HE2 TYR 19 HE2 TYR 19 0.167 -5.631 0.543
135 HH TYR 19 HH TYR 19 -0.455 -7.390 3.587
136 HB2 TYR 19 HB2 TYR 19 -3.441 -2.736 -0.066
137 HB3 TYR 19 HB3 TYR 19 -4.301 -2.748 1.472
138 H CYS 20 H CYS 20 -6.564 -3.868 -2.063
139 HA CYS 20 HA CYS 20 -7.878 -1.412 -1.075
140 HB2 CYS 20 HB2 CYS 20 -8.734 -2.774 -3.602
141 HB3 CYS 20 HB3 CYS 20 -8.616 -1.054 -3.243
142 H ASN 21 H ASN 21 -10.302 -1.292 -1.149
143 HA ASN 21 HA ASN 21 -11.472 -3.384 0.419
144 HB2 ASN 21 HB2 ASN 21 -12.365 -1.136 0.551
145 HB3 ASN 21 HB3 ASN 21 -12.736 -1.135 -1.174
146 HD21 ASN 21 HD21 ASN 21 -13.456 -3.189 1.717
147 HD22 ASN 21 HD22 ASN 21 -15.074 -3.471 1.288
148 HA PHE 1 HA PHE 1 7.463 -1.243 -12.391
149 HD1 PHE 1 HD1 PHE 1 8.535 1.167 -11.995
150 HD2 PHE 1 HD2 PHE 1 4.258 0.996 -12.388
151 HE1 PHE 1 HE1 PHE 1 8.629 2.882 -13.787
152 HE2 PHE 1 HE2 PHE 1 4.353 2.710 -14.180
153 HZ PHE 1 HZ PHE 1 6.538 3.652 -14.879
154 H1 PHE 1 H1 PHE 1 6.556 -2.492 -9.854
155 H2 PHE 1 H2 PHE 1 7.348 -3.288 -11.129
156 H3 PHE 1 H3 PHE 1 5.788 -2.654 -11.357
157 HB2 PHE 1 HB2 PHE 1 5.327 -0.462 -10.912
158 HB3 PHE 1 HB3 PHE 1 6.618 0.370 -10.046
159 H VAL 2 H VAL 2 7.780 -1.249 -8.823
160 HA VAL 2 HA VAL 2 10.722 -1.098 -9.175
161 HB VAL 2 HB VAL 2 10.889 0.737 -7.528
162 HG11 VAL 2 HG11 VAL 2 10.588 1.077 -10.085
163 HG12 VAL 2 HG12 VAL 2 10.380 2.477 -9.033
164 HG13 VAL 2 HG13 VAL 2 8.968 1.634 -9.670
165 HG21 VAL 2 HG21 VAL 2 7.881 0.496 -7.620
166 HG22 VAL 2 HG22 VAL 2 8.659 2.003 -7.138
167 HG23 VAL 2 HG23 VAL 2 8.936 0.531 -6.207
168 H ASN 3 H ASN 3 11.694 -1.159 -6.773
169 HA ASN 3 HA ASN 3 10.046 -3.027 -5.130
170 HB2 ASN 3 HB2 ASN 3 12.893 -3.366 -6.085
171 HB3 ASN 3 HB3 ASN 3 12.280 -4.211 -4.666
172 HD21 ASN 3 HD21 ASN 3 12.930 -6.020 -6.465
173 HD22 ASN 3 HD22 ASN 3 11.617 -6.567 -7.391
174 H GLN 4 H GLN 4 10.054 -0.462 -4.400
175 HA GLN 4 HA GLN 4 12.251 -0.177 -2.404
176 HB2 GLN 4 HB2 GLN 4 11.470 1.618 -4.291
177 HB3 GLN 4 HB3 GLN 4 10.462 2.121 -2.934
178 HG2 GLN 4 HG2 GLN 4 12.365 2.436 -1.518
179 HG3 GLN 4 HG3 GLN 4 13.435 1.640 -2.672
180 HE21 GLN 4 HE21 GLN 4 14.592 3.878 -2.375
181 HE22 GLN 4 HE22 GLN 4 14.114 5.117 -3.432
182 H HIS 5 H HIS 5 11.411 1.199 -0.432
183 HA HIS 5 HA HIS 5 9.261 -0.382 0.769
184 HD2 HIS 5 HD2 HIS 5 12.256 -1.330 2.638
185 HE1 HIS 5 HE1 HIS 5 14.860 1.450 0.804
186 HE2 HIS 5 HE2 HIS 5 14.702 -0.852 1.892
187 HB2 HIS 5 HB2 HIS 5 10.313 2.008 2.191
188 HB3 HIS 5 HB3 HIS 5 10.041 0.373 2.789
189 H LEU 6 H LEU 6 7.829 1.235 2.310
190 HA LEU 6 HA LEU 6 6.744 3.414 0.627
191 HG LEU 6 HG LEU 6 3.797 3.303 0.336
192 HB2 LEU 6 HB2 LEU 6 5.544 0.899 0.843
193 HB3 LEU 6 HB3 LEU 6 4.656 1.874 1.995
194 HD11 LEU 6 HD11 LEU 6 6.238 2.441 -1.212
195 HD12 LEU 6 HD12 LEU 6 5.691 4.073 -0.829
196 HD13 LEU 6 HD13 LEU 6 4.851 3.128 -2.059
197 HD21 LEU 6 HD21 LEU 6 3.530 0.582 -0.020
198 HD22 LEU 6 HD22 LEU 6 4.022 1.134 -1.621
199 HD23 LEU 6 HD23 LEU 6 2.590 1.820 -0.854
200 H CYS 7 H CYS 7 5.046 4.686 1.917
201 HA CYS 7 HA CYS 7 4.541 4.647 4.599
202 HB2 CYS 7 HB2 CYS 7 7.383 4.984 4.233
203 HB3 CYS 7 HB3 CYS 7 6.713 6.429 4.974
204 H GLY 8 H GLY 8 3.283 6.401 5.074
205 HA2 GLY 8 HA2 GLY 8 2.323 8.536 4.891
206 HA3 GLY 8 HA3 GLY 8 3.793 9.059 4.073
207 H SER 9 H SER 9 2.696 10.213 2.451
208 HA SER 9 HA SER 9 0.487 9.377 0.939
209 HG SER 9 HG SER 9 0.258 11.611 1.021
210 HB2 SER 9 HB2 SER 9 2.568 11.379 0.693
211 HB3 SER 9 HB3 SER 9 2.160 10.705 -0.883
212 H ASP 10 H ASP 10 3.766 8.262 0.817
213 HA ASP 10 HA ASP 10 3.749 7.149 -1.818
214 HB2 ASP 10 HB2 ASP 10 5.168 5.950 0.567
215 HB3 ASP 10 HB3 ASP 10 5.658 5.893 -1.127
216 H LEU 11 H LEU 11 2.578 5.958 1.293
217 HA LEU 11 HA LEU 11 1.886 3.329 0.244
218 HG LEU 11 HG LEU 11 -0.018 2.271 2.315
219 HB2 LEU 11 HB2 LEU 11 2.371 4.079 2.719
220 HB3 LEU 11 HB3 LEU 11 0.663 4.513 2.723
221 HD11 LEU 11 HD11 LEU 11 1.399 1.493 0.598
222 HD12 LEU 11 HD12 LEU 11 1.854 0.496 1.979
223 HD13 LEU 11 HD13 LEU 11 2.858 1.867 1.514
224 HD21 LEU 11 HD21 LEU 11 0.455 1.660 4.427
225 HD22 LEU 11 HD22 LEU 11 1.689 2.920 4.482
226 HD23 LEU 11 HD23 LEU 11 2.118 1.286 3.974
227 H VAL 12 H VAL 12 0.294 6.442 0.448
228 HA VAL 12 HA VAL 12 -2.296 5.167 -0.249
229 HB VAL 12 HB VAL 12 -3.345 7.086 0.464
230 HG11 VAL 12 HG11 VAL 12 -2.389 7.735 2.476
231 HG12 VAL 12 HG12 VAL 12 -0.762 7.805 1.797
232 HG13 VAL 12 HG13 VAL 12 -1.506 6.245 2.144
233 HG21 VAL 12 HG21 VAL 12 -2.444 9.357 0.232
234 HG22 VAL 12 HG22 VAL 12 -2.341 8.514 -1.315
235 HG23 VAL 12 HG23 VAL 12 -0.898 8.708 -0.319
236 H GLU 13 H GLU 13 -0.008 7.570 -1.555
237 HA GLU 13 HA GLU 13 -1.290 8.119 -3.985
238 HB2 GLU 13 HB2 GLU 13 0.817 8.838 -4.800
239 HB3 GLU 13 HB3 GLU 13 0.926 9.064 -3.055
240 HG2 GLU 13 HG2 GLU 13 2.031 6.826 -2.880
241 HG3 GLU 13 HG3 GLU 13 2.026 6.726 -4.641
242 H ALA 14 H ALA 14 0.561 5.268 -3.016
243 HA ALA 14 HA ALA 14 0.420 4.086 -5.698
244 HB1 ALA 14 HB1 ALA 14 2.317 3.485 -4.280
245 HB2 ALA 14 HB2 ALA 14 1.321 2.051 -4.535
246 HB3 ALA 14 HB3 ALA 14 1.229 2.929 -3.008
247 H LEU 15 H LEU 15 -1.081 3.562 -2.507
248 HA LEU 15 HA LEU 15 -2.848 1.491 -3.270
249 HG LEU 15 HG LEU 15 -1.401 1.752 -0.799
250 HB2 LEU 15 HB2 LEU 15 -2.880 3.632 -1.166
251 HB3 LEU 15 HB3 LEU 15 -4.286 2.581 -1.345
252 HD11 LEU 15 HD11 LEU 15 -2.500 0.740 1.251
253 HD12 LEU 15 HD12 LEU 15 -3.943 1.659 0.821
254 HD13 LEU 15 HD13 LEU 15 -2.440 2.502 1.199
255 HD21 LEU 15 HD21 LEU 15 -2.343 0.064 -2.277
256 HD22 LEU 15 HD22 LEU 15 -3.829 0.001 -1.333
257 HD23 LEU 15 HD23 LEU 15 -2.318 -0.590 -0.642
258 H TYR 16 H TYR 16 -3.353 5.025 -3.211
259 HA TYR 16 HA TYR 16 -5.991 5.051 -4.232
260 HD1 TYR 16 HD1 TYR 16 -7.310 6.252 -5.168
261 HD2 TYR 16 HD2 TYR 16 -4.980 8.844 -2.655
262 HE1 TYR 16 HE1 TYR 16 -9.386 7.378 -4.403
263 HE2 TYR 16 HE2 TYR 16 -7.053 9.971 -1.891
264 HH TYR 16 HH TYR 16 -9.764 8.993 -1.833
265 HB2 TYR 16 HB2 TYR 16 -3.956 6.961 -3.716
266 HB3 TYR 16 HB3 TYR 16 -4.458 7.203 -5.384
267 H LEU 17 H LEU 17 -2.912 4.545 -5.871
268 HA LEU 17 HA LEU 17 -4.249 4.704 -8.500
269 HG LEU 17 HG LEU 17 -1.706 3.537 -10.145
270 HB2 LEU 17 HB2 LEU 17 -1.998 5.749 -8.114
271 HB3 LEU 17 HB3 LEU 17 -1.342 4.129 -7.894
272 HD11 LEU 17 HD11 LEU 17 -3.123 4.962 -11.670
273 HD12 LEU 17 HD12 LEU 17 -3.599 5.908 -10.260
274 HD13 LEU 17 HD13 LEU 17 -4.031 4.201 -10.363
275 HD21 LEU 17 HD21 LEU 17 -1.148 6.518 -10.237
276 HD22 LEU 17 HD22 LEU 17 -0.671 5.322 -11.442
277 HD23 LEU 17 HD23 LEU 17 0.054 5.292 -9.835
278 H VAL 18 H VAL 18 -2.923 2.263 -6.337
279 HA VAL 18 HA VAL 18 -2.685 0.162 -8.247
280 HB VAL 18 HB VAL 18 -2.731 -1.394 -6.433
281 HG11 VAL 18 HG11 VAL 18 -1.635 0.623 -4.722
282 HG12 VAL 18 HG12 VAL 18 -1.187 0.962 -6.394
283 HG13 VAL 18 HG13 VAL 18 -0.795 -0.599 -5.674
284 HG21 VAL 18 HG21 VAL 18 -4.849 -0.456 -5.412
285 HG22 VAL 18 HG22 VAL 18 -3.850 0.787 -4.667
286 HG23 VAL 18 HG23 VAL 18 -3.604 -0.901 -4.252
287 H CYS 19 H CYS 19 -5.476 1.344 -6.427
288 HA CYS 19 HA CYS 19 -7.132 -0.403 -8.184
289 HB2 CYS 19 HB2 CYS 19 -7.544 0.283 -5.269
290 HB3 CYS 19 HB3 CYS 19 -8.753 -0.516 -6.271
291 H GLY 20 H GLY 20 -7.043 2.659 -6.343
292 HA2 GLY 20 HA2 GLY 20 -7.815 4.732 -7.350
293 HA3 GLY 20 HA3 GLY 20 -8.867 3.791 -8.404
294 H GLU 21 H GLU 21 -10.918 4.377 -7.897
295 HA GLU 21 HA GLU 21 -11.787 5.373 -5.396
296 HB2 GLU 21 HB2 GLU 21 -13.886 5.469 -6.366
297 HB3 GLU 21 HB3 GLU 21 -12.879 5.381 -7.803
298 HG2 GLU 21 HG2 GLU 21 -13.198 2.874 -7.771
299 HG3 GLU 21 HG3 GLU 21 -14.381 3.102 -6.482
300 H ARG 22 H ARG 22 -10.989 2.162 -6.225
301 HA ARG 22 HA ARG 22 -12.884 0.643 -4.791
302 HE ARG 22 HE ARG 22 -12.236 -3.256 -7.128
303 HB2 ARG 22 HB2 ARG 22 -10.515 0.086 -6.084
304 HB3 ARG 22 HB3 ARG 22 -10.110 -0.253 -4.400
305 HG2 ARG 22 HG2 ARG 22 -11.013 -2.273 -5.444
306 HG3 ARG 22 HG3 ARG 22 -12.143 -1.680 -4.227
307 HD2 ARG 22 HD2 ARG 22 -13.705 -1.034 -5.788
308 HD3 ARG 22 HD3 ARG 22 -12.488 -0.654 -7.005
309 HH11 ARG 22 HH11 ARG 22 -14.653 -3.387 -5.171
310 HH12 ARG 22 HH12 ARG 22 -15.919 -3.788 -6.284
311 HH21 ARG 22 HH21 ARG 22 -14.068 -2.977 -9.100
312 HH22 ARG 22 HH22 ARG 22 -15.589 -3.553 -8.504
313 H GLY 23 H GLY 23 -10.548 2.894 -3.627
314 HA2 GLY 23 HA2 GLY 23 -10.248 3.709 -1.438
315 HA3 GLY 23 HA3 GLY 23 -11.553 2.643 -0.918
316 H PHE 24 H PHE 24 -8.921 3.110 0.360
317 HA PHE 24 HA PHE 24 -7.878 0.310 0.209
318 HD1 PHE 24 HD1 PHE 24 -6.837 3.444 -1.706
319 HD2 PHE 24 HD2 PHE 24 -6.148 3.622 2.532
320 HE1 PHE 24 HE1 PHE 24 -6.925 5.921 -1.793
321 HE2 PHE 24 HE2 PHE 24 -6.238 6.100 2.446
322 HZ PHE 24 HZ PHE 24 -6.615 7.252 0.272
323 HB2 PHE 24 HB2 PHE 24 -5.784 1.560 1.287
324 HB3 PHE 24 HB3 PHE 24 -6.011 1.492 -0.459
325 H PHE 25 H PHE 25 -6.940 -0.455 2.314
326 HA PHE 25 HA PHE 25 -8.752 0.294 4.509
327 HD1 PHE 25 HD1 PHE 25 -10.229 -1.929 3.998
328 HD2 PHE 25 HD2 PHE 25 -7.444 -2.029 7.269
329 HE1 PHE 25 HE1 PHE 25 -12.053 -2.626 5.530
330 HE2 PHE 25 HE2 PHE 25 -9.266 -2.725 8.801
331 HZ PHE 25 HZ PHE 25 -11.571 -3.025 7.932
332 HB2 PHE 25 HB2 PHE 25 -7.654 -2.102 3.700
333 HB3 PHE 25 HB3 PHE 25 -6.655 -1.674 5.089
334 H TYR 26 H TYR 26 -5.264 -0.334 4.394
335 HA TYR 26 HA TYR 26 -3.483 0.721 5.496
336 HD1 TYR 26 HD1 TYR 26 -5.094 3.946 7.519
337 HD2 TYR 26 HD2 TYR 26 -1.783 3.116 4.908
338 HE1 TYR 26 HE1 TYR 26 -3.606 5.297 8.975
339 HE2 TYR 26 HE2 TYR 26 -0.296 4.467 6.363
340 HH TYR 26 HH TYR 26 -1.510 6.501 8.849
341 HB2 TYR 26 HB2 TYR 26 -4.075 2.671 4.211
342 HB3 TYR 26 HB3 TYR 26 -5.439 3.016 5.269
343 H THR 27 H THR 27 -3.494 -0.417 7.450
344 HA THR 27 HA THR 27 -5.077 0.828 9.665
345 HB THR 27 HB THR 27 -5.931 -1.262 9.917
346 HG1 THR 27 HG1 THR 27 -4.036 -2.734 10.757
347 HG21 THR 27 HG21 THR 27 -3.572 -2.469 8.450
348 HG22 THR 27 HG22 THR 27 -5.007 -1.843 7.637
349 HG23 THR 27 HG23 THR 27 -5.146 -3.212 8.739
350 H LYS 28 H LYS 28 -3.961 1.102 11.683
351 HA LYS 28 HA LYS 28 -1.017 1.245 11.337
352 HB2 LYS 28 HB2 LYS 28 -2.937 2.888 12.664
353 HB3 LYS 28 HB3 LYS 28 -1.833 2.252 13.876
354 HG2 LYS 28 HG2 LYS 28 -0.170 3.595 13.197
355 HG3 LYS 28 HG3 LYS 28 -0.308 2.992 11.552
356 HD2 LYS 28 HD2 LYS 28 -0.618 5.512 11.833
357 HD3 LYS 28 HD3 LYS 28 -1.911 4.684 10.966
358 HE2 LYS 28 HE2 LYS 28 -2.716 6.313 12.720
359 HE3 LYS 28 HE3 LYS 28 -3.316 4.672 12.941
360 HZ1 LYS 28 HZ1 LYS 28 -2.505 5.624 15.015
361 HZ2 LYS 28 HZ2 LYS 28 -0.966 5.846 14.328
362 HZ3 LYS 28 HZ3 LYS 28 -1.578 4.278 14.560
363 HA PRO 29 HA PRO 29 -1.231 -1.165 15.382
364 HB2 PRO 29 HB2 PRO 29 -3.652 -1.614 16.572
365 HB3 PRO 29 HB3 PRO 29 -2.710 -0.127 16.793
366 HG2 PRO 29 HG2 PRO 29 -5.192 -0.539 15.206
367 HG3 PRO 29 HG3 PRO 29 -4.574 0.934 15.973
368 HD2 PRO 29 HD2 PRO 29 -4.376 0.245 13.224
369 HD3 PRO 29 HD3 PRO 29 -3.570 1.593 14.047
370 H THR 30 H THR 30 -1.458 -3.466 15.878
371 HA THR 30 HA THR 30 -2.248 -5.069 13.588
372 HB THR 30 HB THR 30 -1.486 -6.966 14.887
373 HG1 THR 30 HG1 THR 30 -1.470 -5.163 17.078
374 HG21 THR 30 HG21 THR 30 0.763 -6.181 15.558
375 HG22 THR 30 HG22 THR 30 0.196 -4.514 15.473
376 HG23 THR 30 HG23 THR 30 0.273 -5.495 14.009
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 0.143 -3.445 11.101
2 H2 GLY 1 H2 GLY 1 1.653 -3.419 10.324
3 H3 GLY 1 H3 GLY 1 1.291 -4.648 11.439
4 HA2 GLY 1 HA2 GLY 1 0.747 -5.773 9.550
5 HA3 GLY 1 HA3 GLY 1 -0.823 -4.931 9.717
6 H ILE 2 H ILE 2 -0.627 -3.696 7.560
7 HA ILE 2 HA ILE 2 0.999 -4.914 5.530
8 HB ILE 2 HB ILE 2 -1.170 -3.946 4.974
9 HG12 ILE 2 HG12 ILE 2 1.345 -3.228 3.661
10 HG13 ILE 2 HG13 ILE 2 -0.160 -3.798 2.951
11 HG21 ILE 2 HG21 ILE 2 0.043 -1.231 5.546
12 HG22 ILE 2 HG22 ILE 2 -0.950 -2.098 6.716
13 HG23 ILE 2 HG23 ILE 2 -1.639 -1.602 5.172
14 HD11 ILE 2 HD11 ILE 2 -1.078 -1.474 3.145
15 HD12 ILE 2 HD12 ILE 2 0.327 -1.575 2.084
16 HD13 ILE 2 HD13 ILE 2 0.502 -0.938 3.720
17 HA ABA 3 HA ABA 3 3.341 -0.695 5.649
18 H ABA 3 H ABA 3 1.113 -1.708 7.024
19 HB2 ABA 3 HB2 ABA 3 2.092 -0.148 8.315
20 HB3 ABA 3 HB3 ABA 3 3.608 0.634 7.888
21 HG1 ABA 3 HG1 ABA 3 1.279 0.680 5.983
22 HG2 ABA 3 HG2 ABA 3 2.656 1.779 6.065
23 HG3 ABA 3 HG3 ABA 3 1.391 1.856 7.292
24 H GLU 4 H GLU 4 3.273 -2.433 8.756
25 HA GLU 4 HA GLU 4 6.015 -2.316 9.326
26 HB2 GLU 4 HB2 GLU 4 4.973 -3.335 11.065
27 HB3 GLU 4 HB3 GLU 4 3.749 -4.041 10.021
28 HG2 GLU 4 HG2 GLU 4 5.174 -5.857 9.412
29 HG3 GLU 4 HG3 GLU 4 6.576 -5.085 10.155
30 H GLN 5 H GLN 5 4.321 -4.207 6.914
31 HA GLN 5 HA GLN 5 6.869 -5.614 6.249
32 HB2 GLN 5 HB2 GLN 5 4.422 -6.709 6.543
33 HB3 GLN 5 HB3 GLN 5 4.335 -6.282 4.834
34 HG2 GLN 5 HG2 GLN 5 6.840 -7.595 5.762
35 HG3 GLN 5 HG3 GLN 5 5.396 -8.604 5.675
36 HE21 GLN 5 HE21 GLN 5 4.078 -7.621 3.430
37 HE22 GLN 5 HE22 GLN 5 5.054 -7.798 2.053
38 H CYS 6 H CYS 6 4.510 -3.326 5.101
39 HA CYS 6 HA CYS 6 5.867 -3.181 2.463
40 HB2 CYS 6 HB2 CYS 6 3.145 -2.445 3.510
41 HB3 CYS 6 HB3 CYS 6 3.738 -1.731 2.029
42 H CYS 7 H CYS 7 6.391 -1.902 5.331
43 HA CYS 7 HA CYS 7 6.912 0.841 4.271
44 HB2 CYS 7 HB2 CYS 7 5.149 0.749 6.075
45 HB3 CYS 7 HB3 CYS 7 6.380 0.137 7.168
46 H THR 8 H THR 8 8.094 -1.926 6.126
47 HA THR 8 HA THR 8 10.694 -0.511 6.481
48 HB THR 8 HB THR 8 10.967 -3.057 7.565
49 HG1 THR 8 HG1 THR 8 8.695 -3.310 7.238
50 HG21 THR 8 HG21 THR 8 9.994 -1.321 9.584
51 HG22 THR 8 HG22 THR 8 10.828 -0.312 8.402
52 HG23 THR 8 HG23 THR 8 11.675 -1.655 9.169
53 H SER 9 H SER 9 9.164 -2.584 4.299
54 HA SER 9 HA SER 9 11.827 -3.436 3.251
55 HG SER 9 HG SER 9 8.433 -4.907 3.657
56 HB2 SER 9 HB2 SER 9 10.939 -5.562 2.590
57 HB3 SER 9 HB3 SER 9 10.475 -5.326 4.272
58 H ILE 10 H ILE 10 9.065 -4.396 1.436
59 HA ILE 10 HA ILE 10 8.993 -1.922 -0.158
60 HB ILE 10 HB ILE 10 10.538 -4.326 -0.917
61 HG12 ILE 10 HG12 ILE 10 11.341 -2.425 -2.592
62 HG13 ILE 10 HG13 ILE 10 10.512 -1.391 -1.432
63 HG21 ILE 10 HG21 ILE 10 9.987 -3.820 -3.404
64 HG22 ILE 10 HG22 ILE 10 8.491 -3.126 -2.777
65 HG23 ILE 10 HG23 ILE 10 8.861 -4.827 -2.494
66 HD11 ILE 10 HD11 ILE 10 12.365 -1.493 -0.153
67 HD12 ILE 10 HD12 ILE 10 13.066 -2.750 -1.173
68 HD13 ILE 10 HD13 ILE 10 11.975 -3.187 0.141
69 H CYS 11 H CYS 11 7.002 -1.697 -1.145
70 HA CYS 11 HA CYS 11 5.227 -4.108 -1.213
71 HB2 CYS 11 HB2 CYS 11 4.771 -1.945 0.364
72 HB3 CYS 11 HB3 CYS 11 3.887 -1.501 -1.099
73 H SER 12 H SER 12 4.746 -4.687 -3.229
74 HA SER 12 HA SER 12 5.356 -2.937 -5.483
75 HG SER 12 HG SER 12 5.384 -6.545 -4.821
76 HB2 SER 12 HB2 SER 12 4.018 -5.068 -6.555
77 HB3 SER 12 HB3 SER 12 5.748 -5.041 -6.228
78 H LEU 13 H LEU 13 3.844 -2.368 -7.124
79 HA LEU 13 HA LEU 13 1.489 -1.101 -6.189
80 HG LEU 13 HG LEU 13 2.057 -3.255 -8.875
81 HB2 LEU 13 HB2 LEU 13 0.971 -0.792 -8.586
82 HB3 LEU 13 HB3 LEU 13 2.667 -0.435 -8.241
83 HD11 LEU 13 HD11 LEU 13 0.808 -1.434 -10.469
84 HD12 LEU 13 HD12 LEU 13 1.385 -3.003 -11.032
85 HD13 LEU 13 HD13 LEU 13 2.372 -1.562 -11.272
86 HD21 LEU 13 HD21 LEU 13 4.111 -2.234 -10.487
87 HD22 LEU 13 HD22 LEU 13 4.305 -3.129 -8.980
88 HD23 LEU 13 HD23 LEU 13 4.263 -1.366 -8.960
89 H TYR 14 H TYR 14 2.007 -4.425 -6.765
90 HA TYR 14 HA TYR 14 -0.889 -4.842 -7.327
91 HD1 TYR 14 HD1 TYR 14 0.438 -8.061 -5.602
92 HD2 TYR 14 HD2 TYR 14 -1.398 -7.436 -9.437
93 HE1 TYR 14 HE1 TYR 14 -1.035 -10.020 -5.215
94 HE2 TYR 14 HE2 TYR 14 -2.872 -9.395 -9.050
95 HH TYR 14 HH TYR 14 -2.362 -11.718 -7.067
96 HB2 TYR 14 HB2 TYR 14 0.477 -6.152 -8.823
97 HB3 TYR 14 HB3 TYR 14 1.523 -6.675 -7.503
98 H GLN 15 H GLN 15 1.711 -5.401 -5.144
99 HA GLN 15 HA GLN 15 0.276 -6.956 -3.191
100 HB2 GLN 15 HB2 GLN 15 2.828 -5.513 -3.489
101 HB3 GLN 15 HB3 GLN 15 2.198 -5.516 -1.842
102 HG2 GLN 15 HG2 GLN 15 2.109 -8.100 -3.304
103 HG3 GLN 15 HG3 GLN 15 3.705 -7.521 -2.826
104 HE21 GLN 15 HE21 GLN 15 3.412 -9.615 -1.387
105 HE22 GLN 15 HE22 GLN 15 2.724 -9.367 0.145
106 H LEU 16 H LEU 16 0.636 -3.612 -4.049
107 HA LEU 16 HA LEU 16 -0.705 -2.581 -1.651
108 HG LEU 16 HG LEU 16 1.987 -2.179 -2.785
109 HB2 LEU 16 HB2 LEU 16 0.202 -1.267 -4.231
110 HB3 LEU 16 HB3 LEU 16 -0.466 -0.407 -2.845
111 HD11 LEU 16 HD11 LEU 16 2.076 0.182 -3.895
112 HD12 LEU 16 HD12 LEU 16 3.309 -0.264 -2.716
113 HD13 LEU 16 HD13 LEU 16 1.962 0.768 -2.235
114 HD21 LEU 16 HD21 LEU 16 0.875 -2.311 -0.686
115 HD22 LEU 16 HD22 LEU 16 0.529 -0.583 -0.683
116 HD23 LEU 16 HD23 LEU 16 2.184 -1.150 -0.475
117 H GLU 17 H GLU 17 -1.431 -3.666 -4.827
118 HA GLU 17 HA GLU 17 -4.028 -2.398 -5.017
119 HB2 GLU 17 HB2 GLU 17 -2.715 -3.221 -6.992
120 HB3 GLU 17 HB3 GLU 17 -2.947 -4.868 -6.417
121 HG2 GLU 17 HG2 GLU 17 -5.490 -3.521 -6.466
122 HG3 GLU 17 HG3 GLU 17 -4.709 -3.348 -8.038
123 H ASN 18 H ASN 18 -2.645 -5.185 -3.494
124 HA ASN 18 HA ASN 18 -5.194 -6.608 -3.187
125 HB2 ASN 18 HB2 ASN 18 -2.946 -7.752 -3.331
126 HB3 ASN 18 HB3 ASN 18 -2.591 -7.114 -1.724
127 HD21 ASN 18 HD21 ASN 18 -4.647 -9.398 -3.504
128 HD22 ASN 18 HD22 ASN 18 -5.224 -10.216 -2.133
129 H TYR 19 H TYR 19 -3.926 -3.899 -1.732
130 HA TYR 19 HA TYR 19 -5.181 -4.583 0.882
131 HD1 TYR 19 HD1 TYR 19 -3.881 -4.725 2.987
132 HD2 TYR 19 HD2 TYR 19 -1.222 -3.665 -0.217
133 HE1 TYR 19 HE1 TYR 19 -2.238 -6.395 3.799
134 HE2 TYR 19 HE2 TYR 19 0.424 -5.336 0.595
135 HH TYR 19 HH TYR 19 0.166 -6.821 3.661
136 HB2 TYR 19 HB2 TYR 19 -3.199 -2.434 0.101
137 HB3 TYR 19 HB3 TYR 19 -4.007 -2.479 1.669
138 H CYS 20 H CYS 20 -6.234 -3.375 -1.932
139 HA CYS 20 HA CYS 20 -7.432 -0.875 -1.038
140 HB2 CYS 20 HB2 CYS 20 -8.623 -2.474 -3.279
141 HB3 CYS 20 HB3 CYS 20 -8.418 -0.732 -3.136
142 H ASN 21 H ASN 21 -9.967 -0.723 -1.176
143 HA ASN 21 HA ASN 21 -11.138 -2.000 0.982
144 HB2 ASN 21 HB2 ASN 21 -12.258 -0.183 -0.230
145 HB3 ASN 21 HB3 ASN 21 -12.507 -1.242 -1.619
146 HD21 ASN 21 HD21 ASN 21 -14.018 -3.088 -1.332
147 HD22 ASN 21 HD22 ASN 21 -15.191 -3.046 -0.105
148 HA PHE 1 HA PHE 1 9.635 0.614 -12.868
149 HD1 PHE 1 HD1 PHE 1 7.624 1.398 -14.234
150 HD2 PHE 1 HD2 PHE 1 7.636 -2.845 -13.553
151 HE1 PHE 1 HE1 PHE 1 7.255 1.009 -16.656
152 HE2 PHE 1 HE2 PHE 1 7.267 -3.235 -15.976
153 HZ PHE 1 HZ PHE 1 7.076 -1.308 -17.527
154 H1 PHE 1 H1 PHE 1 10.312 -1.452 -10.927
155 H2 PHE 1 H2 PHE 1 11.140 -0.961 -12.327
156 H3 PHE 1 H3 PHE 1 9.788 -1.982 -12.451
157 HB2 PHE 1 HB2 PHE 1 7.705 -1.377 -11.721
158 HB3 PHE 1 HB3 PHE 1 7.195 0.300 -11.915
159 H VAL 2 H VAL 2 9.138 -0.787 -9.609
160 HA VAL 2 HA VAL 2 9.688 1.937 -8.512
161 HB VAL 2 HB VAL 2 8.065 0.900 -6.596
162 HG11 VAL 2 HG11 VAL 2 6.618 2.597 -7.202
163 HG12 VAL 2 HG12 VAL 2 6.725 2.218 -8.921
164 HG13 VAL 2 HG13 VAL 2 8.040 3.081 -8.124
165 HG21 VAL 2 HG21 VAL 2 7.494 -1.105 -7.837
166 HG22 VAL 2 HG22 VAL 2 7.089 -0.156 -9.267
167 HG23 VAL 2 HG23 VAL 2 6.081 -0.050 -7.824
168 H ASN 3 H ASN 3 8.892 -0.823 -6.518
169 HA ASN 3 HA ASN 3 10.190 -2.140 -5.110
170 HB2 ASN 3 HB2 ASN 3 12.670 -1.160 -6.465
171 HB3 ASN 3 HB3 ASN 3 12.291 -2.756 -5.834
172 HD21 ASN 3 HD21 ASN 3 10.344 -3.860 -7.064
173 HD22 ASN 3 HD22 ASN 3 10.349 -3.683 -8.752
174 H GLN 4 H GLN 4 9.457 -0.365 -3.636
175 HA GLN 4 HA GLN 4 11.795 0.888 -2.368
176 HB2 GLN 4 HB2 GLN 4 11.278 2.591 -3.966
177 HB3 GLN 4 HB3 GLN 4 9.546 2.439 -3.663
178 HG2 GLN 4 HG2 GLN 4 9.796 3.325 -1.422
179 HG3 GLN 4 HG3 GLN 4 11.553 3.320 -1.569
180 HE21 GLN 4 HE21 GLN 4 11.652 5.668 -1.260
181 HE22 GLN 4 HE22 GLN 4 11.156 6.734 -2.485
182 H HIS 5 H HIS 5 11.089 2.024 -0.305
183 HA HIS 5 HA HIS 5 9.340 0.315 1.210
184 HD2 HIS 5 HD2 HIS 5 11.954 -0.021 3.478
185 HE1 HIS 5 HE1 HIS 5 14.681 1.901 0.880
186 HE2 HIS 5 HE2 HIS 5 14.413 0.066 2.632
187 HB2 HIS 5 HB2 HIS 5 10.182 3.108 2.008
188 HB3 HIS 5 HB3 HIS 5 9.825 1.738 3.061
189 H LEU 6 H LEU 6 7.583 1.625 2.644
190 HA LEU 6 HA LEU 6 6.040 3.522 1.000
191 HG LEU 6 HG LEU 6 3.445 1.539 -0.332
192 HB2 LEU 6 HB2 LEU 6 5.516 0.732 0.989
193 HB3 LEU 6 HB3 LEU 6 4.217 1.498 1.882
194 HD11 LEU 6 HD11 LEU 6 3.280 3.789 -0.863
195 HD12 LEU 6 HD12 LEU 6 4.936 4.138 -0.369
196 HD13 LEU 6 HD13 LEU 6 3.697 3.834 0.845
197 HD21 LEU 6 HD21 LEU 6 4.758 1.472 -2.172
198 HD22 LEU 6 HD22 LEU 6 6.029 1.071 -1.017
199 HD23 LEU 6 HD23 LEU 6 5.833 2.734 -1.572
200 H CYS 7 H CYS 7 4.482 4.656 2.224
201 HA CYS 7 HA CYS 7 3.445 4.045 4.691
202 HB2 CYS 7 HB2 CYS 7 6.285 4.602 4.873
203 HB3 CYS 7 HB3 CYS 7 5.358 5.754 5.828
204 H GLY 8 H GLY 8 2.373 5.870 5.682
205 HA2 GLY 8 HA2 GLY 8 1.256 7.927 5.586
206 HA3 GLY 8 HA3 GLY 8 2.787 8.587 5.010
207 H SER 9 H SER 9 1.926 9.920 3.403
208 HA SER 9 HA SER 9 -0.121 9.353 1.590
209 HG SER 9 HG SER 9 1.045 11.959 2.593
210 HB2 SER 9 HB2 SER 9 2.412 10.959 1.253
211 HB3 SER 9 HB3 SER 9 1.180 10.878 -0.003
212 H ASP 10 H ASP 10 3.311 8.534 1.322
213 HA ASP 10 HA ASP 10 3.410 7.453 -1.243
214 HB2 ASP 10 HB2 ASP 10 4.625 6.135 1.200
215 HB3 ASP 10 HB3 ASP 10 5.185 5.989 -0.464
216 H LEU 11 H LEU 11 2.539 5.649 1.715
217 HA LEU 11 HA LEU 11 1.850 3.230 0.505
218 HG LEU 11 HG LEU 11 -0.501 2.196 2.248
219 HB2 LEU 11 HB2 LEU 11 1.888 3.877 3.014
220 HB3 LEU 11 HB3 LEU 11 0.220 4.389 2.772
221 HD11 LEU 11 HD11 LEU 11 1.416 0.362 2.141
222 HD12 LEU 11 HD12 LEU 11 2.400 1.740 1.650
223 HD13 LEU 11 HD13 LEU 11 0.982 1.290 0.704
224 HD21 LEU 11 HD21 LEU 11 -0.270 1.400 4.347
225 HD22 LEU 11 HD22 LEU 11 0.864 2.720 4.632
226 HD23 LEU 11 HD23 LEU 11 1.460 1.139 4.126
227 H VAL 12 H VAL 12 -0.424 5.939 1.221
228 HA VAL 12 HA VAL 12 -2.572 4.703 -0.251
229 HB VAL 12 HB VAL 12 -3.819 6.600 0.234
230 HG11 VAL 12 HG11 VAL 12 -2.209 5.660 2.211
231 HG12 VAL 12 HG12 VAL 12 -3.458 6.880 2.462
232 HG13 VAL 12 HG13 VAL 12 -1.780 7.370 2.231
233 HG21 VAL 12 HG21 VAL 12 -1.293 8.034 -0.425
234 HG22 VAL 12 HG22 VAL 12 -2.360 8.820 0.736
235 HG23 VAL 12 HG23 VAL 12 -2.952 8.419 -0.875
236 H GLU 13 H GLU 13 0.088 6.813 -1.139
237 HA GLU 13 HA GLU 13 -0.793 7.714 -3.657
238 HB2 GLU 13 HB2 GLU 13 1.304 8.558 -3.630
239 HB3 GLU 13 HB3 GLU 13 1.683 7.558 -2.234
240 HG2 GLU 13 HG2 GLU 13 2.461 5.758 -3.629
241 HG3 GLU 13 HG3 GLU 13 1.840 6.539 -5.084
242 H ALA 14 H ALA 14 0.313 4.569 -2.593
243 HA ALA 14 HA ALA 14 0.212 3.475 -5.337
244 HB1 ALA 14 HB1 ALA 14 0.517 1.355 -3.551
245 HB2 ALA 14 HB2 ALA 14 1.385 2.684 -2.781
246 HB3 ALA 14 HB3 ALA 14 1.819 2.176 -4.413
247 H LEU 15 H LEU 15 -1.427 3.042 -2.184
248 HA LEU 15 HA LEU 15 -3.330 1.128 -2.963
249 HG LEU 15 HG LEU 15 -1.995 2.489 -0.123
250 HB2 LEU 15 HB2 LEU 15 -3.785 3.527 -1.161
251 HB3 LEU 15 HB3 LEU 15 -4.773 2.067 -1.183
252 HD11 LEU 15 HD11 LEU 15 -4.185 2.346 1.215
253 HD12 LEU 15 HD12 LEU 15 -2.828 1.365 1.769
254 HD13 LEU 15 HD13 LEU 15 -4.140 0.620 0.855
255 HD21 LEU 15 HD21 LEU 15 -3.024 -0.159 -1.211
256 HD22 LEU 15 HD22 LEU 15 -1.641 -0.009 -0.127
257 HD23 LEU 15 HD23 LEU 15 -1.581 0.710 -1.736
258 H TYR 16 H TYR 16 -3.359 4.657 -3.362
259 HA TYR 16 HA TYR 16 -5.952 4.779 -4.619
260 HD1 TYR 16 HD1 TYR 16 -5.849 6.963 -2.272
261 HD2 TYR 16 HD2 TYR 16 -6.274 7.608 -6.499
262 HE1 TYR 16 HE1 TYR 16 -7.981 8.168 -1.874
263 HE2 TYR 16 HE2 TYR 16 -8.407 8.814 -6.102
264 HH TYR 16 HH TYR 16 -9.767 9.676 -4.558
265 HB2 TYR 16 HB2 TYR 16 -3.964 6.623 -3.815
266 HB3 TYR 16 HB3 TYR 16 -4.166 6.853 -5.548
267 H LEU 17 H LEU 17 -2.628 4.785 -5.929
268 HA LEU 17 HA LEU 17 -3.441 4.761 -8.677
269 HG LEU 17 HG LEU 17 -0.962 2.795 -9.506
270 HB2 LEU 17 HB2 LEU 17 -1.190 5.452 -8.067
271 HB3 LEU 17 HB3 LEU 17 -0.864 3.868 -7.362
272 HD11 LEU 17 HD11 LEU 17 -2.039 5.461 -10.454
273 HD12 LEU 17 HD12 LEU 17 -2.833 3.888 -10.526
274 HD13 LEU 17 HD13 LEU 17 -1.447 4.224 -11.563
275 HD21 LEU 17 HD21 LEU 17 0.889 3.818 -10.622
276 HD22 LEU 17 HD22 LEU 17 1.094 4.202 -8.914
277 HD23 LEU 17 HD23 LEU 17 0.458 5.419 -10.021
278 H VAL 18 H VAL 18 -2.319 2.147 -6.550
279 HA VAL 18 HA VAL 18 -2.551 0.013 -8.380
280 HB VAL 18 HB VAL 18 -2.634 -1.458 -6.494
281 HG11 VAL 18 HG11 VAL 18 -1.192 0.300 -4.861
282 HG12 VAL 18 HG12 VAL 18 -0.921 0.863 -6.510
283 HG13 VAL 18 HG13 VAL 18 -0.539 -0.802 -6.071
284 HG21 VAL 18 HG21 VAL 18 -3.634 0.954 -4.961
285 HG22 VAL 18 HG22 VAL 18 -3.159 -0.568 -4.209
286 HG23 VAL 18 HG23 VAL 18 -4.535 -0.522 -5.311
287 H CYS 19 H CYS 19 -4.998 1.628 -6.435
288 HA CYS 19 HA CYS 19 -7.033 0.117 -7.993
289 HB2 CYS 19 HB2 CYS 19 -6.978 0.740 -5.043
290 HB3 CYS 19 HB3 CYS 19 -8.469 0.331 -5.884
291 H GLY 20 H GLY 20 -7.107 2.818 -5.635
292 HA2 GLY 20 HA2 GLY 20 -7.389 5.141 -6.405
293 HA3 GLY 20 HA3 GLY 20 -8.236 4.513 -7.817
294 H GLU 21 H GLU 21 -10.417 4.589 -7.732
295 HA GLU 21 HA GLU 21 -11.794 5.615 -5.435
296 HB2 GLU 21 HB2 GLU 21 -12.404 5.014 -8.163
297 HB3 GLU 21 HB3 GLU 21 -13.633 4.263 -7.145
298 HG2 GLU 21 HG2 GLU 21 -12.873 7.008 -6.352
299 HG3 GLU 21 HG3 GLU 21 -13.689 6.882 -7.912
300 H ARG 22 H ARG 22 -10.680 2.469 -6.087
301 HA ARG 22 HA ARG 22 -12.832 0.954 -4.924
302 HE ARG 22 HE ARG 22 -10.092 -3.037 -5.247
303 HB2 ARG 22 HB2 ARG 22 -10.297 0.409 -6.062
304 HB3 ARG 22 HB3 ARG 22 -10.284 -0.294 -4.444
305 HG2 ARG 22 HG2 ARG 22 -12.772 -0.702 -6.005
306 HG3 ARG 22 HG3 ARG 22 -11.346 -1.550 -6.605
307 HD2 ARG 22 HD2 ARG 22 -11.760 -1.667 -3.673
308 HD3 ARG 22 HD3 ARG 22 -12.949 -2.533 -4.646
309 HH11 ARG 22 HH11 ARG 22 -13.127 -4.357 -5.262
310 HH12 ARG 22 HH12 ARG 22 -12.692 -5.866 -4.531
311 HH21 ARG 22 HH21 ARG 22 -9.490 -4.832 -3.684
312 HH22 ARG 22 HH22 ARG 22 -10.628 -6.137 -3.640
313 H GLY 23 H GLY 23 -10.586 3.111 -3.563
314 HA2 GLY 23 HA2 GLY 23 -10.339 3.776 -1.318
315 HA3 GLY 23 HA3 GLY 23 -11.601 2.621 -0.893
316 H PHE 24 H PHE 24 -9.659 2.679 0.890
317 HA PHE 24 HA PHE 24 -8.341 0.072 0.558
318 HD1 PHE 24 HD1 PHE 24 -7.572 2.909 -1.607
319 HD2 PHE 24 HD2 PHE 24 -6.186 3.581 2.405
320 HE1 PHE 24 HE1 PHE 24 -7.645 5.358 -1.992
321 HE2 PHE 24 HE2 PHE 24 -6.259 6.032 2.020
322 HZ PHE 24 HZ PHE 24 -6.981 6.920 -0.187
323 HB2 PHE 24 HB2 PHE 24 -6.173 1.382 1.491
324 HB3 PHE 24 HB3 PHE 24 -6.446 1.106 -0.229
325 H PHE 25 H PHE 25 -7.125 -0.445 2.712
326 HA PHE 25 HA PHE 25 -8.728 0.728 4.951
327 HD1 PHE 25 HD1 PHE 25 -8.278 0.455 7.052
328 HD2 PHE 25 HD2 PHE 25 -10.202 -3.169 5.773
329 HE1 PHE 25 HE1 PHE 25 -9.677 0.474 9.102
330 HE2 PHE 25 HE2 PHE 25 -11.600 -3.150 7.823
331 HZ PHE 25 HZ PHE 25 -11.338 -1.328 9.487
332 HB2 PHE 25 HB2 PHE 25 -8.846 -1.834 4.226
333 HB3 PHE 25 HB3 PHE 25 -7.394 -1.934 5.222
334 H TYR 26 H TYR 26 -6.808 2.358 4.767
335 HA TYR 26 HA TYR 26 -4.171 1.634 5.551
336 HD1 TYR 26 HD1 TYR 26 -2.388 3.328 4.568
337 HD2 TYR 26 HD2 TYR 26 -4.295 4.978 8.049
338 HE1 TYR 26 HE1 TYR 26 -0.178 4.048 5.438
339 HE2 TYR 26 HE2 TYR 26 -2.085 5.696 8.918
340 HH TYR 26 HH TYR 26 0.111 5.678 8.598
341 HB2 TYR 26 HB2 TYR 26 -4.885 3.883 4.665
342 HB3 TYR 26 HB3 TYR 26 -5.610 4.214 6.238
343 H THR 27 H THR 27 -3.693 0.524 7.401
344 HA THR 27 HA THR 27 -5.188 1.276 9.884
345 HB THR 27 HB THR 27 -5.865 -0.929 9.519
346 HG1 THR 27 HG1 THR 27 -4.598 -2.196 10.947
347 HG21 THR 27 HG21 THR 27 -3.116 -1.282 8.337
348 HG22 THR 27 HG22 THR 27 -4.685 -1.535 7.572
349 HG23 THR 27 HG23 THR 27 -4.100 -2.677 8.781
350 H LYS 28 H LYS 28 -3.954 1.600 11.752
351 HA LYS 28 HA LYS 28 -1.034 1.878 11.301
352 HB2 LYS 28 HB2 LYS 28 -2.936 3.400 12.723
353 HB3 LYS 28 HB3 LYS 28 -1.895 2.673 13.937
354 HG2 LYS 28 HG2 LYS 28 0.072 3.588 12.974
355 HG3 LYS 28 HG3 LYS 28 -0.773 4.056 11.502
356 HD2 LYS 28 HD2 LYS 28 -0.925 5.314 14.242
357 HD3 LYS 28 HD3 LYS 28 -0.566 6.086 12.699
358 HE2 LYS 28 HE2 LYS 28 -3.249 4.998 13.603
359 HE3 LYS 28 HE3 LYS 28 -2.824 6.689 13.348
360 HZ1 LYS 28 HZ1 LYS 28 -2.838 6.456 11.092
361 HZ2 LYS 28 HZ2 LYS 28 -4.045 5.335 11.505
362 HZ3 LYS 28 HZ3 LYS 28 -2.477 4.800 11.130
363 HA PRO 29 HA PRO 29 -1.049 -0.779 15.197
364 HB2 PRO 29 HB2 PRO 29 -3.410 -1.361 16.431
365 HB3 PRO 29 HB3 PRO 29 -2.535 0.164 16.671
366 HG2 PRO 29 HG2 PRO 29 -5.040 -0.320 15.144
367 HG3 PRO 29 HG3 PRO 29 -4.466 1.160 15.929
368 HD2 PRO 29 HD2 PRO 29 -4.305 0.517 13.157
369 HD3 PRO 29 HD3 PRO 29 -3.583 1.912 13.980
370 H THR 30 H THR 30 -1.276 -1.897 12.651
371 HA THR 30 HA THR 30 -1.916 -3.836 11.457
372 HB THR 30 HB THR 30 -0.198 -4.673 13.009
373 HG1 THR 30 HG1 THR 30 -0.947 -6.843 13.057
374 HG21 THR 30 HG21 THR 30 -1.170 -4.038 15.131
375 HG22 THR 30 HG22 THR 30 -0.966 -5.790 15.123
376 HG23 THR 30 HG23 THR 30 -2.561 -5.086 14.856
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 1.627 -5.136 9.440
2 H2 GLY 1 H2 GLY 1 0.915 -6.673 9.317
3 H3 GLY 1 H3 GLY 1 0.213 -5.487 10.311
4 HA2 GLY 1 HA2 GLY 1 -0.327 -5.899 7.632
5 HA3 GLY 1 HA3 GLY 1 -1.070 -4.665 8.694
6 H ILE 2 H ILE 2 -0.728 -3.071 6.968
7 HA ILE 2 HA ILE 2 1.286 -3.582 4.842
8 HB ILE 2 HB ILE 2 -1.060 -3.059 4.176
9 HG12 ILE 2 HG12 ILE 2 0.028 -0.679 3.070
10 HG13 ILE 2 HG13 ILE 2 1.365 -1.806 3.280
11 HG21 ILE 2 HG21 ILE 2 -1.445 -0.418 4.441
12 HG22 ILE 2 HG22 ILE 2 -0.478 -0.688 5.891
13 HG23 ILE 2 HG23 ILE 2 -1.991 -1.566 5.663
14 HD11 ILE 2 HD11 ILE 2 -0.875 -3.270 2.282
15 HD12 ILE 2 HD12 ILE 2 0.675 -2.975 1.493
16 HD13 ILE 2 HD13 ILE 2 -0.658 -1.841 1.272
17 HA ABA 3 HA ABA 3 3.008 0.104 6.894
18 H ABA 3 H ABA 3 1.774 -2.486 7.659
19 HB2 ABA 3 HB2 ABA 3 1.972 -1.007 9.464
20 HB3 ABA 3 HB3 ABA 3 3.215 0.223 9.497
21 HG1 ABA 3 HG1 ABA 3 0.642 0.893 9.473
22 HG2 ABA 3 HG2 ABA 3 0.847 0.675 7.735
23 HG3 ABA 3 HG3 ABA 3 1.836 1.852 8.599
24 H GLU 4 H GLU 4 3.985 -1.702 9.706
25 HA GLU 4 HA GLU 4 6.721 -1.524 9.268
26 HB2 GLU 4 HB2 GLU 4 6.495 -2.351 11.363
27 HB3 GLU 4 HB3 GLU 4 4.940 -3.083 10.987
28 HG2 GLU 4 HG2 GLU 4 5.980 -5.053 10.112
29 HG3 GLU 4 HG3 GLU 4 7.572 -4.296 10.126
30 H GLN 5 H GLN 5 4.459 -3.663 7.698
31 HA GLN 5 HA GLN 5 6.621 -5.394 6.665
32 HB2 GLN 5 HB2 GLN 5 4.057 -5.973 7.261
33 HB3 GLN 5 HB3 GLN 5 3.865 -5.570 5.555
34 HG2 GLN 5 HG2 GLN 5 6.203 -7.260 6.069
35 HG3 GLN 5 HG3 GLN 5 4.685 -8.025 6.540
36 HE21 GLN 5 HE21 GLN 5 2.931 -6.953 4.594
37 HE22 GLN 5 HE22 GLN 5 3.408 -7.492 3.057
38 H CYS 6 H CYS 6 4.322 -2.982 5.478
39 HA CYS 6 HA CYS 6 5.667 -2.968 2.815
40 HB2 CYS 6 HB2 CYS 6 3.044 -2.031 3.932
41 HB3 CYS 6 HB3 CYS 6 3.662 -1.245 2.512
42 H CYS 7 H CYS 7 6.455 -1.733 5.613
43 HA CYS 7 HA CYS 7 7.104 0.968 4.520
44 HB2 CYS 7 HB2 CYS 7 5.336 1.162 6.239
45 HB3 CYS 7 HB3 CYS 7 6.360 0.293 7.374
46 H THR 8 H THR 8 8.145 -1.827 6.373
47 HA THR 8 HA THR 8 10.803 -0.532 6.771
48 HB THR 8 HB THR 8 11.212 -2.095 8.497
49 HG1 THR 8 HG1 THR 8 9.132 -3.562 7.270
50 HG21 THR 8 HG21 THR 8 8.751 -0.659 8.446
51 HG22 THR 8 HG22 THR 8 9.713 -1.117 9.852
52 HG23 THR 8 HG23 THR 8 8.457 -2.200 9.252
53 H SER 9 H SER 9 9.356 -2.130 4.406
54 HA SER 9 HA SER 9 11.876 -3.412 3.538
55 HG SER 9 HG SER 9 10.141 -6.095 5.120
56 HB2 SER 9 HB2 SER 9 9.206 -4.847 3.587
57 HB3 SER 9 HB3 SER 9 10.682 -5.467 2.851
58 H ILE 10 H ILE 10 9.015 -4.275 1.819
59 HA ILE 10 HA ILE 10 8.965 -1.884 0.149
60 HB ILE 10 HB ILE 10 10.548 -4.285 -0.591
61 HG12 ILE 10 HG12 ILE 10 11.302 -2.200 -2.186
62 HG13 ILE 10 HG13 ILE 10 10.651 -1.351 -0.783
63 HG21 ILE 10 HG21 ILE 10 8.701 -2.872 -2.524
64 HG22 ILE 10 HG22 ILE 10 8.758 -4.598 -2.165
65 HG23 ILE 10 HG23 ILE 10 10.088 -3.834 -3.036
66 HD11 ILE 10 HD11 ILE 10 12.654 -1.729 0.192
67 HD12 ILE 10 HD12 ILE 10 13.111 -2.916 -1.030
68 HD13 ILE 10 HD13 ILE 10 12.128 -3.405 0.351
69 H CYS 11 H CYS 11 7.294 -2.037 -1.519
70 HA CYS 11 HA CYS 11 5.581 -4.416 -1.575
71 HB2 CYS 11 HB2 CYS 11 4.738 -1.894 -0.197
72 HB3 CYS 11 HB3 CYS 11 3.551 -2.938 -0.977
73 H SER 12 H SER 12 5.024 -4.648 -3.632
74 HA SER 12 HA SER 12 5.389 -2.468 -5.526
75 HG SER 12 HG SER 12 5.806 -5.986 -5.359
76 HB2 SER 12 HB2 SER 12 4.184 -4.472 -6.951
77 HB3 SER 12 HB3 SER 12 5.919 -4.346 -6.673
78 H LEU 13 H LEU 13 3.799 -1.692 -6.953
79 HA LEU 13 HA LEU 13 1.397 -0.776 -5.817
80 HG LEU 13 HG LEU 13 0.975 -2.150 -9.081
81 HB2 LEU 13 HB2 LEU 13 0.894 0.080 -7.974
82 HB3 LEU 13 HB3 LEU 13 2.658 0.061 -7.889
83 HD11 LEU 13 HD11 LEU 13 1.325 0.277 -10.220
84 HD12 LEU 13 HD12 LEU 13 1.195 -1.221 -11.143
85 HD13 LEU 13 HD13 LEU 13 2.783 -0.543 -10.780
86 HD21 LEU 13 HD21 LEU 13 3.943 -1.659 -8.830
87 HD22 LEU 13 HD22 LEU 13 3.282 -2.774 -10.026
88 HD23 LEU 13 HD23 LEU 13 3.025 -3.071 -8.306
89 H TYR 14 H TYR 14 1.996 -3.971 -6.866
90 HA TYR 14 HA TYR 14 -0.896 -4.318 -7.460
91 HD1 TYR 14 HD1 TYR 14 -1.863 -6.697 -9.155
92 HD2 TYR 14 HD2 TYR 14 1.620 -7.844 -6.912
93 HE1 TYR 14 HE1 TYR 14 -2.820 -8.961 -8.827
94 HE2 TYR 14 HE2 TYR 14 0.660 -10.110 -6.584
95 HH TYR 14 HH TYR 14 -2.430 -11.029 -8.091
96 HB2 TYR 14 HB2 TYR 14 0.218 -5.362 -9.223
97 HB3 TYR 14 HB3 TYR 14 1.600 -5.796 -8.221
98 H GLN 15 H GLN 15 1.706 -5.143 -5.393
99 HA GLN 15 HA GLN 15 0.288 -7.079 -3.784
100 HB2 GLN 15 HB2 GLN 15 2.800 -5.514 -3.747
101 HB3 GLN 15 HB3 GLN 15 2.149 -5.905 -2.156
102 HG2 GLN 15 HG2 GLN 15 2.559 -7.940 -4.355
103 HG3 GLN 15 HG3 GLN 15 3.732 -7.641 -3.071
104 HE21 GLN 15 HE21 GLN 15 2.508 -7.631 -0.744
105 HE22 GLN 15 HE22 GLN 15 1.467 -8.949 -0.505
106 H LEU 16 H LEU 16 0.671 -3.630 -4.011
107 HA LEU 16 HA LEU 16 -0.857 -3.045 -1.573
108 HG LEU 16 HG LEU 16 2.024 -2.368 -2.791
109 HB2 LEU 16 HB2 LEU 16 0.145 -1.246 -3.794
110 HB3 LEU 16 HB3 LEU 16 -0.451 -0.725 -2.222
111 HD11 LEU 16 HD11 LEU 16 3.254 -0.567 -1.942
112 HD12 LEU 16 HD12 LEU 16 1.848 0.138 -1.145
113 HD13 LEU 16 HD13 LEU 16 1.998 0.217 -2.900
114 HD21 LEU 16 HD21 LEU 16 1.550 -3.414 -0.841
115 HD22 LEU 16 HD22 LEU 16 0.335 -2.218 -0.390
116 HD23 LEU 16 HD23 LEU 16 2.043 -1.897 -0.091
117 H GLU 17 H GLU 17 -1.361 -3.679 -4.885
118 HA GLU 17 HA GLU 17 -3.915 -2.319 -5.105
119 HB2 GLU 17 HB2 GLU 17 -2.525 -2.839 -7.087
120 HB3 GLU 17 HB3 GLU 17 -2.700 -4.558 -6.753
121 HG2 GLU 17 HG2 GLU 17 -5.236 -4.162 -6.858
122 HG3 GLU 17 HG3 GLU 17 -4.846 -2.603 -7.585
123 H ASN 18 H ASN 18 -2.716 -5.343 -3.899
124 HA ASN 18 HA ASN 18 -5.296 -6.717 -3.974
125 HB2 ASN 18 HB2 ASN 18 -2.598 -7.305 -2.771
126 HB3 ASN 18 HB3 ASN 18 -4.000 -8.280 -2.329
127 HD21 ASN 18 HD21 ASN 18 -1.470 -8.648 -4.225
128 HD22 ASN 18 HD22 ASN 18 -2.161 -9.352 -5.605
129 H TYR 19 H TYR 19 -4.305 -4.132 -2.227
130 HA TYR 19 HA TYR 19 -5.639 -5.038 0.282
131 HD1 TYR 19 HD1 TYR 19 -2.455 -5.123 -0.775
132 HD2 TYR 19 HD2 TYR 19 -3.937 -3.823 3.043
133 HE1 TYR 19 HE1 TYR 19 -0.903 -6.691 0.361
134 HE2 TYR 19 HE2 TYR 19 -2.387 -5.392 4.180
135 HH TYR 19 HH TYR 19 -0.829 -7.891 2.613
136 HB2 TYR 19 HB2 TYR 19 -3.694 -2.831 -0.356
137 HB3 TYR 19 HB3 TYR 19 -4.684 -2.759 1.102
138 H CYS 20 H CYS 20 -6.542 -3.611 -2.542
139 HA CYS 20 HA CYS 20 -7.925 -1.264 -1.660
140 HB2 CYS 20 HB2 CYS 20 -8.919 -3.020 -3.897
141 HB3 CYS 20 HB3 CYS 20 -9.022 -1.269 -3.742
142 H ASN 21 H ASN 21 -10.462 -1.214 -1.887
143 HA ASN 21 HA ASN 21 -11.566 -2.639 0.300
144 HB2 ASN 21 HB2 ASN 21 -12.431 -0.535 -1.022
145 HB3 ASN 21 HB3 ASN 21 -13.294 -1.735 -1.984
146 HD21 ASN 21 HD21 ASN 21 -12.980 -0.400 1.303
147 HD22 ASN 21 HD22 ASN 21 -14.440 -1.043 1.883
148 HA PHE 1 HA PHE 1 7.048 -2.858 -11.228
149 HD1 PHE 1 HD1 PHE 1 4.533 -2.764 -13.195
150 HD2 PHE 1 HD2 PHE 1 8.689 -2.711 -14.287
151 HE1 PHE 1 HE1 PHE 1 4.184 -4.768 -14.616
152 HE2 PHE 1 HE2 PHE 1 8.341 -4.715 -15.709
153 HZ PHE 1 HZ PHE 1 6.088 -5.743 -15.873
154 H1 PHE 1 H1 PHE 1 5.462 -0.746 -10.129
155 H2 PHE 1 H2 PHE 1 5.129 -2.409 -10.239
156 H3 PHE 1 H3 PHE 1 4.785 -1.383 -11.548
157 HB2 PHE 1 HB2 PHE 1 6.063 -0.671 -12.973
158 HB3 PHE 1 HB3 PHE 1 7.805 -0.951 -13.010
159 H VAL 2 H VAL 2 7.046 -1.575 -8.781
160 HA VAL 2 HA VAL 2 9.508 0.102 -8.991
161 HB VAL 2 HB VAL 2 8.693 1.494 -7.135
162 HG11 VAL 2 HG11 VAL 2 7.120 2.770 -8.379
163 HG12 VAL 2 HG12 VAL 2 6.504 1.342 -9.211
164 HG13 VAL 2 HG13 VAL 2 8.112 1.961 -9.592
165 HG21 VAL 2 HG21 VAL 2 6.282 -0.328 -7.341
166 HG22 VAL 2 HG22 VAL 2 6.237 1.230 -6.514
167 HG23 VAL 2 HG23 VAL 2 7.303 -0.048 -5.931
168 H ASN 3 H ASN 3 10.447 0.264 -6.575
169 HA ASN 3 HA ASN 3 10.029 -2.212 -5.036
170 HB2 ASN 3 HB2 ASN 3 12.438 -1.648 -6.720
171 HB3 ASN 3 HB3 ASN 3 12.659 -2.468 -5.179
172 HD21 ASN 3 HD21 ASN 3 10.330 -4.059 -5.069
173 HD22 ASN 3 HD22 ASN 3 10.349 -5.173 -6.349
174 H GLN 4 H GLN 4 9.431 0.168 -4.006
175 HA GLN 4 HA GLN 4 11.799 0.892 -2.339
176 HB2 GLN 4 HB2 GLN 4 10.529 2.559 -4.100
177 HB3 GLN 4 HB3 GLN 4 9.653 2.901 -2.607
178 HG2 GLN 4 HG2 GLN 4 11.514 3.729 -1.537
179 HG3 GLN 4 HG3 GLN 4 12.627 2.730 -2.471
180 HE21 GLN 4 HE21 GLN 4 13.880 4.759 -2.917
181 HE22 GLN 4 HE22 GLN 4 13.335 5.829 -4.117
182 H HIS 5 H HIS 5 11.110 1.871 -0.191
183 HA HIS 5 HA HIS 5 9.148 0.104 1.074
184 HD2 HIS 5 HD2 HIS 5 12.300 -0.547 3.453
185 HE1 HIS 5 HE1 HIS 5 14.541 1.163 0.302
186 HE2 HIS 5 HE2 HIS 5 14.585 -0.530 2.211
187 HB2 HIS 5 HB2 HIS 5 10.363 2.473 2.464
188 HB3 HIS 5 HB3 HIS 5 9.997 0.872 3.106
189 H LEU 6 H LEU 6 7.524 1.295 2.666
190 HA LEU 6 HA LEU 6 6.470 3.737 1.357
191 HG LEU 6 HG LEU 6 3.662 3.555 0.513
192 HB2 LEU 6 HB2 LEU 6 5.312 1.132 1.204
193 HB3 LEU 6 HB3 LEU 6 4.272 2.090 2.242
194 HD11 LEU 6 HD11 LEU 6 5.071 3.605 -1.653
195 HD12 LEU 6 HD12 LEU 6 6.312 2.769 -0.723
196 HD13 LEU 6 HD13 LEU 6 5.774 4.375 -0.231
197 HD21 LEU 6 HD21 LEU 6 2.598 1.876 -0.526
198 HD22 LEU 6 HD22 LEU 6 3.930 0.756 -0.236
199 HD23 LEU 6 HD23 LEU 6 3.961 1.818 -1.645
200 H CYS 7 H CYS 7 4.573 4.633 2.731
201 HA CYS 7 HA CYS 7 3.940 4.149 5.330
202 HB2 CYS 7 HB2 CYS 7 6.770 4.709 5.220
203 HB3 CYS 7 HB3 CYS 7 5.954 5.970 6.128
204 H GLY 8 H GLY 8 2.537 5.736 5.974
205 HA2 GLY 8 HA2 GLY 8 1.441 7.811 6.031
206 HA3 GLY 8 HA3 GLY 8 2.933 8.540 5.442
207 H SER 9 H SER 9 1.927 9.867 3.896
208 HA SER 9 HA SER 9 -0.100 9.171 2.087
209 HG SER 9 HG SER 9 3.000 10.925 2.381
210 HB2 SER 9 HB2 SER 9 0.749 10.983 0.666
211 HB3 SER 9 HB3 SER 9 0.795 11.467 2.359
212 H ASP 10 H ASP 10 3.265 8.280 2.068
213 HA ASP 10 HA ASP 10 3.535 7.544 -0.672
214 HB2 ASP 10 HB2 ASP 10 4.798 6.141 1.691
215 HB3 ASP 10 HB3 ASP 10 5.409 6.195 0.038
216 H LEU 11 H LEU 11 2.172 5.821 2.101
217 HA LEU 11 HA LEU 11 1.756 3.372 0.582
218 HG LEU 11 HG LEU 11 -0.290 1.901 2.333
219 HB2 LEU 11 HB2 LEU 11 1.978 3.701 3.177
220 HB3 LEU 11 HB3 LEU 11 0.258 4.066 3.099
221 HD11 LEU 11 HD11 LEU 11 1.124 1.363 0.576
222 HD12 LEU 11 HD12 LEU 11 1.774 0.309 1.831
223 HD13 LEU 11 HD13 LEU 11 2.575 1.836 1.461
224 HD21 LEU 11 HD21 LEU 11 1.092 2.234 4.686
225 HD22 LEU 11 HD22 LEU 11 1.982 0.917 3.924
226 HD23 LEU 11 HD23 LEU 11 0.251 0.757 4.219
227 H VAL 12 H VAL 12 -0.192 6.205 1.449
228 HA VAL 12 HA VAL 12 -2.600 5.055 0.264
229 HB VAL 12 HB VAL 12 -3.704 6.937 0.997
230 HG11 VAL 12 HG11 VAL 12 -2.199 5.967 2.830
231 HG12 VAL 12 HG12 VAL 12 -2.845 7.585 3.105
232 HG13 VAL 12 HG13 VAL 12 -1.175 7.381 2.578
233 HG21 VAL 12 HG21 VAL 12 -1.182 8.496 0.358
234 HG22 VAL 12 HG22 VAL 12 -2.598 9.208 1.131
235 HG23 VAL 12 HG23 VAL 12 -2.720 8.555 -0.503
236 H GLU 13 H GLU 13 -0.121 7.416 -0.748
237 HA GLU 13 HA GLU 13 -1.265 8.148 -3.225
238 HB2 GLU 13 HB2 GLU 13 0.786 9.078 -3.723
239 HB3 GLU 13 HB3 GLU 13 1.028 8.831 -1.997
240 HG2 GLU 13 HG2 GLU 13 2.071 6.604 -2.528
241 HG3 GLU 13 HG3 GLU 13 1.959 7.015 -4.239
242 H ALA 14 H ALA 14 0.315 5.197 -2.210
243 HA ALA 14 HA ALA 14 0.416 4.121 -4.950
244 HB1 ALA 14 HB1 ALA 14 0.730 2.141 -2.854
245 HB2 ALA 14 HB2 ALA 14 1.744 3.547 -2.526
246 HB3 ALA 14 HB3 ALA 14 1.907 2.679 -4.052
247 H LEU 15 H LEU 15 -1.302 3.439 -1.888
248 HA LEU 15 HA LEU 15 -3.054 1.468 -2.912
249 HG LEU 15 HG LEU 15 -1.697 1.852 -0.172
250 HB2 LEU 15 HB2 LEU 15 -3.313 3.506 -0.700
251 HB3 LEU 15 HB3 LEU 15 -4.581 2.315 -1.006
252 HD11 LEU 15 HD11 LEU 15 -2.699 1.688 1.816
253 HD12 LEU 15 HD12 LEU 15 -3.445 0.199 1.234
254 HD13 LEU 15 HD13 LEU 15 -4.302 1.734 1.081
255 HD21 LEU 15 HD21 LEU 15 -2.028 0.243 -1.958
256 HD22 LEU 15 HD22 LEU 15 -3.624 -0.187 -1.342
257 HD23 LEU 15 HD23 LEU 15 -2.180 -0.619 -0.428
258 H TYR 16 H TYR 16 -3.390 5.017 -2.744
259 HA TYR 16 HA TYR 16 -5.971 5.146 -3.978
260 HD1 TYR 16 HD1 TYR 16 -7.167 7.291 -5.009
261 HD2 TYR 16 HD2 TYR 16 -4.973 7.801 -1.349
262 HE1 TYR 16 HE1 TYR 16 -9.182 8.259 -3.935
263 HE2 TYR 16 HE2 TYR 16 -6.990 8.769 -0.275
264 HH TYR 16 HH TYR 16 -9.648 9.838 -1.987
265 HB2 TYR 16 HB2 TYR 16 -3.862 7.010 -3.251
266 HB3 TYR 16 HB3 TYR 16 -4.523 7.409 -4.835
267 H LEU 17 H LEU 17 -2.702 4.855 -5.245
268 HA LEU 17 HA LEU 17 -3.511 5.230 -8.023
269 HG LEU 17 HG LEU 17 -1.102 3.136 -8.811
270 HB2 LEU 17 HB2 LEU 17 -1.270 5.863 -7.491
271 HB3 LEU 17 HB3 LEU 17 -0.959 4.325 -6.688
272 HD11 LEU 17 HD11 LEU 17 -2.089 5.805 -9.744
273 HD12 LEU 17 HD12 LEU 17 -2.666 4.191 -10.158
274 HD13 LEU 17 HD13 LEU 17 -1.180 4.808 -10.881
275 HD21 LEU 17 HD21 LEU 17 1.072 4.124 -8.200
276 HD22 LEU 17 HD22 LEU 17 0.623 5.628 -9.005
277 HD23 LEU 17 HD23 LEU 17 0.851 4.156 -9.950
278 H VAL 18 H VAL 18 -2.335 2.452 -6.138
279 HA VAL 18 HA VAL 18 -2.632 0.477 -8.111
280 HB VAL 18 HB VAL 18 -2.559 -1.126 -6.383
281 HG11 VAL 18 HG11 VAL 18 -0.970 1.174 -6.263
282 HG12 VAL 18 HG12 VAL 18 -0.604 -0.410 -5.577
283 HG13 VAL 18 HG13 VAL 18 -1.407 0.814 -4.592
284 HG21 VAL 18 HG21 VAL 18 -4.586 -0.447 -5.172
285 HG22 VAL 18 HG22 VAL 18 -3.755 0.985 -4.562
286 HG23 VAL 18 HG23 VAL 18 -3.237 -0.620 -4.050
287 H CYS 19 H CYS 19 -5.033 2.244 -6.386
288 HA CYS 19 HA CYS 19 -7.080 0.830 -7.958
289 HB2 CYS 19 HB2 CYS 19 -6.894 0.840 -4.978
290 HB3 CYS 19 HB3 CYS 19 -8.489 0.898 -5.725
291 H GLY 20 H GLY 20 -6.897 3.249 -5.313
292 HA2 GLY 20 HA2 GLY 20 -7.585 5.501 -5.320
293 HA3 GLY 20 HA3 GLY 20 -7.795 5.385 -7.067
294 H GLU 21 H GLU 21 -9.796 4.335 -7.844
295 HA GLU 21 HA GLU 21 -12.094 5.213 -6.295
296 HB2 GLU 21 HB2 GLU 21 -11.839 5.132 -8.871
297 HB3 GLU 21 HB3 GLU 21 -12.234 3.419 -8.716
298 HG2 GLU 21 HG2 GLU 21 -14.381 3.858 -7.877
299 HG3 GLU 21 HG3 GLU 21 -13.958 5.499 -7.389
300 H ARG 22 H ARG 22 -10.276 2.298 -6.438
301 HA ARG 22 HA ARG 22 -12.521 0.609 -5.568
302 HE ARG 22 HE ARG 22 -14.027 -1.358 -6.530
303 HB2 ARG 22 HB2 ARG 22 -9.934 0.182 -6.706
304 HB3 ARG 22 HB3 ARG 22 -10.001 -0.673 -5.167
305 HG2 ARG 22 HG2 ARG 22 -12.144 -0.868 -7.303
306 HG3 ARG 22 HG3 ARG 22 -10.830 -2.030 -7.125
307 HD2 ARG 22 HD2 ARG 22 -11.975 -3.108 -5.514
308 HD3 ARG 22 HD3 ARG 22 -12.054 -1.628 -4.557
309 HH11 ARG 22 HH11 ARG 22 -13.373 -4.241 -4.942
310 HH12 ARG 22 HH12 ARG 22 -14.928 -4.387 -4.194
311 HH21 ARG 22 HH21 ARG 22 -15.983 -1.229 -5.150
312 HH22 ARG 22 HH22 ARG 22 -16.403 -2.684 -4.309
313 H GLY 23 H GLY 23 -10.922 2.957 -4.041
314 HA2 GLY 23 HA2 GLY 23 -10.441 3.433 -1.795
315 HA3 GLY 23 HA3 GLY 23 -11.657 2.211 -1.426
316 H PHE 24 H PHE 24 -9.450 2.477 0.234
317 HA PHE 24 HA PHE 24 -8.144 -0.147 -0.206
318 HD1 PHE 24 HD1 PHE 24 -6.340 2.798 2.271
319 HD2 PHE 24 HD2 PHE 24 -7.102 3.356 -1.922
320 HE1 PHE 24 HE1 PHE 24 -6.381 5.256 2.606
321 HE2 PHE 24 HE2 PHE 24 -7.142 5.814 -1.588
322 HZ PHE 24 HZ PHE 24 -6.777 6.765 0.675
323 HB2 PHE 24 HB2 PHE 24 -5.955 0.983 0.608
324 HB3 PHE 24 HB3 PHE 24 -6.425 1.204 -1.076
325 H PHE 25 H PHE 25 -6.842 -0.729 1.862
326 HA PHE 25 HA PHE 25 -8.375 0.252 4.237
327 HD1 PHE 25 HD1 PHE 25 -10.598 -1.345 4.667
328 HD2 PHE 25 HD2 PHE 25 -6.925 -2.565 6.535
329 HE1 PHE 25 HE1 PHE 25 -11.758 -1.487 6.856
330 HE2 PHE 25 HE2 PHE 25 -8.085 -2.706 8.725
331 HZ PHE 25 HZ PHE 25 -10.502 -2.167 8.885
332 HB2 PHE 25 HB2 PHE 25 -8.636 -2.217 3.348
333 HB3 PHE 25 HB3 PHE 25 -7.086 -2.460 4.155
334 H TYR 26 H TYR 26 -6.753 1.840 4.721
335 HA TYR 26 HA TYR 26 -3.977 0.958 5.137
336 HD1 TYR 26 HD1 TYR 26 -1.979 2.073 5.014
337 HD2 TYR 26 HD2 TYR 26 -4.303 4.932 7.226
338 HE1 TYR 26 HE1 TYR 26 0.059 2.781 6.243
339 HE2 TYR 26 HE2 TYR 26 -2.268 5.639 8.453
340 HH TYR 26 HH TYR 26 0.573 5.361 7.621
341 HB2 TYR 26 HB2 TYR 26 -4.375 3.198 4.239
342 HB3 TYR 26 HB3 TYR 26 -5.357 3.612 5.644
343 H THR 27 H THR 27 -3.114 0.407 7.112
344 HA THR 27 HA THR 27 -4.858 0.807 9.512
345 HB THR 27 HB THR 27 -4.210 -1.332 10.343
346 HG1 THR 27 HG1 THR 27 -2.414 -2.264 9.760
347 HG21 THR 27 HG21 THR 27 -4.368 -2.475 7.725
348 HG22 THR 27 HG22 THR 27 -5.402 -1.047 7.771
349 HG23 THR 27 HG23 THR 27 -5.639 -2.346 8.940
350 H LYS 28 H LYS 28 -3.816 1.501 11.392
351 HA LYS 28 HA LYS 28 -1.101 2.609 11.010
352 HB2 LYS 28 HB2 LYS 28 -3.382 3.393 12.511
353 HB3 LYS 28 HB3 LYS 28 -2.117 3.006 13.667
354 HG2 LYS 28 HG2 LYS 28 -1.971 5.369 13.002
355 HG3 LYS 28 HG3 LYS 28 -0.546 4.480 12.467
356 HD2 LYS 28 HD2 LYS 28 -1.313 5.897 10.644
357 HD3 LYS 28 HD3 LYS 28 -1.619 4.213 10.218
358 HE2 LYS 28 HE2 LYS 28 -3.524 5.982 9.880
359 HE3 LYS 28 HE3 LYS 28 -3.925 4.406 10.564
360 HZ1 LYS 28 HZ1 LYS 28 -3.913 5.299 12.738
361 HZ2 LYS 28 HZ2 LYS 28 -4.837 6.364 11.790
362 HZ3 LYS 28 HZ3 LYS 28 -3.245 6.769 12.218
363 HA PRO 29 HA PRO 29 -0.350 -0.067 14.848
364 HB2 PRO 29 HB2 PRO 29 -2.415 -1.570 15.828
365 HB3 PRO 29 HB3 PRO 29 -2.140 0.121 16.273
366 HG2 PRO 29 HG2 PRO 29 -4.228 -1.025 14.491
367 HG3 PRO 29 HG3 PRO 29 -4.258 0.463 15.452
368 HD2 PRO 29 HD2 PRO 29 -3.768 0.264 12.668
369 HD3 PRO 29 HD3 PRO 29 -3.548 1.705 13.681
370 H THR 30 H THR 30 0.725 -1.169 12.973
371 HA THR 30 HA THR 30 1.167 -3.035 11.592
372 HB THR 30 HB THR 30 1.309 -5.099 12.893
373 HG1 THR 30 HG1 THR 30 -0.252 -5.421 14.238
374 HG21 THR 30 HG21 THR 30 2.214 -2.500 13.896
375 HG22 THR 30 HG22 THR 30 3.110 -4.009 13.718
376 HG23 THR 30 HG23 THR 30 2.127 -3.731 15.156
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 1.189 -6.015 10.523
2 H2 GLY 1 H2 GLY 1 -0.263 -5.806 11.381
3 H3 GLY 1 H3 GLY 1 0.825 -4.511 11.220
4 HA2 GLY 1 HA2 GLY 1 -0.574 -5.691 8.943
5 HA3 GLY 1 HA3 GLY 1 -1.151 -4.209 9.764
6 H ILE 2 H ILE 2 -1.072 -4.253 7.151
7 HA ILE 2 HA ILE 2 1.091 -4.914 5.522
8 HB ILE 2 HB ILE 2 -0.928 -4.173 4.479
9 HG12 ILE 2 HG12 ILE 2 1.110 -1.962 4.082
10 HG13 ILE 2 HG13 ILE 2 1.204 -3.550 3.318
11 HG21 ILE 2 HG21 ILE 2 -0.646 -1.344 5.352
12 HG22 ILE 2 HG22 ILE 2 -1.212 -2.489 6.568
13 HG23 ILE 2 HG23 ILE 2 -2.104 -2.291 5.060
14 HD11 ILE 2 HD11 ILE 2 -0.125 -2.780 1.674
15 HD12 ILE 2 HD12 ILE 2 -0.358 -1.254 2.527
16 HD13 ILE 2 HD13 ILE 2 -1.422 -2.621 2.857
17 HA ABA 3 HA ABA 3 2.686 -0.396 6.736
18 H ABA 3 H ABA 3 0.722 -2.126 7.605
19 HB2 ABA 3 HB2 ABA 3 1.725 -1.184 9.456
20 HB3 ABA 3 HB3 ABA 3 3.096 -0.101 9.311
21 HG1 ABA 3 HG1 ABA 3 0.483 0.374 7.872
22 HG2 ABA 3 HG2 ABA 3 1.818 1.508 8.074
23 HG3 ABA 3 HG3 ABA 3 0.835 1.046 9.464
24 H GLU 4 H GLU 4 3.675 -2.077 9.621
25 HA GLU 4 HA GLU 4 6.314 -2.152 9.532
26 HB2 GLU 4 HB2 GLU 4 4.414 -3.889 10.620
27 HB3 GLU 4 HB3 GLU 4 5.562 -4.938 9.790
28 HG2 GLU 4 HG2 GLU 4 7.251 -4.439 11.230
29 HG3 GLU 4 HG3 GLU 4 6.792 -2.739 11.329
30 H GLN 5 H GLN 5 4.451 -4.348 7.411
31 HA GLN 5 HA GLN 5 6.884 -5.326 6.124
32 HB2 GLN 5 HB2 GLN 5 4.364 -6.327 6.342
33 HB3 GLN 5 HB3 GLN 5 4.284 -5.621 4.728
34 HG2 GLN 5 HG2 GLN 5 5.497 -7.316 3.885
35 HG3 GLN 5 HG3 GLN 5 6.792 -7.002 5.040
36 HE21 GLN 5 HE21 GLN 5 5.267 -9.592 4.072
37 HE22 GLN 5 HE22 GLN 5 4.930 -10.389 5.532
38 H CYS 6 H CYS 6 4.100 -3.438 4.923
39 HA CYS 6 HA CYS 6 5.596 -2.548 2.581
40 HB2 CYS 6 HB2 CYS 6 2.827 -2.408 3.532
41 HB3 CYS 6 HB3 CYS 6 3.354 -0.934 2.750
42 H CYS 7 H CYS 7 5.818 -1.581 5.718
43 HA CYS 7 HA CYS 7 6.304 1.257 4.912
44 HB2 CYS 7 HB2 CYS 7 4.661 0.332 6.897
45 HB3 CYS 7 HB3 CYS 7 6.156 0.596 7.771
46 H THR 8 H THR 8 7.707 -1.675 6.029
47 HA THR 8 HA THR 8 10.267 -0.216 6.550
48 HB THR 8 HB THR 8 10.779 -1.627 8.327
49 HG1 THR 8 HG1 THR 8 10.573 -3.626 7.631
50 HG21 THR 8 HG21 THR 8 8.630 -1.957 9.650
51 HG22 THR 8 HG22 THR 8 7.770 -1.351 8.236
52 HG23 THR 8 HG23 THR 8 8.924 -0.315 9.076
53 H SER 9 H SER 9 8.647 -2.706 4.760
54 HA SER 9 HA SER 9 11.304 -3.660 3.776
55 HG SER 9 HG SER 9 8.185 -6.057 2.995
56 HB2 SER 9 HB2 SER 9 10.328 -5.745 3.197
57 HB3 SER 9 HB3 SER 9 9.667 -5.361 4.781
58 H ILE 10 H ILE 10 8.641 -4.480 1.770
59 HA ILE 10 HA ILE 10 8.897 -2.074 0.106
60 HB ILE 10 HB ILE 10 10.215 -4.678 -0.507
61 HG12 ILE 10 HG12 ILE 10 11.453 -2.656 -1.888
62 HG13 ILE 10 HG13 ILE 10 10.795 -1.806 -0.491
63 HG21 ILE 10 HG21 ILE 10 10.069 -4.327 -2.903
64 HG22 ILE 10 HG22 ILE 10 9.104 -2.872 -2.664
65 HG23 ILE 10 HG23 ILE 10 8.439 -4.451 -2.246
66 HD11 ILE 10 HD11 ILE 10 12.911 -2.543 0.245
67 HD12 ILE 10 HD12 ILE 10 12.726 -4.116 -0.530
68 HD13 ILE 10 HD13 ILE 10 11.788 -3.729 0.912
69 H CYS 11 H CYS 11 7.507 -2.334 -1.933
70 HA CYS 11 HA CYS 11 5.322 -4.329 -1.611
71 HB2 CYS 11 HB2 CYS 11 4.659 -1.436 -2.062
72 HB3 CYS 11 HB3 CYS 11 3.593 -2.745 -1.549
73 H SER 12 H SER 12 3.933 -4.436 -3.490
74 HA SER 12 HA SER 12 5.202 -3.353 -5.965
75 HG SER 12 HG SER 12 5.092 -6.262 -4.429
76 HB2 SER 12 HB2 SER 12 3.801 -5.543 -6.842
77 HB3 SER 12 HB3 SER 12 5.530 -5.517 -6.528
78 H LEU 13 H LEU 13 3.760 -2.672 -7.551
79 HA LEU 13 HA LEU 13 1.449 -1.340 -6.646
80 HG LEU 13 HG LEU 13 1.910 -3.524 -9.346
81 HB2 LEU 13 HB2 LEU 13 0.915 -1.036 -9.051
82 HB3 LEU 13 HB3 LEU 13 2.620 -0.721 -8.711
83 HD11 LEU 13 HD11 LEU 13 2.258 -1.643 -11.651
84 HD12 LEU 13 HD12 LEU 13 0.654 -1.841 -10.944
85 HD13 LEU 13 HD13 LEU 13 1.501 -3.236 -11.614
86 HD21 LEU 13 HD21 LEU 13 4.213 -1.862 -9.214
87 HD22 LEU 13 HD22 LEU 13 4.042 -2.380 -10.892
88 HD23 LEU 13 HD23 LEU 13 4.144 -3.580 -9.604
89 H TYR 14 H TYR 14 1.783 -4.689 -7.283
90 HA TYR 14 HA TYR 14 -1.163 -4.890 -7.686
91 HD1 TYR 14 HD1 TYR 14 -2.374 -6.755 -9.445
92 HD2 TYR 14 HD2 TYR 14 0.355 -8.787 -6.819
93 HE1 TYR 14 HE1 TYR 14 -4.009 -8.601 -9.173
94 HE2 TYR 14 HE2 TYR 14 -1.280 -10.633 -6.548
95 HH TYR 14 HH TYR 14 -3.182 -11.540 -7.387
96 HB2 TYR 14 HB2 TYR 14 0.070 -6.178 -9.340
97 HB3 TYR 14 HB3 TYR 14 1.084 -6.893 -8.088
98 H GLN 15 H GLN 15 1.510 -5.650 -5.675
99 HA GLN 15 HA GLN 15 0.138 -7.288 -3.761
100 HB2 GLN 15 HB2 GLN 15 2.663 -5.805 -4.039
101 HB3 GLN 15 HB3 GLN 15 2.091 -5.952 -2.381
102 HG2 GLN 15 HG2 GLN 15 2.427 -8.252 -4.320
103 HG3 GLN 15 HG3 GLN 15 3.556 -7.853 -3.025
104 HE21 GLN 15 HE21 GLN 15 2.415 -7.705 -0.745
105 HE22 GLN 15 HE22 GLN 15 1.246 -8.893 -0.422
106 H LEU 16 H LEU 16 0.621 -3.842 -4.290
107 HA LEU 16 HA LEU 16 -0.798 -3.100 -1.839
108 HG LEU 16 HG LEU 16 2.009 -2.411 -3.021
109 HB2 LEU 16 HB2 LEU 16 0.143 -1.507 -4.245
110 HB3 LEU 16 HB3 LEU 16 -0.543 -0.810 -2.789
111 HD11 LEU 16 HD11 LEU 16 3.102 -0.448 -2.291
112 HD12 LEU 16 HD12 LEU 16 1.587 0.305 -1.796
113 HD13 LEU 16 HD13 LEU 16 1.950 0.093 -3.510
114 HD21 LEU 16 HD21 LEU 16 1.898 -1.631 -0.416
115 HD22 LEU 16 HD22 LEU 16 1.404 -3.225 -0.984
116 HD23 LEU 16 HD23 LEU 16 0.195 -1.966 -0.732
117 H GLU 17 H GLU 17 -1.442 -3.866 -5.126
118 HA GLU 17 HA GLU 17 -3.960 -2.520 -5.388
119 HB2 GLU 17 HB2 GLU 17 -2.647 -3.346 -7.313
120 HB3 GLU 17 HB3 GLU 17 -2.906 -5.001 -6.772
121 HG2 GLU 17 HG2 GLU 17 -5.367 -3.383 -7.026
122 HG3 GLU 17 HG3 GLU 17 -4.535 -3.714 -8.546
123 H ASN 18 H ASN 18 -2.945 -5.511 -3.847
124 HA ASN 18 HA ASN 18 -5.690 -6.569 -3.803
125 HB2 ASN 18 HB2 ASN 18 -4.588 -8.128 -1.986
126 HB3 ASN 18 HB3 ASN 18 -4.195 -8.341 -3.692
127 HD21 ASN 18 HD21 ASN 18 -2.901 -7.456 -0.574
128 HD22 ASN 18 HD22 ASN 18 -1.314 -7.161 -1.099
129 H TYR 19 H TYR 19 -4.153 -4.123 -2.139
130 HA TYR 19 HA TYR 19 -5.641 -4.614 0.376
131 HD1 TYR 19 HD1 TYR 19 -4.283 -4.100 2.843
132 HD2 TYR 19 HD2 TYR 19 -1.880 -4.287 -0.716
133 HE1 TYR 19 HE1 TYR 19 -2.759 -5.711 3.955
134 HE2 TYR 19 HE2 TYR 19 -0.356 -5.899 0.398
135 HH TYR 19 HH TYR 19 -1.150 -7.493 3.268
136 HB2 TYR 19 HB2 TYR 19 -3.571 -2.569 -0.449
137 HB3 TYR 19 HB3 TYR 19 -4.493 -2.416 1.047
138 H CYS 20 H CYS 20 -6.591 -3.635 -2.505
139 HA CYS 20 HA CYS 20 -7.897 -1.101 -1.761
140 HB2 CYS 20 HB2 CYS 20 -8.325 -2.772 -4.254
141 HB3 CYS 20 HB3 CYS 20 -8.748 -1.077 -4.023
142 H ASN 21 H ASN 21 -10.168 -0.861 -1.518
143 HA ASN 21 HA ASN 21 -12.274 -1.531 -0.728
144 HB2 ASN 21 HB2 ASN 21 -12.627 -2.307 -2.969
145 HB3 ASN 21 HB3 ASN 21 -11.616 -3.727 -2.701
146 HD21 ASN 21 HD21 ASN 21 -14.757 -2.262 -1.860
147 HD22 ASN 21 HD22 ASN 21 -15.476 -3.706 -1.332
148 HA PHE 1 HA PHE 1 6.746 -0.638 -10.684
149 HD1 PHE 1 HD1 PHE 1 5.299 -0.943 -12.799
150 HD2 PHE 1 HD2 PHE 1 9.446 -0.225 -13.672
151 HE1 PHE 1 HE1 PHE 1 5.320 -2.908 -14.313
152 HE2 PHE 1 HE2 PHE 1 9.466 -2.192 -15.187
153 HZ PHE 1 HZ PHE 1 7.403 -3.533 -15.507
154 H1 PHE 1 H1 PHE 1 7.014 2.257 -10.267
155 H2 PHE 1 H2 PHE 1 7.113 1.218 -8.927
156 H3 PHE 1 H3 PHE 1 5.716 1.232 -9.893
157 HB2 PHE 1 HB2 PHE 1 6.472 1.330 -12.410
158 HB3 PHE 1 HB3 PHE 1 8.236 1.338 -12.390
159 H VAL 2 H VAL 2 8.178 -0.445 -8.458
160 HA VAL 2 HA VAL 2 10.864 -1.224 -9.314
161 HB VAL 2 HB VAL 2 11.540 0.553 -7.282
162 HG11 VAL 2 HG11 VAL 2 13.027 0.319 -9.059
163 HG12 VAL 2 HG12 VAL 2 12.367 1.926 -9.364
164 HG13 VAL 2 HG13 VAL 2 11.768 0.540 -10.275
165 HG21 VAL 2 HG21 VAL 2 9.131 1.487 -7.859
166 HG22 VAL 2 HG22 VAL 2 9.965 2.190 -9.246
167 HG23 VAL 2 HG23 VAL 2 10.476 2.600 -7.608
168 H ASN 3 H ASN 3 12.110 -1.148 -6.797
169 HA ASN 3 HA ASN 3 10.249 -2.785 -5.125
170 HB2 ASN 3 HB2 ASN 3 12.710 -3.537 -6.382
171 HB3 ASN 3 HB3 ASN 3 12.923 -3.597 -4.635
172 HD21 ASN 3 HD21 ASN 3 13.005 -6.055 -5.101
173 HD22 ASN 3 HD22 ASN 3 11.527 -6.887 -5.162
174 H GLN 4 H GLN 4 10.175 -0.339 -4.381
175 HA GLN 4 HA GLN 4 12.344 0.134 -2.390
176 HB2 GLN 4 HB2 GLN 4 12.068 1.957 -3.973
177 HB3 GLN 4 HB3 GLN 4 10.338 2.031 -3.641
178 HG2 GLN 4 HG2 GLN 4 10.785 2.672 -1.317
179 HG3 GLN 4 HG3 GLN 4 12.521 2.540 -1.599
180 HE21 GLN 4 HE21 GLN 4 12.540 3.743 -4.254
181 HE22 GLN 4 HE22 GLN 4 12.173 5.390 -4.067
182 H HIS 5 H HIS 5 11.657 1.035 -0.283
183 HA HIS 5 HA HIS 5 9.447 -0.494 0.834
184 HD2 HIS 5 HD2 HIS 5 12.333 -1.546 3.292
185 HE1 HIS 5 HE1 HIS 5 14.960 0.068 0.399
186 HE2 HIS 5 HE2 HIS 5 14.686 -1.722 2.196
187 HB2 HIS 5 HB2 HIS 5 10.806 1.734 2.314
188 HB3 HIS 5 HB3 HIS 5 10.246 0.174 2.917
189 H LEU 6 H LEU 6 7.991 0.914 2.495
190 HA LEU 6 HA LEU 6 7.068 3.322 1.026
191 HG LEU 6 HG LEU 6 4.171 3.288 0.421
192 HB2 LEU 6 HB2 LEU 6 5.674 0.835 1.300
193 HB3 LEU 6 HB3 LEU 6 4.822 2.016 2.271
194 HD11 LEU 6 HD11 LEU 6 6.699 2.234 -0.858
195 HD12 LEU 6 HD12 LEU 6 6.244 3.907 -0.541
196 HD13 LEU 6 HD13 LEU 6 5.440 3.003 -1.823
197 HD21 LEU 6 HD21 LEU 6 3.888 0.534 0.169
198 HD22 LEU 6 HD22 LEU 6 4.482 1.042 -1.412
199 HD23 LEU 6 HD23 LEU 6 3.014 1.760 -0.749
200 H CYS 7 H CYS 7 5.055 4.149 2.584
201 HA CYS 7 HA CYS 7 4.743 4.159 5.191
202 HB2 CYS 7 HB2 CYS 7 7.579 4.979 4.723
203 HB3 CYS 7 HB3 CYS 7 6.692 5.825 5.981
204 H GLY 8 H GLY 8 3.456 5.856 5.730
205 HA2 GLY 8 HA2 GLY 8 2.428 7.958 5.605
206 HA3 GLY 8 HA3 GLY 8 3.924 8.566 4.902
207 H SER 9 H SER 9 2.888 9.806 3.316
208 HA SER 9 HA SER 9 0.774 9.061 1.642
209 HG SER 9 HG SER 9 0.773 11.283 2.224
210 HB2 SER 9 HB2 SER 9 3.021 10.984 1.464
211 HB3 SER 9 HB3 SER 9 2.267 10.552 -0.067
212 H ASP 10 H ASP 10 4.137 8.115 1.489
213 HA ASP 10 HA ASP 10 4.281 7.143 -1.155
214 HB2 ASP 10 HB2 ASP 10 5.451 5.745 1.257
215 HB3 ASP 10 HB3 ASP 10 6.071 5.737 -0.395
216 H LEU 11 H LEU 11 2.982 5.609 1.757
217 HA LEU 11 HA LEU 11 2.285 3.131 0.457
218 HG LEU 11 HG LEU 11 0.028 2.128 2.500
219 HB2 LEU 11 HB2 LEU 11 2.539 3.688 2.990
220 HB3 LEU 11 HB3 LEU 11 0.880 4.261 2.872
221 HD11 LEU 11 HD11 LEU 11 2.788 1.388 1.488
222 HD12 LEU 11 HD12 LEU 11 1.287 1.445 0.564
223 HD13 LEU 11 HD13 LEU 11 1.525 0.193 1.783
224 HD21 LEU 11 HD21 LEU 11 0.627 1.247 4.483
225 HD22 LEU 11 HD22 LEU 11 1.912 2.453 4.554
226 HD23 LEU 11 HD23 LEU 11 2.238 0.856 3.880
227 H VAL 12 H VAL 12 0.399 6.061 1.293
228 HA VAL 12 HA VAL 12 -2.008 5.019 0.084
229 HB VAL 12 HB VAL 12 -3.008 7.011 0.657
230 HG11 VAL 12 HG11 VAL 12 -2.166 7.712 2.740
231 HG12 VAL 12 HG12 VAL 12 -0.492 7.453 2.250
232 HG13 VAL 12 HG13 VAL 12 -1.543 6.072 2.561
233 HG21 VAL 12 HG21 VAL 12 -0.400 8.484 0.168
234 HG22 VAL 12 HG22 VAL 12 -1.970 9.213 0.504
235 HG23 VAL 12 HG23 VAL 12 -1.706 8.346 -1.009
236 H GLU 13 H GLU 13 0.587 7.165 -1.082
237 HA GLU 13 HA GLU 13 -0.421 7.872 -3.576
238 HB2 GLU 13 HB2 GLU 13 1.719 8.508 -4.044
239 HB3 GLU 13 HB3 GLU 13 2.043 8.047 -2.377
240 HG2 GLU 13 HG2 GLU 13 2.692 5.781 -3.131
241 HG3 GLU 13 HG3 GLU 13 2.371 6.247 -4.800
242 H ALA 14 H ALA 14 0.851 4.735 -2.546
243 HA ALA 14 HA ALA 14 0.480 3.598 -5.237
244 HB1 ALA 14 HB1 ALA 14 0.934 1.890 -2.822
245 HB2 ALA 14 HB2 ALA 14 2.247 2.945 -3.345
246 HB3 ALA 14 HB3 ALA 14 1.601 1.729 -4.447
247 H LEU 15 H LEU 15 -0.888 3.128 -1.963
248 HA LEU 15 HA LEU 15 -2.929 1.327 -2.677
249 HG LEU 15 HG LEU 15 -1.196 1.995 0.023
250 HB2 LEU 15 HB2 LEU 15 -2.870 3.505 -0.575
251 HB3 LEU 15 HB3 LEU 15 -4.122 2.267 -0.649
252 HD11 LEU 15 HD11 LEU 15 -3.656 1.836 1.389
253 HD12 LEU 15 HD12 LEU 15 -2.044 1.515 2.028
254 HD13 LEU 15 HD13 LEU 15 -2.999 0.200 1.343
255 HD21 LEU 15 HD21 LEU 15 -2.940 -0.283 -0.989
256 HD22 LEU 15 HD22 LEU 15 -1.323 -0.452 -0.306
257 HD23 LEU 15 HD23 LEU 15 -1.549 0.394 -1.836
258 H TYR 16 H TYR 16 -2.767 4.843 -2.960
259 HA TYR 16 HA TYR 16 -5.554 5.222 -3.634
260 HD1 TYR 16 HD1 TYR 16 -6.676 7.251 -4.751
261 HD2 TYR 16 HD2 TYR 16 -3.997 8.114 -1.503
262 HE1 TYR 16 HE1 TYR 16 -8.462 8.551 -3.623
263 HE2 TYR 16 HE2 TYR 16 -5.784 9.416 -0.375
264 HH TYR 16 HH TYR 16 -8.641 9.226 -0.640
265 HB2 TYR 16 HB2 TYR 16 -3.227 6.864 -3.308
266 HB3 TYR 16 HB3 TYR 16 -3.953 7.235 -4.867
267 H LEU 17 H LEU 17 -2.594 5.148 -5.650
268 HA LEU 17 HA LEU 17 -3.963 5.332 -8.141
269 HG LEU 17 HG LEU 17 -0.932 5.022 -9.966
270 HB2 LEU 17 HB2 LEU 17 -1.328 5.284 -7.354
271 HB3 LEU 17 HB3 LEU 17 -1.493 3.720 -8.142
272 HD11 LEU 17 HD11 LEU 17 -3.296 4.072 -10.235
273 HD12 LEU 17 HD12 LEU 17 -2.849 5.383 -11.324
274 HD13 LEU 17 HD13 LEU 17 -3.875 5.710 -9.929
275 HD21 LEU 17 HD21 LEU 17 -1.068 7.324 -10.066
276 HD22 LEU 17 HD22 LEU 17 -1.137 7.104 -8.318
277 HD23 LEU 17 HD23 LEU 17 -2.621 7.376 -9.232
278 H VAL 18 H VAL 18 -3.400 2.655 -5.999
279 HA VAL 18 HA VAL 18 -4.338 0.733 -8.060
280 HB VAL 18 HB VAL 18 -3.562 -1.001 -6.614
281 HG11 VAL 18 HG11 VAL 18 -1.271 0.214 -5.826
282 HG12 VAL 18 HG12 VAL 18 -1.863 1.389 -6.999
283 HG13 VAL 18 HG13 VAL 18 -1.588 -0.282 -7.488
284 HG21 VAL 18 HG21 VAL 18 -2.519 0.247 -4.341
285 HG22 VAL 18 HG22 VAL 18 -3.964 -0.758 -4.403
286 HG23 VAL 18 HG23 VAL 18 -4.100 0.991 -4.554
287 H CYS 19 H CYS 19 -5.287 2.296 -5.099
288 HA CYS 19 HA CYS 19 -7.885 0.840 -5.217
289 HB2 CYS 19 HB2 CYS 19 -6.821 2.295 -2.795
290 HB3 CYS 19 HB3 CYS 19 -8.069 1.055 -2.865
291 H GLY 20 H GLY 20 -7.125 3.203 -6.766
292 HA2 GLY 20 HA2 GLY 20 -7.829 5.694 -5.855
293 HA3 GLY 20 HA3 GLY 20 -8.300 5.129 -7.456
294 H GLU 21 H GLU 21 -10.423 4.258 -7.741
295 HA GLU 21 HA GLU 21 -12.407 5.444 -5.980
296 HB2 GLU 21 HB2 GLU 21 -12.600 5.117 -8.513
297 HB3 GLU 21 HB3 GLU 21 -12.940 3.422 -8.164
298 HG2 GLU 21 HG2 GLU 21 -14.966 3.899 -7.128
299 HG3 GLU 21 HG3 GLU 21 -14.482 5.541 -6.708
300 H ARG 22 H ARG 22 -10.930 2.290 -6.262
301 HA ARG 22 HA ARG 22 -13.008 0.863 -4.847
302 HE ARG 22 HE ARG 22 -12.474 -3.467 -5.983
303 HB2 ARG 22 HB2 ARG 22 -10.194 0.325 -5.700
304 HB3 ARG 22 HB3 ARG 22 -10.888 -0.695 -4.445
305 HG2 ARG 22 HG2 ARG 22 -12.163 -0.170 -7.143
306 HG3 ARG 22 HG3 ARG 22 -11.263 -1.627 -6.722
307 HD2 ARG 22 HD2 ARG 22 -13.096 -1.349 -4.640
308 HD3 ARG 22 HD3 ARG 22 -14.016 -0.907 -6.079
309 HH11 ARG 22 HH11 ARG 22 -15.507 -2.462 -5.187
310 HH12 ARG 22 HH12 ARG 22 -16.355 -3.408 -6.364
311 HH21 ARG 22 HH21 ARG 22 -13.484 -4.333 -8.076
312 HH22 ARG 22 HH22 ARG 22 -15.209 -4.467 -8.002
313 H GLY 23 H GLY 23 -10.840 3.228 -3.864
314 HA2 GLY 23 HA2 GLY 23 -10.175 3.979 -1.742
315 HA3 GLY 23 HA3 GLY 23 -11.523 3.034 -1.108
316 H PHE 24 H PHE 24 -8.644 3.356 -0.152
317 HA PHE 24 HA PHE 24 -7.829 0.490 -0.323
318 HD1 PHE 24 HD1 PHE 24 -6.647 3.899 -1.834
319 HD2 PHE 24 HD2 PHE 24 -5.915 3.335 2.363
320 HE1 PHE 24 HE1 PHE 24 -6.570 6.359 -1.517
321 HE2 PHE 24 HE2 PHE 24 -5.835 5.795 2.680
322 HZ PHE 24 HZ PHE 24 -6.154 7.308 0.736
323 HB2 PHE 24 HB2 PHE 24 -5.677 1.492 0.783
324 HB3 PHE 24 HB3 PHE 24 -5.951 1.722 -0.942
325 H PHE 25 H PHE 25 -6.572 -0.119 1.858
326 HA PHE 25 HA PHE 25 -8.299 0.754 4.140
327 HD1 PHE 25 HD1 PHE 25 -8.215 -0.016 6.288
328 HD2 PHE 25 HD2 PHE 25 -10.343 -2.811 3.812
329 HE1 PHE 25 HE1 PHE 25 -10.055 -0.089 7.951
330 HE2 PHE 25 HE2 PHE 25 -12.183 -2.885 5.475
331 HZ PHE 25 HZ PHE 25 -12.039 -1.524 7.544
332 HB2 PHE 25 HB2 PHE 25 -8.404 -1.729 2.978
333 HB3 PHE 25 HB3 PHE 25 -7.228 -1.991 4.267
334 H TYR 26 H TYR 26 -6.221 2.213 4.221
335 HA TYR 26 HA TYR 26 -3.718 1.092 5.020
336 HD1 TYR 26 HD1 TYR 26 -1.972 1.507 5.396
337 HD2 TYR 26 HD2 TYR 26 -3.311 5.377 6.704
338 HE1 TYR 26 HE1 TYR 26 0.233 1.912 6.456
339 HE2 TYR 26 HE2 TYR 26 -1.104 5.780 7.764
340 HH TYR 26 HH TYR 26 1.515 4.477 7.102
341 HB2 TYR 26 HB2 TYR 26 -4.080 3.470 4.291
342 HB3 TYR 26 HB3 TYR 26 -4.878 3.775 5.831
343 H THR 27 H THR 27 -3.057 0.288 6.998
344 HA THR 27 HA THR 27 -4.943 0.653 9.291
345 HB THR 27 HB THR 27 -4.184 -1.639 10.030
346 HG1 THR 27 HG1 THR 27 -3.247 -2.903 8.332
347 HG21 THR 27 HG21 THR 27 -5.416 -1.744 7.280
348 HG22 THR 27 HG22 THR 27 -6.298 -1.095 8.662
349 HG23 THR 27 HG23 THR 27 -5.754 -2.773 8.671
350 H LYS 28 H LYS 28 -3.969 0.941 11.335
351 HA LYS 28 HA LYS 28 -1.070 0.797 11.612
352 HB2 LYS 28 HB2 LYS 28 -2.206 3.251 10.788
353 HB3 LYS 28 HB3 LYS 28 -1.815 3.427 12.492
354 HG2 LYS 28 HG2 LYS 28 0.458 2.462 11.987
355 HG3 LYS 28 HG3 LYS 28 0.059 2.587 10.278
356 HD2 LYS 28 HD2 LYS 28 0.694 4.743 12.246
357 HD3 LYS 28 HD3 LYS 28 1.137 4.614 10.546
358 HE2 LYS 28 HE2 LYS 28 -0.445 6.259 10.334
359 HE3 LYS 28 HE3 LYS 28 -1.536 4.878 10.273
360 HZ1 LYS 28 HZ1 LYS 28 -1.773 6.888 12.011
361 HZ2 LYS 28 HZ2 LYS 28 -0.845 5.801 12.931
362 HZ3 LYS 28 HZ3 LYS 28 -2.349 5.320 12.304
363 HA PRO 29 HA PRO 29 -2.919 1.895 15.780
364 HB2 PRO 29 HB2 PRO 29 -5.339 3.144 15.941
365 HB3 PRO 29 HB3 PRO 29 -3.819 3.996 15.592
366 HG2 PRO 29 HG2 PRO 29 -6.062 3.383 13.747
367 HG3 PRO 29 HG3 PRO 29 -4.851 4.673 13.663
368 HD2 PRO 29 HD2 PRO 29 -4.846 2.197 12.235
369 HD3 PRO 29 HD3 PRO 29 -3.590 3.442 12.243
370 H THR 30 H THR 30 -3.206 -0.568 15.346
371 HA THR 30 HA THR 30 -6.074 -1.373 15.582
372 HB THR 30 HB THR 30 -3.718 -3.176 14.980
373 HG1 THR 30 HG1 THR 30 -3.696 -2.028 13.205
374 HG21 THR 30 HG21 THR 30 -6.140 -3.921 15.772
375 HG22 THR 30 HG22 THR 30 -5.293 -4.801 14.500
376 HG23 THR 30 HG23 THR 30 -6.535 -3.621 14.080
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 -0.840 -2.481 9.701
2 H2 GLY 1 H2 GLY 1 -1.060 -3.460 11.071
3 H3 GLY 1 H3 GLY 1 -1.948 -3.766 9.656
4 HA2 GLY 1 HA2 GLY 1 0.948 -4.097 9.865
5 HA3 GLY 1 HA3 GLY 1 -0.212 -5.459 9.889
6 H ILE 2 H ILE 2 -1.061 -3.589 7.429
7 HA ILE 2 HA ILE 2 0.751 -4.435 5.459
8 HB ILE 2 HB ILE 2 -1.300 -3.682 4.617
9 HG12 ILE 2 HG12 ILE 2 0.693 -1.439 4.153
10 HG13 ILE 2 HG13 ILE 2 0.482 -2.882 3.162
11 HG21 ILE 2 HG21 ILE 2 -1.149 -1.860 6.805
12 HG22 ILE 2 HG22 ILE 2 -2.539 -2.220 5.783
13 HG23 ILE 2 HG23 ILE 2 -1.434 -0.919 5.341
14 HD11 ILE 2 HD11 ILE 2 -1.992 -1.335 3.575
15 HD12 ILE 2 HD12 ILE 2 -1.328 -2.025 2.094
16 HD13 ILE 2 HD13 ILE 2 -0.739 -0.472 2.683
17 HA ABA 3 HA ABA 3 2.734 0.041 5.441
18 H ABA 3 H ABA 3 0.510 -1.061 6.537
19 HB2 ABA 3 HB2 ABA 3 2.227 0.510 8.364
20 HB3 ABA 3 HB3 ABA 3 2.703 1.663 7.125
21 HG1 ABA 3 HG1 ABA 3 0.439 2.173 7.395
22 HG2 ABA 3 HG2 ABA 3 -0.006 0.486 7.654
23 HG3 ABA 3 HG3 ABA 3 0.400 1.051 6.034
24 H GLU 4 H GLU 4 2.857 -1.476 8.649
25 HA GLU 4 HA GLU 4 5.594 -1.412 9.074
26 HB2 GLU 4 HB2 GLU 4 4.525 -2.286 10.893
27 HB3 GLU 4 HB3 GLU 4 3.340 -3.129 9.907
28 HG2 GLU 4 HG2 GLU 4 4.657 -5.005 9.667
29 HG3 GLU 4 HG3 GLU 4 6.160 -4.101 9.852
30 H GLN 5 H GLN 5 3.777 -3.570 6.942
31 HA GLN 5 HA GLN 5 6.261 -5.052 6.271
32 HB2 GLN 5 HB2 GLN 5 3.657 -5.889 6.496
33 HB3 GLN 5 HB3 GLN 5 3.795 -5.645 4.754
34 HG2 GLN 5 HG2 GLN 5 4.436 -7.942 5.342
35 HG3 GLN 5 HG3 GLN 5 5.836 -7.057 4.734
36 HE21 GLN 5 HE21 GLN 5 4.497 -8.674 7.531
37 HE22 GLN 5 HE22 GLN 5 5.822 -8.420 8.560
38 H CYS 6 H CYS 6 3.961 -2.765 4.905
39 HA CYS 6 HA CYS 6 5.355 -2.729 2.301
40 HB2 CYS 6 HB2 CYS 6 2.866 -1.429 3.436
41 HB3 CYS 6 HB3 CYS 6 3.538 -0.927 1.904
42 H CYS 7 H CYS 7 6.314 -1.703 5.095
43 HA CYS 7 HA CYS 7 7.273 0.927 4.086
44 HB2 CYS 7 HB2 CYS 7 5.413 1.310 5.667
45 HB3 CYS 7 HB3 CYS 7 6.284 0.398 6.884
46 H THR 8 H THR 8 7.850 -1.934 6.063
47 HA THR 8 HA THR 8 10.541 -0.946 6.802
48 HB THR 8 HB THR 8 10.692 -2.905 8.190
49 HG1 THR 8 HG1 THR 8 9.127 -4.541 8.020
50 HG21 THR 8 HG21 THR 8 7.969 -1.611 8.158
51 HG22 THR 8 HG22 THR 8 9.314 -1.306 9.257
52 HG23 THR 8 HG23 THR 8 8.401 -2.811 9.376
53 H SER 9 H SER 9 8.973 -2.950 4.462
54 HA SER 9 HA SER 9 11.659 -3.741 3.409
55 HG SER 9 HG SER 9 11.260 -5.433 4.961
56 HB2 SER 9 HB2 SER 9 9.112 -5.372 3.156
57 HB3 SER 9 HB3 SER 9 10.721 -5.840 2.613
58 H ILE 10 H ILE 10 9.045 -4.727 1.442
59 HA ILE 10 HA ILE 10 9.016 -2.156 -0.032
60 HB ILE 10 HB ILE 10 10.075 -4.786 -1.030
61 HG12 ILE 10 HG12 ILE 10 11.509 -2.938 -2.268
62 HG13 ILE 10 HG13 ILE 10 10.904 -1.919 -0.961
63 HG21 ILE 10 HG21 ILE 10 8.219 -4.250 -2.541
64 HG22 ILE 10 HG22 ILE 10 9.764 -3.978 -3.349
65 HG23 ILE 10 HG23 ILE 10 8.837 -2.609 -2.734
66 HD11 ILE 10 HD11 ILE 10 12.530 -2.773 0.345
67 HD12 ILE 10 HD12 ILE 10 12.955 -3.970 -0.879
68 HD13 ILE 10 HD13 ILE 10 11.673 -4.312 0.283
69 H CYS 11 H CYS 11 7.308 -2.178 -1.746
70 HA CYS 11 HA CYS 11 5.303 -4.304 -1.645
71 HB2 CYS 11 HB2 CYS 11 4.986 -1.837 -0.069
72 HB3 CYS 11 HB3 CYS 11 3.604 -2.262 -1.079
73 H SER 12 H SER 12 4.887 -4.525 -3.744
74 HA SER 12 HA SER 12 5.228 -2.325 -5.632
75 HG SER 12 HG SER 12 5.453 -6.075 -5.788
76 HB2 SER 12 HB2 SER 12 4.076 -4.295 -7.095
77 HB3 SER 12 HB3 SER 12 5.799 -4.233 -6.735
78 H LEU 13 H LEU 13 3.584 -1.699 -7.133
79 HA LEU 13 HA LEU 13 1.202 -0.756 -5.948
80 HG LEU 13 HG LEU 13 0.883 -2.326 -9.127
81 HB2 LEU 13 HB2 LEU 13 0.608 -0.006 -8.136
82 HB3 LEU 13 HB3 LEU 13 2.369 0.077 -8.055
83 HD11 LEU 13 HD11 LEU 13 0.909 0.149 -10.318
84 HD12 LEU 13 HD12 LEU 13 0.711 -1.388 -11.163
85 HD13 LEU 13 HD13 LEU 13 2.306 -0.644 -11.045
86 HD21 LEU 13 HD21 LEU 13 3.752 -1.427 -9.032
87 HD22 LEU 13 HD22 LEU 13 3.209 -2.553 -10.277
88 HD23 LEU 13 HD23 LEU 13 3.067 -2.986 -8.573
89 H TYR 14 H TYR 14 1.867 -3.961 -6.918
90 HA TYR 14 HA TYR 14 -1.036 -4.424 -7.398
91 HD1 TYR 14 HD1 TYR 14 -2.172 -6.689 -8.522
92 HD2 TYR 14 HD2 TYR 14 1.723 -8.031 -7.297
93 HE1 TYR 14 HE1 TYR 14 -3.086 -8.956 -8.094
94 HE2 TYR 14 HE2 TYR 14 0.808 -10.297 -6.869
95 HH TYR 14 HH TYR 14 -1.181 -11.665 -7.714
96 HB2 TYR 14 HB2 TYR 14 0.064 -5.489 -9.167
97 HB3 TYR 14 HB3 TYR 14 1.474 -5.874 -8.184
98 H GLN 15 H GLN 15 1.680 -5.113 -5.424
99 HA GLN 15 HA GLN 15 0.396 -7.026 -3.676
100 HB2 GLN 15 HB2 GLN 15 2.862 -5.381 -3.813
101 HB3 GLN 15 HB3 GLN 15 2.313 -5.781 -2.189
102 HG2 GLN 15 HG2 GLN 15 2.844 -7.757 -4.421
103 HG3 GLN 15 HG3 GLN 15 3.880 -7.487 -3.020
104 HE21 GLN 15 HE21 GLN 15 3.187 -8.351 -0.956
105 HE22 GLN 15 HE22 GLN 15 1.869 -9.412 -0.820
106 H LEU 16 H LEU 16 0.694 -3.582 -4.018
107 HA LEU 16 HA LEU 16 -0.662 -2.948 -1.498
108 HG LEU 16 HG LEU 16 2.059 -2.258 -2.723
109 HB2 LEU 16 HB2 LEU 16 0.165 -1.254 -3.875
110 HB3 LEU 16 HB3 LEU 16 -0.464 -0.627 -2.355
111 HD11 LEU 16 HD11 LEU 16 1.630 0.583 -1.766
112 HD12 LEU 16 HD12 LEU 16 2.254 0.121 -3.350
113 HD13 LEU 16 HD13 LEU 16 3.182 -0.244 -1.896
114 HD21 LEU 16 HD21 LEU 16 0.380 -1.641 -0.362
115 HD22 LEU 16 HD22 LEU 16 2.114 -1.395 -0.150
116 HD23 LEU 16 HD23 LEU 16 1.499 -2.977 -0.632
117 H GLU 17 H GLU 17 -1.382 -3.631 -4.784
118 HA GLU 17 HA GLU 17 -3.967 -2.364 -4.901
119 HB2 GLU 17 HB2 GLU 17 -2.658 -3.047 -6.906
120 HB3 GLU 17 HB3 GLU 17 -2.877 -4.733 -6.445
121 HG2 GLU 17 HG2 GLU 17 -5.358 -4.384 -6.551
122 HG3 GLU 17 HG3 GLU 17 -5.060 -2.758 -7.168
123 H ASN 18 H ASN 18 -2.680 -5.273 -3.518
124 HA ASN 18 HA ASN 18 -5.183 -6.745 -3.427
125 HB2 ASN 18 HB2 ASN 18 -2.535 -7.002 -2.005
126 HB3 ASN 18 HB3 ASN 18 -3.907 -8.022 -1.569
127 HD21 ASN 18 HD21 ASN 18 -4.290 -9.837 -2.874
128 HD22 ASN 18 HD22 ASN 18 -3.528 -10.127 -4.363
129 H TYR 19 H TYR 19 -4.295 -3.927 -1.896
130 HA TYR 19 HA TYR 19 -5.834 -4.600 0.570
131 HD1 TYR 19 HD1 TYR 19 -4.564 -4.401 2.959
132 HD2 TYR 19 HD2 TYR 19 -1.980 -3.580 -0.372
133 HE1 TYR 19 HE1 TYR 19 -2.839 -5.901 3.926
134 HE2 TYR 19 HE2 TYR 19 -0.254 -5.077 0.593
135 HH TYR 19 HH TYR 19 -0.186 -6.041 3.692
136 HB2 TYR 19 HB2 TYR 19 -3.966 -2.302 -0.061
137 HB3 TYR 19 HB3 TYR 19 -4.909 -2.425 1.426
138 H CYS 20 H CYS 20 -7.013 -3.997 -2.146
139 HA CYS 20 HA CYS 20 -8.364 -1.415 -1.550
140 HB2 CYS 20 HB2 CYS 20 -8.648 -3.103 -4.048
141 HB3 CYS 20 HB3 CYS 20 -9.085 -1.412 -3.832
142 H ASN 21 H ASN 21 -10.678 -1.297 -1.499
143 HA ASN 21 HA ASN 21 -12.740 -2.062 -0.672
144 HB2 ASN 21 HB2 ASN 21 -13.004 -2.825 -2.951
145 HB3 ASN 21 HB3 ASN 21 -12.003 -4.244 -2.641
146 HD21 ASN 21 HD21 ASN 21 -15.066 -2.704 -1.524
147 HD22 ASN 21 HD22 ASN 21 -15.843 -4.169 -1.161
148 HA PHE 1 HA PHE 1 8.331 -1.876 -12.215
149 HD1 PHE 1 HD1 PHE 1 5.896 -2.785 -12.108
150 HD2 PHE 1 HD2 PHE 1 8.566 -6.152 -12.129
151 HE1 PHE 1 HE1 PHE 1 4.399 -3.961 -13.699
152 HE2 PHE 1 HE2 PHE 1 7.070 -7.329 -13.720
153 HZ PHE 1 HZ PHE 1 4.986 -6.233 -14.505
154 H1 PHE 1 H1 PHE 1 10.256 -4.095 -12.525
155 H2 PHE 1 H2 PHE 1 10.582 -2.556 -13.164
156 H3 PHE 1 H3 PHE 1 9.218 -3.423 -13.686
157 HB2 PHE 1 HB2 PHE 1 8.927 -4.383 -10.611
158 HB3 PHE 1 HB3 PHE 1 7.644 -3.224 -10.265
159 H VAL 2 H VAL 2 8.483 -1.627 -9.488
160 HA VAL 2 HA VAL 2 11.217 -0.486 -9.129
161 HB VAL 2 HB VAL 2 9.998 0.784 -7.225
162 HG11 VAL 2 HG11 VAL 2 9.737 2.545 -8.676
163 HG12 VAL 2 HG12 VAL 2 8.824 1.585 -9.841
164 HG13 VAL 2 HG13 VAL 2 10.582 1.449 -9.770
165 HG21 VAL 2 HG21 VAL 2 7.509 0.452 -8.808
166 HG22 VAL 2 HG22 VAL 2 7.716 0.667 -7.069
167 HG23 VAL 2 HG23 VAL 2 7.960 -0.921 -7.797
168 H ASN 3 H ASN 3 11.586 -0.346 -6.516
169 HA ASN 3 HA ASN 3 10.683 -2.746 -5.111
170 HB2 ASN 3 HB2 ASN 3 13.116 -2.778 -6.656
171 HB3 ASN 3 HB3 ASN 3 13.486 -2.992 -4.947
172 HD21 ASN 3 HD21 ASN 3 10.936 -4.162 -7.239
173 HD22 ASN 3 HD22 ASN 3 10.986 -5.768 -6.693
174 H GLN 4 H GLN 4 10.213 -0.334 -4.201
175 HA GLN 4 HA GLN 4 12.344 0.200 -2.179
176 HB2 GLN 4 HB2 GLN 4 12.018 2.014 -3.899
177 HB3 GLN 4 HB3 GLN 4 10.370 2.207 -3.298
178 HG2 GLN 4 HG2 GLN 4 11.063 3.066 -1.262
179 HG3 GLN 4 HG3 GLN 4 12.630 2.260 -1.339
180 HE21 GLN 4 HE21 GLN 4 10.764 4.861 -2.991
181 HE22 GLN 4 HE22 GLN 4 12.126 5.798 -3.377
182 H HIS 5 H HIS 5 11.407 1.309 -0.182
183 HA HIS 5 HA HIS 5 9.111 -0.271 0.749
184 HD2 HIS 5 HD2 HIS 5 11.953 -0.995 0.410
185 HE1 HIS 5 HE1 HIS 5 14.865 0.834 2.870
186 HE2 HIS 5 HE2 HIS 5 14.487 -0.839 0.981
187 HB2 HIS 5 HB2 HIS 5 10.225 1.846 2.503
188 HB3 HIS 5 HB3 HIS 5 9.868 0.160 2.865
189 H LEU 6 H LEU 6 7.544 1.150 2.245
190 HA LEU 6 HA LEU 6 6.866 3.678 0.840
191 HG LEU 6 HG LEU 6 3.995 3.697 -0.140
192 HB2 LEU 6 HB2 LEU 6 5.475 1.209 0.610
193 HB3 LEU 6 HB3 LEU 6 4.471 2.244 1.604
194 HD11 LEU 6 HD11 LEU 6 6.759 2.997 -1.143
195 HD12 LEU 6 HD12 LEU 6 6.127 4.576 -0.676
196 HD13 LEU 6 HD13 LEU 6 5.598 3.823 -2.181
197 HD21 LEU 6 HD21 LEU 6 4.857 1.479 -1.963
198 HD22 LEU 6 HD22 LEU 6 3.367 2.421 -1.969
199 HD23 LEU 6 HD23 LEU 6 3.612 1.167 -0.753
200 H CYS 7 H CYS 7 5.105 4.879 2.090
201 HA CYS 7 HA CYS 7 4.264 4.416 4.669
202 HB2 CYS 7 HB2 CYS 7 7.125 4.670 4.639
203 HB3 CYS 7 HB3 CYS 7 6.441 6.036 5.509
204 H GLY 8 H GLY 8 3.155 6.215 5.463
205 HA2 GLY 8 HA2 GLY 8 2.315 8.410 5.500
206 HA3 GLY 8 HA3 GLY 8 3.798 8.927 4.699
207 H SER 9 H SER 9 2.763 10.252 3.163
208 HA SER 9 HA SER 9 0.491 9.551 1.624
209 HG SER 9 HG SER 9 3.153 12.484 1.231
210 HB2 SER 9 HB2 SER 9 2.071 11.110 -0.067
211 HB3 SER 9 HB3 SER 9 0.861 11.703 1.067
212 H ASP 10 H ASP 10 3.808 8.548 1.349
213 HA ASP 10 HA ASP 10 3.779 7.698 -1.384
214 HB2 ASP 10 HB2 ASP 10 5.286 6.325 0.852
215 HB3 ASP 10 HB3 ASP 10 5.740 6.433 -0.849
216 H LEU 11 H LEU 11 2.653 6.198 1.599
217 HA LEU 11 HA LEU 11 2.106 3.642 0.312
218 HG LEU 11 HG LEU 11 -0.041 2.591 2.378
219 HB2 LEU 11 HB2 LEU 11 2.611 3.975 2.786
220 HB3 LEU 11 HB3 LEU 11 0.987 4.644 2.937
221 HD11 LEU 11 HD11 LEU 11 0.997 1.752 0.478
222 HD12 LEU 11 HD12 LEU 11 1.622 0.635 1.692
223 HD13 LEU 11 HD13 LEU 11 2.617 1.981 1.135
224 HD21 LEU 11 HD21 LEU 11 0.631 2.184 4.545
225 HD22 LEU 11 HD22 LEU 11 2.341 2.378 4.162
226 HD23 LEU 11 HD23 LEU 11 1.507 0.883 3.737
227 H VAL 12 H VAL 12 0.285 6.575 1.059
228 HA VAL 12 HA VAL 12 -2.240 5.328 0.240
229 HB VAL 12 HB VAL 12 -3.277 7.241 0.993
230 HG11 VAL 12 HG11 VAL 12 -1.361 6.399 2.607
231 HG12 VAL 12 HG12 VAL 12 -2.283 7.854 2.990
232 HG13 VAL 12 HG13 VAL 12 -0.678 7.988 2.269
233 HG21 VAL 12 HG21 VAL 12 -0.866 8.784 -0.014
234 HG22 VAL 12 HG22 VAL 12 -2.212 9.526 0.851
235 HG23 VAL 12 HG23 VAL 12 -2.484 8.764 -0.716
236 H GLU 13 H GLU 13 0.151 7.554 -1.140
237 HA GLU 13 HA GLU 13 -1.231 8.192 -3.530
238 HB2 GLU 13 HB2 GLU 13 0.862 8.900 -4.384
239 HB3 GLU 13 HB3 GLU 13 1.006 9.122 -2.641
240 HG2 GLU 13 HG2 GLU 13 2.204 7.014 -2.429
241 HG3 GLU 13 HG3 GLU 13 1.977 6.673 -4.144
242 H ALA 14 H ALA 14 0.577 5.317 -2.586
243 HA ALA 14 HA ALA 14 0.442 4.143 -5.266
244 HB1 ALA 14 HB1 ALA 14 1.509 2.235 -4.294
245 HB2 ALA 14 HB2 ALA 14 0.994 2.687 -2.668
246 HB3 ALA 14 HB3 ALA 14 2.233 3.631 -3.495
247 H LEU 15 H LEU 15 -1.160 3.695 -2.115
248 HA LEU 15 HA LEU 15 -2.976 1.677 -2.974
249 HG LEU 15 HG LEU 15 -1.437 2.067 -0.344
250 HB2 LEU 15 HB2 LEU 15 -3.045 3.754 -0.788
251 HB3 LEU 15 HB3 LEU 15 -4.355 2.592 -0.991
252 HD11 LEU 15 HD11 LEU 15 -3.037 0.500 1.255
253 HD12 LEU 15 HD12 LEU 15 -3.997 1.967 1.059
254 HD13 LEU 15 HD13 LEU 15 -2.358 2.065 1.703
255 HD21 LEU 15 HD21 LEU 15 -2.007 -0.391 -0.508
256 HD22 LEU 15 HD22 LEU 15 -1.947 0.432 -2.065
257 HD23 LEU 15 HD23 LEU 15 -3.503 0.064 -1.323
258 H TYR 16 H TYR 16 -3.357 5.223 -2.708
259 HA TYR 16 HA TYR 16 -5.985 5.432 -3.694
260 HD1 TYR 16 HD1 TYR 16 -7.225 7.480 -4.669
261 HD2 TYR 16 HD2 TYR 16 -4.504 8.256 -1.435
262 HE1 TYR 16 HE1 TYR 16 -9.039 8.622 -3.420
263 HE2 TYR 16 HE2 TYR 16 -6.318 9.399 -0.185
264 HH TYR 16 HH TYR 16 -9.270 10.299 -1.638
265 HB2 TYR 16 HB2 TYR 16 -3.715 7.201 -3.361
266 HB3 TYR 16 HB3 TYR 16 -4.547 7.555 -4.872
267 H LEU 17 H LEU 17 -2.986 4.760 -5.389
268 HA LEU 17 HA LEU 17 -4.241 5.086 -8.028
269 HG LEU 17 HG LEU 17 -1.141 4.941 -9.735
270 HB2 LEU 17 HB2 LEU 17 -1.651 5.303 -7.135
271 HB3 LEU 17 HB3 LEU 17 -1.643 3.702 -7.864
272 HD11 LEU 17 HD11 LEU 17 -3.617 3.961 -9.832
273 HD12 LEU 17 HD12 LEU 17 -2.966 4.928 -11.154
274 HD13 LEU 17 HD13 LEU 17 -4.032 5.670 -9.962
275 HD21 LEU 17 HD21 LEU 17 -2.109 7.286 -10.065
276 HD22 LEU 17 HD22 LEU 17 -0.979 7.093 -8.724
277 HD23 LEU 17 HD23 LEU 17 -2.714 7.159 -8.414
278 H VAL 18 H VAL 18 -3.004 2.462 -6.004
279 HA VAL 18 HA VAL 18 -3.651 0.368 -7.879
280 HB VAL 18 HB VAL 18 -3.042 -1.154 -6.174
281 HG11 VAL 18 HG11 VAL 18 -1.531 1.237 -6.557
282 HG12 VAL 18 HG12 VAL 18 -0.939 -0.373 -6.155
283 HG13 VAL 18 HG13 VAL 18 -1.370 0.753 -4.869
284 HG21 VAL 18 HG21 VAL 18 -2.866 -0.161 -3.741
285 HG22 VAL 18 HG22 VAL 18 -4.429 -0.704 -4.346
286 HG23 VAL 18 HG23 VAL 18 -4.035 1.011 -4.346
287 H CYS 19 H CYS 19 -5.421 1.952 -5.280
288 HA CYS 19 HA CYS 19 -7.702 0.100 -5.740
289 HB2 CYS 19 HB2 CYS 19 -7.379 2.215 -3.597
290 HB3 CYS 19 HB3 CYS 19 -8.600 0.944 -3.654
291 H GLY 20 H GLY 20 -6.874 3.560 -5.758
292 HA2 GLY 20 HA2 GLY 20 -8.064 5.394 -6.629
293 HA3 GLY 20 HA3 GLY 20 -8.514 4.268 -7.912
294 H GLU 21 H GLU 21 -10.667 3.907 -8.115
295 HA GLU 21 HA GLU 21 -12.534 4.956 -6.154
296 HB2 GLU 21 HB2 GLU 21 -12.645 4.165 -8.864
297 HB3 GLU 21 HB3 GLU 21 -13.763 3.106 -8.003
298 HG2 GLU 21 HG2 GLU 21 -14.413 5.442 -6.834
299 HG3 GLU 21 HG3 GLU 21 -13.867 6.056 -8.394
300 H ARG 22 H ARG 22 -10.844 2.004 -6.475
301 HA ARG 22 HA ARG 22 -12.834 0.293 -5.227
302 HE ARG 22 HE ARG 22 -11.552 -2.512 -7.923
303 HB2 ARG 22 HB2 ARG 22 -10.653 -0.265 -6.659
304 HB3 ARG 22 HB3 ARG 22 -9.912 -0.314 -5.060
305 HG2 ARG 22 HG2 ARG 22 -11.478 -1.997 -4.311
306 HG3 ARG 22 HG3 ARG 22 -12.424 -1.843 -5.792
307 HD2 ARG 22 HD2 ARG 22 -9.550 -2.455 -6.178
308 HD3 ARG 22 HD3 ARG 22 -10.504 -3.736 -5.429
309 HH11 ARG 22 HH11 ARG 22 -11.521 -5.255 -6.055
310 HH12 ARG 22 HH12 ARG 22 -11.223 -6.368 -7.348
311 HH21 ARG 22 HH21 ARG 22 -10.557 -3.896 -9.683
312 HH22 ARG 22 HH22 ARG 22 -10.683 -5.599 -9.400
313 H GLY 23 H GLY 23 -10.944 2.818 -4.076
314 HA2 GLY 23 HA2 GLY 23 -10.493 3.581 -1.909
315 HA3 GLY 23 HA3 GLY 23 -11.725 2.445 -1.360
316 H PHE 24 H PHE 24 -8.989 3.128 -0.269
317 HA PHE 24 HA PHE 24 -7.873 0.352 -0.306
318 HD1 PHE 24 HD1 PHE 24 -6.036 3.205 2.150
319 HD2 PHE 24 HD2 PHE 24 -6.927 4.008 -1.977
320 HE1 PHE 24 HE1 PHE 24 -6.059 5.640 2.629
321 HE2 PHE 24 HE2 PHE 24 -6.950 6.443 -1.498
322 HZ PHE 24 HZ PHE 24 -6.509 7.260 0.803
323 HB2 PHE 24 HB2 PHE 24 -5.699 1.491 0.365
324 HB3 PHE 24 HB3 PHE 24 -6.240 1.810 -1.281
325 H PHE 25 H PHE 25 -6.658 -0.143 1.799
326 HA PHE 25 HA PHE 25 -8.151 1.049 4.104
327 HD1 PHE 25 HD1 PHE 25 -10.434 -0.211 3.890
328 HD2 PHE 25 HD2 PHE 25 -7.638 -1.809 6.737
329 HE1 PHE 25 HE1 PHE 25 -12.174 -0.110 5.657
330 HE2 PHE 25 HE2 PHE 25 -9.378 -1.708 8.502
331 HZ PHE 25 HZ PHE 25 -11.646 -0.860 7.963
332 HB2 PHE 25 HB2 PHE 25 -8.265 -1.569 3.251
333 HB3 PHE 25 HB3 PHE 25 -7.015 -1.639 4.493
334 H TYR 26 H TYR 26 -6.494 2.564 4.609
335 HA TYR 26 HA TYR 26 -3.756 1.541 5.076
336 HD1 TYR 26 HD1 TYR 26 -1.507 2.958 4.960
337 HD2 TYR 26 HD2 TYR 26 -4.305 5.462 7.052
338 HE1 TYR 26 HE1 TYR 26 0.325 3.795 6.408
339 HE2 TYR 26 HE2 TYR 26 -2.471 6.298 8.502
340 HH TYR 26 HH TYR 26 0.468 6.320 7.920
341 HB2 TYR 26 HB2 TYR 26 -3.811 3.668 3.997
342 HB3 TYR 26 HB3 TYR 26 -5.001 4.296 5.133
343 H THR 27 H THR 27 -3.504 0.510 7.006
344 HA THR 27 HA THR 27 -4.593 1.867 9.434
345 HB THR 27 HB THR 27 -6.074 0.044 9.202
346 HG1 THR 27 HG1 THR 27 -5.274 -1.488 10.783
347 HG21 THR 27 HG21 THR 27 -5.058 -2.302 8.752
348 HG22 THR 27 HG22 THR 27 -3.638 -1.415 8.201
349 HG23 THR 27 HG23 THR 27 -5.190 -1.180 7.398
350 H LYS 28 H LYS 28 -3.479 0.772 11.452
351 HA LYS 28 HA LYS 28 -0.755 -0.179 10.945
352 HB2 LYS 28 HB2 LYS 28 -1.197 2.596 11.299
353 HB3 LYS 28 HB3 LYS 28 -0.522 1.992 12.805
354 HG2 LYS 28 HG2 LYS 28 1.369 1.030 11.687
355 HG3 LYS 28 HG3 LYS 28 0.669 1.356 10.104
356 HD2 LYS 28 HD2 LYS 28 1.820 3.319 12.087
357 HD3 LYS 28 HD3 LYS 28 2.248 3.095 10.393
358 HE2 LYS 28 HE2 LYS 28 0.928 4.970 10.182
359 HE3 LYS 28 HE3 LYS 28 -0.326 3.738 10.050
360 HZ1 LYS 28 HZ1 LYS 28 -0.296 3.973 12.646
361 HZ2 LYS 28 HZ2 LYS 28 -1.203 5.036 11.679
362 HZ3 LYS 28 HZ3 LYS 28 0.309 5.517 12.286
363 HA PRO 29 HA PRO 29 -1.543 -0.369 15.563
364 HB2 PRO 29 HB2 PRO 29 -3.476 1.180 16.710
365 HB3 PRO 29 HB3 PRO 29 -1.848 1.773 16.322
366 HG2 PRO 29 HG2 PRO 29 -4.416 2.382 14.960
367 HG3 PRO 29 HG3 PRO 29 -2.926 3.338 15.043
368 HD2 PRO 29 HD2 PRO 29 -3.793 1.685 12.889
369 HD3 PRO 29 HD3 PRO 29 -2.241 2.523 13.044
370 H THR 30 H THR 30 -3.332 -1.208 17.189
371 HA THR 30 HA THR 30 -5.050 -3.043 15.684
372 HB THR 30 HB THR 30 -5.664 -3.226 18.426
373 HG1 THR 30 HG1 THR 30 -3.648 -3.192 19.383
374 HG21 THR 30 HG21 THR 30 -5.445 -5.209 17.200
375 HG22 THR 30 HG22 THR 30 -3.989 -5.214 18.194
376 HG23 THR 30 HG23 THR 30 -3.900 -4.720 16.504
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 1.024 -4.603 10.751
2 H2 GLY 1 H2 GLY 1 0.090 -5.997 10.486
3 H3 GLY 1 H3 GLY 1 -0.560 -4.689 11.355
4 HA2 GLY 1 HA2 GLY 1 -1.119 -4.945 8.843
5 HA3 GLY 1 HA3 GLY 1 -0.897 -3.306 9.530
6 H ILE 2 H ILE 2 -0.258 -2.799 7.294
7 HA ILE 2 HA ILE 2 1.303 -4.775 5.705
8 HB ILE 2 HB ILE 2 -0.737 -4.006 4.596
9 HG12 ILE 2 HG12 ILE 2 1.876 -2.932 3.512
10 HG13 ILE 2 HG13 ILE 2 1.041 -4.418 3.060
11 HG21 ILE 2 HG21 ILE 2 -0.824 -1.817 5.872
12 HG22 ILE 2 HG22 ILE 2 -1.164 -1.676 4.150
13 HG23 ILE 2 HG23 ILE 2 0.416 -1.210 4.777
14 HD11 ILE 2 HD11 ILE 2 -0.895 -2.857 2.320
15 HD12 ILE 2 HD12 ILE 2 0.532 -2.942 1.288
16 HD13 ILE 2 HD13 ILE 2 0.311 -1.572 2.377
17 HA ABA 3 HA ABA 3 3.581 -0.518 5.291
18 H ABA 3 H ABA 3 1.187 -1.328 6.479
19 HB2 ABA 3 HB2 ABA 3 3.564 0.888 7.702
20 HB3 ABA 3 HB3 ABA 3 2.867 1.417 6.178
21 HG1 ABA 3 HG1 ABA 3 1.257 1.495 8.099
22 HG2 ABA 3 HG2 ABA 3 1.398 -0.257 8.234
23 HG3 ABA 3 HG3 ABA 3 0.716 0.462 6.776
24 H GLU 4 H GLU 4 3.223 -1.745 8.619
25 HA GLU 4 HA GLU 4 5.916 -1.602 9.351
26 HB2 GLU 4 HB2 GLU 4 4.739 -2.365 11.130
27 HB3 GLU 4 HB3 GLU 4 3.569 -3.183 10.106
28 HG2 GLU 4 HG2 GLU 4 4.730 -4.862 11.393
29 HG3 GLU 4 HG3 GLU 4 5.267 -4.993 9.720
30 H GLN 5 H GLN 5 4.368 -3.724 7.050
31 HA GLN 5 HA GLN 5 6.897 -5.284 6.785
32 HB2 GLN 5 HB2 GLN 5 4.415 -6.277 6.989
33 HB3 GLN 5 HB3 GLN 5 4.456 -6.026 5.243
34 HG2 GLN 5 HG2 GLN 5 5.850 -7.773 4.939
35 HG3 GLN 5 HG3 GLN 5 6.935 -7.205 6.210
36 HE21 GLN 5 HE21 GLN 5 7.156 -9.410 7.076
37 HE22 GLN 5 HE22 GLN 5 5.890 -10.133 7.945
38 H CYS 6 H CYS 6 4.866 -2.965 5.168
39 HA CYS 6 HA CYS 6 6.420 -3.314 2.655
40 HB2 CYS 6 HB2 CYS 6 3.701 -2.340 3.339
41 HB3 CYS 6 HB3 CYS 6 4.520 -1.496 2.044
42 H CYS 7 H CYS 7 5.937 -1.295 5.372
43 HA CYS 7 HA CYS 7 7.183 1.080 4.181
44 HB2 CYS 7 HB2 CYS 7 5.390 1.341 5.873
45 HB3 CYS 7 HB3 CYS 7 6.383 0.493 7.040
46 H THR 8 H THR 8 8.030 -1.704 6.150
47 HA THR 8 HA THR 8 10.757 -0.580 6.574
48 HB THR 8 HB THR 8 11.085 -2.431 8.131
49 HG1 THR 8 HG1 THR 8 8.458 -3.239 7.456
50 HG21 THR 8 HG21 THR 8 9.667 -0.336 8.722
51 HG22 THR 8 HG22 THR 8 9.609 -1.717 9.817
52 HG23 THR 8 HG23 THR 8 8.292 -1.441 8.677
53 H SER 9 H SER 9 9.267 -2.042 4.123
54 HA SER 9 HA SER 9 11.744 -3.410 3.258
55 HG SER 9 HG SER 9 10.587 -4.688 5.181
56 HB2 SER 9 HB2 SER 9 9.030 -4.747 3.309
57 HB3 SER 9 HB3 SER 9 10.432 -5.379 2.452
58 H ILE 10 H ILE 10 8.747 -4.000 1.596
59 HA ILE 10 HA ILE 10 9.006 -1.673 -0.157
60 HB ILE 10 HB ILE 10 10.206 -4.290 -0.826
61 HG12 ILE 10 HG12 ILE 10 11.142 -2.427 -2.581
62 HG13 ILE 10 HG13 ILE 10 10.649 -1.416 -1.225
63 HG21 ILE 10 HG21 ILE 10 8.618 -2.759 -2.905
64 HG22 ILE 10 HG22 ILE 10 8.217 -4.363 -2.291
65 HG23 ILE 10 HG23 ILE 10 9.692 -4.121 -3.228
66 HD11 ILE 10 HD11 ILE 10 12.574 -1.987 -0.209
67 HD12 ILE 10 HD12 ILE 10 12.922 -3.207 -1.434
68 HD13 ILE 10 HD13 ILE 10 11.916 -3.615 -0.043
69 H CYS 11 H CYS 11 7.280 -1.563 -1.726
70 HA CYS 11 HA CYS 11 5.144 -3.596 -1.601
71 HB2 CYS 11 HB2 CYS 11 5.009 -1.332 0.039
72 HB3 CYS 11 HB3 CYS 11 3.946 -0.983 -1.325
73 H SER 12 H SER 12 4.936 -3.991 -3.724
74 HA SER 12 HA SER 12 5.491 -1.957 -5.737
75 HG SER 12 HG SER 12 4.381 -5.773 -5.953
76 HB2 SER 12 HB2 SER 12 4.307 -4.020 -7.092
77 HB3 SER 12 HB3 SER 12 6.025 -3.926 -6.718
78 H LEU 13 H LEU 13 4.003 -1.237 -7.315
79 HA LEU 13 HA LEU 13 1.559 -0.225 -6.332
80 HG LEU 13 HG LEU 13 2.324 -2.016 -9.250
81 HB2 LEU 13 HB2 LEU 13 1.075 0.313 -8.706
82 HB3 LEU 13 HB3 LEU 13 2.729 0.743 -8.257
83 HD11 LEU 13 HD11 LEU 13 2.745 -0.380 -11.541
84 HD12 LEU 13 HD12 LEU 13 1.315 0.233 -10.709
85 HD13 LEU 13 HD13 LEU 13 1.387 -1.456 -11.214
86 HD21 LEU 13 HD21 LEU 13 4.417 0.013 -9.030
87 HD22 LEU 13 HD22 LEU 13 4.395 -0.752 -10.619
88 HD23 LEU 13 HD23 LEU 13 4.568 -1.738 -9.167
89 H TYR 14 H TYR 14 2.292 -3.402 -7.402
90 HA TYR 14 HA TYR 14 -0.583 -3.941 -7.972
91 HD1 TYR 14 HD1 TYR 14 -1.374 -6.466 -9.594
92 HD2 TYR 14 HD2 TYR 14 2.000 -7.280 -7.060
93 HE1 TYR 14 HE1 TYR 14 -2.270 -8.732 -9.129
94 HE2 TYR 14 HE2 TYR 14 1.104 -9.547 -6.595
95 HH TYR 14 HH TYR 14 -0.636 -10.925 -6.850
96 HB2 TYR 14 HB2 TYR 14 0.637 -5.049 -9.638
97 HB3 TYR 14 HB3 TYR 14 1.997 -5.368 -8.566
98 H GLN 15 H GLN 15 2.072 -4.572 -5.882
99 HA GLN 15 HA GLN 15 0.830 -6.486 -4.141
100 HB2 GLN 15 HB2 GLN 15 3.185 -4.714 -4.239
101 HB3 GLN 15 HB3 GLN 15 2.591 -5.032 -2.612
102 HG2 GLN 15 HG2 GLN 15 3.108 -7.220 -4.628
103 HG3 GLN 15 HG3 GLN 15 4.333 -6.667 -3.487
104 HE21 GLN 15 HE21 GLN 15 1.418 -6.299 -1.879
105 HE22 GLN 15 HE22 GLN 15 1.357 -7.798 -1.090
106 H LEU 16 H LEU 16 0.803 -3.044 -4.548
107 HA LEU 16 HA LEU 16 -0.567 -2.482 -2.021
108 HG LEU 16 HG LEU 16 2.027 -1.658 -3.019
109 HB2 LEU 16 HB2 LEU 16 0.193 -0.805 -4.429
110 HB3 LEU 16 HB3 LEU 16 -0.600 -0.157 -2.993
111 HD11 LEU 16 HD11 LEU 16 1.858 0.817 -3.868
112 HD12 LEU 16 HD12 LEU 16 3.129 0.366 -2.733
113 HD13 LEU 16 HD13 LEU 16 1.682 1.191 -2.153
114 HD21 LEU 16 HD21 LEU 16 0.277 -0.532 -0.845
115 HD22 LEU 16 HD22 LEU 16 2.009 -0.757 -0.598
116 HD23 LEU 16 HD23 LEU 16 0.982 -2.143 -0.970
117 H GLU 17 H GLU 17 -1.292 -3.224 -5.295
118 HA GLU 17 HA GLU 17 -4.005 -2.230 -5.272
119 HB2 GLU 17 HB2 GLU 17 -2.695 -2.680 -7.342
120 HB3 GLU 17 HB3 GLU 17 -2.721 -4.398 -6.952
121 HG2 GLU 17 HG2 GLU 17 -5.312 -4.092 -6.838
122 HG3 GLU 17 HG3 GLU 17 -5.013 -2.620 -7.763
123 H ASN 18 H ASN 18 -2.352 -5.012 -4.027
124 HA ASN 18 HA ASN 18 -4.718 -6.728 -3.913
125 HB2 ASN 18 HB2 ASN 18 -1.889 -6.895 -3.077
126 HB3 ASN 18 HB3 ASN 18 -3.021 -7.808 -2.082
127 HD21 ASN 18 HD21 ASN 18 -1.995 -7.356 -5.496
128 HD22 ASN 18 HD22 ASN 18 -2.476 -8.902 -6.004
129 H TYR 19 H TYR 19 -3.824 -4.007 -2.156
130 HA TYR 19 HA TYR 19 -5.177 -5.017 0.302
131 HD1 TYR 19 HD1 TYR 19 -3.642 -4.977 2.652
132 HD2 TYR 19 HD2 TYR 19 -1.494 -3.798 -0.879
133 HE1 TYR 19 HE1 TYR 19 -1.784 -6.498 3.275
134 HE2 TYR 19 HE2 TYR 19 0.365 -5.319 -0.256
135 HH TYR 19 HH TYR 19 0.482 -6.900 2.855
136 HB2 TYR 19 HB2 TYR 19 -3.445 -2.576 -0.164
137 HB3 TYR 19 HB3 TYR 19 -4.251 -2.941 1.361
138 H CYS 20 H CYS 20 -5.939 -3.342 -2.505
139 HA CYS 20 HA CYS 20 -7.709 -1.395 -1.220
140 HB2 CYS 20 HB2 CYS 20 -8.285 -0.775 -3.506
141 HB3 CYS 20 HB3 CYS 20 -6.541 -0.854 -3.327
142 H ASN 21 H ASN 21 -9.531 -2.201 -0.308
143 HA ASN 21 HA ASN 21 -11.357 -3.658 0.059
144 HB2 ASN 21 HB2 ASN 21 -12.243 -1.944 -1.476
145 HB3 ASN 21 HB3 ASN 21 -11.720 -2.910 -2.856
146 HD21 ASN 21 HD21 ASN 21 -13.793 -3.179 0.085
147 HD22 ASN 21 HD22 ASN 21 -14.925 -4.223 -0.629
148 HA PHE 1 HA PHE 1 9.169 -2.667 -12.806
149 HD1 PHE 1 HD1 PHE 1 6.590 -2.844 -14.207
150 HD2 PHE 1 HD2 PHE 1 7.276 -5.936 -11.301
151 HE1 PHE 1 HE1 PHE 1 5.821 -4.549 -15.840
152 HE2 PHE 1 HE2 PHE 1 6.508 -7.638 -12.933
153 HZ PHE 1 HZ PHE 1 5.780 -6.946 -15.202
154 H1 PHE 1 H1 PHE 1 9.672 -4.868 -12.447
155 H2 PHE 1 H2 PHE 1 9.193 -4.836 -10.817
156 H3 PHE 1 H3 PHE 1 10.654 -4.109 -11.292
157 HB2 PHE 1 HB2 PHE 1 7.238 -3.583 -10.650
158 HB3 PHE 1 HB3 PHE 1 6.931 -2.313 -11.833
159 H VAL 2 H VAL 2 8.335 -2.797 -9.343
160 HA VAL 2 HA VAL 2 10.080 -0.395 -8.959
161 HB VAL 2 HB VAL 2 8.408 0.105 -7.050
162 HG11 VAL 2 HG11 VAL 2 7.437 1.603 -8.466
163 HG12 VAL 2 HG12 VAL 2 6.896 0.344 -9.577
164 HG13 VAL 2 HG13 VAL 2 8.555 0.937 -9.656
165 HG21 VAL 2 HG21 VAL 2 7.392 -2.247 -7.309
166 HG22 VAL 2 HG22 VAL 2 6.588 -1.614 -8.745
167 HG23 VAL 2 HG23 VAL 2 6.257 -0.906 -7.165
168 H ASN 3 H ASN 3 10.549 -0.179 -6.435
169 HA ASN 3 HA ASN 3 10.608 -2.585 -4.866
170 HB2 ASN 3 HB2 ASN 3 12.684 -2.274 -6.836
171 HB3 ASN 3 HB3 ASN 3 13.380 -2.246 -5.218
172 HD21 ASN 3 HD21 ASN 3 12.080 -4.315 -7.649
173 HD22 ASN 3 HD22 ASN 3 12.018 -5.734 -6.721
174 H GLN 4 H GLN 4 9.837 -0.140 -4.066
175 HA GLN 4 HA GLN 4 12.109 0.764 -2.362
176 HB2 GLN 4 HB2 GLN 4 11.030 2.268 -4.375
177 HB3 GLN 4 HB3 GLN 4 10.055 2.787 -2.998
178 HG2 GLN 4 HG2 GLN 4 12.118 3.229 -1.715
179 HG3 GLN 4 HG3 GLN 4 13.081 2.742 -3.110
180 HE21 GLN 4 HE21 GLN 4 13.203 5.407 -1.976
181 HE22 GLN 4 HE22 GLN 4 12.601 6.489 -3.136
182 H HIS 5 H HIS 5 11.451 1.704 -0.299
183 HA HIS 5 HA HIS 5 9.370 0.176 0.982
184 HD2 HIS 5 HD2 HIS 5 12.137 -0.202 3.850
185 HE1 HIS 5 HE1 HIS 5 14.693 0.415 0.539
186 HE2 HIS 5 HE2 HIS 5 14.452 -0.752 2.794
187 HB2 HIS 5 HB2 HIS 5 10.637 2.679 2.100
188 HB3 HIS 5 HB3 HIS 5 10.018 1.285 2.983
189 H LEU 6 H LEU 6 7.753 1.515 2.452
190 HA LEU 6 HA LEU 6 6.633 3.816 0.978
191 HG LEU 6 HG LEU 6 3.784 3.553 0.225
192 HB2 LEU 6 HB2 LEU 6 5.583 1.196 0.785
193 HB3 LEU 6 HB3 LEU 6 4.507 2.047 1.874
194 HD11 LEU 6 HD11 LEU 6 6.454 2.973 -1.074
195 HD12 LEU 6 HD12 LEU 6 5.815 4.524 -0.530
196 HD13 LEU 6 HD13 LEU 6 5.151 3.753 -1.969
197 HD21 LEU 6 HD21 LEU 6 3.356 2.267 -1.813
198 HD22 LEU 6 HD22 LEU 6 3.131 1.255 -0.387
199 HD23 LEU 6 HD23 LEU 6 4.594 1.099 -1.359
200 H CYS 7 H CYS 7 4.806 4.838 2.257
201 HA CYS 7 HA CYS 7 4.046 4.343 4.843
202 HB2 CYS 7 HB2 CYS 7 6.878 4.848 4.795
203 HB3 CYS 7 HB3 CYS 7 6.076 6.143 5.669
204 H GLY 8 H GLY 8 2.844 6.073 5.689
205 HA2 GLY 8 HA2 GLY 8 1.731 8.134 5.662
206 HA3 GLY 8 HA3 GLY 8 3.210 8.819 4.990
207 H SER 9 H SER 9 2.266 10.089 3.400
208 HA SER 9 HA SER 9 0.119 9.445 1.718
209 HG SER 9 HG SER 9 3.133 11.917 0.629
210 HB2 SER 9 HB2 SER 9 1.182 11.053 0.090
211 HB3 SER 9 HB3 SER 9 1.010 11.686 1.724
212 H ASP 10 H ASP 10 3.536 8.644 1.345
213 HA ASP 10 HA ASP 10 3.559 7.628 -1.267
214 HB2 ASP 10 HB2 ASP 10 4.906 6.214 1.034
215 HB3 ASP 10 HB3 ASP 10 5.461 6.347 -0.635
216 H LEU 11 H LEU 11 2.469 6.017 1.700
217 HA LEU 11 HA LEU 11 1.861 3.522 0.412
218 HG LEU 11 HG LEU 11 -0.083 2.203 2.287
219 HB2 LEU 11 HB2 LEU 11 2.110 4.166 2.965
220 HB3 LEU 11 HB3 LEU 11 0.379 4.462 2.845
221 HD11 LEU 11 HD11 LEU 11 1.356 1.343 0.731
222 HD12 LEU 11 HD12 LEU 11 2.209 0.722 2.144
223 HD13 LEU 11 HD13 LEU 11 2.738 2.222 1.385
224 HD21 LEU 11 HD21 LEU 11 1.523 0.958 4.014
225 HD22 LEU 11 HD22 LEU 11 0.285 2.088 4.564
226 HD23 LEU 11 HD23 LEU 11 1.963 2.616 4.423
227 H VAL 12 H VAL 12 -0.234 6.274 1.358
228 HA VAL 12 HA VAL 12 -2.558 5.080 0.121
229 HB VAL 12 HB VAL 12 -3.720 6.969 0.803
230 HG11 VAL 12 HG11 VAL 12 -3.122 7.129 2.989
231 HG12 VAL 12 HG12 VAL 12 -1.478 7.638 2.606
232 HG13 VAL 12 HG13 VAL 12 -1.907 5.928 2.551
233 HG21 VAL 12 HG21 VAL 12 -1.145 8.502 0.335
234 HG22 VAL 12 HG22 VAL 12 -2.572 9.212 1.091
235 HG23 VAL 12 HG23 VAL 12 -2.650 8.636 -0.574
236 H GLU 13 H GLU 13 -0.171 7.490 -0.951
237 HA GLU 13 HA GLU 13 -1.363 8.291 -3.354
238 HB2 GLU 13 HB2 GLU 13 0.624 9.347 -3.561
239 HB3 GLU 13 HB3 GLU 13 1.244 8.415 -2.207
240 HG2 GLU 13 HG2 GLU 13 2.107 6.712 -3.647
241 HG3 GLU 13 HG3 GLU 13 1.221 7.342 -5.035
242 H ALA 14 H ALA 14 0.165 5.235 -2.526
243 HA ALA 14 HA ALA 14 -0.100 4.245 -5.294
244 HB1 ALA 14 HB1 ALA 14 1.124 2.368 -4.593
245 HB2 ALA 14 HB2 ALA 14 0.604 2.535 -2.916
246 HB3 ALA 14 HB3 ALA 14 1.795 3.650 -3.586
247 H LEU 15 H LEU 15 -1.329 3.372 -2.041
248 HA LEU 15 HA LEU 15 -3.205 1.447 -2.791
249 HG LEU 15 HG LEU 15 -1.570 2.134 -0.129
250 HB2 LEU 15 HB2 LEU 15 -3.333 3.590 -0.662
251 HB3 LEU 15 HB3 LEU 15 -4.521 2.295 -0.770
252 HD11 LEU 15 HD11 LEU 15 -2.263 1.388 1.887
253 HD12 LEU 15 HD12 LEU 15 -3.548 0.400 1.191
254 HD13 LEU 15 HD13 LEU 15 -3.797 2.130 1.431
255 HD21 LEU 15 HD21 LEU 15 -1.885 0.489 -1.923
256 HD22 LEU 15 HD22 LEU 15 -3.296 -0.173 -1.104
257 HD23 LEU 15 HD23 LEU 15 -1.696 -0.343 -0.382
258 H TYR 16 H TYR 16 -3.486 4.978 -2.879
259 HA TYR 16 HA TYR 16 -6.247 4.980 -3.745
260 HD1 TYR 16 HD1 TYR 16 -7.672 6.956 -4.574
261 HD2 TYR 16 HD2 TYR 16 -5.118 7.717 -1.202
262 HE1 TYR 16 HE1 TYR 16 -9.624 7.774 -3.281
263 HE2 TYR 16 HE2 TYR 16 -7.071 8.536 0.091
264 HH TYR 16 HH TYR 16 -10.037 7.898 -0.459
265 HB2 TYR 16 HB2 TYR 16 -4.180 6.928 -3.181
266 HB3 TYR 16 HB3 TYR 16 -5.009 7.330 -4.683
267 H LEU 17 H LEU 17 -3.120 4.990 -5.417
268 HA LEU 17 HA LEU 17 -4.412 5.304 -8.016
269 HG LEU 17 HG LEU 17 -0.679 4.900 -9.265
270 HB2 LEU 17 HB2 LEU 17 -2.352 6.258 -8.240
271 HB3 LEU 17 HB3 LEU 17 -1.656 5.280 -6.960
272 HD11 LEU 17 HD11 LEU 17 -1.155 3.139 -7.209
273 HD12 LEU 17 HD12 LEU 17 -0.115 2.820 -8.597
274 HD13 LEU 17 HD13 LEU 17 -1.790 2.267 -8.605
275 HD21 LEU 17 HD21 LEU 17 -2.555 3.043 -10.272
276 HD22 LEU 17 HD22 LEU 17 -2.098 4.591 -10.983
277 HD23 LEU 17 HD23 LEU 17 -3.473 4.498 -9.883
278 H VAL 18 H VAL 18 -2.935 2.671 -6.173
279 HA VAL 18 HA VAL 18 -2.985 0.693 -8.204
280 HB VAL 18 HB VAL 18 -2.789 -0.933 -6.494
281 HG11 VAL 18 HG11 VAL 18 -1.691 0.935 -4.654
282 HG12 VAL 18 HG12 VAL 18 -1.410 1.551 -6.283
283 HG13 VAL 18 HG13 VAL 18 -0.842 -0.059 -5.837
284 HG21 VAL 18 HG21 VAL 18 -4.173 1.081 -4.708
285 HG22 VAL 18 HG22 VAL 18 -3.438 -0.408 -4.121
286 HG23 VAL 18 HG23 VAL 18 -4.805 -0.478 -5.233
287 H CYS 19 H CYS 19 -5.543 1.960 -6.150
288 HA CYS 19 HA CYS 19 -7.455 0.470 -7.860
289 HB2 CYS 19 HB2 CYS 19 -7.094 0.212 -4.953
290 HB3 CYS 19 HB3 CYS 19 -8.763 0.481 -5.452
291 H GLY 20 H GLY 20 -7.272 2.929 -5.260
292 HA2 GLY 20 HA2 GLY 20 -8.035 5.181 -5.418
293 HA3 GLY 20 HA3 GLY 20 -8.760 4.801 -6.978
294 H GLU 21 H GLU 21 -10.939 4.797 -6.960
295 HA GLU 21 HA GLU 21 -12.569 5.217 -4.737
296 HB2 GLU 21 HB2 GLU 21 -12.964 4.724 -7.488
297 HB3 GLU 21 HB3 GLU 21 -13.986 3.568 -6.631
298 HG2 GLU 21 HG2 GLU 21 -15.303 5.206 -5.707
299 HG3 GLU 21 HG3 GLU 21 -13.971 6.356 -5.592
300 H ARG 22 H ARG 22 -11.061 2.234 -5.681
301 HA ARG 22 HA ARG 22 -12.918 0.453 -4.378
302 HE ARG 22 HE ARG 22 -14.292 -2.770 -6.138
303 HB2 ARG 22 HB2 ARG 22 -10.547 0.178 -5.871
304 HB3 ARG 22 HB3 ARG 22 -10.191 -0.522 -4.292
305 HG2 ARG 22 HG2 ARG 22 -11.152 -2.219 -5.808
306 HG3 ARG 22 HG3 ARG 22 -12.221 -1.914 -4.439
307 HD2 ARG 22 HD2 ARG 22 -13.095 -0.046 -6.261
308 HD3 ARG 22 HD3 ARG 22 -12.654 -1.396 -7.307
309 HH11 ARG 22 HH11 ARG 22 -14.882 0.516 -6.275
310 HH12 ARG 22 HH12 ARG 22 -16.107 0.533 -5.051
311 HH21 ARG 22 HH21 ARG 22 -15.571 -2.753 -4.090
312 HH22 ARG 22 HH22 ARG 22 -16.500 -1.317 -3.817
313 H GLY 23 H GLY 23 -10.923 2.825 -3.100
314 HA2 GLY 23 HA2 GLY 23 -10.282 3.325 -0.904
315 HA3 GLY 23 HA3 GLY 23 -11.509 2.164 -0.397
316 H PHE 24 H PHE 24 -8.831 2.562 0.743
317 HA PHE 24 HA PHE 24 -7.703 -0.149 0.173
318 HD1 PHE 24 HD1 PHE 24 -7.362 3.213 -1.257
319 HD2 PHE 24 HD2 PHE 24 -5.481 2.960 2.599
320 HE1 PHE 24 HE1 PHE 24 -7.554 5.675 -1.001
321 HE2 PHE 24 HE2 PHE 24 -5.673 5.421 2.855
322 HZ PHE 24 HZ PHE 24 -6.700 6.780 1.052
323 HB2 PHE 24 HB2 PHE 24 -5.570 1.051 1.214
324 HB3 PHE 24 HB3 PHE 24 -5.953 1.196 -0.500
325 H PHE 25 H PHE 25 -6.596 -1.127 2.089
326 HA PHE 25 HA PHE 25 -8.098 -0.442 4.572
327 HD1 PHE 25 HD1 PHE 25 -7.673 -0.840 6.440
328 HD2 PHE 25 HD2 PHE 25 -8.284 -4.895 5.151
329 HE1 PHE 25 HE1 PHE 25 -8.427 -1.453 8.722
330 HE2 PHE 25 HE2 PHE 25 -9.038 -5.506 7.434
331 HZ PHE 25 HZ PHE 25 -9.110 -3.785 9.219
332 HB2 PHE 25 HB2 PHE 25 -8.215 -2.782 3.533
333 HB3 PHE 25 HB3 PHE 25 -6.538 -2.975 4.036
334 H TYR 26 H TYR 26 -6.564 1.325 5.021
335 HA TYR 26 HA TYR 26 -3.751 0.691 5.466
336 HD1 TYR 26 HD1 TYR 26 -1.999 1.640 5.650
337 HD2 TYR 26 HD2 TYR 26 -4.278 4.744 7.558
338 HE1 TYR 26 HE1 TYR 26 0.052 2.447 6.791
339 HE2 TYR 26 HE2 TYR 26 -2.230 5.550 8.698
340 HH TYR 26 HH TYR 26 0.669 5.054 7.835
341 HB2 TYR 26 HB2 TYR 26 -4.490 2.956 4.797
342 HB3 TYR 26 HB3 TYR 26 -5.384 3.105 6.307
343 H THR 27 H THR 27 -2.729 0.455 7.508
344 HA THR 27 HA THR 27 -4.583 -0.338 9.704
345 HB THR 27 HB THR 27 -2.841 -1.715 10.529
346 HG1 THR 27 HG1 THR 27 -0.701 -1.459 9.788
347 HG21 THR 27 HG21 THR 27 -3.737 -2.026 7.968
348 HG22 THR 27 HG22 THR 27 -2.712 -3.192 8.805
349 HG23 THR 27 HG23 THR 27 -1.992 -2.006 7.717
350 H LYS 28 H LYS 28 -4.873 1.151 11.291
351 HA LYS 28 HA LYS 28 -2.799 3.241 11.661
352 HB2 LYS 28 HB2 LYS 28 -5.666 3.252 11.759
353 HB3 LYS 28 HB3 LYS 28 -5.052 3.677 13.346
354 HG2 LYS 28 HG2 LYS 28 -5.411 5.573 11.559
355 HG3 LYS 28 HG3 LYS 28 -4.003 5.608 12.611
356 HD2 LYS 28 HD2 LYS 28 -3.617 4.105 10.084
357 HD3 LYS 28 HD3 LYS 28 -3.876 5.839 9.886
358 HE2 LYS 28 HE2 LYS 28 -2.066 5.282 12.096
359 HE3 LYS 28 HE3 LYS 28 -1.470 4.598 10.584
360 HZ1 LYS 28 HZ1 LYS 28 -1.638 7.326 11.391
361 HZ2 LYS 28 HZ2 LYS 28 -2.427 7.070 9.908
362 HZ3 LYS 28 HZ3 LYS 28 -0.794 6.637 10.091
363 HA PRO 29 HA PRO 29 -3.323 1.805 16.112
364 HB2 PRO 29 HB2 PRO 29 -5.204 -0.082 16.725
365 HB3 PRO 29 HB3 PRO 29 -5.554 1.652 16.620
366 HG2 PRO 29 HG2 PRO 29 -6.280 -0.512 14.711
367 HG3 PRO 29 HG3 PRO 29 -7.083 1.036 15.020
368 HD2 PRO 29 HD2 PRO 29 -5.349 0.441 12.856
369 HD3 PRO 29 HD3 PRO 29 -5.953 2.043 13.323
370 H THR 30 H THR 30 -4.125 -1.048 14.093
371 HA THR 30 HA THR 30 -1.531 -2.245 14.819
372 HB THR 30 HB THR 30 -4.090 -3.777 15.345
373 HG1 THR 30 HG1 THR 30 -3.956 -2.141 16.851
374 HG21 THR 30 HG21 THR 30 -1.658 -4.570 16.737
375 HG22 THR 30 HG22 THR 30 -1.441 -4.588 14.986
376 HG23 THR 30 HG23 THR 30 -2.732 -5.536 15.725
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 -0.073 -5.623 11.322
2 H2 GLY 1 H2 GLY 1 1.372 -4.754 11.112
3 H3 GLY 1 H3 GLY 1 1.059 -6.128 10.162
4 HA2 GLY 1 HA2 GLY 1 -0.669 -4.936 9.031
5 HA3 GLY 1 HA3 GLY 1 -0.567 -3.547 10.154
6 H ILE 2 H ILE 2 -1.013 -3.437 7.458
7 HA ILE 2 HA ILE 2 1.043 -4.278 5.649
8 HB ILE 2 HB ILE 2 -0.986 -3.829 4.576
9 HG12 ILE 2 HG12 ILE 2 -0.206 -1.127 3.865
10 HG13 ILE 2 HG13 ILE 2 1.196 -2.186 3.906
11 HG21 ILE 2 HG21 ILE 2 -2.236 -2.697 6.219
12 HG22 ILE 2 HG22 ILE 2 -2.113 -1.527 4.904
13 HG23 ILE 2 HG23 ILE 2 -1.074 -1.374 6.320
14 HD11 ILE 2 HD11 ILE 2 -1.295 -2.457 2.249
15 HD12 ILE 2 HD12 ILE 2 -0.244 -3.840 2.553
16 HD13 ILE 2 HD13 ILE 2 0.385 -2.423 1.712
17 HA ABA 3 HA ABA 3 2.407 0.413 6.186
18 H ABA 3 H ABA 3 0.486 -1.210 7.324
19 HB2 ABA 3 HB2 ABA 3 1.482 0.083 9.021
20 HB3 ABA 3 HB3 ABA 3 2.738 1.242 8.621
21 HG1 ABA 3 HG1 ABA 3 0.516 2.310 8.579
22 HG2 ABA 3 HG2 ABA 3 -0.010 1.148 7.361
23 HG3 ABA 3 HG3 ABA 3 1.256 2.315 6.978
24 H GLU 4 H GLU 4 3.111 -1.276 9.202
25 HA GLU 4 HA GLU 4 5.829 -1.088 9.310
26 HB2 GLU 4 HB2 GLU 4 3.865 -2.918 10.330
27 HB3 GLU 4 HB3 GLU 4 5.312 -3.812 9.874
28 HG2 GLU 4 HG2 GLU 4 6.546 -1.821 11.108
29 HG3 GLU 4 HG3 GLU 4 4.989 -1.648 11.919
30 H GLN 5 H GLN 5 4.390 -4.017 7.829
31 HA GLN 5 HA GLN 5 6.747 -4.904 6.555
32 HB2 GLN 5 HB2 GLN 5 4.215 -5.873 6.770
33 HB3 GLN 5 HB3 GLN 5 4.221 -5.370 5.079
34 HG2 GLN 5 HG2 GLN 5 5.002 -7.647 5.132
35 HG3 GLN 5 HG3 GLN 5 6.407 -6.628 4.818
36 HE21 GLN 5 HE21 GLN 5 4.725 -7.257 7.938
37 HE22 GLN 5 HE22 GLN 5 6.093 -7.890 8.719
38 H CYS 6 H CYS 6 4.147 -2.865 5.230
39 HA CYS 6 HA CYS 6 5.678 -2.430 2.739
40 HB2 CYS 6 HB2 CYS 6 2.924 -2.028 3.631
41 HB3 CYS 6 HB3 CYS 6 3.523 -0.673 2.722
42 H CYS 7 H CYS 7 6.440 -1.371 5.560
43 HA CYS 7 HA CYS 7 7.036 1.368 4.574
44 HB2 CYS 7 HB2 CYS 7 5.238 1.542 6.250
45 HB3 CYS 7 HB3 CYS 7 6.234 0.677 7.410
46 H THR 8 H THR 8 8.018 -1.442 6.418
47 HA THR 8 HA THR 8 10.724 -0.239 6.759
48 HB THR 8 HB THR 8 11.138 -2.028 8.375
49 HG1 THR 8 HG1 THR 8 10.040 -3.737 7.646
50 HG21 THR 8 HG21 THR 8 9.920 -1.075 10.061
51 HG22 THR 8 HG22 THR 8 8.395 -1.234 9.188
52 HG23 THR 8 HG23 THR 8 9.503 0.081 8.796
53 H SER 9 H SER 9 8.952 -2.065 4.643
54 HA SER 9 HA SER 9 11.399 -3.439 3.639
55 HG SER 9 HG SER 9 9.085 -4.396 5.576
56 HB2 SER 9 HB2 SER 9 8.637 -4.626 3.374
57 HB3 SER 9 HB3 SER 9 10.195 -5.423 3.169
58 H ILE 10 H ILE 10 8.990 -4.321 1.588
59 HA ILE 10 HA ILE 10 8.925 -1.762 0.091
60 HB ILE 10 HB ILE 10 10.520 -4.136 -0.582
61 HG12 ILE 10 HG12 ILE 10 11.224 -2.117 -2.285
62 HG13 ILE 10 HG13 ILE 10 10.534 -1.226 -0.930
63 HG21 ILE 10 HG21 ILE 10 8.564 -4.435 -2.121
64 HG22 ILE 10 HG22 ILE 10 10.087 -4.141 -2.955
65 HG23 ILE 10 HG23 ILE 10 8.911 -2.840 -2.787
66 HD11 ILE 10 HD11 ILE 10 12.610 -3.405 -0.611
67 HD12 ILE 10 HD12 ILE 10 12.026 -2.299 0.633
68 HD13 ILE 10 HD13 ILE 10 13.003 -1.688 -0.702
69 H CYS 11 H CYS 11 7.497 -2.063 -1.952
70 HA CYS 11 HA CYS 11 5.458 -4.199 -1.673
71 HB2 CYS 11 HB2 CYS 11 4.510 -1.365 -1.922
72 HB3 CYS 11 HB3 CYS 11 3.625 -2.790 -1.376
73 H SER 12 H SER 12 4.975 -4.935 -3.682
74 HA SER 12 HA SER 12 5.823 -3.385 -6.028
75 HG SER 12 HG SER 12 5.216 -7.215 -5.605
76 HB2 SER 12 HB2 SER 12 4.344 -5.463 -7.032
77 HB3 SER 12 HB3 SER 12 6.071 -5.529 -6.710
78 H LEU 13 H LEU 13 4.395 -2.567 -7.579
79 HA LEU 13 HA LEU 13 2.119 -1.222 -6.591
80 HG LEU 13 HG LEU 13 2.503 -3.272 -9.407
81 HB2 LEU 13 HB2 LEU 13 1.592 -0.774 -8.972
82 HB3 LEU 13 HB3 LEU 13 3.308 -0.532 -8.628
83 HD11 LEU 13 HD11 LEU 13 2.413 -2.746 -11.778
84 HD12 LEU 13 HD12 LEU 13 2.691 -1.037 -11.441
85 HD13 LEU 13 HD13 LEU 13 1.183 -1.801 -10.939
86 HD21 LEU 13 HD21 LEU 13 4.647 -2.422 -10.941
87 HD22 LEU 13 HD22 LEU 13 4.769 -3.267 -9.398
88 HD23 LEU 13 HD23 LEU 13 4.843 -1.506 -9.447
89 H TYR 14 H TYR 14 2.393 -4.532 -7.439
90 HA TYR 14 HA TYR 14 -0.552 -4.696 -7.856
91 HD1 TYR 14 HD1 TYR 14 0.010 -8.061 -6.517
92 HD2 TYR 14 HD2 TYR 14 -1.066 -6.855 -10.499
93 HE1 TYR 14 HE1 TYR 14 -1.817 -9.739 -6.531
94 HE2 TYR 14 HE2 TYR 14 -2.894 -8.533 -10.513
95 HH TYR 14 HH TYR 14 -3.186 -10.950 -8.048
96 HB2 TYR 14 HB2 TYR 14 0.830 -5.930 -9.496
97 HB3 TYR 14 HB3 TYR 14 1.619 -6.801 -8.180
98 H GLN 15 H GLN 15 2.085 -5.504 -5.819
99 HA GLN 15 HA GLN 15 0.731 -7.215 -3.969
100 HB2 GLN 15 HB2 GLN 15 3.226 -5.688 -4.197
101 HB3 GLN 15 HB3 GLN 15 2.632 -5.809 -2.542
102 HG2 GLN 15 HG2 GLN 15 2.768 -8.235 -4.323
103 HG3 GLN 15 HG3 GLN 15 4.183 -7.700 -3.413
104 HE21 GLN 15 HE21 GLN 15 3.397 -10.123 -2.579
105 HE22 GLN 15 HE22 GLN 15 2.482 -10.061 -1.151
106 H LEU 16 H LEU 16 1.036 -3.737 -4.421
107 HA LEU 16 HA LEU 16 -0.384 -3.106 -1.931
108 HG LEU 16 HG LEU 16 2.332 -2.287 -2.970
109 HB2 LEU 16 HB2 LEU 16 0.495 -1.433 -4.310
110 HB3 LEU 16 HB3 LEU 16 -0.286 -0.779 -2.880
111 HD11 LEU 16 HD11 LEU 16 3.121 -0.111 -1.904
112 HD12 LEU 16 HD12 LEU 16 1.572 0.572 -2.397
113 HD13 LEU 16 HD13 LEU 16 2.697 -0.034 -3.614
114 HD21 LEU 16 HD21 LEU 16 2.044 -1.294 -0.422
115 HD22 LEU 16 HD22 LEU 16 1.720 -2.962 -0.895
116 HD23 LEU 16 HD23 LEU 16 0.399 -1.798 -0.811
117 H GLU 17 H GLU 17 -1.020 -3.750 -5.267
118 HA GLU 17 HA GLU 17 -3.652 -2.581 -5.383
119 HB2 GLU 17 HB2 GLU 17 -2.280 -3.183 -7.388
120 HB3 GLU 17 HB3 GLU 17 -2.473 -4.881 -6.977
121 HG2 GLU 17 HG2 GLU 17 -4.872 -4.751 -7.268
122 HG3 GLU 17 HG3 GLU 17 -4.799 -3.001 -7.467
123 H ASN 18 H ASN 18 -2.276 -5.502 -4.107
124 HA ASN 18 HA ASN 18 -4.734 -7.053 -4.092
125 HB2 ASN 18 HB2 ASN 18 -2.203 -7.796 -3.880
126 HB3 ASN 18 HB3 ASN 18 -2.506 -7.569 -2.158
127 HD21 ASN 18 HD21 ASN 18 -2.603 -9.790 -1.534
128 HD22 ASN 18 HD22 ASN 18 -3.776 -10.867 -2.121
129 H TYR 19 H TYR 19 -3.934 -4.319 -2.373
130 HA TYR 19 HA TYR 19 -5.367 -5.281 0.054
131 HD1 TYR 19 HD1 TYR 19 -1.991 -4.747 -1.160
132 HD2 TYR 19 HD2 TYR 19 -3.703 -4.596 2.778
133 HE1 TYR 19 HE1 TYR 19 -0.233 -6.295 -0.339
134 HE2 TYR 19 HE2 TYR 19 -1.946 -6.142 3.601
135 HH TYR 19 HH TYR 19 0.802 -7.016 1.639
136 HB2 TYR 19 HB2 TYR 19 -3.579 -2.885 -0.387
137 HB3 TYR 19 HB3 TYR 19 -4.504 -3.152 1.091
138 H CYS 20 H CYS 20 -6.585 -4.279 -2.649
139 HA CYS 20 HA CYS 20 -7.790 -1.759 -2.235
140 HB2 CYS 20 HB2 CYS 20 -9.405 -4.047 -3.355
141 HB3 CYS 20 HB3 CYS 20 -9.438 -2.350 -3.807
142 H ASN 21 H ASN 21 -10.294 -1.575 -1.722
143 HA ASN 21 HA ASN 21 -10.726 -3.013 0.864
144 HB2 ASN 21 HB2 ASN 21 -10.511 -0.431 0.777
145 HB3 ASN 21 HB3 ASN 21 -12.113 -0.463 0.039
146 HD21 ASN 21 HD21 ASN 21 -10.328 -1.194 3.027
147 HD22 ASN 21 HD22 ASN 21 -11.702 -1.334 4.014
148 HA PHE 1 HA PHE 1 10.189 -2.361 -11.546
149 HD1 PHE 1 HD1 PHE 1 7.838 1.020 -13.006
150 HD2 PHE 1 HD2 PHE 1 8.423 -2.795 -14.895
151 HE1 PHE 1 HE1 PHE 1 5.679 1.282 -14.201
152 HE2 PHE 1 HE2 PHE 1 6.265 -2.534 -16.090
153 HZ PHE 1 HZ PHE 1 4.893 -0.495 -15.744
154 H1 PHE 1 H1 PHE 1 7.281 -1.861 -11.721
155 H2 PHE 1 H2 PHE 1 8.091 -3.152 -10.969
156 H3 PHE 1 H3 PHE 1 8.036 -3.051 -12.664
157 HB2 PHE 1 HB2 PHE 1 10.042 -0.093 -13.018
158 HB3 PHE 1 HB3 PHE 1 10.243 -1.691 -13.734
159 H VAL 2 H VAL 2 10.030 -1.813 -9.323
160 HA VAL 2 HA VAL 2 9.916 1.063 -8.808
161 HB VAL 2 HB VAL 2 8.262 0.304 -6.769
162 HG11 VAL 2 HG11 VAL 2 7.245 1.185 -9.478
163 HG12 VAL 2 HG12 VAL 2 8.127 2.257 -8.390
164 HG13 VAL 2 HG13 VAL 2 6.576 1.579 -7.894
165 HG21 VAL 2 HG21 VAL 2 7.511 -1.300 -9.232
166 HG22 VAL 2 HG22 VAL 2 6.388 -0.959 -7.915
167 HG23 VAL 2 HG23 VAL 2 7.835 -1.920 -7.613
168 H ASN 3 H ASN 3 9.268 -1.502 -6.468
169 HA ASN 3 HA ASN 3 10.570 -2.395 -4.773
170 HB2 ASN 3 HB2 ASN 3 13.052 -1.272 -5.960
171 HB3 ASN 3 HB3 ASN 3 12.754 -2.860 -5.267
172 HD21 ASN 3 HD21 ASN 3 10.834 -4.038 -6.680
173 HD22 ASN 3 HD22 ASN 3 11.145 -4.039 -8.349
174 H GLN 4 H GLN 4 9.536 -0.642 -3.492
175 HA GLN 4 HA GLN 4 11.590 1.122 -2.371
176 HB2 GLN 4 HB2 GLN 4 10.778 2.422 -4.254
177 HB3 GLN 4 HB3 GLN 4 9.106 2.129 -3.782
178 HG2 GLN 4 HG2 GLN 4 9.268 4.105 -2.694
179 HG3 GLN 4 HG3 GLN 4 10.167 3.198 -1.484
180 HE21 GLN 4 HE21 GLN 4 12.440 2.774 -3.476
181 HE22 GLN 4 HE22 GLN 4 13.261 4.259 -3.507
182 H HIS 5 H HIS 5 11.018 1.937 -0.305
183 HA HIS 5 HA HIS 5 9.047 0.338 1.138
184 HD2 HIS 5 HD2 HIS 5 12.185 -0.636 1.810
185 HE1 HIS 5 HE1 HIS 5 14.663 2.687 0.988
186 HE2 HIS 5 HE2 HIS 5 14.571 0.142 1.130
187 HB2 HIS 5 HB2 HIS 5 10.173 2.729 2.481
188 HB3 HIS 5 HB3 HIS 5 10.098 1.059 3.037
189 H LEU 6 H LEU 6 7.504 1.653 2.698
190 HA LEU 6 HA LEU 6 6.421 4.049 1.326
191 HG LEU 6 HG LEU 6 3.589 3.791 0.474
192 HB2 LEU 6 HB2 LEU 6 5.299 1.430 1.199
193 HB3 LEU 6 HB3 LEU 6 4.247 2.389 2.225
194 HD11 LEU 6 HD11 LEU 6 5.724 4.641 -0.234
195 HD12 LEU 6 HD12 LEU 6 4.970 3.937 -1.662
196 HD13 LEU 6 HD13 LEU 6 6.233 3.054 -0.811
197 HD21 LEU 6 HD21 LEU 6 2.628 2.215 -0.799
198 HD22 LEU 6 HD22 LEU 6 3.709 1.025 -0.075
199 HD23 LEU 6 HD23 LEU 6 4.168 1.836 -1.572
200 H CYS 7 H CYS 7 4.405 4.824 2.695
201 HA CYS 7 HA CYS 7 3.823 4.338 5.299
202 HB2 CYS 7 HB2 CYS 7 6.603 5.068 5.205
203 HB3 CYS 7 HB3 CYS 7 5.712 6.324 6.050
204 H GLY 8 H GLY 8 2.358 5.855 5.995
205 HA2 GLY 8 HA2 GLY 8 1.098 7.834 6.016
206 HA3 GLY 8 HA3 GLY 8 2.526 8.662 5.399
207 H SER 9 H SER 9 1.466 9.879 3.826
208 HA SER 9 HA SER 9 -0.538 9.017 2.059
209 HG SER 9 HG SER 9 2.056 11.750 0.668
210 HB2 SER 9 HB2 SER 9 0.043 10.896 0.684
211 HB3 SER 9 HB3 SER 9 0.358 11.378 2.349
212 H ASP 10 H ASP 10 2.938 8.547 1.902
213 HA ASP 10 HA ASP 10 3.245 7.702 -0.758
214 HB2 ASP 10 HB2 ASP 10 4.557 6.364 1.622
215 HB3 ASP 10 HB3 ASP 10 5.187 6.473 -0.022
216 H LEU 11 H LEU 11 1.955 5.932 2.014
217 HA LEU 11 HA LEU 11 1.710 3.438 0.536
218 HG LEU 11 HG LEU 11 -0.471 2.042 2.421
219 HB2 LEU 11 HB2 LEU 11 1.940 3.715 3.077
220 HB3 LEU 11 HB3 LEU 11 0.241 4.176 3.069
221 HD11 LEU 11 HD11 LEU 11 2.342 1.665 1.370
222 HD12 LEU 11 HD12 LEU 11 0.828 1.618 0.467
223 HD13 LEU 11 HD13 LEU 11 1.232 0.309 1.578
224 HD21 LEU 11 HD21 LEU 11 1.817 2.070 4.308
225 HD22 LEU 11 HD22 LEU 11 1.322 0.483 3.720
226 HD23 LEU 11 HD23 LEU 11 0.161 1.517 4.553
227 H VAL 12 H VAL 12 -0.584 5.990 1.565
228 HA VAL 12 HA VAL 12 -2.815 4.669 0.268
229 HB VAL 12 HB VAL 12 -4.116 6.400 1.032
230 HG11 VAL 12 HG11 VAL 12 -1.764 7.297 2.641
231 HG12 VAL 12 HG12 VAL 12 -2.304 5.625 2.789
232 HG13 VAL 12 HG13 VAL 12 -3.412 6.947 3.162
233 HG21 VAL 12 HG21 VAL 12 -1.813 8.329 0.590
234 HG22 VAL 12 HG22 VAL 12 -3.461 8.760 1.047
235 HG23 VAL 12 HG23 VAL 12 -3.140 8.066 -0.542
236 H GLU 13 H GLU 13 -0.572 7.262 -0.668
237 HA GLU 13 HA GLU 13 -1.721 7.963 -3.141
238 HB2 GLU 13 HB2 GLU 13 0.341 8.931 -3.677
239 HB3 GLU 13 HB3 GLU 13 0.430 8.859 -1.919
240 HG2 GLU 13 HG2 GLU 13 2.467 7.905 -2.433
241 HG3 GLU 13 HG3 GLU 13 1.465 6.453 -2.440
242 H ALA 14 H ALA 14 0.103 5.123 -2.189
243 HA ALA 14 HA ALA 14 0.225 4.100 -4.952
244 HB1 ALA 14 HB1 ALA 14 2.114 3.500 -3.614
245 HB2 ALA 14 HB2 ALA 14 1.139 2.035 -3.723
246 HB3 ALA 14 HB3 ALA 14 1.093 3.019 -2.260
247 H LEU 15 H LEU 15 -1.309 3.216 -1.843
248 HA LEU 15 HA LEU 15 -2.879 1.080 -2.792
249 HG LEU 15 HG LEU 15 -1.554 1.776 0.006
250 HB2 LEU 15 HB2 LEU 15 -3.359 3.137 -0.630
251 HB3 LEU 15 HB3 LEU 15 -4.445 1.773 -0.880
252 HD11 LEU 15 HD11 LEU 15 -3.447 -0.126 1.157
253 HD12 LEU 15 HD12 LEU 15 -3.963 1.553 1.319
254 HD13 LEU 15 HD13 LEU 15 -2.398 1.047 1.954
255 HD21 LEU 15 HD21 LEU 15 -1.890 -0.850 -0.211
256 HD22 LEU 15 HD22 LEU 15 -1.298 0.085 -1.583
257 HD23 LEU 15 HD23 LEU 15 -2.995 -0.389 -1.507
258 H TYR 16 H TYR 16 -3.533 4.590 -2.769
259 HA TYR 16 HA TYR 16 -6.195 4.389 -3.844
260 HD1 TYR 16 HD1 TYR 16 -7.708 6.208 -4.794
261 HD2 TYR 16 HD2 TYR 16 -5.434 7.287 -1.309
262 HE1 TYR 16 HE1 TYR 16 -9.795 6.906 -3.647
263 HE2 TYR 16 HE2 TYR 16 -7.521 7.986 -0.164
264 HH TYR 16 HH TYR 16 -10.618 7.203 -1.346
265 HB2 TYR 16 HB2 TYR 16 -4.313 6.498 -3.203
266 HB3 TYR 16 HB3 TYR 16 -5.077 6.811 -4.760
267 H LEU 17 H LEU 17 -3.017 4.884 -5.381
268 HA LEU 17 HA LEU 17 -4.028 5.058 -8.061
269 HG LEU 17 HG LEU 17 -1.556 3.112 -8.972
270 HB2 LEU 17 HB2 LEU 17 -1.830 5.875 -7.738
271 HB3 LEU 17 HB3 LEU 17 -1.326 4.423 -6.876
272 HD11 LEU 17 HD11 LEU 17 -2.310 4.015 -10.958
273 HD12 LEU 17 HD12 LEU 17 -1.759 5.641 -10.551
274 HD13 LEU 17 HD13 LEU 17 -3.238 5.005 -9.832
275 HD21 LEU 17 HD21 LEU 17 0.330 4.329 -10.224
276 HD22 LEU 17 HD22 LEU 17 0.644 3.919 -8.538
277 HD23 LEU 17 HD23 LEU 17 0.208 5.570 -8.977
278 H VAL 18 H VAL 18 -3.432 2.381 -5.942
279 HA VAL 18 HA VAL 18 -3.624 0.459 -8.203
280 HB VAL 18 HB VAL 18 -2.925 -1.231 -6.620
281 HG11 VAL 18 HG11 VAL 18 -1.126 0.797 -5.579
282 HG12 VAL 18 HG12 VAL 18 -1.425 1.024 -7.303
283 HG13 VAL 18 HG13 VAL 18 -0.795 -0.514 -6.711
284 HG21 VAL 18 HG21 VAL 18 -4.226 -0.529 -4.685
285 HG22 VAL 18 HG22 VAL 18 -3.298 0.964 -4.571
286 HG23 VAL 18 HG23 VAL 18 -2.523 -0.581 -4.232
287 H CYS 19 H CYS 19 -5.194 1.203 -5.090
288 HA CYS 19 HA CYS 19 -7.615 -0.155 -6.160
289 HB2 CYS 19 HB2 CYS 19 -6.664 -0.069 -3.284
290 HB3 CYS 19 HB3 CYS 19 -8.132 -0.849 -3.861
291 H GLY 20 H GLY 20 -7.041 2.611 -6.484
292 HA2 GLY 20 HA2 GLY 20 -7.993 4.374 -4.529
293 HA3 GLY 20 HA3 GLY 20 -8.170 4.657 -6.260
294 H GLU 21 H GLU 21 -10.092 3.672 -7.315
295 HA GLU 21 HA GLU 21 -12.490 4.300 -5.979
296 HB2 GLU 21 HB2 GLU 21 -11.821 3.551 -8.541
297 HB3 GLU 21 HB3 GLU 21 -12.781 2.177 -7.991
298 HG2 GLU 21 HG2 GLU 21 -14.670 3.369 -8.217
299 HG3 GLU 21 HG3 GLU 21 -14.049 4.600 -7.116
300 H ARG 22 H ARG 22 -10.739 1.215 -6.069
301 HA ARG 22 HA ARG 22 -12.950 -0.156 -4.718
302 HE ARG 22 HE ARG 22 -14.546 -1.268 -5.698
303 HB2 ARG 22 HB2 ARG 22 -10.238 -0.917 -5.748
304 HB3 ARG 22 HB3 ARG 22 -11.034 -1.952 -4.570
305 HG2 ARG 22 HG2 ARG 22 -12.620 -1.012 -6.921
306 HG3 ARG 22 HG3 ARG 22 -11.446 -2.306 -7.164
307 HD2 ARG 22 HD2 ARG 22 -13.382 -3.495 -6.594
308 HD3 ARG 22 HD3 ARG 22 -12.553 -3.363 -5.043
309 HH11 ARG 22 HH11 ARG 22 -14.308 -4.442 -4.525
310 HH12 ARG 22 HH12 ARG 22 -15.238 -4.152 -3.093
311 HH21 ARG 22 HH21 ARG 22 -15.454 -0.731 -3.605
312 HH22 ARG 22 HH22 ARG 22 -15.883 -2.052 -2.571
313 H GLY 23 H GLY 23 -11.225 2.187 -3.561
314 HA2 GLY 23 HA2 GLY 23 -10.361 2.764 -1.456
315 HA3 GLY 23 HA3 GLY 23 -11.422 1.497 -0.837
316 H PHE 24 H PHE 24 -9.235 1.595 0.591
317 HA PHE 24 HA PHE 24 -7.658 -0.740 -0.350
318 HD1 PHE 24 HD1 PHE 24 -7.440 2.685 -1.741
319 HD2 PHE 24 HD2 PHE 24 -5.980 2.472 2.297
320 HE1 PHE 24 HE1 PHE 24 -7.882 5.109 -1.452
321 HE2 PHE 24 HE2 PHE 24 -6.422 4.897 2.584
322 HZ PHE 24 HZ PHE 24 -7.364 6.218 0.708
323 HB2 PHE 24 HB2 PHE 24 -5.658 0.631 0.799
324 HB3 PHE 24 HB3 PHE 24 -6.025 0.771 -0.918
325 H PHE 25 H PHE 25 -6.067 -1.320 1.625
326 HA PHE 25 HA PHE 25 -7.775 -1.228 4.080
327 HD1 PHE 25 HD1 PHE 25 -9.006 -2.695 5.125
328 HD2 PHE 25 HD2 PHE 25 -5.124 -4.533 5.265
329 HE1 PHE 25 HE1 PHE 25 -9.479 -3.520 7.417
330 HE2 PHE 25 HE2 PHE 25 -5.597 -5.358 7.557
331 HZ PHE 25 HZ PHE 25 -7.774 -4.851 8.633
332 HB2 PHE 25 HB2 PHE 25 -7.459 -3.483 2.962
333 HB3 PHE 25 HB3 PHE 25 -5.747 -3.359 3.365
334 H TYR 26 H TYR 26 -6.467 0.887 4.332
335 HA TYR 26 HA TYR 26 -3.650 0.649 5.018
336 HD1 TYR 26 HD1 TYR 26 -2.013 2.399 4.779
337 HD2 TYR 26 HD2 TYR 26 -4.936 4.142 7.405
338 HE1 TYR 26 HE1 TYR 26 -0.205 3.542 6.035
339 HE2 TYR 26 HE2 TYR 26 -3.126 5.283 8.662
340 HH TYR 26 HH TYR 26 -0.787 6.043 8.226
341 HB2 TYR 26 HB2 TYR 26 -4.605 2.767 4.193
342 HB3 TYR 26 HB3 TYR 26 -5.650 2.853 5.605
343 H THR 27 H THR 27 -2.892 1.259 7.283
344 HA THR 27 HA THR 27 -4.755 0.107 9.323
345 HB THR 27 HB THR 27 -2.857 -0.927 10.412
346 HG1 THR 27 HG1 THR 27 -1.102 -0.148 8.401
347 HG21 THR 27 HG21 THR 27 -3.151 -2.609 8.948
348 HG22 THR 27 HG22 THR 27 -1.895 -1.889 7.943
349 HG23 THR 27 HG23 THR 27 -3.586 -1.471 7.672
350 H LYS 28 H LYS 28 -4.888 1.211 11.275
351 HA LYS 28 HA LYS 28 -3.916 3.970 11.284
352 HB2 LYS 28 HB2 LYS 28 -5.963 2.537 12.654
353 HB3 LYS 28 HB3 LYS 28 -4.854 3.146 13.872
354 HG2 LYS 28 HG2 LYS 28 -6.677 4.763 13.318
355 HG3 LYS 28 HG3 LYS 28 -5.062 5.406 13.026
356 HD2 LYS 28 HD2 LYS 28 -6.777 5.821 11.175
357 HD3 LYS 28 HD3 LYS 28 -5.257 5.089 10.664
358 HE2 LYS 28 HE2 LYS 28 -6.362 2.833 10.864
359 HE3 LYS 28 HE3 LYS 28 -7.888 3.668 11.158
360 HZ1 LYS 28 HZ1 LYS 28 -6.267 4.360 8.801
361 HZ2 LYS 28 HZ2 LYS 28 -7.943 4.512 9.035
362 HZ3 LYS 28 HZ3 LYS 28 -7.255 2.982 8.765
363 HA PRO 29 HA PRO 29 -1.343 2.386 14.944
364 HB2 PRO 29 HB2 PRO 29 -1.510 -0.263 15.599
365 HB3 PRO 29 HB3 PRO 29 -2.626 0.967 16.214
366 HG2 PRO 29 HG2 PRO 29 -3.102 -1.120 14.143
367 HG3 PRO 29 HG3 PRO 29 -4.250 -0.343 15.247
368 HD2 PRO 29 HD2 PRO 29 -3.872 0.299 12.519
369 HD3 PRO 29 HD3 PRO 29 -4.774 1.252 13.713
370 H THR 30 H THR 30 0.823 1.440 15.043
371 HA THR 30 HA THR 30 1.604 -0.074 12.585
372 HB THR 30 HB THR 30 3.850 1.403 13.362
373 HG1 THR 30 HG1 THR 30 1.615 3.124 13.216
374 HG21 THR 30 HG21 THR 30 1.871 2.249 11.241
375 HG22 THR 30 HG22 THR 30 2.895 0.825 11.058
376 HG23 THR 30 HG23 THR 30 3.626 2.421 11.220
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 1.102 -4.172 10.671
2 H2 GLY 1 H2 GLY 1 1.864 -5.602 10.163
3 H3 GLY 1 H3 GLY 1 0.400 -5.678 11.020
4 HA2 GLY 1 HA2 GLY 1 0.106 -5.965 8.591
5 HA3 GLY 1 HA3 GLY 1 -0.867 -4.608 9.236
6 H ILE 2 H ILE 2 -0.794 -4.314 6.792
7 HA ILE 2 HA ILE 2 1.167 -4.894 4.939
8 HB ILE 2 HB ILE 2 -0.757 -3.948 4.010
9 HG12 ILE 2 HG12 ILE 2 0.573 -1.342 3.797
10 HG13 ILE 2 HG13 ILE 2 1.663 -2.693 3.485
11 HG21 ILE 2 HG21 ILE 2 -2.060 -2.619 5.261
12 HG22 ILE 2 HG22 ILE 2 -0.906 -1.301 5.059
13 HG23 ILE 2 HG23 ILE 2 -0.748 -2.408 6.421
14 HD11 ILE 2 HD11 ILE 2 -0.823 -3.247 2.190
15 HD12 ILE 2 HD12 ILE 2 0.754 -2.968 1.451
16 HD13 ILE 2 HD13 ILE 2 -0.330 -1.611 1.754
17 HA ABA 3 HA ABA 3 3.260 -0.492 5.652
18 H ABA 3 H ABA 3 0.961 -1.669 6.404
19 HB2 ABA 3 HB2 ABA 3 2.014 -0.586 8.393
20 HB3 ABA 3 HB3 ABA 3 3.371 0.461 8.011
21 HG1 ABA 3 HG1 ABA 3 0.663 1.022 7.559
22 HG2 ABA 3 HG2 ABA 3 1.328 0.655 5.967
23 HG3 ABA 3 HG3 ABA 3 2.042 1.936 6.947
24 H GLU 4 H GLU 4 3.704 -1.531 8.934
25 HA GLU 4 HA GLU 4 6.310 -1.947 9.172
26 HB2 GLU 4 HB2 GLU 4 4.195 -2.898 10.569
27 HB3 GLU 4 HB3 GLU 4 4.888 -4.406 9.978
28 HG2 GLU 4 HG2 GLU 4 7.132 -3.591 10.821
29 HG3 GLU 4 HG3 GLU 4 6.277 -2.259 11.599
30 H GLN 5 H GLN 5 4.313 -4.328 7.402
31 HA GLN 5 HA GLN 5 6.665 -5.950 6.742
32 HB2 GLN 5 HB2 GLN 5 4.182 -6.713 7.038
33 HB3 GLN 5 HB3 GLN 5 3.998 -6.177 5.368
34 HG2 GLN 5 HG2 GLN 5 4.897 -8.115 4.669
35 HG3 GLN 5 HG3 GLN 5 6.400 -7.687 5.488
36 HE21 GLN 5 HE21 GLN 5 5.527 -7.790 8.200
37 HE22 GLN 5 HE22 GLN 5 5.106 -9.391 8.575
38 H CYS 6 H CYS 6 4.559 -3.653 5.060
39 HA CYS 6 HA CYS 6 6.305 -3.821 2.648
40 HB2 CYS 6 HB2 CYS 6 3.455 -3.170 3.178
41 HB3 CYS 6 HB3 CYS 6 4.234 -2.249 1.910
42 H CYS 7 H CYS 7 6.472 -2.246 5.389
43 HA CYS 7 HA CYS 7 7.138 0.395 4.156
44 HB2 CYS 7 HB2 CYS 7 5.347 0.529 5.866
45 HB3 CYS 7 HB3 CYS 7 6.410 -0.242 7.034
46 H THR 8 H THR 8 8.194 -2.338 6.042
47 HA THR 8 HA THR 8 10.819 -1.085 6.617
48 HB THR 8 HB THR 8 11.271 -3.055 7.932
49 HG1 THR 8 HG1 THR 8 9.487 -4.709 7.856
50 HG21 THR 8 HG21 THR 8 8.568 -1.822 8.173
51 HG22 THR 8 HG22 THR 8 9.908 -1.828 9.320
52 HG23 THR 8 HG23 THR 8 8.890 -3.257 9.146
53 H SER 9 H SER 9 9.216 -3.132 4.365
54 HA SER 9 HA SER 9 11.835 -3.765 3.064
55 HG SER 9 HG SER 9 10.909 -6.700 4.289
56 HB2 SER 9 HB2 SER 9 9.327 -5.414 2.712
57 HB3 SER 9 HB3 SER 9 10.991 -5.868 2.356
58 H ILE 10 H ILE 10 9.636 -4.836 0.932
59 HA ILE 10 HA ILE 10 9.157 -2.133 -0.252
60 HB ILE 10 HB ILE 10 10.508 -4.538 -1.400
61 HG12 ILE 10 HG12 ILE 10 11.813 -2.827 -2.556
62 HG13 ILE 10 HG13 ILE 10 10.712 -1.579 -1.990
63 HG21 ILE 10 HG21 ILE 10 9.877 -3.853 -3.703
64 HG22 ILE 10 HG22 ILE 10 8.732 -2.696 -3.024
65 HG23 ILE 10 HG23 ILE 10 8.489 -4.425 -2.778
66 HD11 ILE 10 HD11 ILE 10 13.007 -2.251 -0.700
67 HD12 ILE 10 HD12 ILE 10 11.857 -3.303 0.125
68 HD13 ILE 10 HD13 ILE 10 11.604 -1.557 0.109
69 H CYS 11 H CYS 11 7.344 -2.144 -1.854
70 HA CYS 11 HA CYS 11 5.459 -4.432 -1.573
71 HB2 CYS 11 HB2 CYS 11 5.075 -2.173 -0.076
72 HB3 CYS 11 HB3 CYS 11 4.079 -1.867 -1.502
73 H SER 12 H SER 12 4.758 -5.028 -3.523
74 HA SER 12 HA SER 12 5.367 -3.395 -5.867
75 HG SER 12 HG SER 12 3.718 -6.953 -5.343
76 HB2 SER 12 HB2 SER 12 3.827 -5.465 -6.790
77 HB3 SER 12 HB3 SER 12 5.574 -5.538 -6.574
78 H LEU 13 H LEU 13 3.806 -2.762 -7.434
79 HA LEU 13 HA LEU 13 1.558 -1.370 -6.365
80 HG LEU 13 HG LEU 13 2.006 -3.440 -9.154
81 HB2 LEU 13 HB2 LEU 13 0.977 -0.971 -8.749
82 HB3 LEU 13 HB3 LEU 13 2.685 -0.658 -8.426
83 HD11 LEU 13 HD11 LEU 13 0.773 -2.822 -10.953
84 HD12 LEU 13 HD12 LEU 13 2.317 -2.322 -11.644
85 HD13 LEU 13 HD13 LEU 13 1.287 -1.139 -10.837
86 HD21 LEU 13 HD21 LEU 13 4.047 -2.399 -10.768
87 HD22 LEU 13 HD22 LEU 13 4.254 -3.353 -9.299
88 HD23 LEU 13 HD23 LEU 13 4.248 -1.591 -9.213
89 H TYR 14 H TYR 14 1.935 -4.672 -7.051
90 HA TYR 14 HA TYR 14 -0.995 -4.986 -7.511
91 HD1 TYR 14 HD1 TYR 14 -2.294 -7.074 -8.584
92 HD2 TYR 14 HD2 TYR 14 1.239 -8.850 -6.897
93 HE1 TYR 14 HE1 TYR 14 -3.580 -9.129 -8.051
94 HE2 TYR 14 HE2 TYR 14 -0.048 -10.903 -6.365
95 HH TYR 14 HH TYR 14 -2.176 -12.033 -7.310
96 HB2 TYR 14 HB2 TYR 14 0.151 -6.292 -9.128
97 HB3 TYR 14 HB3 TYR 14 1.396 -6.773 -7.977
98 H GLN 15 H GLN 15 1.675 -5.650 -5.455
99 HA GLN 15 HA GLN 15 0.318 -7.288 -3.518
100 HB2 GLN 15 HB2 GLN 15 2.845 -5.799 -3.831
101 HB3 GLN 15 HB3 GLN 15 2.266 -5.891 -2.170
102 HG2 GLN 15 HG2 GLN 15 2.459 -8.317 -3.954
103 HG3 GLN 15 HG3 GLN 15 3.795 -7.788 -2.932
104 HE21 GLN 15 HE21 GLN 15 2.228 -10.299 -2.633
105 HE22 GLN 15 HE22 GLN 15 1.520 -10.232 -1.092
106 H LEU 16 H LEU 16 0.714 -3.901 -4.196
107 HA LEU 16 HA LEU 16 -0.596 -2.978 -1.744
108 HG LEU 16 HG LEU 16 2.109 -2.508 -2.914
109 HB2 LEU 16 HB2 LEU 16 0.305 -1.577 -4.280
110 HB3 LEU 16 HB3 LEU 16 -0.358 -0.755 -2.869
111 HD11 LEU 16 HD11 LEU 16 2.971 -0.156 -1.982
112 HD12 LEU 16 HD12 LEU 16 1.649 0.425 -2.993
113 HD13 LEU 16 HD13 LEU 16 2.948 -0.530 -3.705
114 HD21 LEU 16 HD21 LEU 16 0.574 -1.168 -0.703
115 HD22 LEU 16 HD22 LEU 16 2.283 -1.565 -0.529
116 HD23 LEU 16 HD23 LEU 16 1.103 -2.845 -0.816
117 H GLU 17 H GLU 17 -1.376 -3.866 -4.977
118 HA GLU 17 HA GLU 17 -3.949 -2.560 -5.076
119 HB2 GLU 17 HB2 GLU 17 -2.655 -3.291 -7.082
120 HB3 GLU 17 HB3 GLU 17 -2.910 -4.967 -6.599
121 HG2 GLU 17 HG2 GLU 17 -5.397 -4.521 -6.662
122 HG3 GLU 17 HG3 GLU 17 -5.034 -2.949 -7.375
123 H ASN 18 H ASN 18 -2.663 -5.441 -3.633
124 HA ASN 18 HA ASN 18 -5.211 -6.865 -3.497
125 HB2 ASN 18 HB2 ASN 18 -2.453 -7.291 -2.530
126 HB3 ASN 18 HB3 ASN 18 -3.712 -7.977 -1.508
127 HD21 ASN 18 HD21 ASN 18 -2.390 -8.032 -4.824
128 HD22 ASN 18 HD22 ASN 18 -3.100 -9.512 -5.257
129 H TYR 19 H TYR 19 -4.201 -4.088 -2.024
130 HA TYR 19 HA TYR 19 -5.628 -4.724 0.510
131 HD1 TYR 19 HD1 TYR 19 -1.988 -4.152 -0.755
132 HD2 TYR 19 HD2 TYR 19 -4.093 -4.263 2.989
133 HE1 TYR 19 HE1 TYR 19 -0.300 -5.733 0.147
134 HE2 TYR 19 HE2 TYR 19 -2.408 -5.844 3.890
135 HH TYR 19 HH TYR 19 -0.637 -7.663 2.446
136 HB2 TYR 19 HB2 TYR 19 -3.721 -2.491 -0.212
137 HB3 TYR 19 HB3 TYR 19 -4.603 -2.574 1.316
138 H CYS 20 H CYS 20 -6.854 -4.082 -2.188
139 HA CYS 20 HA CYS 20 -8.219 -1.522 -1.508
140 HB2 CYS 20 HB2 CYS 20 -8.707 -3.081 -4.031
141 HB3 CYS 20 HB3 CYS 20 -8.825 -1.344 -3.760
142 H ASN 21 H ASN 21 -10.501 -1.462 -1.269
143 HA ASN 21 HA ASN 21 -11.768 -3.564 0.059
144 HB2 ASN 21 HB2 ASN 21 -12.595 -1.160 -0.253
145 HB3 ASN 21 HB3 ASN 21 -13.254 -1.697 -1.799
146 HD21 ASN 21 HD21 ASN 21 -13.633 -1.921 1.697
147 HD22 ASN 21 HD22 ASN 21 -15.093 -2.787 1.668
148 HA PHE 1 HA PHE 1 6.738 1.718 -10.229
149 HD1 PHE 1 HD1 PHE 1 4.353 1.300 -11.480
150 HD2 PHE 1 HD2 PHE 1 7.214 0.695 -14.629
151 HE1 PHE 1 HE1 PHE 1 2.709 2.145 -13.134
152 HE2 PHE 1 HE2 PHE 1 5.570 1.540 -16.285
153 HZ PHE 1 HZ PHE 1 3.317 2.264 -15.537
154 H1 PHE 1 H1 PHE 1 6.448 3.155 -12.067
155 H2 PHE 1 H2 PHE 1 7.905 2.659 -12.786
156 H3 PHE 1 H3 PHE 1 7.929 3.580 -11.359
157 HB2 PHE 1 HB2 PHE 1 7.725 -0.021 -12.461
158 HB3 PHE 1 HB3 PHE 1 6.420 -0.311 -11.311
159 H VAL 2 H VAL 2 8.139 0.624 -8.826
160 HA VAL 2 HA VAL 2 10.883 0.007 -9.623
161 HB VAL 2 HB VAL 2 11.159 1.656 -7.279
162 HG11 VAL 2 HG11 VAL 2 12.751 2.860 -8.837
163 HG12 VAL 2 HG12 VAL 2 12.190 1.792 -10.123
164 HG13 VAL 2 HG13 VAL 2 13.014 1.120 -8.716
165 HG21 VAL 2 HG21 VAL 2 9.135 2.815 -8.232
166 HG22 VAL 2 HG22 VAL 2 10.060 3.118 -9.702
167 HG23 VAL 2 HG23 VAL 2 10.571 3.837 -8.175
168 H ASN 3 H ASN 3 11.962 -0.078 -6.992
169 HA ASN 3 HA ASN 3 10.101 -1.963 -5.599
170 HB2 ASN 3 HB2 ASN 3 12.241 -2.809 -6.990
171 HB3 ASN 3 HB3 ASN 3 13.021 -2.481 -5.447
172 HD21 ASN 3 HD21 ASN 3 12.759 -4.042 -3.820
173 HD22 ASN 3 HD22 ASN 3 11.665 -5.338 -3.900
174 H GLN 4 H GLN 4 9.926 0.367 -4.602
175 HA GLN 4 HA GLN 4 12.034 0.720 -2.524
176 HB2 GLN 4 HB2 GLN 4 11.728 2.720 -3.820
177 HB3 GLN 4 HB3 GLN 4 9.974 2.625 -3.662
178 HG2 GLN 4 HG2 GLN 4 10.121 3.041 -1.267
179 HG3 GLN 4 HG3 GLN 4 11.884 3.001 -1.338
180 HE21 GLN 4 HE21 GLN 4 11.322 5.322 -0.352
181 HE22 GLN 4 HE22 GLN 4 11.213 6.578 -1.488
182 H HIS 5 H HIS 5 11.210 1.492 -0.367
183 HA HIS 5 HA HIS 5 9.299 -0.385 0.676
184 HD2 HIS 5 HD2 HIS 5 12.146 -1.108 2.568
185 HE1 HIS 5 HE1 HIS 5 14.609 1.944 0.988
186 HE2 HIS 5 HE2 HIS 5 14.577 -0.421 1.941
187 HB2 HIS 5 HB2 HIS 5 9.987 2.125 2.164
188 HB3 HIS 5 HB3 HIS 5 9.823 0.478 2.770
189 H LEU 6 H LEU 6 7.769 1.193 2.454
190 HA LEU 6 HA LEU 6 6.246 3.133 0.875
191 HG LEU 6 HG LEU 6 3.522 1.322 -0.426
192 HB2 LEU 6 HB2 LEU 6 5.573 0.382 0.842
193 HB3 LEU 6 HB3 LEU 6 4.338 1.201 1.772
194 HD11 LEU 6 HD11 LEU 6 5.164 3.821 -0.518
195 HD12 LEU 6 HD12 LEU 6 3.989 3.595 0.775
196 HD13 LEU 6 HD13 LEU 6 3.462 3.580 -0.907
197 HD21 LEU 6 HD21 LEU 6 4.797 1.317 -2.329
198 HD22 LEU 6 HD22 LEU 6 5.966 0.611 -1.213
199 HD23 LEU 6 HD23 LEU 6 6.054 2.326 -1.616
200 H CYS 7 H CYS 7 4.854 4.365 2.166
201 HA CYS 7 HA CYS 7 3.875 3.748 4.673
202 HB2 CYS 7 HB2 CYS 7 6.724 4.107 4.730
203 HB3 CYS 7 HB3 CYS 7 5.966 5.403 5.651
204 H GLY 8 H GLY 8 2.905 5.600 5.716
205 HA2 GLY 8 HA2 GLY 8 1.849 7.691 5.678
206 HA3 GLY 8 HA3 GLY 8 3.388 8.309 5.081
207 H SER 9 H SER 9 2.648 9.677 3.480
208 HA SER 9 HA SER 9 0.490 9.282 1.735
209 HG SER 9 HG SER 9 0.379 11.437 1.880
210 HB2 SER 9 HB2 SER 9 2.722 11.075 1.924
211 HB3 SER 9 HB3 SER 9 2.532 10.576 0.245
212 H ASP 10 H ASP 10 3.852 8.266 1.337
213 HA ASP 10 HA ASP 10 3.829 7.263 -1.261
214 HB2 ASP 10 HB2 ASP 10 5.017 5.828 1.126
215 HB3 ASP 10 HB3 ASP 10 5.509 5.649 -0.556
216 H LEU 11 H LEU 11 2.901 5.398 1.649
217 HA LEU 11 HA LEU 11 2.027 3.086 0.305
218 HG LEU 11 HG LEU 11 -0.183 2.003 1.916
219 HB2 LEU 11 HB2 LEU 11 2.257 3.545 2.845
220 HB3 LEU 11 HB3 LEU 11 0.600 4.137 2.742
221 HD11 LEU 11 HD11 LEU 11 2.643 1.652 1.281
222 HD12 LEU 11 HD12 LEU 11 1.243 0.807 0.626
223 HD13 LEU 11 HD13 LEU 11 1.988 0.251 2.125
224 HD21 LEU 11 HD21 LEU 11 -0.255 1.404 4.086
225 HD22 LEU 11 HD22 LEU 11 1.210 2.325 4.424
226 HD23 LEU 11 HD23 LEU 11 1.327 0.650 3.887
227 H VAL 12 H VAL 12 0.008 5.902 1.294
228 HA VAL 12 HA VAL 12 -2.342 4.863 0.006
229 HB VAL 12 HB VAL 12 -3.384 6.855 0.587
230 HG11 VAL 12 HG11 VAL 12 -1.616 5.790 2.408
231 HG12 VAL 12 HG12 VAL 12 -2.846 6.999 2.780
232 HG13 VAL 12 HG13 VAL 12 -1.192 7.502 2.431
233 HG21 VAL 12 HG21 VAL 12 -0.731 8.314 0.379
234 HG22 VAL 12 HG22 VAL 12 -2.318 9.040 0.629
235 HG23 VAL 12 HG23 VAL 12 -1.936 8.264 -0.907
236 H GLU 13 H GLU 13 0.118 7.228 -1.061
237 HA GLU 13 HA GLU 13 -0.942 7.871 -3.568
238 HB2 GLU 13 HB2 GLU 13 1.073 8.869 -3.872
239 HB3 GLU 13 HB3 GLU 13 1.497 8.262 -2.276
240 HG2 GLU 13 HG2 GLU 13 2.536 6.296 -3.222
241 HG3 GLU 13 HG3 GLU 13 1.933 6.691 -4.832
242 H ALA 14 H ALA 14 0.390 4.866 -2.432
243 HA ALA 14 HA ALA 14 0.386 3.713 -5.164
244 HB1 ALA 14 HB1 ALA 14 2.185 3.271 -3.309
245 HB2 ALA 14 HB2 ALA 14 1.604 1.914 -4.274
246 HB3 ALA 14 HB3 ALA 14 0.976 2.170 -2.646
247 H LEU 15 H LEU 15 -1.014 2.970 -1.938
248 HA LEU 15 HA LEU 15 -2.827 0.987 -2.705
249 HG LEU 15 HG LEU 15 -1.374 1.990 0.045
250 HB2 LEU 15 HB2 LEU 15 -3.190 3.250 -0.722
251 HB3 LEU 15 HB3 LEU 15 -4.267 1.856 -0.815
252 HD11 LEU 15 HD11 LEU 15 -3.422 0.184 1.229
253 HD12 LEU 15 HD12 LEU 15 -3.612 1.919 1.484
254 HD13 LEU 15 HD13 LEU 15 -2.140 1.106 2.015
255 HD21 LEU 15 HD21 LEU 15 -2.739 -0.327 -1.311
256 HD22 LEU 15 HD22 LEU 15 -1.610 -0.652 0.005
257 HD23 LEU 15 HD23 LEU 15 -1.062 0.206 -1.434
258 H TYR 16 H TYR 16 -3.145 4.514 -2.931
259 HA TYR 16 HA TYR 16 -5.813 4.487 -4.043
260 HD1 TYR 16 HD1 TYR 16 -7.261 5.959 -4.633
261 HD2 TYR 16 HD2 TYR 16 -4.605 7.820 -1.814
262 HE1 TYR 16 HE1 TYR 16 -9.210 6.872 -3.399
263 HE2 TYR 16 HE2 TYR 16 -6.554 8.733 -0.580
264 HH TYR 16 HH TYR 16 -9.501 9.043 -1.769
265 HB2 TYR 16 HB2 TYR 16 -3.722 6.447 -3.473
266 HB3 TYR 16 HB3 TYR 16 -4.531 6.779 -5.002
267 H LEU 17 H LEU 17 -2.548 4.661 -5.435
268 HA LEU 17 HA LEU 17 -3.417 4.803 -8.169
269 HG LEU 17 HG LEU 17 -0.902 2.886 -9.049
270 HB2 LEU 17 HB2 LEU 17 -1.198 5.549 -7.629
271 HB3 LEU 17 HB3 LEU 17 -0.795 3.992 -6.904
272 HD11 LEU 17 HD11 LEU 17 -2.430 5.283 -9.746
273 HD12 LEU 17 HD12 LEU 17 -2.437 3.690 -10.503
274 HD13 LEU 17 HD13 LEU 17 -1.217 4.879 -10.961
275 HD21 LEU 17 HD21 LEU 17 0.747 4.421 -10.366
276 HD22 LEU 17 HD22 LEU 17 1.241 3.822 -8.783
277 HD23 LEU 17 HD23 LEU 17 0.644 5.472 -8.954
278 H VAL 18 H VAL 18 -2.146 2.090 -6.247
279 HA VAL 18 HA VAL 18 -2.274 0.075 -8.179
280 HB VAL 18 HB VAL 18 -2.496 -1.528 -6.402
281 HG11 VAL 18 HG11 VAL 18 -0.416 -0.892 -5.866
282 HG12 VAL 18 HG12 VAL 18 -1.134 0.073 -4.575
283 HG13 VAL 18 HG13 VAL 18 -0.797 0.807 -6.143
284 HG21 VAL 18 HG21 VAL 18 -4.494 -0.332 -5.368
285 HG22 VAL 18 HG22 VAL 18 -3.330 0.721 -4.564
286 HG23 VAL 18 HG23 VAL 18 -3.336 -1.006 -4.225
287 H CYS 19 H CYS 19 -4.852 1.613 -6.394
288 HA CYS 19 HA CYS 19 -6.758 0.187 -8.168
289 HB2 CYS 19 HB2 CYS 19 -6.966 0.602 -5.185
290 HB3 CYS 19 HB3 CYS 19 -8.340 0.162 -6.194
291 H GLY 20 H GLY 20 -7.222 2.608 -5.574
292 HA2 GLY 20 HA2 GLY 20 -7.367 5.024 -6.288
293 HA3 GLY 20 HA3 GLY 20 -8.258 4.447 -7.693
294 H GLU 21 H GLU 21 -10.435 4.474 -7.540
295 HA GLU 21 HA GLU 21 -11.746 5.444 -5.169
296 HB2 GLU 21 HB2 GLU 21 -12.389 5.386 -7.804
297 HB3 GLU 21 HB3 GLU 21 -13.386 4.059 -7.207
298 HG2 GLU 21 HG2 GLU 21 -14.854 5.542 -6.374
299 HG3 GLU 21 HG3 GLU 21 -13.590 6.203 -5.335
300 H ARG 22 H ARG 22 -10.570 2.372 -5.758
301 HA ARG 22 HA ARG 22 -12.817 0.852 -4.693
302 HE ARG 22 HE ARG 22 -13.013 -2.849 -7.183
303 HB2 ARG 22 HB2 ARG 22 -10.058 0.298 -5.598
304 HB3 ARG 22 HB3 ARG 22 -10.669 -0.780 -4.349
305 HG2 ARG 22 HG2 ARG 22 -12.111 -0.144 -6.939
306 HG3 ARG 22 HG3 ARG 22 -11.176 -1.609 -6.644
307 HD2 ARG 22 HD2 ARG 22 -12.707 -1.896 -4.559
308 HD3 ARG 22 HD3 ARG 22 -13.765 -0.742 -5.373
309 HH11 ARG 22 HH11 ARG 22 -15.511 -1.500 -5.405
310 HH12 ARG 22 HH12 ARG 22 -16.486 -2.930 -5.352
311 HH21 ARG 22 HH21 ARG 22 -14.037 -4.970 -6.718
312 HH22 ARG 22 HH22 ARG 22 -15.652 -4.896 -6.097
313 H GLY 23 H GLY 23 -10.600 2.949 -3.295
314 HA2 GLY 23 HA2 GLY 23 -10.136 3.429 -1.044
315 HA3 GLY 23 HA3 GLY 23 -11.445 2.325 -0.621
316 H PHE 24 H PHE 24 -8.833 2.547 0.694
317 HA PHE 24 HA PHE 24 -7.878 -0.238 0.179
318 HD1 PHE 24 HD1 PHE 24 -6.300 2.775 2.674
319 HD2 PHE 24 HD2 PHE 24 -6.339 3.016 -1.617
320 HE1 PHE 24 HE1 PHE 24 -6.274 5.254 2.811
321 HE2 PHE 24 HE2 PHE 24 -6.313 5.491 -1.476
322 HZ PHE 24 HZ PHE 24 -6.271 6.612 0.734
323 HB2 PHE 24 HB2 PHE 24 -5.642 0.819 1.159
324 HB3 PHE 24 HB3 PHE 24 -6.021 0.922 -0.559
325 H PHE 25 H PHE 25 -6.283 -0.696 2.275
326 HA PHE 25 HA PHE 25 -7.952 -0.035 4.669
327 HD1 PHE 25 HD1 PHE 25 -6.820 -1.301 7.021
328 HD2 PHE 25 HD2 PHE 25 -9.764 -3.340 4.644
329 HE1 PHE 25 HE1 PHE 25 -8.213 -1.649 9.045
330 HE2 PHE 25 HE2 PHE 25 -11.156 -3.688 6.668
331 HZ PHE 25 HZ PHE 25 -10.381 -2.842 8.868
332 HB2 PHE 25 HB2 PHE 25 -7.859 -2.500 3.609
333 HB3 PHE 25 HB3 PHE 25 -6.403 -2.582 4.600
334 H TYR 26 H TYR 26 -6.544 1.639 5.350
335 HA TYR 26 HA TYR 26 -3.677 1.296 5.523
336 HD1 TYR 26 HD1 TYR 26 -2.673 2.744 4.516
337 HD2 TYR 26 HD2 TYR 26 -3.554 4.634 8.272
338 HE1 TYR 26 HE1 TYR 26 -0.408 3.755 4.537
339 HE2 TYR 26 HE2 TYR 26 -1.289 5.644 8.296
340 HH TYR 26 HH TYR 26 1.194 4.633 6.620
341 HB2 TYR 26 HB2 TYR 26 -5.212 3.468 5.579
342 HB3 TYR 26 HB3 TYR 26 -5.127 3.203 7.321
343 H THR 27 H THR 27 -2.657 1.614 7.884
344 HA THR 27 HA THR 27 -4.155 -0.030 9.860
345 HB THR 27 HB THR 27 -1.670 -1.078 10.171
346 HG1 THR 27 HG1 THR 27 -0.826 -1.451 8.132
347 HG21 THR 27 HG21 THR 27 -3.755 -2.071 8.207
348 HG22 THR 27 HG22 THR 27 -3.823 -2.299 9.955
349 HG23 THR 27 HG23 THR 27 -2.535 -3.054 9.017
350 H LYS 28 H LYS 28 -4.168 2.351 10.648
351 HA LYS 28 HA LYS 28 -1.609 3.197 11.862
352 HB2 LYS 28 HB2 LYS 28 -3.984 4.562 11.020
353 HB3 LYS 28 HB3 LYS 28 -3.813 4.790 12.750
354 HG2 LYS 28 HG2 LYS 28 -2.628 6.479 11.138
355 HG3 LYS 28 HG3 LYS 28 -1.784 5.914 12.573
356 HD2 LYS 28 HD2 LYS 28 -1.375 4.233 10.166
357 HD3 LYS 28 HD3 LYS 28 -0.719 5.866 10.051
358 HE2 LYS 28 HE2 LYS 28 -0.136 4.779 12.654
359 HE3 LYS 28 HE3 LYS 28 0.414 3.660 11.407
360 HZ1 LYS 28 HZ1 LYS 28 1.190 5.998 10.387
361 HZ2 LYS 28 HZ2 LYS 28 2.181 5.014 11.354
362 HZ3 LYS 28 HZ3 LYS 28 1.349 6.325 12.044
363 HA PRO 29 HA PRO 29 -4.170 2.576 15.789
364 HB2 PRO 29 HB2 PRO 29 -6.783 1.803 15.568
365 HB3 PRO 29 HB3 PRO 29 -6.255 3.492 15.478
366 HG2 PRO 29 HG2 PRO 29 -7.183 1.709 13.285
367 HG3 PRO 29 HG3 PRO 29 -7.246 3.475 13.405
368 HD2 PRO 29 HD2 PRO 29 -5.348 1.945 11.948
369 HD3 PRO 29 HD3 PRO 29 -5.287 3.689 12.272
370 H THR 30 H THR 30 -5.676 0.560 16.837
371 HA THR 30 HA THR 30 -5.470 -1.719 17.388
372 HB THR 30 HB THR 30 -5.708 -3.214 15.284
373 HG1 THR 30 HG1 THR 30 -4.887 -1.479 13.920
374 HG21 THR 30 HG21 THR 30 -7.520 -1.800 16.820
375 HG22 THR 30 HG22 THR 30 -7.933 -3.052 15.648
376 HG23 THR 30 HG23 THR 30 -7.969 -1.354 15.174
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 -1.752 -4.399 9.108
2 H2 GLY 1 H2 GLY 1 -1.693 -2.785 9.635
3 H3 GLY 1 H3 GLY 1 -1.546 -4.052 10.757
4 HA2 GLY 1 HA2 GLY 1 0.563 -2.838 9.714
5 HA3 GLY 1 HA3 GLY 1 0.640 -4.506 10.355
6 H ILE 2 H ILE 2 -0.987 -3.062 7.464
7 HA ILE 2 HA ILE 2 0.801 -4.074 5.532
8 HB ILE 2 HB ILE 2 -1.360 -3.382 4.788
9 HG12 ILE 2 HG12 ILE 2 0.919 -1.689 3.758
10 HG13 ILE 2 HG13 ILE 2 0.126 -3.061 2.990
11 HG21 ILE 2 HG21 ILE 2 -1.173 -1.410 6.661
12 HG22 ILE 2 HG22 ILE 2 -2.400 -1.450 5.395
13 HG23 ILE 2 HG23 ILE 2 -0.942 -0.481 5.180
14 HD11 ILE 2 HD11 ILE 2 -1.986 -1.404 3.177
15 HD12 ILE 2 HD12 ILE 2 -0.887 -1.382 1.797
16 HD13 ILE 2 HD13 ILE 2 -0.697 -0.202 3.094
17 HA ABA 3 HA ABA 3 2.661 0.480 5.322
18 H ABA 3 H ABA 3 0.574 -0.698 6.619
19 HB2 ABA 3 HB2 ABA 3 3.084 1.285 7.996
20 HB3 ABA 3 HB3 ABA 3 2.168 2.132 6.759
21 HG1 ABA 3 HG1 ABA 3 0.936 1.588 8.946
22 HG2 ABA 3 HG2 ABA 3 0.953 -0.091 8.405
23 HG3 ABA 3 HG3 ABA 3 0.123 1.136 7.448
24 H GLU 4 H GLU 4 3.390 -0.558 8.609
25 HA GLU 4 HA GLU 4 6.060 -0.720 8.689
26 HB2 GLU 4 HB2 GLU 4 4.100 -1.912 10.154
27 HB3 GLU 4 HB3 GLU 4 4.887 -3.319 9.442
28 HG2 GLU 4 HG2 GLU 4 7.092 -2.405 10.219
29 HG3 GLU 4 HG3 GLU 4 6.211 -1.131 11.064
30 H GLN 5 H GLN 5 4.171 -3.371 7.186
31 HA GLN 5 HA GLN 5 6.549 -4.663 6.129
32 HB2 GLN 5 HB2 GLN 5 4.085 -5.578 6.588
33 HB3 GLN 5 HB3 GLN 5 3.855 -5.100 4.905
34 HG2 GLN 5 HG2 GLN 5 6.124 -6.374 4.528
35 HG3 GLN 5 HG3 GLN 5 5.705 -7.171 6.044
36 HE21 GLN 5 HE21 GLN 5 4.871 -9.185 5.442
37 HE22 GLN 5 HE22 GLN 5 3.662 -9.418 4.274
38 H CYS 6 H CYS 6 3.998 -2.608 4.782
39 HA CYS 6 HA CYS 6 5.355 -2.428 2.174
40 HB2 CYS 6 HB2 CYS 6 2.787 -1.330 3.362
41 HB3 CYS 6 HB3 CYS 6 3.347 -0.861 1.780
42 H CYS 7 H CYS 7 6.526 -1.351 4.754
43 HA CYS 7 HA CYS 7 7.097 1.380 3.763
44 HB2 CYS 7 HB2 CYS 7 5.314 1.744 5.357
45 HB3 CYS 7 HB3 CYS 7 6.095 0.716 6.536
46 H THR 8 H THR 8 7.971 -1.351 5.849
47 HA THR 8 HA THR 8 10.681 -0.179 6.219
48 HB THR 8 HB THR 8 11.026 -1.876 7.896
49 HG1 THR 8 HG1 THR 8 10.177 -3.698 7.195
50 HG21 THR 8 HG21 THR 8 8.237 -0.710 8.002
51 HG22 THR 8 HG22 THR 8 9.702 -0.067 8.746
52 HG23 THR 8 HG23 THR 8 8.981 -1.555 9.359
53 H SER 9 H SER 9 8.917 -2.887 4.844
54 HA SER 9 HA SER 9 11.409 -3.889 3.552
55 HG SER 9 HG SER 9 8.476 -5.430 5.217
56 HB2 SER 9 HB2 SER 9 8.784 -5.269 3.170
57 HB3 SER 9 HB3 SER 9 10.391 -5.959 3.381
58 H ILE 10 H ILE 10 9.375 -5.026 1.442
59 HA ILE 10 HA ILE 10 9.087 -2.456 -0.055
60 HB ILE 10 HB ILE 10 10.231 -5.090 -0.917
61 HG12 ILE 10 HG12 ILE 10 11.590 -3.330 -2.290
62 HG13 ILE 10 HG13 ILE 10 10.882 -2.170 -1.165
63 HG21 ILE 10 HG21 ILE 10 9.869 -4.325 -3.307
64 HG22 ILE 10 HG22 ILE 10 8.720 -3.144 -2.678
65 HG23 ILE 10 HG23 ILE 10 8.410 -4.869 -2.478
66 HD11 ILE 10 HD11 ILE 10 11.992 -3.063 0.669
67 HD12 ILE 10 HD12 ILE 10 13.184 -3.347 -0.599
68 HD13 ILE 10 HD13 ILE 10 12.133 -4.660 -0.066
69 H CYS 11 H CYS 11 7.334 -2.453 -1.631
70 HA CYS 11 HA CYS 11 5.343 -4.620 -1.448
71 HB2 CYS 11 HB2 CYS 11 5.026 -1.993 -0.134
72 HB3 CYS 11 HB3 CYS 11 3.644 -2.558 -1.071
73 H SER 12 H SER 12 4.849 -5.006 -3.508
74 HA SER 12 HA SER 12 5.345 -3.023 -5.586
75 HG SER 12 HG SER 12 4.684 -6.942 -5.791
76 HB2 SER 12 HB2 SER 12 3.968 -5.044 -6.820
77 HB3 SER 12 HB3 SER 12 5.713 -5.023 -6.583
78 H LEU 13 H LEU 13 3.790 -2.246 -7.053
79 HA LEU 13 HA LEU 13 1.473 -1.116 -5.913
80 HG LEU 13 HG LEU 13 1.882 -2.960 -8.858
81 HB2 LEU 13 HB2 LEU 13 0.863 -0.542 -8.234
82 HB3 LEU 13 HB3 LEU 13 2.577 -0.237 -7.928
83 HD11 LEU 13 HD11 LEU 13 1.476 -0.472 -10.488
84 HD12 LEU 13 HD12 LEU 13 0.493 -1.935 -10.430
85 HD13 LEU 13 HD13 LEU 13 2.045 -1.947 -11.268
86 HD21 LEU 13 HD21 LEU 13 4.123 -1.047 -8.911
87 HD22 LEU 13 HD22 LEU 13 3.923 -1.961 -10.406
88 HD23 LEU 13 HD23 LEU 13 4.150 -2.811 -8.878
89 H TYR 14 H TYR 14 1.921 -4.375 -6.804
90 HA TYR 14 HA TYR 14 -0.987 -4.702 -7.337
91 HD1 TYR 14 HD1 TYR 14 0.426 -8.187 -6.026
92 HD2 TYR 14 HD2 TYR 14 -1.667 -6.979 -9.579
93 HE1 TYR 14 HE1 TYR 14 -1.061 -10.163 -5.821
94 HE2 TYR 14 HE2 TYR 14 -3.155 -8.954 -9.375
95 HH TYR 14 HH TYR 14 -2.797 -11.405 -8.166
96 HB2 TYR 14 HB2 TYR 14 0.354 -5.888 -8.961
97 HB3 TYR 14 HB3 TYR 14 1.396 -6.543 -7.699
98 H GLN 15 H GLN 15 1.648 -5.518 -5.268
99 HA GLN 15 HA GLN 15 0.237 -7.202 -3.419
100 HB2 GLN 15 HB2 GLN 15 2.764 -5.676 -3.609
101 HB3 GLN 15 HB3 GLN 15 2.156 -5.886 -1.970
102 HG2 GLN 15 HG2 GLN 15 2.444 -8.169 -3.927
103 HG3 GLN 15 HG3 GLN 15 3.714 -7.717 -2.791
104 HE21 GLN 15 HE21 GLN 15 2.509 -7.284 -0.411
105 HE22 GLN 15 HE22 GLN 15 1.573 -8.611 0.084
106 H LEU 16 H LEU 16 0.667 -3.799 -3.956
107 HA LEU 16 HA LEU 16 -0.730 -2.954 -1.519
108 HG LEU 16 HG LEU 16 2.084 -2.483 -2.781
109 HB2 LEU 16 HB2 LEU 16 0.245 -1.436 -3.954
110 HB3 LEU 16 HB3 LEU 16 -0.344 -0.707 -2.464
111 HD11 LEU 16 HD11 LEU 16 2.021 0.252 -1.551
112 HD12 LEU 16 HD12 LEU 16 2.113 0.068 -3.303
113 HD13 LEU 16 HD13 LEU 16 3.378 -0.610 -2.277
114 HD21 LEU 16 HD21 LEU 16 2.143 -1.607 -0.199
115 HD22 LEU 16 HD22 LEU 16 1.524 -3.183 -0.694
116 HD23 LEU 16 HD23 LEU 16 0.410 -1.840 -0.438
117 H GLU 17 H GLU 17 -1.408 -3.829 -4.752
118 HA GLU 17 HA GLU 17 -3.951 -2.443 -4.928
119 HB2 GLU 17 HB2 GLU 17 -2.623 -3.137 -6.925
120 HB3 GLU 17 HB3 GLU 17 -2.885 -4.821 -6.483
121 HG2 GLU 17 HG2 GLU 17 -5.415 -4.196 -6.496
122 HG3 GLU 17 HG3 GLU 17 -4.900 -2.796 -7.437
123 H ASN 18 H ASN 18 -2.715 -5.380 -3.570
124 HA ASN 18 HA ASN 18 -5.274 -6.784 -3.461
125 HB2 ASN 18 HB2 ASN 18 -2.782 -7.697 -3.349
126 HB3 ASN 18 HB3 ASN 18 -3.014 -7.456 -1.617
127 HD21 ASN 18 HD21 ASN 18 -5.753 -8.127 -1.351
128 HD22 ASN 18 HD22 ASN 18 -5.966 -9.762 -1.754
129 H TYR 19 H TYR 19 -4.090 -4.138 -1.773
130 HA TYR 19 HA TYR 19 -5.404 -4.918 0.769
131 HD1 TYR 19 HD1 TYR 19 -1.894 -4.374 -0.329
132 HD2 TYR 19 HD2 TYR 19 -4.063 -3.915 3.354
133 HE1 TYR 19 HE1 TYR 19 -0.205 -5.765 0.839
134 HE2 TYR 19 HE2 TYR 19 -2.371 -5.306 4.520
135 HH TYR 19 HH TYR 19 0.555 -6.416 2.864
136 HB2 TYR 19 HB2 TYR 19 -3.632 -2.627 -0.052
137 HB3 TYR 19 HB3 TYR 19 -4.590 -2.544 1.427
138 H CYS 20 H CYS 20 -6.583 -3.924 -2.052
139 HA CYS 20 HA CYS 20 -8.198 -1.662 -1.066
140 HB2 CYS 20 HB2 CYS 20 -8.763 -3.064 -3.655
141 HB3 CYS 20 HB3 CYS 20 -8.892 -1.351 -3.263
142 H ASN 21 H ASN 21 -10.684 -1.980 -1.870
143 HA ASN 21 HA ASN 21 -11.778 -3.957 -0.074
144 HB2 ASN 21 HB2 ASN 21 -12.794 -1.692 -0.933
145 HB3 ASN 21 HB3 ASN 21 -13.389 -2.680 -2.268
146 HD21 ASN 21 HD21 ASN 21 -13.238 -2.844 1.342
147 HD22 ASN 21 HD22 ASN 21 -14.788 -3.514 1.518
148 HA PHE 1 HA PHE 1 7.881 -1.257 -12.302
149 HD1 PHE 1 HD1 PHE 1 9.225 1.371 -12.286
150 HD2 PHE 1 HD2 PHE 1 4.966 0.930 -12.663
151 HE1 PHE 1 HE1 PHE 1 9.278 2.665 -14.404
152 HE2 PHE 1 HE2 PHE 1 5.020 2.224 -14.780
153 HZ PHE 1 HZ PHE 1 7.175 3.090 -15.650
154 H1 PHE 1 H1 PHE 1 7.287 -3.065 -10.990
155 H2 PHE 1 H2 PHE 1 5.973 -2.003 -10.819
156 H3 PHE 1 H3 PHE 1 7.130 -2.131 -9.583
157 HB2 PHE 1 HB2 PHE 1 6.035 0.099 -10.761
158 HB3 PHE 1 HB3 PHE 1 7.557 0.843 -10.271
159 H VAL 2 H VAL 2 8.388 -0.860 -8.776
160 HA VAL 2 HA VAL 2 11.312 -1.159 -9.286
161 HB VAL 2 HB VAL 2 11.751 0.643 -7.635
162 HG11 VAL 2 HG11 VAL 2 11.018 2.533 -9.076
163 HG12 VAL 2 HG12 VAL 2 9.950 1.432 -9.946
164 HG13 VAL 2 HG13 VAL 2 11.698 1.207 -10.021
165 HG21 VAL 2 HG21 VAL 2 10.101 1.502 -6.348
166 HG22 VAL 2 HG22 VAL 2 9.061 0.225 -6.978
167 HG23 VAL 2 HG23 VAL 2 9.082 1.808 -7.755
168 H ASN 3 H ASN 3 12.054 -0.836 -6.539
169 HA ASN 3 HA ASN 3 10.442 -2.872 -5.099
170 HB2 ASN 3 HB2 ASN 3 13.002 -3.342 -6.351
171 HB3 ASN 3 HB3 ASN 3 13.118 -3.580 -4.610
172 HD21 ASN 3 HD21 ASN 3 10.939 -4.456 -7.355
173 HD22 ASN 3 HD22 ASN 3 10.550 -5.991 -6.745
174 H GLN 4 H GLN 4 10.274 -0.395 -4.269
175 HA GLN 4 HA GLN 4 12.325 -0.057 -2.121
176 HB2 GLN 4 HB2 GLN 4 11.596 1.760 -4.028
177 HB3 GLN 4 HB3 GLN 4 10.521 2.208 -2.703
178 HG2 GLN 4 HG2 GLN 4 12.667 2.043 -1.227
179 HG3 GLN 4 HG3 GLN 4 13.530 2.172 -2.759
180 HE21 GLN 4 HE21 GLN 4 14.276 4.330 -1.809
181 HE22 GLN 4 HE22 GLN 4 13.259 5.676 -1.994
182 H HIS 5 H HIS 5 11.117 1.509 -0.339
183 HA HIS 5 HA HIS 5 8.896 -0.191 0.667
184 HD2 HIS 5 HD2 HIS 5 12.594 2.539 1.650
185 HE1 HIS 5 HE1 HIS 5 14.037 -1.433 1.778
186 HE2 HIS 5 HE2 HIS 5 14.700 1.017 1.514
187 HB2 HIS 5 HB2 HIS 5 9.966 1.942 2.416
188 HB3 HIS 5 HB3 HIS 5 9.660 0.244 2.772
189 H LEU 6 H LEU 6 7.127 1.058 1.882
190 HA LEU 6 HA LEU 6 6.562 3.662 0.534
191 HG LEU 6 HG LEU 6 3.805 3.701 -0.606
192 HB2 LEU 6 HB2 LEU 6 5.196 1.185 0.255
193 HB3 LEU 6 HB3 LEU 6 4.145 2.239 1.175
194 HD11 LEU 6 HD11 LEU 6 5.502 3.619 -2.608
195 HD12 LEU 6 HD12 LEU 6 6.582 2.854 -1.443
196 HD13 LEU 6 HD13 LEU 6 5.966 4.478 -1.140
197 HD21 LEU 6 HD21 LEU 6 4.178 0.895 -1.436
198 HD22 LEU 6 HD22 LEU 6 4.143 2.065 -2.755
199 HD23 LEU 6 HD23 LEU 6 2.787 1.962 -1.631
200 H CYS 7 H CYS 7 5.809 5.252 1.889
201 HA CYS 7 HA CYS 7 4.432 4.495 4.353
202 HB2 CYS 7 HB2 CYS 7 6.830 6.285 4.715
203 HB3 CYS 7 HB3 CYS 7 5.950 5.355 5.922
204 H GLY 8 H GLY 8 3.192 6.228 5.193
205 HA2 GLY 8 HA2 GLY 8 2.075 8.287 5.148
206 HA3 GLY 8 HA3 GLY 8 3.518 8.963 4.397
207 H SER 9 H SER 9 2.397 10.191 2.861
208 HA SER 9 HA SER 9 0.234 9.424 1.270
209 HG SER 9 HG SER 9 0.245 11.586 1.900
210 HB2 SER 9 HB2 SER 9 2.475 11.351 0.953
211 HB3 SER 9 HB3 SER 9 1.571 10.943 -0.502
212 H ASP 10 H ASP 10 3.627 8.599 0.892
213 HA ASP 10 HA ASP 10 3.576 7.601 -1.752
214 HB2 ASP 10 HB2 ASP 10 5.078 6.256 0.498
215 HB3 ASP 10 HB3 ASP 10 5.542 6.377 -1.199
216 H LEU 11 H LEU 11 2.494 6.145 1.272
217 HA LEU 11 HA LEU 11 1.967 3.549 0.092
218 HG LEU 11 HG LEU 11 -0.301 2.655 2.185
219 HB2 LEU 11 HB2 LEU 11 2.377 3.989 2.552
220 HB3 LEU 11 HB3 LEU 11 0.768 4.706 2.620
221 HD11 LEU 11 HD11 LEU 11 2.394 1.654 1.215
222 HD12 LEU 11 HD12 LEU 11 0.960 1.943 0.232
223 HD13 LEU 11 HD13 LEU 11 0.974 0.629 1.408
224 HD21 LEU 11 HD21 LEU 11 0.891 2.777 4.409
225 HD22 LEU 11 HD22 LEU 11 2.193 1.827 3.693
226 HD23 LEU 11 HD23 LEU 11 0.577 1.136 3.845
227 H VAL 12 H VAL 12 -0.076 6.373 0.923
228 HA VAL 12 HA VAL 12 -2.475 5.080 -0.090
229 HB VAL 12 HB VAL 12 -3.607 6.994 0.541
230 HG11 VAL 12 HG11 VAL 12 -1.201 7.862 2.044
231 HG12 VAL 12 HG12 VAL 12 -1.697 6.183 2.257
232 HG13 VAL 12 HG13 VAL 12 -2.823 7.489 2.628
233 HG21 VAL 12 HG21 VAL 12 -2.489 8.434 -1.182
234 HG22 VAL 12 HG22 VAL 12 -1.146 8.667 -0.062
235 HG23 VAL 12 HG23 VAL 12 -2.751 9.270 0.349
236 H GLU 13 H GLU 13 -0.304 7.617 -1.359
237 HA GLU 13 HA GLU 13 -1.508 8.082 -3.827
238 HB2 GLU 13 HB2 GLU 13 0.567 8.899 -4.561
239 HB3 GLU 13 HB3 GLU 13 0.720 9.013 -2.809
240 HG2 GLU 13 HG2 GLU 13 2.716 7.954 -3.358
241 HG3 GLU 13 HG3 GLU 13 1.679 6.565 -3.039
242 H ALA 14 H ALA 14 0.123 5.228 -2.669
243 HA ALA 14 HA ALA 14 0.141 3.984 -5.352
244 HB1 ALA 14 HB1 ALA 14 0.857 2.761 -2.669
245 HB2 ALA 14 HB2 ALA 14 2.013 3.600 -3.704
246 HB3 ALA 14 HB3 ALA 14 1.244 2.114 -4.263
247 H LEU 15 H LEU 15 -1.286 3.349 -2.123
248 HA LEU 15 HA LEU 15 -3.021 1.265 -2.879
249 HG LEU 15 HG LEU 15 -1.518 2.034 -0.218
250 HB2 LEU 15 HB2 LEU 15 -3.286 3.469 -0.826
251 HB3 LEU 15 HB3 LEU 15 -4.459 2.155 -0.944
252 HD11 LEU 15 HD11 LEU 15 -2.241 1.164 1.787
253 HD12 LEU 15 HD12 LEU 15 -3.705 0.477 1.083
254 HD13 LEU 15 HD13 LEU 15 -3.601 2.212 1.386
255 HD21 LEU 15 HD21 LEU 15 -1.756 0.300 -1.913
256 HD22 LEU 15 HD22 LEU 15 -3.244 -0.281 -1.171
257 HD23 LEU 15 HD23 LEU 15 -1.706 -0.476 -0.330
258 H TYR 16 H TYR 16 -3.468 4.789 -3.049
259 HA TYR 16 HA TYR 16 -6.169 4.652 -4.052
260 HD1 TYR 16 HD1 TYR 16 -7.701 6.296 -4.749
261 HD2 TYR 16 HD2 TYR 16 -5.027 7.789 -1.734
262 HE1 TYR 16 HE1 TYR 16 -9.640 7.114 -3.435
263 HE2 TYR 16 HE2 TYR 16 -6.967 8.608 -0.420
264 HH TYR 16 HH TYR 16 -10.016 8.963 -1.671
265 HB2 TYR 16 HB2 TYR 16 -4.144 6.708 -3.597
266 HB3 TYR 16 HB3 TYR 16 -5.042 6.989 -5.087
267 H LEU 17 H LEU 17 -2.971 4.713 -5.590
268 HA LEU 17 HA LEU 17 -4.074 4.818 -8.279
269 HG LEU 17 HG LEU 17 -1.525 3.055 -9.329
270 HB2 LEU 17 HB2 LEU 17 -1.875 5.739 -7.958
271 HB3 LEU 17 HB3 LEU 17 -1.298 4.239 -7.230
272 HD11 LEU 17 HD11 LEU 17 -3.602 4.226 -10.062
273 HD12 LEU 17 HD12 LEU 17 -2.391 4.150 -11.342
274 HD13 LEU 17 HD13 LEU 17 -2.635 5.650 -10.447
275 HD21 LEU 17 HD21 LEU 17 -0.258 5.783 -9.753
276 HD22 LEU 17 HD22 LEU 17 0.046 4.356 -10.744
277 HD23 LEU 17 HD23 LEU 17 0.536 4.374 -9.050
278 H VAL 18 H VAL 18 -2.548 2.272 -6.319
279 HA VAL 18 HA VAL 18 -2.668 0.177 -8.187
280 HB VAL 18 HB VAL 18 -2.586 -1.362 -6.362
281 HG11 VAL 18 HG11 VAL 18 -0.561 -0.535 -5.932
282 HG12 VAL 18 HG12 VAL 18 -1.296 0.478 -4.687
283 HG13 VAL 18 HG13 VAL 18 -1.099 1.096 -6.328
284 HG21 VAL 18 HG21 VAL 18 -4.577 -0.525 -5.142
285 HG22 VAL 18 HG22 VAL 18 -3.645 0.875 -4.613
286 HG23 VAL 18 HG23 VAL 18 -3.195 -0.737 -4.069
287 H CYS 19 H CYS 19 -5.210 1.727 -6.406
288 HA CYS 19 HA CYS 19 -7.126 0.046 -7.914
289 HB2 CYS 19 HB2 CYS 19 -7.142 0.615 -4.955
290 HB3 CYS 19 HB3 CYS 19 -8.588 0.107 -5.823
291 H GLY 20 H GLY 20 -7.441 2.676 -5.494
292 HA2 GLY 20 HA2 GLY 20 -7.867 4.998 -6.348
293 HA3 GLY 20 HA3 GLY 20 -8.835 4.255 -7.620
294 H GLU 21 H GLU 21 -10.984 4.349 -7.261
295 HA GLU 21 HA GLU 21 -12.078 5.220 -4.740
296 HB2 GLU 21 HB2 GLU 21 -12.987 5.275 -7.280
297 HB3 GLU 21 HB3 GLU 21 -13.851 3.853 -6.694
298 HG2 GLU 21 HG2 GLU 21 -14.652 5.198 -4.745
299 HG3 GLU 21 HG3 GLU 21 -13.884 6.619 -5.454
300 H ARG 22 H ARG 22 -10.918 2.203 -5.627
301 HA ARG 22 HA ARG 22 -12.957 0.535 -4.434
302 HE ARG 22 HE ARG 22 -9.745 -3.234 -5.625
303 HB2 ARG 22 HB2 ARG 22 -10.469 0.147 -5.781
304 HB3 ARG 22 HB3 ARG 22 -10.395 -0.719 -4.246
305 HG2 ARG 22 HG2 ARG 22 -12.998 -1.105 -5.401
306 HG3 ARG 22 HG3 ARG 22 -11.775 -1.491 -6.612
307 HD2 ARG 22 HD2 ARG 22 -11.290 -2.519 -3.862
308 HD3 ARG 22 HD3 ARG 22 -12.602 -3.275 -4.767
309 HH11 ARG 22 HH11 ARG 22 -11.388 -5.692 -4.757
310 HH12 ARG 22 HH12 ARG 22 -11.721 -6.410 -6.298
311 HH21 ARG 22 HH21 ARG 22 -10.871 -3.571 -8.100
312 HH22 ARG 22 HH22 ARG 22 -11.430 -5.208 -8.192
313 H GLY 23 H GLY 23 -10.864 2.758 -3.078
314 HA2 GLY 23 HA2 GLY 23 -10.353 3.227 -0.837
315 HA3 GLY 23 HA3 GLY 23 -11.536 1.996 -0.393
316 H PHE 24 H PHE 24 -8.835 2.501 0.737
317 HA PHE 24 HA PHE 24 -7.686 -0.206 0.200
318 HD1 PHE 24 HD1 PHE 24 -7.479 3.092 -1.408
319 HD2 PHE 24 HD2 PHE 24 -5.296 3.026 2.295
320 HE1 PHE 24 HE1 PHE 24 -7.657 5.565 -1.258
321 HE2 PHE 24 HE2 PHE 24 -5.474 5.497 2.442
322 HZ PHE 24 HZ PHE 24 -6.647 6.767 0.666
323 HB2 PHE 24 HB2 PHE 24 -5.497 1.048 1.021
324 HB3 PHE 24 HB3 PHE 24 -5.993 1.114 -0.668
325 H PHE 25 H PHE 25 -6.761 -1.258 2.058
326 HA PHE 25 HA PHE 25 -8.055 -0.451 4.583
327 HD1 PHE 25 HD1 PHE 25 -9.881 -2.790 3.913
328 HD2 PHE 25 HD2 PHE 25 -6.925 -2.798 7.033
329 HE1 PHE 25 HE1 PHE 25 -11.635 -3.356 5.573
330 HE2 PHE 25 HE2 PHE 25 -8.680 -3.365 8.694
331 HZ PHE 25 HZ PHE 25 -11.035 -3.644 7.963
332 HB2 PHE 25 HB2 PHE 25 -7.445 -2.902 3.416
333 HB3 PHE 25 HB3 PHE 25 -6.262 -2.755 4.715
334 H TYR 26 H TYR 26 -6.633 1.524 4.746
335 HA TYR 26 HA TYR 26 -3.797 1.024 5.376
336 HD1 TYR 26 HD1 TYR 26 -1.891 2.522 5.483
337 HD2 TYR 26 HD2 TYR 26 -5.006 5.116 6.908
338 HE1 TYR 26 HE1 TYR 26 -0.251 3.698 6.926
339 HE2 TYR 26 HE2 TYR 26 -3.367 6.292 8.352
340 HH TYR 26 HH TYR 26 -0.200 5.068 8.908
341 HB2 TYR 26 HB2 TYR 26 -4.211 3.064 4.200
342 HB3 TYR 26 HB3 TYR 26 -5.509 3.517 5.299
343 H THR 27 H THR 27 -3.645 -0.065 7.323
344 HA THR 27 HA THR 27 -5.029 1.185 9.665
345 HB THR 27 HB THR 27 -5.832 -0.911 9.998
346 HG1 THR 27 HG1 THR 27 -4.330 -1.044 11.579
347 HG21 THR 27 HG21 THR 27 -3.670 -1.856 8.097
348 HG22 THR 27 HG22 THR 27 -5.380 -1.623 7.732
349 HG23 THR 27 HG23 THR 27 -4.878 -2.920 8.816
350 H LYS 28 H LYS 28 -3.761 1.691 11.475
351 HA LYS 28 HA LYS 28 -0.838 1.682 10.976
352 HB2 LYS 28 HB2 LYS 28 -2.607 3.515 12.215
353 HB3 LYS 28 HB3 LYS 28 -1.550 2.901 13.478
354 HG2 LYS 28 HG2 LYS 28 0.357 3.758 12.549
355 HG3 LYS 28 HG3 LYS 28 -0.234 3.585 10.902
356 HD2 LYS 28 HD2 LYS 28 0.048 5.990 11.942
357 HD3 LYS 28 HD3 LYS 28 -1.368 5.636 10.954
358 HE2 LYS 28 HE2 LYS 28 -2.711 5.221 12.955
359 HE3 LYS 28 HE3 LYS 28 -1.292 5.429 13.981
360 HZ1 LYS 28 HZ1 LYS 28 -1.202 7.682 13.545
361 HZ2 LYS 28 HZ2 LYS 28 -2.875 7.402 13.646
362 HZ3 LYS 28 HZ3 LYS 28 -2.128 7.563 12.129
363 HA PRO 29 HA PRO 29 -0.967 -0.447 15.176
364 HB2 PRO 29 HB2 PRO 29 -3.341 -0.682 16.504
365 HB3 PRO 29 HB3 PRO 29 -2.332 0.775 16.559
366 HG2 PRO 29 HG2 PRO 29 -4.907 0.353 15.139
367 HG3 PRO 29 HG3 PRO 29 -4.180 1.854 15.735
368 HD2 PRO 29 HD2 PRO 29 -4.156 0.887 13.053
369 HD3 PRO 29 HD3 PRO 29 -3.288 2.293 13.697
370 H THR 30 H THR 30 -0.666 -2.259 13.612
371 HA THR 30 HA THR 30 -1.225 -4.337 12.640
372 HB THR 30 HB THR 30 -2.617 -5.708 14.473
373 HG1 THR 30 HG1 THR 30 -1.360 -3.788 16.084
374 HG21 THR 30 HG21 THR 30 -0.566 -6.615 14.573
375 HG22 THR 30 HG22 THR 30 -0.088 -5.339 15.692
376 HG23 THR 30 HG23 THR 30 0.153 -5.127 13.958