Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
612892 | 5tlr RC | 30190 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 -11.705 6.278 0.476
2 H2 GLY 1 H2 GLY 1 -10.462 5.154 0.772
3 H3 GLY 1 H3 GLY 1 -10.629 5.833 -0.741
4 HA2 GLY 1 HA2 GLY 1 -10.011 7.965 0.039
5 HA3 GLY 1 HA3 GLY 1 -9.899 7.325 1.679
6 H CYS 2 H CYS 2 -7.665 8.437 0.872
7 HA CYS 2 HA CYS 2 -6.021 6.423 -0.427
8 HB2 CYS 2 HB3 CYS 2 -5.525 9.300 0.255
9 HB3 CYS 2 HB2 CYS 2 -4.352 8.238 -0.467
10 H LEU 3 H LEU 3 -3.683 6.562 0.431
11 HA LEU 3 HA LEU 3 -3.503 6.623 3.320
12 HB2 LEU 3 HB3 LEU 3 -2.242 4.645 1.407
13 HB3 LEU 3 HB2 LEU 3 -1.946 4.740 3.112
14 HG LEU 3 HG LEU 3 -4.558 3.924 1.817
15 HD11 LEU 3 HD11 LEU 3 -2.828 2.229 1.621
16 HD12 LEU 3 HD12 LEU 3 -4.085 1.726 2.749
17 HD13 LEU 3 HD13 LEU 3 -2.539 2.315 3.358
18 HD21 LEU 3 HD21 LEU 3 -4.973 5.086 3.922
19 HD22 LEU 3 HD22 LEU 3 -3.803 4.051 4.736
20 HD23 LEU 3 HD23 LEU 3 -5.295 3.359 4.094
21 H GLY 4 H GLY 4 -1.516 7.494 3.926
22 HA2 GLY 4 HA3 GLY 4 -0.171 9.196 2.040
23 HA3 GLY 4 HA2 GLY 4 0.304 8.936 3.714
24 H ILE 5 H ILE 5 2.235 9.269 2.015
25 HA ILE 5 HA ILE 5 2.945 7.001 0.583
26 HB ILE 5 HB ILE 5 3.699 9.135 -0.218
27 HG12 ILE 5 HG13 ILE 5 5.969 7.558 0.859
28 HG13 ILE 5 HG12 ILE 5 5.072 7.228 -0.629
29 HG21 ILE 5 HG21 ILE 5 5.221 9.418 2.377
30 HG22 ILE 5 HG22 ILE 5 3.834 10.381 1.862
31 HG23 ILE 5 HG23 ILE 5 5.360 10.500 0.993
32 HD11 ILE 5 HD11 ILE 5 6.776 9.668 -0.089
33 HD12 ILE 5 HD12 ILE 5 5.878 9.355 -1.573
34 HD13 ILE 5 HD13 ILE 5 7.233 8.320 -1.128
35 H TRP 6 H TRP 6 4.005 8.078 3.642
36 HA TRP 6 HA TRP 6 5.661 5.758 3.705
37 HB2 TRP 6 HB3 TRP 6 5.425 8.022 5.573
38 HB3 TRP 6 HB2 TRP 6 6.482 6.642 5.893
39 HD1 TRP 6 HD1 TRP 6 6.727 9.946 4.672
40 HE1 TRP 6 HE1 TRP 6 8.759 10.325 3.122
41 HE3 TRP 6 HE3 TRP 6 7.748 5.092 3.549
42 HZ2 TRP 6 HZ2 TRP 6 10.546 8.711 1.581
43 HZ3 TRP 6 HZ3 TRP 6 9.596 4.588 2.014
44 HH2 TRP 6 HH2 TRP 6 10.960 6.368 1.053
45 H LYS 7 H LYS 7 2.689 5.873 3.971
46 HA LYS 7 HA LYS 7 2.214 5.129 6.719
47 HB2 LYS 7 HB3 LYS 7 0.428 5.591 4.368
48 HB3 LYS 7 HB2 LYS 7 -0.144 4.952 5.893
49 HG2 LYS 7 HG3 LYS 7 1.189 7.624 5.478
50 HG3 LYS 7 HG2 LYS 7 -0.541 7.368 5.696
51 HD2 LYS 7 HD3 LYS 7 -0.081 6.430 7.940
52 HD3 LYS 7 HD2 LYS 7 1.632 6.776 7.706
53 HE2 LYS 7 HE3 LYS 7 -0.596 8.802 7.744
54 HE3 LYS 7 HE2 LYS 7 0.558 8.507 9.040
55 HZ1 LYS 7 HZ1 LYS 7 2.342 9.196 7.507
56 HZ2 LYS 7 HZ2 LYS 7 1.200 10.413 7.765
57 HZ3 LYS 7 HZ3 LYS 7 1.187 9.573 6.328
58 H ALA 8 H ALA 8 1.028 3.194 7.205
59 HA ALA 8 HA ALA 8 2.245 0.994 5.817
60 HB1 ALA 8 HB1 ALA 8 0.408 1.007 8.206
61 HB2 ALA 8 HB2 ALA 8 2.169 1.034 8.261
62 HB3 ALA 8 HB3 ALA 8 1.329 -0.372 7.606
63 H CYS 9 H CYS 9 1.342 0.222 4.106
64 HA CYS 9 HA CYS 9 -1.574 0.222 3.899
65 HB2 CYS 9 HB3 CYS 9 -1.101 -0.483 1.538
66 HB3 CYS 9 HB2 CYS 9 -0.665 1.157 1.926
67 H ASN 10 H ASN 10 -2.049 -1.845 2.300
68 HA ASN 10 HA ASN 10 -1.280 -4.078 3.989
69 HB2 ASN 10 HB3 ASN 10 -3.631 -3.522 2.235
70 HB3 ASN 10 HB2 ASN 10 -3.192 -5.164 2.654
71 HD21 ASN 10 HD21 ASN 10 -3.504 -5.847 4.810
72 HD22 ASN 10 HD22 ASN 10 -4.420 -4.925 5.933
73 HA PRO 11 HA PRO 11 1.568 -5.052 0.613
74 HB2 PRO 11 HB3 PRO 11 1.534 -7.526 2.280
75 HB3 PRO 11 HB2 PRO 11 2.913 -6.692 1.560
76 HG2 PRO 11 HG3 PRO 11 2.463 -6.382 4.117
77 HG3 PRO 11 HG2 PRO 11 2.820 -4.948 3.134
78 HD2 PRO 11 HD3 PRO 11 0.190 -5.909 4.182
79 HD3 PRO 11 HD2 PRO 11 0.830 -4.256 4.064
80 H SER 12 H SER 12 -0.926 -7.184 1.835
81 HA SER 12 HA SER 12 -1.013 -8.549 -0.745
82 HB2 SER 12 HB3 SER 12 -0.789 -9.844 1.390
83 HB3 SER 12 HB2 SER 12 -2.424 -9.326 1.800
84 HG SER 12 HG SER 12 -3.208 -10.461 0.080
85 H ASN 13 H ASN 13 -2.311 -5.809 0.217
86 HA ASN 13 HA ASN 13 -4.621 -6.167 -1.415
87 HB2 ASN 13 HB3 ASN 13 -5.589 -6.661 0.844
88 HB3 ASN 13 HB2 ASN 13 -4.969 -5.126 1.426
89 HD21 ASN 13 HD21 ASN 13 -7.325 -6.651 -0.625
90 HD22 ASN 13 HD22 ASN 13 -8.359 -5.288 -0.820
91 H ASP 14 H ASP 14 -3.124 -4.994 -2.617
92 HA ASP 14 HA ASP 14 -2.231 -2.513 -1.789
93 HB2 ASP 14 HB3 ASP 14 -0.962 -3.473 -3.511
94 HB3 ASP 14 HB2 ASP 14 -2.387 -3.800 -4.492
95 H GLN 15 H GLN 15 -3.234 -0.705 -1.668
96 HA GLN 15 HA GLN 15 -5.429 -0.061 -3.467
97 HB2 GLN 15 HB3 GLN 15 -6.481 -0.861 -1.381
98 HB3 GLN 15 HB2 GLN 15 -5.529 0.289 -0.455
99 HG2 GLN 15 HG3 GLN 15 -6.615 2.096 -1.820
100 HG3 GLN 15 HG2 GLN 15 -7.722 0.858 -2.413
101 HE21 GLN 15 HE21 GLN 15 -8.202 3.229 -0.841
102 HE22 GLN 15 HE22 GLN 15 -9.001 2.726 0.597
103 H CYS 16 H CYS 16 -4.077 1.406 -0.554
104 HA CYS 16 HA CYS 16 -3.238 3.458 -0.097
105 HB2 CYS 16 HB3 CYS 16 -1.346 2.218 -1.232
106 HB3 CYS 16 HB2 CYS 16 -1.761 3.101 -2.703
107 H CYS 17 H CYS 17 -2.322 5.392 -2.176
108 HA CYS 17 HA CYS 17 -4.968 6.531 -2.641
109 HB2 CYS 17 HB3 CYS 17 -2.931 7.860 -1.674
110 HB3 CYS 17 HB2 CYS 17 -2.436 7.814 -3.361
111 H LYS 18 H LYS 18 -5.698 5.634 -4.344
112 HA LYS 18 HA LYS 18 -4.152 5.040 -6.692
113 HB2 LYS 18 HB3 LYS 18 -7.160 5.177 -6.389
114 HB3 LYS 18 HB2 LYS 18 -6.281 4.429 -7.713
115 HG2 LYS 18 HG3 LYS 18 -5.361 2.768 -6.203
116 HG3 LYS 18 HG2 LYS 18 -6.182 3.535 -4.847
117 HD2 LYS 18 HD3 LYS 18 -8.339 3.069 -5.871
118 HD3 LYS 18 HD2 LYS 18 -7.519 2.350 -7.260
119 HE2 LYS 18 HE3 LYS 18 -6.568 0.634 -5.834
120 HE3 LYS 18 HE2 LYS 18 -7.320 1.370 -4.424
121 HZ1 LYS 18 HZ1 LYS 18 -8.537 -0.547 -5.298
122 HZ2 LYS 18 HZ2 LYS 18 -8.837 0.273 -6.736
123 HZ3 LYS 18 HZ3 LYS 18 -9.475 0.842 -5.278
124 H SER 19 H SER 19 -6.037 7.604 -5.489
125 HA SER 19 HA SER 19 -6.555 9.107 -7.777
126 HB2 SER 19 HB3 SER 19 -6.013 10.171 -5.014
127 HB3 SER 19 HB2 SER 19 -7.099 10.832 -6.243
128 HG SER 19 HG SER 19 -8.364 8.961 -6.038
129 H SER 20 H SER 20 -3.694 8.979 -5.628
130 HA SER 20 HA SER 20 -2.450 11.081 -7.246
131 HB2 SER 20 HB3 SER 20 -1.660 10.029 -4.544
132 HB3 SER 20 HB2 SER 20 -0.969 11.425 -5.384
133 HG SER 20 HG SER 20 -3.422 12.030 -5.375
134 H LYS 21 H LYS 21 -2.761 7.970 -7.289
135 HA LYS 21 HA LYS 21 -1.818 6.336 -8.318
136 HB2 LYS 21 HB3 LYS 21 0.330 8.262 -9.083
137 HB3 LYS 21 HB2 LYS 21 0.069 6.684 -9.813
138 HG2 LYS 21 HG3 LYS 21 -1.815 9.019 -9.880
139 HG3 LYS 21 HG2 LYS 21 -0.810 8.465 -11.226
140 HD2 LYS 21 HD3 LYS 21 -2.030 6.257 -11.058
141 HD3 LYS 21 HD2 LYS 21 -3.133 7.043 -9.930
142 HE2 LYS 21 HE3 LYS 21 -4.084 7.078 -12.163
143 HE3 LYS 21 HE2 LYS 21 -3.683 8.718 -11.648
144 HZ1 LYS 21 HZ1 LYS 21 -1.638 8.571 -12.957
145 HZ2 LYS 21 HZ2 LYS 21 -2.968 8.308 -13.944
146 HZ3 LYS 21 HZ3 LYS 21 -2.027 7.018 -13.430
147 H LEU 22 H LEU 22 -1.166 6.500 -5.529
148 HA LEU 22 HA LEU 22 1.534 5.603 -5.506
149 HB2 LEU 22 HB3 LEU 22 -0.392 6.421 -3.419
150 HB3 LEU 22 HB2 LEU 22 1.014 5.487 -3.020
151 HG LEU 22 HG LEU 22 2.310 7.395 -4.181
152 HD11 LEU 22 HD11 LEU 22 -0.216 8.857 -3.537
153 HD12 LEU 22 HD12 LEU 22 0.460 8.566 -5.140
154 HD13 LEU 22 HD13 LEU 22 1.314 9.606 -3.997
155 HD21 LEU 22 HD21 LEU 22 2.573 6.956 -1.853
156 HD22 LEU 22 HD22 LEU 22 1.049 7.758 -1.480
157 HD23 LEU 22 HD23 LEU 22 2.419 8.697 -2.078
158 H VAL 23 H VAL 23 1.903 3.750 -5.172
159 HA VAL 23 HA VAL 23 -0.241 1.762 -4.854
160 HB VAL 23 HB VAL 23 0.678 1.618 -7.030
161 HG11 VAL 23 HG11 VAL 23 3.061 0.994 -7.479
162 HG12 VAL 23 HG12 VAL 23 3.391 1.194 -5.757
163 HG13 VAL 23 HG13 VAL 23 2.891 2.580 -6.724
164 HG21 VAL 23 HG21 VAL 23 0.028 -0.502 -6.128
165 HG22 VAL 23 HG22 VAL 23 1.607 -0.718 -5.378
166 HG23 VAL 23 HG23 VAL 23 1.457 -0.744 -7.135
167 H CYS 24 H CYS 24 0.192 0.011 -3.663
168 HA CYS 24 HA CYS 24 1.811 0.595 -1.335
169 HB2 CYS 24 HB3 CYS 24 -0.427 -0.346 -1.051
170 HB3 CYS 24 HB2 CYS 24 0.051 -1.776 -1.960
171 H SER 25 H SER 25 3.691 -0.332 -0.800
172 HA SER 25 HA SER 25 4.802 -2.145 -2.667
173 HB2 SER 25 HB3 SER 25 6.071 -0.135 -1.807
174 HB3 SER 25 HB2 SER 25 6.111 -0.938 -0.236
175 HG SER 25 HG SER 25 7.866 -1.713 -1.011
176 H ARG 26 H ARG 26 5.426 -4.209 -1.973
177 HA ARG 26 HA ARG 26 3.580 -5.182 0.051
178 HB2 ARG 26 HB3 ARG 26 3.563 -6.071 -2.253
179 HB3 ARG 26 HB2 ARG 26 5.212 -6.617 -1.970
180 HG2 ARG 26 HG3 ARG 26 4.525 -8.251 -0.422
181 HG3 ARG 26 HG2 ARG 26 2.897 -7.568 -0.315
182 HD2 ARG 26 HD3 ARG 26 4.102 -8.806 -2.781
183 HD3 ARG 26 HD2 ARG 26 2.960 -9.593 -1.696
184 HE ARG 26 HE ARG 26 1.400 -7.759 -2.255
185 HH11 ARG 26 HH11 ARG 26 3.994 -8.476 -4.566
186 HH12 ARG 26 HH12 ARG 26 3.079 -8.067 -5.943
187 HH21 ARG 26 HH21 ARG 26 0.125 -7.181 -4.206
188 HH22 ARG 26 HH22 ARG 26 0.846 -7.305 -5.727
189 H LYS 27 H LYS 27 6.938 -5.509 -0.917
190 HA LYS 27 HA LYS 27 7.660 -7.026 1.369
191 HB2 LYS 27 HB3 LYS 27 9.970 -6.651 0.663
192 HB3 LYS 27 HB2 LYS 27 8.964 -7.122 -0.698
193 HG2 LYS 27 HG3 LYS 27 8.864 -4.814 -1.460
194 HG3 LYS 27 HG2 LYS 27 9.786 -4.294 -0.060
195 HD2 LYS 27 HD3 LYS 27 11.243 -4.418 -1.965
196 HD3 LYS 27 HD2 LYS 27 11.667 -5.697 -0.831
197 HE2 LYS 27 HE3 LYS 27 10.458 -7.320 -2.166
198 HE3 LYS 27 HE2 LYS 27 9.947 -6.054 -3.283
199 HZ1 LYS 27 HZ1 LYS 27 12.733 -6.901 -2.765
200 HZ2 LYS 27 HZ2 LYS 27 12.255 -5.684 -3.845
201 HZ3 LYS 27 HZ3 LYS 27 11.808 -7.291 -4.125
202 H THR 28 H THR 28 7.362 -3.661 0.686
203 HA THR 28 HA THR 28 8.746 -3.162 3.207
204 HB THR 28 HB THR 28 9.051 -0.742 2.286
205 HG1 THR 28 HG1 THR 28 9.357 -0.874 -0.002
206 HG21 THR 28 HG21 THR 28 11.195 -1.458 1.289
207 HG22 THR 28 HG22 THR 28 10.640 -3.133 1.313
208 HG23 THR 28 HG23 THR 28 10.875 -2.258 2.823
209 H ARG 29 H ARG 29 5.626 -2.981 2.054
210 HA ARG 29 HA ARG 29 3.724 -2.420 3.015
211 HB2 ARG 29 HB3 ARG 29 4.949 -3.424 4.966
212 HB3 ARG 29 HB2 ARG 29 5.326 -1.795 5.487
213 HG2 ARG 29 HG3 ARG 29 2.970 -1.325 5.785
214 HG3 ARG 29 HG2 ARG 29 2.562 -2.938 5.188
215 HD2 ARG 29 HD3 ARG 29 2.513 -3.033 7.559
216 HD3 ARG 29 HD2 ARG 29 3.961 -3.870 6.971
217 HE ARG 29 HE ARG 29 4.258 -1.092 7.794
218 HH11 ARG 29 HH11 ARG 29 4.952 -4.499 8.494
219 HH12 ARG 29 HH12 ARG 29 5.899 -4.163 9.862
220 HH21 ARG 29 HH21 ARG 29 5.577 -0.644 9.655
221 HH22 ARG 29 HH22 ARG 29 6.264 -1.924 10.544
222 H TRP 30 H TRP 30 5.685 -0.120 2.012
223 HA TRP 30 HA TRP 30 3.939 2.087 2.991
224 HB2 TRP 30 HB3 TRP 30 5.667 3.663 2.332
225 HB3 TRP 30 HB2 TRP 30 6.231 2.631 3.615
226 HD1 TRP 30 HD1 TRP 30 6.482 2.693 -0.291
227 HE1 TRP 30 HE1 TRP 30 8.899 2.113 -0.966
228 HE3 TRP 30 HE3 TRP 30 8.467 1.925 4.353
229 HZ2 TRP 30 HZ2 TRP 30 11.327 1.449 0.301
230 HZ3 TRP 30 HZ3 TRP 30 10.846 1.328 4.530
231 HH2 TRP 30 HH2 TRP 30 12.242 1.101 2.544
232 H CYS 31 H CYS 31 3.794 3.825 1.499
233 HA CYS 31 HA CYS 31 2.843 2.662 -0.905
234 HB2 CYS 31 HB3 CYS 31 2.351 5.120 0.647
235 HB3 CYS 31 HB2 CYS 31 1.929 5.102 -1.064
236 H LYS 32 H LYS 32 3.668 3.292 -2.899
237 HA LYS 32 HA LYS 32 5.696 5.365 -2.885
238 HB2 LYS 32 HB3 LYS 32 7.174 3.955 -4.312
239 HB3 LYS 32 HB2 LYS 32 7.001 3.389 -2.659
240 HG2 LYS 32 HG3 LYS 32 5.301 1.792 -3.467
241 HG3 LYS 32 HG2 LYS 32 5.712 2.249 -5.124
242 HD2 LYS 32 HD3 LYS 32 8.057 1.607 -4.694
243 HD3 LYS 32 HD2 LYS 32 7.604 1.108 -3.065
244 HE2 LYS 32 HE3 LYS 32 5.984 -0.487 -4.113
245 HE3 LYS 32 HE2 LYS 32 6.705 -0.094 -5.672
246 HZ1 LYS 32 HZ1 LYS 32 8.861 -0.843 -4.754
247 HZ2 LYS 32 HZ2 LYS 32 7.719 -2.077 -4.765
248 HZ3 LYS 32 HZ3 LYS 32 8.083 -1.297 -3.336
249 H TRP 33 H TRP 33 5.860 6.546 -4.654
250 HA TRP 33 HA TRP 33 3.898 6.116 -6.699
251 HB2 TRP 33 HB3 TRP 33 4.049 8.567 -7.015
252 HB3 TRP 33 HB2 TRP 33 3.515 8.112 -5.401
253 HD1 TRP 33 HD1 TRP 33 6.275 7.917 -3.839
254 HE1 TRP 33 HE1 TRP 33 7.711 10.002 -3.503
255 HE3 TRP 33 HE3 TRP 33 4.395 10.900 -7.550
256 HZ2 TRP 33 HZ2 TRP 33 8.009 12.535 -4.549
257 HZ3 TRP 33 HZ3 TRP 33 5.315 13.176 -7.779
258 HH2 TRP 33 HH2 TRP 33 7.086 13.969 -6.302
259 H GLN 34 H GLN 34 6.799 7.979 -6.690
260 HA GLN 34 HA GLN 34 7.587 6.641 -9.187
261 HB2 GLN 34 HB3 GLN 34 9.010 8.557 -9.651
262 HB3 GLN 34 HB2 GLN 34 7.380 9.087 -9.243
263 HG2 GLN 34 HG3 GLN 34 8.061 9.810 -7.097
264 HG3 GLN 34 HG2 GLN 34 9.654 9.079 -7.294
265 HE21 GLN 34 HE21 GLN 34 11.135 10.062 -8.619
266 HE22 GLN 34 HE22 GLN 34 10.959 11.689 -9.166
267 H ILE 35 H ILE 35 8.441 6.903 -5.915
268 HA ILE 35 HA ILE 35 11.213 6.350 -6.287
269 HB ILE 35 HB ILE 35 11.294 6.072 -3.778
270 HG12 ILE 35 HG12 ILE 35 8.431 7.076 -3.904
271 HG13 ILE 35 HG11 ILE 35 8.884 5.428 -3.479
272 HG21 ILE 35 HG21 ILE 35 10.184 8.646 -4.878
273 HG22 ILE 35 HG22 ILE 35 11.878 8.157 -4.843
274 HG23 ILE 35 HG23 ILE 35 11.019 8.473 -3.335
275 HD11 ILE 35 HD11 ILE 35 8.387 6.683 -1.495
276 HD12 ILE 35 HD12 ILE 35 9.533 7.941 -1.956
277 HD13 ILE 35 HD13 ILE 35 10.116 6.332 -1.530
278 HN1 NH2 36 HN1 NH2 36 11.412 4.535 -7.360
279 HN2 NH2 36 HN2 NH2 36 11.001 2.965 -6.755
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 -9.944 9.693 -1.593
2 H2 GLY 1 H2 GLY 1 -11.128 9.851 -0.384
3 H3 GLY 1 H3 GLY 1 -10.594 8.319 -0.877
4 HA2 GLY 1 HA2 GLY 1 -8.895 10.314 0.434
5 HA3 GLY 1 HA3 GLY 1 -9.644 8.932 1.234
6 H CYS 2 H CYS 2 -6.956 9.193 1.288
7 HA CYS 2 HA CYS 2 -6.094 6.969 -0.399
8 HB2 CYS 2 HB3 CYS 2 -4.536 9.524 0.034
9 HB3 CYS 2 HB2 CYS 2 -3.957 8.078 -0.744
10 H LEU 3 H LEU 3 -3.747 6.360 0.454
11 HA LEU 3 HA LEU 3 -3.750 6.540 3.337
12 HB2 LEU 3 HB3 LEU 3 -2.217 4.713 1.467
13 HB3 LEU 3 HB2 LEU 3 -2.172 4.663 3.209
14 HG LEU 3 HG LEU 3 -4.513 3.947 1.452
15 HD11 LEU 3 HD11 LEU 3 -4.187 1.704 2.368
16 HD12 LEU 3 HD12 LEU 3 -2.766 2.275 3.240
17 HD13 LEU 3 HD13 LEU 3 -2.775 2.269 1.478
18 HD21 LEU 3 HD21 LEU 3 -4.321 3.953 4.469
19 HD22 LEU 3 HD22 LEU 3 -5.644 3.263 3.533
20 HD23 LEU 3 HD23 LEU 3 -5.344 4.999 3.482
21 H GLY 4 H GLY 4 -1.415 6.614 4.042
22 HA2 GLY 4 HA3 GLY 4 -0.205 8.925 2.716
23 HA3 GLY 4 HA2 GLY 4 0.288 8.279 4.282
24 H ILE 5 H ILE 5 1.905 9.049 2.075
25 HA ILE 5 HA ILE 5 2.690 6.786 0.687
26 HB ILE 5 HB ILE 5 3.184 8.865 -0.351
27 HG12 ILE 5 HG13 ILE 5 5.670 7.689 0.751
28 HG13 ILE 5 HG12 ILE 5 4.802 7.147 -0.686
29 HG21 ILE 5 HG21 ILE 5 4.672 10.567 0.597
30 HG22 ILE 5 HG22 ILE 5 4.725 9.664 2.114
31 HG23 ILE 5 HG23 ILE 5 3.202 10.346 1.537
32 HD11 ILE 5 HD11 ILE 5 6.817 8.421 -1.316
33 HD12 ILE 5 HD12 ILE 5 6.252 9.788 -0.358
34 HD13 ILE 5 HD13 ILE 5 5.365 9.298 -1.798
35 H TRP 6 H TRP 6 3.761 8.111 3.617
36 HA TRP 6 HA TRP 6 5.733 6.044 3.722
37 HB2 TRP 6 HB3 TRP 6 5.267 8.403 5.417
38 HB3 TRP 6 HB2 TRP 6 6.555 7.231 5.745
39 HD1 TRP 6 HD1 TRP 6 6.091 10.414 4.114
40 HE1 TRP 6 HE1 TRP 6 7.928 10.896 2.337
41 HE3 TRP 6 HE3 TRP 6 8.034 5.721 3.657
42 HZ2 TRP 6 HZ2 TRP 6 9.900 9.460 0.938
43 HZ3 TRP 6 HZ3 TRP 6 9.873 5.349 2.081
44 HH2 TRP 6 HH2 TRP 6 10.788 7.188 0.749
45 H LYS 7 H LYS 7 2.779 5.755 4.108
46 HA LYS 7 HA LYS 7 2.728 4.941 6.889
47 HB2 LYS 7 HB3 LYS 7 0.550 5.683 4.987
48 HB3 LYS 7 HB2 LYS 7 0.279 4.948 6.554
49 HG2 LYS 7 HG3 LYS 7 1.480 6.884 7.588
50 HG3 LYS 7 HG2 LYS 7 1.571 7.618 5.989
51 HD2 LYS 7 HD3 LYS 7 -0.933 7.525 5.896
52 HD3 LYS 7 HD2 LYS 7 -0.912 6.971 7.569
53 HE2 LYS 7 HE3 LYS 7 0.185 9.584 6.547
54 HE3 LYS 7 HE2 LYS 7 -1.308 9.375 7.452
55 HZ1 LYS 7 HZ1 LYS 7 0.506 10.127 8.868
56 HZ2 LYS 7 HZ2 LYS 7 1.414 8.764 8.486
57 HZ3 LYS 7 HZ3 LYS 7 -0.011 8.604 9.347
58 H ALA 8 H ALA 8 1.589 3.008 7.389
59 HA ALA 8 HA ALA 8 2.481 0.884 5.721
60 HB1 ALA 8 HB1 ALA 8 0.904 0.766 8.282
61 HB2 ALA 8 HB2 ALA 8 2.663 0.791 8.163
62 HB3 ALA 8 HB3 ALA 8 1.754 -0.571 7.507
63 H CYS 9 H CYS 9 1.440 -0.076 4.249
64 HA CYS 9 HA CYS 9 -1.494 -0.027 4.190
65 HB2 CYS 9 HB3 CYS 9 -1.105 -0.576 1.759
66 HB3 CYS 9 HB2 CYS 9 -0.793 1.069 2.235
67 H ASN 10 H ASN 10 -2.008 -2.028 2.441
68 HA ASN 10 HA ASN 10 -0.842 -4.336 3.772
69 HB2 ASN 10 HB3 ASN 10 -3.601 -3.791 2.778
70 HB3 ASN 10 HB2 ASN 10 -2.995 -5.421 2.952
71 HD21 ASN 10 HD21 ASN 10 -5.224 -4.415 4.291
72 HD22 ASN 10 HD22 ASN 10 -4.885 -4.335 5.976
73 HA PRO 11 HA PRO 11 0.721 -5.132 -0.435
74 HB2 PRO 11 HB3 PRO 11 1.175 -7.700 1.026
75 HB3 PRO 11 HB2 PRO 11 2.256 -6.833 -0.065
76 HG2 PRO 11 HG3 PRO 11 2.664 -6.708 2.545
77 HG3 PRO 11 HG2 PRO 11 2.817 -5.239 1.563
78 HD2 PRO 11 HD3 PRO 11 0.615 -6.057 3.405
79 HD3 PRO 11 HD2 PRO 11 1.272 -4.448 3.065
80 H SER 12 H SER 12 -1.250 -7.277 1.539
81 HA SER 12 HA SER 12 -2.229 -8.889 -0.599
82 HB2 SER 12 HB3 SER 12 -2.093 -9.653 1.780
83 HB3 SER 12 HB2 SER 12 -3.409 -8.538 2.161
84 HG SER 12 HG SER 12 -3.883 -10.281 0.061
85 H ASN 13 H ASN 13 -3.114 -5.760 0.495
86 HA ASN 13 HA ASN 13 -5.434 -5.832 -1.186
87 HB2 ASN 13 HB3 ASN 13 -6.409 -6.127 1.054
88 HB3 ASN 13 HB2 ASN 13 -5.481 -4.764 1.661
89 HD21 ASN 13 HD21 ASN 13 -8.183 -5.710 -0.347
90 HD22 ASN 13 HD22 ASN 13 -8.943 -4.161 -0.364
91 H ASP 14 H ASP 14 -3.908 -4.962 -2.472
92 HA ASP 14 HA ASP 14 -2.547 -2.614 -1.656
93 HB2 ASP 14 HB3 ASP 14 -1.292 -4.185 -2.875
94 HB3 ASP 14 HB2 ASP 14 -2.518 -4.260 -4.140
95 H GLN 15 H GLN 15 -3.593 -0.818 -1.807
96 HA GLN 15 HA GLN 15 -4.951 -0.135 -4.270
97 HB2 GLN 15 HB3 GLN 15 -6.711 -0.835 -2.742
98 HB3 GLN 15 HB2 GLN 15 -6.110 0.279 -1.521
99 HG2 GLN 15 HG3 GLN 15 -8.024 1.181 -2.596
100 HG3 GLN 15 HG2 GLN 15 -6.597 2.148 -2.987
101 HE21 GLN 15 HE21 GLN 15 -5.780 2.099 -5.086
102 HE22 GLN 15 HE22 GLN 15 -6.665 1.470 -6.426
103 H CYS 16 H CYS 16 -4.330 1.261 -1.054
104 HA CYS 16 HA CYS 16 -3.503 3.272 -0.379
105 HB2 CYS 16 HB3 CYS 16 -1.480 2.061 -1.242
106 HB3 CYS 16 HB2 CYS 16 -1.700 2.891 -2.779
107 H CYS 17 H CYS 17 -2.325 5.262 -2.231
108 HA CYS 17 HA CYS 17 -4.808 6.629 -2.698
109 HB2 CYS 17 HB3 CYS 17 -2.540 7.690 -1.957
110 HB3 CYS 17 HB2 CYS 17 -2.182 7.490 -3.665
111 H LYS 18 H LYS 18 -5.841 5.861 -4.310
112 HA LYS 18 HA LYS 18 -4.591 5.145 -6.829
113 HB2 LYS 18 HB3 LYS 18 -6.990 4.763 -7.612
114 HB3 LYS 18 HB2 LYS 18 -6.469 3.762 -6.266
115 HG2 LYS 18 HG3 LYS 18 -7.632 5.224 -4.718
116 HG3 LYS 18 HG2 LYS 18 -8.165 6.249 -6.056
117 HD2 LYS 18 HD3 LYS 18 -9.452 4.380 -6.949
118 HD3 LYS 18 HD2 LYS 18 -8.850 3.331 -5.660
119 HE2 LYS 18 HE3 LYS 18 -9.914 4.773 -3.986
120 HE3 LYS 18 HE2 LYS 18 -10.498 5.828 -5.268
121 HZ1 LYS 18 HZ1 LYS 18 -11.299 2.979 -4.897
122 HZ2 LYS 18 HZ2 LYS 18 -11.828 4.031 -6.111
123 HZ3 LYS 18 HZ3 LYS 18 -12.213 4.346 -4.525
124 H SER 19 H SER 19 -5.954 7.843 -5.343
125 HA SER 19 HA SER 19 -6.666 9.369 -7.615
126 HB2 SER 19 HB3 SER 19 -5.900 10.329 -4.858
127 HB3 SER 19 HB2 SER 19 -6.938 11.149 -6.027
128 HG SER 19 HG SER 19 -8.310 9.245 -5.872
129 H SER 20 H SER 20 -3.653 8.929 -5.773
130 HA SER 20 HA SER 20 -2.385 10.934 -7.506
131 HB2 SER 20 HB3 SER 20 -2.422 11.391 -5.035
132 HB3 SER 20 HB2 SER 20 -1.455 9.912 -4.872
133 HG SER 20 HG SER 20 0.070 10.920 -6.309
134 H LYS 21 H LYS 21 -2.853 7.798 -7.301
135 HA LYS 21 HA LYS 21 -1.987 6.026 -8.255
136 HB2 LYS 21 HB3 LYS 21 0.060 7.898 -9.337
137 HB3 LYS 21 HB2 LYS 21 -0.281 6.289 -9.969
138 HG2 LYS 21 HG3 LYS 21 -2.271 8.515 -9.809
139 HG3 LYS 21 HG2 LYS 21 -1.327 8.208 -11.272
140 HD2 LYS 21 HD3 LYS 21 -3.233 6.237 -9.957
141 HD3 LYS 21 HD2 LYS 21 -3.627 7.224 -11.359
142 HE2 LYS 21 HE3 LYS 21 -1.454 5.120 -11.227
143 HE3 LYS 21 HE2 LYS 21 -3.014 4.956 -12.022
144 HZ1 LYS 21 HZ1 LYS 21 -2.391 6.800 -13.486
145 HZ2 LYS 21 HZ2 LYS 21 -1.349 5.492 -13.635
146 HZ3 LYS 21 HZ3 LYS 21 -0.856 6.854 -12.783
147 H LEU 22 H LEU 22 -1.357 5.915 -5.744
148 HA LEU 22 HA LEU 22 1.440 5.337 -5.642
149 HB2 LEU 22 HB3 LEU 22 -0.523 6.224 -3.650
150 HB3 LEU 22 HB2 LEU 22 0.870 5.305 -3.144
151 HG LEU 22 HG LEU 22 2.174 7.175 -4.411
152 HD11 LEU 22 HD11 LEU 22 0.281 8.249 -5.401
153 HD12 LEU 22 HD12 LEU 22 1.182 9.337 -4.346
154 HD13 LEU 22 HD13 LEU 22 -0.341 8.634 -3.791
155 HD21 LEU 22 HD21 LEU 22 0.888 7.574 -1.724
156 HD22 LEU 22 HD22 LEU 22 2.208 8.551 -2.345
157 HD23 LEU 22 HD23 LEU 22 2.453 6.825 -2.066
158 H VAL 23 H VAL 23 1.908 3.495 -5.157
159 HA VAL 23 HA VAL 23 -0.179 1.430 -4.846
160 HB VAL 23 HB VAL 23 1.415 -0.213 -5.728
161 HG11 VAL 23 HG11 VAL 23 -0.049 0.874 -7.320
162 HG12 VAL 23 HG12 VAL 23 1.517 0.557 -8.064
163 HG13 VAL 23 HG13 VAL 23 1.110 2.186 -7.524
164 HG21 VAL 23 HG21 VAL 23 3.290 2.126 -6.102
165 HG22 VAL 23 HG22 VAL 23 3.559 0.503 -6.732
166 HG23 VAL 23 HG23 VAL 23 3.512 0.776 -4.990
167 H CYS 24 H CYS 24 0.568 -0.531 -3.536
168 HA CYS 24 HA CYS 24 1.865 0.500 -1.157
169 HB2 CYS 24 HB3 CYS 24 -0.327 -0.574 -0.892
170 HB3 CYS 24 HB2 CYS 24 0.290 -2.030 -1.668
171 H SER 25 H SER 25 3.802 -0.287 -0.527
172 HA SER 25 HA SER 25 5.122 -1.928 -2.394
173 HB2 SER 25 HB3 SER 25 6.205 0.073 -1.387
174 HB3 SER 25 HB2 SER 25 6.187 -0.753 0.168
175 HG SER 25 HG SER 25 8.083 -1.280 -0.530
176 H ARG 26 H ARG 26 5.929 -3.922 -1.905
177 HA ARG 26 HA ARG 26 4.283 -5.439 -0.047
178 HB2 ARG 26 HB3 ARG 26 4.483 -6.120 -2.383
179 HB3 ARG 26 HB2 ARG 26 6.230 -6.194 -2.170
180 HG2 ARG 26 HG3 ARG 26 6.013 -8.072 -0.668
181 HG3 ARG 26 HG2 ARG 26 4.252 -7.975 -0.753
182 HD2 ARG 26 HD3 ARG 26 5.205 -9.746 -2.209
183 HD3 ARG 26 HD2 ARG 26 4.279 -8.543 -3.096
184 HE ARG 26 HE ARG 26 6.498 -7.506 -3.621
185 HH11 ARG 26 HH11 ARG 26 6.241 -11.010 -3.052
186 HH12 ARG 26 HH12 ARG 26 7.582 -11.393 -4.014
187 HH21 ARG 26 HH21 ARG 26 8.328 -8.064 -4.964
188 HH22 ARG 26 HH22 ARG 26 8.799 -9.691 -5.128
189 H LYS 27 H LYS 27 7.640 -4.898 -0.920
190 HA LYS 27 HA LYS 27 8.657 -6.474 1.232
191 HB2 LYS 27 HB3 LYS 27 10.006 -4.569 -0.674
192 HB3 LYS 27 HB2 LYS 27 10.850 -5.585 0.482
193 HG2 LYS 27 HG3 LYS 27 9.118 -6.587 -1.776
194 HG3 LYS 27 HG2 LYS 27 10.884 -6.527 -1.787
195 HD2 LYS 27 HD3 LYS 27 10.903 -8.008 0.188
196 HD3 LYS 27 HD2 LYS 27 9.148 -8.117 0.095
197 HE2 LYS 27 HE3 LYS 27 9.301 -9.134 -2.101
198 HE3 LYS 27 HE2 LYS 27 11.056 -8.982 -2.070
199 HZ1 LYS 27 HZ1 LYS 27 10.344 -11.206 -1.460
200 HZ2 LYS 27 HZ2 LYS 27 9.419 -10.588 -0.198
201 HZ3 LYS 27 HZ3 LYS 27 11.102 -10.455 -0.150
202 H THR 28 H THR 28 7.764 -3.200 0.795
203 HA THR 28 HA THR 28 9.049 -2.710 3.379
204 HB THR 28 HB THR 28 9.159 -0.193 2.646
205 HG1 THR 28 HG1 THR 28 9.897 -0.601 0.265
206 HG21 THR 28 HG21 THR 28 11.421 -0.606 1.816
207 HG22 THR 28 HG22 THR 28 11.041 -2.318 1.621
208 HG23 THR 28 HG23 THR 28 11.071 -1.596 3.231
209 H ARG 29 H ARG 29 6.026 -2.893 2.163
210 HA ARG 29 HA ARG 29 4.033 -2.517 2.938
211 HB2 ARG 29 HB3 ARG 29 5.118 -3.630 4.828
212 HB3 ARG 29 HB2 ARG 29 5.480 -2.069 5.525
213 HG2 ARG 29 HG3 ARG 29 3.195 -1.650 5.958
214 HG3 ARG 29 HG2 ARG 29 2.698 -3.045 4.991
215 HD2 ARG 29 HD3 ARG 29 4.510 -3.219 7.307
216 HD3 ARG 29 HD2 ARG 29 2.743 -3.406 7.502
217 HE ARG 29 HE ARG 29 4.358 -5.107 5.705
218 HH11 ARG 29 HH11 ARG 29 2.093 -4.881 8.432
219 HH12 ARG 29 HH12 ARG 29 1.829 -6.555 8.508
220 HH21 ARG 29 HH21 ARG 29 3.977 -7.414 5.851
221 HH22 ARG 29 HH22 ARG 29 2.905 -8.013 7.014
222 H TRP 30 H TRP 30 5.892 0.088 2.461
223 HA TRP 30 HA TRP 30 3.690 1.884 3.247
224 HB2 TRP 30 HB3 TRP 30 5.205 3.781 2.944
225 HB3 TRP 30 HB2 TRP 30 5.746 2.738 4.227
226 HD1 TRP 30 HD1 TRP 30 6.561 3.476 0.499
227 HE1 TRP 30 HE1 TRP 30 9.120 3.252 0.166
228 HE3 TRP 30 HE3 TRP 30 7.842 1.901 5.177
229 HZ2 TRP 30 HZ2 TRP 30 11.367 2.497 1.705
230 HZ3 TRP 30 HZ3 TRP 30 10.205 1.459 5.676
231 HH2 TRP 30 HH2 TRP 30 11.933 1.754 3.964
232 H CYS 31 H CYS 31 3.670 3.802 1.724
233 HA CYS 31 HA CYS 31 2.903 2.524 -0.688
234 HB2 CYS 31 HB3 CYS 31 2.227 4.961 0.776
235 HB3 CYS 31 HB2 CYS 31 1.937 4.989 -0.974
236 H LYS 32 H LYS 32 3.631 3.127 -2.695
237 HA LYS 32 HA LYS 32 6.147 4.660 -2.737
238 HB2 LYS 32 HB3 LYS 32 5.015 2.728 -4.754
239 HB3 LYS 32 HB2 LYS 32 6.505 3.638 -4.947
240 HG2 LYS 32 HG3 LYS 32 5.982 1.616 -2.795
241 HG3 LYS 32 HG2 LYS 32 6.871 1.352 -4.310
242 HD2 LYS 32 HD3 LYS 32 8.449 3.139 -3.629
243 HD3 LYS 32 HD2 LYS 32 7.623 3.227 -2.072
244 HE2 LYS 32 HE3 LYS 32 9.631 1.843 -1.928
245 HE3 LYS 32 HE2 LYS 32 8.180 0.894 -1.627
246 HZ1 LYS 32 HZ1 LYS 32 9.631 1.011 -4.215
247 HZ2 LYS 32 HZ2 LYS 32 8.303 0.043 -3.896
248 HZ3 LYS 32 HZ3 LYS 32 9.766 -0.239 -3.106
249 H TRP 33 H TRP 33 6.442 6.302 -4.138
250 HA TRP 33 HA TRP 33 4.044 7.754 -4.763
251 HB2 TRP 33 HB3 TRP 33 6.202 8.775 -3.841
252 HB3 TRP 33 HB2 TRP 33 6.879 8.564 -5.450
253 HD1 TRP 33 HD1 TRP 33 6.487 10.510 -7.096
254 HE1 TRP 33 HE1 TRP 33 5.014 12.633 -7.116
255 HE3 TRP 33 HE3 TRP 33 3.744 9.628 -2.905
256 HZ2 TRP 33 HZ2 TRP 33 2.956 13.759 -5.559
257 HZ3 TRP 33 HZ3 TRP 33 2.039 11.277 -2.229
258 HH2 TRP 33 HH2 TRP 33 1.662 13.295 -3.534
259 H GLN 34 H GLN 34 3.730 8.734 -6.946
260 HA GLN 34 HA GLN 34 3.674 6.647 -8.862
261 HB2 GLN 34 HB3 GLN 34 2.566 8.261 -10.332
262 HB3 GLN 34 HB2 GLN 34 1.881 8.243 -8.713
263 HG2 GLN 34 HG3 GLN 34 3.083 10.289 -8.165
264 HG3 GLN 34 HG2 GLN 34 3.787 10.314 -9.778
265 HE21 GLN 34 HE21 GLN 34 1.261 9.399 -11.041
266 HE22 GLN 34 HE22 GLN 34 0.214 10.751 -11.001
267 H ILE 35 H ILE 35 5.885 9.193 -8.274
268 HA ILE 35 HA ILE 35 7.061 8.938 -10.926
269 HB ILE 35 HB ILE 35 7.954 10.752 -8.653
270 HG12 ILE 35 HG12 ILE 35 5.665 11.351 -9.292
271 HG13 ILE 35 HG11 ILE 35 6.792 12.585 -9.829
272 HG21 ILE 35 HG21 ILE 35 9.688 10.353 -10.306
273 HG22 ILE 35 HG22 ILE 35 9.113 12.016 -10.411
274 HG23 ILE 35 HG23 ILE 35 8.589 10.826 -11.602
275 HD11 ILE 35 HD11 ILE 35 5.549 10.453 -11.559
276 HD12 ILE 35 HD12 ILE 35 6.680 11.692 -12.105
277 HD13 ILE 35 HD13 ILE 35 5.088 12.153 -11.500
278 HN1 NH2 36 HN1 NH2 36 8.008 6.973 -10.906
279 HN2 NH2 36 HN2 NH2 36 9.256 6.489 -9.810
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 -10.269 5.978 -2.071
2 H2 GLY 1 H2 GLY 1 -9.925 7.616 -2.220
3 H3 GLY 1 H3 GLY 1 -11.372 7.120 -1.485
4 HA2 GLY 1 HA2 GLY 1 -9.746 7.821 0.162
5 HA3 GLY 1 HA3 GLY 1 -10.124 6.102 0.297
6 H CYS 2 H CYS 2 -7.662 8.031 0.670
7 HA CYS 2 HA CYS 2 -5.801 6.332 -0.807
8 HB2 CYS 2 HB3 CYS 2 -5.411 9.153 0.183
9 HB3 CYS 2 HB2 CYS 2 -4.201 8.179 -0.598
10 H LEU 3 H LEU 3 -3.598 6.381 0.295
11 HA LEU 3 HA LEU 3 -3.787 6.180 3.166
12 HB2 LEU 3 HB3 LEU 3 -2.254 4.421 1.241
13 HB3 LEU 3 HB2 LEU 3 -2.179 4.338 2.981
14 HG LEU 3 HG LEU 3 -4.577 3.645 1.269
15 HD11 LEU 3 HD11 LEU 3 -4.199 1.372 2.043
16 HD12 LEU 3 HD12 LEU 3 -2.762 1.903 2.913
17 HD13 LEU 3 HD13 LEU 3 -2.805 1.982 1.153
18 HD21 LEU 3 HD21 LEU 3 -5.607 2.862 3.353
19 HD22 LEU 3 HD22 LEU 3 -5.298 4.596 3.391
20 HD23 LEU 3 HD23 LEU 3 -4.235 3.493 4.267
21 H GLY 4 H GLY 4 -1.555 6.513 4.010
22 HA2 GLY 4 HA3 GLY 4 -0.324 8.768 2.611
23 HA3 GLY 4 HA2 GLY 4 0.144 8.158 4.201
24 H ILE 5 H ILE 5 1.864 8.946 2.044
25 HA ILE 5 HA ILE 5 2.633 6.683 0.682
26 HB ILE 5 HB ILE 5 3.157 8.824 -0.303
27 HG12 ILE 5 HG13 ILE 5 5.542 7.314 0.593
28 HG13 ILE 5 HG12 ILE 5 4.540 6.990 -0.821
29 HG21 ILE 5 HG21 ILE 5 5.035 9.324 2.004
30 HG22 ILE 5 HG22 ILE 5 3.462 10.080 1.794
31 HG23 ILE 5 HG23 ILE 5 4.740 10.380 0.615
32 HD11 ILE 5 HD11 ILE 5 6.653 8.031 -1.506
33 HD12 ILE 5 HD12 ILE 5 6.359 9.367 -0.400
34 HD13 ILE 5 HD13 ILE 5 5.318 9.149 -1.805
35 H TRP 6 H TRP 6 3.708 7.936 3.648
36 HA TRP 6 HA TRP 6 5.652 5.854 3.669
37 HB2 TRP 6 HB3 TRP 6 5.218 8.092 5.546
38 HB3 TRP 6 HB2 TRP 6 6.514 6.899 5.748
39 HD1 TRP 6 HD1 TRP 6 6.103 10.185 4.501
40 HE1 TRP 6 HE1 TRP 6 7.833 10.826 2.659
41 HE3 TRP 6 HE3 TRP 6 7.773 5.528 3.348
42 HZ2 TRP 6 HZ2 TRP 6 9.647 9.471 0.949
43 HZ3 TRP 6 HZ3 TRP 6 9.467 5.264 1.608
44 HH2 TRP 6 HH2 TRP 6 10.389 7.198 0.434
45 H LYS 7 H LYS 7 2.655 5.684 4.093
46 HA LYS 7 HA LYS 7 2.508 4.784 6.835
47 HB2 LYS 7 HB3 LYS 7 0.486 5.320 4.726
48 HB3 LYS 7 HB2 LYS 7 0.084 4.499 6.206
49 HG2 LYS 7 HG3 LYS 7 1.254 7.283 6.031
50 HG3 LYS 7 HG2 LYS 7 -0.456 6.932 6.264
51 HD2 LYS 7 HD3 LYS 7 1.795 6.213 8.166
52 HD3 LYS 7 HD2 LYS 7 0.624 7.505 8.378
53 HE2 LYS 7 HE3 LYS 7 -0.023 4.548 8.272
54 HE3 LYS 7 HE2 LYS 7 0.053 5.538 9.722
55 HZ1 LYS 7 HZ1 LYS 7 -1.803 6.830 8.925
56 HZ2 LYS 7 HZ2 LYS 7 -2.219 5.204 8.927
57 HZ3 LYS 7 HZ3 LYS 7 -1.851 5.976 7.481
58 H ALA 8 H ALA 8 1.936 2.805 7.387
59 HA ALA 8 HA ALA 8 2.772 0.706 5.675
60 HB1 ALA 8 HB1 ALA 8 2.206 -0.757 7.551
61 HB2 ALA 8 HB2 ALA 8 1.401 0.590 8.360
62 HB3 ALA 8 HB3 ALA 8 3.142 0.637 8.095
63 H CYS 9 H CYS 9 1.568 0.173 4.052
64 HA CYS 9 HA CYS 9 -1.316 0.121 4.256
65 HB2 CYS 9 HB3 CYS 9 -1.017 -0.513 1.794
66 HB3 CYS 9 HB2 CYS 9 -0.708 1.140 2.265
67 H ASN 10 H ASN 10 -2.060 -1.840 2.624
68 HA ASN 10 HA ASN 10 -0.916 -4.234 3.802
69 HB2 ASN 10 HB3 ASN 10 -3.691 -3.439 3.034
70 HB3 ASN 10 HB2 ASN 10 -3.231 -5.133 3.115
71 HD21 ASN 10 HD21 ASN 10 -2.874 -6.038 5.184
72 HD22 ASN 10 HD22 ASN 10 -3.320 -5.206 6.630
73 HA PRO 11 HA PRO 11 0.539 -4.412 -0.485
74 HB2 PRO 11 HB3 PRO 11 1.257 -7.117 0.540
75 HB3 PRO 11 HB2 PRO 11 2.235 -5.973 -0.383
76 HG2 PRO 11 HG3 PRO 11 2.665 -6.244 2.200
77 HG3 PRO 11 HG2 PRO 11 2.632 -4.620 1.487
78 HD2 PRO 11 HD3 PRO 11 0.543 -6.019 3.102
79 HD3 PRO 11 HD2 PRO 11 1.057 -4.319 3.140
80 H SER 12 H SER 12 -1.173 -7.030 1.112
81 HA SER 12 HA SER 12 -1.969 -8.150 -1.412
82 HB2 SER 12 HB3 SER 12 -1.355 -9.601 0.503
83 HB3 SER 12 HB2 SER 12 -2.745 -8.987 1.392
84 HG SER 12 HG SER 12 -2.904 -10.284 -1.104
85 H ASN 13 H ASN 13 -3.097 -5.649 0.421
86 HA ASN 13 HA ASN 13 -5.841 -5.868 -0.665
87 HB2 ASN 13 HB3 ASN 13 -5.018 -4.520 1.941
88 HB3 ASN 13 HB2 ASN 13 -6.638 -4.580 1.276
89 HD21 ASN 13 HD21 ASN 13 -7.825 -6.487 1.465
90 HD22 ASN 13 HD22 ASN 13 -7.345 -7.758 2.516
91 H ASP 14 H ASP 14 -3.549 -4.926 -1.846
92 HA ASP 14 HA ASP 14 -2.722 -2.370 -1.483
93 HB2 ASP 14 HB3 ASP 14 -1.562 -3.885 -2.937
94 HB3 ASP 14 HB2 ASP 14 -2.928 -3.925 -4.048
95 H GLN 15 H GLN 15 -3.813 -0.665 -1.446
96 HA GLN 15 HA GLN 15 -5.664 0.000 -3.586
97 HB2 GLN 15 HB3 GLN 15 -7.121 1.205 -1.945
98 HB3 GLN 15 HB2 GLN 15 -7.079 -0.537 -1.727
99 HG2 GLN 15 HG3 GLN 15 -5.603 -0.292 0.195
100 HG3 GLN 15 HG2 GLN 15 -5.553 1.449 -0.053
101 HE21 GLN 15 HE21 GLN 15 -8.374 1.690 -0.660
102 HE22 GLN 15 HE22 GLN 15 -9.197 1.450 0.833
103 H CYS 16 H CYS 16 -4.024 1.431 -0.777
104 HA CYS 16 HA CYS 16 -2.933 3.363 -0.434
105 HB2 CYS 16 HB3 CYS 16 -1.359 1.999 -1.856
106 HB3 CYS 16 HB2 CYS 16 -1.921 2.913 -3.252
107 H CYS 17 H CYS 17 -2.225 5.261 -2.657
108 HA CYS 17 HA CYS 17 -4.833 6.583 -2.601
109 HB2 CYS 17 HB3 CYS 17 -2.688 7.806 -1.923
110 HB3 CYS 17 HB2 CYS 17 -2.310 7.742 -3.644
111 H LYS 18 H LYS 18 -6.082 6.370 -4.207
112 HA LYS 18 HA LYS 18 -5.108 5.543 -6.805
113 HB2 LYS 18 HB3 LYS 18 -7.922 6.169 -5.858
114 HB3 LYS 18 HB2 LYS 18 -7.524 5.633 -7.474
115 HG2 LYS 18 HG3 LYS 18 -6.974 4.043 -4.977
116 HG3 LYS 18 HG2 LYS 18 -8.382 3.826 -6.016
117 HD2 LYS 18 HD3 LYS 18 -6.869 3.338 -7.906
118 HD3 LYS 18 HD2 LYS 18 -5.490 3.480 -6.818
119 HE2 LYS 18 HE3 LYS 18 -6.351 1.614 -5.491
120 HE3 LYS 18 HE2 LYS 18 -7.736 1.483 -6.573
121 HZ1 LYS 18 HZ1 LYS 18 -6.214 0.956 -8.386
122 HZ2 LYS 18 HZ2 LYS 18 -6.010 -0.133 -7.125
123 HZ3 LYS 18 HZ3 LYS 18 -4.897 1.105 -7.354
124 H SER 19 H SER 19 -6.090 8.374 -5.193
125 HA SER 19 HA SER 19 -6.584 10.017 -7.432
126 HB2 SER 19 HB3 SER 19 -5.671 10.871 -4.690
127 HB3 SER 19 HB2 SER 19 -6.602 11.817 -5.856
128 HG SER 19 HG SER 19 -8.079 9.833 -5.647
129 H SER 20 H SER 20 -3.613 9.069 -5.788
130 HA SER 20 HA SER 20 -2.175 10.987 -7.477
131 HB2 SER 20 HB3 SER 20 -1.303 9.704 -4.909
132 HB3 SER 20 HB2 SER 20 -0.376 10.871 -5.866
133 HG SER 20 HG SER 20 -2.036 12.369 -5.536
134 H LYS 21 H LYS 21 -3.075 7.921 -7.444
135 HA LYS 21 HA LYS 21 -2.469 6.037 -8.419
136 HB2 LYS 21 HB3 LYS 21 -0.472 7.735 -9.920
137 HB3 LYS 21 HB2 LYS 21 -1.113 6.176 -10.435
138 HG2 LYS 21 HG3 LYS 21 -2.721 8.655 -10.016
139 HG3 LYS 21 HG2 LYS 21 -2.144 8.114 -11.598
140 HD2 LYS 21 HD3 LYS 21 -3.439 6.027 -11.320
141 HD3 LYS 21 HD2 LYS 21 -4.007 6.597 -9.752
142 HE2 LYS 21 HE3 LYS 21 -5.701 6.952 -11.440
143 HE3 LYS 21 HE2 LYS 21 -5.099 8.498 -10.847
144 HZ1 LYS 21 HZ1 LYS 21 -4.321 7.179 -13.388
145 HZ2 LYS 21 HZ2 LYS 21 -3.732 8.663 -12.850
146 HZ3 LYS 21 HZ3 LYS 21 -5.360 8.487 -13.230
147 H LEU 22 H LEU 22 -1.513 5.710 -6.079
148 HA LEU 22 HA LEU 22 1.325 5.444 -6.151
149 HB2 LEU 22 HB3 LEU 22 -0.651 5.743 -3.920
150 HB3 LEU 22 HB2 LEU 22 1.083 5.604 -3.755
151 HG LEU 22 HG LEU 22 -0.538 7.885 -4.818
152 HD11 LEU 22 HD11 LEU 22 1.385 7.683 -2.512
153 HD12 LEU 22 HD12 LEU 22 -0.372 7.766 -2.408
154 HD13 LEU 22 HD13 LEU 22 0.541 9.146 -3.018
155 HD21 LEU 22 HD21 LEU 22 1.285 7.837 -6.291
156 HD22 LEU 22 HD22 LEU 22 2.361 7.353 -5.011
157 HD23 LEU 22 HD23 LEU 22 1.757 9.027 -5.053
158 H VAL 23 H VAL 23 2.029 3.575 -5.338
159 HA VAL 23 HA VAL 23 0.150 1.256 -5.278
160 HB VAL 23 HB VAL 23 3.083 1.133 -5.972
161 HG11 VAL 23 HG11 VAL 23 2.199 -0.987 -5.252
162 HG12 VAL 23 HG12 VAL 23 2.577 -1.048 -6.972
163 HG13 VAL 23 HG13 VAL 23 0.903 -0.890 -6.445
164 HG21 VAL 23 HG21 VAL 23 0.790 1.269 -7.929
165 HG22 VAL 23 HG22 VAL 23 2.479 0.977 -8.350
166 HG23 VAL 23 HG23 VAL 23 1.996 2.522 -7.651
167 H CYS 24 H CYS 24 0.676 -0.448 -3.714
168 HA CYS 24 HA CYS 24 2.100 0.591 -1.401
169 HB2 CYS 24 HB3 CYS 24 -0.124 -0.323 -1.014
170 HB3 CYS 24 HB2 CYS 24 0.334 -1.841 -1.770
171 H SER 25 H SER 25 3.967 -0.248 -0.651
172 HA SER 25 HA SER 25 5.502 -1.954 -2.247
173 HB2 SER 25 HB3 SER 25 5.996 -0.788 0.483
174 HB3 SER 25 HB2 SER 25 7.188 -1.419 -0.641
175 HG SER 25 HG SER 25 5.607 0.892 -0.855
176 H ARG 26 H ARG 26 6.349 -3.987 -1.390
177 HA ARG 26 HA ARG 26 4.410 -5.304 0.368
178 HB2 ARG 26 HB3 ARG 26 4.743 -6.223 -1.895
179 HB3 ARG 26 HB2 ARG 26 6.440 -6.475 -1.489
180 HG2 ARG 26 HG3 ARG 26 5.788 -8.071 0.249
181 HG3 ARG 26 HG2 ARG 26 4.092 -7.812 -0.153
182 HD2 ARG 26 HD3 ARG 26 6.183 -8.894 -2.039
183 HD3 ARG 26 HD2 ARG 26 4.989 -9.867 -1.185
184 HE ARG 26 HE ARG 26 3.785 -7.793 -2.714
185 HH11 ARG 26 HH11 ARG 26 5.117 -11.057 -2.971
186 HH12 ARG 26 HH12 ARG 26 4.272 -11.442 -4.398
187 HH21 ARG 26 HH21 ARG 26 2.578 -8.347 -4.654
188 HH22 ARG 26 HH22 ARG 26 2.788 -9.870 -5.362
189 H LYS 27 H LYS 27 7.868 -5.345 -0.310
190 HA LYS 27 HA LYS 27 8.502 -6.780 2.062
191 HB2 LYS 27 HB3 LYS 27 9.870 -6.943 0.042
192 HB3 LYS 27 HB2 LYS 27 10.246 -5.235 0.141
193 HG2 LYS 27 HG3 LYS 27 12.116 -6.592 0.903
194 HG3 LYS 27 HG2 LYS 27 11.469 -5.609 2.215
195 HD2 LYS 27 HD3 LYS 27 10.262 -7.540 3.085
196 HD3 LYS 27 HD2 LYS 27 10.855 -8.529 1.749
197 HE2 LYS 27 HE3 LYS 27 12.159 -8.929 3.756
198 HE3 LYS 27 HE2 LYS 27 13.148 -8.171 2.512
199 HZ1 LYS 27 HZ1 LYS 27 11.927 -6.785 4.843
200 HZ2 LYS 27 HZ2 LYS 27 12.909 -6.048 3.685
201 HZ3 LYS 27 HZ3 LYS 27 13.530 -7.248 4.698
202 H THR 28 H THR 28 8.398 -3.460 1.115
203 HA THR 28 HA THR 28 9.654 -2.689 3.637
204 HB THR 28 HB THR 28 9.482 -0.350 2.538
205 HG1 THR 28 HG1 THR 28 9.286 -0.490 0.282
206 HG21 THR 28 HG21 THR 28 11.569 -1.627 2.768
207 HG22 THR 28 HG22 THR 28 11.504 -0.796 1.209
208 HG23 THR 28 HG23 THR 28 11.175 -2.530 1.306
209 H ARG 29 H ARG 29 6.656 -2.735 2.061
210 HA ARG 29 HA ARG 29 4.603 -2.116 2.489
211 HB2 ARG 29 HB3 ARG 29 4.966 -3.816 4.210
212 HB3 ARG 29 HB2 ARG 29 5.383 -2.546 5.352
213 HG2 ARG 29 HG3 ARG 29 3.181 -1.633 5.248
214 HG3 ARG 29 HG2 ARG 29 2.738 -2.734 3.944
215 HD2 ARG 29 HD3 ARG 29 1.823 -3.581 5.977
216 HD3 ARG 29 HD2 ARG 29 3.158 -4.611 5.457
217 HE ARG 29 HE ARG 29 4.240 -2.781 7.210
218 HH11 ARG 29 HH11 ARG 29 1.775 -5.303 7.351
219 HH12 ARG 29 HH12 ARG 29 2.024 -5.659 8.993
220 HH21 ARG 29 HH21 ARG 29 4.584 -3.237 9.423
221 HH22 ARG 29 HH22 ARG 29 3.693 -4.469 10.207
222 H TRP 30 H TRP 30 4.789 -0.122 1.693
223 HA TRP 30 HA TRP 30 3.504 1.840 3.098
224 HB2 TRP 30 HB3 TRP 30 5.130 3.689 2.902
225 HB3 TRP 30 HB2 TRP 30 5.597 2.556 4.132
226 HD1 TRP 30 HD1 TRP 30 6.508 3.413 0.448
227 HE1 TRP 30 HE1 TRP 30 9.044 3.126 0.154
228 HE3 TRP 30 HE3 TRP 30 7.651 1.638 5.090
229 HZ2 TRP 30 HZ2 TRP 30 11.249 2.259 1.711
230 HZ3 TRP 30 HZ3 TRP 30 9.999 1.117 5.612
231 HH2 TRP 30 HH2 TRP 30 11.753 1.425 3.948
232 H CYS 31 H CYS 31 3.637 3.836 1.633
233 HA CYS 31 HA CYS 31 2.855 2.613 -0.823
234 HB2 CYS 31 HB3 CYS 31 2.118 4.924 0.738
235 HB3 CYS 31 HB2 CYS 31 1.992 5.180 -1.020
236 H LYS 32 H LYS 32 3.532 3.376 -2.827
237 HA LYS 32 HA LYS 32 6.129 4.744 -2.770
238 HB2 LYS 32 HB3 LYS 32 4.927 3.174 -5.051
239 HB3 LYS 32 HB2 LYS 32 6.587 3.744 -4.891
240 HG2 LYS 32 HG3 LYS 32 6.872 2.263 -2.972
241 HG3 LYS 32 HG2 LYS 32 5.230 1.694 -3.217
242 HD2 LYS 32 HD3 LYS 32 6.706 0.081 -4.205
243 HD3 LYS 32 HD2 LYS 32 5.912 0.949 -5.517
244 HE2 LYS 32 HE3 LYS 32 8.271 0.657 -6.014
245 HE3 LYS 32 HE2 LYS 32 7.924 2.363 -5.769
246 HZ1 LYS 32 HZ1 LYS 32 9.976 1.642 -4.664
247 HZ2 LYS 32 HZ2 LYS 32 9.110 0.556 -3.725
248 HZ3 LYS 32 HZ3 LYS 32 8.857 2.210 -3.543
249 H TRP 33 H TRP 33 6.431 6.459 -4.032
250 HA TRP 33 HA TRP 33 4.067 7.901 -4.746
251 HB2 TRP 33 HB3 TRP 33 6.216 8.926 -3.753
252 HB3 TRP 33 HB2 TRP 33 6.863 8.803 -5.389
253 HD1 TRP 33 HD1 TRP 33 6.382 10.808 -6.937
254 HE1 TRP 33 HE1 TRP 33 4.750 12.819 -6.885
255 HE3 TRP 33 HE3 TRP 33 3.647 9.577 -2.787
256 HZ2 TRP 33 HZ2 TRP 33 2.631 13.741 -5.308
257 HZ3 TRP 33 HZ3 TRP 33 1.842 11.083 -2.078
258 HH2 TRP 33 HH2 TRP 33 1.344 13.121 -3.316
259 H GLN 34 H GLN 34 3.743 8.773 -6.937
260 HA GLN 34 HA GLN 34 3.948 6.714 -8.861
261 HB2 GLN 34 HB3 GLN 34 2.898 8.332 -10.413
262 HB3 GLN 34 HB2 GLN 34 2.040 8.182 -8.889
263 HG2 GLN 34 HG3 GLN 34 2.917 10.262 -8.110
264 HG3 GLN 34 HG2 GLN 34 3.983 10.403 -9.498
265 HE21 GLN 34 HE21 GLN 34 2.023 12.252 -8.590
266 HE22 GLN 34 HE22 GLN 34 0.890 12.454 -9.869
267 H ILE 35 H ILE 35 5.874 9.485 -8.175
268 HA ILE 35 HA ILE 35 7.341 9.274 -10.680
269 HB ILE 35 HB ILE 35 7.883 11.139 -8.339
270 HG12 ILE 35 HG12 ILE 35 6.287 11.666 -10.869
271 HG13 ILE 35 HG11 ILE 35 5.635 11.528 -9.245
272 HG21 ILE 35 HG21 ILE 35 9.139 12.457 -10.002
273 HG22 ILE 35 HG22 ILE 35 8.805 11.216 -11.212
274 HG23 ILE 35 HG23 ILE 35 9.798 10.831 -9.809
275 HD11 ILE 35 HD11 ILE 35 5.787 13.848 -9.964
276 HD12 ILE 35 HD12 ILE 35 7.531 13.671 -10.176
277 HD13 ILE 35 HD13 ILE 35 6.818 13.536 -8.569
278 HN1 NH2 36 HN1 NH2 36 8.365 7.340 -10.483
279 HN2 NH2 36 HN2 NH2 36 9.549 6.974 -9.277
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 -10.846 7.066 1.737
2 H2 GLY 1 H2 GLY 1 -9.292 7.512 2.165
3 H3 GLY 1 H3 GLY 1 -9.606 5.917 1.701
4 HA2 GLY 1 HA2 GLY 1 -10.191 6.652 -0.518
5 HA3 GLY 1 HA3 GLY 1 -9.764 8.290 -0.037
6 H CYS 2 H CYS 2 -7.456 7.964 1.386
7 HA CYS 2 HA CYS 2 -5.684 6.498 -0.377
8 HB2 CYS 2 HB3 CYS 2 -5.337 9.397 0.358
9 HB3 CYS 2 HB2 CYS 2 -4.136 8.400 -0.382
10 H LEU 3 H LEU 3 -3.447 6.639 0.467
11 HA LEU 3 HA LEU 3 -3.240 6.796 3.344
12 HB2 LEU 3 HB3 LEU 3 -2.055 4.757 1.456
13 HB3 LEU 3 HB2 LEU 3 -1.602 4.946 3.130
14 HG LEU 3 HG LEU 3 -4.322 4.075 2.135
15 HD11 LEU 3 HD11 LEU 3 -2.107 2.528 3.454
16 HD12 LEU 3 HD12 LEU 3 -2.631 2.371 1.778
17 HD13 LEU 3 HD13 LEU 3 -3.714 1.909 3.091
18 HD21 LEU 3 HD21 LEU 3 -4.776 3.568 4.493
19 HD22 LEU 3 HD22 LEU 3 -4.494 5.287 4.239
20 HD23 LEU 3 HD23 LEU 3 -3.226 4.278 4.943
21 H GLY 4 H GLY 4 -0.802 6.932 3.751
22 HA2 GLY 4 HA3 GLY 4 0.263 8.980 1.921
23 HA3 GLY 4 HA2 GLY 4 0.724 8.788 3.612
24 H ILE 5 H ILE 5 2.611 9.122 1.821
25 HA ILE 5 HA ILE 5 3.453 6.771 0.590
26 HB ILE 5 HB ILE 5 4.052 8.959 -0.316
27 HG12 ILE 5 HG13 ILE 5 6.408 7.469 0.690
28 HG13 ILE 5 HG12 ILE 5 5.458 7.069 -0.747
29 HG21 ILE 5 HG21 ILE 5 4.240 10.249 1.723
30 HG22 ILE 5 HG22 ILE 5 5.721 10.398 0.779
31 HG23 ILE 5 HG23 ILE 5 5.680 9.344 2.192
32 HD11 ILE 5 HD11 ILE 5 7.574 8.181 -1.372
33 HD12 ILE 5 HD12 ILE 5 7.143 9.557 -0.357
34 HD13 ILE 5 HD13 ILE 5 6.188 9.190 -1.790
35 H TRP 6 H TRP 6 4.015 8.029 3.665
36 HA TRP 6 HA TRP 6 5.963 5.991 4.203
37 HB2 TRP 6 HB3 TRP 6 5.039 8.356 5.754
38 HB3 TRP 6 HB2 TRP 6 6.116 7.146 6.446
39 HD1 TRP 6 HD1 TRP 6 6.218 10.321 4.590
40 HE1 TRP 6 HE1 TRP 6 8.591 10.738 3.648
41 HE3 TRP 6 HE3 TRP 6 8.176 5.672 5.263
42 HZ2 TRP 6 HZ2 TRP 6 10.965 9.267 3.238
43 HZ3 TRP 6 HZ3 TRP 6 10.466 5.236 4.572
44 HH2 TRP 6 HH2 TRP 6 11.854 7.005 3.574
45 H LYS 7 H LYS 7 2.800 5.894 3.994
46 HA LYS 7 HA LYS 7 2.283 5.031 6.695
47 HB2 LYS 7 HB3 LYS 7 0.545 5.966 4.477
48 HB3 LYS 7 HB2 LYS 7 -0.117 5.075 5.833
49 HG2 LYS 7 HG3 LYS 7 0.819 6.820 7.360
50 HG3 LYS 7 HG2 LYS 7 1.373 7.708 5.941
51 HD2 LYS 7 HD3 LYS 7 -0.915 7.979 5.189
52 HD3 LYS 7 HD2 LYS 7 -1.498 6.996 6.529
53 HE2 LYS 7 HE3 LYS 7 -0.071 9.643 6.758
54 HE3 LYS 7 HE2 LYS 7 -1.804 9.406 6.924
55 HZ1 LYS 7 HZ1 LYS 7 0.286 8.280 8.731
56 HZ2 LYS 7 HZ2 LYS 7 -1.366 8.014 8.896
57 HZ3 LYS 7 HZ3 LYS 7 -0.744 9.550 9.070
58 H ALA 8 H ALA 8 0.938 3.172 7.007
59 HA ALA 8 HA ALA 8 2.100 0.997 5.562
60 HB1 ALA 8 HB1 ALA 8 1.046 -0.405 7.228
61 HB2 ALA 8 HB2 ALA 8 0.132 0.976 7.834
62 HB3 ALA 8 HB3 ALA 8 1.887 0.941 7.999
63 H CYS 9 H CYS 9 1.266 0.038 3.954
64 HA CYS 9 HA CYS 9 -1.603 0.284 3.433
65 HB2 CYS 9 HB3 CYS 9 -0.935 -0.346 1.110
66 HB3 CYS 9 HB2 CYS 9 -0.453 1.253 1.605
67 H ASN 10 H ASN 10 -1.998 -1.692 1.727
68 HA ASN 10 HA ASN 10 -1.258 -4.064 3.255
69 HB2 ASN 10 HB3 ASN 10 -3.795 -3.220 1.970
70 HB3 ASN 10 HB2 ASN 10 -3.405 -4.922 2.065
71 HD21 ASN 10 HD21 ASN 10 -5.600 -3.546 3.293
72 HD22 ASN 10 HD22 ASN 10 -5.424 -3.751 5.001
73 HA PRO 11 HA PRO 11 0.770 -5.120 -0.753
74 HB2 PRO 11 HB3 PRO 11 1.137 -7.481 1.053
75 HB3 PRO 11 HB2 PRO 11 2.280 -6.767 -0.086
76 HG2 PRO 11 HG3 PRO 11 2.551 -6.277 2.493
77 HG3 PRO 11 HG2 PRO 11 2.741 -4.954 1.328
78 HD2 PRO 11 HD3 PRO 11 0.460 -5.533 3.167
79 HD3 PRO 11 HD2 PRO 11 1.108 -3.981 2.618
80 H SER 12 H SER 12 -1.328 -6.925 1.345
81 HA SER 12 HA SER 12 -2.264 -8.842 -0.556
82 HB2 SER 12 HB3 SER 12 -2.304 -9.285 1.874
83 HB3 SER 12 HB2 SER 12 -3.486 -7.991 2.069
84 HG SER 12 HG SER 12 -4.372 -9.687 0.200
85 H ASN 13 H ASN 13 -3.077 -5.506 -0.092
86 HA ASN 13 HA ASN 13 -5.233 -5.764 -1.905
87 HB2 ASN 13 HB3 ASN 13 -6.489 -6.146 0.165
88 HB3 ASN 13 HB2 ASN 13 -5.753 -4.726 0.900
89 HD21 ASN 13 HD21 ASN 13 -8.034 -5.847 -1.501
90 HD22 ASN 13 HD22 ASN 13 -8.857 -4.347 -1.688
91 H ASP 14 H ASP 14 -4.027 -4.619 -3.183
92 HA ASP 14 HA ASP 14 -2.646 -2.351 -2.288
93 HB2 ASP 14 HB3 ASP 14 -1.775 -3.680 -4.097
94 HB3 ASP 14 HB2 ASP 14 -3.197 -3.333 -5.078
95 H GLN 15 H GLN 15 -3.492 -0.447 -2.018
96 HA GLN 15 HA GLN 15 -5.406 0.590 -3.906
97 HB2 GLN 15 HB3 GLN 15 -6.802 -0.366 -2.080
98 HB3 GLN 15 HB2 GLN 15 -5.971 0.681 -0.937
99 HG2 GLN 15 HG3 GLN 15 -6.761 2.636 -2.134
100 HG3 GLN 15 HG2 GLN 15 -7.614 1.608 -3.280
101 HE21 GLN 15 HE21 GLN 15 -9.628 2.292 -2.812
102 HE22 GLN 15 HE22 GLN 15 -10.425 2.046 -1.307
103 H CYS 16 H CYS 16 -4.208 1.503 -0.680
104 HA CYS 16 HA CYS 16 -3.237 3.470 0.072
105 HB2 CYS 16 HB3 CYS 16 -1.370 2.287 -1.102
106 HB3 CYS 16 HB2 CYS 16 -1.791 3.162 -2.572
107 H CYS 17 H CYS 17 -2.252 5.447 -2.078
108 HA CYS 17 HA CYS 17 -4.808 6.768 -2.168
109 HB2 CYS 17 HB3 CYS 17 -2.615 7.980 -1.672
110 HB3 CYS 17 HB2 CYS 17 -2.331 7.778 -3.410
111 H LYS 18 H LYS 18 -5.962 5.859 -3.478
112 HA LYS 18 HA LYS 18 -5.276 4.916 -6.081
113 HB2 LYS 18 HB3 LYS 18 -7.763 4.757 -6.430
114 HB3 LYS 18 HB2 LYS 18 -7.165 3.915 -5.010
115 HG2 LYS 18 HG3 LYS 18 -7.905 5.794 -3.601
116 HG3 LYS 18 HG2 LYS 18 -8.537 6.601 -5.036
117 HD2 LYS 18 HD3 LYS 18 -10.107 4.805 -5.405
118 HD3 LYS 18 HD2 LYS 18 -9.407 3.879 -4.080
119 HE2 LYS 18 HE3 LYS 18 -11.486 4.949 -3.397
120 HE3 LYS 18 HE2 LYS 18 -10.120 5.592 -2.492
121 HZ1 LYS 18 HZ1 LYS 18 -11.436 6.911 -4.812
122 HZ2 LYS 18 HZ2 LYS 18 -10.152 7.552 -3.921
123 HZ3 LYS 18 HZ3 LYS 18 -11.638 7.328 -3.198
124 H SER 19 H SER 19 -6.098 7.959 -4.849
125 HA SER 19 HA SER 19 -6.819 9.099 -7.378
126 HB2 SER 19 HB3 SER 19 -6.297 10.371 -4.700
127 HB3 SER 19 HB2 SER 19 -7.104 11.124 -6.079
128 HG SER 19 HG SER 19 -8.845 10.017 -5.709
129 H SER 20 H SER 20 -3.883 8.570 -5.587
130 HA SER 20 HA SER 20 -2.505 10.553 -7.266
131 HB2 SER 20 HB3 SER 20 -2.313 10.895 -4.843
132 HB3 SER 20 HB2 SER 20 -1.638 9.266 -4.707
133 HG SER 20 HG SER 20 -0.065 10.210 -6.363
134 H LYS 21 H LYS 21 -3.224 7.388 -7.059
135 HA LYS 21 HA LYS 21 -2.562 5.541 -8.085
136 HB2 LYS 21 HB3 LYS 21 -0.707 7.329 -9.655
137 HB3 LYS 21 HB2 LYS 21 -1.340 5.763 -10.167
138 HG2 LYS 21 HG3 LYS 21 -2.986 8.195 -9.610
139 HG3 LYS 21 HG2 LYS 21 -2.469 7.737 -11.242
140 HD2 LYS 21 HD3 LYS 21 -3.725 5.607 -10.981
141 HD3 LYS 21 HD2 LYS 21 -4.228 6.120 -9.372
142 HE2 LYS 21 HE3 LYS 21 -6.007 6.513 -10.985
143 HE3 LYS 21 HE2 LYS 21 -5.403 8.031 -10.336
144 HZ1 LYS 21 HZ1 LYS 21 -4.137 8.368 -12.369
145 HZ2 LYS 21 HZ2 LYS 21 -5.759 8.134 -12.728
146 HZ3 LYS 21 HZ3 LYS 21 -4.663 6.885 -12.980
147 H LEU 22 H LEU 22 -1.474 5.478 -5.694
148 HA LEU 22 HA LEU 22 1.353 5.187 -5.940
149 HB2 LEU 22 HB3 LEU 22 -0.458 5.608 -3.582
150 HB3 LEU 22 HB2 LEU 22 1.280 5.456 -3.540
151 HG LEU 22 HG LEU 22 -0.334 7.735 -4.668
152 HD11 LEU 22 HD11 LEU 22 0.806 9.065 -2.974
153 HD12 LEU 22 HD12 LEU 22 1.630 7.624 -2.397
154 HD13 LEU 22 HD13 LEU 22 -0.128 7.754 -2.243
155 HD21 LEU 22 HD21 LEU 22 1.810 8.833 -5.161
156 HD22 LEU 22 HD22 LEU 22 1.576 7.366 -6.113
157 HD23 LEU 22 HD23 LEU 22 2.638 7.345 -4.702
158 H VAL 23 H VAL 23 2.076 3.272 -5.292
159 HA VAL 23 HA VAL 23 0.039 1.173 -5.037
160 HB VAL 23 HB VAL 23 1.648 -0.409 -6.055
161 HG11 VAL 23 HG11 VAL 23 0.026 0.641 -7.497
162 HG12 VAL 23 HG12 VAL 23 1.560 0.487 -8.359
163 HG13 VAL 23 HG13 VAL 23 1.072 2.046 -7.699
164 HG21 VAL 23 HG21 VAL 23 3.357 2.032 -6.532
165 HG22 VAL 23 HG22 VAL 23 3.664 0.418 -7.179
166 HG23 VAL 23 HG23 VAL 23 3.721 0.698 -5.437
167 H CYS 24 H CYS 24 0.610 -0.665 -3.759
168 HA CYS 24 HA CYS 24 1.956 0.242 -1.367
169 HB2 CYS 24 HB3 CYS 24 -0.219 -0.887 -1.224
170 HB3 CYS 24 HB2 CYS 24 0.513 -2.346 -1.897
171 H SER 25 H SER 25 3.870 -0.443 -0.613
172 HA SER 25 HA SER 25 5.498 -1.998 -2.284
173 HB2 SER 25 HB3 SER 25 6.453 -0.112 -1.069
174 HB3 SER 25 HB2 SER 25 6.013 -0.853 0.467
175 HG SER 25 HG SER 25 8.181 -1.204 -0.031
176 H ARG 26 H ARG 26 6.644 -3.841 -1.465
177 HA ARG 26 HA ARG 26 4.768 -5.646 -0.137
178 HB2 ARG 26 HB3 ARG 26 5.473 -6.159 -2.417
179 HB3 ARG 26 HB2 ARG 26 7.140 -6.119 -1.852
180 HG2 ARG 26 HG3 ARG 26 6.861 -8.108 -0.591
181 HG3 ARG 26 HG2 ARG 26 5.112 -8.094 -0.849
182 HD2 ARG 26 HD3 ARG 26 6.290 -9.708 -2.310
183 HD3 ARG 26 HD2 ARG 26 5.397 -8.471 -3.193
184 HE ARG 26 HE ARG 26 8.212 -7.971 -2.719
185 HH11 ARG 26 HH11 ARG 26 5.761 -9.119 -4.993
186 HH12 ARG 26 HH12 ARG 26 6.723 -8.869 -6.383
187 HH21 ARG 26 HH21 ARG 26 9.529 -7.638 -4.599
188 HH22 ARG 26 HH22 ARG 26 8.947 -8.003 -6.155
189 H LYS 27 H LYS 27 8.240 -4.877 -0.255
190 HA LYS 27 HA LYS 27 8.622 -6.447 2.140
191 HB2 LYS 27 HB3 LYS 27 11.015 -5.990 1.906
192 HB3 LYS 27 HB2 LYS 27 10.336 -6.625 0.422
193 HG2 LYS 27 HG3 LYS 27 10.352 -4.397 -0.563
194 HG3 LYS 27 HG2 LYS 27 10.952 -3.724 0.951
195 HD2 LYS 27 HD3 LYS 27 12.976 -5.092 0.752
196 HD3 LYS 27 HD2 LYS 27 12.365 -5.762 -0.758
197 HE2 LYS 27 HE3 LYS 27 12.415 -3.536 -1.774
198 HE3 LYS 27 HE2 LYS 27 12.992 -2.852 -0.255
199 HZ1 LYS 27 HZ1 LYS 27 14.827 -3.241 -1.808
200 HZ2 LYS 27 HZ2 LYS 27 14.435 -4.871 -1.886
201 HZ3 LYS 27 HZ3 LYS 27 14.981 -4.214 -0.443
202 H THR 28 H THR 28 8.063 -3.165 1.391
203 HA THR 28 HA THR 28 9.022 -2.546 4.091
204 HB THR 28 HB THR 28 9.157 -0.118 3.367
205 HG1 THR 28 HG1 THR 28 8.884 0.365 1.361
206 HG21 THR 28 HG21 THR 28 11.353 -0.438 2.340
207 HG22 THR 28 HG22 THR 28 10.976 -2.132 2.048
208 HG23 THR 28 HG23 THR 28 11.122 -1.537 3.700
209 H ARG 29 H ARG 29 6.137 -2.849 2.465
210 HA ARG 29 HA ARG 29 4.008 -2.519 3.020
211 HB2 ARG 29 HB3 ARG 29 4.888 -3.548 5.088
212 HB3 ARG 29 HB2 ARG 29 5.145 -1.953 5.755
213 HG2 ARG 29 HG3 ARG 29 2.764 -1.556 5.790
214 HG3 ARG 29 HG2 ARG 29 2.475 -3.109 4.994
215 HD2 ARG 29 HD3 ARG 29 2.127 -3.344 7.375
216 HD3 ARG 29 HD2 ARG 29 3.556 -4.240 6.824
217 HE ARG 29 HE ARG 29 4.070 -1.592 7.848
218 HH11 ARG 29 HH11 ARG 29 3.986 -5.053 8.633
219 HH12 ARG 29 HH12 ARG 29 4.932 -4.898 10.031
220 HH21 ARG 29 HH21 ARG 29 5.434 -1.410 9.777
221 HH22 ARG 29 HH22 ARG 29 5.778 -2.808 10.682
222 H TRP 30 H TRP 30 5.865 0.023 2.556
223 HA TRP 30 HA TRP 30 3.773 1.979 3.297
224 HB2 TRP 30 HB3 TRP 30 5.415 3.749 2.834
225 HB3 TRP 30 HB2 TRP 30 5.877 2.749 4.182
226 HD1 TRP 30 HD1 TRP 30 6.674 2.552 0.344
227 HE1 TRP 30 HE1 TRP 30 9.223 2.340 0.077
228 HE3 TRP 30 HE3 TRP 30 7.989 2.683 5.274
229 HZ2 TRP 30 HZ2 TRP 30 11.503 2.257 1.772
230 HZ3 TRP 30 HZ3 TRP 30 10.371 2.548 5.871
231 HH2 TRP 30 HH2 TRP 30 12.091 2.338 4.147
232 H CYS 31 H CYS 31 3.844 3.867 1.693
233 HA CYS 31 HA CYS 31 2.922 2.538 -0.630
234 HB2 CYS 31 HB3 CYS 31 2.465 5.135 0.665
235 HB3 CYS 31 HB2 CYS 31 2.103 4.989 -1.059
236 H LYS 32 H LYS 32 3.723 2.810 -2.584
237 HA LYS 32 HA LYS 32 6.345 4.030 -2.817
238 HB2 LYS 32 HB3 LYS 32 4.796 2.385 -4.812
239 HB3 LYS 32 HB2 LYS 32 6.509 2.795 -4.874
240 HG2 LYS 32 HG3 LYS 32 6.849 1.604 -2.801
241 HG3 LYS 32 HG2 LYS 32 5.166 1.134 -2.794
242 HD2 LYS 32 HD3 LYS 32 6.551 -0.709 -3.626
243 HD3 LYS 32 HD2 LYS 32 5.488 -0.117 -4.894
244 HE2 LYS 32 HE3 LYS 32 7.318 1.111 -5.890
245 HE3 LYS 32 HE2 LYS 32 8.384 0.657 -4.560
246 HZ1 LYS 32 HZ1 LYS 32 8.681 -0.713 -6.555
247 HZ2 LYS 32 HZ2 LYS 32 7.105 -1.264 -6.427
248 HZ3 LYS 32 HZ3 LYS 32 8.225 -1.630 -5.228
249 H TRP 33 H TRP 33 6.784 5.479 -4.521
250 HA TRP 33 HA TRP 33 4.518 7.209 -4.837
251 HB2 TRP 33 HB3 TRP 33 6.824 8.038 -4.111
252 HB3 TRP 33 HB2 TRP 33 7.313 7.819 -5.790
253 HD1 TRP 33 HD1 TRP 33 6.974 9.864 -7.290
254 HE1 TRP 33 HE1 TRP 33 5.594 12.063 -7.165
255 HE3 TRP 33 HE3 TRP 33 4.370 8.944 -3.003
256 HZ2 TRP 33 HZ2 TRP 33 3.666 13.220 -5.462
257 HZ3 TRP 33 HZ3 TRP 33 2.777 10.637 -2.197
258 HH2 TRP 33 HH2 TRP 33 2.439 12.724 -3.408
259 H GLN 34 H GLN 34 4.080 8.207 -6.875
260 HA GLN 34 HA GLN 34 3.485 6.260 -8.840
261 HB2 GLN 34 HB3 GLN 34 2.483 8.234 -10.032
262 HB3 GLN 34 HB2 GLN 34 1.869 7.903 -8.418
263 HG2 GLN 34 HG3 GLN 34 3.364 9.672 -7.530
264 HG3 GLN 34 HG2 GLN 34 3.861 10.028 -9.180
265 HE21 GLN 34 HE21 GLN 34 2.469 11.597 -7.104
266 HE22 GLN 34 HE22 GLN 34 1.031 12.169 -7.853
267 H ILE 35 H ILE 35 6.346 7.846 -8.463
268 HA ILE 35 HA ILE 35 6.771 8.165 -11.331
269 HB ILE 35 HB ILE 35 8.584 8.986 -9.026
270 HG12 ILE 35 HG12 ILE 35 6.926 10.660 -10.923
271 HG13 ILE 35 HG11 ILE 35 6.486 10.317 -9.259
272 HG21 ILE 35 HG21 ILE 35 9.904 10.163 -10.734
273 HG22 ILE 35 HG22 ILE 35 8.862 9.514 -11.994
274 HG23 ILE 35 HG23 ILE 35 9.876 8.426 -11.045
275 HD11 ILE 35 HD11 ILE 35 8.900 11.866 -10.183
276 HD12 ILE 35 HD12 ILE 35 8.482 11.527 -8.503
277 HD13 ILE 35 HD13 ILE 35 7.428 12.541 -9.488
278 HN1 NH2 36 HN1 NH2 36 7.028 6.210 -12.127
279 HN2 NH2 36 HN2 NH2 36 8.200 5.048 -11.625
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 -8.875 4.152 2.653
2 H2 GLY 1 H2 GLY 1 -8.990 3.288 1.210
3 H3 GLY 1 H3 GLY 1 -10.398 3.906 1.953
4 HA2 GLY 1 HA2 GLY 1 -9.683 5.245 0.053
5 HA3 GLY 1 HA3 GLY 1 -9.578 6.153 1.565
6 H CYS 2 H CYS 2 -7.902 7.503 0.601
7 HA CYS 2 HA CYS 2 -5.538 6.300 -0.350
8 HB2 CYS 2 HB3 CYS 2 -5.973 9.119 0.602
9 HB3 CYS 2 HB2 CYS 2 -4.575 8.532 -0.210
10 H LEU 3 H LEU 3 -3.514 6.807 0.582
11 HA LEU 3 HA LEU 3 -3.358 6.900 3.451
12 HB2 LEU 3 HB3 LEU 3 -2.102 4.864 1.621
13 HB3 LEU 3 HB2 LEU 3 -1.650 5.124 3.287
14 HG LEU 3 HG LEU 3 -4.360 4.209 2.350
15 HD11 LEU 3 HD11 LEU 3 -2.102 2.638 3.606
16 HD12 LEU 3 HD12 LEU 3 -2.663 2.498 1.940
17 HD13 LEU 3 HD13 LEU 3 -3.714 2.010 3.269
18 HD21 LEU 3 HD21 LEU 3 -4.490 5.384 4.469
19 HD22 LEU 3 HD22 LEU 3 -3.178 4.406 5.122
20 HD23 LEU 3 HD23 LEU 3 -4.728 3.657 4.737
21 H GLY 4 H GLY 4 -1.223 7.551 4.036
22 HA2 GLY 4 HA3 GLY 4 0.031 9.347 2.142
23 HA3 GLY 4 HA2 GLY 4 0.513 9.073 3.818
24 H ILE 5 H ILE 5 2.447 9.350 2.139
25 HA ILE 5 HA ILE 5 3.081 7.089 0.673
26 HB ILE 5 HB ILE 5 3.902 9.222 -0.053
27 HG12 ILE 5 HG13 ILE 5 6.113 7.515 0.963
28 HG13 ILE 5 HG12 ILE 5 5.232 7.307 -0.555
29 HG21 ILE 5 HG21 ILE 5 5.425 9.387 2.545
30 HG22 ILE 5 HG22 ILE 5 4.042 10.376 2.071
31 HG23 ILE 5 HG23 ILE 5 5.566 10.516 1.198
32 HD11 ILE 5 HD11 ILE 5 6.153 9.450 -1.367
33 HD12 ILE 5 HD12 ILE 5 7.446 8.320 -0.961
34 HD13 ILE 5 HD13 ILE 5 7.043 9.634 0.144
35 H TRP 6 H TRP 6 3.829 7.970 3.846
36 HA TRP 6 HA TRP 6 5.642 5.774 3.954
37 HB2 TRP 6 HB3 TRP 6 5.097 7.915 5.903
38 HB3 TRP 6 HB2 TRP 6 6.241 6.604 6.209
39 HD1 TRP 6 HD1 TRP 6 6.351 9.955 5.303
40 HE1 TRP 6 HE1 TRP 6 8.386 10.590 3.819
41 HE3 TRP 6 HE3 TRP 6 7.665 5.299 3.740
42 HZ2 TRP 6 HZ2 TRP 6 10.269 9.250 2.192
43 HZ3 TRP 6 HZ3 TRP 6 9.574 5.051 2.214
44 HH2 TRP 6 HH2 TRP 6 10.843 6.990 1.457
45 H LYS 7 H LYS 7 2.599 5.785 3.996
46 HA LYS 7 HA LYS 7 2.040 4.811 6.646
47 HB2 LYS 7 HB3 LYS 7 0.366 5.303 4.245
48 HB3 LYS 7 HB2 LYS 7 -0.259 4.514 5.666
49 HG2 LYS 7 HG3 LYS 7 0.901 7.311 5.568
50 HG3 LYS 7 HG2 LYS 7 -0.814 6.918 5.631
51 HD2 LYS 7 HD3 LYS 7 1.223 6.295 7.784
52 HD3 LYS 7 HD2 LYS 7 0.031 7.586 7.824
53 HE2 LYS 7 HE3 LYS 7 -1.779 5.920 7.741
54 HE3 LYS 7 HE2 LYS 7 -0.575 4.638 7.697
55 HZ1 LYS 7 HZ1 LYS 7 -1.380 4.904 9.915
56 HZ2 LYS 7 HZ2 LYS 7 -1.009 6.544 9.919
57 HZ3 LYS 7 HZ3 LYS 7 0.228 5.396 9.853
58 H ALA 8 H ALA 8 1.353 2.832 7.146
59 HA ALA 8 HA ALA 8 2.489 0.732 5.565
60 HB1 ALA 8 HB1 ALA 8 1.845 -0.725 7.414
61 HB2 ALA 8 HB2 ALA 8 0.909 0.587 8.128
62 HB3 ALA 8 HB3 ALA 8 2.663 0.718 8.020
63 H CYS 9 H CYS 9 1.380 0.283 3.801
64 HA CYS 9 HA CYS 9 -1.510 0.032 3.878
65 HB2 CYS 9 HB3 CYS 9 -1.053 -0.482 1.432
66 HB3 CYS 9 HB2 CYS 9 -0.824 1.170 1.960
67 H ASN 10 H ASN 10 -2.007 -1.922 2.138
68 HA ASN 10 HA ASN 10 -0.734 -4.225 3.364
69 HB2 ASN 10 HB3 ASN 10 -3.567 -3.625 2.743
70 HB3 ASN 10 HB2 ASN 10 -3.008 -5.286 2.683
71 HD21 ASN 10 HD21 ASN 10 -4.154 -5.963 4.462
72 HD22 ASN 10 HD22 ASN 10 -3.833 -5.440 6.078
73 HA PRO 11 HA PRO 11 0.598 -5.055 -0.866
74 HB2 PRO 11 HB3 PRO 11 0.864 -7.717 0.447
75 HB3 PRO 11 HB2 PRO 11 2.009 -6.880 -0.603
76 HG2 PRO 11 HG3 PRO 11 2.461 -6.910 1.988
77 HG3 PRO 11 HG2 PRO 11 2.638 -5.381 1.104
78 HD2 PRO 11 HD3 PRO 11 0.407 -6.286 2.872
79 HD3 PRO 11 HD2 PRO 11 1.168 -4.688 2.726
80 H SER 12 H SER 12 -1.527 -7.168 0.985
81 HA SER 12 HA SER 12 -2.583 -8.424 -1.382
82 HB2 SER 12 HB3 SER 12 -2.301 -9.711 0.734
83 HB3 SER 12 HB2 SER 12 -3.529 -8.695 1.486
84 HG SER 12 HG SER 12 -4.959 -9.424 -0.165
85 H ASN 13 H ASN 13 -3.199 -5.512 0.148
86 HA ASN 13 HA ASN 13 -5.735 -5.299 -1.232
87 HB2 ASN 13 HB3 ASN 13 -6.308 -5.663 1.180
88 HB3 ASN 13 HB2 ASN 13 -5.278 -4.310 1.622
89 HD21 ASN 13 HD21 ASN 13 -6.091 -2.218 1.396
90 HD22 ASN 13 HD22 ASN 13 -7.733 -1.900 0.987
91 H ASP 14 H ASP 14 -4.033 -4.584 -2.625
92 HA ASP 14 HA ASP 14 -2.491 -2.342 -1.935
93 HB2 ASP 14 HB3 ASP 14 -1.713 -3.938 -3.557
94 HB3 ASP 14 HB2 ASP 14 -3.072 -3.542 -4.621
95 H GLN 15 H GLN 15 -3.518 -0.600 -1.564
96 HA GLN 15 HA GLN 15 -5.332 0.440 -3.584
97 HB2 GLN 15 HB3 GLN 15 -6.734 -0.488 -1.802
98 HB3 GLN 15 HB2 GLN 15 -5.893 0.491 -0.614
99 HG2 GLN 15 HG3 GLN 15 -6.725 2.511 -1.658
100 HG3 GLN 15 HG2 GLN 15 -7.542 1.555 -2.894
101 HE21 GLN 15 HE21 GLN 15 -9.371 0.414 -2.347
102 HE22 GLN 15 HE22 GLN 15 -10.251 0.701 -0.894
103 H CYS 16 H CYS 16 -4.190 1.601 -0.409
104 HA CYS 16 HA CYS 16 -3.350 3.664 0.186
105 HB2 CYS 16 HB3 CYS 16 -1.394 2.496 -0.868
106 HB3 CYS 16 HB2 CYS 16 -1.809 3.239 -2.403
107 H CYS 17 H CYS 17 -2.425 5.638 -1.920
108 HA CYS 17 HA CYS 17 -5.118 6.579 -2.482
109 HB2 CYS 17 HB3 CYS 17 -3.172 8.056 -1.518
110 HB3 CYS 17 HB2 CYS 17 -2.711 8.068 -3.225
111 H LYS 18 H LYS 18 -5.854 5.731 -4.186
112 HA LYS 18 HA LYS 18 -4.209 5.278 -6.520
113 HB2 LYS 18 HB3 LYS 18 -7.162 4.798 -6.082
114 HB3 LYS 18 HB2 LYS 18 -6.349 4.491 -7.612
115 HG2 LYS 18 HG3 LYS 18 -5.760 3.147 -4.977
116 HG3 LYS 18 HG2 LYS 18 -6.628 2.438 -6.340
117 HD2 LYS 18 HD3 LYS 18 -4.610 2.659 -7.731
118 HD3 LYS 18 HD2 LYS 18 -3.747 3.364 -6.368
119 HE2 LYS 18 HE3 LYS 18 -4.126 1.289 -5.100
120 HE3 LYS 18 HE2 LYS 18 -4.862 0.568 -6.531
121 HZ1 LYS 18 HZ1 LYS 18 -2.793 0.828 -7.694
122 HZ2 LYS 18 HZ2 LYS 18 -2.505 -0.003 -6.235
123 HZ3 LYS 18 HZ3 LYS 18 -2.124 1.648 -6.379
124 H SER 19 H SER 19 -6.125 7.734 -5.250
125 HA SER 19 HA SER 19 -6.657 9.144 -7.629
126 HB2 SER 19 HB3 SER 19 -6.225 10.222 -4.835
127 HB3 SER 19 HB2 SER 19 -7.095 11.020 -6.149
128 HG SER 19 HG SER 19 -8.316 8.856 -6.068
129 H SER 20 H SER 20 -3.852 8.841 -5.531
130 HA SER 20 HA SER 20 -2.383 10.861 -7.037
131 HB2 SER 20 HB3 SER 20 -1.544 9.110 -4.756
132 HB3 SER 20 HB2 SER 20 -0.682 10.533 -5.367
133 HG SER 20 HG SER 20 -1.802 11.331 -3.716
134 H LYS 21 H LYS 21 -3.225 7.752 -7.233
135 HA LYS 21 HA LYS 21 -2.683 5.970 -8.307
136 HB2 LYS 21 HB3 LYS 21 -0.889 7.748 -9.884
137 HB3 LYS 21 HB2 LYS 21 -1.451 6.151 -10.375
138 HG2 LYS 21 HG3 LYS 21 -3.780 6.957 -10.168
139 HG3 LYS 21 HG2 LYS 21 -3.123 8.560 -9.819
140 HD2 LYS 21 HD3 LYS 21 -1.867 8.397 -11.827
141 HD3 LYS 21 HD2 LYS 21 -2.743 6.948 -12.311
142 HE2 LYS 21 HE3 LYS 21 -3.973 9.681 -11.820
143 HE3 LYS 21 HE2 LYS 21 -3.810 8.896 -13.387
144 HZ1 LYS 21 HZ1 LYS 21 -5.463 7.868 -11.136
145 HZ2 LYS 21 HZ2 LYS 21 -5.363 7.198 -12.679
146 HZ3 LYS 21 HZ3 LYS 21 -6.054 8.711 -12.461
147 H LEU 22 H LEU 22 -1.538 5.563 -6.022
148 HA LEU 22 HA LEU 22 1.246 5.080 -6.400
149 HB2 LEU 22 HB3 LEU 22 -0.462 5.516 -3.966
150 HB3 LEU 22 HB2 LEU 22 1.255 5.196 -3.973
151 HG LEU 22 HG LEU 22 -0.176 7.668 -4.924
152 HD11 LEU 22 HD11 LEU 22 1.100 8.792 -3.173
153 HD12 LEU 22 HD12 LEU 22 1.779 7.242 -2.684
154 HD13 LEU 22 HD13 LEU 22 0.043 7.535 -2.526
155 HD21 LEU 22 HD21 LEU 22 1.656 7.289 -6.444
156 HD22 LEU 22 HD22 LEU 22 2.753 7.006 -5.101
157 HD23 LEU 22 HD23 LEU 22 2.079 8.619 -5.361
158 H VAL 23 H VAL 23 1.824 3.188 -5.235
159 HA VAL 23 HA VAL 23 -0.275 1.174 -4.940
160 HB VAL 23 HB VAL 23 1.278 -0.544 -5.813
161 HG11 VAL 23 HG11 VAL 23 -0.453 0.336 -7.289
162 HG12 VAL 23 HG12 VAL 23 1.002 -0.025 -8.215
163 HG13 VAL 23 HG13 VAL 23 0.619 1.643 -7.790
164 HG21 VAL 23 HG21 VAL 23 2.937 1.794 -6.722
165 HG22 VAL 23 HG22 VAL 23 3.224 0.104 -7.156
166 HG23 VAL 23 HG23 VAL 23 3.359 0.628 -5.474
167 H CYS 24 H CYS 24 0.685 -0.787 -3.714
168 HA CYS 24 HA CYS 24 2.052 0.369 -1.418
169 HB2 CYS 24 HB3 CYS 24 -0.139 -0.722 -1.086
170 HB3 CYS 24 HB2 CYS 24 0.538 -2.233 -1.681
171 H SER 25 H SER 25 3.991 -0.299 -0.803
172 HA SER 25 HA SER 25 5.449 -2.096 -2.430
173 HB2 SER 25 HB3 SER 25 6.377 0.071 -1.507
174 HB3 SER 25 HB2 SER 25 6.316 -0.666 0.091
175 HG SER 25 HG SER 25 8.196 -1.302 -0.359
176 H ARG 26 H ARG 26 6.570 -4.005 -1.346
177 HA ARG 26 HA ARG 26 4.521 -5.206 0.359
178 HB2 ARG 26 HB3 ARG 26 5.031 -6.225 -1.845
179 HB3 ARG 26 HB2 ARG 26 6.651 -6.552 -1.241
180 HG2 ARG 26 HG3 ARG 26 5.771 -8.016 0.465
181 HG3 ARG 26 HG2 ARG 26 4.120 -7.649 -0.033
182 HD2 ARG 26 HD3 ARG 26 6.226 -9.019 -1.700
183 HD3 ARG 26 HD2 ARG 26 4.840 -9.788 -0.924
184 HE ARG 26 HE ARG 26 4.100 -7.671 -2.699
185 HH11 ARG 26 HH11 ARG 26 4.859 -11.105 -2.514
186 HH12 ARG 26 HH12 ARG 26 4.105 -11.504 -3.985
187 HH21 ARG 26 HH21 ARG 26 3.104 -8.193 -4.735
188 HH22 ARG 26 HH22 ARG 26 3.096 -9.804 -5.289
189 H LYS 27 H LYS 27 8.033 -5.385 -0.021
190 HA LYS 27 HA LYS 27 8.319 -6.639 2.528
191 HB2 LYS 27 HB3 LYS 27 10.412 -5.539 0.649
192 HB3 LYS 27 HB2 LYS 27 10.729 -6.537 2.057
193 HG2 LYS 27 HG3 LYS 27 9.523 -8.393 1.050
194 HG3 LYS 27 HG2 LYS 27 9.132 -7.393 -0.352
195 HD2 LYS 27 HD3 LYS 27 11.519 -7.150 -0.837
196 HD3 LYS 27 HD2 LYS 27 11.905 -8.153 0.558
197 HE2 LYS 27 HE3 LYS 27 10.321 -9.029 -1.861
198 HE3 LYS 27 HE2 LYS 27 12.009 -9.414 -1.556
199 HZ1 LYS 27 HZ1 LYS 27 9.680 -10.281 0.066
200 HZ2 LYS 27 HZ2 LYS 27 11.268 -10.607 0.476
201 HZ3 LYS 27 HZ3 LYS 27 10.601 -11.242 -0.949
202 H THR 28 H THR 28 8.438 -3.402 1.318
203 HA THR 28 HA THR 28 9.631 -2.552 3.864
204 HB THR 28 HB THR 28 9.738 -0.262 2.855
205 HG1 THR 28 HG1 THR 28 8.879 0.118 1.026
206 HG21 THR 28 HG21 THR 28 10.992 -2.480 1.245
207 HG22 THR 28 HG22 THR 28 11.637 -1.790 2.735
208 HG23 THR 28 HG23 THR 28 11.538 -0.799 1.273
209 H ARG 29 H ARG 29 6.690 -2.804 2.322
210 HA ARG 29 HA ARG 29 4.599 -2.174 2.644
211 HB2 ARG 29 HB3 ARG 29 5.076 -3.655 4.590
212 HB3 ARG 29 HB2 ARG 29 5.333 -2.212 5.558
213 HG2 ARG 29 HG3 ARG 29 3.035 -1.493 5.110
214 HG3 ARG 29 HG2 ARG 29 2.773 -2.947 4.150
215 HD2 ARG 29 HD3 ARG 29 3.302 -4.285 6.189
216 HD3 ARG 29 HD2 ARG 29 3.332 -2.774 7.101
217 HE ARG 29 HE ARG 29 0.960 -3.042 5.586
218 HH11 ARG 29 HH11 ARG 29 2.419 -4.020 8.671
219 HH12 ARG 29 HH12 ARG 29 0.942 -4.473 9.373
220 HH21 ARG 29 HH21 ARG 29 -1.085 -3.670 6.595
221 HH22 ARG 29 HH22 ARG 29 -1.043 -4.269 8.192
222 H TRP 30 H TRP 30 4.819 -0.181 1.654
223 HA TRP 30 HA TRP 30 3.725 1.988 3.067
224 HB2 TRP 30 HB3 TRP 30 5.450 3.665 2.569
225 HB3 TRP 30 HB2 TRP 30 6.003 2.550 3.783
226 HD1 TRP 30 HD1 TRP 30 6.285 2.304 -0.117
227 HE1 TRP 30 HE1 TRP 30 8.764 2.097 -0.753
228 HE3 TRP 30 HE3 TRP 30 8.341 2.679 4.542
229 HZ2 TRP 30 HZ2 TRP 30 11.268 2.112 0.550
230 HZ3 TRP 30 HZ3 TRP 30 10.789 2.582 4.757
231 HH2 TRP 30 HH2 TRP 30 12.216 2.305 2.798
232 H CYS 31 H CYS 31 3.787 3.892 1.526
233 HA CYS 31 HA CYS 31 2.671 2.715 -0.794
234 HB2 CYS 31 HB3 CYS 31 2.522 5.302 0.594
235 HB3 CYS 31 HB2 CYS 31 1.985 5.225 -1.092
236 H LYS 32 H LYS 32 3.551 2.890 -2.771
237 HA LYS 32 HA LYS 32 6.251 3.935 -2.944
238 HB2 LYS 32 HB3 LYS 32 4.614 2.494 -5.033
239 HB3 LYS 32 HB2 LYS 32 6.336 2.842 -5.117
240 HG2 LYS 32 HG3 LYS 32 6.685 1.464 -3.149
241 HG3 LYS 32 HG2 LYS 32 4.972 1.105 -3.118
242 HD2 LYS 32 HD3 LYS 32 5.960 -0.801 -4.155
243 HD3 LYS 32 HD2 LYS 32 5.301 0.131 -5.486
244 HE2 LYS 32 HE3 LYS 32 8.197 0.190 -4.620
245 HE3 LYS 32 HE2 LYS 32 7.568 -0.828 -5.902
246 HZ1 LYS 32 HZ1 LYS 32 8.559 1.101 -6.852
247 HZ2 LYS 32 HZ2 LYS 32 7.715 2.144 -5.880
248 HZ3 LYS 32 HZ3 LYS 32 6.906 1.273 -7.069
249 H TRP 33 H TRP 33 6.722 5.722 -3.792
250 HA TRP 33 HA TRP 33 4.633 7.508 -4.542
251 HB2 TRP 33 HB3 TRP 33 6.613 8.177 -3.161
252 HB3 TRP 33 HB2 TRP 33 7.603 8.021 -4.609
253 HD1 TRP 33 HD1 TRP 33 7.955 10.227 -5.850
254 HE1 TRP 33 HE1 TRP 33 6.658 12.474 -6.040
255 HE3 TRP 33 HE3 TRP 33 3.873 9.103 -2.994
256 HZ2 TRP 33 HZ2 TRP 33 4.274 13.585 -5.111
257 HZ3 TRP 33 HZ3 TRP 33 2.137 10.809 -2.703
258 HH2 TRP 33 HH2 TRP 33 2.340 13.004 -3.742
259 H GLN 34 H GLN 34 4.350 8.538 -6.448
260 HA GLN 34 HA GLN 34 4.461 7.090 -8.776
261 HB2 GLN 34 HB3 GLN 34 3.884 9.239 -9.913
262 HB3 GLN 34 HB2 GLN 34 2.873 8.866 -8.522
263 HG2 GLN 34 HG3 GLN 34 4.198 10.404 -7.157
264 HG3 GLN 34 HG2 GLN 34 5.193 10.776 -8.552
265 HE21 GLN 34 HE21 GLN 34 2.866 10.791 -10.374
266 HE22 GLN 34 HE22 GLN 34 2.042 12.252 -9.998
267 H ILE 35 H ILE 35 6.695 9.637 -7.726
268 HA ILE 35 HA ILE 35 8.403 9.023 -10.023
269 HB ILE 35 HB ILE 35 8.718 11.247 -7.964
270 HG12 ILE 35 HG12 ILE 35 6.726 11.682 -9.325
271 HG13 ILE 35 HG11 ILE 35 8.006 12.799 -9.752
272 HG21 ILE 35 HG21 ILE 35 10.844 10.597 -8.959
273 HG22 ILE 35 HG22 ILE 35 10.365 12.200 -9.514
274 HG23 ILE 35 HG23 ILE 35 10.169 10.805 -10.575
275 HD11 ILE 35 HD11 ILE 35 6.827 12.029 -11.724
276 HD12 ILE 35 HD12 ILE 35 7.198 10.357 -11.316
277 HD13 ILE 35 HD13 ILE 35 8.500 11.467 -11.749
278 HN1 NH2 36 HN1 NH2 36 9.383 7.191 -9.491
279 HN2 NH2 36 HN2 NH2 36 10.305 6.908 -8.054
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 -10.491 8.743 -0.416
2 H2 GLY 1 H2 GLY 1 -11.713 8.604 0.721
3 H3 GLY 1 H3 GLY 1 -11.133 7.225 -0.069
4 HA2 GLY 1 HA2 GLY 1 -9.611 8.902 1.823
5 HA3 GLY 1 HA3 GLY 1 -10.267 7.308 2.155
6 H CYS 2 H CYS 2 -7.522 8.800 1.592
7 HA CYS 2 HA CYS 2 -6.364 6.518 0.166
8 HB2 CYS 2 HB3 CYS 2 -5.473 9.387 0.127
9 HB3 CYS 2 HB2 CYS 2 -4.617 8.045 -0.570
10 H LEU 3 H LEU 3 -3.896 6.537 0.675
11 HA LEU 3 HA LEU 3 -3.639 6.765 3.557
12 HB2 LEU 3 HB3 LEU 3 -2.173 5.031 1.574
13 HB3 LEU 3 HB2 LEU 3 -1.871 5.080 3.293
14 HG LEU 3 HG LEU 3 -4.400 4.087 1.972
15 HD11 LEU 3 HD11 LEU 3 -2.171 2.630 3.368
16 HD12 LEU 3 HD12 LEU 3 -2.520 2.596 1.638
17 HD13 LEU 3 HD13 LEU 3 -3.664 1.900 2.785
18 HD21 LEU 3 HD21 LEU 3 -4.998 3.308 4.221
19 HD22 LEU 3 HD22 LEU 3 -4.885 5.063 4.137
20 HD23 LEU 3 HD23 LEU 3 -3.580 4.128 4.873
21 H GLY 4 H GLY 4 -1.132 6.821 3.915
22 HA2 GLY 4 HA3 GLY 4 -0.077 9.136 2.406
23 HA3 GLY 4 HA2 GLY 4 0.344 8.753 4.081
24 H ILE 5 H ILE 5 2.316 9.204 2.421
25 HA ILE 5 HA ILE 5 3.083 7.002 0.892
26 HB ILE 5 HB ILE 5 3.906 9.117 0.202
27 HG12 ILE 5 HG13 ILE 5 6.079 7.554 1.494
28 HG13 ILE 5 HG12 ILE 5 5.395 7.269 -0.108
29 HG21 ILE 5 HG21 ILE 5 3.759 10.341 2.290
30 HG22 ILE 5 HG22 ILE 5 5.371 10.531 1.600
31 HG23 ILE 5 HG23 ILE 5 5.118 9.427 2.948
32 HD11 ILE 5 HD11 ILE 5 6.312 9.448 -0.855
33 HD12 ILE 5 HD12 ILE 5 7.587 8.374 -0.284
34 HD13 ILE 5 HD13 ILE 5 7.011 9.684 0.747
35 H TRP 6 H TRP 6 4.041 7.929 4.033
36 HA TRP 6 HA TRP 6 5.784 5.677 4.054
37 HB2 TRP 6 HB3 TRP 6 5.343 7.829 6.032
38 HB3 TRP 6 HB2 TRP 6 6.464 6.493 6.312
39 HD1 TRP 6 HD1 TRP 6 6.517 9.885 5.171
40 HE1 TRP 6 HE1 TRP 6 8.612 10.403 3.694
41 HE3 TRP 6 HE3 TRP 6 7.998 5.130 4.143
42 HZ2 TRP 6 HZ2 TRP 6 10.565 8.967 2.292
43 HZ3 TRP 6 HZ3 TRP 6 9.969 4.778 2.724
44 HH2 TRP 6 HH2 TRP 6 11.224 6.657 1.821
45 H LYS 7 H LYS 7 2.767 5.661 4.207
46 HA LYS 7 HA LYS 7 2.324 4.645 6.865
47 HB2 LYS 7 HB3 LYS 7 0.499 5.107 4.563
48 HB3 LYS 7 HB2 LYS 7 0.020 4.477 6.114
49 HG2 LYS 7 HG3 LYS 7 1.242 7.198 5.672
50 HG3 LYS 7 HG2 LYS 7 -0.476 6.896 5.910
51 HD2 LYS 7 HD3 LYS 7 0.047 5.940 8.140
52 HD3 LYS 7 HD2 LYS 7 1.742 6.360 7.893
53 HE2 LYS 7 HE3 LYS 7 0.635 8.042 9.256
54 HE3 LYS 7 HE2 LYS 7 1.127 8.721 7.706
55 HZ1 LYS 7 HZ1 LYS 7 -1.129 9.387 8.374
56 HZ2 LYS 7 HZ2 LYS 7 -1.627 7.784 8.330
57 HZ3 LYS 7 HZ3 LYS 7 -1.124 8.548 6.922
58 H ALA 8 H ALA 8 1.987 2.664 7.310
59 HA ALA 8 HA ALA 8 2.860 0.681 5.437
60 HB1 ALA 8 HB1 ALA 8 1.837 0.356 8.258
61 HB2 ALA 8 HB2 ALA 8 3.525 0.541 7.786
62 HB3 ALA 8 HB3 ALA 8 2.627 -0.895 7.297
63 H CYS 9 H CYS 9 1.542 0.128 3.936
64 HA CYS 9 HA CYS 9 -1.328 -0.051 4.356
65 HB2 CYS 9 HB3 CYS 9 -1.200 -0.495 1.864
66 HB3 CYS 9 HB2 CYS 9 -0.816 1.124 2.403
67 H ASN 10 H ASN 10 -2.060 -1.922 2.648
68 HA ASN 10 HA ASN 10 -0.774 -4.323 3.690
69 HB2 ASN 10 HB3 ASN 10 -3.588 -3.558 3.268
70 HB3 ASN 10 HB2 ASN 10 -3.154 -5.218 2.902
71 HD21 ASN 10 HD21 ASN 10 -4.369 -6.021 4.596
72 HD22 ASN 10 HD22 ASN 10 -3.924 -5.813 6.255
73 HA PRO 11 HA PRO 11 0.480 -4.619 -0.658
74 HB2 PRO 11 HB3 PRO 11 1.238 -7.309 0.381
75 HB3 PRO 11 HB2 PRO 11 2.182 -6.181 -0.596
76 HG2 PRO 11 HG3 PRO 11 2.723 -6.425 1.978
77 HG3 PRO 11 HG2 PRO 11 2.670 -4.810 1.244
78 HD2 PRO 11 HD3 PRO 11 0.638 -6.174 2.958
79 HD3 PRO 11 HD2 PRO 11 1.172 -4.480 2.963
80 H SER 12 H SER 12 -1.151 -7.159 1.120
81 HA SER 12 HA SER 12 -2.150 -8.470 -1.240
82 HB2 SER 12 HB3 SER 12 -1.491 -9.701 0.842
83 HB3 SER 12 HB2 SER 12 -2.844 -8.942 1.671
84 HG SER 12 HG SER 12 -3.846 -10.023 -0.495
85 H ASN 13 H ASN 13 -3.090 -5.736 0.471
86 HA ASN 13 HA ASN 13 -5.837 -5.974 -0.534
87 HB2 ASN 13 HB3 ASN 13 -5.079 -4.663 2.114
88 HB3 ASN 13 HB2 ASN 13 -6.695 -4.795 1.448
89 HD21 ASN 13 HD21 ASN 13 -7.736 -6.851 1.485
90 HD22 ASN 13 HD22 ASN 13 -7.180 -8.100 2.535
91 H ASP 14 H ASP 14 -3.592 -5.010 -1.715
92 HA ASP 14 HA ASP 14 -2.802 -2.417 -1.395
93 HB2 ASP 14 HB3 ASP 14 -1.585 -3.847 -2.858
94 HB3 ASP 14 HB2 ASP 14 -2.975 -4.062 -3.915
95 H GLN 15 H GLN 15 -3.796 -0.609 -1.570
96 HA GLN 15 HA GLN 15 -5.453 -0.118 -3.855
97 HB2 GLN 15 HB3 GLN 15 -7.076 -0.729 -2.058
98 HB3 GLN 15 HB2 GLN 15 -6.426 0.567 -1.067
99 HG2 GLN 15 HG3 GLN 15 -7.077 2.179 -2.783
100 HG3 GLN 15 HG2 GLN 15 -7.811 0.875 -3.712
101 HE21 GLN 15 HE21 GLN 15 -8.060 2.882 -0.940
102 HE22 GLN 15 HE22 GLN 15 -9.689 2.488 -0.534
103 H CYS 16 H CYS 16 -4.811 1.551 -0.791
104 HA CYS 16 HA CYS 16 -3.954 3.544 -0.282
105 HB2 CYS 16 HB3 CYS 16 -1.936 2.277 -1.050
106 HB3 CYS 16 HB2 CYS 16 -2.109 3.054 -2.624
107 H CYS 17 H CYS 17 -2.765 5.486 -2.148
108 HA CYS 17 HA CYS 17 -5.316 6.431 -3.181
109 HB2 CYS 17 HB3 CYS 17 -3.364 7.893 -1.920
110 HB3 CYS 17 HB2 CYS 17 -2.960 8.009 -3.610
111 H LYS 18 H LYS 18 -5.527 5.372 -5.050
112 HA LYS 18 HA LYS 18 -3.343 5.306 -6.923
113 HB2 LYS 18 HB3 LYS 18 -6.186 4.374 -7.325
114 HB3 LYS 18 HB2 LYS 18 -4.875 4.141 -8.476
115 HG2 LYS 18 HG3 LYS 18 -3.652 2.961 -6.587
116 HG3 LYS 18 HG2 LYS 18 -5.205 2.937 -5.759
117 HD2 LYS 18 HD3 LYS 18 -6.176 1.757 -7.692
118 HD3 LYS 18 HD2 LYS 18 -4.584 1.742 -8.448
119 HE2 LYS 18 HE3 LYS 18 -5.363 0.422 -5.855
120 HE3 LYS 18 HE2 LYS 18 -4.945 -0.379 -7.369
121 HZ1 LYS 18 HZ1 LYS 18 -3.091 -0.434 -5.847
122 HZ2 LYS 18 HZ2 LYS 18 -3.143 1.228 -5.651
123 HZ3 LYS 18 HZ3 LYS 18 -2.701 0.567 -7.160
124 H SER 19 H SER 19 -5.994 7.274 -6.203
125 HA SER 19 HA SER 19 -6.044 8.759 -8.586
126 HB2 SER 19 HB3 SER 19 -6.699 9.623 -5.763
127 HB3 SER 19 HB2 SER 19 -7.184 10.463 -7.240
128 HG SER 19 HG SER 19 -8.091 8.265 -7.777
129 H SER 20 H SER 20 -3.679 8.563 -6.046
130 HA SER 20 HA SER 20 -2.392 10.915 -7.206
131 HB2 SER 20 HB3 SER 20 -1.884 9.550 -4.582
132 HB3 SER 20 HB2 SER 20 -1.056 10.989 -5.195
133 HG SER 20 HG SER 20 -3.102 12.012 -5.257
134 H LYS 21 H LYS 21 -2.564 7.793 -7.645
135 HA LYS 21 HA LYS 21 -1.443 6.268 -8.699
136 HB2 LYS 21 HB3 LYS 21 0.644 8.381 -9.113
137 HB3 LYS 21 HB2 LYS 21 0.574 6.836 -9.956
138 HG2 LYS 21 HG3 LYS 21 -1.537 8.950 -10.022
139 HG3 LYS 21 HG2 LYS 21 -0.332 8.727 -11.300
140 HD2 LYS 21 HD3 LYS 21 -1.228 6.398 -11.635
141 HD3 LYS 21 HD2 LYS 21 -2.487 6.754 -10.454
142 HE2 LYS 21 HE3 LYS 21 -3.263 8.613 -11.892
143 HE3 LYS 21 HE2 LYS 21 -2.039 8.171 -13.075
144 HZ1 LYS 21 HZ1 LYS 21 -4.204 7.283 -13.650
145 HZ2 LYS 21 HZ2 LYS 21 -4.308 6.422 -12.232
146 HZ3 LYS 21 HZ3 LYS 21 -3.132 6.033 -13.379
147 H LEU 22 H LEU 22 -1.123 6.255 -5.813
148 HA LEU 22 HA LEU 22 1.538 5.286 -5.581
149 HB2 LEU 22 HB3 LEU 22 -0.523 6.169 -3.595
150 HB3 LEU 22 HB2 LEU 22 0.838 5.190 -3.146
151 HG LEU 22 HG LEU 22 2.258 7.067 -4.181
152 HD11 LEU 22 HD11 LEU 22 0.518 8.303 -5.266
153 HD12 LEU 22 HD12 LEU 22 1.320 9.303 -4.053
154 HD13 LEU 22 HD13 LEU 22 -0.262 8.602 -3.713
155 HD21 LEU 22 HD21 LEU 22 0.815 7.449 -1.571
156 HD22 LEU 22 HD22 LEU 22 2.209 8.394 -2.082
157 HD23 LEU 22 HD23 LEU 22 2.374 6.657 -1.848
158 H VAL 23 H VAL 23 1.796 3.394 -4.912
159 HA VAL 23 HA VAL 23 -0.460 1.528 -4.679
160 HB VAL 23 HB VAL 23 0.974 -0.242 -5.689
161 HG11 VAL 23 HG11 VAL 23 0.450 2.132 -7.469
162 HG12 VAL 23 HG12 VAL 23 -0.702 0.864 -7.056
163 HG13 VAL 23 HG13 VAL 23 0.719 0.483 -8.031
164 HG21 VAL 23 HG21 VAL 23 2.929 0.424 -7.037
165 HG22 VAL 23 HG22 VAL 23 3.162 0.719 -5.313
166 HG23 VAL 23 HG23 VAL 23 2.788 2.061 -6.394
167 H CYS 24 H CYS 24 0.230 -0.508 -3.473
168 HA CYS 24 HA CYS 24 1.694 0.419 -1.170
169 HB2 CYS 24 HB3 CYS 24 -0.498 -0.700 -0.921
170 HB3 CYS 24 HB2 CYS 24 0.196 -2.160 -1.627
171 H SER 25 H SER 25 3.649 -0.237 -0.711
172 HA SER 25 HA SER 25 4.970 -1.970 -2.504
173 HB2 SER 25 HB3 SER 25 6.076 0.071 -1.650
174 HB3 SER 25 HB2 SER 25 6.039 -0.614 -0.027
175 HG SER 25 HG SER 25 8.004 -1.057 -0.859
176 H ARG 26 H ARG 26 6.182 -3.832 -1.670
177 HA ARG 26 HA ARG 26 4.464 -5.285 0.219
178 HB2 ARG 26 HB3 ARG 26 4.722 -6.112 -2.116
179 HB3 ARG 26 HB2 ARG 26 6.440 -6.290 -1.772
180 HG2 ARG 26 HG3 ARG 26 5.918 -7.929 -0.030
181 HG3 ARG 26 HG2 ARG 26 4.204 -7.792 -0.434
182 HD2 ARG 26 HD3 ARG 26 6.392 -8.670 -2.305
183 HD3 ARG 26 HD2 ARG 26 5.243 -9.736 -1.507
184 HE ARG 26 HE ARG 26 3.682 -7.956 -2.862
185 HH11 ARG 26 HH11 ARG 26 6.316 -10.079 -3.865
186 HH12 ARG 26 HH12 ARG 26 5.657 -10.435 -5.385
187 HH21 ARG 26 HH21 ARG 26 2.796 -8.388 -4.941
188 HH22 ARG 26 HH22 ARG 26 3.605 -9.439 -6.027
189 H LYS 27 H LYS 27 7.828 -5.025 -0.763
190 HA LYS 27 HA LYS 27 8.840 -6.448 1.470
191 HB2 LYS 27 HB3 LYS 27 10.231 -4.654 -0.508
192 HB3 LYS 27 HB2 LYS 27 11.045 -5.728 0.616
193 HG2 LYS 27 HG3 LYS 27 9.999 -7.661 -0.477
194 HG3 LYS 27 HG2 LYS 27 9.181 -6.580 -1.597
195 HD2 LYS 27 HD3 LYS 27 12.174 -6.927 -1.327
196 HD3 LYS 27 HD2 LYS 27 11.169 -7.574 -2.623
197 HE2 LYS 27 HE3 LYS 27 10.518 -5.215 -3.172
198 HE3 LYS 27 HE2 LYS 27 11.709 -4.676 -1.996
199 HZ1 LYS 27 HZ1 LYS 27 13.437 -5.761 -3.288
200 HZ2 LYS 27 HZ2 LYS 27 12.587 -4.639 -4.216
201 HZ3 LYS 27 HZ3 LYS 27 12.288 -6.284 -4.414
202 H THR 28 H THR 28 8.285 -3.103 0.745
203 HA THR 28 HA THR 28 9.612 -2.432 3.273
204 HB THR 28 HB THR 28 9.498 -0.045 2.524
205 HG1 THR 28 HG1 THR 28 8.518 0.451 0.783
206 HG21 THR 28 HG21 THR 28 11.520 -1.359 2.208
207 HG22 THR 28 HG22 THR 28 11.282 -0.255 0.850
208 HG23 THR 28 HG23 THR 28 10.896 -1.970 0.676
209 H ARG 29 H ARG 29 6.608 -2.551 1.747
210 HA ARG 29 HA ARG 29 4.513 -2.216 2.305
211 HB2 ARG 29 HB3 ARG 29 5.168 -3.824 4.060
212 HB3 ARG 29 HB2 ARG 29 5.471 -2.477 5.146
213 HG2 ARG 29 HG3 ARG 29 3.129 -1.821 4.987
214 HG3 ARG 29 HG2 ARG 29 2.827 -3.174 3.897
215 HD2 ARG 29 HD3 ARG 29 3.593 -4.702 5.661
216 HD3 ARG 29 HD2 ARG 29 3.737 -3.314 6.749
217 HE ARG 29 HE ARG 29 1.176 -3.429 5.577
218 HH11 ARG 29 HH11 ARG 29 3.102 -4.922 8.121
219 HH12 ARG 29 HH12 ARG 29 1.775 -5.422 9.058
220 HH21 ARG 29 HH21 ARG 29 -0.697 -4.171 6.825
221 HH22 ARG 29 HH22 ARG 29 -0.439 -4.989 8.286
222 H TRP 30 H TRP 30 4.650 -0.118 1.458
223 HA TRP 30 HA TRP 30 3.343 1.791 3.020
224 HB2 TRP 30 HB3 TRP 30 4.954 3.643 2.758
225 HB3 TRP 30 HB2 TRP 30 5.458 2.480 3.950
226 HD1 TRP 30 HD1 TRP 30 6.146 2.831 0.114
227 HE1 TRP 30 HE1 TRP 30 8.681 2.700 -0.261
228 HE3 TRP 30 HE3 TRP 30 7.622 2.274 4.963
229 HZ2 TRP 30 HZ2 TRP 30 11.026 2.433 1.322
230 HZ3 TRP 30 HZ3 TRP 30 10.027 2.102 5.456
231 HH2 TRP 30 HH2 TRP 30 11.690 2.179 3.668
232 H CYS 31 H CYS 31 3.239 3.833 1.728
233 HA CYS 31 HA CYS 31 2.277 2.840 -0.753
234 HB2 CYS 31 HB3 CYS 31 1.791 5.192 0.944
235 HB3 CYS 31 HB2 CYS 31 1.379 5.292 -0.762
236 H LYS 32 H LYS 32 3.545 2.969 -2.396
237 HA LYS 32 HA LYS 32 5.559 5.078 -2.413
238 HB2 LYS 32 HB3 LYS 32 6.801 3.690 -4.042
239 HB3 LYS 32 HB2 LYS 32 6.646 2.974 -2.442
240 HG2 LYS 32 HG3 LYS 32 4.842 1.636 -3.202
241 HG3 LYS 32 HG2 LYS 32 4.958 2.294 -4.826
242 HD2 LYS 32 HD3 LYS 32 7.270 1.429 -5.033
243 HD3 LYS 32 HD2 LYS 32 7.144 0.715 -3.426
244 HE2 LYS 32 HE3 LYS 32 5.321 -0.721 -4.201
245 HE3 LYS 32 HE2 LYS 32 5.406 0.020 -5.794
246 HZ1 LYS 32 HZ1 LYS 32 7.605 -1.530 -4.524
247 HZ2 LYS 32 HZ2 LYS 32 7.623 -0.874 -6.070
248 HZ3 LYS 32 HZ3 LYS 32 6.566 -2.116 -5.704
249 H TRP 33 H TRP 33 5.407 6.591 -3.699
250 HA TRP 33 HA TRP 33 3.758 6.444 -6.085
251 HB2 TRP 33 HB3 TRP 33 4.002 8.826 -6.204
252 HB3 TRP 33 HB2 TRP 33 3.498 8.442 -4.576
253 HD1 TRP 33 HD1 TRP 33 5.865 8.335 -2.818
254 HE1 TRP 33 HE1 TRP 33 7.678 10.185 -2.701
255 HE3 TRP 33 HE3 TRP 33 5.083 10.611 -7.336
256 HZ2 TRP 33 HZ2 TRP 33 8.621 12.292 -4.269
257 HZ3 TRP 33 HZ3 TRP 33 6.474 12.537 -7.938
258 HH2 TRP 33 HH2 TRP 33 8.208 13.359 -6.432
259 H GLN 34 H GLN 34 6.848 6.182 -4.972
260 HA GLN 34 HA GLN 34 8.089 5.315 -7.245
261 HB2 GLN 34 HB3 GLN 34 9.670 7.106 -7.825
262 HB3 GLN 34 HB2 GLN 34 8.041 7.735 -7.972
263 HG2 GLN 34 HG3 GLN 34 8.290 8.891 -5.840
264 HG3 GLN 34 HG2 GLN 34 9.914 8.229 -5.675
265 HE21 GLN 34 HE21 GLN 34 8.540 9.394 -8.704
266 HE22 GLN 34 HE22 GLN 34 9.602 10.743 -8.847
267 H ILE 35 H ILE 35 8.252 6.998 -4.238
268 HA ILE 35 HA ILE 35 9.989 4.948 -3.133
269 HB ILE 35 HB ILE 35 10.989 6.706 -1.651
270 HG12 ILE 35 HG12 ILE 35 9.695 8.665 -3.575
271 HG13 ILE 35 HG11 ILE 35 9.222 8.408 -1.903
272 HG21 ILE 35 HG21 ILE 35 11.527 7.087 -4.590
273 HG22 ILE 35 HG22 ILE 35 12.283 5.905 -3.523
274 HG23 ILE 35 HG23 ILE 35 12.580 7.627 -3.283
275 HD11 ILE 35 HD11 ILE 35 11.867 9.483 -2.845
276 HD12 ILE 35 HD12 ILE 35 11.392 9.237 -1.164
277 HD13 ILE 35 HD13 ILE 35 10.544 10.424 -2.157
278 HN1 NH2 36 HN1 NH2 36 9.698 5.048 -0.692
279 HN2 NH2 36 HN2 NH2 36 8.082 5.309 -0.139
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 -7.054 10.039 5.204
2 H2 GLY 1 H2 GLY 1 -8.611 9.397 5.249
3 H3 GLY 1 H3 GLY 1 -8.383 11.077 5.294
4 HA2 GLY 1 HA2 GLY 1 -9.104 10.328 3.115
5 HA3 GLY 1 HA3 GLY 1 -7.487 11.024 3.083
6 H CYS 2 H CYS 2 -6.665 9.851 1.406
7 HA CYS 2 HA CYS 2 -6.843 6.973 1.474
8 HB2 CYS 2 HB3 CYS 2 -5.351 7.184 -0.559
9 HB3 CYS 2 HB2 CYS 2 -6.967 7.822 -0.729
10 H LEU 3 H LEU 3 -4.395 6.169 0.642
11 HA LEU 3 HA LEU 3 -2.872 6.658 3.051
12 HB2 LEU 3 HB3 LEU 3 -2.462 4.588 0.915
13 HB3 LEU 3 HB2 LEU 3 -1.558 4.731 2.394
14 HG LEU 3 HG LEU 3 -4.435 3.905 2.102
15 HD11 LEU 3 HD11 LEU 3 -3.627 1.823 3.125
16 HD12 LEU 3 HD12 LEU 3 -1.991 2.471 3.090
17 HD13 LEU 3 HD13 LEU 3 -2.851 2.171 1.581
18 HD21 LEU 3 HD21 LEU 3 -4.454 3.619 4.548
19 HD22 LEU 3 HD22 LEU 3 -4.235 5.307 4.096
20 HD23 LEU 3 HD23 LEU 3 -2.854 4.354 4.643
21 H GLY 4 H GLY 4 -1.374 8.041 2.975
22 HA2 GLY 4 HA3 GLY 4 -0.113 8.962 0.559
23 HA3 GLY 4 HA2 GLY 4 0.337 9.421 2.200
24 H ILE 5 H ILE 5 2.434 9.205 1.150
25 HA ILE 5 HA ILE 5 3.293 6.734 0.218
26 HB ILE 5 HB ILE 5 4.206 8.769 -0.692
27 HG12 ILE 5 HG13 ILE 5 6.221 7.249 0.883
28 HG13 ILE 5 HG12 ILE 5 5.585 6.832 -0.714
29 HG21 ILE 5 HG21 ILE 5 5.642 10.274 0.560
30 HG22 ILE 5 HG22 ILE 5 5.370 9.337 2.029
31 HG23 ILE 5 HG23 ILE 5 4.032 10.205 1.279
32 HD11 ILE 5 HD11 ILE 5 7.308 9.227 -0.035
33 HD12 ILE 5 HD12 ILE 5 6.603 8.912 -1.613
34 HD13 ILE 5 HD13 ILE 5 7.817 7.809 -0.957
35 H TRP 6 H TRP 6 3.608 8.168 3.282
36 HA TRP 6 HA TRP 6 5.307 5.995 3.992
37 HB2 TRP 6 HB3 TRP 6 4.587 8.449 5.459
38 HB3 TRP 6 HB2 TRP 6 5.601 7.182 6.167
39 HD1 TRP 6 HD1 TRP 6 5.990 10.321 4.524
40 HE1 TRP 6 HE1 TRP 6 8.280 10.549 3.312
41 HE3 TRP 6 HE3 TRP 6 7.348 5.415 4.472
42 HZ2 TRP 6 HZ2 TRP 6 10.351 8.833 2.444
43 HZ3 TRP 6 HZ3 TRP 6 9.461 4.774 3.423
44 HH2 TRP 6 HH2 TRP 6 10.935 6.449 2.430
45 H LYS 7 H LYS 7 2.323 5.984 3.608
46 HA LYS 7 HA LYS 7 1.377 5.369 6.263
47 HB2 LYS 7 HB3 LYS 7 0.111 5.486 3.583
48 HB3 LYS 7 HB2 LYS 7 -0.737 4.841 4.963
49 HG2 LYS 7 HG3 LYS 7 0.408 7.642 4.769
50 HG3 LYS 7 HG2 LYS 7 -1.283 7.219 4.507
51 HD2 LYS 7 HD3 LYS 7 0.220 6.812 7.104
52 HD3 LYS 7 HD2 LYS 7 -0.870 8.146 6.753
53 HE2 LYS 7 HE3 LYS 7 -2.728 6.613 6.472
54 HE3 LYS 7 HE2 LYS 7 -1.649 5.241 6.698
55 HZ1 LYS 7 HZ1 LYS 7 -2.301 7.300 8.730
56 HZ2 LYS 7 HZ2 LYS 7 -1.208 6.027 8.933
57 HZ3 LYS 7 HZ3 LYS 7 -2.837 5.692 8.713
58 H ALA 8 H ALA 8 0.549 3.405 6.883
59 HA ALA 8 HA ALA 8 2.040 1.197 5.755
60 HB1 ALA 8 HB1 ALA 8 1.344 -0.035 7.740
61 HB2 ALA 8 HB2 ALA 8 0.284 1.295 8.204
62 HB3 ALA 8 HB3 ALA 8 2.033 1.528 8.184
63 H CYS 9 H CYS 9 1.143 0.340 4.044
64 HA CYS 9 HA CYS 9 -1.737 0.034 3.853
65 HB2 CYS 9 HB3 CYS 9 -1.117 -0.767 1.575
66 HB3 CYS 9 HB2 CYS 9 -0.771 0.916 1.892
67 H ASN 10 H ASN 10 -2.093 -2.084 2.385
68 HA ASN 10 HA ASN 10 -1.032 -4.321 3.910
69 HB2 ASN 10 HB3 ASN 10 -3.669 -3.824 2.573
70 HB3 ASN 10 HB2 ASN 10 -3.113 -5.437 2.954
71 HD21 ASN 10 HD21 ASN 10 -4.688 -5.879 4.456
72 HD22 ASN 10 HD22 ASN 10 -4.849 -5.050 5.959
73 HA PRO 11 HA PRO 11 1.149 -4.871 -0.078
74 HB2 PRO 11 HB3 PRO 11 1.657 -7.388 1.446
75 HB3 PRO 11 HB2 PRO 11 2.765 -6.438 0.450
76 HG2 PRO 11 HG3 PRO 11 2.899 -6.203 3.061
77 HG3 PRO 11 HG2 PRO 11 2.937 -4.736 2.062
78 HD2 PRO 11 HD3 PRO 11 0.698 -5.865 3.680
79 HD3 PRO 11 HD2 PRO 11 1.159 -4.169 3.425
80 H SER 12 H SER 12 -0.868 -7.271 1.509
81 HA SER 12 HA SER 12 -1.277 -8.729 -0.962
82 HB2 SER 12 HB3 SER 12 -1.012 -9.950 1.178
83 HB3 SER 12 HB2 SER 12 -2.493 -9.194 1.765
84 HG SER 12 HG SER 12 -3.343 -10.164 -0.336
85 H ASN 13 H ASN 13 -2.611 -5.921 0.120
86 HA ASN 13 HA ASN 13 -4.906 -6.308 -1.536
87 HB2 ASN 13 HB3 ASN 13 -5.816 -6.991 0.679
88 HB3 ASN 13 HB2 ASN 13 -5.276 -5.463 1.364
89 HD21 ASN 13 HD21 ASN 13 -7.361 -4.910 1.957
90 HD22 ASN 13 HD22 ASN 13 -8.550 -4.392 0.837
91 H ASP 14 H ASP 14 -3.518 -5.005 -2.676
92 HA ASP 14 HA ASP 14 -2.663 -2.525 -1.673
93 HB2 ASP 14 HB3 ASP 14 -1.274 -3.451 -3.308
94 HB3 ASP 14 HB2 ASP 14 -2.646 -3.728 -4.393
95 H GLN 15 H GLN 15 -3.909 -0.909 -1.395
96 HA GLN 15 HA GLN 15 -5.654 -0.185 -3.569
97 HB2 GLN 15 HB3 GLN 15 -7.360 0.730 -2.033
98 HB3 GLN 15 HB2 GLN 15 -7.141 -1.007 -1.894
99 HG2 GLN 15 HG3 GLN 15 -5.925 -0.710 0.188
100 HG3 GLN 15 HG2 GLN 15 -6.081 1.043 0.047
101 HE21 GLN 15 HE21 GLN 15 -8.816 0.816 -1.005
102 HE22 GLN 15 HE22 GLN 15 -9.817 0.411 0.329
103 H CYS 16 H CYS 16 -4.384 1.240 -0.572
104 HA CYS 16 HA CYS 16 -3.501 3.244 -0.101
105 HB2 CYS 16 HB3 CYS 16 -1.630 2.016 -1.200
106 HB3 CYS 16 HB2 CYS 16 -2.036 2.798 -2.731
107 H CYS 17 H CYS 17 -2.552 5.292 -1.953
108 HA CYS 17 HA CYS 17 -5.165 6.447 -2.582
109 HB2 CYS 17 HB3 CYS 17 -3.163 7.714 -1.371
110 HB3 CYS 17 HB2 CYS 17 -2.646 7.870 -3.046
111 H LYS 18 H LYS 18 -5.794 5.803 -4.421
112 HA LYS 18 HA LYS 18 -4.032 5.235 -6.622
113 HB2 LYS 18 HB3 LYS 18 -7.044 5.389 -6.563
114 HB3 LYS 18 HB2 LYS 18 -6.079 4.744 -7.885
115 HG2 LYS 18 HG3 LYS 18 -5.242 2.983 -6.443
116 HG3 LYS 18 HG2 LYS 18 -6.163 3.631 -5.088
117 HD2 LYS 18 HD3 LYS 18 -8.231 3.258 -6.361
118 HD3 LYS 18 HD2 LYS 18 -7.279 2.538 -7.660
119 HE2 LYS 18 HE3 LYS 18 -7.434 1.551 -4.819
120 HE3 LYS 18 HE2 LYS 18 -8.249 0.835 -6.207
121 HZ1 LYS 18 HZ1 LYS 18 -6.261 -0.370 -5.686
122 HZ2 LYS 18 HZ2 LYS 18 -5.298 1.006 -5.813
123 HZ3 LYS 18 HZ3 LYS 18 -6.072 0.376 -7.178
124 H SER 19 H SER 19 -5.909 7.850 -5.519
125 HA SER 19 HA SER 19 -5.928 9.332 -7.922
126 HB2 SER 19 HB3 SER 19 -6.219 10.290 -5.071
127 HB3 SER 19 HB2 SER 19 -6.670 11.196 -6.518
128 HG SER 19 HG SER 19 -8.263 9.798 -5.231
129 H SER 20 H SER 20 -3.491 8.823 -5.435
130 HA SER 20 HA SER 20 -1.925 11.008 -6.591
131 HB2 SER 20 HB3 SER 20 -1.432 9.381 -4.117
132 HB3 SER 20 HB2 SER 20 -0.520 10.801 -4.654
133 HG SER 20 HG SER 20 -3.092 11.478 -4.565
134 H LYS 21 H LYS 21 -2.576 7.970 -7.175
135 HA LYS 21 HA LYS 21 -1.736 6.343 -8.333
136 HB2 LYS 21 HB3 LYS 21 0.527 8.242 -8.943
137 HB3 LYS 21 HB2 LYS 21 0.142 6.786 -9.856
138 HG2 LYS 21 HG3 LYS 21 -1.623 9.178 -9.515
139 HG3 LYS 21 HG2 LYS 21 -0.642 8.850 -10.951
140 HD2 LYS 21 HD3 LYS 21 -1.923 6.748 -11.293
141 HD3 LYS 21 HD2 LYS 21 -2.911 7.147 -9.889
142 HE2 LYS 21 HE3 LYS 21 -4.090 7.753 -11.910
143 HE3 LYS 21 HE2 LYS 21 -3.650 9.200 -11.008
144 HZ1 LYS 21 HZ1 LYS 21 -3.238 9.490 -13.350
145 HZ2 LYS 21 HZ2 LYS 21 -2.252 8.141 -13.404
146 HZ3 LYS 21 HZ3 LYS 21 -1.769 9.504 -12.534
147 H LEU 22 H LEU 22 -1.177 6.151 -5.568
148 HA LEU 22 HA LEU 22 1.544 5.314 -5.356
149 HB2 LEU 22 HB3 LEU 22 -0.571 5.844 -3.312
150 HB3 LEU 22 HB2 LEU 22 1.106 5.495 -3.038
151 HG LEU 22 HG LEU 22 0.071 8.021 -4.325
152 HD11 LEU 22 HD11 LEU 22 -0.470 7.919 -1.958
153 HD12 LEU 22 HD12 LEU 22 0.784 9.119 -2.262
154 HD13 LEU 22 HD13 LEU 22 1.212 7.552 -1.577
155 HD21 LEU 22 HD21 LEU 22 2.291 7.424 -5.139
156 HD22 LEU 22 HD22 LEU 22 2.858 7.264 -3.473
157 HD23 LEU 22 HD23 LEU 22 2.345 8.839 -4.086
158 H VAL 23 H VAL 23 1.815 3.279 -4.932
159 HA VAL 23 HA VAL 23 -0.509 1.520 -4.529
160 HB VAL 23 HB VAL 23 0.676 -0.282 -5.667
161 HG11 VAL 23 HG11 VAL 23 -0.769 1.117 -6.996
162 HG12 VAL 23 HG12 VAL 23 0.593 0.543 -7.962
163 HG13 VAL 23 HG13 VAL 23 0.571 2.202 -7.357
164 HG21 VAL 23 HG21 VAL 23 2.828 1.745 -6.228
165 HG22 VAL 23 HG22 VAL 23 2.744 0.131 -6.930
166 HG23 VAL 23 HG23 VAL 23 2.951 0.330 -5.184
167 H CYS 24 H CYS 24 0.045 -0.442 -3.323
168 HA CYS 24 HA CYS 24 1.628 0.274 -1.055
169 HB2 CYS 24 HB3 CYS 24 -0.490 -0.951 -0.842
170 HB3 CYS 24 HB2 CYS 24 0.243 -2.331 -1.659
171 H SER 25 H SER 25 3.537 -0.487 -0.398
172 HA SER 25 HA SER 25 5.088 -1.981 -2.220
173 HB2 SER 25 HB3 SER 25 6.133 -0.024 -1.228
174 HB3 SER 25 HB2 SER 25 5.822 -0.648 0.393
175 HG SER 25 HG SER 25 7.934 -1.029 -1.103
176 H ARG 26 H ARG 26 5.848 -3.902 -1.789
177 HA ARG 26 HA ARG 26 4.703 -5.489 0.412
178 HB2 ARG 26 HB3 ARG 26 4.126 -6.001 -2.018
179 HB3 ARG 26 HB2 ARG 26 5.843 -6.329 -2.209
180 HG2 ARG 26 HG3 ARG 26 4.140 -7.895 -0.275
181 HG3 ARG 26 HG2 ARG 26 4.275 -8.367 -1.969
182 HD2 ARG 26 HD3 ARG 26 6.471 -8.195 0.095
183 HD3 ARG 26 HD2 ARG 26 5.837 -9.658 -0.664
184 HE ARG 26 HE ARG 26 6.659 -8.357 -2.787
185 HH11 ARG 26 HH11 ARG 26 8.367 -8.812 0.272
186 HH12 ARG 26 HH12 ARG 26 9.917 -8.716 -0.436
187 HH21 ARG 26 HH21 ARG 26 8.759 -8.152 -3.719
188 HH22 ARG 26 HH22 ARG 26 10.152 -8.308 -2.763
189 H LYS 27 H LYS 27 7.428 -4.287 -1.295
190 HA LYS 27 HA LYS 27 9.479 -5.938 -0.347
191 HB2 LYS 27 HB3 LYS 27 9.535 -3.016 -1.138
192 HB3 LYS 27 HB2 LYS 27 10.964 -4.002 -0.882
193 HG2 LYS 27 HG3 LYS 27 10.334 -5.432 -2.754
194 HG3 LYS 27 HG2 LYS 27 8.867 -4.486 -3.000
195 HD2 LYS 27 HD3 LYS 27 10.253 -2.491 -3.428
196 HD3 LYS 27 HD2 LYS 27 11.704 -3.465 -3.222
197 HE2 LYS 27 HE3 LYS 27 9.586 -3.851 -5.337
198 HE3 LYS 27 HE2 LYS 27 11.162 -3.112 -5.589
199 HZ1 LYS 27 HZ1 LYS 27 10.618 -5.947 -4.865
200 HZ2 LYS 27 HZ2 LYS 27 12.158 -5.272 -4.939
201 HZ3 LYS 27 HZ3 LYS 27 11.224 -5.373 -6.322
202 H THR 28 H THR 28 7.557 -3.547 1.086
203 HA THR 28 HA THR 28 8.681 -4.216 3.637
204 HB THR 28 HB THR 28 8.533 -1.286 2.930
205 HG1 THR 28 HG1 THR 28 10.473 -3.127 2.579
206 HG21 THR 28 HG21 THR 28 9.670 -0.951 5.098
207 HG22 THR 28 HG22 THR 28 9.627 -2.691 5.381
208 HG23 THR 28 HG23 THR 28 8.123 -1.773 5.308
209 H ARG 29 H ARG 29 6.818 -1.354 3.192
210 HA ARG 29 HA ARG 29 4.231 -2.148 3.153
211 HB2 ARG 29 HB3 ARG 29 4.853 -3.357 5.271
212 HB3 ARG 29 HB2 ARG 29 5.167 -1.787 5.983
213 HG2 ARG 29 HG3 ARG 29 2.865 -1.133 5.563
214 HG3 ARG 29 HG2 ARG 29 2.535 -2.749 4.918
215 HD2 ARG 29 HD3 ARG 29 3.297 -3.702 7.043
216 HD3 ARG 29 HD2 ARG 29 3.501 -2.063 7.653
217 HE ARG 29 HE ARG 29 0.853 -2.528 6.705
218 HH11 ARG 29 HH11 ARG 29 2.988 -3.100 9.492
219 HH12 ARG 29 HH12 ARG 29 1.728 -3.220 10.627
220 HH21 ARG 29 HH21 ARG 29 -0.906 -2.665 8.312
221 HH22 ARG 29 HH22 ARG 29 -0.514 -2.921 9.948
222 H TRP 30 H TRP 30 4.456 -0.186 2.012
223 HA TRP 30 HA TRP 30 3.426 2.058 3.249
224 HB2 TRP 30 HB3 TRP 30 5.220 3.682 2.689
225 HB3 TRP 30 HB2 TRP 30 5.622 2.707 4.071
226 HD1 TRP 30 HD1 TRP 30 6.338 2.517 0.235
227 HE1 TRP 30 HE1 TRP 30 8.836 2.003 -0.092
228 HE3 TRP 30 HE3 TRP 30 7.725 2.183 5.140
229 HZ2 TRP 30 HZ2 TRP 30 11.107 1.520 1.534
230 HZ3 TRP 30 HZ3 TRP 30 10.078 1.702 5.673
231 HH2 TRP 30 HH2 TRP 30 11.731 1.379 3.903
232 H CYS 31 H CYS 31 3.623 3.863 1.532
233 HA CYS 31 HA CYS 31 2.791 2.374 -0.731
234 HB2 CYS 31 HB3 CYS 31 2.190 5.064 0.334
235 HB3 CYS 31 HB2 CYS 31 1.887 4.699 -1.361
236 H LYS 32 H LYS 32 3.570 2.683 -2.700
237 HA LYS 32 HA LYS 32 6.272 3.669 -2.864
238 HB2 LYS 32 HB3 LYS 32 4.524 2.354 -4.945
239 HB3 LYS 32 HB2 LYS 32 6.232 2.736 -5.111
240 HG2 LYS 32 HG3 LYS 32 6.768 1.207 -3.353
241 HG3 LYS 32 HG2 LYS 32 5.065 0.854 -3.106
242 HD2 LYS 32 HD3 LYS 32 6.143 -0.925 -4.453
243 HD3 LYS 32 HD2 LYS 32 4.910 -0.084 -5.383
244 HE2 LYS 32 HE3 LYS 32 6.690 1.282 -6.439
245 HE3 LYS 32 HE2 LYS 32 7.896 0.351 -5.549
246 HZ1 LYS 32 HZ1 LYS 32 5.990 -0.720 -7.569
247 HZ2 LYS 32 HZ2 LYS 32 7.125 -1.637 -6.712
248 HZ3 LYS 32 HZ3 LYS 32 7.638 -0.462 -7.785
249 H TRP 33 H TRP 33 6.780 5.451 -3.798
250 HA TRP 33 HA TRP 33 4.722 7.303 -4.508
251 HB2 TRP 33 HB3 TRP 33 6.959 7.845 -3.347
252 HB3 TRP 33 HB2 TRP 33 7.682 7.706 -4.943
253 HD1 TRP 33 HD1 TRP 33 4.251 9.329 -4.550
254 HE1 TRP 33 HE1 TRP 33 4.414 11.794 -5.097
255 HE3 TRP 33 HE3 TRP 33 9.336 9.714 -4.917
256 HZ2 TRP 33 HZ2 TRP 33 6.429 13.708 -5.575
257 HZ3 TRP 33 HZ3 TRP 33 10.298 11.928 -5.411
258 HH2 TRP 33 HH2 TRP 33 8.864 13.879 -5.736
259 H GLN 34 H GLN 34 4.305 8.130 -6.568
260 HA GLN 34 HA GLN 34 4.504 6.274 -8.661
261 HB2 GLN 34 HB3 GLN 34 3.549 8.057 -10.093
262 HB3 GLN 34 HB2 GLN 34 2.663 7.829 -8.594
263 HG2 GLN 34 HG3 GLN 34 3.673 9.806 -7.648
264 HG3 GLN 34 HG2 GLN 34 4.693 9.980 -9.077
265 HE21 GLN 34 HE21 GLN 34 1.480 10.303 -7.805
266 HE22 GLN 34 HE22 GLN 34 0.855 11.216 -9.118
267 H ILE 35 H ILE 35 6.481 8.982 -7.763
268 HA ILE 35 HA ILE 35 8.119 8.712 -10.146
269 HB ILE 35 HB ILE 35 8.437 10.599 -7.777
270 HG12 ILE 35 HG12 ILE 35 7.259 11.142 -10.519
271 HG13 ILE 35 HG11 ILE 35 6.348 10.998 -9.021
272 HG21 ILE 35 HG21 ILE 35 10.532 10.218 -8.969
273 HG22 ILE 35 HG22 ILE 35 9.941 11.853 -9.273
274 HG23 ILE 35 HG23 ILE 35 9.750 10.605 -10.503
275 HD11 ILE 35 HD11 ILE 35 7.438 12.973 -8.142
276 HD12 ILE 35 HD12 ILE 35 6.659 13.319 -9.690
277 HD13 ILE 35 HD13 ILE 35 8.407 13.100 -9.607
278 HN1 NH2 36 HN1 NH2 36 9.196 6.859 -9.929
279 HN2 NH2 36 HN2 NH2 36 10.165 6.385 -8.584
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 -10.586 6.836 -1.430
2 H2 GLY 1 H2 GLY 1 -10.280 8.384 -2.018
3 H3 GLY 1 H3 GLY 1 -11.543 8.138 -0.901
4 HA2 GLY 1 HA2 GLY 1 -9.631 9.125 0.136
5 HA3 GLY 1 HA3 GLY 1 -9.947 7.505 0.756
6 H CYS 2 H CYS 2 -7.488 8.594 1.049
7 HA CYS 2 HA CYS 2 -5.899 6.811 -0.598
8 HB2 CYS 2 HB3 CYS 2 -5.211 9.719 -0.150
9 HB3 CYS 2 HB2 CYS 2 -4.160 8.538 -0.852
10 H LEU 3 H LEU 3 -3.626 6.830 0.334
11 HA LEU 3 HA LEU 3 -3.736 6.968 3.248
12 HB2 LEU 3 HB3 LEU 3 -2.298 5.048 1.420
13 HB3 LEU 3 HB2 LEU 3 -1.991 5.177 3.135
14 HG LEU 3 HG LEU 3 -4.597 4.313 1.874
15 HD11 LEU 3 HD11 LEU 3 -2.818 2.651 1.629
16 HD12 LEU 3 HD12 LEU 3 -4.047 2.113 2.773
17 HD13 LEU 3 HD13 LEU 3 -2.507 2.736 3.364
18 HD21 LEU 3 HD21 LEU 3 -5.253 3.723 4.170
19 HD22 LEU 3 HD22 LEU 3 -4.979 5.452 3.994
20 HD23 LEU 3 HD23 LEU 3 -3.761 4.441 4.774
21 H GLY 4 H GLY 4 -1.181 6.710 3.761
22 HA2 GLY 4 HA3 GLY 4 -0.013 9.109 2.507
23 HA3 GLY 4 HA2 GLY 4 0.305 8.586 4.166
24 H ILE 5 H ILE 5 2.257 9.124 2.349
25 HA ILE 5 HA ILE 5 3.040 6.811 0.984
26 HB ILE 5 HB ILE 5 3.696 8.874 0.028
27 HG12 ILE 5 HG13 ILE 5 6.040 7.633 1.362
28 HG13 ILE 5 HG12 ILE 5 5.306 7.130 -0.164
29 HG21 ILE 5 HG21 ILE 5 5.101 10.541 1.127
30 HG22 ILE 5 HG22 ILE 5 5.007 9.630 2.635
31 HG23 ILE 5 HG23 ILE 5 3.549 10.343 1.936
32 HD11 ILE 5 HD11 ILE 5 7.380 8.374 -0.568
33 HD12 ILE 5 HD12 ILE 5 6.747 9.735 0.355
34 HD13 ILE 5 HD13 ILE 5 5.990 9.279 -1.172
35 H TRP 6 H TRP 6 3.652 8.026 4.068
36 HA TRP 6 HA TRP 6 5.785 6.189 4.493
37 HB2 TRP 6 HB3 TRP 6 4.490 8.163 6.315
38 HB3 TRP 6 HB2 TRP 6 5.899 7.188 6.739
39 HD1 TRP 6 HD1 TRP 6 5.013 10.433 5.292
40 HE1 TRP 6 HE1 TRP 6 7.063 11.553 4.186
41 HE3 TRP 6 HE3 TRP 6 8.116 6.422 5.204
42 HZ2 TRP 6 HZ2 TRP 6 9.679 10.784 3.391
43 HZ3 TRP 6 HZ3 TRP 6 10.346 6.662 4.259
44 HH2 TRP 6 HH2 TRP 6 11.123 8.812 3.364
45 H LYS 7 H LYS 7 2.586 5.662 4.318
46 HA LYS 7 HA LYS 7 2.274 4.509 6.936
47 HB2 LYS 7 HB3 LYS 7 0.313 5.136 4.777
48 HB3 LYS 7 HB2 LYS 7 -0.077 4.368 6.298
49 HG2 LYS 7 HG3 LYS 7 0.776 6.348 7.510
50 HG3 LYS 7 HG2 LYS 7 1.093 7.125 5.964
51 HD2 LYS 7 HD3 LYS 7 -1.332 7.000 5.453
52 HD3 LYS 7 HD2 LYS 7 -1.600 6.303 7.053
53 HE2 LYS 7 HE3 LYS 7 -0.670 8.300 8.088
54 HE3 LYS 7 HE2 LYS 7 -0.367 8.994 6.499
55 HZ1 LYS 7 HZ1 LYS 7 -2.760 9.005 6.102
56 HZ2 LYS 7 HZ2 LYS 7 -2.346 9.875 7.481
57 HZ3 LYS 7 HZ3 LYS 7 -3.025 8.344 7.637
58 H ALA 8 H ALA 8 1.878 2.504 7.264
59 HA ALA 8 HA ALA 8 2.771 0.628 5.252
60 HB1 ALA 8 HB1 ALA 8 3.644 0.463 7.530
61 HB2 ALA 8 HB2 ALA 8 2.765 -0.998 7.079
62 HB3 ALA 8 HB3 ALA 8 2.012 0.192 8.139
63 H CYS 9 H CYS 9 1.360 -0.114 3.900
64 HA CYS 9 HA CYS 9 -1.427 -0.472 4.675
65 HB2 CYS 9 HB3 CYS 9 -1.584 -0.718 2.124
66 HB3 CYS 9 HB2 CYS 9 -1.410 0.883 2.806
67 H ASN 10 H ASN 10 -2.284 -2.293 2.851
68 HA ASN 10 HA ASN 10 -0.715 -4.628 3.566
69 HB2 ASN 10 HB3 ASN 10 -3.631 -4.235 3.007
70 HB3 ASN 10 HB2 ASN 10 -2.869 -5.807 3.036
71 HD21 ASN 10 HD21 ASN 10 -5.013 -5.031 4.641
72 HD22 ASN 10 HD22 ASN 10 -4.504 -5.010 6.289
73 HA PRO 11 HA PRO 11 0.137 -4.549 -0.920
74 HB2 PRO 11 HB3 PRO 11 1.155 -7.222 -0.082
75 HB3 PRO 11 HB2 PRO 11 1.925 -6.003 -1.097
76 HG2 PRO 11 HG3 PRO 11 2.743 -6.316 1.385
77 HG3 PRO 11 HG2 PRO 11 2.520 -4.679 0.737
78 HD2 PRO 11 HD3 PRO 11 0.767 -6.254 2.560
79 HD3 PRO 11 HD2 PRO 11 1.194 -4.528 2.623
80 H SER 12 H SER 12 -1.160 -7.144 0.974
81 HA SER 12 HA SER 12 -2.287 -8.700 -1.110
82 HB2 SER 12 HB3 SER 12 -1.774 -9.501 1.198
83 HB3 SER 12 HB2 SER 12 -3.124 -8.542 1.789
84 HG SER 12 HG SER 12 -3.083 -10.915 0.359
85 H ASN 13 H ASN 13 -3.300 -5.779 0.431
86 HA ASN 13 HA ASN 13 -5.935 -5.948 -0.864
87 HB2 ASN 13 HB3 ASN 13 -5.376 -4.739 1.876
88 HB3 ASN 13 HB2 ASN 13 -6.923 -4.743 1.048
89 HD21 ASN 13 HD21 ASN 13 -8.108 -6.702 0.948
90 HD22 ASN 13 HD22 ASN 13 -7.744 -8.011 2.005
91 H ASP 14 H ASP 14 -3.616 -4.966 -1.921
92 HA ASP 14 HA ASP 14 -2.816 -2.438 -1.337
93 HB2 ASP 14 HB3 ASP 14 -1.489 -3.609 -2.899
94 HB3 ASP 14 HB2 ASP 14 -2.861 -3.907 -3.962
95 H GLN 15 H GLN 15 -3.715 -0.579 -1.421
96 HA GLN 15 HA GLN 15 -5.754 0.051 -3.387
97 HB2 GLN 15 HB3 GLN 15 -6.965 -0.702 -1.383
98 HB3 GLN 15 HB2 GLN 15 -6.088 0.460 -0.410
99 HG2 GLN 15 HG3 GLN 15 -7.100 2.273 -1.632
100 HG3 GLN 15 HG2 GLN 15 -8.000 1.132 -2.634
101 HE21 GLN 15 HE21 GLN 15 -10.013 1.877 -1.921
102 HE22 GLN 15 HE22 GLN 15 -10.590 1.576 -0.329
103 H CYS 16 H CYS 16 -4.632 1.674 -0.444
104 HA CYS 16 HA CYS 16 -3.700 3.701 -0.083
105 HB2 CYS 16 HB3 CYS 16 -1.795 2.305 -0.954
106 HB3 CYS 16 HB2 CYS 16 -2.091 3.005 -2.543
107 H CYS 17 H CYS 17 -2.561 5.316 -2.424
108 HA CYS 17 HA CYS 17 -5.104 6.651 -2.968
109 HB2 CYS 17 HB3 CYS 17 -2.920 7.819 -2.123
110 HB3 CYS 17 HB2 CYS 17 -2.475 7.617 -3.811
111 H LYS 18 H LYS 18 -6.030 5.966 -4.729
112 HA LYS 18 HA LYS 18 -4.593 5.015 -7.058
113 HB2 LYS 18 HB3 LYS 18 -7.511 5.681 -6.650
114 HB3 LYS 18 HB2 LYS 18 -6.850 5.051 -8.146
115 HG2 LYS 18 HG3 LYS 18 -6.255 2.997 -7.085
116 HG3 LYS 18 HG2 LYS 18 -6.736 3.621 -5.503
117 HD2 LYS 18 HD3 LYS 18 -9.038 3.846 -6.284
118 HD3 LYS 18 HD2 LYS 18 -8.563 3.271 -7.881
119 HE2 LYS 18 HE3 LYS 18 -9.642 1.535 -6.495
120 HE3 LYS 18 HE2 LYS 18 -8.003 1.110 -6.982
121 HZ1 LYS 18 HZ1 LYS 18 -7.205 1.622 -4.871
122 HZ2 LYS 18 HZ2 LYS 18 -8.588 0.653 -4.633
123 HZ3 LYS 18 HZ3 LYS 18 -8.666 2.329 -4.381
124 H SER 19 H SER 19 -6.037 7.866 -5.907
125 HA SER 19 HA SER 19 -6.251 9.401 -8.226
126 HB2 SER 19 HB3 SER 19 -5.751 10.384 -5.418
127 HB3 SER 19 HB2 SER 19 -6.584 11.234 -6.722
128 HG SER 19 HG SER 19 -8.331 10.171 -6.306
129 H SER 20 H SER 20 -3.484 8.703 -6.151
130 HA SER 20 HA SER 20 -1.893 10.635 -7.695
131 HB2 SER 20 HB3 SER 20 -2.104 11.148 -5.319
132 HB3 SER 20 HB2 SER 20 -1.457 9.536 -4.960
133 HG SER 20 HG SER 20 0.355 10.475 -6.449
134 H LYS 21 H LYS 21 -2.656 7.543 -7.633
135 HA LYS 21 HA LYS 21 -1.820 5.674 -8.475
136 HB2 LYS 21 HB3 LYS 21 0.455 7.407 -9.398
137 HB3 LYS 21 HB2 LYS 21 0.036 5.820 -10.034
138 HG2 LYS 21 HG3 LYS 21 -1.704 8.220 -10.066
139 HG3 LYS 21 HG2 LYS 21 -0.717 7.739 -11.461
140 HD2 LYS 21 HD3 LYS 21 -3.018 6.207 -10.191
141 HD3 LYS 21 HD2 LYS 21 -3.034 6.982 -11.767
142 HE2 LYS 21 HE3 LYS 21 -1.333 4.605 -10.966
143 HE3 LYS 21 HE2 LYS 21 -2.776 4.555 -11.962
144 HZ1 LYS 21 HZ1 LYS 21 -1.588 5.951 -13.606
145 HZ2 LYS 21 HZ2 LYS 21 -0.893 4.462 -13.360
146 HZ3 LYS 21 HZ3 LYS 21 -0.171 5.821 -12.684
147 H LEU 22 H LEU 22 -1.238 6.095 -5.729
148 HA LEU 22 HA LEU 22 1.506 5.348 -5.406
149 HB2 LEU 22 HB3 LEU 22 -0.652 5.897 -3.416
150 HB3 LEU 22 HB2 LEU 22 1.055 5.763 -3.114
151 HG LEU 22 HG LEU 22 -0.332 8.013 -4.555
152 HD11 LEU 22 HD11 LEU 22 1.075 7.947 -1.893
153 HD12 LEU 22 HD12 LEU 22 -0.664 8.066 -2.156
154 HD13 LEU 22 HD13 LEU 22 0.395 9.382 -2.660
155 HD21 LEU 22 HD21 LEU 22 2.608 7.691 -3.946
156 HD22 LEU 22 HD22 LEU 22 1.852 9.142 -4.606
157 HD23 LEU 22 HD23 LEU 22 1.865 7.650 -5.545
158 H VAL 23 H VAL 23 1.834 3.418 -5.093
159 HA VAL 23 HA VAL 23 -0.322 1.404 -4.760
160 HB VAL 23 HB VAL 23 2.465 0.962 -5.832
161 HG11 VAL 23 HG11 VAL 23 1.541 -1.082 -5.012
162 HG12 VAL 23 HG12 VAL 23 1.544 -1.146 -6.776
163 HG13 VAL 23 HG13 VAL 23 0.047 -0.822 -5.902
164 HG21 VAL 23 HG21 VAL 23 1.466 0.867 -8.091
165 HG22 VAL 23 HG22 VAL 23 1.317 2.458 -7.342
166 HG23 VAL 23 HG23 VAL 23 -0.075 1.377 -7.398
167 H CYS 24 H CYS 24 0.136 -0.378 -3.350
168 HA CYS 24 HA CYS 24 1.667 0.431 -1.062
169 HB2 CYS 24 HB3 CYS 24 -0.583 -0.650 -0.941
170 HB3 CYS 24 HB2 CYS 24 0.169 -2.144 -1.500
171 H SER 25 H SER 25 3.558 -0.307 -0.487
172 HA SER 25 HA SER 25 5.008 -2.043 -2.178
173 HB2 SER 25 HB3 SER 25 6.185 -0.104 -1.404
174 HB3 SER 25 HB2 SER 25 5.782 -0.457 0.274
175 HG SER 25 HG SER 25 7.790 -1.405 -1.304
176 H ARG 26 H ARG 26 5.978 -3.909 -1.431
177 HA ARG 26 HA ARG 26 4.719 -5.259 0.886
178 HB2 ARG 26 HB3 ARG 26 4.445 -6.155 -1.476
179 HB3 ARG 26 HB2 ARG 26 6.198 -6.376 -1.410
180 HG2 ARG 26 HG3 ARG 26 5.913 -7.889 0.529
181 HG3 ARG 26 HG2 ARG 26 4.162 -7.764 0.334
182 HD2 ARG 26 HD3 ARG 26 4.953 -9.780 -0.737
183 HD3 ARG 26 HD2 ARG 26 4.395 -8.638 -1.964
184 HE ARG 26 HE ARG 26 7.181 -8.453 -1.354
185 HH11 ARG 26 HH11 ARG 26 4.847 -10.180 -3.374
186 HH12 ARG 26 HH12 ARG 26 5.982 -10.509 -4.615
187 HH21 ARG 26 HH21 ARG 26 8.731 -8.939 -3.058
188 HH22 ARG 26 HH22 ARG 26 8.204 -9.817 -4.407
189 H LYS 27 H LYS 27 7.598 -4.677 -1.014
190 HA LYS 27 HA LYS 27 9.470 -6.111 0.503
191 HB2 LYS 27 HB3 LYS 27 9.907 -3.694 -1.243
192 HB3 LYS 27 HB2 LYS 27 11.152 -4.806 -0.697
193 HG2 LYS 27 HG3 LYS 27 10.056 -6.615 -1.967
194 HG3 LYS 27 HG2 LYS 27 8.867 -5.456 -2.556
195 HD2 LYS 27 HD3 LYS 27 11.853 -5.313 -3.033
196 HD3 LYS 27 HD2 LYS 27 10.658 -5.862 -4.202
197 HE2 LYS 27 HE3 LYS 27 9.613 -3.633 -4.160
198 HE3 LYS 27 HE2 LYS 27 10.830 -3.097 -3.002
199 HZ1 LYS 27 HZ1 LYS 27 11.378 -4.015 -5.775
200 HZ2 LYS 27 HZ2 LYS 27 12.534 -3.516 -4.672
201 HZ3 LYS 27 HZ3 LYS 27 11.402 -2.423 -5.242
202 H THR 28 H THR 28 8.267 -2.888 0.674
203 HA THR 28 HA THR 28 9.927 -2.493 3.102
204 HB THR 28 HB THR 28 8.908 -0.228 1.431
205 HG1 THR 28 HG1 THR 28 11.162 -1.908 1.143
206 HG21 THR 28 HG21 THR 28 9.711 0.283 3.700
207 HG22 THR 28 HG22 THR 28 10.794 0.964 2.486
208 HG23 THR 28 HG23 THR 28 11.243 -0.513 3.338
209 H ARG 29 H ARG 29 6.827 -2.400 1.714
210 HA ARG 29 HA ARG 29 4.771 -2.085 2.358
211 HB2 ARG 29 HB3 ARG 29 5.416 -3.792 4.031
212 HB3 ARG 29 HB2 ARG 29 5.726 -2.496 5.181
213 HG2 ARG 29 HG3 ARG 29 3.372 -1.793 4.954
214 HG3 ARG 29 HG2 ARG 29 3.094 -3.183 3.902
215 HD2 ARG 29 HD3 ARG 29 3.919 -4.628 5.726
216 HD3 ARG 29 HD2 ARG 29 3.971 -3.199 6.757
217 HE ARG 29 HE ARG 29 1.459 -3.900 5.451
218 HH11 ARG 29 HH11 ARG 29 3.265 -3.492 8.463
219 HH12 ARG 29 HH12 ARG 29 1.927 -3.800 9.466
220 HH21 ARG 29 HH21 ARG 29 -0.370 -4.367 6.829
221 HH22 ARG 29 HH22 ARG 29 -0.191 -4.303 8.529
222 H TRP 30 H TRP 30 4.618 -0.100 1.667
223 HA TRP 30 HA TRP 30 3.508 1.827 3.302
224 HB2 TRP 30 HB3 TRP 30 5.066 3.683 2.893
225 HB3 TRP 30 HB2 TRP 30 5.746 2.522 3.991
226 HD1 TRP 30 HD1 TRP 30 6.038 1.948 0.178
227 HE1 TRP 30 HE1 TRP 30 8.501 2.298 -0.534
228 HE3 TRP 30 HE3 TRP 30 7.923 3.726 4.580
229 HZ2 TRP 30 HZ2 TRP 30 10.889 3.207 0.614
230 HZ3 TRP 30 HZ3 TRP 30 10.306 4.317 4.684
231 HH2 TRP 30 HH2 TRP 30 11.752 4.064 2.738
232 H CYS 31 H CYS 31 3.427 3.865 1.852
233 HA CYS 31 HA CYS 31 2.442 2.704 -0.537
234 HB2 CYS 31 HB3 CYS 31 2.020 5.203 0.953
235 HB3 CYS 31 HB2 CYS 31 1.693 5.251 -0.784
236 H LYS 32 H LYS 32 3.319 3.164 -2.530
237 HA LYS 32 HA LYS 32 6.055 4.097 -2.461
238 HB2 LYS 32 HB3 LYS 32 4.420 3.124 -4.805
239 HB3 LYS 32 HB2 LYS 32 6.151 3.405 -4.794
240 HG2 LYS 32 HG3 LYS 32 6.404 1.598 -3.149
241 HG3 LYS 32 HG2 LYS 32 4.663 1.315 -3.245
242 HD2 LYS 32 HD3 LYS 32 4.890 0.904 -5.675
243 HD3 LYS 32 HD2 LYS 32 6.631 1.121 -5.531
244 HE2 LYS 32 HE3 LYS 32 6.676 -0.792 -3.945
245 HE3 LYS 32 HE2 LYS 32 4.958 -1.028 -4.252
246 HZ1 LYS 32 HZ1 LYS 32 5.479 -1.376 -6.601
247 HZ2 LYS 32 HZ2 LYS 32 6.254 -2.497 -5.632
248 HZ3 LYS 32 HZ3 LYS 32 7.125 -1.212 -6.276
249 H TRP 33 H TRP 33 6.807 5.752 -3.638
250 HA TRP 33 HA TRP 33 4.977 7.968 -3.815
251 HB2 TRP 33 HB3 TRP 33 7.258 8.014 -2.721
252 HB3 TRP 33 HB2 TRP 33 7.936 7.907 -4.336
253 HD1 TRP 33 HD1 TRP 33 4.905 10.147 -3.671
254 HE1 TRP 33 HE1 TRP 33 5.633 12.582 -3.929
255 HE3 TRP 33 HE3 TRP 33 9.938 9.453 -4.159
256 HZ2 TRP 33 HZ2 TRP 33 7.983 14.020 -4.245
257 HZ3 TRP 33 HZ3 TRP 33 11.368 11.432 -4.431
258 HH2 TRP 33 HH2 TRP 33 10.411 13.670 -4.475
259 H GLN 34 H GLN 34 4.602 9.162 -5.675
260 HA GLN 34 HA GLN 34 4.472 7.680 -8.054
261 HB2 GLN 34 HB3 GLN 34 3.541 9.714 -9.057
262 HB3 GLN 34 HB2 GLN 34 2.779 9.323 -7.526
263 HG2 GLN 34 HG3 GLN 34 4.128 11.054 -6.433
264 HG3 GLN 34 HG2 GLN 34 4.868 11.445 -7.984
265 HE21 GLN 34 HE21 GLN 34 4.091 13.534 -8.031
266 HE22 GLN 34 HE22 GLN 34 2.425 13.896 -8.254
267 H ILE 35 H ILE 35 6.811 9.956 -6.859
268 HA ILE 35 HA ILE 35 8.098 10.144 -9.450
269 HB ILE 35 HB ILE 35 9.013 11.270 -6.773
270 HG12 ILE 35 HG12 ILE 35 7.661 12.618 -9.126
271 HG13 ILE 35 HG11 ILE 35 6.942 12.318 -7.551
272 HG21 ILE 35 HG21 ILE 35 10.901 10.904 -8.268
273 HG22 ILE 35 HG22 ILE 35 10.585 12.632 -8.103
274 HG23 ILE 35 HG23 ILE 35 10.072 11.775 -9.558
275 HD11 ILE 35 HD11 ILE 35 8.560 13.854 -6.535
276 HD12 ILE 35 HD12 ILE 35 7.602 14.645 -7.784
277 HD13 ILE 35 HD13 ILE 35 9.262 14.154 -8.124
278 HN1 NH2 36 HN1 NH2 36 9.606 9.499 -6.324
279 HN2 NH2 36 HN2 NH2 36 10.468 8.092 -6.844
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 -11.140 9.000 1.694
2 H2 GLY 1 H2 GLY 1 -11.169 9.326 0.068
3 H3 GLY 1 H3 GLY 1 -11.569 10.559 1.174
4 HA2 GLY 1 HA2 GLY 1 -9.371 10.902 0.313
5 HA3 GLY 1 HA3 GLY 1 -9.290 10.473 2.022
6 H CYS 2 H CYS 2 -7.204 9.586 1.870
7 HA CYS 2 HA CYS 2 -7.132 6.902 1.034
8 HB2 CYS 2 HB3 CYS 2 -5.186 7.276 -0.524
9 HB3 CYS 2 HB2 CYS 2 -6.782 7.627 -1.153
10 H LEU 3 H LEU 3 -4.607 6.275 0.978
11 HA LEU 3 HA LEU 3 -3.541 7.059 3.535
12 HB2 LEU 3 HB3 LEU 3 -2.495 5.133 1.451
13 HB3 LEU 3 HB2 LEU 3 -1.812 5.361 3.040
14 HG LEU 3 HG LEU 3 -4.472 4.123 2.362
15 HD11 LEU 3 HD11 LEU 3 -3.498 2.138 3.384
16 HD12 LEU 3 HD12 LEU 3 -1.983 3.007 3.622
17 HD13 LEU 3 HD13 LEU 3 -2.570 2.688 1.989
18 HD21 LEU 3 HD21 LEU 3 -3.282 4.691 5.086
19 HD22 LEU 3 HD22 LEU 3 -4.731 3.735 4.778
20 HD23 LEU 3 HD23 LEU 3 -4.720 5.456 4.404
21 H GLY 4 H GLY 4 -0.963 6.901 3.147
22 HA2 GLY 4 HA3 GLY 4 -0.191 9.052 1.278
23 HA3 GLY 4 HA2 GLY 4 0.332 9.093 2.966
24 H ILE 5 H ILE 5 2.336 9.197 1.538
25 HA ILE 5 HA ILE 5 3.089 6.823 0.260
26 HB ILE 5 HB ILE 5 3.898 8.878 -0.655
27 HG12 ILE 5 HG13 ILE 5 6.110 7.446 0.720
28 HG13 ILE 5 HG12 ILE 5 5.339 6.966 -0.795
29 HG21 ILE 5 HG21 ILE 5 5.193 9.435 2.008
30 HG22 ILE 5 HG22 ILE 5 3.833 10.302 1.290
31 HG23 ILE 5 HG23 ILE 5 5.428 10.389 0.545
32 HD11 ILE 5 HD11 ILE 5 6.208 9.016 -1.871
33 HD12 ILE 5 HD12 ILE 5 7.524 8.037 -1.226
34 HD13 ILE 5 HD13 ILE 5 6.986 9.473 -0.356
35 H TRP 6 H TRP 6 3.737 8.092 3.337
36 HA TRP 6 HA TRP 6 5.628 6.017 3.856
37 HB2 TRP 6 HB3 TRP 6 4.635 8.265 5.521
38 HB3 TRP 6 HB2 TRP 6 5.841 7.104 6.082
39 HD1 TRP 6 HD1 TRP 6 5.602 10.363 4.458
40 HE1 TRP 6 HE1 TRP 6 7.859 11.043 3.363
41 HE3 TRP 6 HE3 TRP 6 7.937 5.847 4.606
42 HZ2 TRP 6 HZ2 TRP 6 10.294 9.781 2.661
43 HZ3 TRP 6 HZ3 TRP 6 10.188 5.638 3.716
44 HH2 TRP 6 HH2 TRP 6 11.363 7.573 2.755
45 H LYS 7 H LYS 7 2.531 5.755 3.615
46 HA LYS 7 HA LYS 7 1.871 4.905 6.300
47 HB2 LYS 7 HB3 LYS 7 0.277 5.343 3.848
48 HB3 LYS 7 HB2 LYS 7 -0.376 4.592 5.273
49 HG2 LYS 7 HG3 LYS 7 0.787 7.381 5.181
50 HG3 LYS 7 HG2 LYS 7 -0.937 7.002 5.166
51 HD2 LYS 7 HD3 LYS 7 -0.632 5.847 7.349
52 HD3 LYS 7 HD2 LYS 7 1.033 6.419 7.378
53 HE2 LYS 7 HE3 LYS 7 0.274 8.716 7.362
54 HE3 LYS 7 HE2 LYS 7 -1.408 8.186 7.254
55 HZ1 LYS 7 HZ1 LYS 7 0.464 7.754 9.518
56 HZ2 LYS 7 HZ2 LYS 7 -1.021 7.018 9.390
57 HZ3 LYS 7 HZ3 LYS 7 -0.951 8.695 9.523
58 H ALA 8 H ALA 8 1.440 2.978 6.840
59 HA ALA 8 HA ALA 8 2.496 0.844 5.259
60 HB1 ALA 8 HB1 ALA 8 1.991 -0.589 7.170
61 HB2 ALA 8 HB2 ALA 8 1.081 0.720 7.922
62 HB3 ALA 8 HB3 ALA 8 2.822 0.876 7.689
63 H CYS 9 H CYS 9 1.443 -0.068 3.766
64 HA CYS 9 HA CYS 9 -1.466 -0.197 3.790
65 HB2 CYS 9 HB3 CYS 9 -1.061 -0.854 1.409
66 HB3 CYS 9 HB2 CYS 9 -0.677 0.803 1.808
67 H ASN 10 H ASN 10 -1.930 -2.255 2.189
68 HA ASN 10 HA ASN 10 -0.708 -4.528 3.527
69 HB2 ASN 10 HB3 ASN 10 -3.512 -3.895 2.782
70 HB3 ASN 10 HB2 ASN 10 -2.988 -5.561 2.931
71 HD21 ASN 10 HD21 ASN 10 -2.393 -6.292 5.047
72 HD22 ASN 10 HD22 ASN 10 -2.897 -5.440 6.456
73 HA PRO 11 HA PRO 11 0.623 -5.339 -0.751
74 HB2 PRO 11 HB3 PRO 11 0.999 -7.951 0.652
75 HB3 PRO 11 HB2 PRO 11 2.071 -7.137 -0.492
76 HG2 PRO 11 HG3 PRO 11 2.657 -7.006 2.061
77 HG3 PRO 11 HG2 PRO 11 2.713 -5.518 1.097
78 HD2 PRO 11 HD3 PRO 11 0.615 -6.433 3.022
79 HD3 PRO 11 HD2 PRO 11 1.287 -4.809 2.768
80 H SER 12 H SER 12 -1.428 -7.414 1.189
81 HA SER 12 HA SER 12 -2.529 -8.754 -1.142
82 HB2 SER 12 HB3 SER 12 -2.058 -9.940 1.033
83 HB3 SER 12 HB2 SER 12 -3.374 -9.013 1.749
84 HG SER 12 HG SER 12 -4.689 -9.961 -0.016
85 H ASN 13 H ASN 13 -3.006 -5.767 -0.041
86 HA ASN 13 HA ASN 13 -5.658 -5.633 -1.132
87 HB2 ASN 13 HB3 ASN 13 -6.051 -5.906 1.353
88 HB3 ASN 13 HB2 ASN 13 -5.069 -4.477 1.615
89 HD21 ASN 13 HD21 ASN 13 -7.413 -4.897 -1.011
90 HD22 ASN 13 HD22 ASN 13 -8.469 -3.645 -0.485
91 H ASP 14 H ASP 14 -3.873 -4.885 -2.577
92 HA ASP 14 HA ASP 14 -2.533 -2.487 -1.948
93 HB2 ASP 14 HB3 ASP 14 -1.626 -4.065 -3.566
94 HB3 ASP 14 HB2 ASP 14 -3.016 -3.801 -4.621
95 H GLN 15 H GLN 15 -3.489 -0.628 -1.884
96 HA GLN 15 HA GLN 15 -5.476 0.132 -3.864
97 HB2 GLN 15 HB3 GLN 15 -6.793 -0.784 -2.024
98 HB3 GLN 15 HB2 GLN 15 -5.960 0.240 -0.878
99 HG2 GLN 15 HG3 GLN 15 -6.888 2.209 -2.133
100 HG3 GLN 15 HG2 GLN 15 -7.881 1.061 -3.034
101 HE21 GLN 15 HE21 GLN 15 -8.693 3.182 -1.229
102 HE22 GLN 15 HE22 GLN 15 -9.626 2.416 0.003
103 H CYS 16 H CYS 16 -4.537 1.448 -0.710
104 HA CYS 16 HA CYS 16 -3.720 3.410 -0.049
105 HB2 CYS 16 HB3 CYS 16 -1.714 2.262 -0.974
106 HB3 CYS 16 HB2 CYS 16 -1.959 3.114 -2.499
107 H CYS 17 H CYS 17 -2.606 5.435 -1.990
108 HA CYS 17 HA CYS 17 -5.204 6.618 -2.481
109 HB2 CYS 17 HB3 CYS 17 -3.190 7.835 -1.388
110 HB3 CYS 17 HB2 CYS 17 -2.619 7.931 -3.058
111 H LYS 18 H LYS 18 -6.082 6.215 -4.241
112 HA LYS 18 HA LYS 18 -4.597 5.494 -6.613
113 HB2 LYS 18 HB3 LYS 18 -6.811 5.203 -7.705
114 HB3 LYS 18 HB2 LYS 18 -6.598 4.224 -6.263
115 HG2 LYS 18 HG3 LYS 18 -8.014 5.733 -5.002
116 HG3 LYS 18 HG2 LYS 18 -8.157 6.803 -6.403
117 HD2 LYS 18 HD3 LYS 18 -9.281 5.063 -7.659
118 HD3 LYS 18 HD2 LYS 18 -9.054 3.917 -6.345
119 HE2 LYS 18 HE3 LYS 18 -10.708 6.448 -6.222
120 HE3 LYS 18 HE2 LYS 18 -11.345 4.819 -6.415
121 HZ1 LYS 18 HZ1 LYS 18 -9.866 5.846 -4.050
122 HZ2 LYS 18 HZ2 LYS 18 -10.416 4.264 -4.224
123 HZ3 LYS 18 HZ3 LYS 18 -11.511 5.516 -4.116
124 H SER 19 H SER 19 -5.818 8.282 -5.262
125 HA SER 19 HA SER 19 -6.004 9.788 -7.694
126 HB2 SER 19 HB3 SER 19 -7.260 10.413 -5.622
127 HB3 SER 19 HB2 SER 19 -5.726 10.778 -4.838
128 HG SER 19 HG SER 19 -6.964 12.059 -7.013
129 H SER 20 H SER 20 -3.495 8.980 -5.371
130 HA SER 20 HA SER 20 -1.666 10.840 -6.676
131 HB2 SER 20 HB3 SER 20 -1.335 9.171 -4.212
132 HB3 SER 20 HB2 SER 20 -0.208 10.406 -4.797
133 HG SER 20 HG SER 20 -2.056 11.879 -4.597
134 H LYS 21 H LYS 21 -2.769 7.835 -6.962
135 HA LYS 21 HA LYS 21 -2.214 5.969 -7.981
136 HB2 LYS 21 HB3 LYS 21 0.021 7.596 -9.193
137 HB3 LYS 21 HB2 LYS 21 -0.635 6.095 -9.848
138 HG2 LYS 21 HG3 LYS 21 -2.147 8.635 -9.468
139 HG3 LYS 21 HG2 LYS 21 -1.378 8.179 -10.997
140 HD2 LYS 21 HD3 LYS 21 -2.796 6.135 -11.027
141 HD3 LYS 21 HD2 LYS 21 -3.586 6.700 -9.554
142 HE2 LYS 21 HE3 LYS 21 -4.948 7.230 -11.496
143 HE3 LYS 21 HE2 LYS 21 -4.351 8.702 -10.740
144 HZ1 LYS 21 HZ1 LYS 21 -2.627 8.824 -12.452
145 HZ2 LYS 21 HZ2 LYS 21 -4.153 8.810 -13.138
146 HZ3 LYS 21 HZ3 LYS 21 -3.217 7.415 -13.167
147 H LEU 22 H LEU 22 -1.450 5.524 -5.530
148 HA LEU 22 HA LEU 22 1.360 5.009 -5.520
149 HB2 LEU 22 HB3 LEU 22 -0.583 5.396 -3.291
150 HB3 LEU 22 HB2 LEU 22 1.135 5.130 -3.184
151 HG LEU 22 HG LEU 22 -0.170 7.591 -4.345
152 HD11 LEU 22 HD11 LEU 22 -0.332 7.542 -1.907
153 HD12 LEU 22 HD12 LEU 22 0.840 8.755 -2.461
154 HD13 LEU 22 HD13 LEU 22 1.410 7.226 -1.813
155 HD21 LEU 22 HD21 LEU 22 2.078 8.504 -4.466
156 HD22 LEU 22 HD22 LEU 22 1.923 7.050 -5.460
157 HD23 LEU 22 HD23 LEU 22 2.702 6.970 -3.867
158 H VAL 23 H VAL 23 1.899 3.108 -5.216
159 HA VAL 23 HA VAL 23 -0.116 0.984 -4.896
160 HB VAL 23 HB VAL 23 1.555 -0.601 -5.816
161 HG11 VAL 23 HG11 VAL 23 -0.064 0.386 -7.317
162 HG12 VAL 23 HG12 VAL 23 1.479 0.183 -8.149
163 HG13 VAL 23 HG13 VAL 23 0.988 1.775 -7.567
164 HG21 VAL 23 HG21 VAL 23 3.579 0.255 -6.934
165 HG22 VAL 23 HG22 VAL 23 3.606 0.539 -5.194
166 HG23 VAL 23 HG23 VAL 23 3.231 1.865 -6.298
167 H CYS 24 H CYS 24 0.711 -0.994 -3.723
168 HA CYS 24 HA CYS 24 1.840 -0.014 -1.244
169 HB2 CYS 24 HB3 CYS 24 -0.293 -1.253 -1.228
170 HB3 CYS 24 HB2 CYS 24 0.553 -2.660 -1.877
171 H SER 25 H SER 25 3.768 -0.603 -0.533
172 HA SER 25 HA SER 25 5.315 -2.371 -2.110
173 HB2 SER 25 HB3 SER 25 6.370 -0.316 -1.426
174 HB3 SER 25 HB2 SER 25 6.039 -0.665 0.268
175 HG SER 25 HG SER 25 8.128 -1.196 -0.159
176 H ARG 26 H ARG 26 6.246 -4.182 -1.249
177 HA ARG 26 HA ARG 26 4.872 -5.392 1.058
178 HB2 ARG 26 HB3 ARG 26 4.546 -6.425 -1.120
179 HB3 ARG 26 HB2 ARG 26 6.309 -6.473 -1.265
180 HG2 ARG 26 HG3 ARG 26 6.481 -8.109 0.487
181 HG3 ARG 26 HG2 ARG 26 4.748 -8.010 0.809
182 HD2 ARG 26 HD3 ARG 26 5.488 -9.988 -0.568
183 HD3 ARG 26 HD2 ARG 26 4.211 -8.995 -1.268
184 HE ARG 26 HE ARG 26 5.840 -7.997 -2.706
185 HH11 ARG 26 HH11 ARG 26 6.966 -10.944 -1.095
186 HH12 ARG 26 HH12 ARG 26 8.103 -11.320 -2.311
187 HH21 ARG 26 HH21 ARG 26 7.422 -8.489 -4.305
188 HH22 ARG 26 HH22 ARG 26 8.403 -9.878 -4.162
189 H LYS 27 H LYS 27 7.917 -4.630 -0.470
190 HA LYS 27 HA LYS 27 9.431 -6.122 1.449
191 HB2 LYS 27 HB3 LYS 27 10.281 -4.204 -0.712
192 HB3 LYS 27 HB2 LYS 27 11.401 -5.072 0.331
193 HG2 LYS 27 HG3 LYS 27 10.490 -7.205 -0.500
194 HG3 LYS 27 HG2 LYS 27 9.427 -6.304 -1.575
195 HD2 LYS 27 HD3 LYS 27 11.298 -5.380 -2.757
196 HD3 LYS 27 HD2 LYS 27 12.431 -6.093 -1.606
197 HE2 LYS 27 HE3 LYS 27 10.569 -7.638 -3.404
198 HE3 LYS 27 HE2 LYS 27 12.281 -7.358 -3.715
199 HZ1 LYS 27 HZ1 LYS 27 12.799 -8.571 -1.670
200 HZ2 LYS 27 HZ2 LYS 27 11.945 -9.524 -2.738
201 HZ3 LYS 27 HZ3 LYS 27 11.169 -8.878 -1.392
202 H THR 28 H THR 28 8.127 -3.055 1.209
203 HA THR 28 HA THR 28 9.621 -2.350 3.679
204 HB THR 28 HB THR 28 9.393 0.091 3.084
205 HG1 THR 28 HG1 THR 28 8.590 0.660 1.276
206 HG21 THR 28 HG21 THR 28 11.301 0.067 1.518
207 HG22 THR 28 HG22 THR 28 11.045 -1.672 1.291
208 HG23 THR 28 HG23 THR 28 11.504 -1.044 2.874
209 H ARG 29 H ARG 29 6.609 -2.501 2.165
210 HA ARG 29 HA ARG 29 4.546 -2.204 2.695
211 HB2 ARG 29 HB3 ARG 29 5.175 -3.723 4.541
212 HB3 ARG 29 HB2 ARG 29 5.395 -2.318 5.575
213 HG2 ARG 29 HG3 ARG 29 3.051 -1.708 5.254
214 HG3 ARG 29 HG2 ARG 29 2.826 -3.122 4.226
215 HD2 ARG 29 HD3 ARG 29 3.501 -4.537 6.111
216 HD3 ARG 29 HD2 ARG 29 3.582 -3.082 7.116
217 HE ARG 29 HE ARG 29 1.082 -3.255 5.829
218 HH11 ARG 29 HH11 ARG 29 2.850 -4.544 8.595
219 HH12 ARG 29 HH12 ARG 29 1.481 -5.083 9.438
220 HH21 ARG 29 HH21 ARG 29 -0.824 -3.936 6.993
221 HH22 ARG 29 HH22 ARG 29 -0.689 -4.724 8.492
222 H TRP 30 H TRP 30 4.855 -0.152 1.748
223 HA TRP 30 HA TRP 30 3.275 1.755 3.010
224 HB2 TRP 30 HB3 TRP 30 4.797 3.682 2.839
225 HB3 TRP 30 HB2 TRP 30 5.245 2.616 4.135
226 HD1 TRP 30 HD1 TRP 30 6.321 3.128 0.422
227 HE1 TRP 30 HE1 TRP 30 8.888 3.094 0.326
228 HE3 TRP 30 HE3 TRP 30 7.277 2.228 5.347
229 HZ2 TRP 30 HZ2 TRP 30 11.051 2.743 2.136
230 HZ3 TRP 30 HZ3 TRP 30 9.613 2.065 6.088
231 HH2 TRP 30 HH2 TRP 30 11.456 2.318 4.510
232 H CYS 31 H CYS 31 3.404 3.752 1.489
233 HA CYS 31 HA CYS 31 2.624 2.460 -0.908
234 HB2 CYS 31 HB3 CYS 31 2.199 5.134 0.295
235 HB3 CYS 31 HB2 CYS 31 1.689 4.763 -1.347
236 H LYS 32 H LYS 32 3.684 2.547 -2.709
237 HA LYS 32 HA LYS 32 6.136 4.103 -2.855
238 HB2 LYS 32 HB3 LYS 32 5.022 2.113 -4.819
239 HB3 LYS 32 HB2 LYS 32 6.613 2.849 -4.884
240 HG2 LYS 32 HG3 LYS 32 5.597 1.002 -2.751
241 HG3 LYS 32 HG2 LYS 32 6.701 0.610 -4.079
242 HD2 LYS 32 HD3 LYS 32 7.292 2.629 -1.892
243 HD3 LYS 32 HD2 LYS 32 7.864 0.970 -1.875
244 HE2 LYS 32 HE3 LYS 32 8.492 2.978 -4.023
245 HE3 LYS 32 HE2 LYS 32 9.559 2.587 -2.679
246 HZ1 LYS 32 HZ1 LYS 32 10.161 1.388 -4.693
247 HZ2 LYS 32 HZ2 LYS 32 8.660 0.657 -4.770
248 HZ3 LYS 32 HZ3 LYS 32 9.702 0.324 -3.487
249 H TRP 33 H TRP 33 6.502 5.587 -4.300
250 HA TRP 33 HA TRP 33 4.156 7.059 -5.073
251 HB2 TRP 33 HB3 TRP 33 6.254 8.054 -3.990
252 HB3 TRP 33 HB2 TRP 33 7.015 7.874 -5.565
253 HD1 TRP 33 HD1 TRP 33 6.393 9.605 -7.393
254 HE1 TRP 33 HE1 TRP 33 5.055 11.820 -7.406
255 HE3 TRP 33 HE3 TRP 33 4.177 9.198 -2.843
256 HZ2 TRP 33 HZ2 TRP 33 3.292 13.188 -5.696
257 HZ3 TRP 33 HZ3 TRP 33 2.674 11.001 -2.089
258 HH2 TRP 33 HH2 TRP 33 2.248 12.946 -3.488
259 H GLN 34 H GLN 34 3.646 7.754 -7.103
260 HA GLN 34 HA GLN 34 3.698 5.835 -9.097
261 HB2 GLN 34 HB3 GLN 34 2.675 7.559 -10.518
262 HB3 GLN 34 HB2 GLN 34 1.936 7.411 -8.926
263 HG2 GLN 34 HG3 GLN 34 3.177 9.395 -8.185
264 HG3 GLN 34 HG2 GLN 34 3.866 9.555 -9.794
265 HE21 GLN 34 HE21 GLN 34 1.331 8.769 -11.093
266 HE22 GLN 34 HE22 GLN 34 0.308 10.131 -10.922
267 H ILE 35 H ILE 35 5.722 8.623 -8.679
268 HA ILE 35 HA ILE 35 6.961 8.447 -11.235
269 HB ILE 35 HB ILE 35 8.013 9.818 -8.734
270 HG12 ILE 35 HG12 ILE 35 5.831 10.733 -9.324
271 HG13 ILE 35 HG11 ILE 35 7.092 11.896 -9.706
272 HG21 ILE 35 HG21 ILE 35 9.768 9.460 -10.379
273 HG22 ILE 35 HG22 ILE 35 9.368 11.172 -10.252
274 HG23 ILE 35 HG23 ILE 35 8.779 10.232 -11.620
275 HD11 ILE 35 HD11 ILE 35 5.637 10.131 -11.665
276 HD12 ILE 35 HD12 ILE 35 6.936 11.249 -12.072
277 HD13 ILE 35 HD13 ILE 35 5.411 11.866 -11.440
278 HN1 NH2 36 HN1 NH2 36 8.466 7.960 -8.054
279 HN2 NH2 36 HN2 NH2 36 9.416 6.601 -8.533
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 -11.234 8.139 -0.414
2 H2 GLY 1 H2 GLY 1 -10.316 7.102 -1.398
3 H3 GLY 1 H3 GLY 1 -9.855 8.706 -1.223
4 HA2 GLY 1 HA2 GLY 1 -9.312 8.356 1.060
5 HA3 GLY 1 HA3 GLY 1 -9.864 6.688 0.913
6 H CYS 2 H CYS 2 -7.168 8.196 1.315
7 HA CYS 2 HA CYS 2 -5.732 6.424 -0.490
8 HB2 CYS 2 HB3 CYS 2 -5.093 9.305 0.098
9 HB3 CYS 2 HB2 CYS 2 -3.985 8.181 -0.620
10 H LEU 3 H LEU 3 -3.365 6.474 0.256
11 HA LEU 3 HA LEU 3 -3.202 6.488 3.149
12 HB2 LEU 3 HB3 LEU 3 -1.831 4.696 1.139
13 HB3 LEU 3 HB2 LEU 3 -1.495 4.737 2.849
14 HG LEU 3 HG LEU 3 -4.066 3.799 1.567
15 HD11 LEU 3 HD11 LEU 3 -1.893 2.282 3.001
16 HD12 LEU 3 HD12 LEU 3 -2.198 2.249 1.267
17 HD13 LEU 3 HD13 LEU 3 -3.397 1.602 2.386
18 HD21 LEU 3 HD21 LEU 3 -4.504 4.840 3.730
19 HD22 LEU 3 HD22 LEU 3 -3.241 3.858 4.470
20 HD23 LEU 3 HD23 LEU 3 -4.695 3.090 3.834
21 H GLY 4 H GLY 4 -1.487 7.636 3.857
22 HA2 GLY 4 HA3 GLY 4 -0.022 9.355 2.146
23 HA3 GLY 4 HA2 GLY 4 0.369 9.013 3.832
24 H ILE 5 H ILE 5 2.419 9.365 2.351
25 HA ILE 5 HA ILE 5 3.171 7.149 0.816
26 HB ILE 5 HB ILE 5 4.042 9.292 0.203
27 HG12 ILE 5 HG13 ILE 5 6.099 7.496 1.360
28 HG13 ILE 5 HG12 ILE 5 5.415 7.486 -0.273
29 HG21 ILE 5 HG21 ILE 5 5.281 9.474 2.941
30 HG22 ILE 5 HG22 ILE 5 3.970 10.468 2.291
31 HG23 ILE 5 HG23 ILE 5 5.585 10.585 1.606
32 HD11 ILE 5 HD11 ILE 5 6.509 9.680 -0.701
33 HD12 ILE 5 HD12 ILE 5 7.673 8.409 -0.342
34 HD13 ILE 5 HD13 ILE 5 7.249 9.589 0.898
35 H TRP 6 H TRP 6 3.665 8.020 4.042
36 HA TRP 6 HA TRP 6 5.447 5.813 4.423
37 HB2 TRP 6 HB3 TRP 6 4.591 8.045 6.155
38 HB3 TRP 6 HB2 TRP 6 5.613 6.734 6.755
39 HD1 TRP 6 HD1 TRP 6 5.888 10.052 5.155
40 HE1 TRP 6 HE1 TRP 6 8.284 10.426 4.234
41 HE3 TRP 6 HE3 TRP 6 7.618 5.274 5.456
42 HZ2 TRP 6 HZ2 TRP 6 10.572 8.875 3.705
43 HZ3 TRP 6 HZ3 TRP 6 9.884 4.786 4.717
44 HH2 TRP 6 HH2 TRP 6 11.341 6.547 3.856
45 H LYS 7 H LYS 7 2.478 5.690 3.977
46 HA LYS 7 HA LYS 7 1.580 4.554 6.477
47 HB2 LYS 7 HB3 LYS 7 0.291 5.193 3.902
48 HB3 LYS 7 HB2 LYS 7 -0.461 4.042 4.973
49 HG2 LYS 7 HG3 LYS 7 0.242 6.886 5.708
50 HG3 LYS 7 HG2 LYS 7 -1.365 6.335 5.229
51 HD2 LYS 7 HD3 LYS 7 -1.365 4.773 7.142
52 HD3 LYS 7 HD2 LYS 7 0.195 5.416 7.647
53 HE2 LYS 7 HE3 LYS 7 -2.381 6.966 7.433
54 HE3 LYS 7 HE2 LYS 7 -1.619 6.404 8.918
55 HZ1 LYS 7 HZ1 LYS 7 -0.503 8.403 7.027
56 HZ2 LYS 7 HZ2 LYS 7 0.296 7.801 8.384
57 HZ3 LYS 7 HZ3 LYS 7 -1.113 8.689 8.570
58 H ALA 8 H ALA 8 1.002 2.531 6.741
59 HA ALA 8 HA ALA 8 2.365 0.607 5.025
60 HB1 ALA 8 HB1 ALA 8 1.217 0.310 7.805
61 HB2 ALA 8 HB2 ALA 8 2.918 0.552 7.412
62 HB3 ALA 8 HB3 ALA 8 2.103 -0.935 6.926
63 H CYS 9 H CYS 9 1.180 -0.554 3.676
64 HA CYS 9 HA CYS 9 -1.721 -0.392 3.783
65 HB2 CYS 9 HB3 CYS 9 -1.512 -1.463 1.591
66 HB3 CYS 9 HB2 CYS 9 -0.685 0.078 1.690
67 H ASN 10 H ASN 10 -2.598 -2.418 2.707
68 HA ASN 10 HA ASN 10 -1.811 -4.844 4.125
69 HB2 ASN 10 HB3 ASN 10 -4.299 -3.885 2.741
70 HB3 ASN 10 HB2 ASN 10 -4.029 -5.582 3.028
71 HD21 ASN 10 HD21 ASN 10 -5.817 -5.741 4.289
72 HD22 ASN 10 HD22 ASN 10 -5.938 -5.077 5.885
73 HA PRO 11 HA PRO 11 0.214 -5.535 0.032
74 HB2 PRO 11 HB3 PRO 11 0.318 -8.208 1.354
75 HB3 PRO 11 HB2 PRO 11 1.560 -7.379 0.416
76 HG2 PRO 11 HG3 PRO 11 1.739 -7.386 3.048
77 HG3 PRO 11 HG2 PRO 11 2.045 -5.878 2.164
78 HD2 PRO 11 HD3 PRO 11 -0.354 -6.698 3.742
79 HD3 PRO 11 HD2 PRO 11 0.403 -5.101 3.589
80 H SER 12 H SER 12 -2.164 -7.608 1.544
81 HA SER 12 HA SER 12 -2.852 -9.033 -0.839
82 HB2 SER 12 HB3 SER 12 -3.113 -9.983 1.449
83 HB3 SER 12 HB2 SER 12 -4.413 -8.833 1.746
84 HG SER 12 HG SER 12 -5.421 -9.835 -0.201
85 H ASN 13 H ASN 13 -3.776 -5.911 0.373
86 HA ASN 13 HA ASN 13 -5.627 -5.683 -1.734
87 HB2 ASN 13 HB3 ASN 13 -7.523 -4.837 -0.329
88 HB3 ASN 13 HB2 ASN 13 -7.189 -6.539 -0.085
89 HD21 ASN 13 HD21 ASN 13 -7.333 -3.447 1.351
90 HD22 ASN 13 HD22 ASN 13 -7.013 -3.913 2.984
91 H ASP 14 H ASP 14 -3.699 -4.599 -2.185
92 HA ASP 14 HA ASP 14 -3.245 -2.228 -0.729
93 HB2 ASP 14 HB3 ASP 14 -1.248 -3.243 -1.499
94 HB3 ASP 14 HB2 ASP 14 -1.850 -3.345 -3.151
95 H GLN 15 H GLN 15 -3.943 -0.341 -1.209
96 HA GLN 15 HA GLN 15 -5.233 0.161 -3.785
97 HB2 GLN 15 HB3 GLN 15 -6.934 -0.088 -2.028
98 HB3 GLN 15 HB2 GLN 15 -6.103 1.115 -1.051
99 HG2 GLN 15 HG3 GLN 15 -6.531 2.796 -2.782
100 HG3 GLN 15 HG2 GLN 15 -7.409 1.588 -3.716
101 HE21 GLN 15 HE21 GLN 15 -7.436 3.610 -0.901
102 HE22 GLN 15 HE22 GLN 15 -9.098 3.402 -0.541
103 H CYS 16 H CYS 16 -3.887 1.558 -0.822
104 HA CYS 16 HA CYS 16 -2.725 3.432 -0.352
105 HB2 CYS 16 HB3 CYS 16 -1.098 2.129 -1.726
106 HB3 CYS 16 HB2 CYS 16 -1.655 2.985 -3.158
107 H CYS 17 H CYS 17 -1.945 5.410 -2.452
108 HA CYS 17 HA CYS 17 -4.560 6.650 -2.504
109 HB2 CYS 17 HB3 CYS 17 -2.444 7.954 -1.904
110 HB3 CYS 17 HB2 CYS 17 -2.116 7.848 -3.644
111 H LYS 18 H LYS 18 -5.622 5.730 -3.920
112 HA LYS 18 HA LYS 18 -4.657 5.115 -6.544
113 HB2 LYS 18 HB3 LYS 18 -6.989 4.445 -7.060
114 HB3 LYS 18 HB2 LYS 18 -6.370 3.687 -5.604
115 HG2 LYS 18 HG3 LYS 18 -7.607 5.430 -4.288
116 HG3 LYS 18 HG2 LYS 18 -8.347 5.949 -5.803
117 HD2 LYS 18 HD3 LYS 18 -8.526 3.164 -4.630
118 HD3 LYS 18 HD2 LYS 18 -9.787 4.380 -4.530
119 HE2 LYS 18 HE3 LYS 18 -8.704 3.192 -7.088
120 HE3 LYS 18 HE2 LYS 18 -10.194 2.699 -6.298
121 HZ1 LYS 18 HZ1 LYS 18 -10.654 4.230 -8.081
122 HZ2 LYS 18 HZ2 LYS 18 -9.627 5.387 -7.430
123 HZ3 LYS 18 HZ3 LYS 18 -11.034 4.967 -6.622
124 H SER 19 H SER 19 -6.033 7.819 -5.046
125 HA SER 19 HA SER 19 -6.936 9.140 -7.385
126 HB2 SER 19 HB3 SER 19 -6.260 10.255 -4.662
127 HB3 SER 19 HB2 SER 19 -7.270 11.020 -5.895
128 HG SER 19 HG SER 19 -8.684 9.268 -5.733
129 H SER 20 H SER 20 -3.828 8.848 -5.741
130 HA SER 20 HA SER 20 -2.759 10.949 -7.489
131 HB2 SER 20 HB3 SER 20 -1.523 9.635 -5.108
132 HB3 SER 20 HB2 SER 20 -0.854 10.992 -6.029
133 HG SER 20 HG SER 20 -2.857 10.963 -4.097
134 H LYS 21 H LYS 21 -3.186 7.724 -7.357
135 HA LYS 21 HA LYS 21 -2.428 5.968 -8.402
136 HB2 LYS 21 HB3 LYS 21 -0.871 7.961 -10.044
137 HB3 LYS 21 HB2 LYS 21 -1.118 6.266 -10.467
138 HG2 LYS 21 HG3 LYS 21 -3.314 8.201 -9.988
139 HG3 LYS 21 HG2 LYS 21 -2.639 7.941 -11.606
140 HD2 LYS 21 HD3 LYS 21 -3.199 5.507 -11.365
141 HD3 LYS 21 HD2 LYS 21 -3.978 5.882 -9.828
142 HE2 LYS 21 HE3 LYS 21 -4.782 7.038 -12.490
143 HE3 LYS 21 HE2 LYS 21 -5.547 5.647 -11.728
144 HZ1 LYS 21 HZ1 LYS 21 -6.151 7.068 -9.860
145 HZ2 LYS 21 HZ2 LYS 21 -6.779 7.658 -11.307
146 HZ3 LYS 21 HZ3 LYS 21 -5.446 8.403 -10.625
147 H LEU 22 H LEU 22 -1.334 5.779 -6.105
148 HA LEU 22 HA LEU 22 1.501 5.560 -6.393
149 HB2 LEU 22 HB3 LEU 22 -0.256 5.956 -3.999
150 HB3 LEU 22 HB2 LEU 22 1.476 5.813 -4.006
151 HG LEU 22 HG LEU 22 -0.193 8.112 -4.991
152 HD11 LEU 22 HD11 LEU 22 1.900 7.947 -2.832
153 HD12 LEU 22 HD12 LEU 22 0.158 8.055 -2.598
154 HD13 LEU 22 HD13 LEU 22 1.034 9.404 -3.320
155 HD21 LEU 22 HD21 LEU 22 2.774 7.698 -5.311
156 HD22 LEU 22 HD22 LEU 22 1.955 9.240 -5.554
157 HD23 LEU 22 HD23 LEU 22 1.579 7.868 -6.597
158 H VAL 23 H VAL 23 2.232 3.676 -5.476
159 HA VAL 23 HA VAL 23 0.240 1.602 -4.904
160 HB VAL 23 HB VAL 23 1.826 -0.084 -5.822
161 HG11 VAL 23 HG11 VAL 23 0.972 2.032 -7.792
162 HG12 VAL 23 HG12 VAL 23 -0.007 0.684 -7.218
163 HG13 VAL 23 HG13 VAL 23 1.420 0.379 -8.209
164 HG21 VAL 23 HG21 VAL 23 3.352 2.312 -6.851
165 HG22 VAL 23 HG22 VAL 23 3.671 0.631 -7.285
166 HG23 VAL 23 HG23 VAL 23 3.908 1.174 -5.624
167 H CYS 24 H CYS 24 0.906 0.004 -3.319
168 HA CYS 24 HA CYS 24 2.963 1.143 -1.614
169 HB2 CYS 24 HB3 CYS 24 0.782 1.101 -0.572
170 HB3 CYS 24 HB2 CYS 24 0.603 -0.606 -0.938
171 H SER 25 H SER 25 4.466 -0.099 -0.706
172 HA SER 25 HA SER 25 5.318 -2.223 -2.359
173 HB2 SER 25 HB3 SER 25 6.784 -0.393 -1.678
174 HB3 SER 25 HB2 SER 25 6.630 -0.907 -0.009
175 HG SER 25 HG SER 25 8.061 -2.012 -2.097
176 H ARG 26 H ARG 26 6.259 -4.136 -1.328
177 HA ARG 26 HA ARG 26 4.686 -5.107 0.957
178 HB2 ARG 26 HB3 ARG 26 4.390 -6.280 -1.181
179 HB3 ARG 26 HB2 ARG 26 6.142 -6.473 -1.226
180 HG2 ARG 26 HG3 ARG 26 6.133 -8.038 0.542
181 HG3 ARG 26 HG2 ARG 26 4.446 -7.694 0.933
182 HD2 ARG 26 HD3 ARG 26 4.765 -9.822 -0.315
183 HD3 ARG 26 HD2 ARG 26 3.702 -8.671 -1.123
184 HE ARG 26 HE ARG 26 6.430 -8.490 -1.965
185 HH11 ARG 26 HH11 ARG 26 3.421 -10.284 -2.489
186 HH12 ARG 26 HH12 ARG 26 3.771 -10.681 -4.107
187 HH21 ARG 26 HH21 ARG 26 6.876 -9.012 -4.254
188 HH22 ARG 26 HH22 ARG 26 5.716 -9.926 -5.119
189 H LYS 27 H LYS 27 7.871 -4.996 -0.565
190 HA LYS 27 HA LYS 27 9.211 -6.350 1.534
191 HB2 LYS 27 HB3 LYS 27 11.272 -5.710 0.402
192 HB3 LYS 27 HB2 LYS 27 10.103 -6.348 -0.741
193 HG2 LYS 27 HG3 LYS 27 9.552 -4.004 -1.401
194 HG3 LYS 27 HG2 LYS 27 10.825 -3.455 -0.320
195 HD2 LYS 27 HD3 LYS 27 11.225 -5.300 -2.679
196 HD3 LYS 27 HD2 LYS 27 11.585 -3.574 -2.661
197 HE2 LYS 27 HE3 LYS 27 13.222 -3.946 -0.865
198 HE3 LYS 27 HE2 LYS 27 12.849 -5.666 -0.895
199 HZ1 LYS 27 HZ1 LYS 27 13.669 -5.734 -3.205
200 HZ2 LYS 27 HZ2 LYS 27 14.836 -5.215 -2.116
201 HZ3 LYS 27 HZ3 LYS 27 14.083 -4.101 -3.097
202 H THR 28 H THR 28 8.303 -3.143 0.993
203 HA THR 28 HA THR 28 9.760 -2.397 3.451
204 HB THR 28 HB THR 28 9.533 0.043 2.633
205 HG1 THR 28 HG1 THR 28 9.355 -1.186 0.105
206 HG21 THR 28 HG21 THR 28 11.292 -1.893 1.138
207 HG22 THR 28 HG22 THR 28 11.656 -1.128 2.688
208 HG23 THR 28 HG23 THR 28 11.539 -0.148 1.226
209 H ARG 29 H ARG 29 6.762 -2.484 1.885
210 HA ARG 29 HA ARG 29 4.697 -2.019 2.376
211 HB2 ARG 29 HB3 ARG 29 5.153 -3.724 4.092
212 HB3 ARG 29 HB2 ARG 29 5.548 -2.449 5.231
213 HG2 ARG 29 HG3 ARG 29 3.250 -1.590 5.064
214 HG3 ARG 29 HG2 ARG 29 2.853 -2.894 3.943
215 HD2 ARG 29 HD3 ARG 29 3.353 -4.539 5.645
216 HD3 ARG 29 HD2 ARG 29 3.852 -3.249 6.741
217 HE ARG 29 HE ARG 29 1.114 -3.172 5.745
218 HH11 ARG 29 HH11 ARG 29 3.268 -4.039 8.424
219 HH12 ARG 29 HH12 ARG 29 2.074 -3.913 9.623
220 HH21 ARG 29 HH21 ARG 29 -0.554 -2.999 7.410
221 HH22 ARG 29 HH22 ARG 29 -0.156 -3.326 9.021
222 H TRP 30 H TRP 30 5.289 0.069 1.590
223 HA TRP 30 HA TRP 30 3.721 1.948 2.912
224 HB2 TRP 30 HB3 TRP 30 5.243 3.816 2.994
225 HB3 TRP 30 HB2 TRP 30 5.752 2.612 4.132
226 HD1 TRP 30 HD1 TRP 30 6.690 3.950 0.603
227 HE1 TRP 30 HE1 TRP 30 9.265 3.880 0.349
228 HE3 TRP 30 HE3 TRP 30 7.873 1.653 5.008
229 HZ2 TRP 30 HZ2 TRP 30 11.478 2.963 1.820
230 HZ3 TRP 30 HZ3 TRP 30 10.244 1.233 5.518
231 HH2 TRP 30 HH2 TRP 30 12.004 1.876 3.951
232 H CYS 31 H CYS 31 3.733 3.911 1.632
233 HA CYS 31 HA CYS 31 3.139 2.925 -0.966
234 HB2 CYS 31 HB3 CYS 31 2.428 5.298 0.634
235 HB3 CYS 31 HB2 CYS 31 2.244 5.369 -1.112
236 H LYS 32 H LYS 32 4.073 3.551 -2.811
237 HA LYS 32 HA LYS 32 6.504 5.107 -2.537
238 HB2 LYS 32 HB3 LYS 32 5.474 3.317 -4.726
239 HB3 LYS 32 HB2 LYS 32 6.899 4.335 -4.905
240 HG2 LYS 32 HG3 LYS 32 6.566 2.211 -2.804
241 HG3 LYS 32 HG2 LYS 32 7.411 2.029 -4.358
242 HD2 LYS 32 HD3 LYS 32 8.959 3.853 -3.692
243 HD3 LYS 32 HD2 LYS 32 8.129 3.981 -2.148
244 HE2 LYS 32 HE3 LYS 32 9.603 1.539 -3.135
245 HE3 LYS 32 HE2 LYS 32 10.249 2.716 -2.005
246 HZ1 LYS 32 HZ1 LYS 32 7.869 1.024 -1.571
247 HZ2 LYS 32 HZ2 LYS 32 8.513 2.101 -0.421
248 HZ3 LYS 32 HZ3 LYS 32 9.382 0.749 -0.905
249 H TRP 33 H TRP 33 6.859 6.908 -3.669
250 HA TRP 33 HA TRP 33 4.353 8.216 -4.306
251 HB2 TRP 33 HB3 TRP 33 5.678 9.029 -2.403
252 HB3 TRP 33 HB2 TRP 33 6.973 9.461 -3.511
253 HD1 TRP 33 HD1 TRP 33 3.171 10.188 -3.786
254 HE1 TRP 33 HE1 TRP 33 2.901 12.757 -4.025
255 HE3 TRP 33 HE3 TRP 33 8.054 11.568 -3.338
256 HZ2 TRP 33 HZ2 TRP 33 4.531 15.014 -3.998
257 HZ3 TRP 33 HZ3 TRP 33 8.620 13.959 -3.445
258 HH2 TRP 33 HH2 TRP 33 6.895 15.641 -3.768
259 H GLN 34 H GLN 34 4.142 9.554 -6.034
260 HA GLN 34 HA GLN 34 5.080 8.584 -8.455
261 HB2 GLN 34 HB3 GLN 34 3.932 10.541 -9.459
262 HB3 GLN 34 HB2 GLN 34 2.945 9.639 -8.321
263 HG2 GLN 34 HG3 GLN 34 3.389 11.338 -6.602
264 HG3 GLN 34 HG2 GLN 34 4.365 12.235 -7.761
265 HE21 GLN 34 HE21 GLN 34 1.949 13.045 -6.326
266 HE22 GLN 34 HE22 GLN 34 0.813 13.473 -7.532
267 H ILE 35 H ILE 35 6.356 11.182 -6.513
268 HA ILE 35 HA ILE 35 8.186 11.888 -8.677
269 HB ILE 35 HB ILE 35 7.894 13.228 -5.955
270 HG12 ILE 35 HG12 ILE 35 5.844 13.555 -7.245
271 HG13 ILE 35 HG11 ILE 35 6.740 15.059 -7.146
272 HG21 ILE 35 HG21 ILE 35 10.104 13.573 -6.915
273 HG22 ILE 35 HG22 ILE 35 9.184 15.077 -6.940
274 HG23 ILE 35 HG23 ILE 35 9.381 14.141 -8.420
275 HD11 ILE 35 HD11 ILE 35 5.794 14.752 -9.358
276 HD12 ILE 35 HD12 ILE 35 6.635 13.214 -9.529
277 HD13 ILE 35 HD13 ILE 35 7.556 14.715 -9.436
278 HN1 NH2 36 HN1 NH2 36 8.868 11.858 -5.219
279 HN2 NH2 36 HN2 NH2 36 10.142 10.693 -5.307
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 -9.355 11.175 2.664
2 H2 GLY 1 H2 GLY 1 -8.741 10.696 1.159
3 H3 GLY 1 H3 GLY 1 -7.825 10.490 2.555
4 HA2 GLY 1 HA2 GLY 1 -9.391 8.882 3.399
5 HA3 GLY 1 HA3 GLY 1 -10.400 9.154 1.986
6 H CYS 2 H CYS 2 -6.874 8.575 2.473
7 HA CYS 2 HA CYS 2 -7.008 6.052 1.215
8 HB2 CYS 2 HB3 CYS 2 -5.428 6.679 -0.614
9 HB3 CYS 2 HB2 CYS 2 -7.049 7.268 -0.865
10 H LEU 3 H LEU 3 -4.389 5.775 0.560
11 HA LEU 3 HA LEU 3 -3.150 6.175 3.153
12 HB2 LEU 3 HB3 LEU 3 -2.412 4.310 0.911
13 HB3 LEU 3 HB2 LEU 3 -1.608 4.427 2.455
14 HG LEU 3 HG LEU 3 -4.406 3.425 1.961
15 HD11 LEU 3 HD11 LEU 3 -3.494 1.298 2.707
16 HD12 LEU 3 HD12 LEU 3 -1.889 2.022 2.807
17 HD13 LEU 3 HD13 LEU 3 -2.697 1.876 1.245
18 HD21 LEU 3 HD21 LEU 3 -4.404 2.833 4.347
19 HD22 LEU 3 HD22 LEU 3 -4.288 4.576 4.112
20 HD23 LEU 3 HD23 LEU 3 -2.852 3.647 4.546
21 H GLY 4 H GLY 4 -1.380 7.225 3.280
22 HA2 GLY 4 HA3 GLY 4 -0.409 8.768 0.991
23 HA3 GLY 4 HA2 GLY 4 0.024 9.035 2.676
24 H ILE 5 H ILE 5 2.081 9.239 1.534
25 HA ILE 5 HA ILE 5 3.225 6.956 0.369
26 HB ILE 5 HB ILE 5 3.844 9.084 -0.511
27 HG12 ILE 5 HG13 ILE 5 6.119 8.039 1.100
28 HG13 ILE 5 HG12 ILE 5 5.539 7.351 -0.421
29 HG21 ILE 5 HG21 ILE 5 3.404 10.506 1.397
30 HG22 ILE 5 HG22 ILE 5 5.032 10.807 0.792
31 HG23 ILE 5 HG23 ILE 5 4.799 9.839 2.247
32 HD11 ILE 5 HD11 ILE 5 7.555 8.720 -0.785
33 HD12 ILE 5 HD12 ILE 5 6.736 10.102 -0.056
34 HD13 ILE 5 HD13 ILE 5 6.153 9.436 -1.583
35 H TRP 6 H TRP 6 3.373 8.310 3.483
36 HA TRP 6 HA TRP 6 5.450 6.478 4.155
37 HB2 TRP 6 HB3 TRP 6 4.181 8.644 5.719
38 HB3 TRP 6 HB2 TRP 6 5.468 7.617 6.372
39 HD1 TRP 6 HD1 TRP 6 5.095 10.832 4.852
40 HE1 TRP 6 HE1 TRP 6 7.277 11.649 3.668
41 HE3 TRP 6 HE3 TRP 6 7.609 6.416 4.664
42 HZ2 TRP 6 HZ2 TRP 6 9.697 10.533 2.791
43 HZ3 TRP 6 HZ3 TRP 6 9.829 6.353 3.634
44 HH2 TRP 6 HH2 TRP 6 10.855 8.367 2.714
45 H LYS 7 H LYS 7 2.571 5.864 3.643
46 HA LYS 7 HA LYS 7 1.772 4.795 6.203
47 HB2 LYS 7 HB3 LYS 7 0.317 5.459 3.704
48 HB3 LYS 7 HB2 LYS 7 -0.377 4.428 4.927
49 HG2 LYS 7 HG3 LYS 7 0.597 7.240 5.442
50 HG3 LYS 7 HG2 LYS 7 -1.088 6.816 5.116
51 HD2 LYS 7 HD3 LYS 7 -1.097 5.349 7.063
52 HD3 LYS 7 HD2 LYS 7 0.578 5.752 7.396
53 HE2 LYS 7 HE3 LYS 7 -0.003 8.038 7.845
54 HE3 LYS 7 HE2 LYS 7 -1.673 7.751 7.355
55 HZ1 LYS 7 HZ1 LYS 7 -1.904 6.188 9.150
56 HZ2 LYS 7 HZ2 LYS 7 -1.443 7.677 9.778
57 HZ3 LYS 7 HZ3 LYS 7 -0.312 6.431 9.639
58 H ALA 8 H ALA 8 1.222 2.767 6.444
59 HA ALA 8 HA ALA 8 2.408 0.887 4.565
60 HB1 ALA 8 HB1 ALA 8 2.207 -0.722 6.419
61 HB2 ALA 8 HB2 ALA 8 1.410 0.509 7.391
62 HB3 ALA 8 HB3 ALA 8 3.096 0.721 6.914
63 H CYS 9 H CYS 9 1.179 -0.557 3.513
64 HA CYS 9 HA CYS 9 -1.712 -0.207 3.559
65 HB2 CYS 9 HB3 CYS 9 -1.544 -1.678 1.590
66 HB3 CYS 9 HB2 CYS 9 -0.707 -0.148 1.415
67 H ASN 10 H ASN 10 -2.710 -2.351 2.854
68 HA ASN 10 HA ASN 10 -1.909 -4.517 4.607
69 HB2 ASN 10 HB3 ASN 10 -4.425 -3.821 3.103
70 HB3 ASN 10 HB2 ASN 10 -4.154 -5.414 3.765
71 HD21 ASN 10 HD21 ASN 10 -5.915 -5.222 5.101
72 HD22 ASN 10 HD22 ASN 10 -5.980 -4.198 6.491
73 HA PRO 11 HA PRO 11 0.303 -5.726 0.763
74 HB2 PRO 11 HB3 PRO 11 0.379 -8.142 2.517
75 HB3 PRO 11 HB2 PRO 11 1.645 -7.471 1.486
76 HG2 PRO 11 HG3 PRO 11 1.768 -6.976 4.051
77 HG3 PRO 11 HG2 PRO 11 1.976 -5.620 2.925
78 HD2 PRO 11 HD3 PRO 11 -0.418 -6.366 4.556
79 HD3 PRO 11 HD2 PRO 11 0.252 -4.758 4.207
80 H SER 12 H SER 12 -2.166 -7.528 2.350
81 HA SER 12 HA SER 12 -2.615 -9.418 0.287
82 HB2 SER 12 HB3 SER 12 -3.212 -9.886 2.616
83 HB3 SER 12 HB2 SER 12 -4.433 -8.617 2.568
84 HG SER 12 HG SER 12 -4.550 -10.610 0.635
85 H ASN 13 H ASN 13 -3.622 -6.044 0.526
86 HA ASN 13 HA ASN 13 -4.998 -6.328 -1.909
87 HB2 ASN 13 HB3 ASN 13 -6.821 -7.034 -0.398
88 HB3 ASN 13 HB2 ASN 13 -6.624 -5.553 0.529
89 HD21 ASN 13 HD21 ASN 13 -8.781 -5.079 0.123
90 HD22 ASN 13 HD22 ASN 13 -9.319 -4.440 -1.388
91 H ASP 14 H ASP 14 -3.306 -4.991 -2.386
92 HA ASP 14 HA ASP 14 -3.200 -2.508 -1.094
93 HB2 ASP 14 HB3 ASP 14 -1.085 -3.209 -1.612
94 HB3 ASP 14 HB2 ASP 14 -1.545 -3.801 -3.191
95 H GLN 15 H GLN 15 -4.129 -0.710 -1.766
96 HA GLN 15 HA GLN 15 -4.652 -0.263 -4.565
97 HB2 GLN 15 HB3 GLN 15 -6.834 0.792 -4.124
98 HB3 GLN 15 HB2 GLN 15 -6.809 -0.891 -3.615
99 HG2 GLN 15 HG3 GLN 15 -6.698 -0.269 -1.311
100 HG3 GLN 15 HG2 GLN 15 -6.489 1.433 -1.728
101 HE21 GLN 15 HE21 GLN 15 -8.332 2.034 -0.555
102 HE22 GLN 15 HE22 GLN 15 -9.915 1.674 -1.105
103 H CYS 16 H CYS 16 -4.297 1.005 -1.315
104 HA CYS 16 HA CYS 16 -3.564 2.916 -0.436
105 HB2 CYS 16 HB3 CYS 16 -1.510 1.932 -1.467
106 HB3 CYS 16 HB2 CYS 16 -1.732 2.995 -2.861
107 H CYS 17 H CYS 17 -2.465 5.210 -2.108
108 HA CYS 17 HA CYS 17 -5.112 6.293 -2.680
109 HB2 CYS 17 HB3 CYS 17 -3.095 7.547 -1.389
110 HB3 CYS 17 HB2 CYS 17 -2.733 7.910 -3.068
111 H LYS 18 H LYS 18 -5.632 5.600 -4.541
112 HA LYS 18 HA LYS 18 -3.804 5.437 -6.753
113 HB2 LYS 18 HB3 LYS 18 -5.764 4.724 -8.102
114 HB3 LYS 18 HB2 LYS 18 -5.523 3.760 -6.658
115 HG2 LYS 18 HG3 LYS 18 -7.297 5.019 -5.533
116 HG3 LYS 18 HG2 LYS 18 -7.564 5.941 -7.016
117 HD2 LYS 18 HD3 LYS 18 -8.105 3.873 -8.198
118 HD3 LYS 18 HD2 LYS 18 -7.818 2.955 -6.719
119 HE2 LYS 18 HE3 LYS 18 -9.617 4.155 -5.618
120 HE3 LYS 18 HE2 LYS 18 -9.908 5.089 -7.089
121 HZ1 LYS 18 HZ1 LYS 18 -10.453 3.003 -8.204
122 HZ2 LYS 18 HZ2 LYS 18 -11.452 3.302 -6.885
123 HZ3 LYS 18 HZ3 LYS 18 -10.217 2.169 -6.749
124 H SER 19 H SER 19 -5.906 7.782 -5.506
125 HA SER 19 HA SER 19 -6.077 9.402 -7.823
126 HB2 SER 19 HB3 SER 19 -6.258 10.218 -4.920
127 HB3 SER 19 HB2 SER 19 -6.858 11.126 -6.308
128 HG SER 19 HG SER 19 -8.148 9.361 -4.914
129 H SER 20 H SER 20 -3.578 8.918 -5.364
130 HA SER 20 HA SER 20 -2.134 11.233 -6.417
131 HB2 SER 20 HB3 SER 20 -1.486 9.426 -4.130
132 HB3 SER 20 HB2 SER 20 -0.721 10.972 -4.522
133 HG SER 20 HG SER 20 -2.841 11.921 -4.237
134 H LYS 21 H LYS 21 -2.625 8.160 -7.113
135 HA LYS 21 HA LYS 21 -1.689 6.572 -8.268
136 HB2 LYS 21 HB3 LYS 21 0.395 8.643 -8.959
137 HB3 LYS 21 HB2 LYS 21 0.122 7.134 -9.832
138 HG2 LYS 21 HG3 LYS 21 -1.854 9.340 -9.469
139 HG3 LYS 21 HG2 LYS 21 -0.927 9.075 -10.961
140 HD2 LYS 21 HD3 LYS 21 -2.012 6.884 -11.229
141 HD3 LYS 21 HD2 LYS 21 -2.871 7.103 -9.709
142 HE2 LYS 21 HE3 LYS 21 -3.973 9.097 -10.694
143 HE3 LYS 21 HE2 LYS 21 -3.219 8.689 -12.237
144 HZ1 LYS 21 HZ1 LYS 21 -5.068 6.940 -10.709
145 HZ2 LYS 21 HZ2 LYS 21 -4.352 6.561 -12.182
146 HZ3 LYS 21 HZ3 LYS 21 -5.477 7.802 -12.100
147 H LEU 22 H LEU 22 -1.142 6.698 -5.581
148 HA LEU 22 HA LEU 22 1.582 5.862 -5.175
149 HB2 LEU 22 HB3 LEU 22 -0.775 6.484 -3.525
150 HB3 LEU 22 HB2 LEU 22 0.597 5.701 -2.830
151 HG LEU 22 HG LEU 22 0.918 8.410 -4.124
152 HD11 LEU 22 HD11 LEU 22 0.241 7.798 -1.224
153 HD12 LEU 22 HD12 LEU 22 -0.872 8.554 -2.360
154 HD13 LEU 22 HD13 LEU 22 0.604 9.392 -1.882
155 HD21 LEU 22 HD21 LEU 22 2.368 6.976 -1.913
156 HD22 LEU 22 HD22 LEU 22 2.789 8.550 -2.589
157 HD23 LEU 22 HD23 LEU 22 2.910 7.100 -3.585
158 H VAL 23 H VAL 23 1.882 3.935 -5.136
159 HA VAL 23 HA VAL 23 -0.170 1.909 -4.549
160 HB VAL 23 HB VAL 23 1.102 0.279 -5.942
161 HG11 VAL 23 HG11 VAL 23 0.417 1.136 -8.155
162 HG12 VAL 23 HG12 VAL 23 0.168 2.726 -7.429
163 HG13 VAL 23 HG13 VAL 23 -0.824 1.361 -6.924
164 HG21 VAL 23 HG21 VAL 23 2.659 2.683 -6.866
165 HG22 VAL 23 HG22 VAL 23 2.757 1.070 -7.578
166 HG23 VAL 23 HG23 VAL 23 3.290 1.340 -5.916
167 H CYS 24 H CYS 24 0.442 0.292 -3.071
168 HA CYS 24 HA CYS 24 2.647 1.180 -1.491
169 HB2 CYS 24 HB3 CYS 24 0.516 0.692 -0.444
170 HB3 CYS 24 HB2 CYS 24 0.612 -0.970 -1.000
171 H SER 25 H SER 25 4.423 0.027 -0.878
172 HA SER 25 HA SER 25 5.247 -1.947 -2.695
173 HB2 SER 25 HB3 SER 25 6.644 -0.683 -0.358
174 HB3 SER 25 HB2 SER 25 7.360 -1.471 -1.762
175 HG SER 25 HG SER 25 6.101 1.018 -1.560
176 H ARG 26 H ARG 26 6.108 -4.025 -1.707
177 HA ARG 26 HA ARG 26 4.230 -4.800 0.417
178 HB2 ARG 26 HB3 ARG 26 4.103 -5.935 -1.771
179 HB3 ARG 26 HB2 ARG 26 5.759 -6.487 -1.472
180 HG2 ARG 26 HG3 ARG 26 5.084 -7.879 0.323
181 HG3 ARG 26 HG2 ARG 26 3.474 -7.161 0.367
182 HD2 ARG 26 HD3 ARG 26 3.348 -9.337 -0.668
183 HD3 ARG 26 HD2 ARG 26 3.028 -8.093 -1.865
184 HE ARG 26 HE ARG 26 5.753 -9.101 -1.724
185 HH11 ARG 26 HH11 ARG 26 2.608 -9.183 -3.395
186 HH12 ARG 26 HH12 ARG 26 3.199 -10.013 -4.751
187 HH21 ARG 26 HH21 ARG 26 6.549 -10.249 -3.626
188 HH22 ARG 26 HH22 ARG 26 5.486 -10.622 -4.890
189 H LYS 27 H LYS 27 7.579 -5.186 -0.570
190 HA LYS 27 HA LYS 27 8.190 -6.688 1.801
191 HB2 LYS 27 HB3 LYS 27 10.077 -5.542 -0.254
192 HB3 LYS 27 HB2 LYS 27 10.460 -6.768 0.939
193 HG2 LYS 27 HG3 LYS 27 8.610 -7.044 -1.421
194 HG3 LYS 27 HG2 LYS 27 10.182 -7.807 -1.201
195 HD2 LYS 27 HD3 LYS 27 7.706 -8.331 0.462
196 HD3 LYS 27 HD2 LYS 27 8.335 -9.375 -0.805
197 HE2 LYS 27 HE3 LYS 27 10.406 -9.662 0.492
198 HE3 LYS 27 HE2 LYS 27 9.731 -8.660 1.771
199 HZ1 LYS 27 HZ1 LYS 27 9.473 -11.015 2.252
200 HZ2 LYS 27 HZ2 LYS 27 8.599 -11.233 0.827
201 HZ3 LYS 27 HZ3 LYS 27 7.964 -10.299 2.058
202 H THR 28 H THR 28 8.356 -3.470 0.677
203 HA THR 28 HA THR 28 9.937 -2.735 3.032
204 HB THR 28 HB THR 28 9.978 -0.436 2.050
205 HG1 THR 28 HG1 THR 28 8.872 -0.002 0.323
206 HG21 THR 28 HG21 THR 28 11.435 -0.989 0.156
207 HG22 THR 28 HG22 THR 28 10.835 -2.648 0.185
208 HG23 THR 28 HG23 THR 28 11.770 -2.024 1.546
209 H ARG 29 H ARG 29 6.860 -2.385 1.631
210 HA ARG 29 HA ARG 29 4.865 -1.893 2.285
211 HB2 ARG 29 HB3 ARG 29 5.373 -3.663 3.950
212 HB3 ARG 29 HB2 ARG 29 5.761 -2.405 5.112
213 HG2 ARG 29 HG3 ARG 29 3.497 -1.567 5.004
214 HG3 ARG 29 HG2 ARG 29 3.090 -2.763 3.773
215 HD2 ARG 29 HD3 ARG 29 3.619 -4.550 5.349
216 HD3 ARG 29 HD2 ARG 29 3.981 -3.344 6.583
217 HE ARG 29 HE ARG 29 1.376 -2.971 5.525
218 HH11 ARG 29 HH11 ARG 29 3.138 -5.094 7.754
219 HH12 ARG 29 HH12 ARG 29 1.773 -5.468 8.677
220 HH21 ARG 29 HH21 ARG 29 -0.462 -3.445 6.799
221 HH22 ARG 29 HH22 ARG 29 -0.321 -4.504 8.130
222 H TRP 30 H TRP 30 5.649 0.166 1.520
223 HA TRP 30 HA TRP 30 4.244 2.160 2.996
224 HB2 TRP 30 HB3 TRP 30 5.941 3.909 2.587
225 HB3 TRP 30 HB2 TRP 30 6.398 2.821 3.864
226 HD1 TRP 30 HD1 TRP 30 7.171 3.523 0.124
227 HE1 TRP 30 HE1 TRP 30 9.631 2.956 -0.336
228 HE3 TRP 30 HE3 TRP 30 8.420 1.635 4.698
229 HZ2 TRP 30 HZ2 TRP 30 11.835 1.855 1.070
230 HZ3 TRP 30 HZ3 TRP 30 10.728 0.856 5.068
231 HH2 TRP 30 HH2 TRP 30 12.396 0.966 3.284
232 H CYS 31 H CYS 31 3.991 3.960 1.646
233 HA CYS 31 HA CYS 31 3.329 2.711 -0.883
234 HB2 CYS 31 HB3 CYS 31 1.522 3.639 0.659
235 HB3 CYS 31 HB2 CYS 31 2.037 5.228 0.100
236 H LYS 32 H LYS 32 3.714 3.612 -2.881
237 HA LYS 32 HA LYS 32 5.231 6.085 -2.908
238 HB2 LYS 32 HB3 LYS 32 6.991 5.090 -4.350
239 HB3 LYS 32 HB2 LYS 32 6.991 4.460 -2.706
240 HG2 LYS 32 HG3 LYS 32 5.842 2.517 -3.410
241 HG3 LYS 32 HG2 LYS 32 5.727 3.108 -5.057
242 HD2 LYS 32 HD3 LYS 32 8.197 3.131 -5.213
243 HD3 LYS 32 HD2 LYS 32 8.283 2.452 -3.586
244 HE2 LYS 32 HE3 LYS 32 8.528 0.731 -5.336
245 HE3 LYS 32 HE2 LYS 32 7.125 0.462 -4.307
246 HZ1 LYS 32 HZ1 LYS 32 7.032 1.720 -7.005
247 HZ2 LYS 32 HZ2 LYS 32 5.714 1.386 -6.015
248 HZ3 LYS 32 HZ3 LYS 32 6.610 0.125 -6.649
249 H TRP 33 H TRP 33 4.818 7.262 -4.569
250 HA TRP 33 HA TRP 33 3.089 6.240 -6.639
251 HB2 TRP 33 HB3 TRP 33 2.626 8.582 -7.120
252 HB3 TRP 33 HB2 TRP 33 2.273 8.174 -5.451
253 HD1 TRP 33 HD1 TRP 33 4.916 8.867 -3.932
254 HE1 TRP 33 HE1 TRP 33 5.880 11.251 -3.947
255 HE3 TRP 33 HE3 TRP 33 2.556 10.718 -8.066
256 HZ2 TRP 33 HZ2 TRP 33 5.660 13.576 -5.431
257 HZ3 TRP 33 HZ3 TRP 33 2.978 13.047 -8.699
258 HH2 TRP 33 HH2 TRP 33 4.500 14.449 -7.398
259 H GLN 34 H GLN 34 5.841 8.192 -6.284
260 HA GLN 34 HA GLN 34 6.964 6.939 -8.683
261 HB2 GLN 34 HB3 GLN 34 7.892 9.056 -9.562
262 HB3 GLN 34 HB2 GLN 34 6.139 9.108 -9.431
263 HG2 GLN 34 HG3 GLN 34 6.267 10.518 -7.517
264 HG3 GLN 34 HG2 GLN 34 8.023 10.360 -7.464
265 HE21 GLN 34 HE21 GLN 34 9.267 11.421 -9.022
266 HE22 GLN 34 HE22 GLN 34 8.618 12.683 -9.991
267 H ILE 35 H ILE 35 7.672 8.854 -5.821
268 HA ILE 35 HA ILE 35 10.351 7.769 -5.838
269 HB ILE 35 HB ILE 35 10.719 9.337 -3.868
270 HG12 ILE 35 HG12 ILE 35 8.042 10.465 -4.771
271 HG13 ILE 35 HG11 ILE 35 8.347 9.666 -3.235
272 HG21 ILE 35 HG21 ILE 35 11.517 9.852 -6.094
273 HG22 ILE 35 HG22 ILE 35 10.954 11.320 -5.294
274 HG23 ILE 35 HG23 ILE 35 9.953 10.545 -6.520
275 HD11 ILE 35 HD11 ILE 35 9.552 12.262 -4.160
276 HD12 ILE 35 HD12 ILE 35 9.877 11.469 -2.619
277 HD13 ILE 35 HD13 ILE 35 8.259 12.076 -2.975
278 HN1 NH2 36 HN1 NH2 36 10.247 5.749 -5.178
279 HN2 NH2 36 HN2 NH2 36 9.546 5.210 -3.693
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 -10.511 10.833 0.239
2 H2 GLY 1 H2 GLY 1 -10.073 9.699 -0.942
3 H3 GLY 1 H3 GLY 1 -8.922 10.777 -0.350
4 HA2 GLY 1 HA2 GLY 1 -9.126 9.742 1.840
5 HA3 GLY 1 HA3 GLY 1 -10.257 8.605 1.124
6 H CYS 2 H CYS 2 -6.988 9.407 1.608
7 HA CYS 2 HA CYS 2 -6.189 6.992 0.148
8 HB2 CYS 2 HB3 CYS 2 -4.710 9.614 0.099
9 HB3 CYS 2 HB2 CYS 2 -4.178 8.102 -0.561
10 H LEU 3 H LEU 3 -3.879 6.474 0.761
11 HA LEU 3 HA LEU 3 -3.387 6.927 3.593
12 HB2 LEU 3 HB3 LEU 3 -2.095 5.068 1.580
13 HB3 LEU 3 HB2 LEU 3 -1.667 5.172 3.269
14 HG LEU 3 HG LEU 3 -4.293 4.191 2.167
15 HD11 LEU 3 HD11 LEU 3 -2.000 2.737 3.472
16 HD12 LEU 3 HD12 LEU 3 -2.460 2.640 1.773
17 HD13 LEU 3 HD13 LEU 3 -3.542 2.017 3.019
18 HD21 LEU 3 HD21 LEU 3 -4.762 3.524 4.486
19 HD22 LEU 3 HD22 LEU 3 -4.609 5.269 4.319
20 HD23 LEU 3 HD23 LEU 3 -3.283 4.332 5.009
21 H GLY 4 H GLY 4 -0.778 6.794 3.648
22 HA2 GLY 4 HA3 GLY 4 0.118 9.079 2.006
23 HA3 GLY 4 HA2 GLY 4 0.614 8.857 3.689
24 H ILE 5 H ILE 5 2.477 9.188 1.859
25 HA ILE 5 HA ILE 5 3.284 6.843 0.598
26 HB ILE 5 HB ILE 5 3.993 8.981 -0.283
27 HG12 ILE 5 HG13 ILE 5 6.256 7.460 0.890
28 HG13 ILE 5 HG12 ILE 5 5.420 7.109 -0.627
29 HG21 ILE 5 HG21 ILE 5 5.465 9.410 2.312
30 HG22 ILE 5 HG22 ILE 5 4.048 10.299 1.756
31 HG23 ILE 5 HG23 ILE 5 5.576 10.444 0.891
32 HD11 ILE 5 HD11 ILE 5 7.593 8.186 -1.071
33 HD12 ILE 5 HD12 ILE 5 7.129 9.543 -0.048
34 HD13 ILE 5 HD13 ILE 5 6.269 9.247 -1.556
35 H TRP 6 H TRP 6 3.955 8.105 3.659
36 HA TRP 6 HA TRP 6 5.810 5.979 4.112
37 HB2 TRP 6 HB3 TRP 6 5.098 8.353 5.709
38 HB3 TRP 6 HB2 TRP 6 6.221 7.122 6.303
39 HD1 TRP 6 HD1 TRP 6 6.291 10.315 4.610
40 HE1 TRP 6 HE1 TRP 6 8.501 10.673 3.292
41 HE3 TRP 6 HE3 TRP 6 8.029 5.524 4.616
42 HZ2 TRP 6 HZ2 TRP 6 10.654 9.123 2.382
43 HZ3 TRP 6 HZ3 TRP 6 10.157 5.033 3.496
44 HH2 TRP 6 HH2 TRP 6 11.443 6.808 2.397
45 H LYS 7 H LYS 7 2.766 5.827 3.993
46 HA LYS 7 HA LYS 7 2.311 4.859 6.674
47 HB2 LYS 7 HB3 LYS 7 0.438 5.600 4.482
48 HB3 LYS 7 HB2 LYS 7 -0.045 4.826 5.970
49 HG2 LYS 7 HG3 LYS 7 0.993 6.797 7.186
50 HG3 LYS 7 HG2 LYS 7 1.129 7.576 5.608
51 HD2 LYS 7 HD3 LYS 7 -1.316 7.316 5.318
52 HD3 LYS 7 HD2 LYS 7 -1.405 6.631 6.940
53 HE2 LYS 7 HE3 LYS 7 -0.444 8.747 7.822
54 HE3 LYS 7 HE2 LYS 7 -0.512 9.400 6.185
55 HZ1 LYS 7 HZ1 LYS 7 -2.815 8.510 7.818
56 HZ2 LYS 7 HZ2 LYS 7 -2.919 8.950 6.219
57 HZ3 LYS 7 HZ3 LYS 7 -2.463 10.103 7.363
58 H ALA 8 H ALA 8 1.629 2.866 7.023
59 HA ALA 8 HA ALA 8 2.481 0.869 5.207
60 HB1 ALA 8 HB1 ALA 8 0.931 0.591 7.780
61 HB2 ALA 8 HB2 ALA 8 2.686 0.595 7.633
62 HB3 ALA 8 HB3 ALA 8 1.744 -0.713 6.916
63 H CYS 9 H CYS 9 1.408 0.158 3.598
64 HA CYS 9 HA CYS 9 -1.482 0.384 3.385
65 HB2 CYS 9 HB3 CYS 9 -0.932 -0.522 1.097
66 HB3 CYS 9 HB2 CYS 9 -0.399 1.108 1.433
67 H ASN 10 H ASN 10 -2.151 -1.692 1.839
68 HA ASN 10 HA ASN 10 -1.651 -3.985 3.548
69 HB2 ASN 10 HB3 ASN 10 -3.767 -3.423 1.481
70 HB3 ASN 10 HB2 ASN 10 -3.571 -4.925 2.340
71 HD21 ASN 10 HD21 ASN 10 -5.491 -4.945 3.335
72 HD22 ASN 10 HD22 ASN 10 -6.035 -3.778 4.484
73 HA PRO 11 HA PRO 11 1.150 -4.972 0.046
74 HB2 PRO 11 HB3 PRO 11 1.304 -7.440 1.699
75 HB3 PRO 11 HB2 PRO 11 2.605 -6.503 0.964
76 HG2 PRO 11 HG3 PRO 11 2.191 -6.293 3.557
77 HG3 PRO 11 HG2 PRO 11 2.472 -4.822 2.605
78 HD2 PRO 11 HD3 PRO 11 -0.100 -5.945 3.639
79 HD3 PRO 11 HD2 PRO 11 0.471 -4.262 3.628
80 H SER 12 H SER 12 -1.224 -7.033 1.480
81 HA SER 12 HA SER 12 -1.371 -8.752 -0.849
82 HB2 SER 12 HB3 SER 12 -1.489 -9.539 1.566
83 HB3 SER 12 HB2 SER 12 -3.101 -8.818 1.596
84 HG SER 12 HG SER 12 -3.695 -10.669 0.858
85 H ASN 13 H ASN 13 -2.777 -5.798 0.044
86 HA ASN 13 HA ASN 13 -4.996 -6.208 -1.763
87 HB2 ASN 13 HB3 ASN 13 -5.346 -5.184 1.079
88 HB3 ASN 13 HB2 ASN 13 -6.553 -4.999 -0.180
89 HD21 ASN 13 HD21 ASN 13 -7.763 -6.784 -0.781
90 HD22 ASN 13 HD22 ASN 13 -7.770 -8.264 0.094
91 H ASP 14 H ASP 14 -3.580 -5.051 -3.002
92 HA ASP 14 HA ASP 14 -2.439 -2.657 -2.193
93 HB2 ASP 14 HB3 ASP 14 -1.421 -3.948 -3.926
94 HB3 ASP 14 HB2 ASP 14 -2.859 -3.825 -4.936
95 H GLN 15 H GLN 15 -3.354 -0.753 -2.030
96 HA GLN 15 HA GLN 15 -5.456 0.099 -3.837
97 HB2 GLN 15 HB3 GLN 15 -6.733 -0.945 -2.105
98 HB3 GLN 15 HB2 GLN 15 -5.800 -0.166 -0.855
99 HG2 GLN 15 HG3 GLN 15 -6.769 1.996 -1.504
100 HG3 GLN 15 HG2 GLN 15 -7.714 1.178 -2.752
101 HE21 GLN 15 HE21 GLN 15 -8.519 2.671 -0.294
102 HE22 GLN 15 HE22 GLN 15 -9.541 1.583 0.552
103 H CYS 16 H CYS 16 -4.343 1.315 -0.675
104 HA CYS 16 HA CYS 16 -3.585 3.394 -0.028
105 HB2 CYS 16 HB3 CYS 16 -1.552 2.264 -0.975
106 HB3 CYS 16 HB2 CYS 16 -1.881 3.055 -2.513
107 H CYS 17 H CYS 17 -2.526 5.206 -2.331
108 HA CYS 17 HA CYS 17 -5.058 6.648 -2.483
109 HB2 CYS 17 HB3 CYS 17 -2.799 7.784 -1.849
110 HB3 CYS 17 HB2 CYS 17 -2.492 7.605 -3.571
111 H LYS 18 H LYS 18 -6.209 6.152 -4.098
112 HA LYS 18 HA LYS 18 -5.211 5.100 -6.595
113 HB2 LYS 18 HB3 LYS 18 -7.961 6.221 -6.118
114 HB3 LYS 18 HB2 LYS 18 -7.494 5.011 -7.298
115 HG2 LYS 18 HG3 LYS 18 -7.097 3.415 -5.519
116 HG3 LYS 18 HG2 LYS 18 -7.527 4.623 -4.312
117 HD2 LYS 18 HD3 LYS 18 -9.729 4.822 -5.660
118 HD3 LYS 18 HD2 LYS 18 -9.253 3.260 -6.329
119 HE2 LYS 18 HE3 LYS 18 -10.680 2.844 -4.466
120 HE3 LYS 18 HE2 LYS 18 -9.036 2.422 -3.984
121 HZ1 LYS 18 HZ1 LYS 18 -10.186 3.700 -2.263
122 HZ2 LYS 18 HZ2 LYS 18 -10.414 4.961 -3.350
123 HZ3 LYS 18 HZ3 LYS 18 -8.868 4.575 -2.850
124 H SER 19 H SER 19 -6.286 8.072 -5.304
125 HA SER 19 HA SER 19 -6.711 9.608 -7.589
126 HB2 SER 19 HB3 SER 19 -5.723 10.604 -4.924
127 HB3 SER 19 HB2 SER 19 -6.753 11.446 -6.084
128 HG SER 19 HG SER 19 -8.252 9.586 -5.707
129 H SER 20 H SER 20 -3.732 8.911 -5.752
130 HA SER 20 HA SER 20 -2.273 10.711 -7.546
131 HB2 SER 20 HB3 SER 20 -1.495 9.555 -4.915
132 HB3 SER 20 HB2 SER 20 -0.575 10.747 -5.858
133 HG SER 20 HG SER 20 -2.827 11.860 -5.667
134 H LYS 21 H LYS 21 -3.068 7.568 -7.230
135 HA LYS 21 HA LYS 21 -2.412 5.682 -8.056
136 HB2 LYS 21 HB3 LYS 21 -0.427 7.336 -9.619
137 HB3 LYS 21 HB2 LYS 21 -0.870 5.666 -9.978
138 HG2 LYS 21 HG3 LYS 21 -2.773 7.950 -9.879
139 HG3 LYS 21 HG2 LYS 21 -2.040 7.367 -11.385
140 HD2 LYS 21 HD3 LYS 21 -3.068 5.160 -11.017
141 HD3 LYS 21 HD2 LYS 21 -3.765 5.728 -9.503
142 HE2 LYS 21 HE3 LYS 21 -5.084 7.367 -10.717
143 HE3 LYS 21 HE2 LYS 21 -4.384 6.816 -12.237
144 HZ1 LYS 21 HZ1 LYS 21 -6.555 5.801 -11.847
145 HZ2 LYS 21 HZ2 LYS 21 -6.014 5.145 -10.395
146 HZ3 LYS 21 HZ3 LYS 21 -5.354 4.636 -11.835
147 H LEU 22 H LEU 22 -1.452 6.105 -5.571
148 HA LEU 22 HA LEU 22 1.307 5.384 -5.592
149 HB2 LEU 22 HB3 LEU 22 -0.549 6.014 -3.331
150 HB3 LEU 22 HB2 LEU 22 1.176 5.816 -3.265
151 HG LEU 22 HG LEU 22 -0.346 8.121 -4.440
152 HD11 LEU 22 HD11 LEU 22 -0.039 8.246 -2.044
153 HD12 LEU 22 HD12 LEU 22 0.951 9.463 -2.865
154 HD13 LEU 22 HD13 LEU 22 1.701 8.000 -2.249
155 HD21 LEU 22 HD21 LEU 22 2.604 7.581 -4.647
156 HD22 LEU 22 HD22 LEU 22 1.839 9.118 -5.045
157 HD23 LEU 22 HD23 LEU 22 1.454 7.673 -5.981
158 H VAL 23 H VAL 23 1.713 3.484 -5.219
159 HA VAL 23 HA VAL 23 -0.441 1.544 -4.712
160 HB VAL 23 HB VAL 23 0.983 -0.146 -5.837
161 HG11 VAL 23 HG11 VAL 23 0.496 2.366 -7.445
162 HG12 VAL 23 HG12 VAL 23 -0.673 1.079 -7.148
163 HG13 VAL 23 HG13 VAL 23 0.761 0.761 -8.123
164 HG21 VAL 23 HG21 VAL 23 2.979 0.566 -7.064
165 HG22 VAL 23 HG22 VAL 23 3.152 0.852 -5.331
166 HG23 VAL 23 HG23 VAL 23 2.793 2.195 -6.414
167 H CYS 24 H CYS 24 0.597 -0.629 -3.802
168 HA CYS 24 HA CYS 24 1.778 0.228 -1.287
169 HB2 CYS 24 HB3 CYS 24 -0.312 -1.092 -1.291
170 HB3 CYS 24 HB2 CYS 24 0.563 -2.427 -2.036
171 H SER 25 H SER 25 3.697 -0.570 -0.459
172 HA SER 25 HA SER 25 5.388 -2.010 -2.183
173 HB2 SER 25 HB3 SER 25 5.743 -0.709 0.495
174 HB3 SER 25 HB2 SER 25 7.031 -1.419 -0.458
175 HG SER 25 HG SER 25 5.499 0.857 -0.929
176 H ARG 26 H ARG 26 6.384 -3.988 -1.390
177 HA ARG 26 HA ARG 26 4.456 -5.494 0.247
178 HB2 ARG 26 HB3 ARG 26 4.904 -6.105 -2.142
179 HB3 ARG 26 HB2 ARG 26 6.530 -6.516 -1.605
180 HG2 ARG 26 HG3 ARG 26 5.690 -8.268 -0.182
181 HG3 ARG 26 HG2 ARG 26 4.023 -7.818 -0.549
182 HD2 ARG 26 HD3 ARG 26 4.438 -8.362 -2.923
183 HD3 ARG 26 HD2 ARG 26 6.061 -8.891 -2.496
184 HE ARG 26 HE ARG 26 4.378 -10.295 -0.876
185 HH11 ARG 26 HH11 ARG 26 4.930 -9.995 -4.364
186 HH12 ARG 26 HH12 ARG 26 4.265 -11.510 -4.749
187 HH21 ARG 26 HH21 ARG 26 3.458 -12.422 -1.428
188 HH22 ARG 26 HH22 ARG 26 3.425 -12.905 -3.057
189 H LYS 27 H LYS 27 7.916 -5.111 -0.339
190 HA LYS 27 HA LYS 27 8.742 -6.886 1.756
191 HB2 LYS 27 HB3 LYS 27 10.330 -4.714 0.374
192 HB3 LYS 27 HB2 LYS 27 10.964 -6.093 1.251
193 HG2 LYS 27 HG3 LYS 27 10.186 -7.598 -0.421
194 HG3 LYS 27 HG2 LYS 27 9.351 -6.292 -1.272
195 HD2 LYS 27 HD3 LYS 27 11.526 -5.210 -1.673
196 HD3 LYS 27 HD2 LYS 27 12.332 -6.557 -0.866
197 HE2 LYS 27 HE3 LYS 27 11.385 -8.096 -2.537
198 HE3 LYS 27 HE2 LYS 27 10.626 -6.727 -3.341
199 HZ1 LYS 27 HZ1 LYS 27 12.661 -7.380 -4.419
200 HZ2 LYS 27 HZ2 LYS 27 13.546 -7.100 -3.004
201 HZ3 LYS 27 HZ3 LYS 27 12.786 -5.815 -3.797
202 H THR 28 H THR 28 8.235 -3.534 1.290
203 HA THR 28 HA THR 28 9.313 -2.926 3.948
204 HB THR 28 HB THR 28 9.285 -0.547 3.079
205 HG1 THR 28 HG1 THR 28 8.752 -0.238 1.017
206 HG21 THR 28 HG21 THR 28 10.901 -2.623 1.592
207 HG22 THR 28 HG22 THR 28 11.315 -1.933 3.161
208 HG23 THR 28 HG23 THR 28 11.287 -0.908 1.724
209 H ARG 29 H ARG 29 6.457 -2.767 2.083
210 HA ARG 29 HA ARG 29 4.379 -2.137 2.382
211 HB2 ARG 29 HB3 ARG 29 4.472 -3.880 4.020
212 HB3 ARG 29 HB2 ARG 29 4.997 -2.755 5.255
213 HG2 ARG 29 HG3 ARG 29 2.870 -1.586 5.079
214 HG3 ARG 29 HG2 ARG 29 2.353 -2.727 3.832
215 HD2 ARG 29 HD3 ARG 29 1.446 -3.461 5.900
216 HD3 ARG 29 HD2 ARG 29 2.764 -4.535 5.404
217 HE ARG 29 HE ARG 29 4.002 -2.769 7.011
218 HH11 ARG 29 HH11 ARG 29 1.160 -4.838 7.470
219 HH12 ARG 29 HH12 ARG 29 1.398 -5.012 9.145
220 HH21 ARG 29 HH21 ARG 29 4.314 -3.022 9.289
221 HH22 ARG 29 HH22 ARG 29 3.225 -3.938 10.217
222 H TRP 30 H TRP 30 4.577 -0.135 1.672
223 HA TRP 30 HA TRP 30 3.432 1.885 3.165
224 HB2 TRP 30 HB3 TRP 30 5.187 3.609 2.806
225 HB3 TRP 30 HB2 TRP 30 5.598 2.497 4.077
226 HD1 TRP 30 HD1 TRP 30 6.318 2.620 0.240
227 HE1 TRP 30 HE1 TRP 30 8.813 2.251 -0.143
228 HE3 TRP 30 HE3 TRP 30 7.789 2.090 5.090
229 HZ2 TRP 30 HZ2 TRP 30 11.141 1.824 1.411
230 HZ3 TRP 30 HZ3 TRP 30 10.181 1.717 5.563
231 HH2 TRP 30 HH2 TRP 30 11.816 1.587 3.761
232 H CYS 31 H CYS 31 3.502 3.849 1.692
233 HA CYS 31 HA CYS 31 2.572 2.665 -0.708
234 HB2 CYS 31 HB3 CYS 31 2.208 5.252 0.663
235 HB3 CYS 31 HB2 CYS 31 1.759 5.094 -1.037
236 H LYS 32 H LYS 32 3.375 3.025 -2.667
237 HA LYS 32 HA LYS 32 6.054 4.125 -2.779
238 HB2 LYS 32 HB3 LYS 32 4.417 2.874 -4.989
239 HB3 LYS 32 HB2 LYS 32 6.122 3.298 -5.052
240 HG2 LYS 32 HG3 LYS 32 6.548 1.670 -3.269
241 HG3 LYS 32 HG2 LYS 32 4.855 1.198 -3.348
242 HD2 LYS 32 HD3 LYS 32 5.139 0.565 -5.705
243 HD3 LYS 32 HD2 LYS 32 6.826 1.055 -5.628
244 HE2 LYS 32 HE3 LYS 32 5.540 -1.136 -4.021
245 HE3 LYS 32 HE2 LYS 32 6.587 -1.364 -5.415
246 HZ1 LYS 32 HZ1 LYS 32 7.851 -1.665 -3.406
247 HZ2 LYS 32 HZ2 LYS 32 7.376 -0.170 -2.800
248 HZ3 LYS 32 HZ3 LYS 32 8.375 -0.250 -4.149
249 H TRP 33 H TRP 33 6.605 5.732 -4.158
250 HA TRP 33 HA TRP 33 4.534 7.694 -4.345
251 HB2 TRP 33 HB3 TRP 33 6.811 8.194 -3.414
252 HB3 TRP 33 HB2 TRP 33 7.457 7.981 -5.036
253 HD1 TRP 33 HD1 TRP 33 7.727 10.109 -6.290
254 HE1 TRP 33 HE1 TRP 33 6.655 12.445 -6.301
255 HE3 TRP 33 HE3 TRP 33 4.214 9.357 -2.692
256 HZ2 TRP 33 HZ2 TRP 33 4.571 13.796 -4.928
257 HZ3 TRP 33 HZ3 TRP 33 2.719 11.212 -2.089
258 HH2 TRP 33 HH2 TRP 33 2.897 13.379 -3.186
259 H GLN 34 H GLN 34 4.424 9.032 -6.341
260 HA GLN 34 HA GLN 34 3.602 7.391 -8.469
261 HB2 GLN 34 HB3 GLN 34 3.078 9.520 -9.622
262 HB3 GLN 34 HB2 GLN 34 2.411 9.411 -8.001
263 HG2 GLN 34 HG3 GLN 34 4.293 10.801 -7.182
264 HG3 GLN 34 HG2 GLN 34 4.844 10.970 -8.846
265 HE21 GLN 34 HE21 GLN 34 4.581 13.201 -8.732
266 HE22 GLN 34 HE22 GLN 34 3.020 13.932 -8.801
267 H ILE 35 H ILE 35 6.596 8.961 -7.848
268 HA ILE 35 HA ILE 35 7.471 8.104 -10.490
269 HB ILE 35 HB ILE 35 9.333 9.800 -10.358
270 HG12 ILE 35 HG12 ILE 35 7.670 11.027 -8.149
271 HG13 ILE 35 HG11 ILE 35 9.208 10.200 -7.898
272 HG21 ILE 35 HG21 ILE 35 6.523 10.869 -10.415
273 HG22 ILE 35 HG22 ILE 35 7.427 10.185 -11.765
274 HG23 ILE 35 HG23 ILE 35 7.945 11.706 -11.037
275 HD11 ILE 35 HD11 ILE 35 10.324 11.899 -9.248
276 HD12 ILE 35 HD12 ILE 35 9.460 12.606 -7.879
277 HD13 ILE 35 HD13 ILE 35 8.774 12.706 -9.501
278 HN1 NH2 36 HN1 NH2 36 8.242 6.186 -10.151
279 HN2 NH2 36 HN2 NH2 36 9.429 5.758 -8.973
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 -9.243 10.902 2.006
2 H2 GLY 1 H2 GLY 1 -8.960 10.218 3.516
3 H3 GLY 1 H3 GLY 1 -10.519 10.193 2.872
4 HA2 GLY 1 HA2 GLY 1 -9.450 8.045 2.682
5 HA3 GLY 1 HA3 GLY 1 -9.734 8.744 1.091
6 H CYS 2 H CYS 2 -7.996 7.079 0.666
7 HA CYS 2 HA CYS 2 -5.996 6.582 -0.056
8 HB2 CYS 2 HB3 CYS 2 -5.302 9.461 0.469
9 HB3 CYS 2 HB2 CYS 2 -4.315 8.290 -0.360
10 H LEU 3 H LEU 3 -3.622 6.593 0.526
11 HA LEU 3 HA LEU 3 -3.215 6.686 3.382
12 HB2 LEU 3 HB3 LEU 3 -2.161 4.710 1.353
13 HB3 LEU 3 HB2 LEU 3 -1.627 4.823 3.012
14 HG LEU 3 HG LEU 3 -4.399 4.025 2.103
15 HD11 LEU 3 HD11 LEU 3 -2.743 2.322 1.621
16 HD12 LEU 3 HD12 LEU 3 -3.784 1.819 2.955
17 HD13 LEU 3 HD13 LEU 3 -2.156 2.409 3.280
18 HD21 LEU 3 HD21 LEU 3 -4.773 3.442 4.457
19 HD22 LEU 3 HD22 LEU 3 -4.471 5.164 4.254
20 HD23 LEU 3 HD23 LEU 3 -3.195 4.113 4.872
21 H GLY 4 H GLY 4 -0.966 7.082 3.800
22 HA2 GLY 4 HA3 GLY 4 0.115 9.008 1.889
23 HA3 GLY 4 HA2 GLY 4 0.559 8.877 3.591
24 H ILE 5 H ILE 5 2.451 9.195 1.891
25 HA ILE 5 HA ILE 5 3.407 6.923 0.635
26 HB ILE 5 HB ILE 5 4.112 9.096 -0.120
27 HG12 ILE 5 HG13 ILE 5 6.345 7.611 1.164
28 HG13 ILE 5 HG12 ILE 5 5.654 7.320 -0.438
29 HG21 ILE 5 HG21 ILE 5 3.946 10.337 1.954
30 HG22 ILE 5 HG22 ILE 5 5.521 10.586 1.207
31 HG23 ILE 5 HG23 ILE 5 5.366 9.502 2.588
32 HD11 ILE 5 HD11 ILE 5 6.473 9.558 -1.150
33 HD12 ILE 5 HD12 ILE 5 7.793 8.496 -0.663
34 HD13 ILE 5 HD13 ILE 5 7.229 9.759 0.430
35 H TRP 6 H TRP 6 3.861 8.014 3.805
36 HA TRP 6 HA TRP 6 5.681 5.832 4.173
37 HB2 TRP 6 HB3 TRP 6 5.112 8.226 5.799
38 HB3 TRP 6 HB2 TRP 6 6.145 6.916 6.394
39 HD1 TRP 6 HD1 TRP 6 6.415 10.105 4.560
40 HE1 TRP 6 HE1 TRP 6 8.658 10.283 3.294
41 HE3 TRP 6 HE3 TRP 6 7.935 5.250 4.919
42 HZ2 TRP 6 HZ2 TRP 6 10.790 8.578 2.568
43 HZ3 TRP 6 HZ3 TRP 6 10.066 4.604 3.917
44 HH2 TRP 6 HH2 TRP 6 11.472 6.237 2.764
45 H LYS 7 H LYS 7 2.667 5.837 4.015
46 HA LYS 7 HA LYS 7 2.082 4.940 6.694
47 HB2 LYS 7 HB3 LYS 7 0.371 5.691 4.397
48 HB3 LYS 7 HB2 LYS 7 -0.262 4.635 5.639
49 HG2 LYS 7 HG3 LYS 7 0.485 6.466 7.290
50 HG3 LYS 7 HG2 LYS 7 0.667 7.492 5.869
51 HD2 LYS 7 HD3 LYS 7 -1.701 7.146 5.311
52 HD3 LYS 7 HD2 LYS 7 -1.867 6.074 6.689
53 HE2 LYS 7 HE3 LYS 7 -1.177 9.013 6.818
54 HE3 LYS 7 HE2 LYS 7 -2.754 8.311 7.151
55 HZ1 LYS 7 HZ1 LYS 7 -0.259 7.853 8.705
56 HZ2 LYS 7 HZ2 LYS 7 -1.726 7.093 9.019
57 HZ3 LYS 7 HZ3 LYS 7 -1.595 8.749 9.201
58 H ALA 8 H ALA 8 1.032 3.008 7.091
59 HA ALA 8 HA ALA 8 2.240 0.862 5.614
60 HB1 ALA 8 HB1 ALA 8 1.439 -0.547 7.446
61 HB2 ALA 8 HB2 ALA 8 0.562 0.825 8.124
62 HB3 ALA 8 HB3 ALA 8 2.324 0.848 8.061
63 H CYS 9 H CYS 9 1.245 0.246 3.893
64 HA CYS 9 HA CYS 9 -1.646 0.248 3.694
65 HB2 CYS 9 HB3 CYS 9 -1.013 -0.510 1.355
66 HB3 CYS 9 HB2 CYS 9 -0.666 1.152 1.772
67 H ASN 10 H ASN 10 -2.165 -1.777 2.091
68 HA ASN 10 HA ASN 10 -1.357 -4.114 3.611
69 HB2 ASN 10 HB3 ASN 10 -3.763 -3.508 1.924
70 HB3 ASN 10 HB2 ASN 10 -3.346 -5.107 2.486
71 HD21 ASN 10 HD21 ASN 10 -5.733 -3.753 2.981
72 HD22 ASN 10 HD22 ASN 10 -5.867 -3.507 4.691
73 HA PRO 11 HA PRO 11 0.872 -4.886 -0.327
74 HB2 PRO 11 HB3 PRO 11 1.472 -7.320 1.275
75 HB3 PRO 11 HB2 PRO 11 2.551 -6.318 0.312
76 HG2 PRO 11 HG3 PRO 11 2.622 -6.129 2.953
77 HG3 PRO 11 HG2 PRO 11 2.686 -4.654 1.967
78 HD2 PRO 11 HD3 PRO 11 0.377 -5.829 3.464
79 HD3 PRO 11 HD2 PRO 11 0.871 -4.130 3.313
80 H SER 12 H SER 12 -1.080 -6.920 1.623
81 HA SER 12 HA SER 12 -1.792 -8.941 -0.250
82 HB2 SER 12 HB3 SER 12 -1.961 -9.175 2.231
83 HB3 SER 12 HB2 SER 12 -3.283 -8.007 2.206
84 HG SER 12 HG SER 12 -4.585 -9.514 1.610
85 H ASN 13 H ASN 13 -2.944 -5.680 0.266
86 HA ASN 13 HA ASN 13 -5.064 -6.052 -1.627
87 HB2 ASN 13 HB3 ASN 13 -5.499 -5.438 1.275
88 HB3 ASN 13 HB2 ASN 13 -6.526 -4.636 0.104
89 HD21 ASN 13 HD21 ASN 13 -6.962 -6.778 2.203
90 HD22 ASN 13 HD22 ASN 13 -7.808 -8.015 1.363
91 H ASP 14 H ASP 14 -3.648 -4.912 -2.802
92 HA ASP 14 HA ASP 14 -2.524 -2.516 -1.950
93 HB2 ASP 14 HB3 ASP 14 -1.380 -3.777 -3.594
94 HB3 ASP 14 HB2 ASP 14 -2.757 -3.759 -4.682
95 H GLN 15 H GLN 15 -3.360 -0.525 -2.006
96 HA GLN 15 HA GLN 15 -5.224 0.270 -4.048
97 HB2 GLN 15 HB3 GLN 15 -6.705 -0.589 -2.244
98 HB3 GLN 15 HB2 GLN 15 -5.963 0.547 -1.124
99 HG2 GLN 15 HG3 GLN 15 -6.683 2.381 -2.671
100 HG3 GLN 15 HG2 GLN 15 -7.614 1.170 -3.547
101 HE21 GLN 15 HE21 GLN 15 -8.476 3.533 -2.156
102 HE22 GLN 15 HE22 GLN 15 -9.595 3.027 -0.955
103 H CYS 16 H CYS 16 -4.267 1.450 -0.830
104 HA CYS 16 HA CYS 16 -3.461 3.462 -0.097
105 HB2 CYS 16 HB3 CYS 16 -1.465 2.390 -1.191
106 HB3 CYS 16 HB2 CYS 16 -1.832 3.302 -2.651
107 H CYS 17 H CYS 17 -2.515 5.525 -2.168
108 HA CYS 17 HA CYS 17 -5.163 6.696 -2.391
109 HB2 CYS 17 HB3 CYS 17 -2.987 8.010 -1.762
110 HB3 CYS 17 HB2 CYS 17 -2.715 7.930 -3.499
111 H LYS 18 H LYS 18 -6.323 6.307 -4.033
112 HA LYS 18 HA LYS 18 -5.272 5.148 -6.450
113 HB2 LYS 18 HB3 LYS 18 -8.061 5.889 -5.583
114 HB3 LYS 18 HB2 LYS 18 -7.686 5.143 -7.127
115 HG2 LYS 18 HG3 LYS 18 -6.965 3.147 -6.112
116 HG3 LYS 18 HG2 LYS 18 -6.876 3.901 -4.523
117 HD2 LYS 18 HD3 LYS 18 -8.840 2.436 -4.743
118 HD3 LYS 18 HD2 LYS 18 -9.270 4.115 -4.448
119 HE2 LYS 18 HE3 LYS 18 -9.760 4.397 -6.835
120 HE3 LYS 18 HE2 LYS 18 -9.324 2.710 -7.115
121 HZ1 LYS 18 HZ1 LYS 18 -11.728 3.026 -6.900
122 HZ2 LYS 18 HZ2 LYS 18 -11.526 3.614 -5.336
123 HZ3 LYS 18 HZ3 LYS 18 -11.124 2.021 -5.694
124 H SER 19 H SER 19 -6.275 8.211 -5.368
125 HA SER 19 HA SER 19 -6.573 9.386 -7.930
126 HB2 SER 19 HB3 SER 19 -5.994 10.719 -5.278
127 HB3 SER 19 HB2 SER 19 -6.530 11.540 -6.745
128 HG SER 19 HG SER 19 -8.054 9.387 -5.934
129 H SER 20 H SER 20 -3.831 9.043 -5.692
130 HA SER 20 HA SER 20 -2.210 10.773 -7.376
131 HB2 SER 20 HB3 SER 20 -1.575 9.361 -4.823
132 HB3 SER 20 HB2 SER 20 -0.608 10.625 -5.600
133 HG SER 20 HG SER 20 -3.016 11.601 -5.407
134 H LYS 21 H LYS 21 -2.974 7.540 -6.995
135 HA LYS 21 HA LYS 21 -2.367 5.724 -7.876
136 HB2 LYS 21 HB3 LYS 21 -0.399 7.290 -9.537
137 HB3 LYS 21 HB2 LYS 21 -0.913 5.631 -9.850
138 HG2 LYS 21 HG3 LYS 21 -2.714 8.005 -9.806
139 HG3 LYS 21 HG2 LYS 21 -2.002 7.362 -11.295
140 HD2 LYS 21 HD3 LYS 21 -3.119 5.188 -10.802
141 HD3 LYS 21 HD2 LYS 21 -3.889 5.941 -9.404
142 HE2 LYS 21 HE3 LYS 21 -4.225 6.819 -12.271
143 HE3 LYS 21 HE2 LYS 21 -5.375 5.855 -11.351
144 HZ1 LYS 21 HZ1 LYS 21 -4.552 8.639 -10.751
145 HZ2 LYS 21 HZ2 LYS 21 -5.600 7.706 -9.800
146 HZ3 LYS 21 HZ3 LYS 21 -6.044 8.134 -11.366
147 H LEU 22 H LEU 22 -1.451 5.620 -5.555
148 HA LEU 22 HA LEU 22 1.397 5.392 -5.557
149 HB2 LEU 22 HB3 LEU 22 -0.633 5.621 -3.378
150 HB3 LEU 22 HB2 LEU 22 1.094 5.518 -3.162
151 HG LEU 22 HG LEU 22 -0.444 7.814 -4.371
152 HD11 LEU 22 HD11 LEU 22 1.100 7.608 -1.790
153 HD12 LEU 22 HD12 LEU 22 -0.654 7.683 -1.957
154 HD13 LEU 22 HD13 LEU 22 0.335 9.069 -2.417
155 HD21 LEU 22 HD21 LEU 22 1.710 9.008 -4.424
156 HD22 LEU 22 HD22 LEU 22 1.702 7.599 -5.484
157 HD23 LEU 22 HD23 LEU 22 2.518 7.522 -3.920
158 H VAL 23 H VAL 23 2.093 3.487 -5.145
159 HA VAL 23 HA VAL 23 0.146 1.303 -4.887
160 HB VAL 23 HB VAL 23 1.174 1.183 -7.001
161 HG11 VAL 23 HG11 VAL 23 3.816 1.202 -5.574
162 HG12 VAL 23 HG12 VAL 23 3.189 2.447 -6.660
163 HG13 VAL 23 HG13 VAL 23 3.642 0.862 -7.295
164 HG21 VAL 23 HG21 VAL 23 2.368 -0.951 -5.247
165 HG22 VAL 23 HG22 VAL 23 2.269 -1.041 -7.005
166 HG23 VAL 23 HG23 VAL 23 0.793 -0.988 -6.041
167 H CYS 24 H CYS 24 0.657 -0.426 -3.659
168 HA CYS 24 HA CYS 24 2.077 0.376 -1.268
169 HB2 CYS 24 HB3 CYS 24 -0.137 -0.683 -1.103
170 HB3 CYS 24 HB2 CYS 24 0.528 -2.151 -1.822
171 H SER 25 H SER 25 3.999 -0.273 -0.733
172 HA SER 25 HA SER 25 5.399 -2.077 -2.376
173 HB2 SER 25 HB3 SER 25 6.562 -0.134 -1.434
174 HB3 SER 25 HB2 SER 25 6.250 -0.728 0.195
175 HG SER 25 HG SER 25 8.246 -1.413 -0.251
176 H ARG 26 H ARG 26 6.212 -4.070 -1.637
177 HA ARG 26 HA ARG 26 4.306 -5.361 0.171
178 HB2 ARG 26 HB3 ARG 26 4.509 -6.081 -2.199
179 HB3 ARG 26 HB2 ARG 26 6.184 -6.476 -1.806
180 HG2 ARG 26 HG3 ARG 26 5.550 -8.258 -0.375
181 HG3 ARG 26 HG2 ARG 26 3.856 -7.776 -0.402
182 HD2 ARG 26 HD3 ARG 26 5.423 -8.791 -2.773
183 HD3 ARG 26 HD2 ARG 26 4.281 -9.738 -1.825
184 HE ARG 26 HE ARG 26 3.153 -7.327 -2.863
185 HH11 ARG 26 HH11 ARG 26 3.915 -10.667 -3.741
186 HH12 ARG 26 HH12 ARG 26 2.659 -10.823 -4.869
187 HH21 ARG 26 HH21 ARG 26 1.457 -7.493 -4.423
188 HH22 ARG 26 HH22 ARG 26 1.223 -8.918 -5.303
189 H LYS 27 H LYS 27 7.708 -5.040 -0.562
190 HA LYS 27 HA LYS 27 8.492 -6.807 1.569
191 HB2 LYS 27 HB3 LYS 27 10.154 -4.925 -0.102
192 HB3 LYS 27 HB2 LYS 27 10.781 -6.143 0.994
193 HG2 LYS 27 HG3 LYS 27 9.180 -6.668 -1.502
194 HG3 LYS 27 HG2 LYS 27 10.926 -6.856 -1.332
195 HD2 LYS 27 HD3 LYS 27 10.478 -8.551 0.446
196 HD3 LYS 27 HD2 LYS 27 8.760 -8.423 0.060
197 HE2 LYS 27 HE3 LYS 27 10.946 -9.243 -1.851
198 HE3 LYS 27 HE2 LYS 27 9.800 -10.327 -1.066
199 HZ1 LYS 27 HZ1 LYS 27 9.045 -8.163 -2.976
200 HZ2 LYS 27 HZ2 LYS 27 8.009 -9.305 -2.294
201 HZ3 LYS 27 HZ3 LYS 27 9.199 -9.787 -3.356
202 H THR 28 H THR 28 7.970 -3.462 1.101
203 HA THR 28 HA THR 28 9.175 -3.022 3.766
204 HB THR 28 HB THR 28 9.517 -0.621 3.154
205 HG1 THR 28 HG1 THR 28 8.905 0.078 1.294
206 HG21 THR 28 HG21 THR 28 11.453 -1.051 1.738
207 HG22 THR 28 HG22 THR 28 10.837 -2.664 1.369
208 HG23 THR 28 HG23 THR 28 11.324 -2.260 3.017
209 H ARG 29 H ARG 29 6.290 -2.771 2.056
210 HA ARG 29 HA ARG 29 4.239 -2.131 2.518
211 HB2 ARG 29 HB3 ARG 29 4.541 -3.746 4.323
212 HB3 ARG 29 HB2 ARG 29 5.110 -2.464 5.378
213 HG2 ARG 29 HG3 ARG 29 2.924 -1.385 5.225
214 HG3 ARG 29 HG2 ARG 29 2.358 -2.707 4.198
215 HD2 ARG 29 HD3 ARG 29 2.840 -4.290 5.974
216 HD3 ARG 29 HD2 ARG 29 3.419 -2.964 6.984
217 HE ARG 29 HE ARG 29 0.707 -2.816 5.992
218 HH11 ARG 29 HH11 ARG 29 2.922 -3.446 8.694
219 HH12 ARG 29 HH12 ARG 29 1.723 -3.399 9.891
220 HH21 ARG 29 HH21 ARG 29 -0.965 -2.731 7.681
221 HH22 ARG 29 HH22 ARG 29 -0.540 -2.981 9.300
222 H TRP 30 H TRP 30 4.673 -0.133 1.613
223 HA TRP 30 HA TRP 30 3.527 1.978 3.016
224 HB2 TRP 30 HB3 TRP 30 5.321 3.656 2.683
225 HB3 TRP 30 HB2 TRP 30 5.652 2.548 3.982
226 HD1 TRP 30 HD1 TRP 30 6.554 2.427 0.162
227 HE1 TRP 30 HE1 TRP 30 9.128 2.081 -0.026
228 HE3 TRP 30 HE3 TRP 30 7.746 2.362 5.126
229 HZ2 TRP 30 HZ2 TRP 30 11.324 1.843 1.703
230 HZ3 TRP 30 HZ3 TRP 30 10.093 2.082 5.773
231 HH2 TRP 30 HH2 TRP 30 11.844 1.828 4.097
232 H CYS 31 H CYS 31 3.615 3.928 1.603
233 HA CYS 31 HA CYS 31 2.790 2.822 -0.869
234 HB2 CYS 31 HB3 CYS 31 2.281 5.320 0.627
235 HB3 CYS 31 HB2 CYS 31 1.875 5.230 -1.091
236 H LYS 32 H LYS 32 3.764 3.141 -2.699
237 HA LYS 32 HA LYS 32 6.314 4.474 -2.710
238 HB2 LYS 32 HB3 LYS 32 4.908 2.935 -4.898
239 HB3 LYS 32 HB2 LYS 32 6.596 3.444 -4.901
240 HG2 LYS 32 HG3 LYS 32 7.047 2.069 -2.985
241 HG3 LYS 32 HG2 LYS 32 5.364 1.593 -2.895
242 HD2 LYS 32 HD3 LYS 32 6.639 -0.200 -3.926
243 HD3 LYS 32 HD2 LYS 32 5.587 0.517 -5.135
244 HE2 LYS 32 HE3 LYS 32 7.505 1.840 -5.968
245 HE3 LYS 32 HE2 LYS 32 8.532 1.045 -4.778
246 HZ1 LYS 32 HZ1 LYS 32 8.715 -0.039 -6.937
247 HZ2 LYS 32 HZ2 LYS 32 7.051 -0.283 -6.969
248 HZ3 LYS 32 HZ3 LYS 32 7.984 -1.088 -5.825
249 H TRP 33 H TRP 33 6.650 6.331 -3.538
250 HA TRP 33 HA TRP 33 4.486 8.068 -3.990
251 HB2 TRP 33 HB3 TRP 33 6.751 8.599 -2.955
252 HB3 TRP 33 HB2 TRP 33 7.368 8.682 -4.596
253 HD1 TRP 33 HD1 TRP 33 3.948 10.127 -3.550
254 HE1 TRP 33 HE1 TRP 33 4.010 12.679 -3.904
255 HE3 TRP 33 HE3 TRP 33 8.885 10.685 -4.764
256 HZ2 TRP 33 HZ2 TRP 33 5.877 14.647 -4.556
257 HZ3 TRP 33 HZ3 TRP 33 9.728 12.954 -5.223
258 HH2 TRP 33 HH2 TRP 33 8.255 14.886 -5.122
259 H GLN 34 H GLN 34 4.023 9.335 -5.813
260 HA GLN 34 HA GLN 34 3.843 7.855 -8.223
261 HB2 GLN 34 HB3 GLN 34 2.763 9.966 -9.091
262 HB3 GLN 34 HB2 GLN 34 2.004 9.230 -7.685
263 HG2 GLN 34 HG3 GLN 34 3.160 10.891 -6.249
264 HG3 GLN 34 HG2 GLN 34 3.811 11.643 -7.699
265 HE21 GLN 34 HE21 GLN 34 1.350 11.267 -9.220
266 HE22 GLN 34 HE22 GLN 34 0.233 12.421 -8.600
267 H ILE 35 H ILE 35 6.219 9.845 -7.041
268 HA ILE 35 HA ILE 35 7.379 10.160 -9.700
269 HB ILE 35 HB ILE 35 7.941 11.791 -7.189
270 HG12 ILE 35 HG12 ILE 35 6.629 12.575 -9.803
271 HG13 ILE 35 HG11 ILE 35 5.790 12.323 -8.280
272 HG21 ILE 35 HG21 ILE 35 9.113 12.067 -9.960
273 HG22 ILE 35 HG22 ILE 35 9.972 11.500 -8.526
274 HG23 ILE 35 HG23 ILE 35 9.400 13.167 -8.612
275 HD11 ILE 35 HD11 ILE 35 6.071 14.683 -8.755
276 HD12 ILE 35 HD12 ILE 35 7.818 14.469 -8.863
277 HD13 ILE 35 HD13 ILE 35 6.993 14.229 -7.322
278 HN1 NH2 36 HN1 NH2 36 8.699 8.545 -10.018
279 HN2 NH2 36 HN2 NH2 36 9.717 7.776 -8.853
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 -11.090 9.475 0.799
2 H2 GLY 1 H2 GLY 1 -9.701 10.101 0.071
3 H3 GLY 1 H3 GLY 1 -9.719 9.860 1.735
4 HA2 GLY 1 HA2 GLY 1 -9.863 7.494 1.398
5 HA3 GLY 1 HA3 GLY 1 -9.799 7.785 -0.341
6 H CYS 2 H CYS 2 -7.841 6.614 -0.490
7 HA CYS 2 HA CYS 2 -5.679 6.399 -0.744
8 HB2 CYS 2 HB3 CYS 2 -5.485 9.298 0.047
9 HB3 CYS 2 HB2 CYS 2 -4.221 8.317 -0.649
10 H LEU 3 H LEU 3 -3.535 6.637 0.343
11 HA LEU 3 HA LEU 3 -3.714 6.642 3.245
12 HB2 LEU 3 HB3 LEU 3 -2.089 4.885 1.413
13 HB3 LEU 3 HB2 LEU 3 -1.864 4.993 3.140
14 HG LEU 3 HG LEU 3 -4.323 3.928 1.741
15 HD11 LEU 3 HD11 LEU 3 -3.606 1.781 2.621
16 HD12 LEU 3 HD12 LEU 3 -2.159 2.530 3.293
17 HD13 LEU 3 HD13 LEU 3 -2.386 2.461 1.545
18 HD21 LEU 3 HD21 LEU 3 -5.029 3.222 3.986
19 HD22 LEU 3 HD22 LEU 3 -4.906 4.974 3.868
20 HD23 LEU 3 HD23 LEU 3 -3.639 4.054 4.683
21 H GLY 4 H GLY 4 -1.155 6.619 3.785
22 HA2 GLY 4 HA3 GLY 4 -0.117 9.032 2.442
23 HA3 GLY 4 HA2 GLY 4 0.194 8.633 4.138
24 H ILE 5 H ILE 5 2.178 9.199 2.351
25 HA ILE 5 HA ILE 5 3.119 6.973 1.033
26 HB ILE 5 HB ILE 5 3.759 9.193 0.332
27 HG12 ILE 5 HG13 ILE 5 6.023 7.578 1.376
28 HG13 ILE 5 HG12 ILE 5 5.209 7.406 -0.182
29 HG21 ILE 5 HG21 ILE 5 5.277 10.605 1.614
30 HG22 ILE 5 HG22 ILE 5 5.243 9.442 2.939
31 HG23 ILE 5 HG23 ILE 5 3.777 10.315 2.499
32 HD11 ILE 5 HD11 ILE 5 6.051 9.657 -0.822
33 HD12 ILE 5 HD12 ILE 5 7.362 8.519 -0.498
34 HD13 ILE 5 HD13 ILE 5 6.925 9.728 0.707
35 H TRP 6 H TRP 6 3.862 8.141 4.145
36 HA TRP 6 HA TRP 6 5.797 6.083 4.531
37 HB2 TRP 6 HB3 TRP 6 4.790 8.254 6.283
38 HB3 TRP 6 HB2 TRP 6 5.954 7.051 6.855
39 HD1 TRP 6 HD1 TRP 6 5.819 10.321 5.115
40 HE1 TRP 6 HE1 TRP 6 8.107 10.881 4.079
41 HE3 TRP 6 HE3 TRP 6 8.046 5.789 5.630
42 HZ2 TRP 6 HZ2 TRP 6 10.544 9.558 3.564
43 HZ3 TRP 6 HZ3 TRP 6 10.334 5.494 4.850
44 HH2 TRP 6 HH2 TRP 6 11.574 7.350 3.829
45 H LYS 7 H LYS 7 2.664 5.785 4.381
46 HA LYS 7 HA LYS 7 2.265 4.628 6.982
47 HB2 LYS 7 HB3 LYS 7 0.404 5.211 4.736
48 HB3 LYS 7 HB2 LYS 7 -0.052 4.369 6.192
49 HG2 LYS 7 HG3 LYS 7 0.707 6.377 7.503
50 HG3 LYS 7 HG2 LYS 7 0.902 7.217 5.966
51 HD2 LYS 7 HD3 LYS 7 -1.459 6.910 5.474
52 HD3 LYS 7 HD2 LYS 7 -1.668 5.995 6.964
53 HE2 LYS 7 HE3 LYS 7 -2.456 8.227 7.311
54 HE3 LYS 7 HE2 LYS 7 -0.973 8.011 8.234
55 HZ1 LYS 7 HZ1 LYS 7 -1.194 9.382 5.605
56 HZ2 LYS 7 HZ2 LYS 7 0.233 9.266 6.531
57 HZ3 LYS 7 HZ3 LYS 7 -1.092 10.128 7.097
58 H ALA 8 H ALA 8 1.883 2.616 7.320
59 HA ALA 8 HA ALA 8 2.867 0.728 5.395
60 HB1 ALA 8 HB1 ALA 8 3.415 0.474 7.773
61 HB2 ALA 8 HB2 ALA 8 2.531 -0.931 7.175
62 HB3 ALA 8 HB3 ALA 8 1.704 0.285 8.148
63 H CYS 9 H CYS 9 1.634 -0.022 3.883
64 HA CYS 9 HA CYS 9 -1.249 -0.067 4.195
65 HB2 CYS 9 HB3 CYS 9 -1.077 -0.615 1.731
66 HB3 CYS 9 HB2 CYS 9 -0.645 1.008 2.218
67 H ASN 10 H ASN 10 -2.015 -1.967 2.528
68 HA ASN 10 HA ASN 10 -0.945 -4.432 3.673
69 HB2 ASN 10 HB3 ASN 10 -3.674 -3.474 3.100
70 HB3 ASN 10 HB2 ASN 10 -3.345 -5.162 2.763
71 HD21 ASN 10 HD21 ASN 10 -4.745 -5.815 4.351
72 HD22 ASN 10 HD22 ASN 10 -4.427 -5.667 6.039
73 HA PRO 11 HA PRO 11 0.443 -4.964 -0.602
74 HB2 PRO 11 HB3 PRO 11 0.773 -7.693 0.558
75 HB3 PRO 11 HB2 PRO 11 1.893 -6.755 -0.432
76 HG2 PRO 11 HG3 PRO 11 2.332 -6.939 2.153
77 HG3 PRO 11 HG2 PRO 11 2.489 -5.359 1.360
78 HD2 PRO 11 HD3 PRO 11 0.262 -6.404 3.054
79 HD3 PRO 11 HD2 PRO 11 0.995 -4.786 3.014
80 H SER 12 H SER 12 -1.634 -7.182 1.137
81 HA SER 12 HA SER 12 -2.654 -8.427 -1.272
82 HB2 SER 12 HB3 SER 12 -2.186 -9.686 0.848
83 HB3 SER 12 HB2 SER 12 -3.514 -8.814 1.601
84 HG SER 12 HG SER 12 -4.657 -9.777 -0.443
85 H ASN 13 H ASN 13 -3.305 -5.578 0.258
86 HA ASN 13 HA ASN 13 -6.046 -5.478 -0.804
87 HB2 ASN 13 HB3 ASN 13 -5.148 -4.243 1.836
88 HB3 ASN 13 HB2 ASN 13 -6.735 -4.065 1.119
89 HD21 ASN 13 HD21 ASN 13 -8.153 -5.859 1.169
90 HD22 ASN 13 HD22 ASN 13 -7.933 -7.145 2.300
91 H ASP 14 H ASP 14 -3.629 -4.854 -1.947
92 HA ASP 14 HA ASP 14 -2.532 -2.367 -1.627
93 HB2 ASP 14 HB3 ASP 14 -1.465 -4.001 -3.022
94 HB3 ASP 14 HB2 ASP 14 -2.816 -3.994 -4.151
95 H GLN 15 H GLN 15 -3.396 -0.522 -1.742
96 HA GLN 15 HA GLN 15 -5.091 0.249 -3.954
97 HB2 GLN 15 HB3 GLN 15 -6.701 -0.371 -2.231
98 HB3 GLN 15 HB2 GLN 15 -5.860 0.625 -1.054
99 HG2 GLN 15 HG3 GLN 15 -6.412 2.620 -2.321
100 HG3 GLN 15 HG2 GLN 15 -7.236 1.636 -3.527
101 HE21 GLN 15 HE21 GLN 15 -9.197 0.736 -3.032
102 HE22 GLN 15 HE22 GLN 15 -10.120 1.249 -1.671
103 H CYS 16 H CYS 16 -4.009 1.493 -0.804
104 HA CYS 16 HA CYS 16 -3.121 3.508 -0.190
105 HB2 CYS 16 HB3 CYS 16 -1.173 2.351 -1.232
106 HB3 CYS 16 HB2 CYS 16 -1.584 3.088 -2.775
107 H CYS 17 H CYS 17 -2.194 5.376 -2.465
108 HA CYS 17 HA CYS 17 -4.812 6.623 -2.585
109 HB2 CYS 17 HB3 CYS 17 -2.675 7.886 -1.967
110 HB3 CYS 17 HB2 CYS 17 -2.314 7.727 -3.690
111 H LYS 18 H LYS 18 -5.920 5.824 -4.046
112 HA LYS 18 HA LYS 18 -5.102 4.856 -6.600
113 HB2 LYS 18 HB3 LYS 18 -7.806 5.872 -5.683
114 HB3 LYS 18 HB2 LYS 18 -7.521 5.014 -7.188
115 HG2 LYS 18 HG3 LYS 18 -6.961 3.008 -6.030
116 HG3 LYS 18 HG2 LYS 18 -6.925 3.845 -4.481
117 HD2 LYS 18 HD3 LYS 18 -8.987 2.537 -4.729
118 HD3 LYS 18 HD2 LYS 18 -9.331 4.259 -4.637
119 HE2 LYS 18 HE3 LYS 18 -9.584 4.333 -7.076
120 HE3 LYS 18 HE2 LYS 18 -9.221 2.613 -7.162
121 HZ1 LYS 18 HZ1 LYS 18 -11.618 3.111 -7.227
122 HZ2 LYS 18 HZ2 LYS 18 -11.524 3.762 -5.679
123 HZ3 LYS 18 HZ3 LYS 18 -11.193 2.123 -5.926
124 H SER 19 H SER 19 -6.316 7.822 -5.398
125 HA SER 19 HA SER 19 -6.711 9.280 -7.727
126 HB2 SER 19 HB3 SER 19 -5.929 10.384 -5.046
127 HB3 SER 19 HB2 SER 19 -6.986 11.110 -6.263
128 HG SER 19 HG SER 19 -8.488 9.502 -5.892
129 H SER 20 H SER 20 -3.701 8.596 -5.960
130 HA SER 20 HA SER 20 -2.359 10.560 -7.680
131 HB2 SER 20 HB3 SER 20 -1.521 9.538 -4.985
132 HB3 SER 20 HB2 SER 20 -0.637 10.715 -5.973
133 HG SER 20 HG SER 20 -2.727 11.897 -5.886
134 H LYS 21 H LYS 21 -2.999 7.447 -7.565
135 HA LYS 21 HA LYS 21 -2.184 5.612 -8.473
136 HB2 LYS 21 HB3 LYS 21 -0.154 7.443 -9.750
137 HB3 LYS 21 HB2 LYS 21 -0.600 5.833 -10.315
138 HG2 LYS 21 HG3 LYS 21 -2.467 8.157 -10.114
139 HG3 LYS 21 HG2 LYS 21 -1.635 7.690 -11.602
140 HD2 LYS 21 HD3 LYS 21 -2.763 5.546 -11.594
141 HD3 LYS 21 HD2 LYS 21 -3.498 5.898 -10.033
142 HE2 LYS 21 HE3 LYS 21 -5.038 6.232 -11.949
143 HE3 LYS 21 HE2 LYS 21 -4.798 7.668 -10.964
144 HZ1 LYS 21 HZ1 LYS 21 -3.313 8.531 -12.583
145 HZ2 LYS 21 HZ2 LYS 21 -4.754 8.134 -13.335
146 HZ3 LYS 21 HZ3 LYS 21 -3.400 7.143 -13.540
147 H LEU 22 H LEU 22 -1.289 6.046 -5.866
148 HA LEU 22 HA LEU 22 1.505 5.458 -5.838
149 HB2 LEU 22 HB3 LEU 22 -0.468 5.962 -3.640
150 HB3 LEU 22 HB2 LEU 22 1.262 5.855 -3.504
151 HG LEU 22 HG LEU 22 -0.292 8.058 -4.827
152 HD11 LEU 22 HD11 LEU 22 1.376 8.034 -2.319
153 HD12 LEU 22 HD12 LEU 22 -0.381 8.148 -2.409
154 HD13 LEU 22 HD13 LEU 22 0.621 9.459 -3.032
155 HD21 LEU 22 HD21 LEU 22 2.676 7.702 -4.541
156 HD22 LEU 22 HD22 LEU 22 1.902 9.200 -5.060
157 HD23 LEU 22 HD23 LEU 22 1.765 7.744 -6.051
158 H VAL 23 H VAL 23 2.006 3.523 -5.324
159 HA VAL 23 HA VAL 23 -0.157 1.564 -4.964
160 HB VAL 23 HB VAL 23 1.329 -0.149 -5.913
161 HG11 VAL 23 HG11 VAL 23 1.063 2.300 -7.653
162 HG12 VAL 23 HG12 VAL 23 -0.169 1.070 -7.400
163 HG13 VAL 23 HG13 VAL 23 1.331 0.657 -8.236
164 HG21 VAL 23 HG21 VAL 23 3.260 2.125 -6.383
165 HG22 VAL 23 HG22 VAL 23 3.447 0.478 -6.988
166 HG23 VAL 23 HG23 VAL 23 3.482 0.792 -5.251
167 H CYS 24 H CYS 24 0.581 -0.497 -3.754
168 HA CYS 24 HA CYS 24 1.822 0.470 -1.321
169 HB2 CYS 24 HB3 CYS 24 -0.368 -0.561 -1.105
170 HB3 CYS 24 HB2 CYS 24 0.212 -2.012 -1.917
171 H SER 25 H SER 25 3.715 -0.204 -0.685
172 HA SER 25 HA SER 25 5.224 -1.961 -2.298
173 HB2 SER 25 HB3 SER 25 6.306 -0.011 -1.322
174 HB3 SER 25 HB2 SER 25 5.829 -0.566 0.285
175 HG SER 25 HG SER 25 7.825 -1.529 -1.420
176 H ARG 26 H ARG 26 6.108 -3.944 -1.482
177 HA ARG 26 HA ARG 26 4.330 -5.216 0.458
178 HB2 ARG 26 HB3 ARG 26 4.536 -6.162 -1.841
179 HB3 ARG 26 HB2 ARG 26 6.236 -6.456 -1.486
180 HG2 ARG 26 HG3 ARG 26 5.595 -7.960 0.327
181 HG3 ARG 26 HG2 ARG 26 3.894 -7.694 -0.054
182 HD2 ARG 26 HD3 ARG 26 4.610 -9.751 -1.059
183 HD3 ARG 26 HD2 ARG 26 4.319 -8.563 -2.331
184 HE ARG 26 HE ARG 26 7.036 -8.706 -1.407
185 HH11 ARG 26 HH11 ARG 26 4.730 -10.011 -3.744
186 HH12 ARG 26 HH12 ARG 26 5.919 -10.538 -4.835
187 HH21 ARG 26 HH21 ARG 26 8.679 -9.487 -2.861
188 HH22 ARG 26 HH22 ARG 26 8.236 -10.256 -4.311
189 H LYS 27 H LYS 27 7.717 -5.263 -0.509
190 HA LYS 27 HA LYS 27 8.599 -6.565 1.861
191 HB2 LYS 27 HB3 LYS 27 9.775 -6.799 -0.271
192 HB3 LYS 27 HB2 LYS 27 10.121 -5.079 -0.281
193 HG2 LYS 27 HG3 LYS 27 11.499 -5.345 1.721
194 HG3 LYS 27 HG2 LYS 27 11.162 -7.076 1.714
195 HD2 LYS 27 HD3 LYS 27 12.213 -7.287 -0.468
196 HD3 LYS 27 HD2 LYS 27 12.502 -5.547 -0.501
197 HE2 LYS 27 HE3 LYS 27 13.953 -5.715 1.425
198 HE3 LYS 27 HE2 LYS 27 13.616 -7.436 1.564
199 HZ1 LYS 27 HZ1 LYS 27 15.729 -7.004 0.489
200 HZ2 LYS 27 HZ2 LYS 27 14.967 -6.129 -0.734
201 HZ3 LYS 27 HZ3 LYS 27 14.676 -7.783 -0.564
202 H THR 28 H THR 28 8.338 -3.280 0.789
203 HA THR 28 HA THR 28 9.733 -2.389 3.202
204 HB THR 28 HB THR 28 8.734 -0.700 0.938
205 HG1 THR 28 HG1 THR 28 11.026 -2.271 1.321
206 HG21 THR 28 HG21 THR 28 10.431 0.907 1.745
207 HG22 THR 28 HG22 THR 28 10.866 -0.213 3.037
208 HG23 THR 28 HG23 THR 28 9.265 0.526 3.013
209 H ARG 29 H ARG 29 6.684 -2.564 1.716
210 HA ARG 29 HA ARG 29 4.622 -2.021 2.212
211 HB2 ARG 29 HB3 ARG 29 5.056 -3.807 3.792
212 HB3 ARG 29 HB2 ARG 29 5.569 -2.643 4.997
213 HG2 ARG 29 HG3 ARG 29 3.346 -1.737 5.129
214 HG3 ARG 29 HG2 ARG 29 2.810 -2.786 3.813
215 HD2 ARG 29 HD3 ARG 29 2.152 -3.728 5.941
216 HD3 ARG 29 HD2 ARG 29 3.373 -4.727 5.139
217 HE ARG 29 HE ARG 29 4.360 -2.809 7.062
218 HH11 ARG 29 HH11 ARG 29 3.394 -6.174 6.498
219 HH12 ARG 29 HH12 ARG 29 4.276 -6.815 7.786
220 HH21 ARG 29 HH21 ARG 29 5.521 -3.642 8.860
221 HH22 ARG 29 HH22 ARG 29 5.530 -5.320 9.202
222 H TRP 30 H TRP 30 4.747 0.043 1.514
223 HA TRP 30 HA TRP 30 3.697 2.012 3.206
224 HB2 TRP 30 HB3 TRP 30 5.358 3.710 2.995
225 HB3 TRP 30 HB2 TRP 30 6.171 2.372 3.743
226 HD1 TRP 30 HD1 TRP 30 6.942 0.858 0.920
227 HE1 TRP 30 HE1 TRP 30 8.765 1.884 -0.575
228 HE3 TRP 30 HE3 TRP 30 6.892 5.624 2.714
229 HZ2 TRP 30 HZ2 TRP 30 10.029 4.359 -0.936
230 HZ3 TRP 30 HZ3 TRP 30 8.451 7.260 1.748
231 HH2 TRP 30 HH2 TRP 30 9.985 6.636 -0.041
232 H CYS 31 H CYS 31 3.823 3.999 1.751
233 HA CYS 31 HA CYS 31 2.639 2.932 -0.609
234 HB2 CYS 31 HB3 CYS 31 2.311 5.311 1.020
235 HB3 CYS 31 HB2 CYS 31 1.998 5.530 -0.712
236 H LYS 32 H LYS 32 3.488 3.226 -2.544
237 HA LYS 32 HA LYS 32 6.123 4.330 -2.573
238 HB2 LYS 32 HB3 LYS 32 4.567 2.867 -4.687
239 HB3 LYS 32 HB2 LYS 32 6.207 3.472 -4.909
240 HG2 LYS 32 HG3 LYS 32 6.896 2.156 -2.970
241 HG3 LYS 32 HG2 LYS 32 5.290 1.447 -2.904
242 HD2 LYS 32 HD3 LYS 32 6.893 -0.034 -4.066
243 HD3 LYS 32 HD2 LYS 32 5.594 0.489 -5.134
244 HE2 LYS 32 HE3 LYS 32 7.843 0.527 -6.185
245 HE3 LYS 32 HE2 LYS 32 7.039 2.088 -6.210
246 HZ1 LYS 32 HZ1 LYS 32 9.140 1.265 -4.262
247 HZ2 LYS 32 HZ2 LYS 32 8.435 2.808 -4.384
248 HZ3 LYS 32 HZ3 LYS 32 9.380 2.208 -5.629
249 H TRP 33 H TRP 33 6.611 6.185 -3.303
250 HA TRP 33 HA TRP 33 4.522 7.964 -4.143
251 HB2 TRP 33 HB3 TRP 33 6.352 8.574 -2.502
252 HB3 TRP 33 HB2 TRP 33 7.449 8.623 -3.880
253 HD1 TRP 33 HD1 TRP 33 7.610 10.851 -5.113
254 HE1 TRP 33 HE1 TRP 33 6.204 13.039 -5.175
255 HE3 TRP 33 HE3 TRP 33 3.728 9.416 -2.140
256 HZ2 TRP 33 HZ2 TRP 33 3.799 13.993 -4.095
257 HZ3 TRP 33 HZ3 TRP 33 1.920 11.020 -1.694
258 HH2 TRP 33 HH2 TRP 33 1.962 13.261 -2.653
259 H GLN 34 H GLN 34 4.650 9.266 -6.024
260 HA GLN 34 HA GLN 34 5.076 7.712 -8.333
261 HB2 GLN 34 HB3 GLN 34 4.312 9.754 -9.539
262 HB3 GLN 34 HB2 GLN 34 3.238 9.215 -8.261
263 HG2 GLN 34 HG3 GLN 34 4.252 10.955 -6.786
264 HG3 GLN 34 HG2 GLN 34 5.134 11.545 -8.195
265 HE21 GLN 34 HE21 GLN 34 3.983 12.544 -9.865
266 HE22 GLN 34 HE22 GLN 34 2.383 13.132 -9.616
267 H ILE 35 H ILE 35 7.108 9.873 -6.684
268 HA ILE 35 HA ILE 35 9.068 9.490 -8.790
269 HB ILE 35 HB ILE 35 10.128 11.710 -8.289
270 HG12 ILE 35 HG12 ILE 35 7.541 12.282 -6.810
271 HG13 ILE 35 HG11 ILE 35 9.126 12.101 -6.067
272 HG21 ILE 35 HG21 ILE 35 7.315 11.820 -9.352
273 HG22 ILE 35 HG22 ILE 35 8.776 11.456 -10.268
274 HG23 ILE 35 HG23 ILE 35 8.540 13.067 -9.585
275 HD11 ILE 35 HD11 ILE 35 8.482 14.420 -6.236
276 HD12 ILE 35 HD12 ILE 35 8.289 14.257 -7.981
277 HD13 ILE 35 HD13 ILE 35 9.891 14.098 -7.251
278 HN1 NH2 36 HN1 NH2 36 10.576 8.274 -8.110
279 HN2 NH2 36 HN2 NH2 36 11.138 8.103 -6.491
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 -10.830 6.235 -0.642
2 H2 GLY 1 H2 GLY 1 -11.742 6.010 0.756
3 H3 GLY 1 H3 GLY 1 -10.612 4.850 0.287
4 HA2 GLY 1 HA2 GLY 1 -9.997 7.598 1.153
5 HA3 GLY 1 HA3 GLY 1 -9.741 6.130 2.092
6 H CYS 2 H CYS 2 -7.589 7.614 1.756
7 HA CYS 2 HA CYS 2 -6.063 6.193 -0.300
8 HB2 CYS 2 HB3 CYS 2 -5.848 9.064 0.561
9 HB3 CYS 2 HB2 CYS 2 -4.607 8.252 -0.334
10 H LEU 3 H LEU 3 -3.575 6.656 0.326
11 HA LEU 3 HA LEU 3 -3.143 6.583 3.163
12 HB2 LEU 3 HB3 LEU 3 -2.092 4.633 1.118
13 HB3 LEU 3 HB2 LEU 3 -1.559 4.762 2.773
14 HG LEU 3 HG LEU 3 -4.335 3.947 1.909
15 HD11 LEU 3 HD11 LEU 3 -3.687 1.699 2.587
16 HD12 LEU 3 HD12 LEU 3 -2.066 2.272 2.966
17 HD13 LEU 3 HD13 LEU 3 -2.632 2.277 1.297
18 HD21 LEU 3 HD21 LEU 3 -4.268 4.991 4.117
19 HD22 LEU 3 HD22 LEU 3 -3.011 3.853 4.612
20 HD23 LEU 3 HD23 LEU 3 -4.630 3.270 4.222
21 H GLY 4 H GLY 4 -1.016 7.346 3.593
22 HA2 GLY 4 HA3 GLY 4 0.174 8.925 1.457
23 HA3 GLY 4 HA2 GLY 4 0.565 9.016 3.175
24 H ILE 5 H ILE 5 2.599 9.034 1.644
25 HA ILE 5 HA ILE 5 3.450 6.586 0.652
26 HB ILE 5 HB ILE 5 4.407 8.499 -0.365
27 HG12 ILE 5 HG13 ILE 5 6.404 7.252 1.444
28 HG13 ILE 5 HG12 ILE 5 5.871 6.622 -0.116
29 HG21 ILE 5 HG21 ILE 5 4.096 10.150 1.363
30 HG22 ILE 5 HG22 ILE 5 5.776 10.163 0.828
31 HG23 ILE 5 HG23 ILE 5 5.344 9.393 2.353
32 HD11 ILE 5 HD11 ILE 5 8.072 7.639 -0.320
33 HD12 ILE 5 HD12 ILE 5 7.465 9.146 0.366
34 HD13 ILE 5 HD13 ILE 5 6.895 8.604 -1.213
35 H TRP 6 H TRP 6 4.025 8.145 3.613
36 HA TRP 6 HA TRP 6 5.796 6.058 4.354
37 HB2 TRP 6 HB3 TRP 6 4.878 8.429 5.850
38 HB3 TRP 6 HB2 TRP 6 6.109 7.306 6.447
39 HD1 TRP 6 HD1 TRP 6 5.883 10.465 4.845
40 HE1 TRP 6 HE1 TRP 6 8.023 11.082 3.484
41 HE3 TRP 6 HE3 TRP 6 8.032 5.857 4.614
42 HZ2 TRP 6 HZ2 TRP 6 10.283 9.746 2.454
43 HZ3 TRP 6 HZ3 TRP 6 10.158 5.594 3.419
44 HH2 TRP 6 HH2 TRP 6 11.258 7.502 2.360
45 H LYS 7 H LYS 7 2.820 5.752 4.038
46 HA LYS 7 HA LYS 7 2.064 5.057 6.761
47 HB2 LYS 7 HB3 LYS 7 0.541 5.730 4.377
48 HB3 LYS 7 HB2 LYS 7 -0.087 4.321 5.214
49 HG2 LYS 7 HG3 LYS 7 -0.159 5.660 7.307
50 HG3 LYS 7 HG2 LYS 7 0.382 7.059 6.382
51 HD2 LYS 7 HD3 LYS 7 -1.634 6.991 5.032
52 HD3 LYS 7 HD2 LYS 7 -2.148 5.509 5.827
53 HE2 LYS 7 HE3 LYS 7 -1.750 8.162 7.205
54 HE3 LYS 7 HE2 LYS 7 -3.299 7.554 6.634
55 HZ1 LYS 7 HZ1 LYS 7 -3.027 7.147 8.964
56 HZ2 LYS 7 HZ2 LYS 7 -1.580 6.339 8.727
57 HZ3 LYS 7 HZ3 LYS 7 -3.027 5.663 8.160
58 H ALA 8 H ALA 8 0.965 3.004 7.124
59 HA ALA 8 HA ALA 8 2.446 0.887 5.779
60 HB1 ALA 8 HB1 ALA 8 1.703 -0.525 7.638
61 HB2 ALA 8 HB2 ALA 8 0.771 0.823 8.291
62 HB3 ALA 8 HB3 ALA 8 2.531 0.914 8.229
63 H CYS 9 H CYS 9 1.479 0.110 4.101
64 HA CYS 9 HA CYS 9 -1.421 0.189 3.973
65 HB2 CYS 9 HB3 CYS 9 -1.011 -0.541 1.625
66 HB3 CYS 9 HB2 CYS 9 -0.453 1.064 2.015
67 H ASN 10 H ASN 10 -2.071 -1.803 2.415
68 HA ASN 10 HA ASN 10 -1.269 -4.178 3.887
69 HB2 ASN 10 HB3 ASN 10 -3.837 -3.338 2.584
70 HB3 ASN 10 HB2 ASN 10 -3.491 -5.015 2.931
71 HD21 ASN 10 HD21 ASN 10 -5.150 -5.224 4.441
72 HD22 ASN 10 HD22 ASN 10 -5.138 -4.429 5.970
73 HA PRO 11 HA PRO 11 0.723 -4.915 -0.136
74 HB2 PRO 11 HB3 PRO 11 1.141 -7.510 1.267
75 HB3 PRO 11 HB2 PRO 11 2.292 -6.534 0.353
76 HG2 PRO 11 HG3 PRO 11 2.401 -6.522 2.989
77 HG3 PRO 11 HG2 PRO 11 2.554 -4.992 2.102
78 HD2 PRO 11 HD3 PRO 11 0.193 -6.099 3.571
79 HD3 PRO 11 HD2 PRO 11 0.807 -4.432 3.511
80 H SER 12 H SER 12 -1.338 -7.205 1.562
81 HA SER 12 HA SER 12 -1.878 -8.727 -0.804
82 HB2 SER 12 HB3 SER 12 -1.822 -9.644 1.567
83 HB3 SER 12 HB2 SER 12 -3.378 -8.857 1.808
84 HG SER 12 HG SER 12 -3.078 -11.211 0.971
85 H ASN 13 H ASN 13 -3.197 -5.851 0.547
86 HA ASN 13 HA ASN 13 -5.433 -6.037 -1.291
87 HB2 ASN 13 HB3 ASN 13 -6.322 -6.457 1.025
88 HB3 ASN 13 HB2 ASN 13 -5.646 -4.912 1.529
89 HD21 ASN 13 HD21 ASN 13 -6.639 -3.015 0.835
90 HD22 ASN 13 HD22 ASN 13 -8.229 -3.008 0.153
91 H ASP 14 H ASP 14 -3.969 -4.974 -2.536
92 HA ASP 14 HA ASP 14 -2.723 -2.635 -1.578
93 HB2 ASP 14 HB3 ASP 14 -1.420 -3.998 -2.997
94 HB3 ASP 14 HB2 ASP 14 -2.698 -4.056 -4.202
95 H GLN 15 H GLN 15 -3.597 -0.738 -1.659
96 HA GLN 15 HA GLN 15 -5.358 0.020 -3.841
97 HB2 GLN 15 HB3 GLN 15 -6.896 -0.668 -2.092
98 HB3 GLN 15 HB2 GLN 15 -6.054 0.330 -0.920
99 HG2 GLN 15 HG3 GLN 15 -6.704 2.335 -2.196
100 HG3 GLN 15 HG2 GLN 15 -7.607 1.307 -3.307
101 HE21 GLN 15 HE21 GLN 15 -8.421 3.456 -1.426
102 HE22 GLN 15 HE22 GLN 15 -9.650 2.735 -0.461
103 H CYS 16 H CYS 16 -4.399 1.455 -0.731
104 HA CYS 16 HA CYS 16 -3.513 3.494 -0.196
105 HB2 CYS 16 HB3 CYS 16 -1.580 2.254 -1.288
106 HB3 CYS 16 HB2 CYS 16 -1.935 3.150 -2.763
107 H CYS 17 H CYS 17 -2.591 5.471 -2.126
108 HA CYS 17 HA CYS 17 -5.268 6.383 -2.824
109 HB2 CYS 17 HB3 CYS 17 -3.365 7.844 -1.654
110 HB3 CYS 17 HB2 CYS 17 -2.893 7.993 -3.336
111 H LYS 18 H LYS 18 -5.834 5.617 -4.649
112 HA LYS 18 HA LYS 18 -4.008 5.138 -6.838
113 HB2 LYS 18 HB3 LYS 18 -5.917 4.344 -8.117
114 HB3 LYS 18 HB2 LYS 18 -6.014 3.680 -6.498
115 HG2 LYS 18 HG3 LYS 18 -7.730 5.257 -5.899
116 HG3 LYS 18 HG2 LYS 18 -7.566 6.084 -7.448
117 HD2 LYS 18 HD3 LYS 18 -8.264 3.989 -8.577
118 HD3 LYS 18 HD2 LYS 18 -8.513 3.256 -6.992
119 HE2 LYS 18 HE3 LYS 18 -9.929 5.720 -8.009
120 HE3 LYS 18 HE2 LYS 18 -10.608 4.098 -8.011
121 HZ1 LYS 18 HZ1 LYS 18 -10.467 4.090 -5.585
122 HZ2 LYS 18 HZ2 LYS 18 -11.378 5.385 -6.138
123 HZ3 LYS 18 HZ3 LYS 18 -9.818 5.653 -5.594
124 H SER 19 H SER 19 -6.005 7.631 -5.736
125 HA SER 19 HA SER 19 -6.260 9.113 -8.130
126 HB2 SER 19 HB3 SER 19 -7.768 9.421 -6.215
127 HB3 SER 19 HB2 SER 19 -6.423 9.997 -5.237
128 HG SER 19 HG SER 19 -7.470 11.213 -7.575
129 H SER 20 H SER 20 -3.799 8.942 -5.602
130 HA SER 20 HA SER 20 -2.378 11.215 -6.768
131 HB2 SER 20 HB3 SER 20 -1.724 9.591 -4.327
132 HB3 SER 20 HB2 SER 20 -0.985 11.122 -4.810
133 HG SER 20 HG SER 20 -3.463 11.704 -4.745
134 H LYS 21 H LYS 21 -2.659 7.999 -7.107
135 HA LYS 21 HA LYS 21 -1.708 6.508 -8.299
136 HB2 LYS 21 HB3 LYS 21 0.343 8.570 -9.016
137 HB3 LYS 21 HB2 LYS 21 0.101 7.040 -9.853
138 HG2 LYS 21 HG3 LYS 21 -1.928 9.251 -9.631
139 HG3 LYS 21 HG2 LYS 21 -0.913 8.986 -11.048
140 HD2 LYS 21 HD3 LYS 21 -2.937 7.012 -9.942
141 HD3 LYS 21 HD2 LYS 21 -3.219 8.081 -11.308
142 HE2 LYS 21 HE3 LYS 21 -1.108 5.922 -11.172
143 HE3 LYS 21 HE2 LYS 21 -2.643 5.806 -12.019
144 HZ1 LYS 21 HZ1 LYS 21 -1.958 7.661 -13.420
145 HZ2 LYS 21 HZ2 LYS 21 -0.877 6.367 -13.537
146 HZ3 LYS 21 HZ3 LYS 21 -0.457 7.721 -12.644
147 H LEU 22 H LEU 22 -1.157 6.198 -5.633
148 HA LEU 22 HA LEU 22 1.570 5.351 -5.608
149 HB2 LEU 22 HB3 LEU 22 -0.254 6.305 -3.448
150 HB3 LEU 22 HB2 LEU 22 1.118 5.304 -3.129
151 HG LEU 22 HG LEU 22 2.481 7.144 -4.310
152 HD11 LEU 22 HD11 LEU 22 1.614 9.401 -4.128
153 HD12 LEU 22 HD12 LEU 22 0.062 8.750 -3.607
154 HD13 LEU 22 HD13 LEU 22 0.661 8.407 -5.232
155 HD21 LEU 22 HD21 LEU 22 1.294 7.622 -1.586
156 HD22 LEU 22 HD22 LEU 22 2.715 8.445 -2.228
157 HD23 LEU 22 HD23 LEU 22 2.753 6.703 -1.970
158 H VAL 23 H VAL 23 1.836 3.423 -4.974
159 HA VAL 23 HA VAL 23 -0.493 1.663 -4.601
160 HB VAL 23 HB VAL 23 0.766 -0.126 -5.752
161 HG11 VAL 23 HG11 VAL 23 -0.825 1.180 -7.045
162 HG12 VAL 23 HG12 VAL 23 0.562 0.742 -8.040
163 HG13 VAL 23 HG13 VAL 23 0.421 2.379 -7.395
164 HG21 VAL 23 HG21 VAL 23 3.030 0.624 -5.373
165 HG22 VAL 23 HG22 VAL 23 2.742 2.058 -6.353
166 HG23 VAL 23 HG23 VAL 23 2.749 0.466 -7.111
167 H CYS 24 H CYS 24 0.003 -0.313 -3.389
168 HA CYS 24 HA CYS 24 1.670 0.325 -1.144
169 HB2 CYS 24 HB3 CYS 24 -0.532 -0.713 -0.834
170 HB3 CYS 24 HB2 CYS 24 0.007 -2.125 -1.737
171 H SER 25 H SER 25 3.555 -0.591 -0.616
172 HA SER 25 HA SER 25 4.749 -2.329 -2.520
173 HB2 SER 25 HB3 SER 25 5.974 -0.298 -1.912
174 HB3 SER 25 HB2 SER 25 5.946 -0.783 -0.223
175 HG SER 25 HG SER 25 7.896 -1.274 -1.197
176 H ARG 26 H ARG 26 6.010 -4.150 -1.587
177 HA ARG 26 HA ARG 26 4.471 -5.411 0.579
178 HB2 ARG 26 HB3 ARG 26 4.580 -6.478 -1.690
179 HB3 ARG 26 HB2 ARG 26 6.321 -6.581 -1.426
180 HG2 ARG 26 HG3 ARG 26 5.998 -8.077 0.448
181 HG3 ARG 26 HG2 ARG 26 4.245 -7.966 0.258
182 HD2 ARG 26 HD3 ARG 26 6.177 -9.023 -1.795
183 HD3 ARG 26 HD2 ARG 26 5.141 -10.008 -0.764
184 HE ARG 26 HE ARG 26 3.272 -8.671 -1.899
185 HH11 ARG 26 HH11 ARG 26 6.255 -9.668 -3.522
186 HH12 ARG 26 HH12 ARG 26 5.554 -9.753 -5.066
187 HH21 ARG 26 HH21 ARG 26 2.305 -8.789 -4.055
188 HH22 ARG 26 HH22 ARG 26 3.268 -9.243 -5.366
189 H LYS 27 H LYS 27 7.704 -5.099 -0.774
190 HA LYS 27 HA LYS 27 9.079 -6.245 1.378
191 HB2 LYS 27 HB3 LYS 27 11.111 -5.346 0.340
192 HB3 LYS 27 HB2 LYS 27 10.070 -6.088 -0.861
193 HG2 LYS 27 HG3 LYS 27 9.261 -3.738 -1.419
194 HG3 LYS 27 HG2 LYS 27 10.547 -3.161 -0.375
195 HD2 LYS 27 HD3 LYS 27 10.978 -4.919 -2.791
196 HD3 LYS 27 HD2 LYS 27 11.170 -3.171 -2.774
197 HE2 LYS 27 HE3 LYS 27 12.756 -5.119 -1.088
198 HE3 LYS 27 HE2 LYS 27 13.303 -4.371 -2.584
199 HZ1 LYS 27 HZ1 LYS 27 14.188 -3.211 -0.730
200 HZ2 LYS 27 HZ2 LYS 27 12.690 -2.968 -0.034
201 HZ3 LYS 27 HZ3 LYS 27 13.091 -2.189 -1.487
202 H THR 28 H THR 28 8.004 -3.007 0.757
203 HA THR 28 HA THR 28 9.330 -2.238 3.265
204 HB THR 28 HB THR 28 9.008 0.157 2.490
205 HG1 THR 28 HG1 THR 28 8.307 0.531 0.562
206 HG21 THR 28 HG21 THR 28 11.177 -0.952 2.389
207 HG22 THR 28 HG22 THR 28 10.946 0.088 0.987
208 HG23 THR 28 HG23 THR 28 10.763 -1.657 0.829
209 H ARG 29 H ARG 29 6.292 -2.839 1.954
210 HA ARG 29 HA ARG 29 4.205 -2.577 2.521
211 HB2 ARG 29 HB3 ARG 29 5.230 -3.831 4.427
212 HB3 ARG 29 HB2 ARG 29 5.321 -2.315 5.303
213 HG2 ARG 29 HG3 ARG 29 2.917 -2.129 5.289
214 HG3 ARG 29 HG2 ARG 29 2.794 -3.598 4.314
215 HD2 ARG 29 HD3 ARG 29 4.173 -3.450 6.904
216 HD3 ARG 29 HD2 ARG 29 2.446 -3.892 6.811
217 HE ARG 29 HE ARG 29 4.809 -5.429 5.983
218 HH11 ARG 29 HH11 ARG 29 1.257 -5.338 6.277
219 HH12 ARG 29 HH12 ARG 29 1.067 -7.011 6.067
220 HH21 ARG 29 HH21 ARG 29 4.495 -7.774 5.757
221 HH22 ARG 29 HH22 ARG 29 2.932 -8.416 5.791
222 H TRP 30 H TRP 30 5.609 -0.090 1.849
223 HA TRP 30 HA TRP 30 3.653 1.813 3.019
224 HB2 TRP 30 HB3 TRP 30 5.208 3.624 2.677
225 HB3 TRP 30 HB2 TRP 30 5.854 2.500 3.832
226 HD1 TRP 30 HD1 TRP 30 6.262 2.769 -0.067
227 HE1 TRP 30 HE1 TRP 30 8.793 2.820 -0.594
228 HE3 TRP 30 HE3 TRP 30 8.072 2.542 4.701
229 HZ2 TRP 30 HZ2 TRP 30 11.224 2.784 0.847
230 HZ3 TRP 30 HZ3 TRP 30 10.508 2.568 5.044
231 HH2 TRP 30 HH2 TRP 30 12.043 2.682 3.161
232 H CYS 31 H CYS 31 3.657 3.774 1.550
233 HA CYS 31 HA CYS 31 2.594 2.630 -0.827
234 HB2 CYS 31 HB3 CYS 31 2.107 5.055 0.766
235 HB3 CYS 31 HB2 CYS 31 1.736 5.111 -0.951
236 H LYS 32 H LYS 32 3.750 2.798 -2.579
237 HA LYS 32 HA LYS 32 5.874 4.802 -2.577
238 HB2 LYS 32 HB3 LYS 32 7.078 3.349 -4.134
239 HB3 LYS 32 HB2 LYS 32 6.762 2.572 -2.589
240 HG2 LYS 32 HG3 LYS 32 4.925 1.437 -3.497
241 HG3 LYS 32 HG2 LYS 32 5.152 2.169 -5.086
242 HD2 LYS 32 HD3 LYS 32 7.521 1.175 -5.032
243 HD3 LYS 32 HD2 LYS 32 6.976 0.218 -3.661
244 HE2 LYS 32 HE3 LYS 32 6.766 -1.114 -5.641
245 HE3 LYS 32 HE2 LYS 32 5.148 -0.680 -5.081
246 HZ1 LYS 32 HZ1 LYS 32 5.291 -0.412 -7.471
247 HZ2 LYS 32 HZ2 LYS 32 6.662 0.517 -7.319
248 HZ3 LYS 32 HZ3 LYS 32 5.201 1.142 -6.805
249 H TRP 33 H TRP 33 5.922 6.271 -4.048
250 HA TRP 33 HA TRP 33 4.187 6.089 -6.357
251 HB2 TRP 33 HB3 TRP 33 4.580 8.480 -6.551
252 HB3 TRP 33 HB2 TRP 33 3.989 8.125 -4.939
253 HD1 TRP 33 HD1 TRP 33 6.276 7.884 -3.098
254 HE1 TRP 33 HE1 TRP 33 8.186 9.613 -2.906
255 HE3 TRP 33 HE3 TRP 33 5.769 10.197 -7.630
256 HZ2 TRP 33 HZ2 TRP 33 9.304 11.677 -4.446
257 HZ3 TRP 33 HZ3 TRP 33 7.285 12.045 -8.181
258 HH2 TRP 33 HH2 TRP 33 9.020 12.766 -6.619
259 H GLN 34 H GLN 34 7.292 5.591 -5.301
260 HA GLN 34 HA GLN 34 8.376 4.855 -7.733
261 HB2 GLN 34 HB3 GLN 34 10.060 6.537 -8.181
262 HB3 GLN 34 HB2 GLN 34 8.471 7.288 -8.195
263 HG2 GLN 34 HG3 GLN 34 8.877 8.205 -6.001
264 HG3 GLN 34 HG2 GLN 34 10.455 7.419 -5.948
265 HE21 GLN 34 HE21 GLN 34 11.608 9.261 -5.839
266 HE22 GLN 34 HE22 GLN 34 11.735 10.399 -7.129
267 H ILE 35 H ILE 35 8.834 5.789 -4.402
268 HA ILE 35 HA ILE 35 11.399 4.537 -4.161
269 HB ILE 35 HB ILE 35 9.467 5.372 -1.954
270 HG12 ILE 35 HG12 ILE 35 11.785 6.872 -3.191
271 HG13 ILE 35 HG11 ILE 35 10.084 7.260 -3.413
272 HG21 ILE 35 HG21 ILE 35 11.189 3.790 -1.188
273 HG22 ILE 35 HG22 ILE 35 11.446 5.393 -0.502
274 HG23 ILE 35 HG23 ILE 35 12.447 4.841 -1.842
275 HD11 ILE 35 HD11 ILE 35 9.911 7.797 -1.026
276 HD12 ILE 35 HD12 ILE 35 11.143 8.771 -1.822
277 HD13 ILE 35 HD13 ILE 35 11.614 7.400 -0.821
278 HN1 NH2 36 HN1 NH2 36 10.927 2.494 -5.035
279 HN2 NH2 36 HN2 NH2 36 10.122 1.256 -4.148
Start of MODEL 16
1 H1 GLY 1 H1 GLY 1 -10.216 10.321 -0.067
2 H2 GLY 1 H2 GLY 1 -8.826 11.278 -0.129
3 H3 GLY 1 H3 GLY 1 -10.135 11.741 0.845
4 HA2 GLY 1 HA2 GLY 1 -8.351 10.755 2.167
5 HA3 GLY 1 HA3 GLY 1 -9.832 9.806 2.212
6 H CYS 2 H CYS 2 -6.697 9.368 2.196
7 HA CYS 2 HA CYS 2 -6.824 6.759 1.165
8 HB2 CYS 2 HB3 CYS 2 -5.032 7.121 -0.553
9 HB3 CYS 2 HB2 CYS 2 -6.653 7.612 -1.008
10 H LEU 3 H LEU 3 -4.219 6.160 0.734
11 HA LEU 3 HA LEU 3 -3.060 6.703 3.327
12 HB2 LEU 3 HB3 LEU 3 -2.319 4.629 1.264
13 HB3 LEU 3 HB2 LEU 3 -1.669 4.768 2.878
14 HG LEU 3 HG LEU 3 -4.470 3.952 2.125
15 HD11 LEU 3 HD11 LEU 3 -2.822 2.217 1.778
16 HD12 LEU 3 HD12 LEU 3 -3.867 1.828 3.143
17 HD13 LEU 3 HD13 LEU 3 -2.235 2.429 3.426
18 HD21 LEU 3 HD21 LEU 3 -4.536 5.288 4.175
19 HD22 LEU 3 HD22 LEU 3 -3.263 4.293 4.878
20 HD23 LEU 3 HD23 LEU 3 -4.842 3.588 4.532
21 H GLY 4 H GLY 4 -1.222 7.639 3.460
22 HA2 GLY 4 HA3 GLY 4 -0.091 9.039 1.168
23 HA3 GLY 4 HA2 GLY 4 0.409 9.239 2.843
24 H ILE 5 H ILE 5 2.462 9.260 1.598
25 HA ILE 5 HA ILE 5 3.283 6.898 0.357
26 HB ILE 5 HB ILE 5 4.111 9.028 -0.425
27 HG12 ILE 5 HG13 ILE 5 6.257 7.395 0.829
28 HG13 ILE 5 HG12 ILE 5 5.460 7.079 -0.718
29 HG21 ILE 5 HG21 ILE 5 5.450 9.316 2.256
30 HG22 ILE 5 HG22 ILE 5 4.103 10.276 1.653
31 HG23 ILE 5 HG23 ILE 5 5.682 10.388 0.875
32 HD11 ILE 5 HD11 ILE 5 7.214 9.467 -0.082
33 HD12 ILE 5 HD12 ILE 5 6.408 9.173 -1.621
34 HD13 ILE 5 HD13 ILE 5 7.688 8.088 -1.074
35 H TRP 6 H TRP 6 3.838 8.069 3.501
36 HA TRP 6 HA TRP 6 5.602 5.858 3.983
37 HB2 TRP 6 HB3 TRP 6 4.862 8.236 5.589
38 HB3 TRP 6 HB2 TRP 6 5.867 6.941 6.255
39 HD1 TRP 6 HD1 TRP 6 6.173 10.128 4.392
40 HE1 TRP 6 HE1 TRP 6 8.528 10.361 3.365
41 HE3 TRP 6 HE3 TRP 6 7.807 5.359 5.062
42 HZ2 TRP 6 HZ2 TRP 6 10.783 8.717 2.902
43 HZ3 TRP 6 HZ3 TRP 6 10.039 4.752 4.315
44 HH2 TRP 6 HH2 TRP 6 11.517 6.398 3.253
45 H LYS 7 H LYS 7 2.531 5.883 3.714
46 HA LYS 7 HA LYS 7 1.825 5.064 6.369
47 HB2 LYS 7 HB3 LYS 7 0.231 5.694 3.938
48 HB3 LYS 7 HB2 LYS 7 -0.472 4.898 5.333
49 HG2 LYS 7 HG3 LYS 7 0.825 7.627 5.256
50 HG3 LYS 7 HG2 LYS 7 -0.896 7.289 5.464
51 HD2 LYS 7 HD3 LYS 7 -0.363 6.102 7.577
52 HD3 LYS 7 HD2 LYS 7 1.324 6.555 7.382
53 HE2 LYS 7 HE3 LYS 7 0.681 8.923 7.458
54 HE3 LYS 7 HE2 LYS 7 -0.989 8.433 7.741
55 HZ1 LYS 7 HZ1 LYS 7 -0.291 7.314 9.759
56 HZ2 LYS 7 HZ2 LYS 7 0.153 8.935 9.818
57 HZ3 LYS 7 HZ3 LYS 7 1.310 7.759 9.492
58 H ALA 8 H ALA 8 0.779 3.207 6.880
59 HA ALA 8 HA ALA 8 2.038 0.987 5.583
60 HB1 ALA 8 HB1 ALA 8 1.208 -0.323 7.450
61 HB2 ALA 8 HB2 ALA 8 0.237 1.037 8.003
62 HB3 ALA 8 HB3 ALA 8 1.997 1.141 8.037
63 H CYS 9 H CYS 9 1.170 0.258 3.886
64 HA CYS 9 HA CYS 9 -1.716 0.191 3.562
65 HB2 CYS 9 HB3 CYS 9 -1.107 -0.609 1.294
66 HB3 CYS 9 HB2 CYS 9 -0.613 1.024 1.638
67 H ASN 10 H ASN 10 -2.094 -1.941 2.031
68 HA ASN 10 HA ASN 10 -1.458 -4.119 3.843
69 HB2 ASN 10 HB3 ASN 10 -3.634 -3.710 1.810
70 HB3 ASN 10 HB2 ASN 10 -3.315 -5.237 2.595
71 HD21 ASN 10 HD21 ASN 10 -5.325 -5.336 3.582
72 HD22 ASN 10 HD22 ASN 10 -5.807 -4.264 4.847
73 HA PRO 11 HA PRO 11 1.512 -5.194 0.508
74 HB2 PRO 11 HB3 PRO 11 1.487 -7.525 2.368
75 HB3 PRO 11 HB2 PRO 11 2.859 -6.778 1.551
76 HG2 PRO 11 HG3 PRO 11 2.467 -6.212 4.075
77 HG3 PRO 11 HG2 PRO 11 2.783 -4.873 2.953
78 HD2 PRO 11 HD3 PRO 11 0.201 -5.774 4.145
79 HD3 PRO 11 HD2 PRO 11 0.796 -4.125 3.871
80 H SER 12 H SER 12 -1.011 -7.222 1.832
81 HA SER 12 HA SER 12 -1.070 -8.883 -0.568
82 HB2 SER 12 HB3 SER 12 -1.255 -9.886 1.735
83 HB3 SER 12 HB2 SER 12 -2.816 -9.083 1.890
84 HG SER 12 HG SER 12 -3.671 -10.397 0.393
85 H ASN 13 H ASN 13 -2.349 -5.870 0.030
86 HA ASN 13 HA ASN 13 -4.527 -6.293 -1.754
87 HB2 ASN 13 HB3 ASN 13 -5.692 -6.822 0.318
88 HB3 ASN 13 HB2 ASN 13 -5.051 -5.383 1.095
89 HD21 ASN 13 HD21 ASN 13 -7.355 -6.617 -1.215
90 HD22 ASN 13 HD22 ASN 13 -8.301 -5.197 -1.331
91 H ASP 14 H ASP 14 -3.521 -4.959 -3.069
92 HA ASP 14 HA ASP 14 -2.445 -2.586 -2.052
93 HB2 ASP 14 HB3 ASP 14 -1.199 -3.502 -3.833
94 HB3 ASP 14 HB2 ASP 14 -2.619 -3.651 -4.863
95 H GLN 15 H GLN 15 -3.219 -0.611 -2.190
96 HA GLN 15 HA GLN 15 -5.431 0.164 -3.807
97 HB2 GLN 15 HB3 GLN 15 -6.637 -0.863 -1.916
98 HB3 GLN 15 HB2 GLN 15 -5.710 0.111 -0.790
99 HG2 GLN 15 HG3 GLN 15 -6.707 2.133 -1.737
100 HG3 GLN 15 HG2 GLN 15 -7.683 1.137 -2.817
101 HE21 GLN 15 HE21 GLN 15 -9.593 1.883 -1.934
102 HE22 GLN 15 HE22 GLN 15 -10.156 1.393 -0.385
103 H CYS 16 H CYS 16 -4.196 1.232 -0.678
104 HA CYS 16 HA CYS 16 -3.350 3.221 0.020
105 HB2 CYS 16 HB3 CYS 16 -1.417 2.107 -1.023
106 HB3 CYS 16 HB2 CYS 16 -1.770 2.924 -2.551
107 H CYS 17 H CYS 17 -2.320 5.287 -1.998
108 HA CYS 17 HA CYS 17 -4.940 6.487 -2.404
109 HB2 CYS 17 HB3 CYS 17 -2.909 7.725 -1.352
110 HB3 CYS 17 HB2 CYS 17 -2.402 7.825 -3.044
111 H LYS 18 H LYS 18 -5.768 5.810 -4.082
112 HA LYS 18 HA LYS 18 -4.366 5.221 -6.535
113 HB2 LYS 18 HB3 LYS 18 -7.338 5.521 -6.072
114 HB3 LYS 18 HB2 LYS 18 -6.598 4.836 -7.503
115 HG2 LYS 18 HG3 LYS 18 -6.412 3.672 -4.722
116 HG3 LYS 18 HG2 LYS 18 -7.497 3.111 -5.991
117 HD2 LYS 18 HD3 LYS 18 -4.485 3.149 -6.211
118 HD3 LYS 18 HD2 LYS 18 -5.429 1.747 -5.730
119 HE2 LYS 18 HE3 LYS 18 -6.534 1.697 -7.870
120 HE3 LYS 18 HE2 LYS 18 -5.748 3.196 -8.356
121 HZ1 LYS 18 HZ1 LYS 18 -4.308 0.693 -7.704
122 HZ2 LYS 18 HZ2 LYS 18 -3.637 2.107 -8.299
123 HZ3 LYS 18 HZ3 LYS 18 -4.682 1.194 -9.262
124 H SER 19 H SER 19 -5.947 7.866 -5.115
125 HA SER 19 HA SER 19 -6.278 9.440 -7.451
126 HB2 SER 19 HB3 SER 19 -7.574 9.821 -5.354
127 HB3 SER 19 HB2 SER 19 -6.094 10.332 -4.551
128 HG SER 19 HG SER 19 -7.212 11.583 -6.847
129 H SER 20 H SER 20 -3.532 8.739 -5.369
130 HA SER 20 HA SER 20 -2.066 10.830 -6.791
131 HB2 SER 20 HB3 SER 20 -1.427 9.523 -4.152
132 HB3 SER 20 HB2 SER 20 -0.453 10.761 -4.964
133 HG SER 20 HG SER 20 -2.894 11.691 -4.881
134 H LYS 21 H LYS 21 -2.819 7.854 -7.167
135 HA LYS 21 HA LYS 21 -2.099 6.144 -8.327
136 HB2 LYS 21 HB3 LYS 21 0.148 7.975 -9.160
137 HB3 LYS 21 HB2 LYS 21 -0.366 6.522 -10.015
138 HG2 LYS 21 HG3 LYS 21 -2.029 8.968 -9.545
139 HG3 LYS 21 HG2 LYS 21 -1.204 8.603 -11.063
140 HD2 LYS 21 HD3 LYS 21 -2.537 6.517 -11.224
141 HD3 LYS 21 HD2 LYS 21 -3.384 6.975 -9.748
142 HE2 LYS 21 HE3 LYS 21 -4.200 9.002 -10.844
143 HE3 LYS 21 HE2 LYS 21 -3.367 8.531 -12.327
144 HZ1 LYS 21 HZ1 LYS 21 -4.735 6.565 -12.440
145 HZ2 LYS 21 HZ2 LYS 21 -5.730 7.930 -12.346
146 HZ3 LYS 21 HZ3 LYS 21 -5.484 6.960 -10.991
147 H LEU 22 H LEU 22 -1.353 6.030 -5.638
148 HA LEU 22 HA LEU 22 1.399 5.312 -5.552
149 HB2 LEU 22 HB3 LEU 22 -0.657 5.607 -3.414
150 HB3 LEU 22 HB2 LEU 22 1.054 5.370 -3.209
151 HG LEU 22 HG LEU 22 -0.270 7.845 -4.310
152 HD11 LEU 22 HD11 LEU 22 0.658 8.936 -2.341
153 HD12 LEU 22 HD12 LEU 22 1.300 7.396 -1.783
154 HD13 LEU 22 HD13 LEU 22 -0.448 7.636 -1.881
155 HD21 LEU 22 HD21 LEU 22 1.967 8.810 -4.373
156 HD22 LEU 22 HD22 LEU 22 1.840 7.411 -5.446
157 HD23 LEU 22 HD23 LEU 22 2.623 7.257 -3.863
158 H VAL 23 H VAL 23 1.871 3.434 -5.413
159 HA VAL 23 HA VAL 23 -0.117 1.294 -5.050
160 HB VAL 23 HB VAL 23 0.928 1.140 -7.163
161 HG11 VAL 23 HG11 VAL 23 3.582 0.911 -5.729
162 HG12 VAL 23 HG12 VAL 23 3.063 2.251 -6.751
163 HG13 VAL 23 HG13 VAL 23 3.365 0.664 -7.461
164 HG21 VAL 23 HG21 VAL 23 0.352 -0.983 -6.205
165 HG22 VAL 23 HG22 VAL 23 1.904 -1.078 -5.374
166 HG23 VAL 23 HG23 VAL 23 1.840 -1.177 -7.134
167 H CYS 24 H CYS 24 0.238 -0.261 -3.733
168 HA CYS 24 HA CYS 24 1.740 0.409 -1.369
169 HB2 CYS 24 HB3 CYS 24 -0.428 -0.554 -1.098
170 HB3 CYS 24 HB2 CYS 24 0.043 -1.978 -2.030
171 H SER 25 H SER 25 3.656 -0.292 -0.784
172 HA SER 25 HA SER 25 4.970 -2.164 -2.430
173 HB2 SER 25 HB3 SER 25 6.194 -0.176 -1.715
174 HB3 SER 25 HB2 SER 25 5.952 -0.625 -0.027
175 HG SER 25 HG SER 25 7.839 -1.410 -0.363
176 H ARG 26 H ARG 26 5.556 -4.089 -1.752
177 HA ARG 26 HA ARG 26 3.847 -5.258 0.304
178 HB2 ARG 26 HB3 ARG 26 3.951 -5.920 -2.151
179 HB3 ARG 26 HB2 ARG 26 5.534 -6.573 -1.739
180 HG2 ARG 26 HG3 ARG 26 4.556 -8.201 -0.266
181 HG3 ARG 26 HG2 ARG 26 2.961 -7.459 -0.440
182 HD2 ARG 26 HD3 ARG 26 3.071 -7.954 -2.881
183 HD3 ARG 26 HD2 ARG 26 4.551 -8.862 -2.580
184 HE ARG 26 HE ARG 26 2.773 -9.952 -0.869
185 HH11 ARG 26 HH11 ARG 26 2.679 -9.362 -4.349
186 HH12 ARG 26 HH12 ARG 26 1.679 -10.685 -4.708
187 HH21 ARG 26 HH21 ARG 26 1.414 -11.807 -1.370
188 HH22 ARG 26 HH22 ARG 26 0.959 -12.111 -2.987
189 H LYS 27 H LYS 27 7.127 -4.786 -0.736
190 HA LYS 27 HA LYS 27 8.129 -6.494 1.375
191 HB2 LYS 27 HB3 LYS 27 10.286 -6.254 0.392
192 HB3 LYS 27 HB2 LYS 27 9.135 -6.645 -0.874
193 HG2 LYS 27 HG3 LYS 27 9.119 -4.184 -1.439
194 HG3 LYS 27 HG2 LYS 27 10.437 -4.007 -0.297
195 HD2 LYS 27 HD3 LYS 27 10.521 -5.835 -2.706
196 HD3 LYS 27 HD2 LYS 27 11.179 -4.209 -2.678
197 HE2 LYS 27 HE3 LYS 27 13.023 -5.662 -2.353
198 HE3 LYS 27 HE2 LYS 27 12.669 -4.991 -0.774
199 HZ1 LYS 27 HZ1 LYS 27 13.173 -7.353 -0.740
200 HZ2 LYS 27 HZ2 LYS 27 11.819 -7.705 -1.673
201 HZ3 LYS 27 HZ3 LYS 27 11.645 -7.080 -0.123
202 H THR 28 H THR 28 7.242 -3.345 1.053
203 HA THR 28 HA THR 28 8.836 -2.802 3.484
204 HB THR 28 HB THR 28 9.013 -0.334 2.895
205 HG1 THR 28 HG1 THR 28 8.626 0.327 0.924
206 HG21 THR 28 HG21 THR 28 10.947 -1.820 2.798
207 HG22 THR 28 HG22 THR 28 10.997 -0.638 1.492
208 HG23 THR 28 HG23 THR 28 10.506 -2.299 1.158
209 H ARG 29 H ARG 29 5.727 -2.834 2.280
210 HA ARG 29 HA ARG 29 3.754 -2.326 3.034
211 HB2 ARG 29 HB3 ARG 29 4.671 -3.491 5.042
212 HB3 ARG 29 HB2 ARG 29 5.081 -1.927 5.723
213 HG2 ARG 29 HG3 ARG 29 2.763 -1.314 5.859
214 HG3 ARG 29 HG2 ARG 29 2.284 -2.778 4.999
215 HD2 ARG 29 HD3 ARG 29 1.904 -3.096 7.343
216 HD3 ARG 29 HD2 ARG 29 3.246 -4.092 6.761
217 HE ARG 29 HE ARG 29 4.483 -1.885 7.693
218 HH11 ARG 29 HH11 ARG 29 2.236 -4.183 9.173
219 HH12 ARG 29 HH12 ARG 29 2.824 -3.989 10.750
220 HH21 ARG 29 HH21 ARG 29 5.320 -1.619 9.826
221 HH22 ARG 29 HH22 ARG 29 4.664 -2.480 11.144
222 H TRP 30 H TRP 30 5.645 -0.036 2.256
223 HA TRP 30 HA TRP 30 3.715 2.024 3.098
224 HB2 TRP 30 HB3 TRP 30 5.373 3.762 2.656
225 HB3 TRP 30 HB2 TRP 30 5.864 2.754 3.983
226 HD1 TRP 30 HD1 TRP 30 6.583 2.890 0.145
227 HE1 TRP 30 HE1 TRP 30 9.143 2.589 -0.193
228 HE3 TRP 30 HE3 TRP 30 8.012 2.278 5.004
229 HZ2 TRP 30 HZ2 TRP 30 11.411 2.184 1.371
230 HZ3 TRP 30 HZ3 TRP 30 10.406 1.950 5.487
231 HH2 TRP 30 HH2 TRP 30 12.055 1.905 3.702
232 H CYS 31 H CYS 31 3.833 3.854 1.452
233 HA CYS 31 HA CYS 31 2.933 2.468 -0.858
234 HB2 CYS 31 HB3 CYS 31 2.411 5.094 0.384
235 HB3 CYS 31 HB2 CYS 31 1.964 4.803 -1.296
236 H LYS 32 H LYS 32 3.707 2.866 -2.862
237 HA LYS 32 HA LYS 32 6.233 4.299 -3.018
238 HB2 LYS 32 HB3 LYS 32 4.919 2.480 -5.024
239 HB3 LYS 32 HB2 LYS 32 6.526 3.175 -5.164
240 HG2 LYS 32 HG3 LYS 32 5.595 1.219 -3.086
241 HG3 LYS 32 HG2 LYS 32 6.649 0.894 -4.481
242 HD2 LYS 32 HD3 LYS 32 7.331 2.779 -2.211
243 HD3 LYS 32 HD2 LYS 32 7.872 1.113 -2.310
244 HE2 LYS 32 HE3 LYS 32 8.461 3.216 -4.385
245 HE3 LYS 32 HE2 LYS 32 9.565 2.771 -3.095
246 HZ1 LYS 32 HZ1 LYS 32 9.460 0.452 -4.004
247 HZ2 LYS 32 HZ2 LYS 32 10.204 1.583 -4.972
248 HZ3 LYS 32 HZ3 LYS 32 8.649 1.076 -5.358
249 H TRP 33 H TRP 33 6.571 5.874 -4.370
250 HA TRP 33 HA TRP 33 4.182 7.424 -4.964
251 HB2 TRP 33 HB3 TRP 33 6.214 8.268 -3.644
252 HB3 TRP 33 HB2 TRP 33 7.028 8.339 -5.201
253 HD1 TRP 33 HD1 TRP 33 6.466 10.375 -6.758
254 HE1 TRP 33 HE1 TRP 33 5.058 12.501 -6.454
255 HE3 TRP 33 HE3 TRP 33 4.007 9.097 -2.489
256 HZ2 TRP 33 HZ2 TRP 33 3.181 13.490 -4.662
257 HZ3 TRP 33 HZ3 TRP 33 2.391 10.699 -1.527
258 HH2 TRP 33 HH2 TRP 33 1.983 12.852 -2.592
259 H GLN 34 H GLN 34 3.804 8.385 -6.943
260 HA GLN 34 HA GLN 34 4.506 6.839 -9.224
261 HB2 GLN 34 HB3 GLN 34 3.084 8.454 -10.458
262 HB3 GLN 34 HB2 GLN 34 2.290 7.816 -9.028
263 HG2 GLN 34 HG3 GLN 34 2.659 9.859 -7.838
264 HG3 GLN 34 HG2 GLN 34 3.660 10.487 -9.143
265 HE21 GLN 34 HE21 GLN 34 1.290 11.588 -7.976
266 HE22 GLN 34 HE22 GLN 34 0.141 11.797 -9.239
267 H ILE 35 H ILE 35 4.694 8.967 -11.173
268 HA ILE 35 HA ILE 35 6.137 10.253 -12.277
269 HB ILE 35 HB ILE 35 7.607 10.755 -9.646
270 HG12 ILE 35 HG12 ILE 35 5.453 12.449 -10.989
271 HG13 ILE 35 HG11 ILE 35 5.261 11.522 -9.507
272 HG21 ILE 35 HG21 ILE 35 7.681 12.262 -12.263
273 HG22 ILE 35 HG22 ILE 35 8.966 11.245 -11.611
274 HG23 ILE 35 HG23 ILE 35 8.518 12.739 -10.785
275 HD11 ILE 35 HD11 ILE 35 6.863 12.942 -8.379
276 HD12 ILE 35 HD12 ILE 35 5.546 13.894 -9.064
277 HD13 ILE 35 HD13 ILE 35 7.116 13.858 -9.864
278 HN1 NH2 36 HN1 NH2 36 6.895 8.674 -13.514
279 HN2 NH2 36 HN2 NH2 36 8.336 7.783 -13.195
Start of MODEL 17
1 H1 GLY 1 H1 GLY 1 -9.679 5.263 1.814
2 H2 GLY 1 H2 GLY 1 -10.229 4.948 0.265
3 H3 GLY 1 H3 GLY 1 -11.282 5.647 1.392
4 HA2 GLY 1 HA2 GLY 1 -10.487 7.283 -0.189
5 HA3 GLY 1 HA3 GLY 1 -9.860 7.617 1.418
6 H CYS 2 H CYS 2 -7.700 7.534 1.763
7 HA CYS 2 HA CYS 2 -5.958 6.312 -0.191
8 HB2 CYS 2 HB3 CYS 2 -5.745 9.233 0.566
9 HB3 CYS 2 HB2 CYS 2 -4.509 8.321 -0.221
10 H LEU 3 H LEU 3 -3.622 6.676 0.657
11 HA LEU 3 HA LEU 3 -3.498 6.799 3.538
12 HB2 LEU 3 HB3 LEU 3 -2.098 4.893 1.666
13 HB3 LEU 3 HB2 LEU 3 -1.692 5.120 3.346
14 HG LEU 3 HG LEU 3 -4.251 3.951 2.261
15 HD11 LEU 3 HD11 LEU 3 -2.340 2.465 2.045
16 HD12 LEU 3 HD12 LEU 3 -3.424 1.884 3.312
17 HD13 LEU 3 HD13 LEU 3 -1.933 2.717 3.740
18 HD21 LEU 3 HD21 LEU 3 -4.765 3.435 4.614
19 HD22 LEU 3 HD22 LEU 3 -4.693 5.167 4.308
20 HD23 LEU 3 HD23 LEU 3 -3.347 4.360 5.110
21 H GLY 4 H GLY 4 -1.386 7.505 4.153
22 HA2 GLY 4 HA3 GLY 4 -0.166 9.414 2.378
23 HA3 GLY 4 HA2 GLY 4 0.427 8.964 3.980
24 H ILE 5 H ILE 5 2.209 9.393 2.108
25 HA ILE 5 HA ILE 5 2.688 7.174 0.494
26 HB ILE 5 HB ILE 5 3.445 9.243 -0.347
27 HG12 ILE 5 HG13 ILE 5 5.751 7.676 0.681
28 HG13 ILE 5 HG12 ILE 5 4.881 7.400 -0.830
29 HG21 ILE 5 HG21 ILE 5 3.566 10.533 1.686
30 HG22 ILE 5 HG22 ILE 5 5.082 10.690 0.798
31 HG23 ILE 5 HG23 ILE 5 4.992 9.634 2.205
32 HD11 ILE 5 HD11 ILE 5 6.633 9.776 -0.162
33 HD12 ILE 5 HD12 ILE 5 5.722 9.590 -1.657
34 HD13 ILE 5 HD13 ILE 5 7.039 8.475 -1.281
35 H TRP 6 H TRP 6 3.879 8.087 3.534
36 HA TRP 6 HA TRP 6 5.673 5.877 3.419
37 HB2 TRP 6 HB3 TRP 6 5.355 8.023 5.424
38 HB3 TRP 6 HB2 TRP 6 6.588 6.757 5.540
39 HD1 TRP 6 HD1 TRP 6 6.218 10.148 4.353
40 HE1 TRP 6 HE1 TRP 6 8.020 10.792 2.585
41 HE3 TRP 6 HE3 TRP 6 7.961 5.492 3.256
42 HZ2 TRP 6 HZ2 TRP 6 9.905 9.463 0.961
43 HZ3 TRP 6 HZ3 TRP 6 9.743 5.251 1.585
44 HH2 TRP 6 HH2 TRP 6 10.694 7.200 0.463
45 H LYS 7 H LYS 7 2.694 5.811 3.799
46 HA LYS 7 HA LYS 7 2.395 4.867 6.509
47 HB2 LYS 7 HB3 LYS 7 0.507 5.454 4.285
48 HB3 LYS 7 HB2 LYS 7 -0.001 4.577 5.711
49 HG2 LYS 7 HG3 LYS 7 1.223 7.337 5.724
50 HG3 LYS 7 HG2 LYS 7 -0.508 7.006 5.805
51 HD2 LYS 7 HD3 LYS 7 -0.169 5.764 7.890
52 HD3 LYS 7 HD2 LYS 7 1.560 6.106 7.818
53 HE2 LYS 7 HE3 LYS 7 0.455 7.613 9.352
54 HE3 LYS 7 HE2 LYS 7 1.079 8.493 7.960
55 HZ1 LYS 7 HZ1 LYS 7 -1.141 8.535 7.028
56 HZ2 LYS 7 HZ2 LYS 7 -1.125 9.230 8.542
57 HZ3 LYS 7 HZ3 LYS 7 -1.764 7.690 8.352
58 H ALA 8 H ALA 8 1.532 2.872 7.029
59 HA ALA 8 HA ALA 8 2.596 0.755 5.447
60 HB1 ALA 8 HB1 ALA 8 0.916 0.666 7.958
61 HB2 ALA 8 HB2 ALA 8 2.679 0.661 7.896
62 HB3 ALA 8 HB3 ALA 8 1.769 -0.699 7.239
63 H CYS 9 H CYS 9 1.599 0.141 3.736
64 HA CYS 9 HA CYS 9 -1.281 0.335 3.498
65 HB2 CYS 9 HB3 CYS 9 -0.717 -0.375 1.153
66 HB3 CYS 9 HB2 CYS 9 -0.176 1.218 1.626
67 H ASN 10 H ASN 10 -1.887 -1.616 1.807
68 HA ASN 10 HA ASN 10 -1.349 -4.022 3.352
69 HB2 ASN 10 HB3 ASN 10 -3.760 -3.024 1.887
70 HB3 ASN 10 HB2 ASN 10 -3.549 -4.708 2.296
71 HD21 ASN 10 HD21 ASN 10 -5.338 -4.730 3.631
72 HD22 ASN 10 HD22 ASN 10 -5.400 -3.910 5.157
73 HA PRO 11 HA PRO 11 0.709 -5.052 -0.667
74 HB2 PRO 11 HB3 PRO 11 1.073 -7.464 1.055
75 HB3 PRO 11 HB2 PRO 11 2.217 -6.689 -0.043
76 HG2 PRO 11 HG3 PRO 11 2.491 -6.266 2.530
77 HG3 PRO 11 HG2 PRO 11 2.564 -4.875 1.432
78 HD2 PRO 11 HD3 PRO 11 0.299 -5.789 3.160
79 HD3 PRO 11 HD2 PRO 11 0.897 -4.141 2.876
80 H SER 12 H SER 12 -1.455 -6.943 1.280
81 HA SER 12 HA SER 12 -2.205 -8.663 -0.926
82 HB2 SER 12 HB3 SER 12 -1.980 -9.622 1.327
83 HB3 SER 12 HB2 SER 12 -3.274 -8.580 1.908
84 HG SER 12 HG SER 12 -4.228 -9.813 -0.179
85 H ASN 13 H ASN 13 -3.088 -5.570 -0.140
86 HA ASN 13 HA ASN 13 -5.463 -5.757 -1.727
87 HB2 ASN 13 HB3 ASN 13 -6.334 -6.130 0.618
88 HB3 ASN 13 HB2 ASN 13 -5.662 -4.569 1.070
89 HD21 ASN 13 HD21 ASN 13 -8.197 -6.225 -0.612
90 HD22 ASN 13 HD22 ASN 13 -9.187 -4.847 -0.890
91 H ASP 14 H ASP 14 -3.854 -4.746 -2.937
92 HA ASP 14 HA ASP 14 -2.551 -2.385 -2.191
93 HB2 ASP 14 HB3 ASP 14 -1.718 -3.859 -3.931
94 HB3 ASP 14 HB2 ASP 14 -3.114 -3.471 -4.941
95 H GLN 15 H GLN 15 -3.503 -0.589 -1.851
96 HA GLN 15 HA GLN 15 -5.377 0.466 -3.801
97 HB2 GLN 15 HB3 GLN 15 -6.822 -0.498 -2.098
98 HB3 GLN 15 HB2 GLN 15 -5.975 0.379 -0.838
99 HG2 GLN 15 HG3 GLN 15 -6.721 2.505 -1.902
100 HG3 GLN 15 HG2 GLN 15 -7.680 1.549 -3.029
101 HE21 GLN 15 HE21 GLN 15 -8.352 -0.414 -0.975
102 HE22 GLN 15 HE22 GLN 15 -9.531 0.339 0.036
103 H CYS 16 H CYS 16 -4.350 1.534 -0.552
104 HA CYS 16 HA CYS 16 -3.512 3.536 0.158
105 HB2 CYS 16 HB3 CYS 16 -1.519 2.398 -0.865
106 HB3 CYS 16 HB2 CYS 16 -1.847 3.251 -2.367
107 H CYS 17 H CYS 17 -2.474 5.536 -1.920
108 HA CYS 17 HA CYS 17 -5.132 6.619 -2.407
109 HB2 CYS 17 HB3 CYS 17 -3.082 7.991 -1.481
110 HB3 CYS 17 HB2 CYS 17 -2.673 7.971 -3.194
111 H LYS 18 H LYS 18 -5.906 5.759 -4.147
112 HA LYS 18 HA LYS 18 -4.261 5.400 -6.496
113 HB2 LYS 18 HB3 LYS 18 -7.227 4.925 -6.118
114 HB3 LYS 18 HB2 LYS 18 -6.390 4.674 -7.643
115 HG2 LYS 18 HG3 LYS 18 -5.848 3.223 -5.055
116 HG3 LYS 18 HG2 LYS 18 -6.658 2.567 -6.474
117 HD2 LYS 18 HD3 LYS 18 -4.601 2.906 -7.800
118 HD3 LYS 18 HD2 LYS 18 -3.793 3.544 -6.372
119 HE2 LYS 18 HE3 LYS 18 -4.245 1.366 -5.253
120 HE3 LYS 18 HE2 LYS 18 -4.783 0.746 -6.817
121 HZ1 LYS 18 HZ1 LYS 18 -2.468 0.241 -6.348
122 HZ2 LYS 18 HZ2 LYS 18 -2.133 1.910 -6.245
123 HZ3 LYS 18 HZ3 LYS 18 -2.623 1.242 -7.716
124 H SER 19 H SER 19 -6.185 7.830 -5.186
125 HA SER 19 HA SER 19 -6.587 9.354 -7.502
126 HB2 SER 19 HB3 SER 19 -6.179 10.290 -4.652
127 HB3 SER 19 HB2 SER 19 -6.997 11.177 -5.942
128 HG SER 19 HG SER 19 -8.639 9.764 -5.911
129 H SER 20 H SER 20 -3.749 8.688 -5.538
130 HA SER 20 HA SER 20 -2.262 10.765 -6.971
131 HB2 SER 20 HB3 SER 20 -1.542 9.288 -4.468
132 HB3 SER 20 HB2 SER 20 -0.642 10.624 -5.208
133 HG SER 20 HG SER 20 -2.368 11.964 -4.769
134 H LYS 21 H LYS 21 -3.063 7.701 -7.286
135 HA LYS 21 HA LYS 21 -2.324 5.918 -8.340
136 HB2 LYS 21 HB3 LYS 21 -0.111 7.715 -9.322
137 HB3 LYS 21 HB2 LYS 21 -0.600 6.186 -10.046
138 HG2 LYS 21 HG3 LYS 21 -2.284 8.633 -9.787
139 HG3 LYS 21 HG2 LYS 21 -1.449 8.146 -11.271
140 HD2 LYS 21 HD3 LYS 21 -2.762 6.003 -11.178
141 HD3 LYS 21 HD2 LYS 21 -3.675 6.687 -9.835
142 HE2 LYS 21 HE3 LYS 21 -4.922 6.988 -11.879
143 HE3 LYS 21 HE2 LYS 21 -4.366 8.547 -11.283
144 HZ1 LYS 21 HZ1 LYS 21 -2.634 8.569 -12.906
145 HZ2 LYS 21 HZ2 LYS 21 -4.097 8.238 -13.690
146 HZ3 LYS 21 HZ3 LYS 21 -3.007 6.999 -13.414
147 H LEU 22 H LEU 22 -1.523 5.906 -5.644
148 HA LEU 22 HA LEU 22 1.225 5.221 -5.649
149 HB2 LEU 22 HB3 LEU 22 -0.756 5.569 -3.421
150 HB3 LEU 22 HB2 LEU 22 0.963 5.311 -3.274
151 HG LEU 22 HG LEU 22 -0.459 7.759 -4.260
152 HD11 LEU 22 HD11 LEU 22 1.442 7.331 -1.979
153 HD12 LEU 22 HD12 LEU 22 -0.296 7.653 -1.855
154 HD13 LEU 22 HD13 LEU 22 0.808 8.885 -2.491
155 HD21 LEU 22 HD21 LEU 22 1.821 8.753 -4.568
156 HD22 LEU 22 HD22 LEU 22 1.360 7.512 -5.733
157 HD23 LEU 22 HD23 LEU 22 2.442 7.100 -4.402
158 H VAL 23 H VAL 23 1.767 3.325 -5.247
159 HA VAL 23 HA VAL 23 -0.237 1.198 -4.876
160 HB VAL 23 HB VAL 23 1.327 -0.379 -5.967
161 HG11 VAL 23 HG11 VAL 23 1.054 0.438 -8.259
162 HG12 VAL 23 HG12 VAL 23 0.683 2.045 -7.631
163 HG13 VAL 23 HG13 VAL 23 -0.405 0.697 -7.300
164 HG21 VAL 23 HG21 VAL 23 3.264 0.445 -7.205
165 HG22 VAL 23 HG22 VAL 23 3.412 0.783 -5.474
166 HG23 VAL 23 HG23 VAL 23 2.962 2.072 -6.591
167 H CYS 24 H CYS 24 0.738 -0.799 -3.798
168 HA CYS 24 HA CYS 24 2.078 0.194 -1.401
169 HB2 CYS 24 HB3 CYS 24 -0.090 -0.922 -1.162
170 HB3 CYS 24 HB2 CYS 24 0.593 -2.381 -1.880
171 H SER 25 H SER 25 4.035 -0.561 -0.676
172 HA SER 25 HA SER 25 5.574 -2.253 -2.309
173 HB2 SER 25 HB3 SER 25 6.135 -0.971 0.359
174 HB3 SER 25 HB2 SER 25 7.301 -1.630 -0.777
175 HG SER 25 HG SER 25 5.669 0.654 -1.081
176 H ARG 26 H ARG 26 6.604 -4.248 -1.196
177 HA ARG 26 HA ARG 26 4.511 -5.459 0.439
178 HB2 ARG 26 HB3 ARG 26 5.203 -6.545 -1.720
179 HB3 ARG 26 HB2 ARG 26 6.750 -6.898 -0.966
180 HG2 ARG 26 HG3 ARG 26 5.625 -8.268 0.721
181 HG3 ARG 26 HG2 ARG 26 4.065 -7.907 -0.020
182 HD2 ARG 26 HD3 ARG 26 4.994 -8.872 -2.152
183 HD3 ARG 26 HD2 ARG 26 6.365 -9.440 -1.205
184 HE ARG 26 HE ARG 26 3.950 -10.286 -0.018
185 HH11 ARG 26 HH11 ARG 26 6.153 -11.063 -2.648
186 HH12 ARG 26 HH12 ARG 26 5.500 -12.599 -2.967
187 HH21 ARG 26 HH21 ARG 26 3.030 -12.400 -0.436
188 HH22 ARG 26 HH22 ARG 26 3.680 -13.385 -1.664
189 H LYS 27 H LYS 27 8.049 -5.634 0.338
190 HA LYS 27 HA LYS 27 8.023 -6.598 3.054
191 HB2 LYS 27 HB3 LYS 27 10.372 -5.961 1.265
192 HB3 LYS 27 HB2 LYS 27 10.464 -6.800 2.806
193 HG2 LYS 27 HG3 LYS 27 8.958 -8.547 1.812
194 HG3 LYS 27 HG2 LYS 27 9.184 -7.754 0.263
195 HD2 LYS 27 HD3 LYS 27 11.405 -8.920 1.961
196 HD3 LYS 27 HD2 LYS 27 10.656 -9.732 0.599
197 HE2 LYS 27 HE3 LYS 27 12.674 -8.860 -0.236
198 HE3 LYS 27 HE2 LYS 27 11.437 -7.751 -0.805
199 HZ1 LYS 27 HZ1 LYS 27 13.160 -7.269 1.572
200 HZ2 LYS 27 HZ2 LYS 27 12.102 -6.155 0.875
201 HZ3 LYS 27 HZ3 LYS 27 13.457 -6.666 0.041
202 H THR 28 H THR 28 8.488 -3.621 1.386
203 HA THR 28 HA THR 28 9.581 -2.374 3.769
204 HB THR 28 HB THR 28 9.357 -0.283 2.187
205 HG1 THR 28 HG1 THR 28 9.424 -0.909 0.003
206 HG21 THR 28 HG21 THR 28 11.534 -0.870 1.165
207 HG22 THR 28 HG22 THR 28 11.303 -2.539 1.714
208 HG23 THR 28 HG23 THR 28 11.473 -1.241 2.889
209 H ARG 29 H ARG 29 6.696 -2.744 2.072
210 HA ARG 29 HA ARG 29 4.604 -2.069 2.276
211 HB2 ARG 29 HB3 ARG 29 4.804 -3.762 3.966
212 HB3 ARG 29 HB2 ARG 29 5.277 -2.570 5.158
213 HG2 ARG 29 HG3 ARG 29 3.066 -1.558 5.042
214 HG3 ARG 29 HG2 ARG 29 2.592 -2.716 3.797
215 HD2 ARG 29 HD3 ARG 29 2.827 -4.540 5.307
216 HD3 ARG 29 HD2 ARG 29 3.538 -3.504 6.539
217 HE ARG 29 HE ARG 29 0.832 -3.005 5.589
218 HH11 ARG 29 HH11 ARG 29 3.018 -3.957 8.236
219 HH12 ARG 29 HH12 ARG 29 1.829 -3.889 9.442
220 HH21 ARG 29 HH21 ARG 29 -0.813 -2.914 7.280
221 HH22 ARG 29 HH22 ARG 29 -0.397 -3.281 8.883
222 H TRP 30 H TRP 30 5.295 0.013 1.521
223 HA TRP 30 HA TRP 30 3.719 1.963 2.882
224 HB2 TRP 30 HB3 TRP 30 5.306 3.789 2.569
225 HB3 TRP 30 HB2 TRP 30 5.896 2.678 3.766
226 HD1 TRP 30 HD1 TRP 30 6.444 3.472 0.000
227 HE1 TRP 30 HE1 TRP 30 8.941 3.220 -0.536
228 HE3 TRP 30 HE3 TRP 30 8.082 1.838 4.537
229 HZ2 TRP 30 HZ2 TRP 30 11.299 2.442 0.784
230 HZ3 TRP 30 HZ3 TRP 30 10.504 1.373 4.819
231 HH2 TRP 30 HH2 TRP 30 12.056 1.672 2.976
232 H CYS 31 H CYS 31 3.731 3.896 1.376
233 HA CYS 31 HA CYS 31 2.739 2.672 -0.984
234 HB2 CYS 31 HB3 CYS 31 2.426 5.258 0.404
235 HB3 CYS 31 HB2 CYS 31 1.826 5.065 -1.249
236 H LYS 32 H LYS 32 3.580 2.972 -2.950
237 HA LYS 32 HA LYS 32 6.155 4.304 -3.147
238 HB2 LYS 32 HB3 LYS 32 4.641 2.818 -5.292
239 HB3 LYS 32 HB2 LYS 32 6.335 3.295 -5.327
240 HG2 LYS 32 HG3 LYS 32 6.768 1.829 -3.425
241 HG3 LYS 32 HG2 LYS 32 5.075 1.367 -3.441
242 HD2 LYS 32 HD3 LYS 32 6.338 -0.366 -4.561
243 HD3 LYS 32 HD2 LYS 32 5.418 0.506 -5.781
244 HE2 LYS 32 HE3 LYS 32 7.662 0.104 -6.579
245 HE3 LYS 32 HE2 LYS 32 7.429 1.830 -6.323
246 HZ1 LYS 32 HZ1 LYS 32 8.814 -0.039 -4.483
247 HZ2 LYS 32 HZ2 LYS 32 8.643 1.622 -4.207
248 HZ3 LYS 32 HZ3 LYS 32 9.554 1.062 -5.497
249 H TRP 33 H TRP 33 6.444 6.135 -4.070
250 HA TRP 33 HA TRP 33 4.162 7.789 -4.509
251 HB2 TRP 33 HB3 TRP 33 6.313 8.579 -3.458
252 HB3 TRP 33 HB2 TRP 33 7.033 8.509 -5.064
253 HD1 TRP 33 HD1 TRP 33 6.894 10.643 -6.412
254 HE1 TRP 33 HE1 TRP 33 5.457 12.813 -6.333
255 HE3 TRP 33 HE3 TRP 33 3.714 9.406 -2.627
256 HZ2 TRP 33 HZ2 TRP 33 3.316 13.832 -4.872
257 HZ3 TRP 33 HZ3 TRP 33 2.000 11.032 -1.945
258 HH2 TRP 33 HH2 TRP 33 1.814 13.199 -3.048
259 H GLN 34 H GLN 34 3.659 8.967 -6.428
260 HA GLN 34 HA GLN 34 3.555 7.284 -8.671
261 HB2 GLN 34 HB3 GLN 34 2.416 9.177 -9.794
262 HB3 GLN 34 HB2 GLN 34 1.731 8.777 -8.230
263 HG2 GLN 34 HG3 GLN 34 3.011 10.689 -7.255
264 HG3 GLN 34 HG2 GLN 34 3.513 11.111 -8.887
265 HE21 GLN 34 HE21 GLN 34 0.906 10.343 -10.020
266 HE22 GLN 34 HE22 GLN 34 -0.182 11.603 -9.561
267 H ILE 35 H ILE 35 5.731 9.774 -7.785
268 HA ILE 35 HA ILE 35 7.141 9.470 -10.346
269 HB ILE 35 HB ILE 35 7.342 11.778 -8.368
270 HG12 ILE 35 HG12 ILE 35 6.096 11.712 -11.135
271 HG13 ILE 35 HG11 ILE 35 5.209 11.749 -9.618
272 HG21 ILE 35 HG21 ILE 35 8.722 12.873 -10.092
273 HG22 ILE 35 HG22 ILE 35 8.627 11.419 -11.084
274 HG23 ILE 35 HG23 ILE 35 9.455 11.370 -9.529
275 HD11 ILE 35 HD11 ILE 35 6.130 13.940 -9.123
276 HD12 ILE 35 HD12 ILE 35 5.277 13.935 -10.668
277 HD13 ILE 35 HD13 ILE 35 7.042 13.907 -10.632
278 HN1 NH2 36 HN1 NH2 36 8.477 7.812 -9.916
279 HN2 NH2 36 HN2 NH2 36 9.551 7.706 -8.569
Start of MODEL 18
1 H1 GLY 1 H1 GLY 1 -9.452 6.372 2.434
2 H2 GLY 1 H2 GLY 1 -9.132 5.293 1.194
3 H3 GLY 1 H3 GLY 1 -10.713 5.848 1.444
4 HA2 GLY 1 HA2 GLY 1 -9.691 6.962 -0.446
5 HA3 GLY 1 HA3 GLY 1 -10.051 8.094 0.855
6 H CYS 2 H CYS 2 -7.551 6.091 -0.580
7 HA CYS 2 HA CYS 2 -5.419 6.271 -0.849
8 HB2 CYS 2 HB3 CYS 2 -5.617 9.099 0.160
9 HB3 CYS 2 HB2 CYS 2 -4.229 8.332 -0.575
10 H LEU 3 H LEU 3 -3.314 6.691 0.317
11 HA LEU 3 HA LEU 3 -3.523 6.320 3.159
12 HB2 LEU 3 HB3 LEU 3 -1.959 4.599 1.234
13 HB3 LEU 3 HB2 LEU 3 -1.889 4.539 2.969
14 HG LEU 3 HG LEU 3 -4.291 3.777 1.289
15 HD11 LEU 3 HD11 LEU 3 -3.791 1.491 1.968
16 HD12 LEU 3 HD12 LEU 3 -2.361 2.053 2.829
17 HD13 LEU 3 HD13 LEU 3 -2.441 2.188 1.072
18 HD21 LEU 3 HD21 LEU 3 -4.952 4.621 3.475
19 HD22 LEU 3 HD22 LEU 3 -3.810 3.523 4.251
20 HD23 LEU 3 HD23 LEU 3 -5.204 2.876 3.383
21 H GLY 4 H GLY 4 -1.800 7.299 4.074
22 HA2 GLY 4 HA3 GLY 4 -0.222 9.154 2.698
23 HA3 GLY 4 HA2 GLY 4 0.135 8.551 4.315
24 H ILE 5 H ILE 5 1.953 9.236 2.375
25 HA ILE 5 HA ILE 5 2.786 7.141 0.818
26 HB ILE 5 HB ILE 5 3.468 9.308 0.165
27 HG12 ILE 5 HG13 ILE 5 5.776 7.826 1.304
28 HG13 ILE 5 HG12 ILE 5 5.076 7.626 -0.305
29 HG21 ILE 5 HG21 ILE 5 4.866 10.794 1.525
30 HG22 ILE 5 HG22 ILE 5 4.795 9.640 2.853
31 HG23 ILE 5 HG23 ILE 5 3.326 10.447 2.309
32 HD11 ILE 5 HD11 ILE 5 7.197 8.884 -0.408
33 HD12 ILE 5 HD12 ILE 5 6.539 10.074 0.711
34 HD13 ILE 5 HD13 ILE 5 5.839 9.898 -0.898
35 H TRP 6 H TRP 6 3.662 7.897 3.995
36 HA TRP 6 HA TRP 6 5.512 5.723 3.859
37 HB2 TRP 6 HB3 TRP 6 5.144 7.839 5.875
38 HB3 TRP 6 HB2 TRP 6 6.350 6.549 6.035
39 HD1 TRP 6 HD1 TRP 6 6.075 9.965 4.834
40 HE1 TRP 6 HE1 TRP 6 7.980 10.581 3.175
41 HE3 TRP 6 HE3 TRP 6 7.839 5.285 3.859
42 HZ2 TRP 6 HZ2 TRP 6 9.953 9.234 1.676
43 HZ3 TRP 6 HZ3 TRP 6 9.722 5.024 2.304
44 HH2 TRP 6 HH2 TRP 6 10.756 6.966 1.236
45 H LYS 7 H LYS 7 2.519 5.648 4.112
46 HA LYS 7 HA LYS 7 2.205 4.606 6.782
47 HB2 LYS 7 HB3 LYS 7 0.309 5.132 4.563
48 HB3 LYS 7 HB2 LYS 7 -0.143 4.126 5.914
49 HG2 LYS 7 HG3 LYS 7 0.532 6.108 7.391
50 HG3 LYS 7 HG2 LYS 7 0.556 7.048 5.896
51 HD2 LYS 7 HD3 LYS 7 -1.788 6.390 5.472
52 HD3 LYS 7 HD2 LYS 7 -1.786 5.495 6.979
53 HE2 LYS 7 HE3 LYS 7 -1.342 7.565 8.214
54 HE3 LYS 7 HE2 LYS 7 -1.381 8.464 6.700
55 HZ1 LYS 7 HZ1 LYS 7 -3.688 7.766 6.409
56 HZ2 LYS 7 HZ2 LYS 7 -3.496 8.619 7.831
57 HZ3 LYS 7 HZ3 LYS 7 -3.655 6.937 7.868
58 H ALA 8 H ALA 8 1.524 2.590 7.271
59 HA ALA 8 HA ALA 8 2.678 0.551 5.621
60 HB1 ALA 8 HB1 ALA 8 2.943 0.456 8.053
61 HB2 ALA 8 HB2 ALA 8 2.072 -0.960 7.462
62 HB3 ALA 8 HB3 ALA 8 1.193 0.354 8.245
63 H CYS 9 H CYS 9 1.566 -0.080 3.940
64 HA CYS 9 HA CYS 9 -1.322 -0.156 4.058
65 HB2 CYS 9 HB3 CYS 9 -1.046 -0.729 1.628
66 HB3 CYS 9 HB2 CYS 9 -0.583 0.885 2.093
67 H ASN 10 H ASN 10 -1.980 -2.100 2.375
68 HA ASN 10 HA ASN 10 -1.150 -4.487 3.805
69 HB2 ASN 10 HB3 ASN 10 -3.618 -3.713 2.307
70 HB3 ASN 10 HB2 ASN 10 -3.277 -5.359 2.787
71 HD21 ASN 10 HD21 ASN 10 -5.077 -5.489 4.085
72 HD22 ASN 10 HD22 ASN 10 -5.284 -4.605 5.545
73 HA PRO 11 HA PRO 11 0.967 -5.443 -0.148
74 HB2 PRO 11 HB3 PRO 11 0.875 -8.020 1.357
75 HB3 PRO 11 HB2 PRO 11 2.187 -7.324 0.400
76 HG2 PRO 11 HG3 PRO 11 2.279 -7.171 3.044
77 HG3 PRO 11 HG2 PRO 11 2.733 -5.762 2.067
78 HD2 PRO 11 HD3 PRO 11 0.245 -6.251 3.631
79 HD3 PRO 11 HD2 PRO 11 1.110 -4.735 3.324
80 H SER 12 H SER 12 -1.519 -7.336 1.472
81 HA SER 12 HA SER 12 -2.322 -8.632 -1.006
82 HB2 SER 12 HB3 SER 12 -2.053 -9.929 1.098
83 HB3 SER 12 HB2 SER 12 -3.370 -9.000 1.806
84 HG SER 12 HG SER 12 -4.621 -9.796 -0.060
85 H ASN 13 H ASN 13 -2.959 -5.633 0.082
86 HA ASN 13 HA ASN 13 -5.494 -5.559 -1.187
87 HB2 ASN 13 HB3 ASN 13 -6.243 -6.070 1.107
88 HB3 ASN 13 HB2 ASN 13 -5.287 -4.732 1.732
89 HD21 ASN 13 HD21 ASN 13 -7.033 -3.640 2.567
90 HD22 ASN 13 HD22 ASN 13 -8.218 -2.888 1.566
91 H ASP 14 H ASP 14 -4.338 -4.416 -2.590
92 HA ASP 14 HA ASP 14 -2.812 -2.208 -1.691
93 HB2 ASP 14 HB3 ASP 14 -1.992 -3.504 -3.523
94 HB3 ASP 14 HB2 ASP 14 -3.464 -3.183 -4.450
95 H GLN 15 H GLN 15 -3.898 -0.520 -1.141
96 HA GLN 15 HA GLN 15 -6.005 0.478 -2.944
97 HB2 GLN 15 HB3 GLN 15 -6.774 0.191 -0.565
98 HB3 GLN 15 HB2 GLN 15 -5.585 1.401 -0.086
99 HG2 GLN 15 HG3 GLN 15 -6.732 2.879 -1.887
100 HG3 GLN 15 HG2 GLN 15 -8.072 1.751 -1.720
101 HE21 GLN 15 HE21 GLN 15 -7.352 1.443 1.157
102 HE22 GLN 15 HE22 GLN 15 -7.991 2.862 1.910
103 H CYS 16 H CYS 16 -3.851 1.865 -0.501
104 HA CYS 16 HA CYS 16 -2.645 3.714 -0.443
105 HB2 CYS 16 HB3 CYS 16 -1.925 2.135 -2.678
106 HB3 CYS 16 HB2 CYS 16 -1.500 3.830 -2.975
107 H CYS 17 H CYS 17 -2.001 5.581 -2.573
108 HA CYS 17 HA CYS 17 -4.669 6.723 -2.655
109 HB2 CYS 17 HB3 CYS 17 -2.608 8.068 -1.950
110 HB3 CYS 17 HB2 CYS 17 -2.252 8.056 -3.686
111 H LYS 18 H LYS 18 -5.701 5.880 -4.115
112 HA LYS 18 HA LYS 18 -4.667 5.031 -6.636
113 HB2 LYS 18 HB3 LYS 18 -7.572 5.457 -5.852
114 HB3 LYS 18 HB2 LYS 18 -6.997 4.568 -7.246
115 HG2 LYS 18 HG3 LYS 18 -5.942 2.907 -5.751
116 HG3 LYS 18 HG2 LYS 18 -6.558 3.780 -4.355
117 HD2 LYS 18 HD3 LYS 18 -8.830 3.369 -5.034
118 HD3 LYS 18 HD2 LYS 18 -8.280 2.608 -6.529
119 HE2 LYS 18 HE3 LYS 18 -7.232 0.825 -5.293
120 HE3 LYS 18 HE2 LYS 18 -7.602 1.624 -3.768
121 HZ1 LYS 18 HZ1 LYS 18 -9.927 1.262 -4.138
122 HZ2 LYS 18 HZ2 LYS 18 -9.126 -0.203 -4.294
123 HZ3 LYS 18 HZ3 LYS 18 -9.651 0.612 -5.671
124 H SER 19 H SER 19 -6.112 7.843 -5.386
125 HA SER 19 HA SER 19 -6.695 9.173 -7.805
126 HB2 SER 19 HB3 SER 19 -7.673 9.806 -5.616
127 HB3 SER 19 HB2 SER 19 -6.090 10.360 -5.086
128 HG SER 19 HG SER 19 -7.881 11.475 -6.893
129 H SER 20 H SER 20 -3.722 8.930 -5.859
130 HA SER 20 HA SER 20 -2.491 10.891 -7.654
131 HB2 SER 20 HB3 SER 20 -1.564 9.878 -4.988
132 HB3 SER 20 HB2 SER 20 -0.776 11.126 -5.972
133 HG SER 20 HG SER 20 -3.326 11.781 -5.724
134 H LYS 21 H LYS 21 -2.987 7.803 -7.524
135 HA LYS 21 HA LYS 21 -2.201 6.017 -8.472
136 HB2 LYS 21 HB3 LYS 21 -0.270 7.881 -9.840
137 HB3 LYS 21 HB2 LYS 21 -0.658 6.244 -10.363
138 HG2 LYS 21 HG3 LYS 21 -2.580 8.520 -10.147
139 HG3 LYS 21 HG2 LYS 21 -1.862 7.965 -11.667
140 HD2 LYS 21 HD3 LYS 21 -2.907 5.715 -11.224
141 HD3 LYS 21 HD2 LYS 21 -3.716 6.423 -9.831
142 HE2 LYS 21 HE3 LYS 21 -5.229 6.359 -11.712
143 HE3 LYS 21 HE2 LYS 21 -4.838 8.031 -11.315
144 HZ1 LYS 21 HZ1 LYS 21 -3.549 6.464 -13.479
145 HZ2 LYS 21 HZ2 LYS 21 -3.321 8.110 -13.177
146 HZ3 LYS 21 HZ3 LYS 21 -4.811 7.540 -13.708
147 H LEU 22 H LEU 22 -1.279 6.338 -5.940
148 HA LEU 22 HA LEU 22 1.509 5.727 -5.884
149 HB2 LEU 22 HB3 LEU 22 -0.544 6.156 -3.729
150 HB3 LEU 22 HB2 LEU 22 1.172 6.006 -3.499
151 HG LEU 22 HG LEU 22 -0.344 8.310 -4.693
152 HD11 LEU 22 HD11 LEU 22 1.387 8.089 -2.244
153 HD12 LEU 22 HD12 LEU 22 -0.372 8.188 -2.274
154 HD13 LEU 22 HD13 LEU 22 0.598 9.556 -2.819
155 HD21 LEU 22 HD21 LEU 22 1.813 9.458 -4.931
156 HD22 LEU 22 HD22 LEU 22 1.702 8.033 -5.965
157 HD23 LEU 22 HD23 LEU 22 2.640 7.967 -4.474
158 H VAL 23 H VAL 23 1.973 3.752 -5.368
159 HA VAL 23 HA VAL 23 -0.195 1.783 -5.020
160 HB VAL 23 HB VAL 23 1.294 0.095 -6.104
161 HG11 VAL 23 HG11 VAL 23 0.582 2.503 -7.789
162 HG12 VAL 23 HG12 VAL 23 -0.503 1.182 -7.363
163 HG13 VAL 23 HG13 VAL 23 0.885 0.879 -8.407
164 HG21 VAL 23 HG21 VAL 23 3.439 1.181 -5.773
165 HG22 VAL 23 HG22 VAL 23 2.948 2.516 -6.814
166 HG23 VAL 23 HG23 VAL 23 3.165 0.903 -7.494
167 H CYS 24 H CYS 24 0.263 -0.131 -3.764
168 HA CYS 24 HA CYS 24 1.792 0.577 -1.431
169 HB2 CYS 24 HB3 CYS 24 -0.396 -0.358 -1.099
170 HB3 CYS 24 HB2 CYS 24 -0.010 -1.760 -2.082
171 H SER 25 H SER 25 3.650 -0.369 -0.715
172 HA SER 25 HA SER 25 4.968 -2.123 -2.474
173 HB2 SER 25 HB3 SER 25 5.856 -0.641 -0.028
174 HB3 SER 25 HB2 SER 25 6.881 -1.455 -1.205
175 HG SER 25 HG SER 25 5.439 0.898 -1.403
176 H ARG 26 H ARG 26 6.120 -4.035 -1.358
177 HA ARG 26 HA ARG 26 4.306 -5.071 0.707
178 HB2 ARG 26 HB3 ARG 26 4.314 -6.404 -1.353
179 HB3 ARG 26 HB2 ARG 26 6.056 -6.610 -1.152
180 HG2 ARG 26 HG3 ARG 26 5.781 -7.896 0.824
181 HG3 ARG 26 HG2 ARG 26 4.056 -7.582 0.889
182 HD2 ARG 26 HD3 ARG 26 3.823 -8.812 -1.262
183 HD3 ARG 26 HD2 ARG 26 5.545 -9.196 -1.181
184 HE ARG 26 HE ARG 26 4.189 -9.937 1.194
185 HH11 ARG 26 HH11 ARG 26 4.701 -11.025 -2.148
186 HH12 ARG 26 HH12 ARG 26 4.459 -12.668 -1.792
187 HH21 ARG 26 HH21 ARG 26 3.818 -12.215 1.660
188 HH22 ARG 26 HH22 ARG 26 3.958 -13.351 0.404
189 H LYS 27 H LYS 27 7.702 -5.453 -0.225
190 HA LYS 27 HA LYS 27 8.267 -6.558 2.322
191 HB2 LYS 27 HB3 LYS 27 9.508 -7.195 0.252
192 HB3 LYS 27 HB2 LYS 27 10.247 -5.597 0.249
193 HG2 LYS 27 HG3 LYS 27 11.788 -7.168 1.213
194 HG3 LYS 27 HG2 LYS 27 11.200 -6.081 2.476
195 HD2 LYS 27 HD3 LYS 27 9.498 -7.839 3.073
196 HD3 LYS 27 HD2 LYS 27 10.317 -8.909 1.939
197 HE2 LYS 27 HE3 LYS 27 11.093 -9.383 4.149
198 HE3 LYS 27 HE2 LYS 27 12.393 -8.587 3.261
199 HZ1 LYS 27 HZ1 LYS 27 10.574 -7.304 5.218
200 HZ2 LYS 27 HZ2 LYS 27 11.758 -6.492 4.355
201 HZ3 LYS 27 HZ3 LYS 27 12.194 -7.679 5.472
202 H THR 28 H THR 28 8.423 -3.439 0.897
203 HA THR 28 HA THR 28 9.891 -2.391 3.194
204 HB THR 28 HB THR 28 9.719 -0.178 2.069
205 HG1 THR 28 HG1 THR 28 8.454 0.129 0.443
206 HG21 THR 28 HG21 THR 28 11.599 -1.584 1.466
207 HG22 THR 28 HG22 THR 28 11.034 -0.710 0.040
208 HG23 THR 28 HG23 THR 28 10.623 -2.412 0.256
209 H ARG 29 H ARG 29 6.805 -2.539 1.814
210 HA ARG 29 HA ARG 29 4.726 -2.117 2.397
211 HB2 ARG 29 HB3 ARG 29 5.301 -3.783 4.108
212 HB3 ARG 29 HB2 ARG 29 5.715 -2.481 5.212
213 HG2 ARG 29 HG3 ARG 29 3.416 -1.687 5.157
214 HG3 ARG 29 HG2 ARG 29 2.992 -2.980 4.033
215 HD2 ARG 29 HD3 ARG 29 3.617 -4.635 5.683
216 HD3 ARG 29 HD2 ARG 29 4.095 -3.353 6.795
217 HE ARG 29 HE ARG 29 1.368 -3.303 5.829
218 HH11 ARG 29 HH11 ARG 29 3.589 -4.113 8.484
219 HH12 ARG 29 HH12 ARG 29 2.355 -4.266 9.649
220 HH21 ARG 29 HH21 ARG 29 -0.312 -3.493 7.500
221 HH22 ARG 29 HH22 ARG 29 0.156 -3.933 9.085
222 H TRP 30 H TRP 30 4.920 -0.093 1.570
223 HA TRP 30 HA TRP 30 3.653 1.876 3.063
224 HB2 TRP 30 HB3 TRP 30 5.304 3.704 2.750
225 HB3 TRP 30 HB2 TRP 30 5.831 2.553 3.948
226 HD1 TRP 30 HD1 TRP 30 6.414 2.969 0.110
227 HE1 TRP 30 HE1 TRP 30 8.890 2.701 -0.367
228 HE3 TRP 30 HE3 TRP 30 8.012 2.111 4.879
229 HZ2 TRP 30 HZ2 TRP 30 11.288 2.205 1.124
230 HZ3 TRP 30 HZ3 TRP 30 10.421 1.763 5.273
231 HH2 TRP 30 HH2 TRP 30 12.014 1.811 3.432
232 H CYS 31 H CYS 31 3.828 3.909 1.560
233 HA CYS 31 HA CYS 31 2.706 2.710 -0.803
234 HB2 CYS 31 HB3 CYS 31 1.573 4.508 0.836
235 HB3 CYS 31 HB2 CYS 31 2.501 5.595 -0.180
236 H LYS 32 H LYS 32 3.523 3.318 -2.841
237 HA LYS 32 HA LYS 32 6.152 4.538 -2.797
238 HB2 LYS 32 HB3 LYS 32 4.591 3.329 -5.074
239 HB3 LYS 32 HB2 LYS 32 6.173 4.075 -5.249
240 HG2 LYS 32 HG3 LYS 32 7.049 2.456 -3.625
241 HG3 LYS 32 HG2 LYS 32 5.484 1.658 -3.630
242 HD2 LYS 32 HD3 LYS 32 5.673 1.198 -6.015
243 HD3 LYS 32 HD2 LYS 32 7.175 2.109 -6.098
244 HE2 LYS 32 HE3 LYS 32 7.640 -0.272 -6.075
245 HE3 LYS 32 HE2 LYS 32 8.234 0.479 -4.596
246 HZ1 LYS 32 HZ1 LYS 32 6.242 -0.323 -3.467
247 HZ2 LYS 32 HZ2 LYS 32 7.156 -1.576 -4.108
248 HZ3 LYS 32 HZ3 LYS 32 5.741 -1.104 -4.892
249 H TRP 33 H TRP 33 6.674 6.424 -3.503
250 HA TRP 33 HA TRP 33 4.600 8.357 -3.797
251 HB2 TRP 33 HB3 TRP 33 6.760 8.647 -2.511
252 HB3 TRP 33 HB2 TRP 33 7.580 8.731 -4.058
253 HD1 TRP 33 HD1 TRP 33 4.245 10.523 -3.275
254 HE1 TRP 33 HE1 TRP 33 4.641 13.053 -3.475
255 HE3 TRP 33 HE3 TRP 33 9.299 10.504 -4.001
256 HZ2 TRP 33 HZ2 TRP 33 6.793 14.804 -3.870
257 HZ3 TRP 33 HZ3 TRP 33 10.459 12.659 -4.266
258 HH2 TRP 33 HH2 TRP 33 9.227 14.763 -4.202
259 H GLN 34 H GLN 34 4.394 9.721 -5.573
260 HA GLN 34 HA GLN 34 4.385 8.339 -8.077
261 HB2 GLN 34 HB3 GLN 34 3.163 10.371 -8.829
262 HB3 GLN 34 HB2 GLN 34 2.471 9.582 -7.415
263 HG2 GLN 34 HG3 GLN 34 3.724 11.285 -6.013
264 HG3 GLN 34 HG2 GLN 34 4.069 12.124 -7.521
265 HE21 GLN 34 HE21 GLN 34 2.410 13.136 -8.603
266 HE22 GLN 34 HE22 GLN 34 0.901 13.466 -7.851
267 H ILE 35 H ILE 35 6.867 9.815 -6.753
268 HA ILE 35 HA ILE 35 7.911 10.741 -9.322
269 HB ILE 35 HB ILE 35 8.366 12.225 -6.691
270 HG12 ILE 35 HG12 ILE 35 6.908 13.119 -9.201
271 HG13 ILE 35 HG11 ILE 35 6.137 12.644 -7.698
272 HG21 ILE 35 HG21 ILE 35 10.367 12.238 -8.098
273 HG22 ILE 35 HG22 ILE 35 9.637 13.843 -8.046
274 HG23 ILE 35 HG23 ILE 35 9.416 12.819 -9.465
275 HD11 ILE 35 HD11 ILE 35 6.198 15.057 -7.944
276 HD12 ILE 35 HD12 ILE 35 7.953 15.008 -8.085
277 HD13 ILE 35 HD13 ILE 35 7.178 14.544 -6.569
278 HN1 NH2 36 HN1 NH2 36 9.272 10.636 -6.072
279 HN2 NH2 36 HN2 NH2 36 10.470 9.439 -6.421
Start of MODEL 19
1 H1 GLY 1 H1 GLY 1 -10.567 7.342 -0.801
2 H2 GLY 1 H2 GLY 1 -9.931 8.490 0.284
3 H3 GLY 1 H3 GLY 1 -11.375 7.694 0.657
4 HA2 GLY 1 HA2 GLY 1 -9.555 6.789 1.894
5 HA3 GLY 1 HA3 GLY 1 -10.185 5.610 0.747
6 H CYS 2 H CYS 2 -7.533 7.480 1.718
7 HA CYS 2 HA CYS 2 -5.841 6.156 -0.258
8 HB2 CYS 2 HB3 CYS 2 -5.663 9.034 0.608
9 HB3 CYS 2 HB2 CYS 2 -4.444 8.201 -0.292
10 H LEU 3 H LEU 3 -3.508 6.501 0.523
11 HA LEU 3 HA LEU 3 -3.239 6.704 3.386
12 HB2 LEU 3 HB3 LEU 3 -2.113 4.613 1.532
13 HB3 LEU 3 HB2 LEU 3 -1.531 4.902 3.153
14 HG LEU 3 HG LEU 3 -4.329 4.031 2.468
15 HD11 LEU 3 HD11 LEU 3 -3.636 1.826 3.324
16 HD12 LEU 3 HD12 LEU 3 -1.987 2.426 3.504
17 HD13 LEU 3 HD13 LEU 3 -2.706 2.292 1.899
18 HD21 LEU 3 HD21 LEU 3 -4.453 3.498 4.882
19 HD22 LEU 3 HD22 LEU 3 -4.228 5.216 4.573
20 HD23 LEU 3 HD23 LEU 3 -2.865 4.229 5.102
21 H GLY 4 H GLY 4 -1.162 7.484 3.900
22 HA2 GLY 4 HA3 GLY 4 0.049 9.154 1.879
23 HA3 GLY 4 HA2 GLY 4 0.587 8.989 3.551
24 H ILE 5 H ILE 5 2.441 9.171 1.761
25 HA ILE 5 HA ILE 5 3.112 6.796 0.495
26 HB ILE 5 HB ILE 5 3.891 8.941 -0.359
27 HG12 ILE 5 HG13 ILE 5 6.110 7.233 0.636
28 HG13 ILE 5 HG12 ILE 5 5.160 6.984 -0.834
29 HG21 ILE 5 HG21 ILE 5 5.656 10.221 0.786
30 HG22 ILE 5 HG22 ILE 5 5.494 9.155 2.180
31 HG23 ILE 5 HG23 ILE 5 4.146 10.181 1.695
32 HD11 ILE 5 HD11 ILE 5 7.360 7.938 -1.396
33 HD12 ILE 5 HD12 ILE 5 7.059 9.281 -0.297
34 HD13 ILE 5 HD13 ILE 5 6.080 9.102 -1.749
35 H TRP 6 H TRP 6 3.917 7.984 3.566
36 HA TRP 6 HA TRP 6 5.662 5.747 3.879
37 HB2 TRP 6 HB3 TRP 6 5.175 8.059 5.658
38 HB3 TRP 6 HB2 TRP 6 6.327 6.766 6.022
39 HD1 TRP 6 HD1 TRP 6 6.259 10.060 4.660
40 HE1 TRP 6 HE1 TRP 6 8.308 10.583 3.167
41 HE3 TRP 6 HE3 TRP 6 7.932 5.305 3.969
42 HZ2 TRP 6 HZ2 TRP 6 10.357 9.108 1.844
43 HZ3 TRP 6 HZ3 TRP 6 9.917 4.929 2.582
44 HH2 TRP 6 HH2 TRP 6 11.105 6.796 1.539
45 H LYS 7 H LYS 7 2.633 5.797 3.914
46 HA LYS 7 HA LYS 7 2.081 4.959 6.627
47 HB2 LYS 7 HB3 LYS 7 0.398 5.506 4.248
48 HB3 LYS 7 HB2 LYS 7 -0.236 4.609 5.600
49 HG2 LYS 7 HG3 LYS 7 0.890 7.414 5.743
50 HG3 LYS 7 HG2 LYS 7 -0.823 7.004 5.686
51 HD2 LYS 7 HD3 LYS 7 -0.524 5.701 7.797
52 HD3 LYS 7 HD2 LYS 7 1.131 6.299 7.880
53 HE2 LYS 7 HE3 LYS 7 -1.332 8.035 7.839
54 HE3 LYS 7 HE2 LYS 7 -0.455 7.580 9.294
55 HZ1 LYS 7 HZ1 LYS 7 0.147 9.795 8.493
56 HZ2 LYS 7 HZ2 LYS 7 0.715 9.155 7.041
57 HZ3 LYS 7 HZ3 LYS 7 1.462 8.763 8.487
58 H ALA 8 H ALA 8 1.277 3.002 7.157
59 HA ALA 8 HA ALA 8 2.428 0.854 5.650
60 HB1 ALA 8 HB1 ALA 8 1.756 -0.548 7.534
61 HB2 ALA 8 HB2 ALA 8 0.847 0.795 8.223
62 HB3 ALA 8 HB3 ALA 8 2.605 0.891 8.097
63 H CYS 9 H CYS 9 1.385 0.155 3.985
64 HA CYS 9 HA CYS 9 -1.512 0.160 3.882
65 HB2 CYS 9 HB3 CYS 9 -0.986 -0.643 1.541
66 HB3 CYS 9 HB2 CYS 9 -0.589 1.017 1.919
67 H ASN 10 H ASN 10 -2.129 -1.882 2.328
68 HA ASN 10 HA ASN 10 -1.147 -4.223 3.710
69 HB2 ASN 10 HB3 ASN 10 -3.898 -3.395 2.869
70 HB3 ASN 10 HB2 ASN 10 -3.475 -5.062 3.207
71 HD21 ASN 10 HD21 ASN 10 -2.961 -5.615 5.412
72 HD22 ASN 10 HD22 ASN 10 -3.433 -4.582 6.709
73 HA PRO 11 HA PRO 11 0.167 -4.827 -0.579
74 HB2 PRO 11 HB3 PRO 11 0.674 -7.485 0.677
75 HB3 PRO 11 HB2 PRO 11 1.704 -6.556 -0.416
76 HG2 PRO 11 HG3 PRO 11 2.274 -6.563 2.148
77 HG3 PRO 11 HG2 PRO 11 2.286 -5.019 1.275
78 HD2 PRO 11 HD3 PRO 11 0.200 -6.128 3.113
79 HD3 PRO 11 HD2 PRO 11 0.825 -4.468 2.981
80 H SER 12 H SER 12 -1.760 -7.111 1.257
81 HA SER 12 HA SER 12 -2.785 -8.427 -1.102
82 HB2 SER 12 HB3 SER 12 -2.377 -9.680 1.009
83 HB3 SER 12 HB2 SER 12 -3.660 -8.751 1.782
84 HG SER 12 HG SER 12 -4.893 -9.635 -0.187
85 H ASN 13 H ASN 13 -3.549 -5.543 0.367
86 HA ASN 13 HA ASN 13 -6.158 -5.513 -0.932
87 HB2 ASN 13 HB3 ASN 13 -5.537 -4.294 1.790
88 HB3 ASN 13 HB2 ASN 13 -6.965 -3.902 0.852
89 HD21 ASN 13 HD21 ASN 13 -6.846 -4.934 3.460
90 HD22 ASN 13 HD22 ASN 13 -7.647 -6.464 3.475
91 H ASP 14 H ASP 14 -4.027 -4.916 -2.171
92 HA ASP 14 HA ASP 14 -2.834 -2.445 -1.745
93 HB2 ASP 14 HB3 ASP 14 -1.836 -4.190 -3.092
94 HB3 ASP 14 HB2 ASP 14 -3.087 -3.976 -4.320
95 H GLN 15 H GLN 15 -3.986 -0.778 -1.669
96 HA GLN 15 HA GLN 15 -5.578 0.066 -3.986
97 HB2 GLN 15 HB3 GLN 15 -7.137 -0.592 -2.197
98 HB3 GLN 15 HB2 GLN 15 -6.322 0.477 -1.073
99 HG2 GLN 15 HG3 GLN 15 -6.929 2.355 -2.705
100 HG3 GLN 15 HG2 GLN 15 -8.035 1.191 -3.432
101 HE21 GLN 15 HE21 GLN 15 -9.850 2.366 -2.851
102 HE22 GLN 15 HE22 GLN 15 -10.391 2.461 -1.219
103 H CYS 16 H CYS 16 -4.766 1.487 -0.829
104 HA CYS 16 HA CYS 16 -3.896 3.434 -0.209
105 HB2 CYS 16 HB3 CYS 16 -1.875 2.194 -1.020
106 HB3 CYS 16 HB2 CYS 16 -2.030 3.017 -2.568
107 H CYS 17 H CYS 17 -2.679 5.364 -2.180
108 HA CYS 17 HA CYS 17 -5.284 6.510 -2.818
109 HB2 CYS 17 HB3 CYS 17 -3.208 7.751 -1.693
110 HB3 CYS 17 HB2 CYS 17 -2.808 7.896 -3.395
111 H LYS 18 H LYS 18 -5.922 5.744 -4.685
112 HA LYS 18 HA LYS 18 -4.100 5.424 -6.909
113 HB2 LYS 18 HB3 LYS 18 -6.122 4.881 -8.284
114 HB3 LYS 18 HB2 LYS 18 -5.949 3.869 -6.861
115 HG2 LYS 18 HG3 LYS 18 -7.626 5.219 -5.714
116 HG3 LYS 18 HG2 LYS 18 -7.820 6.207 -7.168
117 HD2 LYS 18 HD3 LYS 18 -8.574 4.257 -8.399
118 HD3 LYS 18 HD2 LYS 18 -8.280 3.233 -6.992
119 HE2 LYS 18 HE3 LYS 18 -10.636 3.741 -7.159
120 HE3 LYS 18 HE2 LYS 18 -9.941 4.510 -5.733
121 HZ1 LYS 18 HZ1 LYS 18 -11.409 6.030 -6.884
122 HZ2 LYS 18 HZ2 LYS 18 -10.558 5.831 -8.309
123 HZ3 LYS 18 HZ3 LYS 18 -9.827 6.600 -7.010
124 H SER 19 H SER 19 -6.006 7.885 -5.624
125 HA SER 19 HA SER 19 -6.255 9.619 -7.783
126 HB2 SER 19 HB3 SER 19 -5.798 10.368 -4.899
127 HB3 SER 19 HB2 SER 19 -6.752 11.231 -6.112
128 HG SER 19 HG SER 19 -8.186 9.496 -6.150
129 H SER 20 H SER 20 -3.495 8.764 -5.727
130 HA SER 20 HA SER 20 -1.906 10.796 -7.126
131 HB2 SER 20 HB3 SER 20 -1.360 9.531 -4.446
132 HB3 SER 20 HB2 SER 20 -0.451 10.844 -5.216
133 HG SER 20 HG SER 20 -2.467 12.038 -5.150
134 H LYS 21 H LYS 21 -2.710 7.773 -7.391
135 HA LYS 21 HA LYS 21 -1.938 5.927 -8.349
136 HB2 LYS 21 HB3 LYS 21 0.411 7.648 -9.135
137 HB3 LYS 21 HB2 LYS 21 -0.057 6.125 -9.893
138 HG2 LYS 21 HG3 LYS 21 -1.746 8.579 -9.773
139 HG3 LYS 21 HG2 LYS 21 -0.738 8.162 -11.165
140 HD2 LYS 21 HD3 LYS 21 -2.024 6.080 -11.452
141 HD3 LYS 21 HD2 LYS 21 -3.006 6.487 -10.046
142 HE2 LYS 21 HE3 LYS 21 -2.823 8.138 -12.558
143 HE3 LYS 21 HE2 LYS 21 -4.120 7.003 -12.189
144 HZ1 LYS 21 HZ1 LYS 21 -4.664 8.316 -10.246
145 HZ2 LYS 21 HZ2 LYS 21 -4.756 9.254 -11.625
146 HZ3 LYS 21 HZ3 LYS 21 -3.435 9.423 -10.596
147 H LEU 22 H LEU 22 -1.431 6.035 -5.614
148 HA LEU 22 HA LEU 22 1.268 5.208 -5.205
149 HB2 LEU 22 HB3 LEU 22 -0.966 5.669 -3.293
150 HB3 LEU 22 HB2 LEU 22 0.722 5.456 -2.935
151 HG LEU 22 HG LEU 22 -0.514 7.821 -4.300
152 HD11 LEU 22 HD11 LEU 22 -0.890 7.796 -1.892
153 HD12 LEU 22 HD12 LEU 22 0.263 9.061 -2.333
154 HD13 LEU 22 HD13 LEU 22 0.839 7.558 -1.619
155 HD21 LEU 22 HD21 LEU 22 1.718 8.811 -4.239
156 HD22 LEU 22 HD22 LEU 22 1.643 7.368 -5.251
157 HD23 LEU 22 HD23 LEU 22 2.353 7.282 -3.631
158 H VAL 23 H VAL 23 1.614 3.306 -4.984
159 HA VAL 23 HA VAL 23 -0.491 1.253 -4.598
160 HB VAL 23 HB VAL 23 1.083 -0.372 -5.659
161 HG11 VAL 23 HG11 VAL 23 0.798 0.450 -7.966
162 HG12 VAL 23 HG12 VAL 23 0.388 2.045 -7.330
163 HG13 VAL 23 HG13 VAL 23 -0.661 0.665 -7.001
164 HG21 VAL 23 HG21 VAL 23 3.000 0.491 -6.944
165 HG22 VAL 23 HG22 VAL 23 3.186 0.756 -5.211
166 HG23 VAL 23 HG23 VAL 23 2.717 2.095 -6.263
167 H CYS 24 H CYS 24 0.603 -0.907 -3.556
168 HA CYS 24 HA CYS 24 1.909 0.131 -1.164
169 HB2 CYS 24 HB3 CYS 24 -0.237 -1.088 -0.916
170 HB3 CYS 24 HB2 CYS 24 0.525 -2.519 -1.596
171 H SER 25 H SER 25 3.858 -0.539 -0.515
172 HA SER 25 HA SER 25 5.401 -2.046 -2.343
173 HB2 SER 25 HB3 SER 25 6.326 0.023 -1.422
174 HB3 SER 25 HB2 SER 25 6.215 -0.638 0.203
175 HG SER 25 HG SER 25 8.175 -0.953 -1.627
176 H ARG 26 H ARG 26 6.762 -3.736 -1.606
177 HA ARG 26 HA ARG 26 5.661 -5.437 0.546
178 HB2 ARG 26 HB3 ARG 26 5.372 -6.155 -1.879
179 HB3 ARG 26 HB2 ARG 26 7.139 -6.234 -1.887
180 HG2 ARG 26 HG3 ARG 26 7.052 -7.925 -0.090
181 HG3 ARG 26 HG2 ARG 26 5.289 -7.915 -0.195
182 HD2 ARG 26 HD3 ARG 26 5.509 -8.534 -2.599
183 HD3 ARG 26 HD2 ARG 26 7.243 -8.688 -2.333
184 HE ARG 26 HE ARG 26 5.547 -10.261 -0.610
185 HH11 ARG 26 HH11 ARG 26 7.576 -10.187 -3.512
186 HH12 ARG 26 HH12 ARG 26 7.661 -11.878 -3.681
187 HH21 ARG 26 HH21 ARG 26 5.635 -12.582 -0.842
188 HH22 ARG 26 HH22 ARG 26 6.537 -13.292 -2.104
189 H LYS 27 H LYS 27 8.253 -3.751 -0.931
190 HA LYS 27 HA LYS 27 10.483 -5.162 0.058
191 HB2 LYS 27 HB3 LYS 27 10.134 -2.249 -0.653
192 HB3 LYS 27 HB2 LYS 27 11.679 -3.001 -0.297
193 HG2 LYS 27 HG3 LYS 27 9.860 -3.797 -2.564
194 HG3 LYS 27 HG2 LYS 27 11.228 -2.701 -2.718
195 HD2 LYS 27 HD3 LYS 27 11.532 -5.525 -1.690
196 HD3 LYS 27 HD2 LYS 27 11.572 -5.143 -3.400
197 HE2 LYS 27 HE3 LYS 27 13.835 -5.303 -2.573
198 HE3 LYS 27 HE2 LYS 27 13.496 -3.640 -3.004
199 HZ1 LYS 27 HZ1 LYS 27 13.323 -3.098 -0.636
200 HZ2 LYS 27 HZ2 LYS 27 14.762 -3.867 -0.950
201 HZ3 LYS 27 HZ3 LYS 27 13.522 -4.737 -0.235
202 H THR 28 H THR 28 8.198 -3.109 1.365
203 HA THR 28 HA THR 28 9.208 -3.684 3.980
204 HB THR 28 HB THR 28 8.726 -0.774 3.339
205 HG1 THR 28 HG1 THR 28 10.924 -2.296 2.961
206 HG21 THR 28 HG21 THR 28 9.894 -2.124 5.787
207 HG22 THR 28 HG22 THR 28 8.277 -1.434 5.671
208 HG23 THR 28 HG23 THR 28 9.692 -0.383 5.577
209 H ARG 29 H ARG 29 7.033 -1.072 3.366
210 HA ARG 29 HA ARG 29 4.630 -2.251 2.956
211 HB2 ARG 29 HB3 ARG 29 5.068 -3.388 5.149
212 HB3 ARG 29 HB2 ARG 29 5.126 -1.798 5.897
213 HG2 ARG 29 HG3 ARG 29 2.835 -1.402 5.125
214 HG3 ARG 29 HG2 ARG 29 2.783 -3.067 4.534
215 HD2 ARG 29 HD3 ARG 29 3.303 -3.854 6.786
216 HD3 ARG 29 HD2 ARG 29 3.297 -2.181 7.335
217 HE ARG 29 HE ARG 29 0.888 -2.852 6.005
218 HH11 ARG 29 HH11 ARG 29 2.503 -3.158 9.133
219 HH12 ARG 29 HH12 ARG 29 1.074 -3.274 10.033
220 HH21 ARG 29 HH21 ARG 29 -1.094 -3.020 7.244
221 HH22 ARG 29 HH22 ARG 29 -1.011 -3.224 8.927
222 H TRP 30 H TRP 30 4.752 -0.240 1.809
223 HA TRP 30 HA TRP 30 3.499 1.917 3.110
224 HB2 TRP 30 HB3 TRP 30 5.213 3.634 2.542
225 HB3 TRP 30 HB2 TRP 30 5.636 2.640 3.911
226 HD1 TRP 30 HD1 TRP 30 6.322 2.229 0.083
227 HE1 TRP 30 HE1 TRP 30 8.868 1.845 -0.229
228 HE3 TRP 30 HE3 TRP 30 7.808 2.559 4.956
229 HZ2 TRP 30 HZ2 TRP 30 11.165 1.720 1.372
230 HZ3 TRP 30 HZ3 TRP 30 10.198 2.312 5.475
231 HH2 TRP 30 HH2 TRP 30 11.834 1.902 3.717
232 H CYS 31 H CYS 31 3.432 3.771 1.576
233 HA CYS 31 HA CYS 31 2.509 2.514 -0.780
234 HB2 CYS 31 HB3 CYS 31 2.033 5.081 0.602
235 HB3 CYS 31 HB2 CYS 31 1.600 4.939 -1.101
236 H LYS 32 H LYS 32 3.341 2.818 -2.719
237 HA LYS 32 HA LYS 32 5.874 4.266 -2.920
238 HB2 LYS 32 HB3 LYS 32 4.528 2.407 -4.867
239 HB3 LYS 32 HB2 LYS 32 6.104 3.143 -5.093
240 HG2 LYS 32 HG3 LYS 32 5.362 1.212 -2.914
241 HG3 LYS 32 HG2 LYS 32 6.254 0.858 -4.402
242 HD2 LYS 32 HD3 LYS 32 7.184 2.779 -2.257
243 HD3 LYS 32 HD2 LYS 32 7.733 1.118 -2.416
244 HE2 LYS 32 HE3 LYS 32 8.106 3.334 -4.426
245 HE3 LYS 32 HE2 LYS 32 9.349 2.630 -3.402
246 HZ1 LYS 32 HZ1 LYS 32 8.981 0.493 -4.544
247 HZ2 LYS 32 HZ2 LYS 32 9.484 1.706 -5.600
248 HZ3 LYS 32 HZ3 LYS 32 7.883 1.236 -5.584
249 H TRP 33 H TRP 33 6.207 5.825 -4.375
250 HA TRP 33 HA TRP 33 3.776 7.280 -5.078
251 HB2 TRP 33 HB3 TRP 33 5.659 8.250 -3.627
252 HB3 TRP 33 HB2 TRP 33 6.617 8.302 -5.096
253 HD1 TRP 33 HD1 TRP 33 5.970 10.169 -6.896
254 HE1 TRP 33 HE1 TRP 33 4.586 12.339 -6.719
255 HE3 TRP 33 HE3 TRP 33 3.625 9.281 -2.465
256 HZ2 TRP 33 HZ2 TRP 33 2.767 13.509 -4.947
257 HZ3 TRP 33 HZ3 TRP 33 2.075 10.979 -1.591
258 HH2 TRP 33 HH2 TRP 33 1.658 13.048 -2.809
259 H GLN 34 H GLN 34 3.885 8.484 -7.153
260 HA GLN 34 HA GLN 34 4.755 6.717 -9.276
261 HB2 GLN 34 HB3 GLN 34 3.532 8.318 -10.731
262 HB3 GLN 34 HB2 GLN 34 2.554 7.559 -9.481
263 HG2 GLN 34 HG3 GLN 34 2.645 9.592 -8.153
264 HG3 GLN 34 HG2 GLN 34 3.702 10.343 -9.347
265 HE21 GLN 34 HE21 GLN 34 1.059 11.147 -8.397
266 HE22 GLN 34 HE22 GLN 34 0.071 11.239 -9.803
267 H ILE 35 H ILE 35 6.608 8.334 -7.690
268 HA ILE 35 HA ILE 35 8.163 9.397 -9.916
269 HB ILE 35 HB ILE 35 7.925 10.862 -7.241
270 HG12 ILE 35 HG12 ILE 35 7.145 11.776 -10.026
271 HG13 ILE 35 HG11 ILE 35 6.009 11.268 -8.784
272 HG21 ILE 35 HG21 ILE 35 9.448 12.520 -8.223
273 HG22 ILE 35 HG22 ILE 35 9.623 11.501 -9.651
274 HG23 ILE 35 HG23 ILE 35 10.200 10.930 -8.084
275 HD11 ILE 35 HD11 ILE 35 6.689 13.151 -7.394
276 HD12 ILE 35 HD12 ILE 35 6.139 13.699 -8.982
277 HD13 ILE 35 HD13 ILE 35 7.862 13.632 -8.616
278 HN1 NH2 36 HN1 NH2 36 8.816 9.328 -6.421
279 HN2 NH2 36 HN2 NH2 36 10.072 8.157 -6.515
Start of MODEL 20
1 H1 GLY 1 H1 GLY 1 -10.563 9.579 1.239
2 H2 GLY 1 H2 GLY 1 -9.345 9.815 0.092
3 H3 GLY 1 H3 GLY 1 -8.949 9.420 1.682
4 HA2 GLY 1 HA2 GLY 1 -9.981 7.262 1.443
5 HA3 GLY 1 HA3 GLY 1 -10.451 7.696 -0.197
6 H CYS 2 H CYS 2 -7.403 8.135 1.617
7 HA CYS 2 HA CYS 2 -6.035 6.446 -0.272
8 HB2 CYS 2 HB3 CYS 2 -5.440 9.366 0.172
9 HB3 CYS 2 HB2 CYS 2 -4.346 8.243 -0.594
10 H LEU 3 H LEU 3 -3.528 6.734 0.459
11 HA LEU 3 HA LEU 3 -3.387 6.880 3.335
12 HB2 LEU 3 HB3 LEU 3 -2.082 4.928 1.448
13 HB3 LEU 3 HB2 LEU 3 -1.609 5.157 3.111
14 HG LEU 3 HG LEU 3 -4.275 4.113 2.166
15 HD11 LEU 3 HD11 LEU 3 -2.463 2.544 1.772
16 HD12 LEU 3 HD12 LEU 3 -3.488 1.999 3.103
17 HD13 LEU 3 HD13 LEU 3 -1.923 2.731 3.441
18 HD21 LEU 3 HD21 LEU 3 -4.636 3.571 4.540
19 HD22 LEU 3 HD22 LEU 3 -4.489 5.305 4.275
20 HD23 LEU 3 HD23 LEU 3 -3.133 4.398 4.948
21 H GLY 4 H GLY 4 -1.289 7.499 3.962
22 HA2 GLY 4 HA3 GLY 4 0.015 9.307 2.114
23 HA3 GLY 4 HA2 GLY 4 0.445 9.048 3.805
24 H ILE 5 H ILE 5 2.427 9.286 2.178
25 HA ILE 5 HA ILE 5 3.101 6.955 0.840
26 HB ILE 5 HB ILE 5 3.994 9.028 0.041
27 HG12 ILE 5 HG13 ILE 5 6.106 7.356 1.299
28 HG13 ILE 5 HG12 ILE 5 5.318 7.061 -0.253
29 HG21 ILE 5 HG21 ILE 5 5.579 10.396 1.308
30 HG22 ILE 5 HG22 ILE 5 5.387 9.329 2.697
31 HG23 ILE 5 HG23 ILE 5 4.023 10.290 2.137
32 HD11 ILE 5 HD11 ILE 5 7.117 9.395 0.417
33 HD12 ILE 5 HD12 ILE 5 6.311 9.137 -1.128
34 HD13 ILE 5 HD13 ILE 5 7.558 8.012 -0.585
35 H TRP 6 H TRP 6 3.753 8.070 3.974
36 HA TRP 6 HA TRP 6 5.649 5.995 4.372
37 HB2 TRP 6 HB3 TRP 6 4.628 8.074 6.234
38 HB3 TRP 6 HB2 TRP 6 5.936 6.954 6.632
39 HD1 TRP 6 HD1 TRP 6 5.418 10.301 5.369
40 HE1 TRP 6 HE1 TRP 6 7.517 11.228 4.124
41 HE3 TRP 6 HE3 TRP 6 7.978 5.949 4.820
42 HZ2 TRP 6 HZ2 TRP 6 9.924 10.188 3.078
43 HZ3 TRP 6 HZ3 TRP 6 10.150 5.981 3.689
44 HH2 TRP 6 HH2 TRP 6 11.097 8.065 2.836
45 H LYS 7 H LYS 7 2.526 5.759 4.141
46 HA LYS 7 HA LYS 7 1.829 4.809 6.770
47 HB2 LYS 7 HB3 LYS 7 0.330 5.308 4.273
48 HB3 LYS 7 HB2 LYS 7 -0.371 4.327 5.528
49 HG2 LYS 7 HG3 LYS 7 0.606 7.157 5.967
50 HG3 LYS 7 HG2 LYS 7 -1.067 6.740 5.588
51 HD2 LYS 7 HD3 LYS 7 -1.139 5.320 7.617
52 HD3 LYS 7 HD2 LYS 7 0.497 5.834 8.007
53 HE2 LYS 7 HE3 LYS 7 -1.845 7.715 7.719
54 HE3 LYS 7 HE2 LYS 7 -1.288 7.053 9.250
55 HZ1 LYS 7 HZ1 LYS 7 -0.400 9.264 8.874
56 HZ2 LYS 7 HZ2 LYS 7 0.342 8.764 7.443
57 HZ3 LYS 7 HZ3 LYS 7 0.827 8.124 8.912
58 H ALA 8 H ALA 8 1.195 2.845 7.255
59 HA ALA 8 HA ALA 8 2.446 0.702 5.784
60 HB1 ALA 8 HB1 ALA 8 0.831 0.627 8.338
61 HB2 ALA 8 HB2 ALA 8 2.588 0.742 8.232
62 HB3 ALA 8 HB3 ALA 8 1.763 -0.712 7.669
63 H CYS 9 H CYS 9 1.405 0.043 4.064
64 HA CYS 9 HA CYS 9 -1.498 0.056 4.007
65 HB2 CYS 9 HB3 CYS 9 -1.010 -0.599 1.615
66 HB3 CYS 9 HB2 CYS 9 -0.601 1.034 2.090
67 H ASN 10 H ASN 10 -2.150 -1.868 2.378
68 HA ASN 10 HA ASN 10 -1.311 -4.298 3.727
69 HB2 ASN 10 HB3 ASN 10 -3.811 -3.529 2.253
70 HB3 ASN 10 HB2 ASN 10 -3.454 -5.149 2.800
71 HD21 ASN 10 HD21 ASN 10 -3.488 -5.517 5.115
72 HD22 ASN 10 HD22 ASN 10 -4.339 -4.441 6.151
73 HA PRO 11 HA PRO 11 0.626 -4.806 -0.389
74 HB2 PRO 11 HB3 PRO 11 1.148 -7.458 0.859
75 HB3 PRO 11 HB2 PRO 11 2.254 -6.403 -0.019
76 HG2 PRO 11 HG3 PRO 11 2.423 -6.551 2.609
77 HG3 PRO 11 HG2 PRO 11 2.531 -4.965 1.818
78 HD2 PRO 11 HD3 PRO 11 0.215 -6.207 3.259
79 HD3 PRO 11 HD2 PRO 11 0.805 -4.531 3.305
80 H SER 12 H SER 12 -1.311 -7.173 1.314
81 HA SER 12 HA SER 12 -2.097 -8.540 -1.097
82 HB2 SER 12 HB3 SER 12 -1.789 -9.782 1.025
83 HB3 SER 12 HB2 SER 12 -3.138 -8.889 1.723
84 HG SER 12 HG SER 12 -4.255 -9.796 -0.296
85 H ASN 13 H ASN 13 -3.151 -5.710 0.396
86 HA ASN 13 HA ASN 13 -5.618 -5.834 -1.123
87 HB2 ASN 13 HB3 ASN 13 -6.191 -6.263 1.321
88 HB3 ASN 13 HB2 ASN 13 -5.517 -4.686 1.699
89 HD21 ASN 13 HD21 ASN 13 -8.160 -5.578 2.191
90 HD22 ASN 13 HD22 ASN 13 -9.242 -4.580 1.305
91 H ASP 14 H ASP 14 -4.045 -4.847 -2.411
92 HA ASP 14 HA ASP 14 -2.734 -2.488 -1.658
93 HB2 ASP 14 HB3 ASP 14 -1.739 -3.941 -3.247
94 HB3 ASP 14 HB2 ASP 14 -3.146 -3.811 -4.308
95 H GLN 15 H GLN 15 -3.729 -0.689 -1.436
96 HA GLN 15 HA GLN 15 -5.623 0.199 -3.476
97 HB2 GLN 15 HB3 GLN 15 -6.962 -0.500 -1.530
98 HB3 GLN 15 HB2 GLN 15 -6.031 0.579 -0.503
99 HG2 GLN 15 HG3 GLN 15 -6.820 2.484 -1.856
100 HG3 GLN 15 HG2 GLN 15 -7.845 1.383 -2.770
101 HE21 GLN 15 HE21 GLN 15 -7.384 3.058 0.212
102 HE22 GLN 15 HE22 GLN 15 -8.910 2.684 0.899
103 H CYS 16 H CYS 16 -4.355 1.573 -0.451
104 HA CYS 16 HA CYS 16 -3.502 3.617 0.018
105 HB2 CYS 16 HB3 CYS 16 -1.551 2.374 -0.943
106 HB3 CYS 16 HB2 CYS 16 -1.907 3.080 -2.513
107 H CYS 17 H CYS 17 -2.491 5.464 -2.196
108 HA CYS 17 HA CYS 17 -5.134 6.599 -2.761
109 HB2 CYS 17 HB3 CYS 17 -2.998 7.959 -1.902
110 HB3 CYS 17 HB2 CYS 17 -2.653 7.882 -3.622
111 H LYS 18 H LYS 18 -5.989 5.943 -4.579
112 HA LYS 18 HA LYS 18 -4.358 5.002 -6.798
113 HB2 LYS 18 HB3 LYS 18 -7.332 5.528 -6.840
114 HB3 LYS 18 HB2 LYS 18 -6.414 4.546 -7.963
115 HG2 LYS 18 HG3 LYS 18 -5.936 2.980 -6.092
116 HG3 LYS 18 HG2 LYS 18 -7.045 3.926 -5.095
117 HD2 LYS 18 HD3 LYS 18 -8.764 3.583 -6.916
118 HD3 LYS 18 HD2 LYS 18 -7.653 2.407 -7.615
119 HE2 LYS 18 HE3 LYS 18 -9.203 1.190 -6.311
120 HE3 LYS 18 HE2 LYS 18 -7.691 1.220 -5.413
121 HZ1 LYS 18 HZ1 LYS 18 -9.598 1.657 -3.996
122 HZ2 LYS 18 HZ2 LYS 18 -10.015 3.005 -4.899
123 HZ3 LYS 18 HZ3 LYS 18 -8.591 3.012 -4.021
124 H SER 19 H SER 19 -5.971 7.797 -5.791
125 HA SER 19 HA SER 19 -6.183 9.171 -8.223
126 HB2 SER 19 HB3 SER 19 -7.378 9.674 -6.033
127 HB3 SER 19 HB2 SER 19 -5.881 10.406 -5.479
128 HG SER 19 HG SER 19 -6.076 11.981 -6.940
129 H SER 20 H SER 20 -3.507 8.773 -5.932
130 HA SER 20 HA SER 20 -1.924 10.606 -7.578
131 HB2 SER 20 HB3 SER 20 -1.417 9.543 -4.817
132 HB3 SER 20 HB2 SER 20 -0.298 10.565 -5.739
133 HG SER 20 HG SER 20 -1.473 12.240 -5.330
134 H LYS 21 H LYS 21 -2.740 7.558 -7.483
135 HA LYS 21 HA LYS 21 -2.033 5.701 -8.381
136 HB2 LYS 21 HB3 LYS 21 0.141 7.454 -9.525
137 HB3 LYS 21 HB2 LYS 21 -0.240 5.827 -10.081
138 HG2 LYS 21 HG3 LYS 21 -2.213 8.054 -10.025
139 HG3 LYS 21 HG2 LYS 21 -1.212 7.724 -11.446
140 HD2 LYS 21 HD3 LYS 21 -2.135 5.446 -11.562
141 HD3 LYS 21 HD2 LYS 21 -3.113 5.761 -10.134
142 HE2 LYS 21 HE3 LYS 21 -3.349 7.242 -12.749
143 HE3 LYS 21 HE2 LYS 21 -4.380 5.905 -12.255
144 HZ1 LYS 21 HZ1 LYS 21 -4.185 8.574 -10.951
145 HZ2 LYS 21 HZ2 LYS 21 -4.992 7.254 -10.290
146 HZ3 LYS 21 HZ3 LYS 21 -5.521 7.898 -11.741
147 H LEU 22 H LEU 22 -1.259 6.061 -5.714
148 HA LEU 22 HA LEU 22 1.479 5.262 -5.460
149 HB2 LEU 22 HB3 LEU 22 -0.602 5.888 -3.416
150 HB3 LEU 22 HB2 LEU 22 1.116 5.754 -3.189
151 HG LEU 22 HG LEU 22 -0.278 7.965 -4.679
152 HD11 LEU 22 HD11 LEU 22 0.497 9.381 -2.837
153 HD12 LEU 22 HD12 LEU 22 1.161 7.964 -2.031
154 HD13 LEU 22 HD13 LEU 22 -0.586 8.111 -2.256
155 HD21 LEU 22 HD21 LEU 22 1.914 7.471 -5.623
156 HD22 LEU 22 HD22 LEU 22 2.601 7.593 -3.997
157 HD23 LEU 22 HD23 LEU 22 1.918 9.023 -4.771
158 H VAL 23 H VAL 23 1.772 3.286 -5.058
159 HA VAL 23 HA VAL 23 -0.510 1.512 -4.485
160 HB VAL 23 HB VAL 23 0.749 -0.326 -5.551
161 HG11 VAL 23 HG11 VAL 23 -0.830 0.936 -6.896
162 HG12 VAL 23 HG12 VAL 23 0.553 0.460 -7.884
163 HG13 VAL 23 HG13 VAL 23 0.420 2.114 -7.289
164 HG21 VAL 23 HG21 VAL 23 2.747 1.810 -6.306
165 HG22 VAL 23 HG22 VAL 23 2.773 0.130 -6.856
166 HG23 VAL 23 HG23 VAL 23 3.006 0.508 -5.147
167 H CYS 24 H CYS 24 0.370 -0.643 -3.424
168 HA CYS 24 HA CYS 24 1.774 0.291 -1.068
169 HB2 CYS 24 HB3 CYS 24 -0.340 -0.969 -0.840
170 HB3 CYS 24 HB2 CYS 24 0.433 -2.358 -1.602
171 H SER 25 H SER 25 3.752 -0.275 -0.539
172 HA SER 25 HA SER 25 5.383 -1.731 -2.297
173 HB2 SER 25 HB3 SER 25 6.305 0.182 -1.066
174 HB3 SER 25 HB2 SER 25 5.946 -0.614 0.465
175 HG SER 25 HG SER 25 8.160 -0.723 -0.856
176 H ARG 26 H ARG 26 6.301 -3.691 -1.886
177 HA ARG 26 HA ARG 26 4.700 -5.459 -0.168
178 HB2 ARG 26 HB3 ARG 26 4.936 -5.891 -2.626
179 HB3 ARG 26 HB2 ARG 26 6.667 -6.049 -2.294
180 HG2 ARG 26 HG3 ARG 26 6.286 -7.957 -0.887
181 HG3 ARG 26 HG2 ARG 26 4.541 -7.818 -1.101
182 HD2 ARG 26 HD3 ARG 26 4.824 -8.272 -3.499
183 HD3 ARG 26 HD2 ARG 26 6.568 -8.416 -3.256
184 HE ARG 26 HE ARG 26 4.818 -10.141 -1.700
185 HH11 ARG 26 HH11 ARG 26 6.985 -9.871 -4.476
186 HH12 ARG 26 HH12 ARG 26 7.302 -11.537 -4.577
187 HH21 ARG 26 HH21 ARG 26 5.283 -12.425 -1.811
188 HH22 ARG 26 HH22 ARG 26 6.333 -13.016 -3.022
189 H LYS 27 H LYS 27 7.948 -4.605 -1.118
190 HA LYS 27 HA LYS 27 9.255 -6.330 0.707
191 HB2 LYS 27 HB3 LYS 27 10.323 -5.558 -1.369
192 HB3 LYS 27 HB2 LYS 27 10.269 -3.904 -0.776
193 HG2 LYS 27 HG3 LYS 27 11.742 -4.571 1.105
194 HG3 LYS 27 HG2 LYS 27 11.851 -6.182 0.405
195 HD2 LYS 27 HD3 LYS 27 13.810 -4.935 -0.207
196 HD3 LYS 27 HD2 LYS 27 12.820 -5.171 -1.644
197 HE2 LYS 27 HE3 LYS 27 13.721 -2.897 -1.534
198 HE3 LYS 27 HE2 LYS 27 11.964 -2.892 -1.445
199 HZ1 LYS 27 HZ1 LYS 27 12.058 -2.438 0.887
200 HZ2 LYS 27 HZ2 LYS 27 13.129 -1.380 0.168
201 HZ3 LYS 27 HZ3 LYS 27 13.704 -2.748 0.960
202 H THR 28 H THR 28 8.247 -2.993 0.686
203 HA THR 28 HA THR 28 9.527 -2.762 3.361
204 HB THR 28 HB THR 28 8.854 -0.311 1.830
205 HG1 THR 28 HG1 THR 28 10.595 -0.575 0.562
206 HG21 THR 28 HG21 THR 28 10.889 0.480 2.958
207 HG22 THR 28 HG22 THR 28 11.144 -1.130 3.629
208 HG23 THR 28 HG23 THR 28 9.740 -0.181 4.121
209 H ARG 29 H ARG 29 6.544 -2.587 1.806
210 HA ARG 29 HA ARG 29 4.465 -2.143 2.372
211 HB2 ARG 29 HB3 ARG 29 4.993 -3.913 4.012
212 HB3 ARG 29 HB2 ARG 29 5.363 -2.672 5.196
213 HG2 ARG 29 HG3 ARG 29 3.064 -1.875 5.086
214 HG3 ARG 29 HG2 ARG 29 2.691 -3.121 3.893
215 HD2 ARG 29 HD3 ARG 29 3.344 -4.833 5.530
216 HD3 ARG 29 HD2 ARG 29 3.620 -3.554 6.716
217 HE ARG 29 HE ARG 29 1.042 -3.323 5.649
218 HH11 ARG 29 HH11 ARG 29 2.881 -5.419 7.845
219 HH12 ARG 29 HH12 ARG 29 1.515 -5.890 8.742
220 HH21 ARG 29 HH21 ARG 29 -0.820 -3.941 6.938
221 HH22 ARG 29 HH22 ARG 29 -0.599 -5.010 8.249
222 H TRP 30 H TRP 30 4.777 -0.042 1.673
223 HA TRP 30 HA TRP 30 3.435 1.851 3.217
224 HB2 TRP 30 HB3 TRP 30 5.053 3.694 2.988
225 HB3 TRP 30 HB2 TRP 30 5.579 2.539 4.168
226 HD1 TRP 30 HD1 TRP 30 6.293 2.491 0.317
227 HE1 TRP 30 HE1 TRP 30 8.849 2.632 -0.010
228 HE3 TRP 30 HE3 TRP 30 7.723 3.025 5.193
229 HZ2 TRP 30 HZ2 TRP 30 11.142 2.949 1.572
230 HZ3 TRP 30 HZ3 TRP 30 10.121 3.254 5.700
231 HH2 TRP 30 HH2 TRP 30 11.790 3.215 3.921
232 H CYS 31 H CYS 31 3.588 3.930 1.735
233 HA CYS 31 HA CYS 31 2.594 2.718 -0.630
234 HB2 CYS 31 HB3 CYS 31 2.278 5.286 0.747
235 HB3 CYS 31 HB2 CYS 31 1.880 5.224 -0.979
236 H LYS 32 H LYS 32 3.429 2.863 -2.544
237 HA LYS 32 HA LYS 32 6.118 3.887 -2.806
238 HB2 LYS 32 HB3 LYS 32 4.411 2.394 -4.810
239 HB3 LYS 32 HB2 LYS 32 6.119 2.804 -4.977
240 HG2 LYS 32 HG3 LYS 32 6.663 1.444 -3.088
241 HG3 LYS 32 HG2 LYS 32 4.969 1.061 -2.837
242 HD2 LYS 32 HD3 LYS 32 6.102 -0.819 -3.954
243 HD3 LYS 32 HD2 LYS 32 4.927 -0.099 -5.046
244 HE2 LYS 32 HE3 LYS 32 6.722 1.090 -6.196
245 HE3 LYS 32 HE2 LYS 32 7.892 0.437 -5.049
246 HZ1 LYS 32 HZ1 LYS 32 7.439 -1.775 -5.863
247 HZ2 LYS 32 HZ2 LYS 32 7.832 -0.786 -7.165
248 HZ3 LYS 32 HZ3 LYS 32 6.233 -1.208 -6.889
249 H TRP 33 H TRP 33 6.540 5.700 -3.620
250 HA TRP 33 HA TRP 33 4.428 7.452 -4.334
251 HB2 TRP 33 HB3 TRP 33 6.527 8.107 -3.066
252 HB3 TRP 33 HB2 TRP 33 7.359 8.071 -4.619
253 HD1 TRP 33 HD1 TRP 33 7.273 10.239 -5.985
254 HE1 TRP 33 HE1 TRP 33 5.905 12.456 -5.857
255 HE3 TRP 33 HE3 TRP 33 4.017 8.980 -2.282
256 HZ2 TRP 33 HZ2 TRP 33 3.741 13.487 -4.378
257 HZ3 TRP 33 HZ3 TRP 33 2.332 10.615 -1.572
258 HH2 TRP 33 HH2 TRP 33 2.202 12.825 -2.604
259 H GLN 34 H GLN 34 3.921 8.356 -6.207
260 HA GLN 34 HA GLN 34 3.851 6.906 -8.503
261 HB2 GLN 34 HB3 GLN 34 3.239 9.058 -9.643
262 HB3 GLN 34 HB2 GLN 34 2.331 8.708 -8.181
263 HG2 GLN 34 HG3 GLN 34 3.816 10.252 -6.935
264 HG3 GLN 34 HG2 GLN 34 4.625 10.642 -8.448
265 HE21 GLN 34 HE21 GLN 34 3.180 12.367 -6.627
266 HE22 GLN 34 HE22 GLN 34 1.928 13.087 -7.563
267 H ILE 35 H ILE 35 6.196 9.475 -7.821
268 HA ILE 35 HA ILE 35 7.697 8.459 -10.065
269 HB ILE 35 HB ILE 35 9.072 10.584 -9.953
270 HG12 ILE 35 HG12 ILE 35 7.689 12.601 -8.973
271 HG13 ILE 35 HG11 ILE 35 6.959 11.382 -7.947
272 HG21 ILE 35 HG21 ILE 35 7.450 10.277 -11.667
273 HG22 ILE 35 HG22 ILE 35 7.430 11.960 -11.140
274 HG23 ILE 35 HG23 ILE 35 6.161 10.854 -10.611
275 HD11 ILE 35 HD11 ILE 35 8.752 12.531 -6.797
276 HD12 ILE 35 HD12 ILE 35 9.882 12.093 -8.077
277 HD13 ILE 35 HD13 ILE 35 9.186 10.839 -7.051
278 HN1 NH2 36 HN1 NH2 36 9.400 7.312 -9.787
279 HN2 NH2 36 HN2 NH2 36 10.126 7.013 -8.249