NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
575641 |
2m9l   |
19300 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 H GLU 1 1.808 0.001 0.855
2 HA GLU 1 HA GLU 1 3.139 -0.078 -0.989
3 HB2 GLU 1 HB2 GLU 1 0.656 -1.118 -2.365
4 HB3 GLU 1 HB3 GLU 1 2.289 -1.185 -3.012
5 HG2 GLU 1 HG2 GLU 1 2.952 -2.612 -1.117
6 HG3 GLU 1 HG3 GLU 1 1.283 -2.592 -0.550
7 H CYS 2 H CYS 2 3.592 1.034 -3.002
8 HA CYS 2 HA CYS 2 2.367 3.629 -3.064
9 HB2 CYS 2 HB2 CYS 2 4.056 4.213 -4.650
10 HB3 CYS 2 HB3 CYS 2 4.819 3.181 -3.445
11 H ARG 3 H ARG 3 1.262 4.589 -4.796
12 HA ARG 3 HA ARG 3 -0.212 2.672 -6.448
13 HB2 ARG 3 HB2 ARG 3 -0.768 5.605 -5.965
14 HB3 ARG 3 HB3 ARG 3 -1.822 4.467 -6.793
15 HG2 ARG 3 HG2 ARG 3 -1.221 3.406 -4.230
16 HG3 ARG 3 HG3 ARG 3 -1.711 5.090 -4.036
17 HD2 ARG 3 HD2 ARG 3 -3.783 4.708 -5.113
18 HD3 ARG 3 HD3 ARG 3 -3.265 3.130 -5.704
19 HE ARG 3 HE ARG 3 -4.426 3.703 -3.173
20 HH11 ARG 3 HH11 ARG 3 -2.113 1.648 -4.770
21 HH12 ARG 3 HH12 ARG 3 -2.276 0.357 -3.626
22 HH21 ARG 3 HH21 ARG 3 -4.649 2.010 -1.661
23 HH22 ARG 3 HH22 ARG 3 -3.719 0.563 -1.859
24 H TYR 4 H TYR 4 -0.648 3.187 -8.697
25 HA TYR 4 HA TYR 4 1.687 4.431 -9.961
26 HB2 TYR 4 HB2 TYR 4 0.973 3.203 -11.992
27 HB3 TYR 4 HB3 TYR 4 1.272 2.133 -10.627
28 HD1 TYR 4 HD1 TYR 4 -0.569 0.973 -9.527
29 HD2 TYR 4 HD2 TYR 4 -1.263 3.509 -12.872
30 HE1 TYR 4 HE1 TYR 4 -2.814 0.002 -9.790
31 HE2 TYR 4 HE2 TYR 4 -3.510 2.546 -13.144
32 HH TYR 4 HH TYR 4 -5.095 0.907 -10.875
33 H TRP 5 H TRP 5 0.826 5.078 -12.412
34 HA TRP 5 HA TRP 5 -0.274 7.589 -12.163
35 HB2 TRP 5 HB2 TRP 5 0.879 6.485 -14.191
36 HB3 TRP 5 HB3 TRP 5 -0.732 5.920 -14.625
37 HD1 TRP 5 HD1 TRP 5 0.389 9.422 -13.369
38 HE1 TRP 5 HE1 TRP 5 -0.432 11.169 -15.072
39 HE3 TRP 5 HE3 TRP 5 -1.689 6.275 -16.821
40 HZ2 TRP 5 HZ2 TRP 5 -1.783 11.207 -17.550
41 HZ3 TRP 5 HZ3 TRP 5 -2.726 7.248 -18.829
42 HH2 TRP 5 HH2 TRP 5 -2.772 9.663 -19.184
43 H LEU 6 H LEU 6 -2.276 8.438 -12.047
44 HA LEU 6 HA LEU 6 -4.519 8.561 -11.692
45 HB2 LEU 6 HB2 LEU 6 -4.787 6.191 -13.516
46 HB3 LEU 6 HB3 LEU 6 -5.931 7.506 -13.256
47 HG LEU 6 HG LEU 6 -3.346 7.588 -14.799
48 HD11 LEU 6 HD11 LEU 6 -6.206 8.119 -15.590
49 HD12 LEU 6 HD12 LEU 6 -5.279 6.670 -15.977
50 HD13 LEU 6 HD13 LEU 6 -4.798 8.230 -16.646
51 HD21 LEU 6 HD21 LEU 6 -4.192 10.005 -15.236
52 HD22 LEU 6 HD22 LEU 6 -3.275 9.655 -13.771
53 HD23 LEU 6 HD23 LEU 6 -5.032 9.798 -13.699
54 H GLY 7 H GLY 7 -2.833 6.684 -10.078
55 HA2 GLY 7 HA2 GLY 7 -4.438 4.416 -9.429
56 HA3 GLY 7 HA3 GLY 7 -3.087 5.035 -8.491
57 H GLY 8 H GLY 8 -4.150 7.674 -8.102
58 HA2 GLY 8 HA2 GLY 8 -5.975 8.760 -7.029
59 HA3 GLY 8 HA3 GLY 8 -6.623 7.185 -6.598
60 H CYS 9 H CYS 9 -4.152 9.572 -5.844
61 HA CYS 9 HA CYS 9 -3.260 8.188 -3.484
62 HB2 CYS 9 HB2 CYS 9 -1.818 10.079 -3.127
63 HB3 CYS 9 HB3 CYS 9 -1.796 9.696 -4.845
64 H SER 10 H SER 10 -3.049 10.035 -1.539
65 HA SER 10 HA SER 10 -5.563 11.357 -1.054
66 HB2 SER 10 HB2 SER 10 -5.387 8.674 -0.306
67 HB3 SER 10 HB3 SER 10 -5.096 9.567 1.187
68 HG SER 10 HG SER 10 -7.046 10.806 0.530
69 H ALA 11 H ALA 11 -5.459 11.714 1.639
70 HA ALA 11 HA ALA 11 -3.303 13.568 1.906
71 HB1 ALA 11 HB1 ALA 11 -5.800 13.170 3.121
72 HB2 ALA 11 HB2 ALA 11 -4.599 13.042 4.408
73 HB3 ALA 11 HB3 ALA 11 -4.661 14.487 3.400
74 H GLY 12 H GLY 12 -3.773 10.260 2.754
75 HA2 GLY 12 HA2 GLY 12 -1.232 10.322 4.262
76 HA3 GLY 12 HA3 GLY 12 -2.577 9.296 4.738
77 H GLN 13 H GLN 13 -2.010 9.697 1.367
78 HA GLN 13 HA GLN 13 -0.931 6.961 1.260
79 HB2 GLN 13 HB2 GLN 13 -2.949 8.400 -0.321
80 HB3 GLN 13 HB3 GLN 13 -1.799 7.477 -1.280
81 HG2 GLN 13 HG2 GLN 13 -2.334 5.503 0.184
82 HG3 GLN 13 HG3 GLN 13 -3.652 6.463 0.855
83 HE21 GLN 13 HE21 GLN 13 -2.391 6.020 -2.431
84 HE22 GLN 13 HE22 GLN 13 -3.898 5.543 -3.129
85 H THR 14 H THR 14 0.256 6.616 -0.961
86 HA THR 14 HA THR 14 1.980 8.912 -1.559
87 HB THR 14 HB THR 14 3.291 6.243 -1.334
88 HG1 THR 14 HG1 THR 14 3.770 6.970 0.935
89 HG21 THR 14 HG21 THR 14 4.997 8.066 -0.310
90 HG22 THR 14 HG22 THR 14 4.045 9.096 -1.380
91 HG23 THR 14 HG23 THR 14 4.888 7.689 -2.029
92 H CYS 15 H CYS 15 3.387 8.460 -3.503
93 HA CYS 15 HA CYS 15 1.976 6.716 -5.413
94 HB2 CYS 15 HB2 CYS 15 3.170 9.448 -5.929
95 HB3 CYS 15 HB3 CYS 15 2.515 8.386 -7.171
96 H CYS 16 H CYS 16 3.206 5.514 -6.803
97 HA CYS 16 HA CYS 16 5.743 4.709 -6.048
98 HB2 CYS 16 HB2 CYS 16 4.423 4.559 -8.764
99 HB3 CYS 16 HB3 CYS 16 5.899 3.701 -8.334
100 H LYS 17 H LYS 17 7.671 4.770 -7.674
101 HA LYS 17 HA LYS 17 8.696 7.380 -7.677
102 HB2 LYS 17 HB2 LYS 17 9.890 5.052 -7.807
103 HB3 LYS 17 HB3 LYS 17 9.750 5.287 -9.544
104 HG2 LYS 17 HG2 LYS 17 11.570 6.539 -9.515
105 HG3 LYS 17 HG3 LYS 17 10.764 7.687 -8.444
106 HD2 LYS 17 HD2 LYS 17 11.432 5.711 -6.701
107 HD3 LYS 17 HD3 LYS 17 12.773 5.628 -7.846
108 HE2 LYS 17 HE2 LYS 17 13.548 7.701 -7.296
109 HE3 LYS 17 HE3 LYS 17 11.945 8.313 -6.892
110 HZ1 LYS 17 HZ1 LYS 17 13.884 7.497 -5.128
111 HZ2 LYS 17 HZ2 LYS 17 12.743 6.249 -5.106
112 HZ3 LYS 17 HZ3 LYS 17 12.267 7.836 -4.764
113 H HIS 18 H HIS 18 9.339 8.701 -9.492
114 HA HIS 18 HA HIS 18 8.932 9.865 -11.403
115 HB2 HIS 18 HB2 HIS 18 8.539 7.047 -12.173
116 HB3 HIS 18 HB3 HIS 18 7.769 8.219 -13.238
117 HD1 HIS 18 HD1 HIS 18 9.246 8.530 -15.190
118 HD2 HIS 18 HD2 HIS 18 11.406 8.275 -11.650
119 HE1 HIS 18 HE1 HIS 18 11.648 8.893 -15.840
120 H LEU 19 H LEU 19 6.801 9.351 -9.304
121 HA LEU 19 HA LEU 19 4.609 10.526 -10.839
122 HB2 LEU 19 HB2 LEU 19 4.273 8.210 -8.938
123 HB3 LEU 19 HB3 LEU 19 2.962 9.106 -9.702
124 HG LEU 19 HG LEU 19 4.967 7.799 -11.466
125 HD11 LEU 19 HD11 LEU 19 3.236 6.381 -9.561
126 HD12 LEU 19 HD12 LEU 19 4.687 5.839 -10.404
127 HD13 LEU 19 HD13 LEU 19 3.131 5.829 -11.233
128 HD21 LEU 19 HD21 LEU 19 2.005 8.330 -11.558
129 HD22 LEU 19 HD22 LEU 19 2.864 7.385 -12.774
130 HD23 LEU 19 HD23 LEU 19 3.271 9.083 -12.527
131 H VAL 20 H VAL 20 3.050 11.662 -9.511
132 HA VAL 20 HA VAL 20 3.930 12.244 -6.775
133 HB VAL 20 HB VAL 20 3.511 14.681 -7.178
134 HG11 VAL 20 HG11 VAL 20 5.685 15.088 -8.277
135 HG12 VAL 20 HG12 VAL 20 5.773 13.843 -7.029
136 HG13 VAL 20 HG13 VAL 20 5.747 13.386 -8.733
137 HG21 VAL 20 HG21 VAL 20 3.425 13.748 -10.039
138 HG22 VAL 20 HG22 VAL 20 2.198 14.657 -9.157
139 HG23 VAL 20 HG23 VAL 20 3.730 15.423 -9.577
140 H CYS 21 H CYS 21 2.304 12.791 -5.359
141 HA CYS 21 HA CYS 21 -0.326 11.955 -6.042
142 HB2 CYS 21 HB2 CYS 21 0.447 11.607 -3.795
143 HB3 CYS 21 HB3 CYS 21 0.792 13.321 -3.590
144 H SER 22 H SER 22 -1.228 13.219 -7.618
145 HA SER 22 HA SER 22 -1.176 16.077 -7.531
146 HB2 SER 22 HB2 SER 22 -1.440 14.523 -9.593
147 HB3 SER 22 HB3 SER 22 -3.146 14.479 -9.149
148 HG SER 22 HG SER 22 -2.386 16.183 -10.678
149 H ARG 23 H ARG 23 -2.149 17.001 -5.818
150 HA ARG 23 HA ARG 23 -4.523 16.007 -4.610
151 HB2 ARG 23 HB2 ARG 23 -3.129 18.679 -4.385
152 HB3 ARG 23 HB3 ARG 23 -4.508 18.205 -3.401
153 HG2 ARG 23 HG2 ARG 23 -3.231 16.370 -2.454
154 HG3 ARG 23 HG3 ARG 23 -1.854 16.785 -3.477
155 HD2 ARG 23 HD2 ARG 23 -1.631 18.923 -2.374
156 HD3 ARG 23 HD3 ARG 23 -3.086 18.620 -1.426
157 HE ARG 23 HE ARG 23 -1.455 16.534 -0.809
158 HH11 ARG 23 HH11 ARG 23 -1.111 19.998 -0.737
159 HH12 ARG 23 HH12 ARG 23 -0.001 19.991 0.593
160 HH21 ARG 23 HH21 ARG 23 0.007 16.512 0.942
161 HH22 ARG 23 HH22 ARG 23 0.635 18.008 1.547
162 H ARG 24 H ARG 24 -3.907 18.024 -7.317
163 HA ARG 24 HA ARG 24 -6.509 19.293 -7.289
164 HB2 ARG 24 HB2 ARG 24 -4.122 19.383 -9.098
165 HB3 ARG 24 HB3 ARG 24 -5.672 19.985 -9.670
166 HG2 ARG 24 HG2 ARG 24 -4.630 20.942 -7.050
167 HG3 ARG 24 HG3 ARG 24 -3.942 21.587 -8.542
168 HD2 ARG 24 HD2 ARG 24 -5.655 22.995 -8.668
169 HD3 ARG 24 HD3 ARG 24 -6.726 21.612 -8.892
170 HE ARG 24 HE ARG 24 -7.516 21.970 -6.787
171 HH11 ARG 24 HH11 ARG 24 -4.372 23.441 -7.049
172 HH12 ARG 24 HH12 ARG 24 -4.426 24.147 -5.468
173 HH21 ARG 24 HH21 ARG 24 -7.600 22.895 -4.703
174 HH22 ARG 24 HH22 ARG 24 -6.263 23.835 -4.134
175 H HIS 25 H HIS 25 -4.827 16.837 -9.224
176 HA HIS 25 HA HIS 25 -7.125 16.300 -10.857
177 HB2 HIS 25 HB2 HIS 25 -4.392 15.114 -10.568
178 HB3 HIS 25 HB3 HIS 25 -5.635 14.204 -11.422
179 HD1 HIS 25 HD1 HIS 25 -6.437 15.137 -13.697
180 HD2 HIS 25 HD2 HIS 25 -3.430 17.375 -11.904
181 HE1 HIS 25 HE1 HIS 25 -5.602 16.696 -15.485
182 H GLY 26 H GLY 26 -5.774 15.021 -7.904
183 HA2 GLY 26 HA2 GLY 26 -6.973 13.793 -6.303
184 HA3 GLY 26 HA3 GLY 26 -8.188 13.433 -7.521
185 H TRP 27 H TRP 27 -4.960 12.937 -8.511
186 HA TRP 27 HA TRP 27 -4.739 10.226 -7.583
187 HB2 TRP 27 HB2 TRP 27 -4.803 9.184 -9.819
188 HB3 TRP 27 HB3 TRP 27 -6.355 9.894 -9.381
189 HD1 TRP 27 HD1 TRP 27 -3.209 11.164 -11.296
190 HE1 TRP 27 HE1 TRP 27 -4.024 12.446 -13.374
191 HE3 TRP 27 HE3 TRP 27 -8.254 10.687 -10.616
192 HZ2 TRP 27 HZ2 TRP 27 -6.481 13.161 -14.566
193 HZ3 TRP 27 HZ3 TRP 27 -9.767 11.699 -12.271
194 HH2 TRP 27 HH2 TRP 27 -8.898 12.911 -14.204
195 H CYS 28 H CYS 28 -2.772 9.156 -8.457
196 HA CYS 28 HA CYS 28 -0.562 10.914 -8.350
197 HB2 CYS 28 HB2 CYS 28 -0.637 8.031 -9.266
198 HB3 CYS 28 HB3 CYS 28 0.799 8.925 -8.778
199 H VAL 29 H VAL 29 0.427 12.032 -9.895
200 HA VAL 29 HA VAL 29 -0.167 11.356 -12.702
201 HB VAL 29 HB VAL 29 0.333 13.749 -13.208
202 HG11 VAL 29 HG11 VAL 29 -1.904 13.651 -13.242
203 HG12 VAL 29 HG12 VAL 29 -1.979 12.712 -11.749
204 HG13 VAL 29 HG13 VAL 29 -1.820 14.467 -11.681
205 HG21 VAL 29 HG21 VAL 29 1.674 14.367 -11.332
206 HG22 VAL 29 HG22 VAL 29 0.203 15.340 -11.278
207 HG23 VAL 29 HG23 VAL 29 0.385 13.954 -10.202
208 H TRP 30 H TRP 30 1.534 11.896 -14.265
209 HA TRP 30 HA TRP 30 3.992 10.744 -13.591
210 HB2 TRP 30 HB2 TRP 30 3.178 12.489 -15.917
211 HB3 TRP 30 HB3 TRP 30 4.768 11.741 -15.792
212 HD1 TRP 30 HD1 TRP 30 1.781 11.158 -17.586
213 HE1 TRP 30 HE1 TRP 30 1.375 8.667 -18.089
214 HE3 TRP 30 HE3 TRP 30 5.027 9.109 -14.209
215 HZ2 TRP 30 HZ2 TRP 30 2.307 6.164 -17.175
216 HZ3 TRP 30 HZ3 TRP 30 5.209 6.659 -14.087
217 HH2 TRP 30 HH2 TRP 30 3.876 5.218 -15.539
218 H ASP 31 H ASP 31 5.587 11.521 -12.394
219 HA ASP 31 HA ASP 31 5.711 14.252 -11.593
220 HB2 ASP 31 HB2 ASP 31 6.474 12.269 -10.224
221 HB3 ASP 31 HB3 ASP 31 7.881 12.174 -11.279
222 H GLY 32 H GLY 32 6.511 15.887 -12.725
223 HA2 GLY 32 HA2 GLY 32 8.517 16.864 -13.723
224 HA3 GLY 32 HA3 GLY 32 8.754 15.341 -14.568
225 H THR 33 H THR 33 5.704 15.351 -14.977
226 HA THR 33 HA THR 33 5.759 17.121 -17.331
227 HB THR 33 HB THR 33 4.283 15.638 -18.459
228 HG1 THR 33 HG1 THR 33 2.912 14.466 -17.363
229 HG21 THR 33 HG21 THR 33 6.787 14.923 -17.888
230 HG22 THR 33 HG22 THR 33 5.709 13.898 -18.836
231 HG23 THR 33 HG23 THR 33 5.947 13.577 -17.119
232 H PHE 34 H PHE 34 3.809 16.009 -14.615
233 HA PHE 34 HA PHE 34 1.409 17.265 -15.136
234 HB2 PHE 34 HB2 PHE 34 0.936 17.108 -12.808
235 HB3 PHE 34 HB3 PHE 34 1.964 15.732 -13.196
236 HD1 PHE 34 HD2 PHE 34 4.510 16.070 -12.798
237 HD2 PHE 34 HD1 PHE 34 1.469 18.459 -11.019
238 HE1 PHE 34 HE2 PHE 34 6.079 16.742 -11.026
239 HE2 PHE 34 HE1 PHE 34 3.034 19.135 -9.244
240 HZ PHE 34 HZ PHE 34 5.342 18.275 -9.246
241 H SER 35 H SER 35 0.529 19.202 -13.901
242 HA SER 35 HA SER 35 2.341 21.450 -14.374
243 HB2 SER 35 HB2 SER 35 0.302 22.837 -14.314
244 HB3 SER 35 HB3 SER 35 0.160 21.531 -15.490
245 HG SER 35 HG SER 35 -1.705 21.824 -14.108
Start of MODEL 2
1 H1 GLU 1 H GLU 1 1.729 -0.664 0.673
2 HA GLU 1 HA GLU 1 3.227 -0.218 -1.289
3 HB2 GLU 1 HB2 GLU 1 0.543 -1.384 -1.391
4 HB3 GLU 1 HB3 GLU 1 1.120 -0.829 -2.956
5 HG2 GLU 1 HG2 GLU 1 2.605 -2.484 -3.133
6 HG3 GLU 1 HG3 GLU 1 3.102 -2.350 -1.447
7 H CYS 2 H CYS 2 3.653 1.055 -3.049
8 HA CYS 2 HA CYS 2 2.417 3.645 -3.084
9 HB2 CYS 2 HB2 CYS 2 4.092 4.247 -4.679
10 HB3 CYS 2 HB3 CYS 2 4.868 3.215 -3.482
11 H ARG 3 H ARG 3 1.293 4.612 -4.800
12 HA ARG 3 HA ARG 3 -0.188 2.703 -6.451
13 HB2 ARG 3 HB2 ARG 3 -0.736 5.637 -5.969
14 HB3 ARG 3 HB3 ARG 3 -1.800 4.494 -6.779
15 HG2 ARG 3 HG2 ARG 3 -1.158 3.461 -4.208
16 HG3 ARG 3 HG3 ARG 3 -1.676 5.139 -4.034
17 HD2 ARG 3 HD2 ARG 3 -3.757 4.714 -5.031
18 HD3 ARG 3 HD3 ARG 3 -3.216 3.176 -5.701
19 HE ARG 3 HE ARG 3 -4.316 3.620 -3.111
20 HH11 ARG 3 HH11 ARG 3 -2.046 1.666 -4.886
21 HH12 ARG 3 HH12 ARG 3 -2.163 0.317 -3.805
22 HH21 ARG 3 HH21 ARG 3 -4.478 1.850 -1.681
23 HH22 ARG 3 HH22 ARG 3 -3.547 0.422 -1.983
24 H TYR 4 H TYR 4 -0.627 3.209 -8.697
25 HA TYR 4 HA TYR 4 1.698 4.458 -9.973
26 HB2 TYR 4 HB2 TYR 4 0.979 3.228 -11.998
27 HB3 TYR 4 HB3 TYR 4 1.279 2.158 -10.633
28 HD1 TYR 4 HD1 TYR 4 -0.561 1.001 -9.529
29 HD2 TYR 4 HD2 TYR 4 -1.258 3.535 -12.875
30 HE1 TYR 4 HE1 TYR 4 -2.807 0.032 -9.787
31 HE2 TYR 4 HE2 TYR 4 -3.507 2.575 -13.141
32 HH TYR 4 HH TYR 4 -4.614 -0.102 -11.112
33 H TRP 5 H TRP 5 0.820 5.099 -12.421
34 HA TRP 5 HA TRP 5 -0.277 7.611 -12.169
35 HB2 TRP 5 HB2 TRP 5 0.860 6.499 -14.204
36 HB3 TRP 5 HB3 TRP 5 -0.756 5.939 -14.626
37 HD1 TRP 5 HD1 TRP 5 0.375 9.439 -13.376
38 HE1 TRP 5 HE1 TRP 5 -0.449 11.186 -15.077
39 HE3 TRP 5 HE3 TRP 5 -1.714 6.294 -16.823
40 HZ2 TRP 5 HZ2 TRP 5 -1.806 11.226 -17.552
41 HZ3 TRP 5 HZ3 TRP 5 -2.755 7.266 -18.829
42 HH2 TRP 5 HH2 TRP 5 -2.799 9.682 -19.184
43 H LEU 6 H LEU 6 -2.277 8.459 -12.029
44 HA LEU 6 HA LEU 6 -4.517 8.582 -11.655
45 HB2 LEU 6 HB2 LEU 6 -4.806 6.221 -13.486
46 HB3 LEU 6 HB3 LEU 6 -5.942 7.541 -13.215
47 HG LEU 6 HG LEU 6 -3.367 7.613 -14.775
48 HD11 LEU 6 HD11 LEU 6 -6.233 8.153 -15.539
49 HD12 LEU 6 HD12 LEU 6 -5.305 6.712 -15.950
50 HD13 LEU 6 HD13 LEU 6 -4.835 8.279 -16.607
51 HD21 LEU 6 HD21 LEU 6 -5.154 9.893 -13.938
52 HD22 LEU 6 HD22 LEU 6 -3.893 10.002 -15.166
53 HD23 LEU 6 HD23 LEU 6 -3.465 9.648 -13.492
54 H GLY 7 H GLY 7 -2.822 6.699 -10.060
55 HA2 GLY 7 HA2 GLY 7 -4.415 4.424 -9.412
56 HA3 GLY 7 HA3 GLY 7 -3.066 5.048 -8.474
57 H GLY 8 H GLY 8 -4.101 7.662 -8.026
58 HA2 GLY 8 HA2 GLY 8 -5.957 8.736 -6.969
59 HA3 GLY 8 HA3 GLY 8 -6.576 7.152 -6.525
60 H CYS 9 H CYS 9 -4.135 9.579 -5.805
61 HA CYS 9 HA CYS 9 -3.202 8.218 -3.448
62 HB2 CYS 9 HB2 CYS 9 -1.762 10.103 -3.125
63 HB3 CYS 9 HB3 CYS 9 -1.787 9.755 -4.851
64 H SER 10 H SER 10 -3.000 10.047 -1.501
65 HA SER 10 HA SER 10 -5.514 11.365 -1.002
66 HB2 SER 10 HB2 SER 10 -5.449 8.705 -0.332
67 HB3 SER 10 HB3 SER 10 -4.954 9.472 1.177
68 HG SER 10 HG SER 10 -7.386 9.571 -0.161
69 H ALA 11 H ALA 11 -5.402 11.709 1.692
70 HA ALA 11 HA ALA 11 -3.247 13.563 1.962
71 HB1 ALA 11 HB1 ALA 11 -5.061 14.352 3.086
72 HB2 ALA 11 HB2 ALA 11 -5.578 12.748 3.607
73 HB3 ALA 11 HB3 ALA 11 -4.236 13.550 4.423
74 H GLY 12 H GLY 12 -3.713 10.250 2.797
75 HA2 GLY 12 HA2 GLY 12 -1.166 10.306 4.294
76 HA3 GLY 12 HA3 GLY 12 -2.508 9.278 4.772
77 H GLN 13 H GLN 13 -1.954 9.694 1.400
78 HA GLN 13 HA GLN 13 -0.874 6.959 1.277
79 HB2 GLN 13 HB2 GLN 13 -2.900 8.404 -0.290
80 HB3 GLN 13 HB3 GLN 13 -1.755 7.484 -1.256
81 HG2 GLN 13 HG2 GLN 13 -2.284 5.505 0.203
82 HG3 GLN 13 HG3 GLN 13 -3.599 6.463 0.883
83 HE21 GLN 13 HE21 GLN 13 -2.350 6.030 -2.410
84 HE22 GLN 13 HE22 GLN 13 -3.859 5.555 -3.103
85 H THR 14 H THR 14 0.304 6.624 -0.950
86 HA THR 14 HA THR 14 2.025 8.924 -1.542
87 HB THR 14 HB THR 14 3.334 6.251 -1.348
88 HG1 THR 14 HG1 THR 14 2.285 6.438 0.661
89 HG21 THR 14 HG21 THR 14 4.930 7.702 -2.035
90 HG22 THR 14 HG22 THR 14 5.045 8.065 -0.313
91 HG23 THR 14 HG23 THR 14 4.090 9.103 -1.371
92 H CYS 15 H CYS 15 3.423 8.482 -3.496
93 HA CYS 15 HA CYS 15 1.998 6.755 -5.413
94 HB2 CYS 15 HB2 CYS 15 3.189 9.492 -5.912
95 HB3 CYS 15 HB3 CYS 15 2.530 8.440 -7.161
96 H CYS 16 H CYS 16 3.220 5.564 -6.819
97 HA CYS 16 HA CYS 16 5.763 4.754 -6.085
98 HB2 CYS 16 HB2 CYS 16 4.415 4.619 -8.788
99 HB3 CYS 16 HB3 CYS 16 5.903 3.769 -8.386
100 H LYS 17 H LYS 17 7.683 4.828 -7.714
101 HA LYS 17 HA LYS 17 8.700 7.442 -7.713
102 HB2 LYS 17 HB2 LYS 17 9.931 5.157 -7.815
103 HB3 LYS 17 HB3 LYS 17 9.737 5.309 -9.556
104 HG2 LYS 17 HG2 LYS 17 11.465 6.686 -9.686
105 HG3 LYS 17 HG3 LYS 17 10.771 7.753 -8.463
106 HD2 LYS 17 HD2 LYS 17 11.616 5.826 -6.846
107 HD3 LYS 17 HD3 LYS 17 12.746 5.548 -8.174
108 HE2 LYS 17 HE2 LYS 17 12.869 8.252 -7.920
109 HE3 LYS 17 HE3 LYS 17 12.590 7.762 -6.250
110 HZ1 LYS 17 HZ1 LYS 17 14.548 6.115 -7.480
111 HZ2 LYS 17 HZ2 LYS 17 14.671 7.059 -6.083
112 HZ3 LYS 17 HZ3 LYS 17 14.988 7.744 -7.597
113 H HIS 18 H HIS 18 9.311 8.785 -9.510
114 HA HIS 18 HA HIS 18 8.909 9.942 -11.428
115 HB2 HIS 18 HB2 HIS 18 7.765 7.383 -12.551
116 HB3 HIS 18 HB3 HIS 18 8.466 8.731 -13.443
117 HD1 HIS 18 HD1 HIS 18 9.431 5.697 -13.551
118 HD2 HIS 18 HD2 HIS 18 11.227 8.786 -11.431
119 HE1 HIS 18 HE1 HIS 18 11.824 4.992 -13.235
120 H LEU 19 H LEU 19 6.787 9.423 -9.319
121 HA LEU 19 HA LEU 19 4.586 10.595 -10.846
122 HB2 LEU 19 HB2 LEU 19 4.267 8.284 -8.936
123 HB3 LEU 19 HB3 LEU 19 2.948 9.179 -9.689
124 HG LEU 19 HG LEU 19 4.941 7.858 -11.460
125 HD11 LEU 19 HD11 LEU 19 3.112 5.900 -11.243
126 HD12 LEU 19 HD12 LEU 19 3.158 6.464 -9.573
127 HD13 LEU 19 HD13 LEU 19 4.638 5.915 -10.359
128 HD21 LEU 19 HD21 LEU 19 1.990 8.443 -11.553
129 HD22 LEU 19 HD22 LEU 19 2.821 7.461 -12.759
130 HD23 LEU 19 HD23 LEU 19 3.271 9.152 -12.537
131 H VAL 20 H VAL 20 3.007 11.697 -9.489
132 HA VAL 20 HA VAL 20 3.917 12.308 -6.772
133 HB VAL 20 HB VAL 20 3.399 14.753 -7.227
134 HG11 VAL 20 HG11 VAL 20 5.769 13.651 -8.727
135 HG12 VAL 20 HG12 VAL 20 5.624 15.229 -7.951
136 HG13 VAL 20 HG13 VAL 20 5.684 13.764 -6.969
137 HG21 VAL 20 HG21 VAL 20 4.139 14.610 -10.012
138 HG22 VAL 20 HG22 VAL 20 2.630 13.747 -9.712
139 HG23 VAL 20 HG23 VAL 20 2.783 15.443 -9.252
140 H CYS 21 H CYS 21 2.302 12.846 -5.341
141 HA CYS 21 HA CYS 21 -0.329 11.988 -5.996
142 HB2 CYS 21 HB2 CYS 21 0.467 11.647 -3.757
143 HB3 CYS 21 HB3 CYS 21 0.806 13.363 -3.557
144 H SER 22 H SER 22 -1.265 13.241 -7.559
145 HA SER 22 HA SER 22 -1.225 16.097 -7.491
146 HB2 SER 22 HB2 SER 22 -1.525 14.536 -9.537
147 HB3 SER 22 HB3 SER 22 -3.219 14.473 -9.053
148 HG SER 22 HG SER 22 -1.830 16.908 -9.440
149 H ARG 23 H ARG 23 -2.139 16.977 -5.708
150 HA ARG 23 HA ARG 23 -4.486 16.002 -4.457
151 HB2 ARG 23 HB2 ARG 23 -3.144 18.706 -4.291
152 HB3 ARG 23 HB3 ARG 23 -4.452 18.178 -3.241
153 HG2 ARG 23 HG2 ARG 23 -3.089 16.456 -2.296
154 HG3 ARG 23 HG3 ARG 23 -1.805 16.766 -3.467
155 HD2 ARG 23 HD2 ARG 23 -1.188 18.757 -2.457
156 HD3 ARG 23 HD3 ARG 23 -2.754 18.958 -1.671
157 HE ARG 23 HE ARG 23 -1.932 17.803 0.111
158 HH11 ARG 23 HH11 ARG 23 -0.024 17.011 -2.692
159 HH12 ARG 23 HH12 ARG 23 1.108 16.042 -1.809
160 HH21 ARG 23 HH21 ARG 23 -0.448 16.529 1.285
161 HH22 ARG 23 HH22 ARG 23 0.865 15.767 0.453
162 H ARG 24 H ARG 24 -3.962 17.967 -7.212
163 HA ARG 24 HA ARG 24 -6.577 19.217 -7.124
164 HB2 ARG 24 HB2 ARG 24 -4.358 19.266 -9.172
165 HB3 ARG 24 HB3 ARG 24 -5.890 20.106 -9.380
166 HG2 ARG 24 HG2 ARG 24 -4.993 20.907 -6.877
167 HG3 ARG 24 HG3 ARG 24 -3.547 20.884 -7.889
168 HD2 ARG 24 HD2 ARG 24 -4.378 23.029 -8.208
169 HD3 ARG 24 HD3 ARG 24 -5.001 22.149 -9.602
170 HE ARG 24 HE ARG 24 -7.006 21.913 -7.826
171 HH11 ARG 24 HH11 ARG 24 -5.170 24.651 -8.946
172 HH12 ARG 24 HH12 ARG 24 -6.470 25.775 -8.733
173 HH21 ARG 24 HH21 ARG 24 -8.726 23.384 -7.542
174 HH22 ARG 24 HH22 ARG 24 -8.492 25.054 -7.933
175 H HIS 25 H HIS 25 -4.880 16.893 -9.222
176 HA HIS 25 HA HIS 25 -7.189 16.290 -10.777
177 HB2 HIS 25 HB2 HIS 25 -4.461 15.074 -10.488
178 HB3 HIS 25 HB3 HIS 25 -5.711 14.227 -11.395
179 HD1 HIS 25 HD1 HIS 25 -6.250 15.078 -13.719
180 HD2 HIS 25 HD2 HIS 25 -3.627 17.546 -11.648
181 HE1 HIS 25 HE1 HIS 25 -5.401 16.730 -15.415
182 H GLY 26 H GLY 26 -5.808 15.010 -7.837
183 HA2 GLY 26 HA2 GLY 26 -6.988 13.773 -6.230
184 HA3 GLY 26 HA3 GLY 26 -8.212 13.411 -7.438
185 H TRP 27 H TRP 27 -4.991 12.931 -8.458
186 HA TRP 27 HA TRP 27 -4.749 10.219 -7.541
187 HB2 TRP 27 HB2 TRP 27 -4.829 9.183 -9.779
188 HB3 TRP 27 HB3 TRP 27 -6.380 9.885 -9.326
189 HD1 TRP 27 HD1 TRP 27 -3.257 11.180 -11.261
190 HE1 TRP 27 HE1 TRP 27 -4.096 12.463 -13.329
191 HE3 TRP 27 HE3 TRP 27 -8.293 10.667 -10.546
192 HZ2 TRP 27 HZ2 TRP 27 -6.565 13.165 -14.501
193 HZ3 TRP 27 HZ3 TRP 27 -9.825 11.674 -12.186
194 HH2 TRP 27 HH2 TRP 27 -8.978 12.898 -14.122
195 H CYS 28 H CYS 28 -2.775 9.173 -8.375
196 HA CYS 28 HA CYS 28 -0.577 10.935 -8.299
197 HB2 CYS 28 HB2 CYS 28 -0.644 8.057 -9.231
198 HB3 CYS 28 HB3 CYS 28 0.790 8.955 -8.746
199 H VAL 29 H VAL 29 0.381 12.078 -9.844
200 HA VAL 29 HA VAL 29 -0.214 11.403 -12.652
201 HB VAL 29 HB VAL 29 0.246 13.804 -13.151
202 HG11 VAL 29 HG11 VAL 29 -2.036 12.768 -11.614
203 HG12 VAL 29 HG12 VAL 29 -1.905 14.526 -11.677
204 HG13 VAL 29 HG13 VAL 29 -1.995 13.594 -13.171
205 HG21 VAL 29 HG21 VAL 29 0.103 15.386 -11.215
206 HG22 VAL 29 HG22 VAL 29 0.317 14.000 -10.145
207 HG23 VAL 29 HG23 VAL 29 1.590 14.440 -11.283
208 H TRP 30 H TRP 30 1.473 11.959 -14.218
209 HA TRP 30 HA TRP 30 3.944 10.837 -13.574
210 HB2 TRP 30 HB2 TRP 30 3.111 12.627 -15.859
211 HB3 TRP 30 HB3 TRP 30 4.706 11.888 -15.754
212 HD1 TRP 30 HD1 TRP 30 1.739 11.326 -17.573
213 HE1 TRP 30 HE1 TRP 30 1.342 8.843 -18.124
214 HE3 TRP 30 HE3 TRP 30 4.960 9.222 -14.206
215 HZ2 TRP 30 HZ2 TRP 30 2.271 6.326 -17.247
216 HZ3 TRP 30 HZ3 TRP 30 5.146 6.769 -14.126
217 HH2 TRP 30 HH2 TRP 30 3.828 5.353 -15.616
218 H ASP 31 H ASP 31 5.527 11.601 -12.355
219 HA ASP 31 HA ASP 31 5.631 14.299 -11.471
220 HB2 ASP 31 HB2 ASP 31 6.448 12.389 -10.122
221 HB3 ASP 31 HB3 ASP 31 7.760 12.158 -11.274
222 H GLY 32 H GLY 32 6.406 16.000 -12.520
223 HA2 GLY 32 HA2 GLY 32 8.354 17.058 -13.530
224 HA3 GLY 32 HA3 GLY 32 8.613 15.574 -14.435
225 H THR 33 H THR 33 5.546 15.544 -14.778
226 HA THR 33 HA THR 33 5.528 17.383 -17.080
227 HB THR 33 HB THR 33 4.048 15.916 -18.219
228 HG1 THR 33 HG1 THR 33 2.678 14.777 -17.091
229 HG21 THR 33 HG21 THR 33 5.665 13.757 -17.048
230 HG22 THR 33 HG22 THR 33 6.582 15.168 -17.576
231 HG23 THR 33 HG23 THR 33 5.549 14.309 -18.718
232 H PHE 34 H PHE 34 3.643 16.164 -14.361
233 HA PHE 34 HA PHE 34 1.223 17.417 -14.794
234 HB2 PHE 34 HB2 PHE 34 0.797 17.179 -12.462
235 HB3 PHE 34 HB3 PHE 34 1.819 15.821 -12.922
236 HD1 PHE 34 HD1 PHE 34 4.346 16.079 -12.517
237 HD2 PHE 34 HD2 PHE 34 1.391 18.534 -10.683
238 HE1 PHE 34 HE1 PHE 34 5.951 16.688 -10.754
239 HE2 PHE 34 HE2 PHE 34 2.991 19.147 -8.918
240 HZ PHE 34 HZ PHE 34 5.275 18.225 -8.952
241 H SER 35 H SER 35 0.359 19.297 -13.446
242 HA SER 35 HA SER 35 1.927 21.622 -14.105
243 HB2 SER 35 HB2 SER 35 -0.657 21.318 -14.259
244 HB3 SER 35 HB3 SER 35 -0.638 21.716 -12.541
245 HG SER 35 HG SER 35 -0.521 23.711 -13.155
Start of MODEL 3
1 H1 GLU 1 H GLU 1 1.557 -0.037 0.731
2 HA GLU 1 HA GLU 1 3.282 0.076 -0.763
3 HB2 GLU 1 HB2 GLU 1 1.297 -1.420 -2.455
4 HB3 GLU 1 HB3 GLU 1 2.831 -0.875 -3.119
5 HG2 GLU 1 HG2 GLU 1 3.506 -2.916 -2.468
6 HG3 GLU 1 HG3 GLU 1 3.725 -2.104 -0.919
7 H CYS 2 H CYS 2 3.786 1.088 -3.008
8 HA CYS 2 HA CYS 2 2.523 3.665 -3.037
9 HB2 CYS 2 HB2 CYS 2 4.189 4.287 -4.633
10 HB3 CYS 2 HB3 CYS 2 4.978 3.256 -3.443
11 H ARG 3 H ARG 3 1.396 4.626 -4.758
12 HA ARG 3 HA ARG 3 -0.069 2.702 -6.409
13 HB2 ARG 3 HB2 ARG 3 -0.658 5.624 -5.901
14 HB3 ARG 3 HB3 ARG 3 -1.705 4.477 -6.727
15 HG2 ARG 3 HG2 ARG 3 -1.066 3.409 -4.176
16 HG3 ARG 3 HG3 ARG 3 -1.579 5.085 -3.968
17 HD2 ARG 3 HD2 ARG 3 -3.683 4.686 -4.824
18 HD3 ARG 3 HD3 ARG 3 -3.153 3.281 -5.748
19 HE ARG 3 HE ARG 3 -2.896 2.748 -2.996
20 HH11 ARG 3 HH11 ARG 3 -5.329 3.173 -5.450
21 HH12 ARG 3 HH12 ARG 3 -6.487 2.154 -4.662
22 HH21 ARG 3 HH21 ARG 3 -4.413 1.405 -1.949
23 HH22 ARG 3 HH22 ARG 3 -5.966 1.150 -2.670
24 H TYR 4 H TYR 4 -0.521 3.214 -8.651
25 HA TYR 4 HA TYR 4 1.784 4.501 -9.925
26 HB2 TYR 4 HB2 TYR 4 1.068 3.277 -11.958
27 HB3 TYR 4 HB3 TYR 4 1.391 2.202 -10.602
28 HD1 TYR 4 HD1 TYR 4 -0.424 1.006 -9.501
29 HD2 TYR 4 HD2 TYR 4 -1.181 3.566 -12.814
30 HE1 TYR 4 HE1 TYR 4 -2.658 0.010 -9.752
31 HE2 TYR 4 HE2 TYR 4 -3.418 2.578 -13.074
32 HH TYR 4 HH TYR 4 -4.738 0.373 -10.718
33 H TRP 5 H TRP 5 0.896 5.153 -12.364
34 HA TRP 5 HA TRP 5 -0.235 7.648 -12.088
35 HB2 TRP 5 HB2 TRP 5 0.918 6.572 -14.132
36 HB3 TRP 5 HB3 TRP 5 -0.689 5.994 -14.561
37 HD1 TRP 5 HD1 TRP 5 0.394 9.497 -13.276
38 HE1 TRP 5 HE1 TRP 5 -0.452 11.250 -14.961
39 HE3 TRP 5 HE3 TRP 5 -1.649 6.358 -16.756
40 HZ2 TRP 5 HZ2 TRP 5 -1.807 11.295 -17.437
41 HZ3 TRP 5 HZ3 TRP 5 -2.701 7.336 -18.754
42 HH2 TRP 5 HH2 TRP 5 -2.778 9.754 -19.085
43 H LEU 6 H LEU 6 -2.245 8.465 -11.930
44 HA LEU 6 HA LEU 6 -4.487 8.556 -11.566
45 HB2 LEU 6 HB2 LEU 6 -4.739 6.201 -13.411
46 HB3 LEU 6 HB3 LEU 6 -5.897 7.499 -13.130
47 HG LEU 6 HG LEU 6 -3.322 7.630 -14.687
48 HD11 LEU 6 HD11 LEU 6 -4.794 8.262 -16.522
49 HD12 LEU 6 HD12 LEU 6 -6.195 8.120 -15.460
50 HD13 LEU 6 HD13 LEU 6 -5.246 6.690 -15.863
51 HD21 LEU 6 HD21 LEU 6 -3.362 9.672 -13.516
52 HD22 LEU 6 HD22 LEU 6 -5.110 9.834 -13.694
53 HD23 LEU 6 HD23 LEU 6 -4.059 10.025 -15.098
54 H GLY 7 H GLY 7 -2.767 6.690 -9.980
55 HA2 GLY 7 HA2 GLY 7 -4.332 4.392 -9.343
56 HA3 GLY 7 HA3 GLY 7 -2.986 5.024 -8.406
57 H GLY 8 H GLY 8 -4.051 7.627 -7.944
58 HA2 GLY 8 HA2 GLY 8 -5.907 8.677 -6.869
59 HA3 GLY 8 HA3 GLY 8 -6.517 7.086 -6.440
60 H CYS 9 H CYS 9 -4.089 9.520 -5.699
61 HA CYS 9 HA CYS 9 -3.138 8.143 -3.360
62 HB2 CYS 9 HB2 CYS 9 -1.737 10.062 -3.005
63 HB3 CYS 9 HB3 CYS 9 -1.734 9.704 -4.729
64 H SER 10 H SER 10 -2.953 9.977 -1.400
65 HA SER 10 HA SER 10 -5.493 11.232 -0.876
66 HB2 SER 10 HB2 SER 10 -5.350 8.569 -0.214
67 HB3 SER 10 HB3 SER 10 -4.878 9.352 1.295
68 HG SER 10 HG SER 10 -6.850 10.730 0.775
69 H ALA 11 H ALA 11 -5.368 11.566 1.819
70 HA ALA 11 HA ALA 11 -3.256 13.471 2.080
71 HB1 ALA 11 HB1 ALA 11 -5.589 13.632 3.072
72 HB2 ALA 11 HB2 ALA 11 -5.025 12.512 4.313
73 HB3 ALA 11 HB3 ALA 11 -4.247 14.084 4.124
74 H GLY 12 H GLY 12 -3.632 10.143 2.898
75 HA2 GLY 12 HA2 GLY 12 -1.073 10.254 4.371
76 HA3 GLY 12 HA3 GLY 12 -2.388 9.199 4.866
77 H GLN 13 H GLN 13 -1.880 9.626 1.488
78 HA GLN 13 HA GLN 13 -0.755 6.910 1.351
79 HB2 GLN 13 HB2 GLN 13 -2.816 8.325 -0.196
80 HB3 GLN 13 HB3 GLN 13 -1.662 7.431 -1.176
81 HG2 GLN 13 HG2 GLN 13 -2.144 5.435 0.275
82 HG3 GLN 13 HG3 GLN 13 -3.468 6.365 0.974
83 HE21 GLN 13 HE21 GLN 13 -2.247 5.976 -2.334
84 HE22 GLN 13 HE22 GLN 13 -3.755 5.479 -3.015
85 H THR 14 H THR 14 0.415 6.596 -0.881
86 HA THR 14 HA THR 14 2.095 8.924 -1.484
87 HB THR 14 HB THR 14 3.448 6.273 -1.299
88 HG1 THR 14 HG1 THR 14 3.323 7.920 0.989
89 HG21 THR 14 HG21 THR 14 5.139 8.109 -0.276
90 HG22 THR 14 HG22 THR 14 4.159 9.139 -1.319
91 HG23 THR 14 HG23 THR 14 5.012 7.754 -1.999
92 H CYS 15 H CYS 15 3.487 8.507 -3.447
93 HA CYS 15 HA CYS 15 2.078 6.759 -5.356
94 HB2 CYS 15 HB2 CYS 15 3.229 9.510 -5.869
95 HB3 CYS 15 HB3 CYS 15 2.561 8.450 -7.106
96 H CYS 16 H CYS 16 3.309 5.586 -6.770
97 HA CYS 16 HA CYS 16 5.869 4.817 -6.051
98 HB2 CYS 16 HB2 CYS 16 4.522 4.663 -8.755
99 HB3 CYS 16 HB3 CYS 16 6.010 3.818 -8.339
100 H LYS 17 H LYS 17 7.771 4.917 -7.712
101 HA LYS 17 HA LYS 17 8.756 7.542 -7.709
102 HB2 LYS 17 HB2 LYS 17 10.031 5.299 -7.826
103 HB3 LYS 17 HB3 LYS 17 9.776 5.405 -9.563
104 HG2 LYS 17 HG2 LYS 17 11.495 6.779 -9.774
105 HG3 LYS 17 HG3 LYS 17 10.797 7.896 -8.599
106 HD2 LYS 17 HD2 LYS 17 12.729 7.372 -7.505
107 HD3 LYS 17 HD3 LYS 17 11.699 6.075 -6.894
108 HE2 LYS 17 HE2 LYS 17 12.655 4.981 -9.198
109 HE3 LYS 17 HE3 LYS 17 14.024 5.965 -8.682
110 HZ1 LYS 17 HZ1 LYS 17 12.850 3.610 -7.423
111 HZ2 LYS 17 HZ2 LYS 17 13.438 4.814 -6.392
112 HZ3 LYS 17 HZ3 LYS 17 14.469 4.090 -7.522
113 H HIS 18 H HIS 18 9.351 8.886 -9.524
114 HA HIS 18 HA HIS 18 8.895 10.058 -11.420
115 HB2 HIS 18 HB2 HIS 18 8.533 7.240 -12.205
116 HB3 HIS 18 HB3 HIS 18 7.730 8.409 -13.250
117 HD1 HIS 18 HD1 HIS 18 9.160 8.885 -15.197
118 HD2 HIS 18 HD2 HIS 18 11.403 8.375 -11.737
119 HE1 HIS 18 HE1 HIS 18 11.550 9.255 -15.885
120 H LEU 19 H LEU 19 6.807 9.500 -9.291
121 HA LEU 19 HA LEU 19 4.573 10.650 -10.784
122 HB2 LEU 19 HB2 LEU 19 4.304 8.316 -8.895
123 HB3 LEU 19 HB3 LEU 19 2.966 9.198 -9.629
124 HG LEU 19 HG LEU 19 4.959 7.938 -11.440
125 HD11 LEU 19 HD11 LEU 19 3.358 6.474 -9.482
126 HD12 LEU 19 HD12 LEU 19 4.729 5.944 -10.456
127 HD13 LEU 19 HD13 LEU 19 3.107 5.954 -11.148
128 HD21 LEU 19 HD21 LEU 19 2.001 8.479 -11.460
129 HD22 LEU 19 HD22 LEU 19 2.790 7.466 -12.670
130 HD23 LEU 19 HD23 LEU 19 3.249 9.161 -12.503
131 H VAL 20 H VAL 20 3.008 11.738 -9.414
132 HA VAL 20 HA VAL 20 3.918 12.316 -6.690
133 HB VAL 20 HB VAL 20 3.470 14.753 -7.068
134 HG11 VAL 20 HG11 VAL 20 5.685 13.801 -8.857
135 HG12 VAL 20 HG12 VAL 20 5.645 15.216 -7.802
136 HG13 VAL 20 HG13 VAL 20 5.753 13.598 -7.106
137 HG21 VAL 20 HG21 VAL 20 2.145 14.733 -9.036
138 HG22 VAL 20 HG22 VAL 20 3.666 15.517 -9.462
139 HG23 VAL 20 HG23 VAL 20 3.374 13.844 -9.936
140 H CYS 21 H CYS 21 2.302 12.817 -5.252
141 HA CYS 21 HA CYS 21 -0.325 11.966 -5.912
142 HB2 CYS 21 HB2 CYS 21 0.470 11.614 -3.676
143 HB3 CYS 21 HB3 CYS 21 0.805 13.330 -3.465
144 H SER 22 H SER 22 -1.266 13.225 -7.468
145 HA SER 22 HA SER 22 -1.245 16.085 -7.362
146 HB2 SER 22 HB2 SER 22 -1.497 14.543 -9.435
147 HB3 SER 22 HB3 SER 22 -3.201 14.475 -8.985
148 HG SER 22 HG SER 22 -2.280 16.244 -10.480
149 H ARG 23 H ARG 23 -2.215 16.960 -5.616
150 HA ARG 23 HA ARG 23 -4.581 15.927 -4.426
151 HB2 ARG 23 HB2 ARG 23 -3.142 18.563 -4.140
152 HB3 ARG 23 HB3 ARG 23 -4.579 18.154 -3.214
153 HG2 ARG 23 HG2 ARG 23 -3.382 16.188 -2.307
154 HG3 ARG 23 HG3 ARG 23 -1.933 16.722 -3.160
155 HD2 ARG 23 HD2 ARG 23 -1.433 17.989 -1.405
156 HD3 ARG 23 HD3 ARG 23 -2.865 18.958 -1.751
157 HE ARG 23 HE ARG 23 -3.921 17.975 0.030
158 HH11 ARG 23 HH11 ARG 23 -1.071 16.144 -0.770
159 HH12 ARG 23 HH12 ARG 23 -1.166 15.134 0.634
160 HH21 ARG 23 HH21 ARG 23 -4.058 16.652 1.883
161 HH22 ARG 23 HH22 ARG 23 -2.867 15.424 2.142
162 H ARG 24 H ARG 24 -3.998 17.934 -7.126
163 HA ARG 24 HA ARG 24 -6.599 19.216 -7.058
164 HB2 ARG 24 HB2 ARG 24 -4.281 19.301 -8.978
165 HB3 ARG 24 HB3 ARG 24 -5.828 20.045 -9.361
166 HG2 ARG 24 HG2 ARG 24 -4.913 20.835 -6.741
167 HG3 ARG 24 HG3 ARG 24 -3.709 21.192 -7.982
168 HD2 ARG 24 HD2 ARG 24 -6.447 21.868 -8.755
169 HD3 ARG 24 HD3 ARG 24 -5.864 22.762 -7.352
170 HE ARG 24 HE ARG 24 -3.914 22.796 -9.391
171 HH11 ARG 24 HH11 ARG 24 -7.026 24.132 -8.582
172 HH12 ARG 24 HH12 ARG 24 -6.793 25.575 -9.512
173 HH21 ARG 24 HH21 ARG 24 -3.596 24.691 -10.619
174 HH22 ARG 24 HH22 ARG 24 -4.842 25.892 -10.671
175 H HIS 25 H HIS 25 -4.918 16.764 -8.991
176 HA HIS 25 HA HIS 25 -7.223 16.249 -10.634
177 HB2 HIS 25 HB2 HIS 25 -4.478 15.077 -10.389
178 HB3 HIS 25 HB3 HIS 25 -5.723 14.184 -11.258
179 HD1 HIS 25 HD1 HIS 25 -6.459 15.092 -13.539
180 HD2 HIS 25 HD2 HIS 25 -3.615 17.452 -11.640
181 HE1 HIS 25 HE1 HIS 25 -5.660 16.718 -15.284
182 H GLY 26 H GLY 26 -5.845 14.954 -7.705
183 HA2 GLY 26 HA2 GLY 26 -7.020 13.689 -6.117
184 HA3 GLY 26 HA3 GLY 26 -8.229 13.319 -7.338
185 H TRP 27 H TRP 27 -4.998 12.891 -8.342
186 HA TRP 27 HA TRP 27 -4.721 10.177 -7.439
187 HB2 TRP 27 HB2 TRP 27 -4.776 9.153 -9.684
188 HB3 TRP 27 HB3 TRP 27 -6.339 9.828 -9.231
189 HD1 TRP 27 HD1 TRP 27 -3.231 11.178 -11.152
190 HE1 TRP 27 HE1 TRP 27 -4.084 12.462 -13.213
191 HE3 TRP 27 HE3 TRP 27 -8.261 10.594 -10.448
192 HZ2 TRP 27 HZ2 TRP 27 -6.561 13.138 -14.386
193 HZ3 TRP 27 HZ3 TRP 27 -9.804 11.590 -12.085
194 HH2 TRP 27 HH2 TRP 27 -8.970 12.836 -14.012
195 H CYS 28 H CYS 28 -2.740 9.152 -8.335
196 HA CYS 28 HA CYS 28 -0.563 10.953 -8.225
197 HB2 CYS 28 HB2 CYS 28 -0.581 8.075 -9.161
198 HB3 CYS 28 HB3 CYS 28 0.835 8.995 -8.664
199 H VAL 29 H VAL 29 0.399 12.096 -9.769
200 HA VAL 29 HA VAL 29 -0.198 11.425 -12.577
201 HB VAL 29 HB VAL 29 0.253 13.829 -13.072
202 HG11 VAL 29 HG11 VAL 29 -1.985 13.652 -13.088
203 HG12 VAL 29 HG12 VAL 29 -2.025 12.764 -11.563
204 HG13 VAL 29 HG13 VAL 29 -1.896 14.524 -11.558
205 HG21 VAL 29 HG21 VAL 29 0.111 15.406 -11.133
206 HG22 VAL 29 HG22 VAL 29 0.331 14.019 -10.065
207 HG23 VAL 29 HG23 VAL 29 1.600 14.464 -11.205
208 H TRP 30 H TRP 30 1.487 12.027 -14.144
209 HA TRP 30 HA TRP 30 3.964 10.900 -13.505
210 HB2 TRP 30 HB2 TRP 30 3.138 12.698 -15.788
211 HB3 TRP 30 HB3 TRP 30 4.718 11.927 -15.687
212 HD1 TRP 30 HD1 TRP 30 1.725 11.426 -17.490
213 HE1 TRP 30 HE1 TRP 30 1.281 8.952 -18.046
214 HE3 TRP 30 HE3 TRP 30 4.937 9.255 -14.156
215 HZ2 TRP 30 HZ2 TRP 30 2.174 6.416 -17.185
216 HZ3 TRP 30 HZ3 TRP 30 5.082 6.800 -14.086
217 HH2 TRP 30 HH2 TRP 30 3.727 5.412 -15.569
218 H ASP 31 H ASP 31 5.724 11.673 -12.541
219 HA ASP 31 HA ASP 31 5.768 14.424 -11.655
220 HB2 ASP 31 HB2 ASP 31 6.451 12.518 -10.185
221 HB3 ASP 31 HB3 ASP 31 7.848 12.270 -11.230
222 H GLY 32 H GLY 32 6.729 16.039 -12.692
223 HA2 GLY 32 HA2 GLY 32 8.812 16.887 -13.666
224 HA3 GLY 32 HA3 GLY 32 8.913 15.384 -14.571
225 H THR 33 H THR 33 5.886 15.632 -14.965
226 HA THR 33 HA THR 33 5.999 17.637 -17.124
227 HB THR 33 HB THR 33 5.969 15.528 -18.210
228 HG1 THR 33 HG1 THR 33 4.275 15.952 -19.446
229 HG21 THR 33 HG21 THR 33 5.372 14.071 -16.398
230 HG22 THR 33 HG22 THR 33 4.210 13.824 -17.701
231 HG23 THR 33 HG23 THR 33 3.763 14.784 -16.291
232 H PHE 34 H PHE 34 4.091 16.132 -14.603
233 HA PHE 34 HA PHE 34 1.591 17.199 -15.068
234 HB2 PHE 34 HB2 PHE 34 1.111 16.818 -12.772
235 HB3 PHE 34 HB3 PHE 34 2.285 15.588 -13.230
236 HD1 PHE 34 HD2 PHE 34 4.790 16.229 -12.789
237 HD2 PHE 34 HD1 PHE 34 1.455 18.025 -10.848
238 HE1 PHE 34 HE2 PHE 34 6.251 16.938 -10.941
239 HE2 PHE 34 HE1 PHE 34 2.911 18.737 -8.997
240 HZ PHE 34 HZ PHE 34 5.312 18.192 -9.041
241 H SER 35 H SER 35 0.528 18.952 -13.708
242 HA SER 35 HA SER 35 2.290 21.311 -13.569
243 HB2 SER 35 HB2 SER 35 -0.331 22.222 -14.036
244 HB3 SER 35 HB3 SER 35 1.026 22.255 -15.161
245 HG SER 35 HG SER 35 -1.184 20.911 -15.434
Start of MODEL 4
1 H1 GLU 1 H GLU 1 1.898 -0.307 0.944
2 HA GLU 1 HA GLU 1 3.190 -0.067 -0.953
3 HB2 GLU 1 HB2 GLU 1 0.807 -1.602 -1.409
4 HB3 GLU 1 HB3 GLU 1 1.264 -0.782 -2.896
5 HG2 GLU 1 HG2 GLU 1 2.414 -2.752 -3.085
6 HG3 GLU 1 HG3 GLU 1 3.634 -1.703 -2.363
7 H CYS 2 H CYS 2 3.621 1.079 -2.902
8 HA CYS 2 HA CYS 2 2.404 3.678 -2.962
9 HB2 CYS 2 HB2 CYS 2 4.082 4.252 -4.564
10 HB3 CYS 2 HB3 CYS 2 4.851 3.223 -3.360
11 H ARG 3 H ARG 3 1.287 4.637 -4.686
12 HA ARG 3 HA ARG 3 -0.208 2.723 -6.319
13 HB2 ARG 3 HB2 ARG 3 -0.743 5.662 -5.853
14 HB3 ARG 3 HB3 ARG 3 -1.811 4.522 -6.659
15 HG2 ARG 3 HG2 ARG 3 -1.184 3.486 -4.090
16 HG3 ARG 3 HG3 ARG 3 -1.677 5.171 -3.912
17 HD2 ARG 3 HD2 ARG 3 -3.577 3.613 -3.766
18 HD3 ARG 3 HD3 ARG 3 -3.728 4.736 -5.117
19 HE ARG 3 HE ARG 3 -3.684 2.952 -6.537
20 HH11 ARG 3 HH11 ARG 3 -2.366 1.968 -3.469
21 HH12 ARG 3 HH12 ARG 3 -2.236 0.299 -3.913
22 HH21 ARG 3 HH21 ARG 3 -3.518 0.756 -7.133
23 HH22 ARG 3 HH22 ARG 3 -2.891 -0.389 -5.998
24 H TYR 4 H TYR 4 -0.655 3.224 -8.568
25 HA TYR 4 HA TYR 4 1.676 4.451 -9.856
26 HB2 TYR 4 HB2 TYR 4 0.945 3.212 -11.873
27 HB3 TYR 4 HB3 TYR 4 1.248 2.150 -10.503
28 HD1 TYR 4 HD1 TYR 4 -0.593 1.005 -9.384
29 HD2 TYR 4 HD2 TYR 4 -1.294 3.520 -12.744
30 HE1 TYR 4 HE1 TYR 4 -2.843 0.042 -9.627
31 HE2 TYR 4 HE2 TYR 4 -3.546 2.565 -12.996
32 HH TYR 4 HH TYR 4 -4.993 0.610 -10.600
33 H TRP 5 H TRP 5 0.800 5.084 -12.305
34 HA TRP 5 HA TRP 5 -0.289 7.601 -12.066
35 HB2 TRP 5 HB2 TRP 5 0.845 6.477 -14.094
36 HB3 TRP 5 HB3 TRP 5 -0.772 5.917 -14.514
37 HD1 TRP 5 HD1 TRP 5 0.371 9.422 -13.286
38 HE1 TRP 5 HE1 TRP 5 -0.452 11.162 -14.995
39 HE3 TRP 5 HE3 TRP 5 -1.736 6.263 -16.708
40 HZ2 TRP 5 HZ2 TRP 5 -1.815 11.190 -17.467
41 HZ3 TRP 5 HZ3 TRP 5 -2.780 7.227 -18.717
42 HH2 TRP 5 HH2 TRP 5 -2.818 9.640 -19.086
43 H LEU 6 H LEU 6 -2.287 8.457 -11.938
44 HA LEU 6 HA LEU 6 -4.526 8.590 -11.566
45 HB2 LEU 6 HB2 LEU 6 -4.817 6.215 -13.380
46 HB3 LEU 6 HB3 LEU 6 -5.955 7.536 -13.116
47 HG LEU 6 HG LEU 6 -3.379 7.604 -14.676
48 HD11 LEU 6 HD11 LEU 6 -6.244 8.133 -15.452
49 HD12 LEU 6 HD12 LEU 6 -5.318 6.684 -15.840
50 HD13 LEU 6 HD13 LEU 6 -4.842 8.241 -16.517
51 HD21 LEU 6 HD21 LEU 6 -5.127 9.851 -13.710
52 HD22 LEU 6 HD22 LEU 6 -4.072 10.007 -15.115
53 HD23 LEU 6 HD23 LEU 6 -3.383 9.661 -13.529
54 H GLY 7 H GLY 7 -2.838 6.715 -9.956
55 HA2 GLY 7 HA2 GLY 7 -4.445 4.454 -9.288
56 HA3 GLY 7 HA3 GLY 7 -3.086 5.073 -8.360
57 H GLY 8 H GLY 8 -4.127 7.711 -7.960
58 HA2 GLY 8 HA2 GLY 8 -5.951 8.807 -6.888
59 HA3 GLY 8 HA3 GLY 8 -6.594 7.234 -6.441
60 H CYS 9 H CYS 9 -4.118 9.626 -5.723
61 HA CYS 9 HA CYS 9 -3.208 8.257 -3.362
62 HB2 CYS 9 HB2 CYS 9 -1.757 10.144 -3.031
63 HB3 CYS 9 HB3 CYS 9 -1.754 9.754 -4.748
64 H SER 10 H SER 10 -2.978 10.116 -1.431
65 HA SER 10 HA SER 10 -5.484 11.448 -0.935
66 HB2 SER 10 HB2 SER 10 -5.777 8.942 -0.343
67 HB3 SER 10 HB3 SER 10 -4.744 9.303 1.041
68 HG SER 10 HG SER 10 -7.366 9.913 0.621
69 H ALA 11 H ALA 11 -5.358 11.823 1.754
70 HA ALA 11 HA ALA 11 -3.194 13.672 1.992
71 HB1 ALA 11 HB1 ALA 11 -4.170 13.699 4.455
72 HB2 ALA 11 HB2 ALA 11 -5.006 14.480 3.111
73 HB3 ALA 11 HB3 ALA 11 -5.518 12.885 3.662
74 H GLY 12 H GLY 12 -3.671 10.371 2.870
75 HA2 GLY 12 HA2 GLY 12 -1.118 10.436 4.357
76 HA3 GLY 12 HA3 GLY 12 -2.463 9.418 4.850
77 H GLN 13 H GLN 13 -1.918 9.793 1.473
78 HA GLN 13 HA GLN 13 -0.850 7.053 1.377
79 HB2 GLN 13 HB2 GLN 13 -2.872 8.491 -0.200
80 HB3 GLN 13 HB3 GLN 13 -1.732 7.558 -1.161
81 HG2 GLN 13 HG2 GLN 13 -2.266 5.593 0.315
82 HG3 GLN 13 HG3 GLN 13 -3.573 6.562 0.992
83 HE21 GLN 13 HE21 GLN 13 -2.341 6.100 -2.302
84 HE22 GLN 13 HE22 GLN 13 -3.855 5.625 -2.986
85 H THR 14 H THR 14 0.317 6.692 -0.855
86 HA THR 14 HA THR 14 2.051 8.975 -1.473
87 HB THR 14 HB THR 14 3.346 6.298 -1.249
88 HG1 THR 14 HG1 THR 14 2.559 6.325 0.778
89 HG21 THR 14 HG21 THR 14 4.119 9.147 -1.307
90 HG22 THR 14 HG22 THR 14 4.947 7.733 -1.960
91 HG23 THR 14 HG23 THR 14 5.071 8.113 -0.243
92 H CYS 15 H CYS 15 3.441 8.508 -3.425
93 HA CYS 15 HA CYS 15 2.006 6.767 -5.319
94 HB2 CYS 15 HB2 CYS 15 3.205 9.494 -5.846
95 HB3 CYS 15 HB3 CYS 15 2.550 8.431 -7.087
96 H CYS 16 H CYS 16 3.219 5.552 -6.714
97 HA CYS 16 HA CYS 16 5.757 4.736 -5.975
98 HB2 CYS 16 HB2 CYS 16 4.411 4.585 -8.678
99 HB3 CYS 16 HB3 CYS 16 5.890 3.725 -8.264
100 H LYS 17 H LYS 17 7.676 4.782 -7.610
101 HA LYS 17 HA LYS 17 8.712 7.387 -7.630
102 HB2 LYS 17 HB2 LYS 17 9.944 5.119 -7.707
103 HB3 LYS 17 HB3 LYS 17 9.708 5.208 -9.448
104 HG2 LYS 17 HG2 LYS 17 11.442 6.564 -9.667
105 HG3 LYS 17 HG3 LYS 17 10.773 7.687 -8.480
106 HD2 LYS 17 HD2 LYS 17 12.794 7.072 -7.520
107 HD3 LYS 17 HD3 LYS 17 11.647 5.984 -6.735
108 HE2 LYS 17 HE2 LYS 17 12.382 4.145 -7.914
109 HE3 LYS 17 HE3 LYS 17 13.000 5.117 -9.249
110 HZ1 LYS 17 HZ1 LYS 17 14.977 5.352 -8.262
111 HZ2 LYS 17 HZ2 LYS 17 14.520 4.020 -7.326
112 HZ3 LYS 17 HZ3 LYS 17 14.315 5.588 -6.723
113 H HIS 18 H HIS 18 9.350 8.699 -9.453
114 HA HIS 18 HA HIS 18 8.937 9.858 -11.366
115 HB2 HIS 18 HB2 HIS 18 8.530 7.039 -12.123
116 HB3 HIS 18 HB3 HIS 18 7.759 8.210 -13.189
117 HD1 HIS 18 HD1 HIS 18 9.217 8.621 -15.130
118 HD2 HIS 18 HD2 HIS 18 11.415 8.145 -11.637
119 HE1 HIS 18 HE1 HIS 18 11.619 8.945 -15.798
120 H LEU 19 H LEU 19 6.816 9.361 -9.253
121 HA LEU 19 HA LEU 19 4.619 10.536 -10.782
122 HB2 LEU 19 HB2 LEU 19 4.282 8.234 -8.865
123 HB3 LEU 19 HB3 LEU 19 2.973 9.128 -9.635
124 HG LEU 19 HG LEU 19 4.980 7.782 -11.375
125 HD11 LEU 19 HD11 LEU 19 4.635 5.812 -10.381
126 HD12 LEU 19 HD12 LEU 19 3.031 5.882 -11.110
127 HD13 LEU 19 HD13 LEU 19 3.267 6.415 -9.446
128 HD21 LEU 19 HD21 LEU 19 2.872 7.393 -12.697
129 HD22 LEU 19 HD22 LEU 19 3.337 9.081 -12.486
130 HD23 LEU 19 HD23 LEU 19 2.036 8.396 -11.511
131 H VAL 20 H VAL 20 3.068 11.680 -9.449
132 HA VAL 20 HA VAL 20 3.967 12.276 -6.722
133 HB VAL 20 HB VAL 20 3.550 14.711 -7.135
134 HG11 VAL 20 HG11 VAL 20 5.718 15.105 -8.262
135 HG12 VAL 20 HG12 VAL 20 5.811 13.883 -6.993
136 HG13 VAL 20 HG13 VAL 20 5.775 13.394 -8.687
137 HG21 VAL 20 HG21 VAL 20 3.445 13.763 -9.991
138 HG22 VAL 20 HG22 VAL 20 2.225 14.679 -9.106
139 HG23 VAL 20 HG23 VAL 20 3.756 15.440 -9.539
140 H CYS 21 H CYS 21 2.352 12.841 -5.299
141 HA CYS 21 HA CYS 21 -0.284 12.004 -5.960
142 HB2 CYS 21 HB2 CYS 21 0.503 11.665 -3.717
143 HB3 CYS 21 HB3 CYS 21 0.852 13.380 -3.523
144 H SER 22 H SER 22 -1.207 13.257 -7.528
145 HA SER 22 HA SER 22 -1.144 16.116 -7.462
146 HB2 SER 22 HB2 SER 22 -1.429 14.550 -9.511
147 HB3 SER 22 HB3 SER 22 -3.131 14.513 -9.053
148 HG SER 22 HG SER 22 -2.703 16.982 -9.004
149 H ARG 23 H ARG 23 -2.097 17.044 -5.737
150 HA ARG 23 HA ARG 23 -4.467 16.065 -4.511
151 HB2 ARG 23 HB2 ARG 23 -3.189 18.797 -4.297
152 HB3 ARG 23 HB3 ARG 23 -4.411 18.146 -3.213
153 HG2 ARG 23 HG2 ARG 23 -2.661 16.229 -2.881
154 HG3 ARG 23 HG3 ARG 23 -1.527 17.454 -3.455
155 HD2 ARG 23 HD2 ARG 23 -1.444 18.173 -1.346
156 HD3 ARG 23 HD3 ARG 23 -3.066 18.811 -1.610
157 HE ARG 23 HE ARG 23 -3.046 16.058 -0.803
158 HH11 ARG 23 HH11 ARG 23 -2.956 19.355 0.310
159 HH12 ARG 23 HH12 ARG 23 -3.600 18.982 1.874
160 HH21 ARG 23 HH21 ARG 23 -3.895 15.554 1.253
161 HH22 ARG 23 HH22 ARG 23 -4.133 16.819 2.410
162 H ARG 24 H ARG 24 -3.867 18.046 -7.238
163 HA ARG 24 HA ARG 24 -6.458 19.342 -7.188
164 HB2 ARG 24 HB2 ARG 24 -4.143 19.371 -9.113
165 HB3 ARG 24 HB3 ARG 24 -5.685 20.115 -9.514
166 HG2 ARG 24 HG2 ARG 24 -4.416 20.854 -6.936
167 HG3 ARG 24 HG3 ARG 24 -3.711 21.485 -8.426
168 HD2 ARG 24 HD2 ARG 24 -5.716 22.580 -9.024
169 HD3 ARG 24 HD3 ARG 24 -6.646 21.699 -7.813
170 HE ARG 24 HE ARG 24 -4.852 23.052 -6.322
171 HH11 ARG 24 HH11 ARG 24 -7.051 24.017 -8.843
172 HH12 ARG 24 HH12 ARG 24 -7.273 25.617 -8.216
173 HH21 ARG 24 HH21 ARG 24 -5.137 25.156 -5.486
174 HH22 ARG 24 HH22 ARG 24 -6.184 26.264 -6.307
175 H HIS 25 H HIS 25 -4.806 16.865 -9.121
176 HA HIS 25 HA HIS 25 -7.120 16.338 -10.736
177 HB2 HIS 25 HB2 HIS 25 -4.395 15.124 -10.466
178 HB3 HIS 25 HB3 HIS 25 -5.653 14.244 -11.329
179 HD1 HIS 25 HD1 HIS 25 -6.360 15.136 -13.624
180 HD2 HIS 25 HD2 HIS 25 -3.483 17.468 -11.741
181 HE1 HIS 25 HE1 HIS 25 -5.524 16.724 -15.386
182 H GLY 26 H GLY 26 -5.750 15.064 -7.792
183 HA2 GLY 26 HA2 GLY 26 -6.940 13.844 -6.178
184 HA3 GLY 26 HA3 GLY 26 -8.163 13.482 -7.386
185 H TRP 27 H TRP 27 -4.944 12.977 -8.399
186 HA TRP 27 HA TRP 27 -4.719 10.269 -7.462
187 HB2 TRP 27 HB2 TRP 27 -4.803 9.218 -9.693
188 HB3 TRP 27 HB3 TRP 27 -6.350 9.932 -9.246
189 HD1 TRP 27 HD1 TRP 27 -3.218 11.196 -11.188
190 HE1 TRP 27 HE1 TRP 27 -4.049 12.469 -13.265
191 HE3 TRP 27 HE3 TRP 27 -8.258 10.715 -10.473
192 HZ2 TRP 27 HZ2 TRP 27 -6.514 13.176 -14.444
193 HZ3 TRP 27 HZ3 TRP 27 -9.784 11.719 -12.121
194 HH2 TRP 27 HH2 TRP 27 -8.928 12.924 -14.065
195 H CYS 28 H CYS 28 -2.760 9.195 -8.338
196 HA CYS 28 HA CYS 28 -0.547 10.950 -8.258
197 HB2 CYS 28 HB2 CYS 28 -0.634 8.064 -9.163
198 HB3 CYS 28 HB3 CYS 28 0.808 8.957 -8.691
199 H VAL 29 H VAL 29 0.434 12.059 -9.814
200 HA VAL 29 HA VAL 29 -0.183 11.376 -12.615
201 HB VAL 29 HB VAL 29 0.316 13.766 -13.132
202 HG11 VAL 29 HG11 VAL 29 -1.923 13.641 -13.148
203 HG12 VAL 29 HG12 VAL 29 -1.983 12.754 -11.624
204 HG13 VAL 29 HG13 VAL 29 -1.820 14.510 -11.617
205 HG21 VAL 29 HG21 VAL 29 0.393 13.981 -10.128
206 HG22 VAL 29 HG22 VAL 29 1.676 14.387 -11.268
207 HG23 VAL 29 HG23 VAL 29 0.208 15.363 -11.208
208 H TRP 30 H TRP 30 1.505 11.892 -14.192
209 HA TRP 30 HA TRP 30 3.965 10.741 -13.536
210 HB2 TRP 30 HB2 TRP 30 3.127 12.478 -15.858
211 HB3 TRP 30 HB3 TRP 30 4.726 11.747 -15.744
212 HD1 TRP 30 HD1 TRP 30 1.723 11.128 -17.505
213 HE1 TRP 30 HE1 TRP 30 1.343 8.632 -18.003
214 HE3 TRP 30 HE3 TRP 30 5.037 9.122 -14.169
215 HZ2 TRP 30 HZ2 TRP 30 2.319 6.142 -17.101
216 HZ3 TRP 30 HZ3 TRP 30 5.253 6.674 -14.049
217 HH2 TRP 30 HH2 TRP 30 3.921 5.216 -15.485
218 H ASP 31 H ASP 31 5.573 11.513 -12.355
219 HA ASP 31 HA ASP 31 5.713 14.247 -11.560
220 HB2 ASP 31 HB2 ASP 31 6.472 12.268 -10.185
221 HB3 ASP 31 HB3 ASP 31 7.871 12.156 -11.250
222 H GLY 32 H GLY 32 6.520 15.875 -12.695
223 HA2 GLY 32 HA2 GLY 32 8.520 16.841 -13.710
224 HA3 GLY 32 HA3 GLY 32 8.751 15.313 -14.547
225 H THR 33 H THR 33 5.700 15.330 -14.946
226 HA THR 33 HA THR 33 5.750 17.089 -17.308
227 HB THR 33 HB THR 33 4.268 15.602 -18.425
228 HG1 THR 33 HG1 THR 33 2.838 14.655 -17.183
229 HG21 THR 33 HG21 THR 33 6.067 13.673 -16.997
230 HG22 THR 33 HG22 THR 33 6.735 14.912 -18.060
231 HG23 THR 33 HG23 THR 33 5.609 13.716 -18.699
232 H PHE 34 H PHE 34 3.811 15.992 -14.578
233 HA PHE 34 HA PHE 34 1.407 17.242 -15.097
234 HB2 PHE 34 HB2 PHE 34 0.945 17.099 -12.766
235 HB3 PHE 34 HB3 PHE 34 1.973 15.723 -13.149
236 HD1 PHE 34 HD2 PHE 34 4.522 16.070 -12.766
237 HD2 PHE 34 HD1 PHE 34 1.482 18.461 -10.987
238 HE1 PHE 34 HE2 PHE 34 6.097 16.757 -11.005
239 HE2 PHE 34 HE1 PHE 34 3.053 19.152 -9.224
240 HZ PHE 34 HZ PHE 34 5.363 18.299 -9.230
241 H SER 35 H SER 35 0.514 19.198 -13.973
242 HA SER 35 HA SER 35 2.490 21.357 -13.734
243 HB2 SER 35 HB2 SER 35 0.256 22.558 -14.906
244 HB3 SER 35 HB3 SER 35 1.803 22.227 -15.687
245 HG SER 35 HG SER 35 -0.155 21.343 -16.718
Start of MODEL 5
1 H1 GLU 1 H GLU 1 1.298 -1.023 0.373
2 HA GLU 1 HA GLU 1 3.221 0.079 -0.690
3 HB2 GLU 1 HB2 GLU 1 1.395 -1.278 -2.682
4 HB3 GLU 1 HB3 GLU 1 3.114 -0.988 -2.910
5 HG2 GLU 1 HG2 GLU 1 3.053 -3.193 -2.244
6 HG3 GLU 1 HG3 GLU 1 3.402 -2.345 -0.738
7 H CYS 2 H CYS 2 3.748 1.083 -2.954
8 HA CYS 2 HA CYS 2 2.448 3.642 -3.003
9 HB2 CYS 2 HB2 CYS 2 4.123 4.285 -4.582
10 HB3 CYS 2 HB3 CYS 2 4.913 3.270 -3.380
11 H ARG 3 H ARG 3 1.329 4.583 -4.740
12 HA ARG 3 HA ARG 3 -0.091 2.635 -6.402
13 HB2 ARG 3 HB2 ARG 3 -0.724 5.551 -5.912
14 HB3 ARG 3 HB3 ARG 3 -1.747 4.387 -6.744
15 HG2 ARG 3 HG2 ARG 3 -1.119 3.341 -4.180
16 HG3 ARG 3 HG3 ARG 3 -1.662 5.009 -3.988
17 HD2 ARG 3 HD2 ARG 3 -3.712 4.558 -5.100
18 HD3 ARG 3 HD3 ARG 3 -3.145 2.978 -5.640
19 HE ARG 3 HE ARG 3 -3.230 3.285 -2.779
20 HH11 ARG 3 HH11 ARG 3 -5.011 2.389 -5.632
21 HH12 ARG 3 HH12 ARG 3 -6.143 1.398 -4.773
22 HH21 ARG 3 HH21 ARG 3 -4.714 1.983 -1.636
23 HH22 ARG 3 HH22 ARG 3 -5.973 1.168 -2.500
24 H TYR 4 H TYR 4 -0.526 3.138 -8.651
25 HA TYR 4 HA TYR 4 1.779 4.446 -9.903
26 HB2 TYR 4 HB2 TYR 4 1.098 3.212 -11.941
27 HB3 TYR 4 HB3 TYR 4 1.416 2.142 -10.580
28 HD1 TYR 4 HD1 TYR 4 -0.400 0.932 -9.495
29 HD2 TYR 4 HD2 TYR 4 -1.144 3.477 -12.823
30 HE1 TYR 4 HE1 TYR 4 -2.622 -0.086 -9.769
31 HE2 TYR 4 HE2 TYR 4 -3.369 2.466 -13.106
32 HH TYR 4 HH TYR 4 -4.442 0.179 -12.489
33 H TRP 5 H TRP 5 0.908 5.084 -12.353
34 HA TRP 5 HA TRP 5 -0.246 7.569 -12.097
35 HB2 TRP 5 HB2 TRP 5 0.930 6.493 -14.128
36 HB3 TRP 5 HB3 TRP 5 -0.670 5.901 -14.566
37 HD1 TRP 5 HD1 TRP 5 0.378 9.418 -13.291
38 HE1 TRP 5 HE1 TRP 5 -0.471 11.156 -14.989
39 HE3 TRP 5 HE3 TRP 5 -1.621 6.247 -16.767
40 HZ2 TRP 5 HZ2 TRP 5 -1.812 11.179 -17.472
41 HZ3 TRP 5 HZ3 TRP 5 -2.669 7.208 -18.775
42 HH2 TRP 5 HH2 TRP 5 -2.762 9.623 -19.118
43 H LEU 6 H LEU 6 -2.265 8.375 -11.977
44 HA LEU 6 HA LEU 6 -4.510 8.447 -11.615
45 HB2 LEU 6 HB2 LEU 6 -4.742 6.093 -13.462
46 HB3 LEU 6 HB3 LEU 6 -5.898 7.396 -13.197
47 HG LEU 6 HG LEU 6 -3.310 7.508 -14.733
48 HD11 LEU 6 HD11 LEU 6 -4.775 8.171 -16.572
49 HD12 LEU 6 HD12 LEU 6 -6.178 8.010 -15.517
50 HD13 LEU 6 HD13 LEU 6 -5.221 6.589 -15.932
51 HD21 LEU 6 HD21 LEU 6 -3.820 9.886 -15.106
52 HD22 LEU 6 HD22 LEU 6 -3.475 9.533 -13.413
53 HD23 LEU 6 HD23 LEU 6 -5.141 9.771 -13.942
54 H GLY 7 H GLY 7 -2.791 6.594 -10.017
55 HA2 GLY 7 HA2 GLY 7 -4.336 4.278 -9.399
56 HA3 GLY 7 HA3 GLY 7 -3.012 4.927 -8.443
57 H GLY 8 H GLY 8 -4.096 7.507 -7.971
58 HA2 GLY 8 HA2 GLY 8 -5.997 8.531 -6.934
59 HA3 GLY 8 HA3 GLY 8 -6.579 6.930 -6.503
60 H CYS 9 H CYS 9 -4.206 9.414 -5.751
61 HA CYS 9 HA CYS 9 -3.258 8.065 -3.393
62 HB2 CYS 9 HB2 CYS 9 -1.866 9.980 -3.051
63 HB3 CYS 9 HB3 CYS 9 -1.876 9.649 -4.780
64 H SER 10 H SER 10 -3.119 9.896 -1.438
65 HA SER 10 HA SER 10 -5.672 11.140 -0.953
66 HB2 SER 10 HB2 SER 10 -5.805 8.576 -0.385
67 HB3 SER 10 HB3 SER 10 -4.920 9.054 1.063
68 HG SER 10 HG SER 10 -7.439 9.126 0.859
69 H ALA 11 H ALA 11 -5.588 11.477 1.744
70 HA ALA 11 HA ALA 11 -3.489 13.392 2.034
71 HB1 ALA 11 HB1 ALA 11 -5.550 13.948 3.034
72 HB2 ALA 11 HB2 ALA 11 -5.639 12.409 3.892
73 HB3 ALA 11 HB3 ALA 11 -4.445 13.617 4.369
74 H GLY 12 H GLY 12 -3.854 10.063 2.838
75 HA2 GLY 12 HA2 GLY 12 -1.322 10.187 4.356
76 HA3 GLY 12 HA3 GLY 12 -2.639 9.122 4.827
77 H GLN 13 H GLN 13 -2.087 9.555 1.458
78 HA GLN 13 HA GLN 13 -0.932 6.851 1.337
79 HB2 GLN 13 HB2 GLN 13 -2.989 8.243 -0.236
80 HB3 GLN 13 HB3 GLN 13 -1.814 7.359 -1.201
81 HG2 GLN 13 HG2 GLN 13 -2.294 5.361 0.251
82 HG3 GLN 13 HG3 GLN 13 -3.638 6.280 0.926
83 HE21 GLN 13 HE21 GLN 13 -2.361 5.891 -2.361
84 HE22 GLN 13 HE22 GLN 13 -3.852 5.375 -3.064
85 H THR 14 H THR 14 0.272 6.545 -0.876
86 HA THR 14 HA THR 14 1.933 8.892 -1.461
87 HB THR 14 HB THR 14 3.313 6.257 -1.265
88 HG1 THR 14 HG1 THR 14 2.823 7.936 0.988
89 HG21 THR 14 HG21 THR 14 4.870 7.759 -1.935
90 HG22 THR 14 HG22 THR 14 4.966 8.110 -0.210
91 HG23 THR 14 HG23 THR 14 3.989 9.130 -1.265
92 H CYS 15 H CYS 15 3.356 8.484 -3.406
93 HA CYS 15 HA CYS 15 1.989 6.722 -5.332
94 HB2 CYS 15 HB2 CYS 15 3.109 9.489 -5.831
95 HB3 CYS 15 HB3 CYS 15 2.472 8.420 -7.076
96 H CYS 16 H CYS 16 3.251 5.569 -6.735
97 HA CYS 16 HA CYS 16 5.815 4.835 -5.986
98 HB2 CYS 16 HB2 CYS 16 4.494 4.654 -8.701
99 HB3 CYS 16 HB3 CYS 16 5.992 3.834 -8.271
100 H LYS 17 H LYS 17 7.728 4.955 -7.635
101 HA LYS 17 HA LYS 17 8.678 7.595 -7.628
102 HB2 LYS 17 HB2 LYS 17 9.949 5.318 -7.766
103 HB3 LYS 17 HB3 LYS 17 9.771 5.525 -9.503
104 HG2 LYS 17 HG2 LYS 17 11.071 7.482 -9.511
105 HG3 LYS 17 HG3 LYS 17 10.974 7.648 -7.756
106 HD2 LYS 17 HD2 LYS 17 12.468 5.889 -7.391
107 HD3 LYS 17 HD3 LYS 17 12.251 5.245 -9.020
108 HE2 LYS 17 HE2 LYS 17 13.634 6.825 -9.971
109 HE3 LYS 17 HE3 LYS 17 13.378 7.986 -8.669
110 HZ1 LYS 17 HZ1 LYS 17 15.411 6.023 -8.944
111 HZ2 LYS 17 HZ2 LYS 17 14.576 5.808 -7.490
112 HZ3 LYS 17 HZ3 LYS 17 15.299 7.298 -7.838
113 H HIS 18 H HIS 18 9.274 8.940 -9.443
114 HA HIS 18 HA HIS 18 8.820 10.101 -11.346
115 HB2 HIS 18 HB2 HIS 18 8.496 7.277 -12.125
116 HB3 HIS 18 HB3 HIS 18 7.689 8.433 -13.180
117 HD1 HIS 18 HD1 HIS 18 9.138 8.828 -15.134
118 HD2 HIS 18 HD2 HIS 18 11.339 8.540 -11.622
119 HE1 HIS 18 HE1 HIS 18 11.526 9.248 -15.800
120 H LEU 19 H LEU 19 6.723 9.527 -9.232
121 HA LEU 19 HA LEU 19 4.485 10.643 -10.746
122 HB2 LEU 19 HB2 LEU 19 4.229 8.319 -8.844
123 HB3 LEU 19 HB3 LEU 19 2.888 9.179 -9.597
124 HG LEU 19 HG LEU 19 4.914 7.926 -11.377
125 HD11 LEU 19 HD11 LEU 19 2.892 6.013 -10.931
126 HD12 LEU 19 HD12 LEU 19 3.544 6.454 -9.354
127 HD13 LEU 19 HD13 LEU 19 4.622 5.865 -10.620
128 HD21 LEU 19 HD21 LEU 19 1.946 8.414 -11.443
129 HD22 LEU 19 HD22 LEU 19 2.788 7.442 -12.650
130 HD23 LEU 19 HD23 LEU 19 3.195 9.147 -12.450
131 H VAL 20 H VAL 20 2.881 11.696 -9.379
132 HA VAL 20 HA VAL 20 3.775 12.311 -6.658
133 HB VAL 20 HB VAL 20 3.213 14.749 -7.100
134 HG11 VAL 20 HG11 VAL 20 5.505 13.878 -6.797
135 HG12 VAL 20 HG12 VAL 20 5.617 13.635 -8.542
136 HG13 VAL 20 HG13 VAL 20 5.438 15.263 -7.886
137 HG21 VAL 20 HG21 VAL 20 2.605 15.445 -9.124
138 HG22 VAL 20 HG22 VAL 20 3.974 14.632 -9.883
139 HG23 VAL 20 HG23 VAL 20 2.475 13.750 -9.594
140 H CYS 21 H CYS 21 2.145 12.800 -5.230
141 HA CYS 21 HA CYS 21 -0.467 11.902 -5.900
142 HB2 CYS 21 HB2 CYS 21 0.323 11.564 -3.660
143 HB3 CYS 21 HB3 CYS 21 0.634 13.284 -3.450
144 H SER 22 H SER 22 -1.413 13.148 -7.465
145 HA SER 22 HA SER 22 -1.431 16.004 -7.378
146 HB2 SER 22 HB2 SER 22 -1.685 14.451 -9.436
147 HB3 SER 22 HB3 SER 22 -3.381 14.350 -8.965
148 HG SER 22 HG SER 22 -1.930 16.716 -9.564
149 H ARG 23 H ARG 23 -2.353 16.803 -5.548
150 HA ARG 23 HA ARG 23 -4.683 15.791 -4.325
151 HB2 ARG 23 HB2 ARG 23 -3.617 18.614 -4.156
152 HB3 ARG 23 HB3 ARG 23 -4.668 17.811 -2.996
153 HG2 ARG 23 HG2 ARG 23 -2.929 16.972 -1.912
154 HG3 ARG 23 HG3 ARG 23 -2.275 16.276 -3.396
155 HD2 ARG 23 HD2 ARG 23 -0.978 18.138 -3.851
156 HD3 ARG 23 HD3 ARG 23 -1.981 19.202 -2.866
157 HE ARG 23 HE ARG 23 0.284 17.717 -2.004
158 HH11 ARG 23 HH11 ARG 23 -2.831 18.878 -0.973
159 HH12 ARG 23 HH12 ARG 23 -2.403 18.927 0.705
160 HH21 ARG 23 HH21 ARG 23 0.860 17.776 0.203
161 HH22 ARG 23 HH22 ARG 23 -0.303 18.300 1.373
162 H ARG 24 H ARG 24 -4.211 17.796 -7.070
163 HA ARG 24 HA ARG 24 -6.869 18.947 -6.993
164 HB2 ARG 24 HB2 ARG 24 -4.552 19.129 -8.899
165 HB3 ARG 24 HB3 ARG 24 -6.141 19.737 -9.347
166 HG2 ARG 24 HG2 ARG 24 -5.920 20.974 -7.017
167 HG3 ARG 24 HG3 ARG 24 -4.201 20.771 -7.359
168 HD2 ARG 24 HD2 ARG 24 -5.957 21.804 -9.525
169 HD3 ARG 24 HD3 ARG 24 -5.552 22.888 -8.194
170 HE ARG 24 HE ARG 24 -3.280 21.558 -9.359
171 HH11 ARG 24 HH11 ARG 24 -5.393 24.320 -9.527
172 HH12 ARG 24 HH12 ARG 24 -4.240 25.316 -10.349
173 HH21 ARG 24 HH21 ARG 24 -1.752 22.861 -10.442
174 HH22 ARG 24 HH22 ARG 24 -2.169 24.485 -10.870
175 H HIS 25 H HIS 25 -5.093 16.787 -9.208
176 HA HIS 25 HA HIS 25 -7.361 16.084 -10.740
177 HB2 HIS 25 HB2 HIS 25 -4.605 14.952 -10.420
178 HB3 HIS 25 HB3 HIS 25 -5.817 14.049 -11.323
179 HD1 HIS 25 HD1 HIS 25 -6.492 14.947 -13.625
180 HD2 HIS 25 HD2 HIS 25 -3.733 17.340 -11.643
181 HE1 HIS 25 HE1 HIS 25 -5.661 16.582 -15.346
182 H GLY 26 H GLY 26 -5.993 14.824 -7.785
183 HA2 GLY 26 HA2 GLY 26 -7.166 13.553 -6.199
184 HA3 GLY 26 HA3 GLY 26 -8.366 13.172 -7.425
185 H TRP 27 H TRP 27 -5.123 12.765 -8.405
186 HA TRP 27 HA TRP 27 -4.837 10.054 -7.497
187 HB2 TRP 27 HB2 TRP 27 -4.866 9.028 -9.741
188 HB3 TRP 27 HB3 TRP 27 -6.436 9.694 -9.304
189 HD1 TRP 27 HD1 TRP 27 -3.317 11.055 -11.200
190 HE1 TRP 27 HE1 TRP 27 -4.157 12.333 -13.270
191 HE3 TRP 27 HE3 TRP 27 -8.351 10.454 -10.536
192 HZ2 TRP 27 HZ2 TRP 27 -6.627 13.000 -14.463
193 HZ3 TRP 27 HZ3 TRP 27 -9.884 11.444 -12.187
194 HH2 TRP 27 HH2 TRP 27 -9.038 12.690 -14.109
195 H CYS 28 H CYS 28 -2.834 9.050 -8.333
196 HA CYS 28 HA CYS 28 -0.673 10.858 -8.213
197 HB2 CYS 28 HB2 CYS 28 -0.671 7.983 -9.157
198 HB3 CYS 28 HB3 CYS 28 0.741 8.908 -8.656
199 H VAL 29 H VAL 29 0.268 12.036 -9.741
200 HA VAL 29 HA VAL 29 -0.271 11.356 -12.559
201 HB VAL 29 HB VAL 29 0.125 13.769 -13.047
202 HG11 VAL 29 HG11 VAL 29 -2.051 14.506 -11.761
203 HG12 VAL 29 HG12 VAL 29 -2.120 13.312 -13.058
204 HG13 VAL 29 HG13 VAL 29 -2.133 12.787 -11.374
205 HG21 VAL 29 HG21 VAL 29 0.174 13.957 -10.040
206 HG22 VAL 29 HG22 VAL 29 1.439 14.439 -11.170
207 HG23 VAL 29 HG23 VAL 29 -0.074 15.341 -11.104
208 H TRP 30 H TRP 30 1.422 12.004 -14.100
209 HA TRP 30 HA TRP 30 3.911 10.926 -13.443
210 HB2 TRP 30 HB2 TRP 30 3.105 12.766 -15.701
211 HB3 TRP 30 HB3 TRP 30 4.682 11.990 -15.592
212 HD1 TRP 30 HD1 TRP 30 1.730 11.533 -17.463
213 HE1 TRP 30 HE1 TRP 30 1.287 9.073 -18.075
214 HE3 TRP 30 HE3 TRP 30 4.857 9.285 -14.100
215 HZ2 TRP 30 HZ2 TRP 30 2.149 6.517 -17.242
216 HZ3 TRP 30 HZ3 TRP 30 4.989 6.828 -14.073
217 HH2 TRP 30 HH2 TRP 30 3.662 5.474 -15.612
218 H ASP 31 H ASP 31 5.638 11.711 -12.430
219 HA ASP 31 HA ASP 31 5.616 14.439 -11.480
220 HB2 ASP 31 HB2 ASP 31 6.329 12.517 -10.051
221 HB3 ASP 31 HB3 ASP 31 7.736 12.317 -11.093
222 H GLY 32 H GLY 32 6.555 16.104 -12.456
223 HA2 GLY 32 HA2 GLY 32 8.637 17.013 -13.387
224 HA3 GLY 32 HA3 GLY 32 8.755 15.547 -14.348
225 H THR 33 H THR 33 5.737 15.755 -14.757
226 HA THR 33 HA THR 33 5.820 17.859 -16.821
227 HB THR 33 HB THR 33 5.874 15.623 -17.838
228 HG1 THR 33 HG1 THR 33 4.794 17.082 -19.086
229 HG21 THR 33 HG21 THR 33 3.171 15.190 -16.564
230 HG22 THR 33 HG22 THR 33 4.670 14.463 -15.985
231 HG23 THR 33 HG23 THR 33 4.059 14.065 -17.591
232 H PHE 34 H PHE 34 3.929 16.198 -14.387
233 HA PHE 34 HA PHE 34 1.409 17.230 -14.823
234 HB2 PHE 34 HB2 PHE 34 0.919 16.730 -12.554
235 HB3 PHE 34 HB3 PHE 34 2.128 15.552 -13.055
236 HD1 PHE 34 HD1 PHE 34 4.614 16.242 -12.565
237 HD2 PHE 34 HD2 PHE 34 1.214 17.844 -10.567
238 HE1 PHE 34 HE1 PHE 34 6.041 16.899 -10.672
239 HE2 PHE 34 HE2 PHE 34 2.636 18.505 -8.671
240 HZ PHE 34 HZ PHE 34 5.053 18.033 -8.722
241 H SER 35 H SER 35 0.295 18.897 -13.402
242 HA SER 35 HA SER 35 -0.012 21.074 -12.814
243 HB2 SER 35 HB2 SER 35 2.050 20.313 -11.306
244 HB3 SER 35 HB3 SER 35 2.892 21.508 -12.293
245 HG SER 35 HG SER 35 1.694 23.081 -11.450
Start of MODEL 6
1 H1 GLU 1 H GLU 1 1.065 -0.978 0.349
2 HA GLU 1 HA GLU 1 3.090 0.193 -0.567
3 HB2 GLU 1 HB2 GLU 1 1.272 -1.479 -2.244
4 HB3 GLU 1 HB3 GLU 1 2.674 -0.740 -3.006
5 HG2 GLU 1 HG2 GLU 1 3.926 -2.401 -2.269
6 HG3 GLU 1 HG3 GLU 1 3.576 -1.913 -0.611
7 H CYS 2 H CYS 2 3.649 1.154 -2.864
8 HA CYS 2 HA CYS 2 2.375 3.724 -2.947
9 HB2 CYS 2 HB2 CYS 2 4.061 4.331 -4.529
10 HB3 CYS 2 HB3 CYS 2 4.837 3.323 -3.312
11 H ARG 3 H ARG 3 1.261 4.654 -4.690
12 HA ARG 3 HA ARG 3 -0.172 2.702 -6.334
13 HB2 ARG 3 HB2 ARG 3 -0.774 5.631 -5.888
14 HB3 ARG 3 HB3 ARG 3 -1.809 4.465 -6.701
15 HG2 ARG 3 HG2 ARG 3 -1.189 3.459 -4.117
16 HG3 ARG 3 HG3 ARG 3 -1.725 5.132 -3.958
17 HD2 ARG 3 HD2 ARG 3 -3.646 3.711 -3.815
18 HD3 ARG 3 HD3 ARG 3 -3.703 4.563 -5.357
19 HE ARG 3 HE ARG 3 -3.560 2.549 -6.421
20 HH11 ARG 3 HH11 ARG 3 -2.502 2.155 -3.128
21 HH12 ARG 3 HH12 ARG 3 -2.363 0.432 -3.241
22 HH21 ARG 3 HH21 ARG 3 -3.380 0.281 -6.583
23 HH22 ARG 3 HH22 ARG 3 -2.861 -0.633 -5.207
24 H TYR 4 H TYR 4 -0.599 3.182 -8.590
25 HA TYR 4 HA TYR 4 1.724 4.449 -9.854
26 HB2 TYR 4 HB2 TYR 4 1.038 3.193 -11.876
27 HB3 TYR 4 HB3 TYR 4 1.340 2.139 -10.499
28 HD1 TYR 4 HD1 TYR 4 -0.496 0.967 -9.402
29 HD2 TYR 4 HD2 TYR 4 -1.194 3.465 -12.775
30 HE1 TYR 4 HE1 TYR 4 -2.728 -0.031 -9.672
31 HE2 TYR 4 HE2 TYR 4 -3.428 2.474 -13.054
32 HH TYR 4 HH TYR 4 -4.618 -0.030 -10.831
33 H TRP 5 H TRP 5 0.863 5.058 -12.317
34 HA TRP 5 HA TRP 5 -0.266 7.559 -12.099
35 HB2 TRP 5 HB2 TRP 5 0.902 6.442 -14.112
36 HB3 TRP 5 HB3 TRP 5 -0.703 5.859 -14.544
37 HD1 TRP 5 HD1 TRP 5 0.377 9.384 -13.317
38 HE1 TRP 5 HE1 TRP 5 -0.453 11.105 -15.042
39 HE3 TRP 5 HE3 TRP 5 -1.646 6.182 -16.751
40 HZ2 TRP 5 HZ2 TRP 5 -1.788 11.105 -17.529
41 HZ3 TRP 5 HZ3 TRP 5 -2.681 7.123 -18.775
42 HH2 TRP 5 HH2 TRP 5 -2.750 9.534 -19.154
43 H LEU 6 H LEU 6 -2.278 8.386 -11.991
44 HA LEU 6 HA LEU 6 -4.522 8.485 -11.635
45 HB2 LEU 6 HB2 LEU 6 -4.772 6.107 -13.448
46 HB3 LEU 6 HB3 LEU 6 -5.919 7.422 -13.202
47 HG LEU 6 HG LEU 6 -3.329 7.495 -14.736
48 HD11 LEU 6 HD11 LEU 6 -6.191 8.007 -15.532
49 HD12 LEU 6 HD12 LEU 6 -5.245 6.572 -15.925
50 HD13 LEU 6 HD13 LEU 6 -4.784 8.140 -16.587
51 HD21 LEU 6 HD21 LEU 6 -5.146 9.782 -13.985
52 HD22 LEU 6 HD22 LEU 6 -3.818 9.870 -15.142
53 HD23 LEU 6 HD23 LEU 6 -3.486 9.539 -13.441
54 H GLY 7 H GLY 7 -2.823 6.637 -10.008
55 HA2 GLY 7 HA2 GLY 7 -4.392 4.346 -9.359
56 HA3 GLY 7 HA3 GLY 7 -3.063 4.996 -8.410
57 H GLY 8 H GLY 8 -4.134 7.597 -7.990
58 HA2 GLY 8 HA2 GLY 8 -6.022 8.653 -6.968
59 HA3 GLY 8 HA3 GLY 8 -6.621 7.064 -6.514
60 H CYS 9 H CYS 9 -4.225 9.537 -5.793
61 HA CYS 9 HA CYS 9 -3.300 8.213 -3.411
62 HB2 CYS 9 HB2 CYS 9 -1.882 10.113 -3.098
63 HB3 CYS 9 HB3 CYS 9 -1.891 9.753 -4.821
64 H SER 10 H SER 10 -3.143 10.062 -1.482
65 HA SER 10 HA SER 10 -5.674 11.361 -1.028
66 HB2 SER 10 HB2 SER 10 -5.750 8.761 -0.397
67 HB3 SER 10 HB3 SER 10 -5.028 9.373 1.091
68 HG SER 10 HG SER 10 -7.349 10.532 -0.030
69 H ALA 11 H ALA 11 -5.600 11.732 1.664
70 HA ALA 11 HA ALA 11 -3.465 13.609 1.943
71 HB1 ALA 11 HB1 ALA 11 -4.988 14.516 3.277
72 HB2 ALA 11 HB2 ALA 11 -5.946 13.035 3.264
73 HB3 ALA 11 HB3 ALA 11 -4.660 13.242 4.452
74 H GLY 12 H GLY 12 -3.901 10.298 2.788
75 HA2 GLY 12 HA2 GLY 12 -1.379 10.394 4.326
76 HA3 GLY 12 HA3 GLY 12 -2.717 9.355 4.792
77 H GLN 13 H GLN 13 -2.130 9.747 1.426
78 HA GLN 13 HA GLN 13 -1.010 7.027 1.339
79 HB2 GLN 13 HB2 GLN 13 -3.041 8.428 -0.261
80 HB3 GLN 13 HB3 GLN 13 -1.872 7.517 -1.208
81 HG2 GLN 13 HG2 GLN 13 -2.387 5.543 0.265
82 HG3 GLN 13 HG3 GLN 13 -3.724 6.488 0.919
83 HE21 GLN 13 HE21 GLN 13 -2.430 6.041 -2.353
84 HE22 GLN 13 HE22 GLN 13 -3.923 5.537 -3.060
85 H THR 14 H THR 14 0.198 6.686 -0.869
86 HA THR 14 HA THR 14 1.891 9.005 -1.469
87 HB THR 14 HB THR 14 3.239 6.356 -1.232
88 HG1 THR 14 HG1 THR 14 2.900 6.275 0.847
89 HG21 THR 14 HG21 THR 14 4.820 7.827 -1.913
90 HG22 THR 14 HG22 THR 14 4.908 8.208 -0.194
91 HG23 THR 14 HG23 THR 14 3.949 9.220 -1.273
92 H CYS 15 H CYS 15 3.318 8.561 -3.402
93 HA CYS 15 HA CYS 15 1.941 6.792 -5.314
94 HB2 CYS 15 HB2 CYS 15 3.095 9.540 -5.835
95 HB3 CYS 15 HB3 CYS 15 2.461 8.464 -7.076
96 H CYS 16 H CYS 16 3.197 5.607 -6.697
97 HA CYS 16 HA CYS 16 5.746 4.847 -5.925
98 HB2 CYS 16 HB2 CYS 16 4.432 4.657 -8.642
99 HB3 CYS 16 HB3 CYS 16 5.926 3.832 -8.209
100 H LYS 17 H LYS 17 7.675 4.928 -7.555
101 HA LYS 17 HA LYS 17 8.656 7.557 -7.567
102 HB2 LYS 17 HB2 LYS 17 9.899 5.261 -7.668
103 HB3 LYS 17 HB3 LYS 17 9.744 5.455 -9.409
104 HG2 LYS 17 HG2 LYS 17 11.528 6.758 -9.427
105 HG3 LYS 17 HG3 LYS 17 10.719 7.896 -8.347
106 HD2 LYS 17 HD2 LYS 17 12.822 7.184 -7.376
107 HD3 LYS 17 HD3 LYS 17 11.476 6.565 -6.416
108 HE2 LYS 17 HE2 LYS 17 11.774 4.385 -7.188
109 HE3 LYS 17 HE3 LYS 17 12.712 4.908 -8.587
110 HZ1 LYS 17 HZ1 LYS 17 13.804 3.898 -6.390
111 HZ2 LYS 17 HZ2 LYS 17 13.842 5.540 -5.986
112 HZ3 LYS 17 HZ3 LYS 17 14.604 4.998 -7.396
113 H HIS 18 H HIS 18 9.285 8.874 -9.391
114 HA HIS 18 HA HIS 18 8.864 10.019 -11.311
115 HB2 HIS 18 HB2 HIS 18 8.516 7.189 -12.062
116 HB3 HIS 18 HB3 HIS 18 7.732 8.342 -13.137
117 HD1 HIS 18 HD1 HIS 18 9.209 8.664 -15.086
118 HD2 HIS 18 HD2 HIS 18 11.363 8.462 -11.540
119 HE1 HIS 18 HE1 HIS 18 11.607 9.058 -15.733
120 H LEU 19 H LEU 19 6.738 9.491 -9.213
121 HA LEU 19 HA LEU 19 4.529 10.615 -10.764
122 HB2 LEU 19 HB2 LEU 19 4.228 8.319 -8.833
123 HB3 LEU 19 HB3 LEU 19 2.904 9.184 -9.611
124 HG LEU 19 HG LEU 19 4.939 7.871 -11.342
125 HD11 LEU 19 HD11 LEU 19 3.216 6.476 -9.426
126 HD12 LEU 19 HD12 LEU 19 4.646 5.914 -10.291
127 HD13 LEU 19 HD13 LEU 19 3.074 5.913 -11.091
128 HD21 LEU 19 HD21 LEU 19 2.840 7.428 -12.661
129 HD22 LEU 19 HD22 LEU 19 3.266 9.127 -12.458
130 HD23 LEU 19 HD23 LEU 19 1.982 8.416 -11.478
131 H VAL 20 H VAL 20 2.925 11.704 -9.427
132 HA VAL 20 HA VAL 20 3.805 12.350 -6.708
133 HB VAL 20 HB VAL 20 3.259 14.785 -7.190
134 HG11 VAL 20 HG11 VAL 20 5.506 15.225 -8.165
135 HG12 VAL 20 HG12 VAL 20 5.526 14.094 -6.810
136 HG13 VAL 20 HG13 VAL 20 5.667 13.495 -8.463
137 HG21 VAL 20 HG21 VAL 20 2.674 15.457 -9.230
138 HG22 VAL 20 HG22 VAL 20 4.033 14.612 -9.970
139 HG23 VAL 20 HG23 VAL 20 2.521 13.756 -9.668
140 H CYS 21 H CYS 21 2.171 12.888 -5.297
141 HA CYS 21 HA CYS 21 -0.444 11.991 -5.969
142 HB2 CYS 21 HB2 CYS 21 0.334 11.675 -3.720
143 HB3 CYS 21 HB3 CYS 21 0.653 13.396 -3.530
144 H SER 22 H SER 22 -1.385 13.220 -7.546
145 HA SER 22 HA SER 22 -1.376 16.077 -7.503
146 HB2 SER 22 HB2 SER 22 -1.644 14.497 -9.538
147 HB3 SER 22 HB3 SER 22 -3.341 14.415 -9.065
148 HG SER 22 HG SER 22 -2.070 16.909 -9.348
149 H ARG 23 H ARG 23 -2.288 16.904 -5.677
150 HA ARG 23 HA ARG 23 -4.629 15.934 -4.444
151 HB2 ARG 23 HB2 ARG 23 -3.372 18.681 -4.321
152 HB3 ARG 23 HB3 ARG 23 -4.636 18.104 -3.243
153 HG2 ARG 23 HG2 ARG 23 -3.184 16.456 -2.308
154 HG3 ARG 23 HG3 ARG 23 -1.940 16.798 -3.512
155 HD2 ARG 23 HD2 ARG 23 -2.927 18.980 -1.726
156 HD3 ARG 23 HD3 ARG 23 -1.757 17.811 -1.116
157 HE ARG 23 HE ARG 23 -1.240 19.964 -2.897
158 HH11 ARG 23 HH11 ARG 23 -0.307 16.694 -2.151
159 HH12 ARG 23 HH12 ARG 23 1.290 16.863 -2.800
160 HH21 ARG 23 HH21 ARG 23 0.861 20.199 -3.754
161 HH22 ARG 23 HH22 ARG 23 1.954 18.858 -3.711
162 H ARG 24 H ARG 24 -4.139 17.884 -7.221
163 HA ARG 24 HA ARG 24 -6.784 19.068 -7.157
164 HB2 ARG 24 HB2 ARG 24 -4.481 19.191 -9.089
165 HB3 ARG 24 HB3 ARG 24 -6.060 19.845 -9.503
166 HG2 ARG 24 HG2 ARG 24 -4.980 20.716 -6.912
167 HG3 ARG 24 HG3 ARG 24 -4.089 21.261 -8.335
168 HD2 ARG 24 HD2 ARG 24 -6.465 21.876 -9.227
169 HD3 ARG 24 HD3 ARG 24 -6.904 21.835 -7.520
170 HE ARG 24 HE ARG 24 -5.413 23.863 -8.854
171 HH11 ARG 24 HH11 ARG 24 -5.787 22.214 -5.811
172 HH12 ARG 24 HH12 ARG 24 -5.186 23.539 -4.871
173 HH21 ARG 24 HH21 ARG 24 -4.620 25.615 -7.627
174 HH22 ARG 24 HH22 ARG 24 -4.523 25.473 -5.904
175 H HIS 25 H HIS 25 -5.029 16.861 -9.342
176 HA HIS 25 HA HIS 25 -7.304 16.162 -10.866
177 HB2 HIS 25 HB2 HIS 25 -4.560 15.003 -10.529
178 HB3 HIS 25 HB3 HIS 25 -5.781 14.105 -11.426
179 HD1 HIS 25 HD1 HIS 25 -6.418 14.968 -13.745
180 HD2 HIS 25 HD2 HIS 25 -3.681 17.389 -11.767
181 HE1 HIS 25 HE1 HIS 25 -5.571 16.581 -15.479
182 H GLY 26 H GLY 26 -5.950 14.929 -7.893
183 HA2 GLY 26 HA2 GLY 26 -7.136 13.690 -6.292
184 HA3 GLY 26 HA3 GLY 26 -8.338 13.303 -7.513
185 H TRP 27 H TRP 27 -5.098 12.854 -8.485
186 HA TRP 27 HA TRP 27 -4.836 10.153 -7.539
187 HB2 TRP 27 HB2 TRP 27 -4.872 9.096 -9.768
188 HB3 TRP 27 HB3 TRP 27 -6.437 9.782 -9.342
189 HD1 TRP 27 HD1 TRP 27 -3.305 11.091 -11.253
190 HE1 TRP 27 HE1 TRP 27 -4.133 12.347 -13.341
191 HE3 TRP 27 HE3 TRP 27 -8.344 10.540 -10.588
192 HZ2 TRP 27 HZ2 TRP 27 -6.595 13.017 -14.547
193 HZ3 TRP 27 HZ3 TRP 27 -9.867 11.518 -12.254
194 HH2 TRP 27 HH2 TRP 27 -9.009 12.731 -14.191
195 H CYS 28 H CYS 28 -2.841 9.120 -8.360
196 HA CYS 28 HA CYS 28 -0.664 10.910 -8.262
197 HB2 CYS 28 HB2 CYS 28 -0.686 8.024 -9.172
198 HB3 CYS 28 HB3 CYS 28 0.732 8.943 -8.677
199 H VAL 29 H VAL 29 0.295 12.055 -9.803
200 HA VAL 29 HA VAL 29 -0.253 11.350 -12.613
201 HB VAL 29 HB VAL 29 0.177 13.753 -13.127
202 HG11 VAL 29 HG11 VAL 29 -2.100 12.812 -11.457
203 HG12 VAL 29 HG12 VAL 29 -1.997 14.528 -11.857
204 HG13 VAL 29 HG13 VAL 29 -2.072 13.324 -13.144
205 HG21 VAL 29 HG21 VAL 29 1.490 14.425 -11.252
206 HG22 VAL 29 HG22 VAL 29 -0.011 15.349 -11.203
207 HG23 VAL 29 HG23 VAL 29 0.214 13.974 -10.122
208 H TRP 30 H TRP 30 1.446 11.925 -14.162
209 HA TRP 30 HA TRP 30 3.922 10.838 -13.485
210 HB2 TRP 30 HB2 TRP 30 3.107 12.623 -15.781
211 HB3 TRP 30 HB3 TRP 30 4.702 11.884 -15.655
212 HD1 TRP 30 HD1 TRP 30 1.754 11.320 -17.508
213 HE1 TRP 30 HE1 TRP 30 1.368 8.838 -18.067
214 HE3 TRP 30 HE3 TRP 30 4.944 9.219 -14.111
215 HZ2 TRP 30 HZ2 TRP 30 2.293 6.321 -17.184
216 HZ3 TRP 30 HZ3 TRP 30 5.135 6.767 -14.032
217 HH2 TRP 30 HH2 TRP 30 3.836 5.350 -15.537
218 H ASP 31 H ASP 31 5.451 11.625 -12.211
219 HA ASP 31 HA ASP 31 5.518 14.335 -11.359
220 HB2 ASP 31 HB2 ASP 31 6.309 12.386 -10.000
221 HB3 ASP 31 HB3 ASP 31 7.696 12.256 -11.077
222 H GLY 32 H GLY 32 6.312 16.024 -12.411
223 HA2 GLY 32 HA2 GLY 32 8.291 17.076 -13.374
224 HA3 GLY 32 HA3 GLY 32 8.575 15.583 -14.256
225 H THR 33 H THR 33 5.519 15.546 -14.682
226 HA THR 33 HA THR 33 5.557 17.371 -16.995
227 HB THR 33 HB THR 33 4.130 15.885 -18.175
228 HG1 THR 33 HG1 THR 33 3.121 14.140 -17.195
229 HG21 THR 33 HG21 THR 33 6.651 15.156 -17.426
230 HG22 THR 33 HG22 THR 33 5.675 14.311 -18.628
231 HG23 THR 33 HG23 THR 33 5.716 13.735 -16.962
232 H PHE 34 H PHE 34 3.602 16.140 -14.331
233 HA PHE 34 HA PHE 34 1.184 17.366 -14.844
234 HB2 PHE 34 HB2 PHE 34 0.687 17.126 -12.526
235 HB3 PHE 34 HB3 PHE 34 1.741 15.781 -12.949
236 HD1 PHE 34 HD1 PHE 34 4.262 16.106 -12.484
237 HD2 PHE 34 HD2 PHE 34 1.193 18.463 -10.713
238 HE1 PHE 34 HE1 PHE 34 5.801 16.742 -10.672
239 HE2 PHE 34 HE2 PHE 34 2.727 19.103 -8.899
240 HZ PHE 34 HZ PHE 34 5.034 18.243 -8.877
241 H SER 35 H SER 35 0.259 19.239 -13.526
242 HA SER 35 HA SER 35 0.156 21.486 -13.183
243 HB2 SER 35 HB2 SER 35 2.384 20.563 -11.748
244 HB3 SER 35 HB3 SER 35 2.935 22.020 -12.574
245 HG SER 35 HG SER 35 0.865 22.942 -11.715
Start of MODEL 7
1 H1 GLU 1 H GLU 1 0.376 0.170 -0.409
2 HA GLU 1 HA GLU 1 3.066 -0.228 -1.009
3 HB2 GLU 1 HB2 GLU 1 1.270 -2.011 -2.425
4 HB3 GLU 1 HB3 GLU 1 2.161 -0.985 -3.540
5 HG2 GLU 1 HG2 GLU 1 4.262 -1.720 -2.568
6 HG3 GLU 1 HG3 GLU 1 3.388 -2.717 -1.406
7 H CYS 2 H CYS 2 3.618 0.845 -3.241
8 HA CYS 2 HA CYS 2 2.400 3.443 -3.181
9 HB2 CYS 2 HB2 CYS 2 4.086 4.093 -4.747
10 HB3 CYS 2 HB3 CYS 2 4.849 3.010 -3.587
11 H ARG 3 H ARG 3 1.289 4.483 -4.861
12 HA ARG 3 HA ARG 3 -0.199 2.650 -6.590
13 HB2 ARG 3 HB2 ARG 3 -0.729 5.567 -5.999
14 HB3 ARG 3 HB3 ARG 3 -1.798 4.463 -6.853
15 HG2 ARG 3 HG2 ARG 3 -1.171 3.330 -4.321
16 HG3 ARG 3 HG3 ARG 3 -1.676 5.004 -4.085
17 HD2 ARG 3 HD2 ARG 3 -3.767 4.636 -5.040
18 HD3 ARG 3 HD3 ARG 3 -3.238 3.169 -5.863
19 HE ARG 3 HE ARG 3 -3.048 2.770 -3.095
20 HH11 ARG 3 HH11 ARG 3 -5.457 3.198 -5.572
21 HH12 ARG 3 HH12 ARG 3 -6.664 2.274 -4.741
22 HH21 ARG 3 HH21 ARG 3 -4.629 1.552 -1.990
23 HH22 ARG 3 HH22 ARG 3 -6.193 1.340 -2.703
24 H TYR 4 H TYR 4 -0.626 3.244 -8.816
25 HA TYR 4 HA TYR 4 1.712 4.526 -10.035
26 HB2 TYR 4 HB2 TYR 4 0.991 3.378 -12.109
27 HB3 TYR 4 HB3 TYR 4 1.284 2.256 -10.785
28 HD1 TYR 4 HD2 TYR 4 -0.564 1.064 -9.731
29 HD2 TYR 4 HD1 TYR 4 -1.244 3.733 -12.974
30 HE1 TYR 4 HE2 TYR 4 -2.814 0.117 -10.032
31 HE2 TYR 4 HE1 TYR 4 -3.496 2.794 -13.283
32 HH TYR 4 HH TYR 4 -5.139 1.551 -12.180
33 H TRP 5 H TRP 5 0.851 5.267 -12.459
34 HA TRP 5 HA TRP 5 -0.237 7.773 -12.114
35 HB2 TRP 5 HB2 TRP 5 0.909 6.733 -14.183
36 HB3 TRP 5 HB3 TRP 5 -0.708 6.206 -14.639
37 HD1 TRP 5 HD1 TRP 5 0.434 9.642 -13.232
38 HE1 TRP 5 HE1 TRP 5 -0.358 11.465 -14.868
39 HE3 TRP 5 HE3 TRP 5 -1.632 6.659 -16.835
40 HZ2 TRP 5 HZ2 TRP 5 -1.684 11.618 -17.355
41 HZ3 TRP 5 HZ3 TRP 5 -2.642 7.723 -18.810
42 HH2 TRP 5 HH2 TRP 5 -2.667 10.151 -19.063
43 H LEU 6 H LEU 6 -2.233 8.618 -11.939
44 HA LEU 6 HA LEU 6 -4.476 8.737 -11.583
45 HB2 LEU 6 HB2 LEU 6 -4.761 6.450 -13.506
46 HB3 LEU 6 HB3 LEU 6 -5.894 7.763 -13.191
47 HG LEU 6 HG LEU 6 -3.308 7.886 -14.729
48 HD11 LEU 6 HD11 LEU 6 -6.166 8.463 -15.495
49 HD12 LEU 6 HD12 LEU 6 -5.239 7.033 -15.950
50 HD13 LEU 6 HD13 LEU 6 -4.758 8.622 -16.546
51 HD21 LEU 6 HD21 LEU 6 -5.030 10.088 -13.635
52 HD22 LEU 6 HD22 LEU 6 -4.026 10.316 -15.067
53 HD23 LEU 6 HD23 LEU 6 -3.280 9.894 -13.525
54 H GLY 7 H GLY 7 -2.800 6.792 -10.049
55 HA2 GLY 7 HA2 GLY 7 -4.409 4.500 -9.499
56 HA3 GLY 7 HA3 GLY 7 -3.058 5.077 -8.533
57 H GLY 8 H GLY 8 -4.089 7.685 -8.001
58 HA2 GLY 8 HA2 GLY 8 -5.934 8.729 -6.902
59 HA3 GLY 8 HA3 GLY 8 -6.569 7.135 -6.525
60 H CYS 9 H CYS 9 -4.110 9.509 -5.698
61 HA CYS 9 HA CYS 9 -3.201 8.046 -3.392
62 HB2 CYS 9 HB2 CYS 9 -1.756 9.918 -2.981
63 HB3 CYS 9 HB3 CYS 9 -1.753 9.610 -4.714
64 H SER 10 H SER 10 -2.988 9.813 -1.381
65 HA SER 10 HA SER 10 -5.498 11.121 -0.841
66 HB2 SER 10 HB2 SER 10 -5.394 8.426 -0.235
67 HB3 SER 10 HB3 SER 10 -4.980 9.191 1.298
68 HG SER 10 HG SER 10 -7.374 8.995 0.108
69 H ALA 11 H ALA 11 -5.388 11.373 1.864
70 HA ALA 11 HA ALA 11 -3.227 13.209 2.199
71 HB1 ALA 11 HB1 ALA 11 -5.102 13.931 3.307
72 HB2 ALA 11 HB2 ALA 11 -5.525 12.314 3.872
73 HB3 ALA 11 HB3 ALA 11 -4.198 13.194 4.631
74 H GLY 12 H GLY 12 -3.705 9.872 2.919
75 HA2 GLY 12 HA2 GLY 12 -1.162 9.870 4.425
76 HA3 GLY 12 HA3 GLY 12 -2.509 8.830 4.864
77 H GLN 13 H GLN 13 -1.947 9.357 1.510
78 HA GLN 13 HA GLN 13 -0.878 6.623 1.297
79 HB2 GLN 13 HB2 GLN 13 -2.891 8.132 -0.225
80 HB3 GLN 13 HB3 GLN 13 -1.744 7.245 -1.221
81 HG2 GLN 13 HG2 GLN 13 -2.286 5.214 0.157
82 HG3 GLN 13 HG3 GLN 13 -3.596 6.149 0.874
83 HE21 GLN 13 HE21 GLN 13 -2.350 5.843 -2.433
84 HE22 GLN 13 HE22 GLN 13 -3.861 5.402 -3.145
85 H THR 14 H THR 14 0.299 6.366 -0.947
86 HA THR 14 HA THR 14 2.039 8.673 -1.447
87 HB THR 14 HB THR 14 3.329 5.986 -1.341
88 HG1 THR 14 HG1 THR 14 3.315 5.904 0.790
89 HG21 THR 14 HG21 THR 14 4.107 8.833 -1.268
90 HG22 THR 14 HG22 THR 14 4.937 7.447 -1.978
91 HG23 THR 14 HG23 THR 14 5.052 7.751 -0.245
92 H CYS 15 H CYS 15 3.437 8.299 -3.412
93 HA CYS 15 HA CYS 15 2.011 6.649 -5.394
94 HB2 CYS 15 HB2 CYS 15 3.217 9.395 -5.785
95 HB3 CYS 15 HB3 CYS 15 2.567 8.393 -7.078
96 H CYS 16 H CYS 16 3.229 5.497 -6.834
97 HA CYS 16 HA CYS 16 5.762 4.642 -6.122
98 HB2 CYS 16 HB2 CYS 16 4.426 4.623 -8.835
99 HB3 CYS 16 HB3 CYS 16 5.907 3.747 -8.461
100 H LYS 17 H LYS 17 7.698 4.766 -7.720
101 HA LYS 17 HA LYS 17 8.732 7.369 -7.618
102 HB2 LYS 17 HB2 LYS 17 9.980 5.127 -7.765
103 HB3 LYS 17 HB3 LYS 17 9.739 5.249 -9.503
104 HG2 LYS 17 HG2 LYS 17 11.503 6.568 -9.680
105 HG3 LYS 17 HG3 LYS 17 10.784 7.722 -8.554
106 HD2 LYS 17 HD2 LYS 17 12.075 5.254 -7.482
107 HD3 LYS 17 HD3 LYS 17 13.093 6.589 -8.025
108 HE2 LYS 17 HE2 LYS 17 11.742 8.093 -6.538
109 HE3 LYS 17 HE3 LYS 17 10.964 6.648 -5.893
110 HZ1 LYS 17 HZ1 LYS 17 12.648 6.462 -4.490
111 HZ2 LYS 17 HZ2 LYS 17 13.453 7.772 -5.193
112 HZ3 LYS 17 HZ3 LYS 17 13.702 6.208 -5.788
113 H HIS 18 H HIS 18 9.356 8.783 -9.351
114 HA HIS 18 HA HIS 18 8.974 10.017 -11.224
115 HB2 HIS 18 HB2 HIS 18 7.839 7.506 -12.458
116 HB3 HIS 18 HB3 HIS 18 8.542 8.889 -13.291
117 HD1 HIS 18 HD1 HIS 18 9.512 5.861 -13.510
118 HD2 HIS 18 HD2 HIS 18 11.292 8.870 -11.265
119 HE1 HIS 18 HE1 HIS 18 11.905 5.149 -13.208
120 H LEU 19 H LEU 19 6.833 9.424 -9.158
121 HA LEU 19 HA LEU 19 4.651 10.666 -10.653
122 HB2 LEU 19 HB2 LEU 19 4.298 8.274 -8.853
123 HB3 LEU 19 HB3 LEU 19 2.994 9.204 -9.589
124 HG LEU 19 HG LEU 19 5.016 7.951 -11.379
125 HD11 LEU 19 HD11 LEU 19 3.105 6.020 -11.238
126 HD12 LEU 19 HD12 LEU 19 3.266 6.484 -9.545
127 HD13 LEU 19 HD13 LEU 19 4.680 5.942 -10.448
128 HD21 LEU 19 HD21 LEU 19 2.930 7.626 -12.740
129 HD22 LEU 19 HD22 LEU 19 3.364 9.305 -12.421
130 HD23 LEU 19 HD23 LEU 19 2.066 8.540 -11.504
131 H VAL 20 H VAL 20 3.104 11.769 -9.298
132 HA VAL 20 HA VAL 20 3.974 12.233 -6.534
133 HB VAL 20 HB VAL 20 3.543 14.681 -6.838
134 HG11 VAL 20 HG11 VAL 20 5.710 15.124 -7.998
135 HG12 VAL 20 HG12 VAL 20 5.807 13.918 -6.713
136 HG13 VAL 20 HG13 VAL 20 5.783 13.409 -8.402
137 HG21 VAL 20 HG21 VAL 20 3.446 13.861 -9.733
138 HG22 VAL 20 HG22 VAL 20 2.223 14.734 -8.810
139 HG23 VAL 20 HG23 VAL 20 3.752 15.517 -9.209
140 H CYS 21 H CYS 21 2.348 12.741 -5.096
141 HA CYS 21 HA CYS 21 -0.280 11.909 -5.805
142 HB2 CYS 21 HB2 CYS 21 0.496 11.476 -3.576
143 HB3 CYS 21 HB3 CYS 21 0.838 13.182 -3.304
144 H SER 22 H SER 22 -1.206 13.224 -7.320
145 HA SER 22 HA SER 22 -1.162 16.079 -7.123
146 HB2 SER 22 HB2 SER 22 -1.420 14.605 -9.245
147 HB3 SER 22 HB3 SER 22 -3.126 14.539 -8.803
148 HG SER 22 HG SER 22 -1.809 17.018 -8.917
149 H ARG 23 H ARG 23 -2.143 16.931 -5.378
150 HA ARG 23 HA ARG 23 -4.508 15.875 -4.207
151 HB2 ARG 23 HB2 ARG 23 -3.447 18.677 -3.855
152 HB3 ARG 23 HB3 ARG 23 -4.431 17.749 -2.731
153 HG2 ARG 23 HG2 ARG 23 -2.552 17.168 -1.712
154 HG3 ARG 23 HG3 ARG 23 -2.167 16.190 -3.130
155 HD2 ARG 23 HD2 ARG 23 -0.712 17.739 -3.975
156 HD3 ARG 23 HD3 ARG 23 -1.550 19.095 -3.221
157 HE ARG 23 HE ARG 23 0.597 17.559 -2.108
158 HH11 ARG 23 HH11 ARG 23 -2.193 19.500 -1.356
159 HH12 ARG 23 HH12 ARG 23 -1.616 19.955 0.213
160 HH21 ARG 23 HH21 ARG 23 1.368 18.150 -0.044
161 HH22 ARG 23 HH22 ARG 23 0.410 19.187 0.958
162 H ARG 24 H ARG 24 -3.902 18.030 -6.816
163 HA ARG 24 HA ARG 24 -6.513 19.268 -6.744
164 HB2 ARG 24 HB2 ARG 24 -4.120 19.450 -8.533
165 HB3 ARG 24 HB3 ARG 24 -5.673 20.041 -9.109
166 HG2 ARG 24 HG2 ARG 24 -4.579 20.935 -6.473
167 HG3 ARG 24 HG3 ARG 24 -4.056 21.689 -7.981
168 HD2 ARG 24 HD2 ARG 24 -6.972 21.366 -7.531
169 HD3 ARG 24 HD3 ARG 24 -6.129 22.591 -6.585
170 HE ARG 24 HE ARG 24 -6.810 22.744 -9.336
171 HH11 ARG 24 HH11 ARG 24 -4.349 23.639 -7.042
172 HH12 ARG 24 HH12 ARG 24 -3.814 25.011 -7.954
173 HH21 ARG 24 HH21 ARG 24 -6.114 24.547 -10.546
174 HH22 ARG 24 HH22 ARG 24 -4.819 25.527 -9.947
175 H HIS 25 H HIS 25 -4.820 16.907 -8.786
176 HA HIS 25 HA HIS 25 -7.115 16.419 -10.434
177 HB2 HIS 25 HB2 HIS 25 -4.378 15.234 -10.189
178 HB3 HIS 25 HB3 HIS 25 -5.617 14.352 -11.078
179 HD1 HIS 25 HD1 HIS 25 -6.433 15.381 -13.310
180 HD2 HIS 25 HD2 HIS 25 -3.412 17.536 -11.442
181 HE1 HIS 25 HE1 HIS 25 -5.600 17.007 -15.038
182 H GLY 26 H GLY 26 -5.756 15.027 -7.535
183 HA2 GLY 26 HA2 GLY 26 -6.948 13.733 -5.982
184 HA3 GLY 26 HA3 GLY 26 -8.166 13.421 -7.210
185 H TRP 27 H TRP 27 -4.938 12.970 -8.224
186 HA TRP 27 HA TRP 27 -4.712 10.224 -7.409
187 HB2 TRP 27 HB2 TRP 27 -4.777 9.274 -9.685
188 HB3 TRP 27 HB3 TRP 27 -6.329 9.964 -9.218
189 HD1 TRP 27 HD1 TRP 27 -3.187 11.317 -11.080
190 HE1 TRP 27 HE1 TRP 27 -4.005 12.681 -13.103
191 HE3 TRP 27 HE3 TRP 27 -8.230 10.803 -10.419
192 HZ2 TRP 27 HZ2 TRP 27 -6.464 13.440 -14.264
193 HZ3 TRP 27 HZ3 TRP 27 -9.747 11.879 -12.030
194 HH2 TRP 27 HH2 TRP 27 -8.880 13.171 -13.912
195 H CYS 28 H CYS 28 -2.744 9.194 -8.324
196 HA CYS 28 HA CYS 28 -0.537 10.949 -8.147
197 HB2 CYS 28 HB2 CYS 28 -0.608 8.106 -9.181
198 HB3 CYS 28 HB3 CYS 28 0.827 8.981 -8.657
199 H VAL 29 H VAL 29 0.449 12.132 -9.645
200 HA VAL 29 HA VAL 29 -0.145 11.570 -12.478
201 HB VAL 29 HB VAL 29 0.344 13.982 -12.887
202 HG11 VAL 29 HG11 VAL 29 -1.899 13.813 -12.917
203 HG12 VAL 29 HG12 VAL 29 -1.955 12.913 -11.401
204 HG13 VAL 29 HG13 VAL 29 -1.800 14.670 -11.379
205 HG21 VAL 29 HG21 VAL 29 0.413 14.065 -9.876
206 HG22 VAL 29 HG22 VAL 29 1.693 14.531 -10.995
207 HG23 VAL 29 HG23 VAL 29 0.219 15.493 -10.893
208 H TRP 30 H TRP 30 1.554 12.171 -14.018
209 HA TRP 30 HA TRP 30 4.014 11.000 -13.397
210 HB2 TRP 30 HB2 TRP 30 3.186 12.840 -15.641
211 HB3 TRP 30 HB3 TRP 30 4.787 12.111 -15.549
212 HD1 TRP 30 HD1 TRP 30 1.801 11.564 -17.361
213 HE1 TRP 30 HE1 TRP 30 1.435 9.092 -17.979
214 HE3 TRP 30 HE3 TRP 30 5.097 9.417 -14.097
215 HZ2 TRP 30 HZ2 TRP 30 2.415 6.566 -17.186
216 HZ3 TRP 30 HZ3 TRP 30 5.323 6.967 -14.090
217 HH2 TRP 30 HH2 TRP 30 4.008 5.573 -15.603
218 H ASP 31 H ASP 31 5.613 11.722 -12.172
219 HA ASP 31 HA ASP 31 5.734 14.417 -11.249
220 HB2 ASP 31 HB2 ASP 31 6.488 12.376 -9.963
221 HB3 ASP 31 HB3 ASP 31 7.899 12.324 -11.015
222 H GLY 32 H GLY 32 6.294 16.014 -12.589
223 HA2 GLY 32 HA2 GLY 32 8.487 16.982 -13.432
224 HA3 GLY 32 HA3 GLY 32 8.543 15.546 -14.443
225 H THR 33 H THR 33 5.894 15.379 -15.248
226 HA THR 33 HA THR 33 5.517 17.897 -16.733
227 HB THR 33 HB THR 33 6.425 16.164 -18.220
228 HG1 THR 33 HG1 THR 33 5.118 16.854 -19.748
229 HG21 THR 33 HG21 THR 33 5.388 14.255 -16.901
230 HG22 THR 33 HG22 THR 33 5.320 14.117 -18.658
231 HG23 THR 33 HG23 THR 33 3.888 14.611 -17.756
232 H PHE 34 H PHE 34 4.264 16.599 -14.262
233 HA PHE 34 HA PHE 34 1.662 15.764 -14.790
234 HB2 PHE 34 HB2 PHE 34 1.178 16.658 -12.452
235 HB3 PHE 34 HB3 PHE 34 2.475 15.476 -12.584
236 HD1 PHE 34 HD2 PHE 34 2.011 19.176 -12.721
237 HD2 PHE 34 HD1 PHE 34 4.412 15.904 -11.441
238 HE1 PHE 34 HE2 PHE 34 3.545 20.743 -11.607
239 HE2 PHE 34 HE1 PHE 34 5.950 17.466 -10.323
240 HZ PHE 34 HZ PHE 34 5.519 19.889 -10.406
241 H SER 35 H SER 35 -0.359 16.972 -14.309
242 HA SER 35 HA SER 35 -0.189 19.726 -15.346
243 HB2 SER 35 HB2 SER 35 -2.804 18.791 -15.773
244 HB3 SER 35 HB3 SER 35 -1.552 19.042 -16.990
245 HG SER 35 HG SER 35 -2.306 16.674 -15.672
Start of MODEL 8
1 H1 GLU 1 H GLU 1 0.694 0.512 0.144
2 HA GLU 1 HA GLU 1 3.383 0.003 -0.797
3 HB2 GLU 1 HB2 GLU 1 2.659 -1.125 -2.860
4 HB3 GLU 1 HB3 GLU 1 2.277 -2.071 -1.428
5 HG2 GLU 1 HG2 GLU 1 -0.004 -0.608 -1.783
6 HG3 GLU 1 HG3 GLU 1 0.514 -0.916 -3.440
7 H CYS 2 H CYS 2 3.808 1.068 -2.887
8 HA CYS 2 HA CYS 2 2.571 3.657 -2.946
9 HB2 CYS 2 HB2 CYS 2 4.229 4.237 -4.567
10 HB3 CYS 2 HB3 CYS 2 5.018 3.218 -3.367
11 H ARG 3 H ARG 3 1.429 4.600 -4.663
12 HA ARG 3 HA ARG 3 -0.066 2.666 -6.273
13 HB2 ARG 3 HB2 ARG 3 -0.623 5.601 -5.807
14 HB3 ARG 3 HB3 ARG 3 -1.689 4.451 -6.603
15 HG2 ARG 3 HG2 ARG 3 -1.032 3.421 -4.040
16 HG3 ARG 3 HG3 ARG 3 -1.531 5.103 -3.857
17 HD2 ARG 3 HD2 ARG 3 -3.490 3.766 -3.682
18 HD3 ARG 3 HD3 ARG 3 -3.540 4.561 -5.255
19 HE ARG 3 HE ARG 3 -2.345 1.983 -5.421
20 HH11 ARG 3 HH11 ARG 3 -5.405 3.626 -5.184
21 HH12 ARG 3 HH12 ARG 3 -6.294 2.358 -5.960
22 HH21 ARG 3 HH21 ARG 3 -3.504 0.306 -6.444
23 HH22 ARG 3 HH22 ARG 3 -5.212 0.469 -6.675
24 H TYR 4 H TYR 4 -0.543 3.159 -8.518
25 HA TYR 4 HA TYR 4 1.764 4.402 -9.835
26 HB2 TYR 4 HB2 TYR 4 1.022 3.151 -11.841
27 HB3 TYR 4 HB3 TYR 4 1.348 2.096 -10.471
28 HD1 TYR 4 HD1 TYR 4 -0.470 0.939 -9.329
29 HD2 TYR 4 HD2 TYR 4 -1.229 3.438 -12.688
30 HE1 TYR 4 HE1 TYR 4 -2.715 -0.044 -9.546
31 HE2 TYR 4 HE2 TYR 4 -3.476 2.463 -12.913
32 HH TYR 4 HH TYR 4 -5.148 1.283 -11.221
33 H TRP 5 H TRP 5 0.855 5.020 -12.276
34 HA TRP 5 HA TRP 5 -0.251 7.529 -12.032
35 HB2 TRP 5 HB2 TRP 5 0.868 6.408 -14.070
36 HB3 TRP 5 HB3 TRP 5 -0.749 5.833 -14.469
37 HD1 TRP 5 HD1 TRP 5 0.381 9.352 -13.268
38 HE1 TRP 5 HE1 TRP 5 -0.478 11.078 -14.972
39 HE3 TRP 5 HE3 TRP 5 -1.746 6.163 -16.650
40 HZ2 TRP 5 HZ2 TRP 5 -1.873 11.087 -17.426
41 HZ3 TRP 5 HZ3 TRP 5 -2.823 7.112 -18.649
42 HH2 TRP 5 HH2 TRP 5 -2.885 9.523 -19.027
43 H LEU 6 H LEU 6 -2.254 8.371 -11.887
44 HA LEU 6 HA LEU 6 -4.490 8.487 -11.487
45 HB2 LEU 6 HB2 LEU 6 -4.792 6.104 -13.287
46 HB3 LEU 6 HB3 LEU 6 -5.927 7.426 -13.021
47 HG LEU 6 HG LEU 6 -3.371 7.477 -14.613
48 HD11 LEU 6 HD11 LEU 6 -4.862 8.131 -16.430
49 HD12 LEU 6 HD12 LEU 6 -6.246 8.019 -15.343
50 HD13 LEU 6 HD13 LEU 6 -5.327 6.570 -15.752
51 HD21 LEU 6 HD21 LEU 6 -3.297 9.543 -13.534
52 HD22 LEU 6 HD22 LEU 6 -5.052 9.726 -13.559
53 HD23 LEU 6 HD23 LEU 6 -4.126 9.892 -15.052
54 H GLY 7 H GLY 7 -2.769 6.631 -9.892
55 HA2 GLY 7 HA2 GLY 7 -4.349 4.358 -9.199
56 HA3 GLY 7 HA3 GLY 7 -2.986 4.992 -8.288
57 H GLY 8 H GLY 8 -4.047 7.622 -7.886
58 HA2 GLY 8 HA2 GLY 8 -5.869 8.705 -6.797
59 HA3 GLY 8 HA3 GLY 8 -6.492 7.127 -6.337
60 H CYS 9 H CYS 9 -4.031 9.547 -5.658
61 HA CYS 9 HA CYS 9 -3.087 8.196 -3.297
62 HB2 CYS 9 HB2 CYS 9 -1.633 10.082 -3.001
63 HB3 CYS 9 HB3 CYS 9 -1.656 9.689 -4.717
64 H SER 10 H SER 10 -2.843 10.062 -1.381
65 HA SER 10 HA SER 10 -5.344 11.400 -0.872
66 HB2 SER 10 HB2 SER 10 -5.123 8.718 -0.067
67 HB3 SER 10 HB3 SER 10 -4.882 9.669 1.399
68 HG SER 10 HG SER 10 -7.102 9.637 -0.344
69 H ALA 11 H ALA 11 -5.195 11.789 1.815
70 HA ALA 11 HA ALA 11 -3.026 13.636 2.024
71 HB1 ALA 11 HB1 ALA 11 -4.026 13.562 4.530
72 HB2 ALA 11 HB2 ALA 11 -4.727 14.507 3.216
73 HB3 ALA 11 HB3 ALA 11 -5.396 12.926 3.619
74 H GLY 12 H GLY 12 -3.492 10.340 2.909
75 HA2 GLY 12 HA2 GLY 12 -0.933 10.411 4.388
76 HA3 GLY 12 HA3 GLY 12 -2.274 9.391 4.888
77 H GLN 13 H GLN 13 -1.757 9.758 1.508
78 HA GLN 13 HA GLN 13 -0.673 7.024 1.411
79 HB2 GLN 13 HB2 GLN 13 -2.719 8.443 -0.152
80 HB3 GLN 13 HB3 GLN 13 -1.583 7.513 -1.120
81 HG2 GLN 13 HG2 GLN 13 -2.090 5.552 0.372
82 HG3 GLN 13 HG3 GLN 13 -3.399 6.516 1.053
83 HE21 GLN 13 HE21 GLN 13 -2.188 6.042 -2.247
84 HE22 GLN 13 HE22 GLN 13 -3.703 5.554 -2.917
85 H THR 14 H THR 14 0.480 6.659 -0.825
86 HA THR 14 HA THR 14 2.191 8.953 -1.470
87 HB THR 14 HB THR 14 3.506 6.285 -1.253
88 HG1 THR 14 HG1 THR 14 2.720 6.316 0.780
89 HG21 THR 14 HG21 THR 14 5.227 8.113 -0.263
90 HG22 THR 14 HG22 THR 14 4.258 9.138 -1.322
91 HG23 THR 14 HG23 THR 14 5.091 7.730 -1.978
92 H CYS 15 H CYS 15 3.567 8.485 -3.433
93 HA CYS 15 HA CYS 15 2.124 6.729 -5.308
94 HB2 CYS 15 HB2 CYS 15 3.291 9.467 -5.848
95 HB3 CYS 15 HB3 CYS 15 2.646 8.394 -7.086
96 H CYS 16 H CYS 16 3.332 5.522 -6.714
97 HA CYS 16 HA CYS 16 5.886 4.728 -5.998
98 HB2 CYS 16 HB2 CYS 16 4.513 4.555 -8.687
99 HB3 CYS 16 HB3 CYS 16 6.002 3.708 -8.282
100 H LYS 17 H LYS 17 7.783 4.782 -7.662
101 HA LYS 17 HA LYS 17 8.799 7.396 -7.701
102 HB2 LYS 17 HB2 LYS 17 10.042 5.130 -7.789
103 HB3 LYS 17 HB3 LYS 17 9.795 5.226 -9.528
104 HG2 LYS 17 HG2 LYS 17 11.537 6.570 -9.741
105 HG3 LYS 17 HG3 LYS 17 10.844 7.711 -8.586
106 HD2 LYS 17 HD2 LYS 17 11.713 6.056 -6.795
107 HD3 LYS 17 HD3 LYS 17 12.730 5.434 -8.097
108 HE2 LYS 17 HE2 LYS 17 12.662 8.246 -7.015
109 HE3 LYS 17 HE3 LYS 17 13.973 7.078 -6.865
110 HZ1 LYS 17 HZ1 LYS 17 14.037 7.123 -9.381
111 HZ2 LYS 17 HZ2 LYS 17 14.607 8.503 -8.586
112 HZ3 LYS 17 HZ3 LYS 17 13.069 8.508 -9.291
113 H HIS 18 H HIS 18 9.406 8.704 -9.538
114 HA HIS 18 HA HIS 18 8.961 9.852 -11.451
115 HB2 HIS 18 HB2 HIS 18 8.565 7.026 -12.191
116 HB3 HIS 18 HB3 HIS 18 7.772 8.187 -13.252
117 HD1 HIS 18 HD1 HIS 18 9.210 8.518 -15.227
118 HD2 HIS 18 HD2 HIS 18 11.439 8.236 -11.732
119 HE1 HIS 18 HE1 HIS 18 11.600 8.876 -15.923
120 H LEU 19 H LEU 19 6.871 9.351 -9.310
121 HA LEU 19 HA LEU 19 4.646 10.502 -10.818
122 HB2 LEU 19 HB2 LEU 19 4.352 8.210 -8.882
123 HB3 LEU 19 HB3 LEU 19 3.025 9.091 -9.636
124 HG LEU 19 HG LEU 19 5.015 7.749 -11.400
125 HD11 LEU 19 HD11 LEU 19 3.020 5.867 -11.045
126 HD12 LEU 19 HD12 LEU 19 3.423 6.377 -9.405
127 HD13 LEU 19 HD13 LEU 19 4.684 5.756 -10.470
128 HD21 LEU 19 HD21 LEU 19 3.354 9.021 -12.502
129 HD22 LEU 19 HD22 LEU 19 2.069 8.358 -11.491
130 HD23 LEU 19 HD23 LEU 19 2.877 7.332 -12.678
131 H VAL 20 H VAL 20 3.110 11.650 -9.475
132 HA VAL 20 HA VAL 20 4.038 12.269 -6.764
133 HB VAL 20 HB VAL 20 3.599 14.699 -7.189
134 HG11 VAL 20 HG11 VAL 20 5.745 14.816 -8.798
135 HG12 VAL 20 HG12 VAL 20 5.841 14.420 -7.081
136 HG13 VAL 20 HG13 VAL 20 5.848 13.132 -8.286
137 HG21 VAL 20 HG21 VAL 20 3.777 15.409 -9.601
138 HG22 VAL 20 HG22 VAL 20 3.466 13.728 -10.037
139 HG23 VAL 20 HG23 VAL 20 2.254 14.646 -9.144
140 H CYS 21 H CYS 21 2.438 12.783 -5.320
141 HA CYS 21 HA CYS 21 -0.201 11.945 -5.947
142 HB2 CYS 21 HB2 CYS 21 0.615 11.613 -3.714
143 HB3 CYS 21 HB3 CYS 21 0.959 13.329 -3.526
144 H SER 22 H SER 22 -1.163 13.188 -7.498
145 HA SER 22 HA SER 22 -1.107 16.045 -7.455
146 HB2 SER 22 HB2 SER 22 -1.445 14.471 -9.484
147 HB3 SER 22 HB3 SER 22 -3.132 14.414 -8.973
148 HG SER 22 HG SER 22 -1.651 16.753 -9.609
149 H ARG 23 H ARG 23 -1.968 16.895 -5.619
150 HA ARG 23 HA ARG 23 -4.292 15.959 -4.327
151 HB2 ARG 23 HB2 ARG 23 -2.885 18.628 -4.240
152 HB3 ARG 23 HB3 ARG 23 -4.256 18.229 -3.214
153 HG2 ARG 23 HG2 ARG 23 -2.705 16.131 -2.663
154 HG3 ARG 23 HG3 ARG 23 -1.455 17.302 -3.087
155 HD2 ARG 23 HD2 ARG 23 -1.713 17.615 -0.800
156 HD3 ARG 23 HD3 ARG 23 -2.717 18.888 -1.493
157 HE ARG 23 HE ARG 23 -4.152 16.460 -0.942
158 HH11 ARG 23 HH11 ARG 23 -3.009 19.471 0.380
159 HH12 ARG 23 HH12 ARG 23 -4.211 19.531 1.627
160 HH21 ARG 23 HH21 ARG 23 -5.739 16.527 0.695
161 HH22 ARG 23 HH22 ARG 23 -5.762 17.855 1.805
162 H ARG 24 H ARG 24 -3.836 17.908 -7.114
163 HA ARG 24 HA ARG 24 -6.463 19.126 -6.995
164 HB2 ARG 24 HB2 ARG 24 -4.173 19.231 -8.934
165 HB3 ARG 24 HB3 ARG 24 -5.758 19.838 -9.393
166 HG2 ARG 24 HG2 ARG 24 -4.358 20.769 -6.909
167 HG3 ARG 24 HG3 ARG 24 -4.084 21.516 -8.484
168 HD2 ARG 24 HD2 ARG 24 -6.776 21.500 -8.429
169 HD3 ARG 24 HD3 ARG 24 -6.434 21.634 -6.704
170 HE ARG 24 HE ARG 24 -6.106 23.664 -8.677
171 HH11 ARG 24 HH11 ARG 24 -4.814 22.434 -5.687
172 HH12 ARG 24 HH12 ARG 24 -4.166 23.961 -5.187
173 HH21 ARG 24 HH21 ARG 24 -5.258 25.680 -8.029
174 HH22 ARG 24 HH22 ARG 24 -4.420 25.807 -6.520
175 H HIS 25 H HIS 25 -4.793 16.884 -9.210
176 HA HIS 25 HA HIS 25 -7.113 16.215 -10.679
177 HB2 HIS 25 HB2 HIS 25 -4.378 15.024 -10.405
178 HB3 HIS 25 HB3 HIS 25 -5.632 14.129 -11.258
179 HD1 HIS 25 HD1 HIS 25 -6.367 15.015 -13.553
180 HD2 HIS 25 HD2 HIS 25 -3.466 17.347 -11.708
181 HE1 HIS 25 HE1 HIS 25 -5.542 16.590 -15.330
182 H GLY 26 H GLY 26 -5.708 14.970 -7.735
183 HA2 GLY 26 HA2 GLY 26 -6.875 13.755 -6.101
184 HA3 GLY 26 HA3 GLY 26 -8.112 13.383 -7.292
185 H TRP 27 H TRP 27 -4.903 12.880 -8.339
186 HA TRP 27 HA TRP 27 -4.662 10.178 -7.391
187 HB2 TRP 27 HB2 TRP 27 -4.767 9.116 -9.616
188 HB3 TRP 27 HB3 TRP 27 -6.311 9.828 -9.155
189 HD1 TRP 27 HD1 TRP 27 -3.203 11.081 -11.142
190 HE1 TRP 27 HE1 TRP 27 -4.059 12.345 -13.215
191 HE3 TRP 27 HE3 TRP 27 -8.233 10.613 -10.359
192 HZ2 TRP 27 HZ2 TRP 27 -6.538 13.051 -14.365
193 HZ3 TRP 27 HZ3 TRP 27 -9.779 11.612 -11.992
194 HH2 TRP 27 HH2 TRP 27 -8.947 12.806 -13.952
195 H CYS 28 H CYS 28 -2.708 9.105 -8.277
196 HA CYS 28 HA CYS 28 -0.498 10.861 -8.227
197 HB2 CYS 28 HB2 CYS 28 -0.599 7.973 -9.124
198 HB3 CYS 28 HB3 CYS 28 0.853 8.866 -8.687
199 H VAL 29 H VAL 29 0.446 11.986 -9.793
200 HA VAL 29 HA VAL 29 -0.186 11.290 -12.588
201 HB VAL 29 HB VAL 29 0.278 13.685 -13.113
202 HG11 VAL 29 HG11 VAL 29 -1.970 13.402 -13.098
203 HG12 VAL 29 HG12 VAL 29 -1.985 12.720 -11.470
204 HG13 VAL 29 HG13 VAL 29 -1.851 14.465 -11.696
205 HG21 VAL 29 HG21 VAL 29 1.647 14.331 -11.268
206 HG22 VAL 29 HG22 VAL 29 0.165 15.284 -11.187
207 HG23 VAL 29 HG23 VAL 29 0.386 13.906 -10.110
208 H TRP 30 H TRP 30 1.484 11.836 -14.179
209 HA TRP 30 HA TRP 30 3.962 10.710 -13.547
210 HB2 TRP 30 HB2 TRP 30 3.097 12.454 -15.855
211 HB3 TRP 30 HB3 TRP 30 4.696 11.721 -15.756
212 HD1 TRP 30 HD1 TRP 30 1.683 11.115 -17.502
213 HE1 TRP 30 HE1 TRP 30 1.295 8.621 -18.007
214 HE3 TRP 30 HE3 TRP 30 5.010 9.088 -14.191
215 HZ2 TRP 30 HZ2 TRP 30 2.270 6.125 -17.120
216 HZ3 TRP 30 HZ3 TRP 30 5.221 6.639 -14.081
217 HH2 TRP 30 HH2 TRP 30 3.878 5.190 -15.516
218 H ASP 31 H ASP 31 5.539 11.500 -12.335
219 HA ASP 31 HA ASP 31 5.666 14.249 -11.581
220 HB2 ASP 31 HB2 ASP 31 6.369 12.415 -10.079
221 HB3 ASP 31 HB3 ASP 31 7.708 12.056 -11.166
222 H GLY 32 H GLY 32 6.573 15.864 -12.662
223 HA2 GLY 32 HA2 GLY 32 8.568 16.801 -13.674
224 HA3 GLY 32 HA3 GLY 32 8.828 15.253 -14.464
225 H THR 33 H THR 33 5.785 15.261 -14.952
226 HA THR 33 HA THR 33 5.896 16.986 -17.339
227 HB THR 33 HB THR 33 4.510 15.451 -18.511
228 HG1 THR 33 HG1 THR 33 4.041 14.400 -15.941
229 HG21 THR 33 HG21 THR 33 6.970 14.833 -18.071
230 HG22 THR 33 HG22 THR 33 5.901 13.575 -18.691
231 HG23 THR 33 HG23 THR 33 6.323 13.609 -16.979
232 H PHE 34 H PHE 34 3.908 15.873 -14.660
233 HA PHE 34 HA PHE 34 1.475 17.015 -15.280
234 HB2 PHE 34 HB2 PHE 34 0.947 16.906 -12.963
235 HB3 PHE 34 HB3 PHE 34 2.045 15.567 -13.278
236 HD1 PHE 34 HD2 PHE 34 4.568 16.050 -12.836
237 HD2 PHE 34 HD1 PHE 34 1.363 18.318 -11.193
238 HE1 PHE 34 HE2 PHE 34 6.055 16.848 -11.046
239 HE2 PHE 34 HE1 PHE 34 2.845 19.120 -9.400
240 HZ PHE 34 HZ PHE 34 5.194 18.384 -9.324
241 H SER 35 H SER 35 0.474 18.962 -14.229
242 HA SER 35 HA SER 35 2.205 21.260 -14.711
243 HB2 SER 35 HB2 SER 35 -0.469 20.710 -15.311
244 HB3 SER 35 HB3 SER 35 -0.539 21.913 -14.023
245 HG SER 35 HG SER 35 1.068 23.084 -15.359
Start of MODEL 9
1 H1 GLU 1 H GLU 1 1.642 0.287 0.868
2 HA GLU 1 HA GLU 1 3.303 0.121 -0.723
3 HB2 GLU 1 HB2 GLU 1 1.153 -1.451 -2.051
4 HB3 GLU 1 HB3 GLU 1 2.431 -0.803 -3.068
5 HG2 GLU 1 HG2 GLU 1 2.825 -3.123 -2.294
6 HG3 GLU 1 HG3 GLU 1 4.103 -1.991 -1.856
7 H CYS 2 H CYS 2 3.765 1.112 -2.939
8 HA CYS 2 HA CYS 2 2.547 3.710 -2.997
9 HB2 CYS 2 HB2 CYS 2 4.199 4.272 -4.630
10 HB3 CYS 2 HB3 CYS 2 4.988 3.252 -3.432
11 H ARG 3 H ARG 3 1.419 4.661 -4.727
12 HA ARG 3 HA ARG 3 -0.108 2.733 -6.316
13 HB2 ARG 3 HB2 ARG 3 -0.636 5.674 -5.856
14 HB3 ARG 3 HB3 ARG 3 -1.715 4.533 -6.645
15 HG2 ARG 3 HG2 ARG 3 -1.060 3.500 -4.084
16 HG3 ARG 3 HG3 ARG 3 -1.538 5.189 -3.900
17 HD2 ARG 3 HD2 ARG 3 -3.509 3.865 -3.714
18 HD3 ARG 3 HD3 ARG 3 -3.562 4.673 -5.280
19 HE ARG 3 HE ARG 3 -2.436 2.286 -5.861
20 HH11 ARG 3 HH11 ARG 3 -5.328 3.210 -4.156
21 HH12 ARG 3 HH12 ARG 3 -6.200 1.780 -4.595
22 HH21 ARG 3 HH21 ARG 3 -3.575 0.399 -6.446
23 HH22 ARG 3 HH22 ARG 3 -5.202 0.180 -5.897
24 H TYR 4 H TYR 4 -0.586 3.214 -8.561
25 HA TYR 4 HA TYR 4 1.726 4.428 -9.893
26 HB2 TYR 4 HB2 TYR 4 0.950 3.186 -11.893
27 HB3 TYR 4 HB3 TYR 4 1.272 2.128 -10.524
28 HD1 TYR 4 HD2 TYR 4 -0.550 0.993 -9.372
29 HD2 TYR 4 HD1 TYR 4 -1.307 3.512 -12.716
30 HE1 TYR 4 HE2 TYR 4 -2.809 0.041 -9.571
31 HE2 TYR 4 HE1 TYR 4 -3.568 2.568 -12.924
32 HH TYR 4 HH TYR 4 -4.892 0.799 -12.280
33 H TRP 5 H TRP 5 0.811 5.057 -12.330
34 HA TRP 5 HA TRP 5 -0.255 7.582 -12.084
35 HB2 TRP 5 HB2 TRP 5 0.832 6.438 -14.128
36 HB3 TRP 5 HB3 TRP 5 -0.798 5.891 -14.514
37 HD1 TRP 5 HD1 TRP 5 0.396 9.391 -13.324
38 HE1 TRP 5 HE1 TRP 5 -0.442 11.129 -15.026
39 HE3 TRP 5 HE3 TRP 5 -1.796 6.234 -16.694
40 HZ2 TRP 5 HZ2 TRP 5 -1.848 11.158 -17.474
41 HZ3 TRP 5 HZ3 TRP 5 -2.866 7.197 -18.689
42 HH2 TRP 5 HH2 TRP 5 -2.891 9.609 -19.069
43 H LEU 6 H LEU 6 -2.244 8.455 -11.925
44 HA LEU 6 HA LEU 6 -4.475 8.605 -11.508
45 HB2 LEU 6 HB2 LEU 6 -4.829 6.229 -13.307
46 HB3 LEU 6 HB3 LEU 6 -5.938 7.572 -13.034
47 HG LEU 6 HG LEU 6 -3.389 7.579 -14.638
48 HD11 LEU 6 HD11 LEU 6 -5.357 6.701 -15.773
49 HD12 LEU 6 HD12 LEU 6 -4.881 8.257 -16.450
50 HD13 LEU 6 HD13 LEU 6 -6.260 8.157 -15.356
51 HD21 LEU 6 HD21 LEU 6 -5.065 9.870 -13.650
52 HD22 LEU 6 HD22 LEU 6 -4.036 9.995 -15.076
53 HD23 LEU 6 HD23 LEU 6 -3.323 9.640 -13.502
54 H GLY 7 H GLY 7 -2.774 6.724 -9.923
55 HA2 GLY 7 HA2 GLY 7 -4.376 4.470 -9.224
56 HA3 GLY 7 HA3 GLY 7 -3.006 5.092 -8.315
57 H GLY 8 H GLY 8 -3.994 7.713 -7.860
58 HA2 GLY 8 HA2 GLY 8 -5.831 8.816 -6.791
59 HA3 GLY 8 HA3 GLY 8 -6.454 7.243 -6.318
60 H CYS 9 H CYS 9 -3.981 9.658 -5.670
61 HA CYS 9 HA CYS 9 -3.016 8.317 -3.315
62 HB2 CYS 9 HB2 CYS 9 -1.554 10.190 -3.042
63 HB3 CYS 9 HB3 CYS 9 -1.620 9.832 -4.765
64 H SER 10 H SER 10 -2.766 10.169 -1.394
65 HA SER 10 HA SER 10 -5.262 11.507 -0.864
66 HB2 SER 10 HB2 SER 10 -5.215 8.860 -0.170
67 HB3 SER 10 HB3 SER 10 -4.660 9.625 1.319
68 HG SER 10 HG SER 10 -7.040 9.354 0.927
69 H ALA 11 H ALA 11 -5.097 11.881 1.824
70 HA ALA 11 HA ALA 11 -2.928 13.728 2.031
71 HB1 ALA 11 HB1 ALA 11 -4.713 14.542 3.181
72 HB2 ALA 11 HB2 ALA 11 -5.233 12.947 3.726
73 HB3 ALA 11 HB3 ALA 11 -3.871 13.745 4.511
74 H GLY 12 H GLY 12 -3.384 10.425 2.897
75 HA2 GLY 12 HA2 GLY 12 -0.810 10.487 4.347
76 HA3 GLY 12 HA3 GLY 12 -2.148 9.474 4.868
77 H GLN 13 H GLN 13 -1.671 9.838 1.480
78 HA GLN 13 HA GLN 13 -0.609 7.095 1.371
79 HB2 GLN 13 HB2 GLN 13 -2.660 8.532 -0.169
80 HB3 GLN 13 HB3 GLN 13 -1.541 7.594 -1.150
81 HG2 GLN 13 HG2 GLN 13 -2.048 5.636 0.348
82 HG3 GLN 13 HG3 GLN 13 -3.345 6.610 1.040
83 HE21 GLN 13 HE21 GLN 13 -2.163 6.124 -2.270
84 HE22 GLN 13 HE22 GLN 13 -3.688 5.647 -2.927
85 H THR 14 H THR 14 0.526 6.717 -0.866
86 HA THR 14 HA THR 14 2.245 8.999 -1.534
87 HB THR 14 HB THR 14 3.545 6.324 -1.327
88 HG1 THR 14 HG1 THR 14 2.933 6.292 0.725
89 HG21 THR 14 HG21 THR 14 5.284 8.142 -0.348
90 HG22 THR 14 HG22 THR 14 4.312 9.174 -1.398
91 HG23 THR 14 HG23 THR 14 5.132 7.761 -2.063
92 H CYS 15 H CYS 15 3.603 8.515 -3.508
93 HA CYS 15 HA CYS 15 2.129 6.767 -5.367
94 HB2 CYS 15 HB2 CYS 15 3.327 9.484 -5.944
95 HB3 CYS 15 HB3 CYS 15 2.618 8.418 -7.152
96 H CYS 16 H CYS 16 3.316 5.550 -6.782
97 HA CYS 16 HA CYS 16 5.873 4.744 -6.086
98 HB2 CYS 16 HB2 CYS 16 4.479 4.562 -8.764
99 HB3 CYS 16 HB3 CYS 16 5.958 3.699 -8.356
100 H LYS 17 H LYS 17 7.745 4.773 -7.787
101 HA LYS 17 HA LYS 17 8.781 7.379 -7.849
102 HB2 LYS 17 HB2 LYS 17 9.992 5.085 -7.962
103 HB3 LYS 17 HB3 LYS 17 9.741 5.216 -9.698
104 HG2 LYS 17 HG2 LYS 17 11.238 6.911 -9.931
105 HG3 LYS 17 HG3 LYS 17 10.954 7.535 -8.304
106 HD2 LYS 17 HD2 LYS 17 12.389 4.949 -8.889
107 HD3 LYS 17 HD3 LYS 17 13.205 6.494 -8.645
108 HE2 LYS 17 HE2 LYS 17 13.097 6.239 -6.442
109 HE3 LYS 17 HE3 LYS 17 11.344 6.069 -6.520
110 HZ1 LYS 17 HZ1 LYS 17 11.600 3.720 -6.920
111 HZ2 LYS 17 HZ2 LYS 17 12.426 4.141 -5.505
112 HZ3 LYS 17 HZ3 LYS 17 13.286 3.860 -6.935
113 H HIS 18 H HIS 18 9.373 8.675 -9.701
114 HA HIS 18 HA HIS 18 8.907 9.820 -11.611
115 HB2 HIS 18 HB2 HIS 18 8.470 6.995 -12.334
116 HB3 HIS 18 HB3 HIS 18 7.673 8.161 -13.386
117 HD1 HIS 18 HD1 HIS 18 9.085 8.451 -15.388
118 HD2 HIS 18 HD2 HIS 18 11.362 8.198 -11.922
119 HE1 HIS 18 HE1 HIS 18 11.467 8.787 -16.122
120 H LEU 19 H LEU 19 6.850 9.354 -9.434
121 HA LEU 19 HA LEU 19 4.610 10.517 -10.909
122 HB2 LEU 19 HB2 LEU 19 4.330 8.233 -8.962
123 HB3 LEU 19 HB3 LEU 19 2.997 9.127 -9.690
124 HG LEU 19 HG LEU 19 4.927 7.783 -11.509
125 HD11 LEU 19 HD11 LEU 19 4.577 5.732 -10.752
126 HD12 LEU 19 HD12 LEU 19 2.838 5.955 -10.933
127 HD13 LEU 19 HD13 LEU 19 3.627 6.378 -9.414
128 HD21 LEU 19 HD21 LEU 19 1.974 8.359 -11.489
129 HD22 LEU 19 HD22 LEU 19 2.747 7.343 -12.706
130 HD23 LEU 19 HD23 LEU 19 3.211 9.038 -12.547
131 H VAL 20 H VAL 20 3.076 11.643 -9.516
132 HA VAL 20 HA VAL 20 4.063 12.273 -6.832
133 HB VAL 20 HB VAL 20 3.569 14.722 -7.302
134 HG11 VAL 20 HG11 VAL 20 5.783 15.158 -7.922
135 HG12 VAL 20 HG12 VAL 20 5.854 13.571 -7.152
136 HG13 VAL 20 HG13 VAL 20 5.888 13.702 -8.911
137 HG21 VAL 20 HG21 VAL 20 4.253 14.531 -10.100
138 HG22 VAL 20 HG22 VAL 20 2.733 13.705 -9.758
139 HG23 VAL 20 HG23 VAL 20 2.931 15.403 -9.323
140 H CYS 21 H CYS 21 2.488 12.839 -5.371
141 HA CYS 21 HA CYS 21 -0.169 12.019 -5.957
142 HB2 CYS 21 HB2 CYS 21 0.669 11.691 -3.733
143 HB3 CYS 21 HB3 CYS 21 1.041 13.404 -3.561
144 H SER 22 H SER 22 -1.114 13.269 -7.519
145 HA SER 22 HA SER 22 -1.036 16.125 -7.480
146 HB2 SER 22 HB2 SER 22 -1.394 14.549 -9.505
147 HB3 SER 22 HB3 SER 22 -3.080 14.510 -8.989
148 HG SER 22 HG SER 22 -2.703 16.968 -8.982
149 H ARG 23 H ARG 23 -1.885 16.989 -5.646
150 HA ARG 23 HA ARG 23 -4.215 16.074 -4.347
151 HB2 ARG 23 HB2 ARG 23 -2.734 18.698 -4.257
152 HB3 ARG 23 HB3 ARG 23 -4.154 18.383 -3.270
153 HG2 ARG 23 HG2 ARG 23 -2.620 16.197 -2.737
154 HG3 ARG 23 HG3 ARG 23 -1.402 17.455 -2.958
155 HD2 ARG 23 HD2 ARG 23 -1.852 17.682 -0.719
156 HD3 ARG 23 HD3 ARG 23 -2.993 18.838 -1.404
157 HE ARG 23 HE ARG 23 -4.264 16.354 -1.205
158 HH11 ARG 23 HH11 ARG 23 -2.979 18.850 0.854
159 HH12 ARG 23 HH12 ARG 23 -4.082 18.529 2.151
160 HH21 ARG 23 HH21 ARG 23 -5.722 15.922 0.496
161 HH22 ARG 23 HH22 ARG 23 -5.641 16.862 1.947
162 H ARG 24 H ARG 24 -3.747 18.012 -7.137
163 HA ARG 24 HA ARG 24 -6.360 19.259 -7.011
164 HB2 ARG 24 HB2 ARG 24 -4.103 19.321 -9.000
165 HB3 ARG 24 HB3 ARG 24 -5.676 20.009 -9.379
166 HG2 ARG 24 HG2 ARG 24 -4.936 21.013 -6.853
167 HG3 ARG 24 HG3 ARG 24 -3.523 21.149 -7.902
168 HD2 ARG 24 HD2 ARG 24 -4.527 23.093 -8.484
169 HD3 ARG 24 HD3 ARG 24 -5.397 22.032 -9.592
170 HE ARG 24 HE ARG 24 -6.879 22.031 -7.286
171 HH11 ARG 24 HH11 ARG 24 -5.734 24.446 -9.518
172 HH12 ARG 24 HH12 ARG 24 -7.073 25.513 -9.253
173 HH21 ARG 24 HH21 ARG 24 -8.647 23.428 -6.929
174 HH22 ARG 24 HH22 ARG 24 -8.729 24.933 -7.780
175 H HIS 25 H HIS 25 -4.715 16.992 -9.220
176 HA HIS 25 HA HIS 25 -7.047 16.349 -10.688
177 HB2 HIS 25 HB2 HIS 25 -4.323 15.126 -10.420
178 HB3 HIS 25 HB3 HIS 25 -5.590 14.255 -11.281
179 HD1 HIS 25 HD1 HIS 25 -6.270 15.129 -13.584
180 HD2 HIS 25 HD2 HIS 25 -3.418 17.483 -11.691
181 HE1 HIS 25 HE1 HIS 25 -5.431 16.715 -15.346
182 H GLY 26 H GLY 26 -5.643 15.090 -7.748
183 HA2 GLY 26 HA2 GLY 26 -6.815 13.885 -6.111
184 HA3 GLY 26 HA3 GLY 26 -8.059 13.524 -7.299
185 H TRP 27 H TRP 27 -4.859 12.994 -8.356
186 HA TRP 27 HA TRP 27 -4.636 10.290 -7.410
187 HB2 TRP 27 HB2 TRP 27 -4.759 9.229 -9.635
188 HB3 TRP 27 HB3 TRP 27 -6.295 9.954 -9.168
189 HD1 TRP 27 HD1 TRP 27 -3.184 11.181 -11.167
190 HE1 TRP 27 HE1 TRP 27 -4.037 12.453 -13.236
191 HE3 TRP 27 HE3 TRP 27 -8.215 10.756 -10.363
192 HZ2 TRP 27 HZ2 TRP 27 -6.515 13.180 -14.376
193 HZ3 TRP 27 HZ3 TRP 27 -9.759 11.769 -11.990
194 HH2 TRP 27 HH2 TRP 27 -8.924 12.955 -13.954
195 H CYS 28 H CYS 28 -2.690 9.207 -8.277
196 HA CYS 28 HA CYS 28 -0.469 10.945 -8.246
197 HB2 CYS 28 HB2 CYS 28 -0.581 8.058 -9.144
198 HB3 CYS 28 HB3 CYS 28 0.869 8.945 -8.685
199 H VAL 29 H VAL 29 0.470 12.064 -9.819
200 HA VAL 29 HA VAL 29 -0.166 11.358 -12.609
201 HB VAL 29 HB VAL 29 0.298 13.747 -13.148
202 HG11 VAL 29 HG11 VAL 29 -1.957 13.390 -13.102
203 HG12 VAL 29 HG12 VAL 29 -1.951 12.853 -11.421
204 HG13 VAL 29 HG13 VAL 29 -1.819 14.571 -11.800
205 HG21 VAL 29 HG21 VAL 29 1.680 14.404 -11.319
206 HG22 VAL 29 HG22 VAL 29 0.199 15.357 -11.227
207 HG23 VAL 29 HG23 VAL 29 0.431 13.982 -10.147
208 H TRP 30 H TRP 30 1.507 11.926 -14.205
209 HA TRP 30 HA TRP 30 3.975 10.774 -13.593
210 HB2 TRP 30 HB2 TRP 30 3.171 12.602 -15.862
211 HB3 TRP 30 HB3 TRP 30 4.723 11.773 -15.780
212 HD1 TRP 30 HD1 TRP 30 1.711 11.389 -17.568
213 HE1 TRP 30 HE1 TRP 30 1.165 8.935 -18.122
214 HE3 TRP 30 HE3 TRP 30 4.839 9.089 -14.241
215 HZ2 TRP 30 HZ2 TRP 30 1.956 6.365 -17.263
216 HZ3 TRP 30 HZ3 TRP 30 4.883 6.630 -14.170
217 HH2 TRP 30 HH2 TRP 30 3.471 5.298 -15.650
218 H ASP 31 H ASP 31 5.763 11.520 -12.656
219 HA ASP 31 HA ASP 31 5.852 14.260 -11.744
220 HB2 ASP 31 HB2 ASP 31 6.551 12.398 -10.275
221 HB3 ASP 31 HB3 ASP 31 7.867 12.031 -11.386
222 H GLY 32 H GLY 32 6.807 15.883 -12.774
223 HA2 GLY 32 HA2 GLY 32 8.883 16.717 -13.784
224 HA3 GLY 32 HA3 GLY 32 8.929 15.234 -14.726
225 H THR 33 H THR 33 5.906 15.526 -15.040
226 HA THR 33 HA THR 33 5.984 17.594 -17.141
227 HB THR 33 HB THR 33 5.938 15.310 -18.090
228 HG1 THR 33 HG1 THR 33 3.392 16.452 -18.547
229 HG21 THR 33 HG21 THR 33 4.138 13.817 -17.750
230 HG22 THR 33 HG22 THR 33 3.178 15.041 -16.919
231 HG23 THR 33 HG23 THR 33 4.607 14.362 -16.140
232 H PHE 34 H PHE 34 4.124 16.028 -14.621
233 HA PHE 34 HA PHE 34 1.623 17.129 -14.993
234 HB2 PHE 34 HB2 PHE 34 1.193 16.679 -12.701
235 HB3 PHE 34 HB3 PHE 34 2.349 15.457 -13.222
236 HD1 PHE 34 HD2 PHE 34 4.869 16.079 -12.823
237 HD2 PHE 34 HD1 PHE 34 1.585 17.816 -10.745
238 HE1 PHE 34 HE2 PHE 34 6.375 16.722 -10.987
239 HE2 PHE 34 HE1 PHE 34 3.087 18.463 -8.906
240 HZ PHE 34 HZ PHE 34 5.485 17.915 -9.025
241 H SER 35 H SER 35 0.596 18.859 -13.607
242 HA SER 35 HA SER 35 2.382 21.120 -13.085
243 HB2 SER 35 HB2 SER 35 -0.139 21.412 -14.731
244 HB3 SER 35 HB3 SER 35 1.052 22.662 -14.372
245 HG SER 35 HG SER 35 1.667 21.993 -16.324
Start of MODEL 10
1 H1 GLU 1 H GLU 1 1.735 -0.526 0.747
2 HA GLU 1 HA GLU 1 3.365 0.110 -0.806
3 HB2 GLU 1 HB2 GLU 1 1.188 -1.514 -1.972
4 HB3 GLU 1 HB3 GLU 1 2.292 -0.783 -3.128
5 HG2 GLU 1 HG2 GLU 1 4.173 -1.861 -2.097
6 HG3 GLU 1 HG3 GLU 1 3.153 -2.485 -0.802
7 H CYS 2 H CYS 2 3.806 1.148 -2.967
8 HA CYS 2 HA CYS 2 2.544 3.725 -3.013
9 HB2 CYS 2 HB2 CYS 2 4.196 4.329 -4.631
10 HB3 CYS 2 HB3 CYS 2 4.995 3.313 -3.435
11 H ARG 3 H ARG 3 1.394 4.666 -4.727
12 HA ARG 3 HA ARG 3 -0.085 2.727 -6.344
13 HB2 ARG 3 HB2 ARG 3 -0.662 5.657 -5.875
14 HB3 ARG 3 HB3 ARG 3 -1.720 4.499 -6.670
15 HG2 ARG 3 HG2 ARG 3 -1.048 3.480 -4.103
16 HG3 ARG 3 HG3 ARG 3 -1.573 5.156 -3.926
17 HD2 ARG 3 HD2 ARG 3 -3.660 4.717 -4.919
18 HD3 ARG 3 HD3 ARG 3 -3.117 3.167 -5.563
19 HE ARG 3 HE ARG 3 -3.003 3.198 -2.725
20 HH11 ARG 3 HH11 ARG 3 -5.205 2.925 -5.407
21 HH12 ARG 3 HH12 ARG 3 -6.375 2.003 -4.522
22 HH21 ARG 3 HH21 ARG 3 -4.535 1.985 -1.549
23 HH22 ARG 3 HH22 ARG 3 -5.993 1.469 -2.327
24 H TYR 4 H TYR 4 -0.561 3.218 -8.589
25 HA TYR 4 HA TYR 4 1.738 4.478 -9.901
26 HB2 TYR 4 HB2 TYR 4 1.003 3.230 -11.910
27 HB3 TYR 4 HB3 TYR 4 1.332 2.172 -10.543
28 HD1 TYR 4 HD2 TYR 4 -0.484 1.005 -9.408
29 HD2 TYR 4 HD1 TYR 4 -1.248 3.513 -12.758
30 HE1 TYR 4 HE2 TYR 4 -2.725 0.015 -9.631
31 HE2 TYR 4 HE1 TYR 4 -3.491 2.531 -12.990
32 HH TYR 4 HH TYR 4 -5.088 1.060 -10.807
33 H TRP 5 H TRP 5 0.824 5.097 -12.342
34 HA TRP 5 HA TRP 5 -0.290 7.601 -12.092
35 HB2 TRP 5 HB2 TRP 5 0.828 6.485 -14.134
36 HB3 TRP 5 HB3 TRP 5 -0.789 5.909 -14.531
37 HD1 TRP 5 HD1 TRP 5 0.332 9.427 -13.320
38 HE1 TRP 5 HE1 TRP 5 -0.529 11.156 -15.021
39 HE3 TRP 5 HE3 TRP 5 -1.779 6.242 -16.717
40 HZ2 TRP 5 HZ2 TRP 5 -1.919 11.168 -17.477
41 HZ3 TRP 5 HZ3 TRP 5 -2.854 7.193 -18.715
42 HH2 TRP 5 HH2 TRP 5 -2.922 9.606 -19.085
43 H LEU 6 H LEU 6 -2.296 8.435 -11.937
44 HA LEU 6 HA LEU 6 -4.531 8.542 -11.530
45 HB2 LEU 6 HB2 LEU 6 -4.830 6.169 -13.344
46 HB3 LEU 6 HB3 LEU 6 -5.967 7.487 -13.068
47 HG LEU 6 HG LEU 6 -3.413 7.555 -14.662
48 HD11 LEU 6 HD11 LEU 6 -4.909 8.213 -16.475
49 HD12 LEU 6 HD12 LEU 6 -6.291 8.085 -15.388
50 HD13 LEU 6 HD13 LEU 6 -5.363 6.645 -15.806
51 HD21 LEU 6 HD21 LEU 6 -3.526 9.595 -13.359
52 HD22 LEU 6 HD22 LEU 6 -5.200 9.847 -13.853
53 HD23 LEU 6 HD23 LEU 6 -3.905 9.935 -15.048
54 H GLY 7 H GLY 7 -2.802 6.683 -9.947
55 HA2 GLY 7 HA2 GLY 7 -4.367 4.397 -9.268
56 HA3 GLY 7 HA3 GLY 7 -3.012 5.038 -8.350
57 H GLY 8 H GLY 8 -4.069 7.647 -7.907
58 HA2 GLY 8 HA2 GLY 8 -5.921 8.709 -6.832
59 HA3 GLY 8 HA3 GLY 8 -6.521 7.122 -6.372
60 H CYS 9 H CYS 9 -4.093 9.575 -5.695
61 HA CYS 9 HA CYS 9 -3.122 8.236 -3.340
62 HB2 CYS 9 HB2 CYS 9 -1.690 10.130 -3.048
63 HB3 CYS 9 HB3 CYS 9 -1.736 9.773 -4.772
64 H SER 10 H SER 10 -2.911 10.078 -1.407
65 HA SER 10 HA SER 10 -5.427 11.384 -0.890
66 HB2 SER 10 HB2 SER 10 -5.253 8.709 -0.158
67 HB3 SER 10 HB3 SER 10 -4.894 9.576 1.334
68 HG SER 10 HG SER 10 -7.239 9.110 0.453
69 H ALA 11 H ALA 11 -5.288 11.746 1.801
70 HA ALA 11 HA ALA 11 -3.142 13.614 2.036
71 HB1 ALA 11 HB1 ALA 11 -4.537 14.528 3.496
72 HB2 ALA 11 HB2 ALA 11 -5.612 13.140 3.333
73 HB3 ALA 11 HB3 ALA 11 -4.352 13.139 4.566
74 H GLY 12 H GLY 12 -3.575 10.303 2.891
75 HA2 GLY 12 HA2 GLY 12 -1.014 10.385 4.364
76 HA3 GLY 12 HA3 GLY 12 -2.344 9.349 4.859
77 H GLN 13 H GLN 13 -1.831 9.752 1.481
78 HA GLN 13 HA GLN 13 -0.726 7.026 1.360
79 HB2 GLN 13 HB2 GLN 13 -2.785 8.442 -0.190
80 HB3 GLN 13 HB3 GLN 13 -1.643 7.528 -1.166
81 HG2 GLN 13 HG2 GLN 13 -2.135 5.553 0.314
82 HG3 GLN 13 HG3 GLN 13 -3.451 6.502 1.001
83 HE21 GLN 13 HE21 GLN 13 -2.236 6.059 -2.302
84 HE22 GLN 13 HE22 GLN 13 -3.747 5.564 -2.975
85 H THR 14 H THR 14 0.430 6.688 -0.877
86 HA THR 14 HA THR 14 2.119 9.002 -1.507
87 HB THR 14 HB THR 14 3.460 6.346 -1.309
88 HG1 THR 14 HG1 THR 14 3.079 8.058 0.938
89 HG21 THR 14 HG21 THR 14 5.162 8.185 -0.305
90 HG22 THR 14 HG22 THR 14 4.183 9.208 -1.357
91 HG23 THR 14 HG23 THR 14 5.030 7.812 -2.023
92 H CYS 15 H CYS 15 3.500 8.559 -3.473
93 HA CYS 15 HA CYS 15 2.072 6.804 -5.360
94 HB2 CYS 15 HB2 CYS 15 3.224 9.550 -5.892
95 HB3 CYS 15 HB3 CYS 15 2.567 8.481 -7.127
96 H CYS 16 H CYS 16 3.290 5.616 -6.774
97 HA CYS 16 HA CYS 16 5.850 4.840 -6.062
98 HB2 CYS 16 HB2 CYS 16 4.473 4.667 -8.749
99 HB3 CYS 16 HB3 CYS 16 5.974 3.834 -8.354
100 H LYS 17 H LYS 17 7.742 4.917 -7.736
101 HA LYS 17 HA LYS 17 8.737 7.540 -7.761
102 HB2 LYS 17 HB2 LYS 17 10.053 5.361 -7.816
103 HB3 LYS 17 HB3 LYS 17 9.713 5.309 -9.541
104 HG2 LYS 17 HG2 LYS 17 11.175 6.962 -10.020
105 HG3 LYS 17 HG3 LYS 17 10.870 7.821 -8.509
106 HD2 LYS 17 HD2 LYS 17 12.115 5.259 -8.023
107 HD3 LYS 17 HD3 LYS 17 13.082 6.240 -9.127
108 HE2 LYS 17 HE2 LYS 17 13.480 7.856 -7.559
109 HE3 LYS 17 HE3 LYS 17 11.973 7.546 -6.698
110 HZ1 LYS 17 HZ1 LYS 17 14.276 6.825 -5.713
111 HZ2 LYS 17 HZ2 LYS 17 14.028 5.461 -6.681
112 HZ3 LYS 17 HZ3 LYS 17 12.897 5.870 -5.492
113 H HIS 18 H HIS 18 9.330 8.862 -9.593
114 HA HIS 18 HA HIS 18 8.873 10.015 -11.500
115 HB2 HIS 18 HB2 HIS 18 8.499 7.189 -12.252
116 HB3 HIS 18 HB3 HIS 18 7.695 8.348 -13.307
117 HD1 HIS 18 HD1 HIS 18 9.134 8.650 -15.289
118 HD2 HIS 18 HD2 HIS 18 11.358 8.471 -11.785
119 HE1 HIS 18 HE1 HIS 18 11.518 9.044 -15.985
120 H LEU 19 H LEU 19 6.794 9.499 -9.357
121 HA LEU 19 HA LEU 19 4.555 10.629 -10.859
122 HB2 LEU 19 HB2 LEU 19 4.289 8.334 -8.922
123 HB3 LEU 19 HB3 LEU 19 2.950 9.205 -9.667
124 HG LEU 19 HG LEU 19 4.940 7.880 -11.443
125 HD11 LEU 19 HD11 LEU 19 3.066 5.938 -11.163
126 HD12 LEU 19 HD12 LEU 19 3.230 6.500 -9.500
127 HD13 LEU 19 HD13 LEU 19 4.647 5.927 -10.380
128 HD21 LEU 19 HD21 LEU 19 2.804 7.456 -12.717
129 HD22 LEU 19 HD22 LEU 19 3.264 9.149 -12.533
130 HD23 LEU 19 HD23 LEU 19 1.989 8.466 -11.522
131 H VAL 20 H VAL 20 2.978 11.716 -9.480
132 HA VAL 20 HA VAL 20 3.925 12.362 -6.784
133 HB VAL 20 HB VAL 20 3.379 14.798 -7.250
134 HG11 VAL 20 HG11 VAL 20 5.600 15.231 -8.287
135 HG12 VAL 20 HG12 VAL 20 5.654 14.097 -6.936
136 HG13 VAL 20 HG13 VAL 20 5.746 13.501 -8.593
137 HG21 VAL 20 HG21 VAL 20 2.582 13.767 -9.715
138 HG22 VAL 20 HG22 VAL 20 2.722 15.467 -9.269
139 HG23 VAL 20 HG23 VAL 20 4.075 14.645 -10.046
140 H CYS 21 H CYS 21 2.325 12.897 -5.335
141 HA CYS 21 HA CYS 21 -0.307 12.010 -5.947
142 HB2 CYS 21 HB2 CYS 21 0.523 11.690 -3.718
143 HB3 CYS 21 HB3 CYS 21 0.850 13.410 -3.533
144 H SER 22 H SER 22 -1.268 13.248 -7.509
145 HA SER 22 HA SER 22 -1.256 16.104 -7.455
146 HB2 SER 22 HB2 SER 22 -1.565 14.529 -9.489
147 HB3 SER 22 HB3 SER 22 -3.253 14.455 -8.987
148 HG SER 22 HG SER 22 -1.759 16.708 -9.816
149 H ARG 23 H ARG 23 -2.164 16.996 -5.678
150 HA ARG 23 HA ARG 23 -4.479 16.003 -4.384
151 HB2 ARG 23 HB2 ARG 23 -3.151 18.715 -4.270
152 HB3 ARG 23 HB3 ARG 23 -4.466 18.216 -3.215
153 HG2 ARG 23 HG2 ARG 23 -2.693 16.178 -2.879
154 HG3 ARG 23 HG3 ARG 23 -1.620 17.558 -3.118
155 HD2 ARG 23 HD2 ARG 23 -1.992 17.480 -0.804
156 HD3 ARG 23 HD3 ARG 23 -3.054 18.760 -1.389
157 HE ARG 23 HE ARG 23 -4.840 17.529 -0.684
158 HH11 ARG 23 HH11 ARG 23 -2.082 15.425 -0.986
159 HH12 ARG 23 HH12 ARG 23 -2.891 14.052 -0.307
160 HH21 ARG 23 HH21 ARG 23 -5.916 15.727 0.211
161 HH22 ARG 23 HH22 ARG 23 -5.072 14.225 0.373
162 H ARG 24 H ARG 24 -4.009 17.994 -7.144
163 HA ARG 24 HA ARG 24 -6.646 19.185 -7.044
164 HB2 ARG 24 HB2 ARG 24 -4.344 19.311 -8.968
165 HB3 ARG 24 HB3 ARG 24 -5.929 19.914 -9.433
166 HG2 ARG 24 HG2 ARG 24 -5.601 21.126 -7.032
167 HG3 ARG 24 HG3 ARG 24 -3.935 21.049 -7.610
168 HD2 ARG 24 HD2 ARG 24 -5.517 21.848 -9.799
169 HD3 ARG 24 HD3 ARG 24 -6.054 22.799 -8.415
170 HE ARG 24 HE ARG 24 -4.065 23.926 -8.466
171 HH11 ARG 24 HH11 ARG 24 -3.769 21.011 -10.347
172 HH12 ARG 24 HH12 ARG 24 -2.204 21.416 -10.969
173 HH21 ARG 24 HH21 ARG 24 -2.004 24.470 -9.279
174 HH22 ARG 24 HH22 ARG 24 -1.200 23.384 -10.360
175 H HIS 25 H HIS 25 -4.943 16.881 -9.162
176 HA HIS 25 HA HIS 25 -7.258 16.227 -10.678
177 HB2 HIS 25 HB2 HIS 25 -4.508 15.068 -10.409
178 HB3 HIS 25 HB3 HIS 25 -5.752 14.163 -11.266
179 HD1 HIS 25 HD1 HIS 25 -6.503 15.056 -13.554
180 HD2 HIS 25 HD2 HIS 25 -3.616 17.401 -11.703
181 HE1 HIS 25 HE1 HIS 25 -5.693 16.648 -15.325
182 H GLY 26 H GLY 26 -5.829 14.984 -7.743
183 HA2 GLY 26 HA2 GLY 26 -6.976 13.750 -6.110
184 HA3 GLY 26 HA3 GLY 26 -8.215 13.372 -7.297
185 H TRP 27 H TRP 27 -5.004 12.906 -8.356
186 HA TRP 27 HA TRP 27 -4.735 10.200 -7.426
187 HB2 TRP 27 HB2 TRP 27 -4.835 9.150 -9.656
188 HB3 TRP 27 HB3 TRP 27 -6.385 9.847 -9.189
189 HD1 TRP 27 HD1 TRP 27 -3.292 11.142 -11.171
190 HE1 TRP 27 HE1 TRP 27 -4.162 12.408 -13.236
191 HE3 TRP 27 HE3 TRP 27 -8.316 10.616 -10.388
192 HZ2 TRP 27 HZ2 TRP 27 -6.649 13.095 -14.381
193 HZ3 TRP 27 HZ3 TRP 27 -9.873 11.607 -12.015
194 HH2 TRP 27 HH2 TRP 27 -9.055 12.821 -13.969
195 H CYS 28 H CYS 28 -2.766 9.160 -8.286
196 HA CYS 28 HA CYS 28 -0.577 10.936 -8.244
197 HB2 CYS 28 HB2 CYS 28 -0.643 8.050 -9.154
198 HB3 CYS 28 HB3 CYS 28 0.796 8.959 -8.703
199 H VAL 29 H VAL 29 0.349 12.079 -9.807
200 HA VAL 29 HA VAL 29 -0.272 11.381 -12.604
201 HB VAL 29 HB VAL 29 0.156 13.782 -13.125
202 HG11 VAL 29 HG11 VAL 29 -2.073 13.698 -13.105
203 HG12 VAL 29 HG12 VAL 29 -2.102 12.670 -11.671
204 HG13 VAL 29 HG13 VAL 29 -1.979 14.421 -11.499
205 HG21 VAL 29 HG21 VAL 29 1.523 14.446 -11.287
206 HG22 VAL 29 HG22 VAL 29 0.027 15.376 -11.195
207 HG23 VAL 29 HG23 VAL 29 0.276 13.999 -10.122
208 H TRP 30 H TRP 30 1.393 11.965 -14.193
209 HA TRP 30 HA TRP 30 3.881 10.861 -13.574
210 HB2 TRP 30 HB2 TRP 30 3.012 12.641 -15.854
211 HB3 TRP 30 HB3 TRP 30 4.609 11.903 -15.766
212 HD1 TRP 30 HD1 TRP 30 1.616 11.333 -17.543
213 HE1 TRP 30 HE1 TRP 30 1.218 8.848 -18.085
214 HE3 TRP 30 HE3 TRP 30 4.892 9.242 -14.222
215 HZ2 TRP 30 HZ2 TRP 30 2.166 6.335 -17.219
216 HZ3 TRP 30 HZ3 TRP 30 5.086 6.790 -14.142
217 HH2 TRP 30 HH2 TRP 30 3.750 5.369 -15.610
218 H ASP 31 H ASP 31 5.437 11.647 -12.333
219 HA ASP 31 HA ASP 31 5.536 14.358 -11.494
220 HB2 ASP 31 HB2 ASP 31 6.352 12.404 -10.152
221 HB3 ASP 31 HB3 ASP 31 7.718 12.279 -11.257
222 H GLY 32 H GLY 32 6.312 16.042 -12.569
223 HA2 GLY 32 HA2 GLY 32 8.271 17.083 -13.581
224 HA3 GLY 32 HA3 GLY 32 8.530 15.587 -14.465
225 H THR 33 H THR 33 5.464 15.559 -14.820
226 HA THR 33 HA THR 33 5.455 17.378 -17.137
227 HB THR 33 HB THR 33 3.996 15.893 -18.281
228 HG1 THR 33 HG1 THR 33 2.998 14.162 -17.278
229 HG21 THR 33 HG21 THR 33 6.530 15.178 -17.640
230 HG22 THR 33 HG22 THR 33 5.502 14.276 -18.753
231 HG23 THR 33 HG23 THR 33 5.638 13.769 -17.070
232 H PHE 34 H PHE 34 3.560 16.159 -14.426
233 HA PHE 34 HA PHE 34 1.132 17.386 -14.885
234 HB2 PHE 34 HB2 PHE 34 0.690 17.156 -12.555
235 HB3 PHE 34 HB3 PHE 34 1.732 15.807 -12.997
236 HD1 PHE 34 HD1 PHE 34 4.263 16.126 -12.592
237 HD2 PHE 34 HD2 PHE 34 1.243 18.503 -10.762
238 HE1 PHE 34 HE1 PHE 34 5.845 16.766 -10.820
239 HE2 PHE 34 HE2 PHE 34 2.821 19.148 -8.988
240 HZ PHE 34 HZ PHE 34 5.126 18.280 -9.016
241 H SER 35 H SER 35 0.241 19.266 -13.555
242 HA SER 35 HA SER 35 0.145 21.516 -13.232
243 HB2 SER 35 HB2 SER 35 1.474 21.651 -11.398
244 HB3 SER 35 HB3 SER 35 2.757 20.692 -12.135
245 HG SER 35 HG SER 35 3.430 22.836 -11.822
Start of MODEL 11
1 H1 GLU 1 H GLU 1 0.261 0.574 -0.036
2 HA GLU 1 HA GLU 1 3.030 0.257 -0.432
3 HB2 GLU 1 HB2 GLU 1 1.421 -1.729 -1.699
4 HB3 GLU 1 HB3 GLU 1 2.086 -0.685 -2.947
5 HG2 GLU 1 HG2 GLU 1 4.037 -1.473 -0.929
6 HG3 GLU 1 HG3 GLU 1 3.348 -2.828 -1.820
7 H CYS 2 H CYS 2 3.597 1.143 -2.787
8 HA CYS 2 HA CYS 2 2.402 3.751 -2.893
9 HB2 CYS 2 HB2 CYS 2 4.078 4.279 -4.512
10 HB3 CYS 2 HB3 CYS 2 4.844 3.265 -3.294
11 H ARG 3 H ARG 3 1.291 4.686 -4.636
12 HA ARG 3 HA ARG 3 -0.229 2.751 -6.223
13 HB2 ARG 3 HB2 ARG 3 -0.740 5.701 -5.802
14 HB3 ARG 3 HB3 ARG 3 -1.818 4.559 -6.593
15 HG2 ARG 3 HG2 ARG 3 -1.200 3.551 -4.011
16 HG3 ARG 3 HG3 ARG 3 -1.674 5.244 -3.854
17 HD2 ARG 3 HD2 ARG 3 -3.619 3.807 -3.676
18 HD3 ARG 3 HD3 ARG 3 -3.710 4.777 -5.146
19 HE ARG 3 HE ARG 3 -2.517 2.306 -5.746
20 HH11 ARG 3 HH11 ARG 3 -5.597 3.653 -4.841
21 HH12 ARG 3 HH12 ARG 3 -6.518 2.420 -5.638
22 HH21 ARG 3 HH21 ARG 3 -3.718 0.677 -6.799
23 HH22 ARG 3 HH22 ARG 3 -5.447 0.727 -6.751
24 H TYR 4 H TYR 4 -0.686 3.218 -8.479
25 HA TYR 4 HA TYR 4 1.649 4.402 -9.800
26 HB2 TYR 4 HB2 TYR 4 0.901 3.132 -11.790
27 HB3 TYR 4 HB3 TYR 4 1.198 2.092 -10.402
28 HD1 TYR 4 HD2 TYR 4 -0.651 0.989 -9.254
29 HD2 TYR 4 HD1 TYR 4 -1.336 3.443 -12.662
30 HE1 TYR 4 HE2 TYR 4 -2.910 0.042 -9.474
31 HE2 TYR 4 HE1 TYR 4 -3.598 2.504 -12.891
32 HH TYR 4 HH TYR 4 -5.172 0.909 -10.542
33 H TRP 5 H TRP 5 0.765 4.997 -12.257
34 HA TRP 5 HA TRP 5 -0.302 7.526 -12.059
35 HB2 TRP 5 HB2 TRP 5 0.808 6.353 -14.073
36 HB3 TRP 5 HB3 TRP 5 -0.817 5.801 -14.471
37 HD1 TRP 5 HD1 TRP 5 0.363 9.318 -13.314
38 HE1 TRP 5 HE1 TRP 5 -0.453 11.032 -15.052
39 HE3 TRP 5 HE3 TRP 5 -1.785 6.113 -16.670
40 HZ2 TRP 5 HZ2 TRP 5 -1.826 11.027 -17.518
41 HZ3 TRP 5 HZ3 TRP 5 -2.828 7.049 -18.692
42 HH2 TRP 5 HH2 TRP 5 -2.848 9.455 -19.106
43 H LEU 6 H LEU 6 -2.291 8.402 -11.932
44 HA LEU 6 HA LEU 6 -4.526 8.559 -11.540
45 HB2 LEU 6 HB2 LEU 6 -4.859 6.168 -13.324
46 HB3 LEU 6 HB3 LEU 6 -5.973 7.510 -13.072
47 HG LEU 6 HG LEU 6 -3.407 7.512 -14.649
48 HD11 LEU 6 HD11 LEU 6 -5.365 6.618 -15.794
49 HD12 LEU 6 HD12 LEU 6 -4.877 8.166 -16.484
50 HD13 LEU 6 HD13 LEU 6 -6.270 8.082 -15.406
51 HD21 LEU 6 HD21 LEU 6 -5.063 9.787 -13.617
52 HD22 LEU 6 HD22 LEU 6 -4.146 9.934 -15.117
53 HD23 LEU 6 HD23 LEU 6 -3.310 9.588 -13.602
54 H GLY 7 H GLY 7 -2.848 6.692 -9.916
55 HA2 GLY 7 HA2 GLY 7 -4.464 4.448 -9.216
56 HA3 GLY 7 HA3 GLY 7 -3.102 5.073 -8.299
57 H GLY 8 H GLY 8 -4.053 7.687 -7.839
58 HA2 GLY 8 HA2 GLY 8 -5.902 8.814 -6.807
59 HA3 GLY 8 HA3 GLY 8 -6.544 7.248 -6.336
60 H CYS 9 H CYS 9 -4.059 9.645 -5.668
61 HA CYS 9 HA CYS 9 -3.122 8.306 -3.302
62 HB2 CYS 9 HB2 CYS 9 -1.688 10.213 -2.997
63 HB3 CYS 9 HB3 CYS 9 -1.691 9.802 -4.709
64 H SER 10 H SER 10 -2.889 10.185 -1.389
65 HA SER 10 HA SER 10 -5.403 11.497 -0.879
66 HB2 SER 10 HB2 SER 10 -5.429 8.889 -0.205
67 HB3 SER 10 HB3 SER 10 -4.724 9.560 1.266
68 HG SER 10 HG SER 10 -7.283 9.676 0.368
69 H ALA 11 H ALA 11 -5.252 11.896 1.806
70 HA ALA 11 HA ALA 11 -3.108 13.771 2.005
71 HB1 ALA 11 HB1 ALA 11 -4.027 13.897 4.443
72 HB2 ALA 11 HB2 ALA 11 -4.994 14.510 3.100
73 HB3 ALA 11 HB3 ALA 11 -5.346 12.925 3.790
74 H GLY 12 H GLY 12 -3.537 10.472 2.920
75 HA2 GLY 12 HA2 GLY 12 -0.958 10.576 4.359
76 HA3 GLY 12 HA3 GLY 12 -2.286 9.557 4.896
77 H GLN 13 H GLN 13 -1.799 9.890 1.502
78 HA GLN 13 HA GLN 13 -0.726 7.151 1.426
79 HB2 GLN 13 HB2 GLN 13 -2.776 8.562 -0.139
80 HB3 GLN 13 HB3 GLN 13 -1.649 7.618 -1.104
81 HG2 GLN 13 HG2 GLN 13 -2.155 5.671 0.397
82 HG3 GLN 13 HG3 GLN 13 -3.446 6.646 1.098
83 HE21 GLN 13 HE21 GLN 13 -2.297 6.158 -2.222
84 HE22 GLN 13 HE22 GLN 13 -3.827 5.677 -2.864
85 H THR 14 H THR 14 0.419 6.755 -0.804
86 HA THR 14 HA THR 14 2.130 9.038 -1.488
87 HB THR 14 HB THR 14 3.442 6.371 -1.240
88 HG1 THR 14 HG1 THR 14 3.166 8.132 0.979
89 HG21 THR 14 HG21 THR 14 4.198 9.222 -1.356
90 HG22 THR 14 HG22 THR 14 5.027 7.802 -1.993
91 HG23 THR 14 HG23 THR 14 5.169 8.213 -0.285
92 H CYS 15 H CYS 15 3.495 8.544 -3.452
93 HA CYS 15 HA CYS 15 2.034 6.772 -5.299
94 HB2 CYS 15 HB2 CYS 15 3.244 9.482 -5.889
95 HB3 CYS 15 HB3 CYS 15 2.559 8.403 -7.100
96 H CYS 16 H CYS 16 3.225 5.529 -6.686
97 HA CYS 16 HA CYS 16 5.772 4.719 -5.962
98 HB2 CYS 16 HB2 CYS 16 4.399 4.513 -8.649
99 HB3 CYS 16 HB3 CYS 16 5.868 3.644 -8.217
100 H LYS 17 H LYS 17 7.657 4.718 -7.648
101 HA LYS 17 HA LYS 17 8.706 7.318 -7.735
102 HB2 LYS 17 HB2 LYS 17 10.032 5.190 -7.717
103 HB3 LYS 17 HB3 LYS 17 9.593 4.961 -9.405
104 HG2 LYS 17 HG2 LYS 17 10.987 6.600 -10.138
105 HG3 LYS 17 HG3 LYS 17 10.851 7.538 -8.649
106 HD2 LYS 17 HD2 LYS 17 12.061 5.135 -7.897
107 HD3 LYS 17 HD3 LYS 17 12.834 5.587 -9.418
108 HE2 LYS 17 HE2 LYS 17 13.707 7.528 -8.554
109 HE3 LYS 17 HE3 LYS 17 12.449 7.674 -7.327
110 HZ1 LYS 17 HZ1 LYS 17 13.886 5.326 -6.832
111 HZ2 LYS 17 HZ2 LYS 17 13.804 6.723 -5.881
112 HZ3 LYS 17 HZ3 LYS 17 15.007 6.572 -7.060
113 H HIS 18 H HIS 18 9.318 8.587 -9.598
114 HA HIS 18 HA HIS 18 8.875 9.709 -11.527
115 HB2 HIS 18 HB2 HIS 18 8.433 6.877 -12.216
116 HB3 HIS 18 HB3 HIS 18 7.649 8.031 -13.291
117 HD1 HIS 18 HD1 HIS 18 9.082 8.266 -15.286
118 HD2 HIS 18 HD2 HIS 18 11.324 8.097 -11.793
119 HE1 HIS 18 HE1 HIS 18 11.470 8.590 -16.004
120 H LEU 19 H LEU 19 6.798 9.286 -9.362
121 HA LEU 19 HA LEU 19 4.576 10.436 -10.873
122 HB2 LEU 19 HB2 LEU 19 4.273 8.180 -8.897
123 HB3 LEU 19 HB3 LEU 19 2.947 9.071 -9.642
124 HG LEU 19 HG LEU 19 4.879 7.696 -11.436
125 HD11 LEU 19 HD11 LEU 19 4.592 5.715 -10.465
126 HD12 LEU 19 HD12 LEU 19 2.912 5.806 -10.992
127 HD13 LEU 19 HD13 LEU 19 3.358 6.342 -9.372
128 HD21 LEU 19 HD21 LEU 19 1.925 8.271 -11.436
129 HD22 LEU 19 HD22 LEU 19 2.712 7.255 -12.644
130 HD23 LEU 19 HD23 LEU 19 3.166 8.953 -12.487
131 H VAL 20 H VAL 20 3.008 11.550 -9.483
132 HA VAL 20 HA VAL 20 3.979 12.225 -6.808
133 HB VAL 20 HB VAL 20 3.527 14.669 -7.302
134 HG11 VAL 20 HG11 VAL 20 5.776 13.892 -6.996
135 HG12 VAL 20 HG12 VAL 20 5.836 13.274 -8.648
136 HG13 VAL 20 HG13 VAL 20 5.754 15.012 -8.358
137 HG21 VAL 20 HG21 VAL 20 2.858 15.329 -9.316
138 HG22 VAL 20 HG22 VAL 20 4.199 14.489 -10.094
139 HG23 VAL 20 HG23 VAL 20 2.694 13.631 -9.763
140 H CYS 21 H CYS 21 2.390 12.807 -5.372
141 HA CYS 21 HA CYS 21 -0.265 12.003 -5.984
142 HB2 CYS 21 HB2 CYS 21 0.548 11.699 -3.745
143 HB3 CYS 21 HB3 CYS 21 0.920 13.413 -3.588
144 H SER 22 H SER 22 -1.181 13.241 -7.572
145 HA SER 22 HA SER 22 -1.088 16.100 -7.553
146 HB2 SER 22 HB2 SER 22 -1.403 14.505 -9.575
147 HB3 SER 22 HB3 SER 22 -3.103 14.491 -9.103
148 HG SER 22 HG SER 22 -2.241 16.172 -10.675
149 H ARG 23 H ARG 23 -2.016 17.059 -5.829
150 HA ARG 23 HA ARG 23 -4.391 16.125 -4.577
151 HB2 ARG 23 HB2 ARG 23 -2.963 18.784 -4.405
152 HB3 ARG 23 HB3 ARG 23 -4.317 18.321 -3.383
153 HG2 ARG 23 HG2 ARG 23 -2.761 16.242 -2.884
154 HG3 ARG 23 HG3 ARG 23 -1.503 17.390 -3.346
155 HD2 ARG 23 HD2 ARG 23 -1.584 18.101 -1.232
156 HD3 ARG 23 HD3 ARG 23 -3.110 18.867 -1.671
157 HE ARG 23 HE ARG 23 -3.614 16.206 -0.950
158 HH11 ARG 23 HH11 ARG 23 -2.592 19.210 0.483
159 HH12 ARG 23 HH12 ARG 23 -3.244 18.838 2.044
160 HH21 ARG 23 HH21 ARG 23 -4.477 15.705 1.101
161 HH22 ARG 23 HH22 ARG 23 -4.316 16.844 2.395
162 H ARG 24 H ARG 24 -3.790 18.039 -7.345
163 HA ARG 24 HA ARG 24 -6.364 19.373 -7.291
164 HB2 ARG 24 HB2 ARG 24 -4.014 19.393 -9.157
165 HB3 ARG 24 HB3 ARG 24 -5.560 20.053 -9.671
166 HG2 ARG 24 HG2 ARG 24 -4.483 20.970 -7.069
167 HG3 ARG 24 HG3 ARG 24 -3.685 21.539 -8.536
168 HD2 ARG 24 HD2 ARG 24 -5.299 23.029 -8.849
169 HD3 ARG 24 HD3 ARG 24 -6.494 21.734 -8.917
170 HE ARG 24 HE ARG 24 -5.856 22.298 -6.231
171 HH11 ARG 24 HH11 ARG 24 -7.543 23.654 -8.958
172 HH12 ARG 24 HH12 ARG 24 -8.661 24.553 -7.986
173 HH21 ARG 24 HH21 ARG 24 -7.322 23.477 -4.940
174 HH22 ARG 24 HH22 ARG 24 -8.533 24.452 -5.701
175 H HIS 25 H HIS 25 -4.743 16.854 -9.193
176 HA HIS 25 HA HIS 25 -7.065 16.335 -10.801
177 HB2 HIS 25 HB2 HIS 25 -4.347 15.112 -10.527
178 HB3 HIS 25 HB3 HIS 25 -5.613 14.213 -11.358
179 HD1 HIS 25 HD1 HIS 25 -6.397 15.108 -13.646
180 HD2 HIS 25 HD2 HIS 25 -3.389 17.370 -11.887
181 HE1 HIS 25 HE1 HIS 25 -5.563 16.640 -15.456
182 H GLY 26 H GLY 26 -5.705 15.084 -7.843
183 HA2 GLY 26 HA2 GLY 26 -6.904 13.894 -6.214
184 HA3 GLY 26 HA3 GLY 26 -8.132 13.529 -7.417
185 H TRP 27 H TRP 27 -4.921 12.981 -8.429
186 HA TRP 27 HA TRP 27 -4.718 10.283 -7.459
187 HB2 TRP 27 HB2 TRP 27 -4.817 9.205 -9.676
188 HB3 TRP 27 HB3 TRP 27 -6.356 9.938 -9.233
189 HD1 TRP 27 HD1 TRP 27 -3.220 11.141 -11.206
190 HE1 TRP 27 HE1 TRP 27 -4.046 12.398 -13.294
191 HE3 TRP 27 HE3 TRP 27 -8.261 10.735 -10.457
192 HZ2 TRP 27 HZ2 TRP 27 -6.508 13.123 -14.468
193 HZ3 TRP 27 HZ3 TRP 27 -9.783 11.739 -12.109
194 HH2 TRP 27 HH2 TRP 27 -8.923 12.908 -14.072
195 H CYS 28 H CYS 28 -2.768 9.184 -8.310
196 HA CYS 28 HA CYS 28 -0.541 10.921 -8.266
197 HB2 CYS 28 HB2 CYS 28 -0.663 8.018 -9.113
198 HB3 CYS 28 HB3 CYS 28 0.795 8.906 -8.681
199 H VAL 29 H VAL 29 0.431 12.008 -9.842
200 HA VAL 29 HA VAL 29 -0.184 11.272 -12.630
201 HB VAL 29 HB VAL 29 0.302 13.650 -13.195
202 HG11 VAL 29 HG11 VAL 29 -1.959 13.286 -13.151
203 HG12 VAL 29 HG12 VAL 29 -1.963 12.820 -11.449
204 HG13 VAL 29 HG13 VAL 29 -1.815 14.519 -11.899
205 HG21 VAL 29 HG21 VAL 29 0.421 13.922 -10.198
206 HG22 VAL 29 HG22 VAL 29 1.681 14.319 -11.367
207 HG23 VAL 29 HG23 VAL 29 0.207 15.285 -11.297
208 H TRP 30 H TRP 30 1.511 11.824 -14.215
209 HA TRP 30 HA TRP 30 3.963 10.654 -13.563
210 HB2 TRP 30 HB2 TRP 30 3.196 12.456 -15.865
211 HB3 TRP 30 HB3 TRP 30 4.741 11.616 -15.756
212 HD1 TRP 30 HD1 TRP 30 1.745 11.229 -17.570
213 HE1 TRP 30 HE1 TRP 30 1.186 8.772 -18.096
214 HE3 TRP 30 HE3 TRP 30 4.818 8.954 -14.177
215 HZ2 TRP 30 HZ2 TRP 30 1.946 6.209 -17.190
216 HZ3 TRP 30 HZ3 TRP 30 4.842 6.496 -14.070
217 HH2 TRP 30 HH2 TRP 30 3.435 5.154 -15.546
218 H ASP 31 H ASP 31 5.732 11.399 -12.595
219 HA ASP 31 HA ASP 31 5.838 14.154 -11.735
220 HB2 ASP 31 HB2 ASP 31 6.496 12.268 -10.246
221 HB3 ASP 31 HB3 ASP 31 7.861 11.945 -11.311
222 H GLY 32 H GLY 32 6.826 15.748 -12.778
223 HA2 GLY 32 HA2 GLY 32 8.925 16.544 -13.769
224 HA3 GLY 32 HA3 GLY 32 8.973 15.043 -14.683
225 H THR 33 H THR 33 5.959 15.355 -15.055
226 HA THR 33 HA THR 33 6.091 17.385 -17.190
227 HB THR 33 HB THR 33 6.042 15.084 -18.098
228 HG1 THR 33 HG1 THR 33 4.150 15.474 -19.442
229 HG21 THR 33 HG21 THR 33 4.079 13.690 -17.833
230 HG22 THR 33 HG22 THR 33 3.313 14.910 -16.815
231 HG23 THR 33 HG23 THR 33 4.750 14.062 -16.246
232 H PHE 34 H PHE 34 4.176 15.881 -14.674
233 HA PHE 34 HA PHE 34 1.691 16.995 -15.109
234 HB2 PHE 34 HB2 PHE 34 1.218 16.590 -12.817
235 HB3 PHE 34 HB3 PHE 34 2.373 15.350 -13.295
236 HD1 PHE 34 HD2 PHE 34 4.891 15.963 -12.866
237 HD2 PHE 34 HD1 PHE 34 1.585 17.757 -10.874
238 HE1 PHE 34 HE2 PHE 34 6.371 16.628 -11.017
239 HE2 PHE 34 HE1 PHE 34 3.060 18.426 -9.022
240 HZ PHE 34 HZ PHE 34 5.456 17.861 -9.091
241 H SER 35 H SER 35 0.652 18.763 -13.790
242 HA SER 35 HA SER 35 0.418 20.993 -13.401
243 HB2 SER 35 HB2 SER 35 1.558 20.986 -11.419
244 HB3 SER 35 HB3 SER 35 3.004 20.270 -12.132
245 HG SER 35 HG SER 35 3.667 22.279 -11.851
Start of MODEL 12
1 H1 GLU 1 H GLU 1 1.470 -0.152 0.799
2 HA GLU 1 HA GLU 1 3.137 0.000 -0.745
3 HB2 GLU 1 HB2 GLU 1 1.287 -1.872 -1.880
4 HB3 GLU 1 HB3 GLU 1 1.938 -0.861 -3.162
5 HG2 GLU 1 HG2 GLU 1 4.173 -1.478 -2.620
6 HG3 GLU 1 HG3 GLU 1 3.648 -2.300 -1.152
7 H CYS 2 H CYS 2 3.634 1.022 -2.962
8 HA CYS 2 HA CYS 2 2.382 3.605 -2.994
9 HB2 CYS 2 HB2 CYS 2 4.053 4.219 -4.589
10 HB3 CYS 2 HB3 CYS 2 4.836 3.185 -3.398
11 H ARG 3 H ARG 3 1.253 4.568 -4.709
12 HA ARG 3 HA ARG 3 -0.215 2.650 -6.363
13 HB2 ARG 3 HB2 ARG 3 -0.795 5.573 -5.855
14 HB3 ARG 3 HB3 ARG 3 -1.845 4.431 -6.682
15 HG2 ARG 3 HG2 ARG 3 -1.212 3.358 -4.131
16 HG3 ARG 3 HG3 ARG 3 -1.718 5.036 -3.922
17 HD2 ARG 3 HD2 ARG 3 -3.596 3.428 -3.812
18 HD3 ARG 3 HD3 ARG 3 -3.772 4.615 -5.103
19 HE ARG 3 HE ARG 3 -3.685 2.912 -6.625
20 HH11 ARG 3 HH11 ARG 3 -2.458 1.767 -3.574
21 HH12 ARG 3 HH12 ARG 3 -2.343 0.118 -4.091
22 HH21 ARG 3 HH21 ARG 3 -3.538 0.744 -7.317
23 HH22 ARG 3 HH22 ARG 3 -2.957 -0.463 -6.221
24 H TYR 4 H TYR 4 -0.677 3.180 -8.605
25 HA TYR 4 HA TYR 4 1.637 4.453 -9.879
26 HB2 TYR 4 HB2 TYR 4 0.913 3.236 -11.914
27 HB3 TYR 4 HB3 TYR 4 1.237 2.158 -10.560
28 HD1 TYR 4 HD2 TYR 4 -0.582 0.970 -9.454
29 HD2 TYR 4 HD1 TYR 4 -1.336 3.531 -12.766
30 HE1 TYR 4 HE2 TYR 4 -2.819 -0.020 -9.703
31 HE2 TYR 4 HE1 TYR 4 -3.576 2.549 -13.024
32 HH TYR 4 HH TYR 4 -4.559 -0.271 -11.262
33 H TRP 5 H TRP 5 0.752 5.115 -12.316
34 HA TRP 5 HA TRP 5 -0.370 7.613 -12.035
35 HB2 TRP 5 HB2 TRP 5 0.779 6.539 -14.081
36 HB3 TRP 5 HB3 TRP 5 -0.829 5.963 -14.511
37 HD1 TRP 5 HD1 TRP 5 0.266 9.464 -13.227
38 HE1 TRP 5 HE1 TRP 5 -0.582 11.219 -14.908
39 HE3 TRP 5 HE3 TRP 5 -1.802 6.331 -16.697
40 HZ2 TRP 5 HZ2 TRP 5 -1.948 11.268 -17.378
41 HZ3 TRP 5 HZ3 TRP 5 -2.860 7.312 -18.690
42 HH2 TRP 5 HH2 TRP 5 -2.931 9.730 -19.021
43 H LEU 6 H LEU 6 -2.378 8.440 -11.889
44 HA LEU 6 HA LEU 6 -4.621 8.540 -11.524
45 HB2 LEU 6 HB2 LEU 6 -4.876 6.181 -13.364
46 HB3 LEU 6 HB3 LEU 6 -6.034 7.480 -13.085
47 HG LEU 6 HG LEU 6 -3.461 7.606 -14.645
48 HD11 LEU 6 HD11 LEU 6 -6.333 8.104 -15.414
49 HD12 LEU 6 HD12 LEU 6 -5.388 6.671 -15.818
50 HD13 LEU 6 HD13 LEU 6 -4.933 8.241 -16.478
51 HD21 LEU 6 HD21 LEU 6 -3.625 9.631 -13.329
52 HD22 LEU 6 HD22 LEU 6 -5.301 9.854 -13.832
53 HD23 LEU 6 HD23 LEU 6 -4.000 9.981 -15.017
54 H GLY 7 H GLY 7 -2.905 6.668 -9.936
55 HA2 GLY 7 HA2 GLY 7 -4.484 4.380 -9.291
56 HA3 GLY 7 HA3 GLY 7 -3.131 5.004 -8.359
57 H GLY 8 H GLY 8 -4.207 7.627 -7.933
58 HA2 GLY 8 HA2 GLY 8 -6.039 8.689 -6.843
59 HA3 GLY 8 HA3 GLY 8 -6.664 7.103 -6.414
60 H CYS 9 H CYS 9 -4.214 9.514 -5.670
61 HA CYS 9 HA CYS 9 -3.282 8.128 -3.328
62 HB2 CYS 9 HB2 CYS 9 -1.856 10.028 -2.975
63 HB3 CYS 9 HB3 CYS 9 -1.854 9.666 -4.698
64 H SER 10 H SER 10 -3.077 9.953 -1.369
65 HA SER 10 HA SER 10 -5.597 11.251 -0.852
66 HB2 SER 10 HB2 SER 10 -5.389 8.560 -0.129
67 HB3 SER 10 HB3 SER 10 -5.104 9.445 1.369
68 HG SER 10 HG SER 10 -7.070 10.478 1.102
69 H ALA 11 H ALA 11 -5.476 11.581 1.844
70 HA ALA 11 HA ALA 11 -3.333 13.449 2.114
71 HB1 ALA 11 HB1 ALA 11 -5.736 13.489 3.129
72 HB2 ALA 11 HB2 ALA 11 -4.988 12.575 4.439
73 HB3 ALA 11 HB3 ALA 11 -4.385 14.180 4.027
74 H GLY 12 H GLY 12 -3.769 10.128 2.931
75 HA2 GLY 12 HA2 GLY 12 -1.217 10.195 4.419
76 HA3 GLY 12 HA3 GLY 12 -2.550 9.154 4.895
77 H GLN 13 H GLN 13 -2.015 9.593 1.524
78 HA GLN 13 HA GLN 13 -0.913 6.868 1.381
79 HB2 GLN 13 HB2 GLN 13 -2.958 8.305 -0.168
80 HB3 GLN 13 HB3 GLN 13 -1.809 7.401 -1.146
81 HG2 GLN 13 HG2 GLN 13 -2.315 5.409 0.306
82 HG3 GLN 13 HG3 GLN 13 -3.636 6.352 0.995
83 HE21 GLN 13 HE21 GLN 13 -2.395 5.946 -2.304
84 HE22 GLN 13 HE22 GLN 13 -3.902 5.461 -2.995
85 H THR 14 H THR 14 0.261 6.552 -0.849
86 HA THR 14 HA THR 14 1.956 8.871 -1.444
87 HB THR 14 HB THR 14 3.295 6.212 -1.252
88 HG1 THR 14 HG1 THR 14 2.732 7.900 0.978
89 HG21 THR 14 HG21 THR 14 4.992 8.042 -0.226
90 HG22 THR 14 HG22 THR 14 4.021 9.074 -1.276
91 HG23 THR 14 HG23 THR 14 4.871 7.682 -1.947
92 H CYS 15 H CYS 15 3.352 8.446 -3.402
93 HA CYS 15 HA CYS 15 1.942 6.704 -5.315
94 HB2 CYS 15 HB2 CYS 15 3.110 9.448 -5.827
95 HB3 CYS 15 HB3 CYS 15 2.438 8.391 -7.064
96 H CYS 16 H CYS 16 3.172 5.527 -6.726
97 HA CYS 16 HA CYS 16 5.724 4.741 -5.998
98 HB2 CYS 16 HB2 CYS 16 4.381 4.599 -8.704
99 HB3 CYS 16 HB3 CYS 16 5.870 3.753 -8.294
100 H LYS 17 H LYS 17 7.635 4.833 -7.646
101 HA LYS 17 HA LYS 17 8.634 7.454 -7.635
102 HB2 LYS 17 HB2 LYS 17 9.911 5.222 -7.733
103 HB3 LYS 17 HB3 LYS 17 9.646 5.293 -9.471
104 HG2 LYS 17 HG2 LYS 17 11.145 6.954 -9.772
105 HG3 LYS 17 HG3 LYS 17 10.784 7.712 -8.219
106 HD2 LYS 17 HD2 LYS 17 12.204 5.074 -8.357
107 HD3 LYS 17 HD3 LYS 17 13.087 6.591 -8.546
108 HE2 LYS 17 HE2 LYS 17 11.743 7.212 -6.348
109 HE3 LYS 17 HE3 LYS 17 11.724 5.460 -6.158
110 HZ1 LYS 17 HZ1 LYS 17 14.305 6.499 -6.870
111 HZ2 LYS 17 HZ2 LYS 17 13.875 5.431 -5.631
112 HZ3 LYS 17 HZ3 LYS 17 13.738 7.100 -5.394
113 H HIS 18 H HIS 18 9.250 8.794 -9.447
114 HA HIS 18 HA HIS 18 8.813 9.970 -11.344
115 HB2 HIS 18 HB2 HIS 18 8.436 7.154 -12.132
116 HB3 HIS 18 HB3 HIS 18 7.647 8.329 -13.181
117 HD1 HIS 18 HD1 HIS 18 9.095 8.735 -15.132
118 HD2 HIS 18 HD2 HIS 18 11.306 8.334 -11.638
119 HE1 HIS 18 HE1 HIS 18 11.489 9.106 -15.805
120 H LEU 19 H LEU 19 6.709 9.422 -9.228
121 HA LEU 19 HA LEU 19 4.490 10.589 -10.732
122 HB2 LEU 19 HB2 LEU 19 4.197 8.255 -8.846
123 HB3 LEU 19 HB3 LEU 19 2.868 9.147 -9.584
124 HG LEU 19 HG LEU 19 4.857 7.882 -11.394
125 HD11 LEU 19 HD11 LEU 19 3.053 5.881 -11.136
126 HD12 LEU 19 HD12 LEU 19 3.198 6.417 -9.463
127 HD13 LEU 19 HD13 LEU 19 4.633 5.906 -10.351
128 HD21 LEU 19 HD21 LEU 19 1.895 8.410 -11.413
129 HD22 LEU 19 HD22 LEU 19 2.699 7.421 -12.633
130 HD23 LEU 19 HD23 LEU 19 3.140 9.119 -12.442
131 H VAL 20 H VAL 20 2.929 11.692 -9.374
132 HA VAL 20 HA VAL 20 3.831 12.265 -6.645
133 HB VAL 20 HB VAL 20 3.389 14.702 -7.026
134 HG11 VAL 20 HG11 VAL 20 5.641 14.224 -6.859
135 HG12 VAL 20 HG12 VAL 20 5.647 13.235 -8.320
136 HG13 VAL 20 HG13 VAL 20 5.553 14.992 -8.444
137 HG21 VAL 20 HG21 VAL 20 3.301 13.791 -9.894
138 HG22 VAL 20 HG22 VAL 20 2.066 14.677 -9.001
139 HG23 VAL 20 HG23 VAL 20 3.588 15.465 -9.418
140 H CYS 21 H CYS 21 2.214 12.781 -5.210
141 HA CYS 21 HA CYS 21 -0.415 11.933 -5.876
142 HB2 CYS 21 HB2 CYS 21 0.378 11.579 -3.638
143 HB3 CYS 21 HB3 CYS 21 0.713 13.294 -3.426
144 H SER 22 H SER 22 -1.349 13.195 -7.432
145 HA SER 22 HA SER 22 -1.317 16.054 -7.333
146 HB2 SER 22 HB2 SER 22 -1.587 14.507 -9.399
147 HB3 SER 22 HB3 SER 22 -3.289 14.450 -8.941
148 HG SER 22 HG SER 22 -1.845 16.858 -9.338
149 H ARG 23 H ARG 23 -2.278 16.950 -5.595
150 HA ARG 23 HA ARG 23 -4.638 15.932 -4.381
151 HB2 ARG 23 HB2 ARG 23 -3.203 18.575 -4.131
152 HB3 ARG 23 HB3 ARG 23 -4.626 18.163 -3.184
153 HG2 ARG 23 HG2 ARG 23 -3.422 16.235 -2.249
154 HG3 ARG 23 HG3 ARG 23 -1.989 16.711 -3.162
155 HD2 ARG 23 HD2 ARG 23 -2.837 19.006 -1.789
156 HD3 ARG 23 HD3 ARG 23 -2.948 17.680 -0.633
157 HE ARG 23 HE ARG 23 -0.472 17.745 -2.093
158 HH11 ARG 23 HH11 ARG 23 -2.191 18.931 0.692
159 HH12 ARG 23 HH12 ARG 23 -0.753 19.271 1.597
160 HH21 ARG 23 HH21 ARG 23 1.428 18.189 -0.913
161 HH22 ARG 23 HH22 ARG 23 1.305 18.850 0.683
162 H ARG 24 H ARG 24 -4.060 17.946 -7.088
163 HA ARG 24 HA ARG 24 -6.662 19.218 -7.021
164 HB2 ARG 24 HB2 ARG 24 -4.399 19.266 -9.016
165 HB3 ARG 24 HB3 ARG 24 -5.929 20.090 -9.286
166 HG2 ARG 24 HG2 ARG 24 -5.098 20.899 -6.748
167 HG3 ARG 24 HG3 ARG 24 -3.647 20.922 -7.753
168 HD2 ARG 24 HD2 ARG 24 -6.261 22.320 -8.298
169 HD3 ARG 24 HD3 ARG 24 -4.725 23.072 -7.869
170 HE ARG 24 HE ARG 24 -4.575 21.497 -10.258
171 HH11 ARG 24 HH11 ARG 24 -5.436 24.609 -8.956
172 HH12 ARG 24 HH12 ARG 24 -5.186 25.449 -10.451
173 HH21 ARG 24 HH21 ARG 24 -4.243 22.592 -12.232
174 HH22 ARG 24 HH22 ARG 24 -4.509 24.300 -12.314
175 H HIS 25 H HIS 25 -4.988 16.780 -8.984
176 HA HIS 25 HA HIS 25 -7.301 16.249 -10.601
177 HB2 HIS 25 HB2 HIS 25 -4.565 15.049 -10.348
178 HB3 HIS 25 HB3 HIS 25 -5.818 14.184 -11.233
179 HD1 HIS 25 HD1 HIS 25 -6.459 15.068 -13.534
180 HD2 HIS 25 HD2 HIS 25 -3.719 17.478 -11.547
181 HE1 HIS 25 HE1 HIS 25 -5.638 16.711 -15.252
182 H GLY 26 H GLY 26 -5.912 14.956 -7.674
183 HA2 GLY 26 HA2 GLY 26 -7.085 13.703 -6.073
184 HA3 GLY 26 HA3 GLY 26 -8.306 13.340 -7.284
185 H TRP 27 H TRP 27 -5.083 12.885 -8.307
186 HA TRP 27 HA TRP 27 -4.823 10.170 -7.401
187 HB2 TRP 27 HB2 TRP 27 -4.898 9.144 -9.644
188 HB3 TRP 27 HB3 TRP 27 -6.453 9.833 -9.186
189 HD1 TRP 27 HD1 TRP 27 -3.341 11.160 -11.117
190 HE1 TRP 27 HE1 TRP 27 -4.190 12.444 -13.179
191 HE3 TRP 27 HE3 TRP 27 -8.372 10.603 -10.404
192 HZ2 TRP 27 HZ2 TRP 27 -6.666 13.132 -14.348
193 HZ3 TRP 27 HZ3 TRP 27 -9.913 11.606 -12.040
194 HH2 TRP 27 HH2 TRP 27 -9.076 12.844 -13.970
195 H CYS 28 H CYS 28 -2.850 9.133 -8.278
196 HA CYS 28 HA CYS 28 -0.660 10.913 -8.188
197 HB2 CYS 28 HB2 CYS 28 -0.709 8.036 -9.122
198 HB3 CYS 28 HB3 CYS 28 0.720 8.943 -8.638
199 H VAL 29 H VAL 29 0.306 12.049 -9.734
200 HA VAL 29 HA VAL 29 -0.306 11.386 -12.540
201 HB VAL 29 HB VAL 29 0.167 13.787 -13.034
202 HG11 VAL 29 HG11 VAL 29 -2.075 13.592 -13.053
203 HG12 VAL 29 HG12 VAL 29 -2.119 12.754 -11.501
204 HG13 VAL 29 HG13 VAL 29 -1.979 14.512 -11.551
205 HG21 VAL 29 HG21 VAL 29 0.235 13.973 -10.027
206 HG22 VAL 29 HG22 VAL 29 1.517 14.403 -11.160
207 HG23 VAL 29 HG23 VAL 29 0.039 15.364 -11.095
208 H TRP 30 H TRP 30 1.377 11.969 -14.114
209 HA TRP 30 HA TRP 30 3.852 10.830 -13.471
210 HB2 TRP 30 HB2 TRP 30 3.006 12.591 -15.774
211 HB3 TRP 30 HB3 TRP 30 4.599 11.846 -15.670
212 HD1 TRP 30 HD1 TRP 30 1.605 11.274 -17.451
213 HE1 TRP 30 HE1 TRP 30 1.197 8.786 -17.971
214 HE3 TRP 30 HE3 TRP 30 4.866 9.200 -14.104
215 HZ2 TRP 30 HZ2 TRP 30 2.133 6.277 -17.079
216 HZ3 TRP 30 HZ3 TRP 30 5.049 6.748 -14.000
217 HH2 TRP 30 HH2 TRP 30 3.709 5.319 -15.457
218 H ASP 31 H ASP 31 5.417 11.616 -12.242
219 HA ASP 31 HA ASP 31 5.532 14.347 -11.447
220 HB2 ASP 31 HB2 ASP 31 6.286 12.426 -10.034
221 HB3 ASP 31 HB3 ASP 31 7.661 12.226 -11.117
222 H GLY 32 H GLY 32 6.344 15.988 -12.561
223 HA2 GLY 32 HA2 GLY 32 8.346 16.971 -13.555
224 HA3 GLY 32 HA3 GLY 32 8.593 15.449 -14.398
225 H THR 33 H THR 33 5.541 15.457 -14.817
226 HA THR 33 HA THR 33 5.600 17.232 -17.168
227 HB THR 33 HB THR 33 4.150 15.740 -18.316
228 HG1 THR 33 HG1 THR 33 2.804 14.498 -17.262
229 HG21 THR 33 HG21 THR 33 6.655 15.045 -17.730
230 HG22 THR 33 HG22 THR 33 5.594 14.012 -18.687
231 HG23 THR 33 HG23 THR 33 5.824 13.690 -16.969
232 H PHE 34 H PHE 34 3.646 16.089 -14.469
233 HA PHE 34 HA PHE 34 1.234 17.317 -15.000
234 HB2 PHE 34 HB2 PHE 34 0.750 17.149 -12.675
235 HB3 PHE 34 HB3 PHE 34 1.795 15.786 -13.061
236 HD1 PHE 34 HD1 PHE 34 4.335 16.149 -12.647
237 HD2 PHE 34 HD2 PHE 34 1.260 18.503 -10.881
238 HE1 PHE 34 HE1 PHE 34 5.887 16.832 -10.864
239 HE2 PHE 34 HE2 PHE 34 2.807 19.191 -9.096
240 HZ PHE 34 HZ PHE 34 5.124 18.356 -9.086
241 H SER 35 H SER 35 0.328 19.238 -13.752
242 HA SER 35 HA SER 35 0.235 21.501 -13.522
243 HB2 SER 35 HB2 SER 35 1.481 21.537 -11.595
244 HB3 SER 35 HB3 SER 35 2.868 20.750 -12.349
245 HG SER 35 HG SER 35 3.601 22.744 -12.250
Start of MODEL 13
1 H1 GLU 1 H GLU 1 0.541 0.467 0.141
2 HA GLU 1 HA GLU 1 3.068 0.189 -0.474
3 HB2 GLU 1 HB2 GLU 1 3.317 -0.831 -2.700
4 HB3 GLU 1 HB3 GLU 1 2.711 -1.980 -1.515
5 HG2 GLU 1 HG2 GLU 1 0.455 -1.706 -2.377
6 HG3 GLU 1 HG3 GLU 1 1.034 -0.517 -3.543
7 H CYS 2 H CYS 2 3.692 1.135 -2.846
8 HA CYS 2 HA CYS 2 2.405 3.700 -2.907
9 HB2 CYS 2 HB2 CYS 2 4.093 4.333 -4.475
10 HB3 CYS 2 HB3 CYS 2 4.871 3.313 -3.269
11 H ARG 3 H ARG 3 1.292 4.642 -4.645
12 HA ARG 3 HA ARG 3 -0.122 2.699 -6.317
13 HB2 ARG 3 HB2 ARG 3 -0.750 5.615 -5.824
14 HB3 ARG 3 HB3 ARG 3 -1.769 4.458 -6.670
15 HG2 ARG 3 HG2 ARG 3 -1.164 3.402 -4.103
16 HG3 ARG 3 HG3 ARG 3 -1.709 5.070 -3.912
17 HD2 ARG 3 HD2 ARG 3 -3.798 4.625 -4.719
18 HD3 ARG 3 HD3 ARG 3 -3.235 3.315 -5.756
19 HE ARG 3 HE ARG 3 -3.006 2.665 -2.989
20 HH11 ARG 3 HH11 ARG 3 -5.244 2.859 -5.648
21 HH12 ARG 3 HH12 ARG 3 -6.318 1.662 -5.002
22 HH21 ARG 3 HH21 ARG 3 -4.411 1.088 -2.128
23 HH22 ARG 3 HH22 ARG 3 -5.843 0.656 -2.999
24 H TYR 4 H TYR 4 -0.550 3.212 -8.567
25 HA TYR 4 HA TYR 4 1.766 4.517 -9.806
26 HB2 TYR 4 HB2 TYR 4 1.101 3.280 -11.847
27 HB3 TYR 4 HB3 TYR 4 1.412 2.212 -10.483
28 HD1 TYR 4 HD2 TYR 4 -0.413 1.005 -9.405
29 HD2 TYR 4 HD1 TYR 4 -1.133 3.536 -12.748
30 HE1 TYR 4 HE2 TYR 4 -2.630 -0.018 -9.694
31 HE2 TYR 4 HE1 TYR 4 -3.353 2.520 -13.046
32 HH TYR 4 HH TYR 4 -5.031 1.172 -11.131
33 H TRP 5 H TRP 5 0.910 5.152 -12.262
34 HA TRP 5 HA TRP 5 -0.254 7.634 -12.014
35 HB2 TRP 5 HB2 TRP 5 0.944 6.562 -14.035
36 HB3 TRP 5 HB3 TRP 5 -0.651 5.967 -14.488
37 HD1 TRP 5 HD1 TRP 5 0.372 9.485 -13.195
38 HE1 TRP 5 HE1 TRP 5 -0.463 11.223 -14.900
39 HE3 TRP 5 HE3 TRP 5 -1.574 6.314 -16.701
40 HZ2 TRP 5 HZ2 TRP 5 -1.775 11.247 -17.399
41 HZ3 TRP 5 HZ3 TRP 5 -2.602 7.275 -18.720
42 HH2 TRP 5 HH2 TRP 5 -2.700 9.691 -19.059
43 H LEU 6 H LEU 6 -2.277 8.429 -11.899
44 HA LEU 6 HA LEU 6 -4.525 8.494 -11.564
45 HB2 LEU 6 HB2 LEU 6 -4.723 6.136 -13.412
46 HB3 LEU 6 HB3 LEU 6 -5.897 7.425 -13.153
47 HG LEU 6 HG LEU 6 -3.298 7.574 -14.667
48 HD11 LEU 6 HD11 LEU 6 -6.162 8.038 -15.484
49 HD12 LEU 6 HD12 LEU 6 -5.190 6.622 -15.878
50 HD13 LEU 6 HD13 LEU 6 -4.747 8.202 -16.524
51 HD21 LEU 6 HD21 LEU 6 -4.146 9.971 -15.098
52 HD22 LEU 6 HD22 LEU 6 -3.309 9.628 -13.584
53 HD23 LEU 6 HD23 LEU 6 -5.069 9.746 -13.613
54 H GLY 7 H GLY 7 -2.811 6.649 -9.949
55 HA2 GLY 7 HA2 GLY 7 -4.357 4.331 -9.339
56 HA3 GLY 7 HA3 GLY 7 -3.037 4.981 -8.378
57 H GLY 8 H GLY 8 -4.046 7.523 -7.817
58 HA2 GLY 8 HA2 GLY 8 -5.960 8.572 -6.808
59 HA3 GLY 8 HA3 GLY 8 -6.573 6.974 -6.409
60 H CYS 9 H CYS 9 -4.168 9.406 -5.592
61 HA CYS 9 HA CYS 9 -3.232 8.010 -3.266
62 HB2 CYS 9 HB2 CYS 9 -1.935 10.011 -2.817
63 HB3 CYS 9 HB3 CYS 9 -1.815 9.609 -4.527
64 H SER 10 H SER 10 -3.127 9.823 -1.268
65 HA SER 10 HA SER 10 -5.719 10.970 -0.750
66 HB2 SER 10 HB2 SER 10 -5.411 8.291 -0.093
67 HB3 SER 10 HB3 SER 10 -5.102 9.127 1.428
68 HG SER 10 HG SER 10 -7.285 8.812 1.308
69 H ALA 11 H ALA 11 -5.633 11.264 1.952
70 HA ALA 11 HA ALA 11 -3.602 13.246 2.266
71 HB1 ALA 11 HB1 ALA 11 -5.258 13.997 3.556
72 HB2 ALA 11 HB2 ALA 11 -5.990 12.397 3.689
73 HB3 ALA 11 HB3 ALA 11 -4.677 12.859 4.773
74 H GLY 12 H GLY 12 -3.851 9.892 3.026
75 HA2 GLY 12 HA2 GLY 12 -1.302 10.079 4.510
76 HA3 GLY 12 HA3 GLY 12 -2.580 8.975 4.995
77 H GLN 13 H GLN 13 -2.073 9.455 1.621
78 HA GLN 13 HA GLN 13 -0.862 6.777 1.461
79 HB2 GLN 13 HB2 GLN 13 -2.957 8.146 -0.088
80 HB3 GLN 13 HB3 GLN 13 -1.776 7.279 -1.061
81 HG2 GLN 13 HG2 GLN 13 -2.220 5.267 0.363
82 HG3 GLN 13 HG3 GLN 13 -3.550 6.165 1.093
83 HE21 GLN 13 HE21 GLN 13 -2.377 5.847 -2.239
84 HE22 GLN 13 HE22 GLN 13 -3.885 5.325 -2.902
85 H THR 14 H THR 14 0.318 6.527 -0.778
86 HA THR 14 HA THR 14 1.916 8.914 -1.362
87 HB THR 14 HB THR 14 3.365 6.313 -1.157
88 HG1 THR 14 HG1 THR 14 2.287 6.502 0.855
89 HG21 THR 14 HG21 THR 14 4.998 8.208 -0.160
90 HG22 THR 14 HG22 THR 14 3.978 9.203 -1.199
91 HG23 THR 14 HG23 THR 14 4.872 7.844 -1.880
92 H CYS 15 H CYS 15 3.322 8.566 -3.320
93 HA CYS 15 HA CYS 15 1.976 6.780 -5.241
94 HB2 CYS 15 HB2 CYS 15 3.094 9.550 -5.719
95 HB3 CYS 15 HB3 CYS 15 2.493 8.483 -6.983
96 H CYS 16 H CYS 16 3.235 5.611 -6.628
97 HA CYS 16 HA CYS 16 5.795 4.871 -5.879
98 HB2 CYS 16 HB2 CYS 16 4.479 4.692 -8.596
99 HB3 CYS 16 HB3 CYS 16 5.971 3.865 -8.162
100 H LYS 17 H LYS 17 7.716 4.983 -7.513
101 HA LYS 17 HA LYS 17 8.674 7.619 -7.512
102 HB2 LYS 17 HB2 LYS 17 9.982 5.401 -7.595
103 HB3 LYS 17 HB3 LYS 17 9.731 5.469 -9.334
104 HG2 LYS 17 HG2 LYS 17 11.203 7.160 -9.621
105 HG3 LYS 17 HG3 LYS 17 10.827 7.900 -8.063
106 HD2 LYS 17 HD2 LYS 17 11.984 5.455 -7.417
107 HD3 LYS 17 HD3 LYS 17 12.942 6.054 -8.773
108 HE2 LYS 17 HE2 LYS 17 12.257 7.927 -6.560
109 HE3 LYS 17 HE3 LYS 17 13.513 6.720 -6.288
110 HZ1 LYS 17 HZ1 LYS 17 14.555 7.566 -8.393
111 HZ2 LYS 17 HZ2 LYS 17 14.586 8.640 -7.087
112 HZ3 LYS 17 HZ3 LYS 17 13.466 8.860 -8.336
113 H HIS 18 H HIS 18 9.273 8.962 -9.324
114 HA HIS 18 HA HIS 18 8.829 10.122 -11.230
115 HB2 HIS 18 HB2 HIS 18 8.510 7.296 -12.008
116 HB3 HIS 18 HB3 HIS 18 7.705 8.450 -13.067
117 HD1 HIS 18 HD1 HIS 18 9.159 8.857 -15.014
118 HD2 HIS 18 HD2 HIS 18 11.351 8.551 -11.498
119 HE1 HIS 18 HE1 HIS 18 11.550 9.276 -15.674
120 H LEU 19 H LEU 19 6.722 9.549 -9.126
121 HA LEU 19 HA LEU 19 4.493 10.667 -10.651
122 HB2 LEU 19 HB2 LEU 19 4.223 8.341 -8.752
123 HB3 LEU 19 HB3 LEU 19 2.888 9.202 -9.515
124 HG LEU 19 HG LEU 19 4.930 7.940 -11.273
125 HD11 LEU 19 HD11 LEU 19 3.499 6.481 -9.275
126 HD12 LEU 19 HD12 LEU 19 4.618 5.887 -10.501
127 HD13 LEU 19 HD13 LEU 19 2.900 6.036 -10.873
128 HD21 LEU 19 HD21 LEU 19 3.239 9.175 -12.371
129 HD22 LEU 19 HD22 LEU 19 1.968 8.457 -11.380
130 HD23 LEU 19 HD23 LEU 19 2.817 7.474 -12.575
131 H VAL 20 H VAL 20 2.879 11.715 -9.288
132 HA VAL 20 HA VAL 20 3.752 12.321 -6.560
133 HB VAL 20 HB VAL 20 3.290 14.752 -6.947
134 HG11 VAL 20 HG11 VAL 20 5.578 13.289 -8.179
135 HG12 VAL 20 HG12 VAL 20 5.466 15.039 -8.382
136 HG13 VAL 20 HG13 VAL 20 5.543 14.341 -6.764
137 HG21 VAL 20 HG21 VAL 20 3.513 15.511 -9.342
138 HG22 VAL 20 HG22 VAL 20 3.229 13.836 -9.815
139 HG23 VAL 20 HG23 VAL 20 1.989 14.725 -8.931
140 H CYS 21 H CYS 21 2.110 12.805 -5.147
141 HA CYS 21 HA CYS 21 -0.500 11.931 -5.848
142 HB2 CYS 21 HB2 CYS 21 0.267 11.586 -3.599
143 HB3 CYS 21 HB3 CYS 21 0.580 13.305 -3.383
144 H SER 22 H SER 22 -1.426 13.182 -7.418
145 HA SER 22 HA SER 22 -1.433 16.043 -7.309
146 HB2 SER 22 HB2 SER 22 -1.638 14.500 -9.387
147 HB3 SER 22 HB3 SER 22 -3.348 14.418 -8.965
148 HG SER 22 HG SER 22 -1.919 16.460 -10.091
149 H ARG 23 H ARG 23 -2.444 16.915 -5.587
150 HA ARG 23 HA ARG 23 -4.814 15.856 -4.428
151 HB2 ARG 23 HB2 ARG 23 -3.822 18.685 -4.115
152 HB3 ARG 23 HB3 ARG 23 -4.767 17.736 -2.976
153 HG2 ARG 23 HG2 ARG 23 -2.837 17.314 -1.958
154 HG3 ARG 23 HG3 ARG 23 -2.497 16.223 -3.302
155 HD2 ARG 23 HD2 ARG 23 -1.705 18.517 -4.414
156 HD3 ARG 23 HD3 ARG 23 -1.429 18.925 -2.721
157 HE ARG 23 HE ARG 23 0.081 17.091 -4.326
158 HH11 ARG 23 HH11 ARG 23 -0.896 17.895 -1.083
159 HH12 ARG 23 HH12 ARG 23 0.467 17.124 -0.341
160 HH21 ARG 23 HH21 ARG 23 1.880 16.073 -3.362
161 HH22 ARG 23 HH22 ARG 23 2.046 16.089 -1.638
162 H ARG 24 H ARG 24 -4.209 17.890 -7.113
163 HA ARG 24 HA ARG 24 -6.829 19.127 -7.094
164 HB2 ARG 24 HB2 ARG 24 -4.485 19.234 -8.982
165 HB3 ARG 24 HB3 ARG 24 -6.034 19.959 -9.388
166 HG2 ARG 24 HG2 ARG 24 -5.566 20.974 -6.896
167 HG3 ARG 24 HG3 ARG 24 -3.942 20.887 -7.580
168 HD2 ARG 24 HD2 ARG 24 -5.584 21.892 -9.617
169 HD3 ARG 24 HD3 ARG 24 -6.067 22.738 -8.148
170 HE ARG 24 HE ARG 24 -4.033 23.805 -8.122
171 HH11 ARG 24 HH11 ARG 24 -3.951 21.185 -10.414
172 HH12 ARG 24 HH12 ARG 24 -2.427 21.654 -11.093
173 HH21 ARG 24 HH21 ARG 24 -2.026 24.432 -9.008
174 HH22 ARG 24 HH22 ARG 24 -1.333 23.501 -10.292
175 H HIS 25 H HIS 25 -5.087 16.707 -9.017
176 HA HIS 25 HA HIS 25 -7.359 16.154 -10.686
177 HB2 HIS 25 HB2 HIS 25 -4.608 15.007 -10.389
178 HB3 HIS 25 HB3 HIS 25 -5.829 14.105 -11.282
179 HD1 HIS 25 HD1 HIS 25 -6.523 15.004 -13.578
180 HD2 HIS 25 HD2 HIS 25 -3.744 17.394 -11.621
181 HE1 HIS 25 HE1 HIS 25 -5.705 16.638 -15.306
182 H GLY 26 H GLY 26 -6.013 14.877 -7.734
183 HA2 GLY 26 HA2 GLY 26 -7.200 13.603 -6.161
184 HA3 GLY 26 HA3 GLY 26 -8.389 13.223 -7.398
185 H TRP 27 H TRP 27 -5.139 12.820 -8.354
186 HA TRP 27 HA TRP 27 -4.855 10.109 -7.445
187 HB2 TRP 27 HB2 TRP 27 -4.868 9.083 -9.689
188 HB3 TRP 27 HB3 TRP 27 -6.442 9.747 -9.262
189 HD1 TRP 27 HD1 TRP 27 -3.313 11.122 -11.132
190 HE1 TRP 27 HE1 TRP 27 -4.142 12.397 -13.208
191 HE3 TRP 27 HE3 TRP 27 -8.349 10.493 -10.514
192 HZ2 TRP 27 HZ2 TRP 27 -6.605 13.050 -14.423
193 HZ3 TRP 27 HZ3 TRP 27 -9.873 11.475 -12.178
194 HH2 TRP 27 HH2 TRP 27 -9.017 12.727 -14.091
195 H CYS 28 H CYS 28 -2.852 9.098 -8.309
196 HA CYS 28 HA CYS 28 -0.691 10.915 -8.164
197 HB2 CYS 28 HB2 CYS 28 -0.689 8.034 -9.090
198 HB3 CYS 28 HB3 CYS 28 0.726 8.962 -8.604
199 H VAL 29 H VAL 29 0.283 12.070 -9.691
200 HA VAL 29 HA VAL 29 -0.262 11.396 -12.509
201 HB VAL 29 HB VAL 29 0.168 13.803 -12.998
202 HG11 VAL 29 HG11 VAL 29 -2.008 14.476 -11.511
203 HG12 VAL 29 HG12 VAL 29 -2.068 13.600 -13.041
204 HG13 VAL 29 HG13 VAL 29 -2.117 12.716 -11.515
205 HG21 VAL 29 HG21 VAL 29 0.208 13.992 -9.992
206 HG22 VAL 29 HG22 VAL 29 1.485 14.456 -11.117
207 HG23 VAL 29 HG23 VAL 29 -0.016 15.379 -11.058
208 H TRP 30 H TRP 30 1.444 12.045 -14.047
209 HA TRP 30 HA TRP 30 3.923 10.934 -13.371
210 HB2 TRP 30 HB2 TRP 30 3.121 12.736 -15.661
211 HB3 TRP 30 HB3 TRP 30 4.702 11.970 -15.537
212 HD1 TRP 30 HD1 TRP 30 1.732 11.465 -17.382
213 HE1 TRP 30 HE1 TRP 30 1.311 8.992 -17.960
214 HE3 TRP 30 HE3 TRP 30 4.919 9.294 -14.026
215 HZ2 TRP 30 HZ2 TRP 30 2.211 6.457 -17.105
216 HZ3 TRP 30 HZ3 TRP 30 5.080 6.839 -13.970
217 HH2 TRP 30 HH2 TRP 30 3.752 5.452 -15.478
218 H ASP 31 H ASP 31 5.603 11.719 -12.294
219 HA ASP 31 HA ASP 31 5.619 14.478 -11.445
220 HB2 ASP 31 HB2 ASP 31 6.253 12.599 -9.930
221 HB3 ASP 31 HB3 ASP 31 7.677 12.323 -10.930
222 H GLY 32 H GLY 32 6.625 16.092 -12.442
223 HA2 GLY 32 HA2 GLY 32 8.739 16.933 -13.350
224 HA3 GLY 32 HA3 GLY 32 8.866 15.428 -14.249
225 H THR 33 H THR 33 5.866 15.661 -14.761
226 HA THR 33 HA THR 33 6.046 17.677 -16.905
227 HB THR 33 HB THR 33 6.091 15.391 -17.817
228 HG1 THR 33 HG1 THR 33 3.533 16.460 -18.388
229 HG21 THR 33 HG21 THR 33 4.694 14.455 -15.889
230 HG22 THR 33 HG22 THR 33 4.356 13.831 -17.504
231 HG23 THR 33 HG23 THR 33 3.290 15.036 -16.783
232 H PHE 34 H PHE 34 4.059 16.155 -14.459
233 HA PHE 34 HA PHE 34 1.569 17.203 -15.013
234 HB2 PHE 34 HB2 PHE 34 1.009 16.817 -12.737
235 HB3 PHE 34 HB3 PHE 34 2.209 15.597 -13.151
236 HD1 PHE 34 HD2 PHE 34 4.691 16.261 -12.621
237 HD2 PHE 34 HD1 PHE 34 1.272 18.025 -10.801
238 HE1 PHE 34 HE2 PHE 34 6.078 16.981 -10.720
239 HE2 PHE 34 HE1 PHE 34 2.653 18.749 -8.898
240 HZ PHE 34 HZ PHE 34 5.060 18.226 -8.855
241 H SER 35 H SER 35 0.434 18.957 -13.749
242 HA SER 35 HA SER 35 2.067 21.388 -13.889
243 HB2 SER 35 HB2 SER 35 -0.070 22.593 -14.026
244 HB3 SER 35 HB3 SER 35 0.025 21.341 -15.263
245 HG SER 35 HG SER 35 -1.983 21.546 -13.910
Start of MODEL 14
1 H1 GLU 1 H GLU 1 0.617 -0.991 -0.073
2 HA GLU 1 HA GLU 1 3.178 -0.204 -0.945
3 HB2 GLU 1 HB2 GLU 1 1.180 -2.024 -1.774
4 HB3 GLU 1 HB3 GLU 1 1.534 -1.003 -3.161
5 HG2 GLU 1 HG2 GLU 1 3.863 -2.046 -1.685
6 HG3 GLU 1 HG3 GLU 1 2.898 -3.228 -2.567
7 H CYS 2 H CYS 2 3.640 0.914 -3.017
8 HA CYS 2 HA CYS 2 2.373 3.490 -3.027
9 HB2 CYS 2 HB2 CYS 2 4.056 4.135 -4.596
10 HB3 CYS 2 HB3 CYS 2 4.833 3.091 -3.410
11 H ARG 3 H ARG 3 1.258 4.470 -4.742
12 HA ARG 3 HA ARG 3 -0.184 2.567 -6.435
13 HB2 ARG 3 HB2 ARG 3 -0.782 5.482 -5.901
14 HB3 ARG 3 HB3 ARG 3 -1.819 4.343 -6.748
15 HG2 ARG 3 HG2 ARG 3 -1.200 3.253 -4.199
16 HG3 ARG 3 HG3 ARG 3 -1.724 4.925 -3.983
17 HD2 ARG 3 HD2 ARG 3 -3.783 4.514 -5.084
18 HD3 ARG 3 HD3 ARG 3 -3.233 2.945 -5.671
19 HE ARG 3 HE ARG 3 -3.224 3.055 -2.829
20 HH11 ARG 3 HH11 ARG 3 -5.310 2.691 -5.593
21 HH12 ARG 3 HH12 ARG 3 -6.512 1.789 -4.731
22 HH21 ARG 3 HH21 ARG 3 -4.800 1.870 -1.683
23 HH22 ARG 3 HH22 ARG 3 -6.221 1.324 -2.506
24 H TYR 4 H TYR 4 -0.618 3.114 -8.675
25 HA TYR 4 HA TYR 4 1.703 4.414 -9.909
26 HB2 TYR 4 HB2 TYR 4 1.004 3.219 -11.966
27 HB3 TYR 4 HB3 TYR 4 1.317 2.126 -10.622
28 HD1 TYR 4 HD2 TYR 4 -0.507 0.915 -9.552
29 HD2 TYR 4 HD1 TYR 4 -1.239 3.521 -12.835
30 HE1 TYR 4 HE2 TYR 4 -2.739 -0.079 -9.836
31 HE2 TYR 4 HE1 TYR 4 -3.473 2.535 -13.127
32 HH TYR 4 HH TYR 4 -4.745 0.161 -10.852
33 H TRP 5 H TRP 5 0.841 5.101 -12.347
34 HA TRP 5 HA TRP 5 -0.289 7.593 -12.050
35 HB2 TRP 5 HB2 TRP 5 0.881 6.542 -14.097
36 HB3 TRP 5 HB3 TRP 5 -0.723 5.971 -14.548
37 HD1 TRP 5 HD1 TRP 5 0.355 9.457 -13.213
38 HE1 TRP 5 HE1 TRP 5 -0.477 11.231 -14.882
39 HE3 TRP 5 HE3 TRP 5 -1.671 6.363 -16.743
40 HZ2 TRP 5 HZ2 TRP 5 -1.815 11.308 -17.366
41 HZ3 TRP 5 HZ3 TRP 5 -2.708 7.367 -18.735
42 HH2 TRP 5 HH2 TRP 5 -2.778 9.788 -19.038
43 H LEU 6 H LEU 6 -2.301 8.416 -11.919
44 HA LEU 6 HA LEU 6 -4.546 8.504 -11.566
45 HB2 LEU 6 HB2 LEU 6 -4.788 6.175 -13.444
46 HB3 LEU 6 HB3 LEU 6 -5.942 7.476 -13.160
47 HG LEU 6 HG LEU 6 -3.352 7.610 -14.691
48 HD11 LEU 6 HD11 LEU 6 -6.216 8.127 -15.478
49 HD12 LEU 6 HD12 LEU 6 -5.265 6.704 -15.902
50 HD13 LEU 6 HD13 LEU 6 -4.806 8.288 -16.527
51 HD21 LEU 6 HD21 LEU 6 -5.176 9.848 -13.822
52 HD22 LEU 6 HD22 LEU 6 -3.917 10.000 -15.048
53 HD23 LEU 6 HD23 LEU 6 -3.484 9.621 -13.380
54 H GLY 7 H GLY 7 -2.845 6.614 -9.989
55 HA2 GLY 7 HA2 GLY 7 -4.420 4.309 -9.400
56 HA3 GLY 7 HA3 GLY 7 -3.084 4.927 -8.440
57 H GLY 8 H GLY 8 -4.171 7.532 -7.975
58 HA2 GLY 8 HA2 GLY 8 -6.031 8.566 -6.901
59 HA3 GLY 8 HA3 GLY 8 -6.648 6.970 -6.500
60 H CYS 9 H CYS 9 -4.227 9.392 -5.697
61 HA CYS 9 HA CYS 9 -3.314 7.983 -3.360
62 HB2 CYS 9 HB2 CYS 9 -1.900 9.883 -2.971
63 HB3 CYS 9 HB3 CYS 9 -1.880 9.546 -4.699
64 H SER 10 H SER 10 -3.141 9.791 -1.380
65 HA SER 10 HA SER 10 -5.676 11.066 -0.879
66 HB2 SER 10 HB2 SER 10 -5.778 8.467 -0.325
67 HB3 SER 10 HB3 SER 10 -4.987 8.997 1.159
68 HG SER 10 HG SER 10 -7.508 9.023 0.756
69 H ALA 11 H ALA 11 -5.587 11.369 1.822
70 HA ALA 11 HA ALA 11 -3.458 13.248 2.135
71 HB1 ALA 11 HB1 ALA 11 -5.546 12.259 4.070
72 HB2 ALA 11 HB2 ALA 11 -4.411 13.566 4.409
73 HB3 ALA 11 HB3 ALA 11 -5.593 13.739 3.112
74 H GLY 12 H GLY 12 -3.879 9.916 2.903
75 HA2 GLY 12 HA2 GLY 12 -1.349 9.984 4.428
76 HA3 GLY 12 HA3 GLY 12 -2.681 8.930 4.878
77 H GLN 13 H GLN 13 -2.111 9.404 1.518
78 HA GLN 13 HA GLN 13 -0.991 6.687 1.361
79 HB2 GLN 13 HB2 GLN 13 -3.024 8.129 -0.198
80 HB3 GLN 13 HB3 GLN 13 -1.857 7.244 -1.172
81 HG2 GLN 13 HG2 GLN 13 -2.368 5.231 0.247
82 HG3 GLN 13 HG3 GLN 13 -3.702 6.157 0.933
83 HE21 GLN 13 HE21 GLN 13 -2.422 5.804 -2.356
84 HE22 GLN 13 HE22 GLN 13 -3.918 5.319 -3.071
85 H THR 14 H THR 14 0.204 6.407 -0.868
86 HA THR 14 HA THR 14 1.902 8.737 -1.408
87 HB THR 14 HB THR 14 3.245 6.079 -1.239
88 HG1 THR 14 HG1 THR 14 3.328 6.101 0.916
89 HG21 THR 14 HG21 THR 14 4.825 7.564 -1.896
90 HG22 THR 14 HG22 THR 14 4.925 7.899 -0.168
91 HG23 THR 14 HG23 THR 14 3.963 8.943 -1.214
92 H CYS 15 H CYS 15 3.322 8.344 -3.356
93 HA CYS 15 HA CYS 15 1.938 6.626 -5.310
94 HB2 CYS 15 HB2 CYS 15 3.092 9.387 -5.755
95 HB3 CYS 15 HB3 CYS 15 2.466 8.344 -7.028
96 H CYS 16 H CYS 16 3.188 5.472 -6.723
97 HA CYS 16 HA CYS 16 5.735 4.685 -5.978
98 HB2 CYS 16 HB2 CYS 16 4.417 4.577 -8.697
99 HB3 CYS 16 HB3 CYS 16 5.910 3.736 -8.290
100 H LYS 17 H LYS 17 7.666 4.808 -7.597
101 HA LYS 17 HA LYS 17 8.654 7.432 -7.539
102 HB2 LYS 17 HB2 LYS 17 9.952 5.224 -7.640
103 HB3 LYS 17 HB3 LYS 17 9.689 5.282 -9.378
104 HG2 LYS 17 HG2 LYS 17 11.070 7.101 -9.664
105 HG3 LYS 17 HG3 LYS 17 10.885 7.638 -7.993
106 HD2 LYS 17 HD2 LYS 17 12.250 5.799 -7.213
107 HD3 LYS 17 HD3 LYS 17 12.357 5.146 -8.850
108 HE2 LYS 17 HE2 LYS 17 14.278 6.296 -8.963
109 HE3 LYS 17 HE3 LYS 17 13.239 7.698 -9.215
110 HZ1 LYS 17 HZ1 LYS 17 13.511 7.159 -6.450
111 HZ2 LYS 17 HZ2 LYS 17 13.920 8.559 -7.307
112 HZ3 LYS 17 HZ3 LYS 17 15.041 7.300 -7.159
113 H HIS 18 H HIS 18 9.284 8.801 -9.323
114 HA HIS 18 HA HIS 18 8.866 10.001 -11.210
115 HB2 HIS 18 HB2 HIS 18 8.516 7.195 -12.041
116 HB3 HIS 18 HB3 HIS 18 7.733 8.379 -13.084
117 HD1 HIS 18 HD1 HIS 18 9.213 8.740 -15.025
118 HD2 HIS 18 HD2 HIS 18 11.362 8.465 -11.480
119 HE1 HIS 18 HE1 HIS 18 11.611 9.155 -15.658
120 H LEU 19 H LEU 19 6.737 9.414 -9.129
121 HA LEU 19 HA LEU 19 4.532 10.588 -10.647
122 HB2 LEU 19 HB2 LEU 19 4.224 8.232 -8.792
123 HB3 LEU 19 HB3 LEU 19 2.903 9.123 -9.544
124 HG LEU 19 HG LEU 19 4.936 7.870 -11.318
125 HD11 LEU 19 HD11 LEU 19 3.233 6.405 -9.439
126 HD12 LEU 19 HD12 LEU 19 4.655 5.876 -10.337
127 HD13 LEU 19 HD13 LEU 19 3.075 5.898 -11.121
128 HD21 LEU 19 HD21 LEU 19 2.859 7.474 -12.662
129 HD22 LEU 19 HD22 LEU 19 3.238 9.171 -12.364
130 HD23 LEU 19 HD23 LEU 19 1.969 8.373 -11.433
131 H VAL 20 H VAL 20 2.944 11.661 -9.293
132 HA VAL 20 HA VAL 20 3.813 12.208 -6.547
133 HB VAL 20 HB VAL 20 3.353 14.645 -6.903
134 HG11 VAL 20 HG11 VAL 20 5.555 14.922 -7.110
135 HG12 VAL 20 HG12 VAL 20 5.655 13.179 -7.366
136 HG13 VAL 20 HG13 VAL 20 5.558 14.270 -8.749
137 HG21 VAL 20 HG21 VAL 20 2.048 14.643 -8.884
138 HG22 VAL 20 HG22 VAL 20 3.570 15.436 -9.288
139 HG23 VAL 20 HG23 VAL 20 3.288 13.767 -9.782
140 H CYS 21 H CYS 21 2.177 12.706 -5.124
141 HA CYS 21 HA CYS 21 -0.439 11.838 -5.828
142 HB2 CYS 21 HB2 CYS 21 0.334 11.458 -3.587
143 HB3 CYS 21 HB3 CYS 21 0.654 13.173 -3.348
144 H SER 22 H SER 22 -1.367 13.115 -7.376
145 HA SER 22 HA SER 22 -1.359 15.972 -7.234
146 HB2 SER 22 HB2 SER 22 -1.595 14.453 -9.326
147 HB3 SER 22 HB3 SER 22 -3.301 14.377 -8.887
148 HG SER 22 HG SER 22 -1.773 16.680 -9.516
149 H ARG 23 H ARG 23 -2.351 16.846 -5.505
150 HA ARG 23 HA ARG 23 -4.709 15.789 -4.321
151 HB2 ARG 23 HB2 ARG 23 -3.652 18.600 -4.022
152 HB3 ARG 23 HB3 ARG 23 -4.663 17.710 -2.892
153 HG2 ARG 23 HG2 ARG 23 -2.855 16.994 -1.845
154 HG3 ARG 23 HG3 ARG 23 -2.318 16.187 -3.320
155 HD2 ARG 23 HD2 ARG 23 -0.931 17.912 -3.922
156 HD3 ARG 23 HD3 ARG 23 -1.885 19.120 -3.061
157 HE ARG 23 HE ARG 23 -0.726 17.347 -1.209
158 HH11 ARG 23 HH11 ARG 23 0.145 19.900 -3.411
159 HH12 ARG 23 HH12 ARG 23 1.524 20.401 -2.489
160 HH21 ARG 23 HH21 ARG 23 1.087 17.998 0.012
161 HH22 ARG 23 HH22 ARG 23 2.060 19.318 -0.543
162 H ARG 24 H ARG 24 -4.123 17.871 -6.985
163 HA ARG 24 HA ARG 24 -6.745 19.095 -6.937
164 HB2 ARG 24 HB2 ARG 24 -4.390 19.234 -8.800
165 HB3 ARG 24 HB3 ARG 24 -5.949 19.902 -9.265
166 HG2 ARG 24 HG2 ARG 24 -5.307 20.830 -6.652
167 HG3 ARG 24 HG3 ARG 24 -3.922 21.098 -7.712
168 HD2 ARG 24 HD2 ARG 24 -6.736 21.889 -8.431
169 HD3 ARG 24 HD3 ARG 24 -5.607 22.970 -7.615
170 HE ARG 24 HE ARG 24 -4.559 21.843 -10.038
171 HH11 ARG 24 HH11 ARG 24 -6.487 24.406 -8.683
172 HH12 ARG 24 HH12 ARG 24 -6.211 25.489 -10.006
173 HH21 ARG 24 HH21 ARG 24 -4.189 23.260 -11.786
174 HH22 ARG 24 HH22 ARG 24 -4.905 24.837 -11.771
175 H HIS 25 H HIS 25 -5.018 16.715 -8.929
176 HA HIS 25 HA HIS 25 -7.304 16.170 -10.573
177 HB2 HIS 25 HB2 HIS 25 -4.557 15.009 -10.298
178 HB3 HIS 25 HB3 HIS 25 -5.786 14.118 -11.190
179 HD1 HIS 25 HD1 HIS 25 -6.522 15.067 -13.463
180 HD2 HIS 25 HD2 HIS 25 -3.654 17.369 -11.530
181 HE1 HIS 25 HE1 HIS 25 -5.697 16.701 -15.188
182 H GLY 26 H GLY 26 -5.936 14.851 -7.645
183 HA2 GLY 26 HA2 GLY 26 -7.116 13.571 -6.072
184 HA3 GLY 26 HA3 GLY 26 -8.324 13.218 -7.298
185 H TRP 27 H TRP 27 -5.088 12.793 -8.294
186 HA TRP 27 HA TRP 27 -4.825 10.067 -7.425
187 HB2 TRP 27 HB2 TRP 27 -4.870 9.072 -9.682
188 HB3 TRP 27 HB3 TRP 27 -6.433 9.749 -9.232
189 HD1 TRP 27 HD1 TRP 27 -3.305 11.113 -11.110
190 HE1 TRP 27 HE1 TRP 27 -4.137 12.424 -13.163
191 HE3 TRP 27 HE3 TRP 27 -8.342 10.531 -10.458
192 HZ2 TRP 27 HZ2 TRP 27 -6.602 13.120 -14.348
193 HZ3 TRP 27 HZ3 TRP 27 -9.869 11.552 -12.096
194 HH2 TRP 27 HH2 TRP 27 -9.015 12.819 -14.000
195 H CYS 28 H CYS 28 -2.840 9.049 -8.310
196 HA CYS 28 HA CYS 28 -0.658 10.837 -8.162
197 HB2 CYS 28 HB2 CYS 28 -0.686 7.976 -9.147
198 HB3 CYS 28 HB3 CYS 28 0.735 8.880 -8.634
199 H VAL 29 H VAL 29 0.314 12.008 -9.678
200 HA VAL 29 HA VAL 29 -0.263 11.388 -12.502
201 HB VAL 29 HB VAL 29 0.193 13.800 -12.951
202 HG11 VAL 29 HG11 VAL 29 -2.093 12.752 -11.407
203 HG12 VAL 29 HG12 VAL 29 -1.968 14.509 -11.517
204 HG13 VAL 29 HG13 VAL 29 -2.051 13.536 -12.986
205 HG21 VAL 29 HG21 VAL 29 0.244 13.936 -9.941
206 HG22 VAL 29 HG22 VAL 29 1.525 14.401 -11.061
207 HG23 VAL 29 HG23 VAL 29 0.036 15.343 -10.984
208 H TRP 30 H TRP 30 1.434 12.016 -14.046
209 HA TRP 30 HA TRP 30 3.910 10.884 -13.396
210 HB2 TRP 30 HB2 TRP 30 3.069 12.675 -15.677
211 HB3 TRP 30 HB3 TRP 30 4.672 11.954 -15.568
212 HD1 TRP 30 HD1 TRP 30 1.705 11.363 -17.388
213 HE1 TRP 30 HE1 TRP 30 1.345 8.879 -17.957
214 HE3 TRP 30 HE3 TRP 30 4.972 9.286 -14.049
215 HZ2 TRP 30 HZ2 TRP 30 2.317 6.371 -17.102
216 HZ3 TRP 30 HZ3 TRP 30 5.197 6.837 -13.989
217 HH2 TRP 30 HH2 TRP 30 3.896 5.411 -15.484
218 H ASP 31 H ASP 31 5.431 11.663 -12.107
219 HA ASP 31 HA ASP 31 5.523 14.385 -11.283
220 HB2 ASP 31 HB2 ASP 31 6.244 12.552 -9.815
221 HB3 ASP 31 HB3 ASP 31 7.567 12.184 -10.918
222 H GLY 32 H GLY 32 6.365 16.043 -12.349
223 HA2 GLY 32 HA2 GLY 32 8.379 17.043 -13.293
224 HA3 GLY 32 HA3 GLY 32 8.653 15.531 -14.144
225 H THR 33 H THR 33 5.608 15.534 -14.631
226 HA THR 33 HA THR 33 5.711 17.339 -16.958
227 HB THR 33 HB THR 33 4.307 15.847 -18.166
228 HG1 THR 33 HG1 THR 33 3.018 14.453 -17.203
229 HG21 THR 33 HG21 THR 33 5.723 14.039 -18.466
230 HG22 THR 33 HG22 THR 33 6.064 13.887 -16.742
231 HG23 THR 33 HG23 THR 33 6.786 15.200 -17.672
232 H PHE 34 H PHE 34 3.711 16.138 -14.321
233 HA PHE 34 HA PHE 34 1.293 17.335 -14.895
234 HB2 PHE 34 HB2 PHE 34 0.760 17.137 -12.583
235 HB3 PHE 34 HB3 PHE 34 1.833 15.793 -12.959
236 HD1 PHE 34 HD2 PHE 34 4.357 16.187 -12.482
237 HD2 PHE 34 HD1 PHE 34 1.210 18.483 -10.767
238 HE1 PHE 34 HE2 PHE 34 5.858 16.876 -10.659
239 HE2 PHE 34 HE1 PHE 34 2.706 19.176 -8.941
240 HZ PHE 34 HZ PHE 34 5.033 18.372 -8.884
241 H SER 35 H SER 35 0.315 19.242 -13.741
242 HA SER 35 HA SER 35 0.196 21.489 -13.408
243 HB2 SER 35 HB2 SER 35 1.904 20.845 -11.607
244 HB3 SER 35 HB3 SER 35 3.132 21.452 -12.718
245 HG SER 35 HG SER 35 2.646 23.229 -11.624
Start of MODEL 15
1 H1 GLU 1 H GLU 1 0.549 0.693 0.253
2 HA GLU 1 HA GLU 1 3.148 0.039 -0.733
3 HB2 GLU 1 HB2 GLU 1 0.952 -1.657 -1.493
4 HB3 GLU 1 HB3 GLU 1 1.554 -0.797 -2.903
5 HG2 GLU 1 HG2 GLU 1 3.570 -2.033 -1.132
6 HG3 GLU 1 HG3 GLU 1 2.556 -3.121 -2.079
7 H CYS 2 H CYS 2 3.611 1.104 -2.802
8 HA CYS 2 HA CYS 2 2.366 3.688 -2.903
9 HB2 CYS 2 HB2 CYS 2 4.057 4.264 -4.490
10 HB3 CYS 2 HB3 CYS 2 4.823 3.256 -3.267
11 H ARG 3 H ARG 3 1.260 4.617 -4.651
12 HA ARG 3 HA ARG 3 -0.195 2.669 -6.280
13 HB2 ARG 3 HB2 ARG 3 -0.767 5.606 -5.850
14 HB3 ARG 3 HB3 ARG 3 -1.814 4.447 -6.658
15 HG2 ARG 3 HG2 ARG 3 -1.206 3.444 -4.070
16 HG3 ARG 3 HG3 ARG 3 -1.721 5.125 -3.917
17 HD2 ARG 3 HD2 ARG 3 -3.587 3.491 -3.787
18 HD3 ARG 3 HD3 ARG 3 -3.763 4.669 -5.087
19 HE ARG 3 HE ARG 3 -2.495 2.347 -6.064
20 HH11 ARG 3 HH11 ARG 3 -5.598 3.496 -4.984
21 HH12 ARG 3 HH12 ARG 3 -6.496 2.383 -5.961
22 HH21 ARG 3 HH21 ARG 3 -3.666 0.876 -7.355
23 HH22 ARG 3 HH22 ARG 3 -5.396 0.892 -7.308
24 H TYR 4 H TYR 4 -0.623 3.144 -8.539
25 HA TYR 4 HA TYR 4 1.711 4.378 -9.813
26 HB2 TYR 4 HB2 TYR 4 1.012 3.116 -11.827
27 HB3 TYR 4 HB3 TYR 4 1.305 2.068 -10.443
28 HD1 TYR 4 HD2 TYR 4 -0.542 0.923 -9.335
29 HD2 TYR 4 HD1 TYR 4 -1.219 3.404 -12.726
30 HE1 TYR 4 HE2 TYR 4 -2.783 -0.056 -9.597
31 HE2 TYR 4 HE1 TYR 4 -3.462 2.432 -12.997
32 HH TYR 4 HH TYR 4 -4.852 0.796 -12.334
33 H TRP 5 H TRP 5 0.853 4.980 -12.279
34 HA TRP 5 HA TRP 5 -0.252 7.492 -12.076
35 HB2 TRP 5 HB2 TRP 5 0.902 6.351 -14.083
36 HB3 TRP 5 HB3 TRP 5 -0.709 5.781 -14.509
37 HD1 TRP 5 HD1 TRP 5 0.406 9.303 -13.306
38 HE1 TRP 5 HE1 TRP 5 -0.409 11.021 -15.041
39 HE3 TRP 5 HE3 TRP 5 -1.651 6.099 -16.718
40 HZ2 TRP 5 HZ2 TRP 5 -1.747 11.018 -17.527
41 HZ3 TRP 5 HZ3 TRP 5 -2.678 7.037 -18.747
42 HH2 TRP 5 HH2 TRP 5 -2.725 9.446 -19.141
43 H LEU 6 H LEU 6 -2.256 8.339 -11.970
44 HA LEU 6 HA LEU 6 -4.498 8.462 -11.611
45 HB2 LEU 6 HB2 LEU 6 -4.774 6.076 -13.411
46 HB3 LEU 6 HB3 LEU 6 -5.908 7.403 -13.170
47 HG LEU 6 HG LEU 6 -3.320 7.442 -14.710
48 HD11 LEU 6 HD11 LEU 6 -4.772 8.093 -16.560
49 HD12 LEU 6 HD12 LEU 6 -6.178 7.982 -15.502
50 HD13 LEU 6 HD13 LEU 6 -5.250 6.534 -15.888
51 HD21 LEU 6 HD21 LEU 6 -3.309 9.506 -13.578
52 HD22 LEU 6 HD22 LEU 6 -5.050 9.712 -13.766
53 HD23 LEU 6 HD23 LEU 6 -3.989 9.849 -15.169
54 H GLY 7 H GLY 7 -2.815 6.607 -9.976
55 HA2 GLY 7 HA2 GLY 7 -4.407 4.336 -9.312
56 HA3 GLY 7 HA3 GLY 7 -3.068 4.976 -8.370
57 H GLY 8 H GLY 8 -4.123 7.597 -7.978
58 HA2 GLY 8 HA2 GLY 8 -5.987 8.679 -6.948
59 HA3 GLY 8 HA3 GLY 8 -6.608 7.100 -6.490
60 H CYS 9 H CYS 9 -4.178 9.540 -5.776
61 HA CYS 9 HA CYS 9 -3.271 8.210 -3.390
62 HB2 CYS 9 HB2 CYS 9 -1.832 10.100 -3.078
63 HB3 CYS 9 HB3 CYS 9 -1.835 9.719 -4.798
64 H SER 10 H SER 10 -3.085 10.075 -1.472
65 HA SER 10 HA SER 10 -5.603 11.401 -1.020
66 HB2 SER 10 HB2 SER 10 -5.418 8.725 -0.230
67 HB3 SER 10 HB3 SER 10 -5.158 9.648 1.250
68 HG SER 10 HG SER 10 -7.411 9.143 0.651
69 H ALA 11 H ALA 11 -5.516 11.791 1.669
70 HA ALA 11 HA ALA 11 -3.364 13.650 1.927
71 HB1 ALA 11 HB1 ALA 11 -5.381 14.314 2.922
72 HB2 ALA 11 HB2 ALA 11 -5.572 12.776 3.765
73 HB3 ALA 11 HB3 ALA 11 -4.323 13.912 4.275
74 H GLY 12 H GLY 12 -3.831 10.351 2.805
75 HA2 GLY 12 HA2 GLY 12 -1.302 10.436 4.332
76 HA3 GLY 12 HA3 GLY 12 -2.648 9.411 4.808
77 H GLN 13 H GLN 13 -2.063 9.776 1.438
78 HA GLN 13 HA GLN 13 -0.967 7.046 1.368
79 HB2 GLN 13 HB2 GLN 13 -2.989 8.453 -0.238
80 HB3 GLN 13 HB3 GLN 13 -1.831 7.525 -1.181
81 HG2 GLN 13 HG2 GLN 13 -2.360 5.566 0.306
82 HG3 GLN 13 HG3 GLN 13 -3.685 6.527 0.961
83 HE21 GLN 13 HE21 GLN 13 -2.411 6.049 -2.315
84 HE22 GLN 13 HE22 GLN 13 -3.912 5.554 -3.012
85 H THR 14 H THR 14 0.234 6.679 -0.839
86 HA THR 14 HA THR 14 1.944 8.981 -1.461
87 HB THR 14 HB THR 14 3.270 6.322 -1.206
88 HG1 THR 14 HG1 THR 14 3.037 8.038 1.038
89 HG21 THR 14 HG21 THR 14 4.006 9.180 -1.272
90 HG22 THR 14 HG22 THR 14 4.860 7.774 -1.906
91 HG23 THR 14 HG23 THR 14 4.959 8.165 -0.190
92 H CYS 15 H CYS 15 3.361 8.513 -3.394
93 HA CYS 15 HA CYS 15 1.964 6.743 -5.291
94 HB2 CYS 15 HB2 CYS 15 3.138 9.480 -5.821
95 HB3 CYS 15 HB3 CYS 15 2.514 8.401 -7.065
96 H CYS 16 H CYS 16 3.205 5.533 -6.665
97 HA CYS 16 HA CYS 16 5.746 4.751 -5.892
98 HB2 CYS 16 HB2 CYS 16 4.426 4.557 -8.606
99 HB3 CYS 16 HB3 CYS 16 5.911 3.719 -8.169
100 H LYS 17 H LYS 17 7.674 4.801 -7.521
101 HA LYS 17 HA LYS 17 8.684 7.417 -7.554
102 HB2 LYS 17 HB2 LYS 17 9.873 5.069 -7.675
103 HB3 LYS 17 HB3 LYS 17 9.771 5.338 -9.410
104 HG2 LYS 17 HG2 LYS 17 11.729 6.377 -9.165
105 HG3 LYS 17 HG3 LYS 17 10.770 7.719 -8.537
106 HD2 LYS 17 HD2 LYS 17 12.156 7.519 -6.764
107 HD3 LYS 17 HD3 LYS 17 11.035 6.237 -6.300
108 HE2 LYS 17 HE2 LYS 17 12.755 4.828 -6.309
109 HE3 LYS 17 HE3 LYS 17 12.852 5.041 -8.056
110 HZ1 LYS 17 HZ1 LYS 17 14.924 5.499 -6.641
111 HZ2 LYS 17 HZ2 LYS 17 14.165 6.956 -6.239
112 HZ3 LYS 17 HZ3 LYS 17 14.523 6.607 -7.855
113 H HIS 18 H HIS 18 9.327 8.715 -9.389
114 HA HIS 18 HA HIS 18 8.915 9.852 -11.315
115 HB2 HIS 18 HB2 HIS 18 8.530 7.021 -12.048
116 HB3 HIS 18 HB3 HIS 18 7.767 8.180 -13.133
117 HD1 HIS 18 HD1 HIS 18 9.235 8.721 -15.032
118 HD2 HIS 18 HD2 HIS 18 11.416 8.000 -11.570
119 HE1 HIS 18 HE1 HIS 18 11.646 9.011 -15.684
120 H LEU 19 H LEU 19 6.784 9.355 -9.212
121 HA LEU 19 HA LEU 19 4.586 10.494 -10.767
122 HB2 LEU 19 HB2 LEU 19 4.259 8.213 -8.824
123 HB3 LEU 19 HB3 LEU 19 2.946 9.085 -9.611
124 HG LEU 19 HG LEU 19 4.975 7.736 -11.323
125 HD11 LEU 19 HD11 LEU 19 3.249 6.378 -9.395
126 HD12 LEU 19 HD12 LEU 19 4.643 5.779 -10.293
127 HD13 LEU 19 HD13 LEU 19 3.053 5.818 -11.056
128 HD21 LEU 19 HD21 LEU 19 3.326 9.012 -12.455
129 HD22 LEU 19 HD22 LEU 19 2.026 8.318 -11.485
130 HD23 LEU 19 HD23 LEU 19 2.883 7.316 -12.658
131 H VAL 20 H VAL 20 2.999 11.614 -9.440
132 HA VAL 20 HA VAL 20 3.885 12.262 -6.723
133 HB VAL 20 HB VAL 20 3.362 14.699 -7.217
134 HG11 VAL 20 HG11 VAL 20 5.754 13.491 -8.602
135 HG12 VAL 20 HG12 VAL 20 5.601 15.157 -8.039
136 HG13 VAL 20 HG13 VAL 20 5.636 13.831 -6.876
137 HG21 VAL 20 HG21 VAL 20 2.618 13.659 -9.691
138 HG22 VAL 20 HG22 VAL 20 2.771 15.362 -9.259
139 HG23 VAL 20 HG23 VAL 20 4.131 14.513 -9.994
140 H CYS 21 H CYS 21 2.257 12.828 -5.314
141 HA CYS 21 HA CYS 21 -0.367 11.952 -5.979
142 HB2 CYS 21 HB2 CYS 21 0.411 11.639 -3.730
143 HB3 CYS 21 HB3 CYS 21 0.745 13.358 -3.548
144 H SER 22 H SER 22 -1.290 13.185 -7.565
145 HA SER 22 HA SER 22 -1.255 16.041 -7.533
146 HB2 SER 22 HB2 SER 22 -1.540 14.456 -9.560
147 HB3 SER 22 HB3 SER 22 -3.238 14.393 -9.086
148 HG SER 22 HG SER 22 -1.752 16.730 -9.713
149 H ARG 23 H ARG 23 -2.170 16.923 -5.746
150 HA ARG 23 HA ARG 23 -4.518 15.972 -4.495
151 HB2 ARG 23 HB2 ARG 23 -3.462 18.796 -4.361
152 HB3 ARG 23 HB3 ARG 23 -4.430 17.953 -3.159
153 HG2 ARG 23 HG2 ARG 23 -2.536 16.389 -2.808
154 HG3 ARG 23 HG3 ARG 23 -1.573 17.378 -3.908
155 HD2 ARG 23 HD2 ARG 23 -2.910 18.861 -1.754
156 HD3 ARG 23 HD3 ARG 23 -1.684 17.715 -1.214
157 HE ARG 23 HE ARG 23 -0.780 19.371 -3.365
158 HH11 ARG 23 HH11 ARG 23 -1.245 19.212 0.081
159 HH12 ARG 23 HH12 ARG 23 -0.019 20.386 0.432
160 HH21 ARG 23 HH21 ARG 23 0.836 20.917 -2.916
161 HH22 ARG 23 HH22 ARG 23 1.163 21.355 -1.274
162 H ARG 24 H ARG 24 -3.999 17.909 -7.277
163 HA ARG 24 HA ARG 24 -6.628 19.127 -7.224
164 HB2 ARG 24 HB2 ARG 24 -4.317 19.210 -9.146
165 HB3 ARG 24 HB3 ARG 24 -5.888 19.869 -9.581
166 HG2 ARG 24 HG2 ARG 24 -4.264 20.721 -7.194
167 HG3 ARG 24 HG3 ARG 24 -4.327 21.572 -8.739
168 HD2 ARG 24 HD2 ARG 24 -6.083 22.694 -7.965
169 HD3 ARG 24 HD3 ARG 24 -6.991 21.184 -8.003
170 HE ARG 24 HE ARG 24 -6.934 21.165 -5.725
171 HH11 ARG 24 HH11 ARG 24 -4.363 23.209 -6.880
172 HH12 ARG 24 HH12 ARG 24 -3.894 23.734 -5.297
173 HH21 ARG 24 HH21 ARG 24 -6.326 21.849 -3.636
174 HH22 ARG 24 HH22 ARG 24 -5.011 22.959 -3.453
175 H HIS 25 H HIS 25 -4.902 16.839 -9.344
176 HA HIS 25 HA HIS 25 -7.191 16.173 -10.879
177 HB2 HIS 25 HB2 HIS 25 -4.458 14.989 -10.544
178 HB3 HIS 25 HB3 HIS 25 -5.692 14.096 -11.428
179 HD1 HIS 25 HD1 HIS 25 -6.343 14.959 -13.748
180 HD2 HIS 25 HD2 HIS 25 -3.547 17.344 -11.809
181 HE1 HIS 25 HE1 HIS 25 -5.483 16.546 -15.499
182 H GLY 26 H GLY 26 -5.835 14.944 -7.904
183 HA2 GLY 26 HA2 GLY 26 -7.027 13.730 -6.288
184 HA3 GLY 26 HA3 GLY 26 -8.241 13.349 -7.501
185 H TRP 27 H TRP 27 -5.010 12.856 -8.485
186 HA TRP 27 HA TRP 27 -4.777 10.157 -7.525
187 HB2 TRP 27 HB2 TRP 27 -4.835 9.088 -9.748
188 HB3 TRP 27 HB3 TRP 27 -6.390 9.797 -9.320
189 HD1 TRP 27 HD1 TRP 27 -3.249 11.058 -11.247
190 HE1 TRP 27 HE1 TRP 27 -4.068 12.312 -13.341
191 HE3 TRP 27 HE3 TRP 27 -8.292 10.566 -10.566
192 HZ2 TRP 27 HZ2 TRP 27 -6.527 13.001 -14.544
193 HZ3 TRP 27 HZ3 TRP 27 -9.809 11.551 -12.234
194 HH2 TRP 27 HH2 TRP 27 -8.943 12.743 -14.181
195 H CYS 28 H CYS 28 -2.800 9.093 -8.358
196 HA CYS 28 HA CYS 28 -0.600 10.856 -8.274
197 HB2 CYS 28 HB2 CYS 28 -0.670 7.966 -9.169
198 HB3 CYS 28 HB3 CYS 28 0.769 8.867 -8.699
199 H VAL 29 H VAL 29 0.369 11.983 -9.823
200 HA VAL 29 HA VAL 29 -0.203 11.279 -12.628
201 HB VAL 29 HB VAL 29 0.259 13.675 -13.149
202 HG11 VAL 29 HG11 VAL 29 -2.033 12.657 -11.612
203 HG12 VAL 29 HG12 VAL 29 -1.903 14.414 -11.702
204 HG13 VAL 29 HG13 VAL 29 -1.983 13.458 -13.182
205 HG21 VAL 29 HG21 VAL 29 0.101 15.276 -11.230
206 HG22 VAL 29 HG22 VAL 29 0.310 13.902 -10.145
207 HG23 VAL 29 HG23 VAL 29 1.590 14.331 -11.279
208 H TRP 30 H TRP 30 1.496 11.830 -14.187
209 HA TRP 30 HA TRP 30 3.964 10.714 -13.509
210 HB2 TRP 30 HB2 TRP 30 3.144 12.469 -15.825
211 HB3 TRP 30 HB3 TRP 30 4.740 11.735 -15.698
212 HD1 TRP 30 HD1 TRP 30 1.778 11.140 -17.521
213 HE1 TRP 30 HE1 TRP 30 1.394 8.649 -18.043
214 HE3 TRP 30 HE3 TRP 30 5.001 9.093 -14.122
215 HZ2 TRP 30 HZ2 TRP 30 2.333 6.147 -17.133
216 HZ3 TRP 30 HZ3 TRP 30 5.199 6.643 -14.012
217 HH2 TRP 30 HH2 TRP 30 3.891 5.202 -15.486
218 H ASP 31 H ASP 31 5.509 11.503 -12.257
219 HA ASP 31 HA ASP 31 5.609 14.214 -11.427
220 HB2 ASP 31 HB2 ASP 31 6.415 12.279 -10.067
221 HB3 ASP 31 HB3 ASP 31 7.776 12.120 -11.173
222 H GLY 32 H GLY 32 6.390 15.896 -12.502
223 HA2 GLY 32 HA2 GLY 32 8.356 16.937 -13.502
224 HA3 GLY 32 HA3 GLY 32 8.621 15.439 -14.382
225 H THR 33 H THR 33 5.565 15.398 -14.766
226 HA THR 33 HA THR 33 5.570 17.210 -17.089
227 HB THR 33 HB THR 33 4.108 15.724 -18.229
228 HG1 THR 33 HG1 THR 33 2.835 14.361 -17.205
229 HG21 THR 33 HG21 THR 33 5.774 13.636 -16.951
230 HG22 THR 33 HG22 THR 33 6.628 15.018 -17.639
231 HG23 THR 33 HG23 THR 33 5.571 14.039 -18.655
232 H PHE 34 H PHE 34 3.666 16.031 -14.369
233 HA PHE 34 HA PHE 34 1.242 17.260 -14.847
234 HB2 PHE 34 HB2 PHE 34 0.799 17.067 -12.513
235 HB3 PHE 34 HB3 PHE 34 1.831 15.706 -12.938
236 HD1 PHE 34 HD2 PHE 34 4.336 15.941 -12.486
237 HD2 PHE 34 HD1 PHE 34 1.392 18.506 -10.792
238 HE1 PHE 34 HE2 PHE 34 5.924 16.594 -10.724
239 HE2 PHE 34 HE1 PHE 34 2.976 19.164 -9.028
240 HZ PHE 34 HZ PHE 34 5.245 18.207 -8.991
241 H SER 35 H SER 35 0.356 19.161 -13.544
242 HA SER 35 HA SER 35 2.289 21.385 -13.618
243 HB2 SER 35 HB2 SER 35 -0.460 22.231 -14.007
244 HB3 SER 35 HB3 SER 35 0.959 22.547 -15.005
245 HG SER 35 HG SER 35 -0.131 21.301 -16.337
Start of MODEL 16
1 H1 GLU 1 H GLU 1 0.323 -0.353 -0.724
2 HA GLU 1 HA GLU 1 3.241 0.005 -0.732
3 HB2 GLU 1 HB2 GLU 1 1.656 -1.322 -2.937
4 HB3 GLU 1 HB3 GLU 1 3.394 -1.053 -2.918
5 HG2 GLU 1 HG2 GLU 1 3.440 -2.493 -0.827
6 HG3 GLU 1 HG3 GLU 1 1.786 -2.945 -1.237
7 H CYS 2 H CYS 2 3.800 0.982 -3.075
8 HA CYS 2 HA CYS 2 2.518 3.550 -3.095
9 HB2 CYS 2 HB2 CYS 2 4.179 4.190 -4.690
10 HB3 CYS 2 HB3 CYS 2 4.976 3.163 -3.502
11 H ARG 3 H ARG 3 1.390 4.510 -4.818
12 HA ARG 3 HA ARG 3 -0.063 2.580 -6.473
13 HB2 ARG 3 HB2 ARG 3 -0.672 5.497 -5.958
14 HB3 ARG 3 HB3 ARG 3 -1.711 4.346 -6.788
15 HG2 ARG 3 HG2 ARG 3 -1.066 3.275 -4.239
16 HG3 ARG 3 HG3 ARG 3 -1.593 4.946 -4.027
17 HD2 ARG 3 HD2 ARG 3 -3.664 4.527 -5.085
18 HD3 ARG 3 HD3 ARG 3 -3.116 2.971 -5.705
19 HE ARG 3 HE ARG 3 -3.125 3.135 -2.836
20 HH11 ARG 3 HH11 ARG 3 -5.020 2.437 -5.672
21 HH12 ARG 3 HH12 ARG 3 -6.149 1.429 -4.829
22 HH21 ARG 3 HH21 ARG 3 -4.606 1.810 -1.715
23 HH22 ARG 3 HH22 ARG 3 -5.913 1.074 -2.578
24 H TYR 4 H TYR 4 -0.522 3.101 -8.714
25 HA TYR 4 HA TYR 4 1.778 4.402 -9.984
26 HB2 TYR 4 HB2 TYR 4 1.066 3.184 -12.022
27 HB3 TYR 4 HB3 TYR 4 1.395 2.105 -10.671
28 HD1 TYR 4 HD2 TYR 4 -0.416 0.899 -9.572
29 HD2 TYR 4 HD1 TYR 4 -1.185 3.469 -12.875
30 HE1 TYR 4 HE2 TYR 4 -2.646 -0.106 -9.827
31 HE2 TYR 4 HE1 TYR 4 -3.418 2.472 -13.138
32 HH TYR 4 HH TYR 4 -4.328 -0.383 -11.781
33 H TRP 5 H TRP 5 0.885 5.061 -12.421
34 HA TRP 5 HA TRP 5 -0.252 7.551 -12.136
35 HB2 TRP 5 HB2 TRP 5 0.898 6.484 -14.186
36 HB3 TRP 5 HB3 TRP 5 -0.709 5.901 -14.612
37 HD1 TRP 5 HD1 TRP 5 0.368 9.405 -13.323
38 HE1 TRP 5 HE1 TRP 5 -0.490 11.158 -15.000
39 HE3 TRP 5 HE3 TRP 5 -1.679 6.267 -16.801
40 HZ2 TRP 5 HZ2 TRP 5 -1.855 11.205 -17.471
41 HZ3 TRP 5 HZ3 TRP 5 -2.742 7.246 -18.792
42 HH2 TRP 5 HH2 TRP 5 -2.828 9.664 -19.118
43 H LEU 6 H LEU 6 -2.266 8.365 -11.985
44 HA LEU 6 HA LEU 6 -4.506 8.447 -11.604
45 HB2 LEU 6 HB2 LEU 6 -4.762 6.105 -13.465
46 HB3 LEU 6 HB3 LEU 6 -5.917 7.405 -13.175
47 HG LEU 6 HG LEU 6 -3.345 7.537 -14.737
48 HD11 LEU 6 HD11 LEU 6 -5.265 6.616 -15.923
49 HD12 LEU 6 HD12 LEU 6 -4.826 8.200 -16.560
50 HD13 LEU 6 HD13 LEU 6 -6.221 8.035 -15.494
51 HD21 LEU 6 HD21 LEU 6 -5.147 9.759 -13.795
52 HD22 LEU 6 HD22 LEU 6 -3.994 9.930 -15.119
53 HD23 LEU 6 HD23 LEU 6 -3.421 9.563 -13.491
54 H GLY 7 H GLY 7 -2.780 6.575 -10.035
55 HA2 GLY 7 HA2 GLY 7 -4.333 4.264 -9.414
56 HA3 GLY 7 HA3 GLY 7 -2.994 4.900 -8.469
57 H GLY 8 H GLY 8 -4.043 7.477 -7.953
58 HA2 GLY 8 HA2 GLY 8 -5.932 8.508 -6.896
59 HA3 GLY 8 HA3 GLY 8 -6.516 6.908 -6.464
60 H CYS 9 H CYS 9 -4.122 9.378 -5.732
61 HA CYS 9 HA CYS 9 -3.148 8.014 -3.393
62 HB2 CYS 9 HB2 CYS 9 -1.745 9.922 -3.061
63 HB3 CYS 9 HB3 CYS 9 -1.779 9.601 -4.792
64 H SER 10 H SER 10 -2.978 9.825 -1.427
65 HA SER 10 HA SER 10 -5.516 11.083 -0.903
66 HB2 SER 10 HB2 SER 10 -5.628 8.501 -0.347
67 HB3 SER 10 HB3 SER 10 -4.771 9.000 1.111
68 HG SER 10 HG SER 10 -7.337 9.115 0.703
69 H ALA 11 H ALA 11 -5.399 11.398 1.795
70 HA ALA 11 HA ALA 11 -3.285 13.296 2.077
71 HB1 ALA 11 HB1 ALA 11 -5.551 12.378 3.778
72 HB2 ALA 11 HB2 ALA 11 -4.242 13.298 4.520
73 HB3 ALA 11 HB3 ALA 11 -5.165 13.994 3.188
74 H GLY 12 H GLY 12 -3.666 9.963 2.865
75 HA2 GLY 12 HA2 GLY 12 -1.112 10.059 4.349
76 HA3 GLY 12 HA3 GLY 12 -2.430 8.998 4.828
77 H GLN 13 H GLN 13 -1.914 9.456 1.456
78 HA GLN 13 HA GLN 13 -0.778 6.745 1.298
79 HB2 GLN 13 HB2 GLN 13 -2.847 8.163 -0.238
80 HB3 GLN 13 HB3 GLN 13 -1.691 7.276 -1.223
81 HG2 GLN 13 HG2 GLN 13 -2.166 5.273 0.224
82 HG3 GLN 13 HG3 GLN 13 -3.496 6.197 0.921
83 HE21 GLN 13 HE21 GLN 13 -2.263 5.818 -2.384
84 HE22 GLN 13 HE22 GLN 13 -3.767 5.318 -3.071
85 H THR 14 H THR 14 0.397 6.449 -0.928
86 HA THR 14 HA THR 14 2.060 8.792 -1.523
87 HB THR 14 HB THR 14 3.432 6.150 -1.355
88 HG1 THR 14 HG1 THR 14 2.999 7.823 0.913
89 HG21 THR 14 HG21 THR 14 4.120 9.020 -1.355
90 HG22 THR 14 HG22 THR 14 4.989 7.646 -2.037
91 HG23 THR 14 HG23 THR 14 5.105 7.994 -0.313
92 H CYS 15 H CYS 15 3.457 8.389 -3.487
93 HA CYS 15 HA CYS 15 2.058 6.642 -5.404
94 HB2 CYS 15 HB2 CYS 15 3.191 9.402 -5.907
95 HB3 CYS 15 HB3 CYS 15 2.526 8.344 -7.146
96 H CYS 16 H CYS 16 3.297 5.488 -6.827
97 HA CYS 16 HA CYS 16 5.865 4.736 -6.112
98 HB2 CYS 16 HB2 CYS 16 4.516 4.575 -8.814
99 HB3 CYS 16 HB3 CYS 16 6.009 3.740 -8.399
100 H LYS 17 H LYS 17 7.758 4.852 -7.787
101 HA LYS 17 HA LYS 17 8.724 7.485 -7.779
102 HB2 LYS 17 HB2 LYS 17 9.977 5.198 -7.947
103 HB3 LYS 17 HB3 LYS 17 9.782 5.422 -9.680
104 HG2 LYS 17 HG2 LYS 17 11.573 6.715 -9.705
105 HG3 LYS 17 HG3 LYS 17 10.764 7.852 -8.623
106 HD2 LYS 17 HD2 LYS 17 11.964 5.407 -7.432
107 HD3 LYS 17 HD3 LYS 17 13.056 6.683 -7.975
108 HE2 LYS 17 HE2 LYS 17 12.687 7.682 -6.020
109 HE3 LYS 17 HE3 LYS 17 11.059 8.029 -6.599
110 HZ1 LYS 17 HZ1 LYS 17 11.650 6.598 -4.390
111 HZ2 LYS 17 HZ2 LYS 17 11.373 5.376 -5.526
112 HZ3 LYS 17 HZ3 LYS 17 10.176 6.532 -5.219
113 H HIS 18 H HIS 18 9.306 8.834 -9.596
114 HA HIS 18 HA HIS 18 8.835 10.008 -11.487
115 HB2 HIS 18 HB2 HIS 18 8.482 7.189 -12.275
116 HB3 HIS 18 HB3 HIS 18 7.669 8.356 -13.314
117 HD1 HIS 18 HD1 HIS 18 9.095 8.759 -15.283
118 HD2 HIS 18 HD2 HIS 18 11.341 8.419 -11.804
119 HE1 HIS 18 HE1 HIS 18 11.478 9.162 -15.978
120 H LEU 19 H LEU 19 6.762 9.439 -9.348
121 HA LEU 19 HA LEU 19 4.513 10.576 -10.829
122 HB2 LEU 19 HB2 LEU 19 4.268 8.244 -8.935
123 HB3 LEU 19 HB3 LEU 19 2.921 9.118 -9.661
124 HG LEU 19 HG LEU 19 4.907 7.868 -11.485
125 HD11 LEU 19 HD11 LEU 19 2.912 5.943 -11.030
126 HD12 LEU 19 HD12 LEU 19 3.549 6.387 -9.448
127 HD13 LEU 19 HD13 LEU 19 4.641 5.811 -10.707
128 HD21 LEU 19 HD21 LEU 19 2.754 7.393 -12.716
129 HD22 LEU 19 HD22 LEU 19 3.167 9.096 -12.516
130 HD23 LEU 19 HD23 LEU 19 1.939 8.359 -11.486
131 H VAL 20 H VAL 20 2.928 11.626 -9.430
132 HA VAL 20 HA VAL 20 3.862 12.224 -6.720
133 HB VAL 20 HB VAL 20 3.334 14.666 -7.131
134 HG11 VAL 20 HG11 VAL 20 5.684 13.387 -8.519
135 HG12 VAL 20 HG12 VAL 20 5.548 15.114 -8.181
136 HG13 VAL 20 HG13 VAL 20 5.606 13.956 -6.851
137 HG21 VAL 20 HG21 VAL 20 4.009 14.608 -9.926
138 HG22 VAL 20 HG22 VAL 20 2.535 13.687 -9.630
139 HG23 VAL 20 HG23 VAL 20 2.638 15.372 -9.122
140 H CYS 21 H CYS 21 2.252 12.714 -5.271
141 HA CYS 21 HA CYS 21 -0.374 11.842 -5.914
142 HB2 CYS 21 HB2 CYS 21 0.440 11.493 -3.683
143 HB3 CYS 21 HB3 CYS 21 0.765 13.211 -3.473
144 H SER 22 H SER 22 -1.331 13.096 -7.463
145 HA SER 22 HA SER 22 -1.332 15.956 -7.354
146 HB2 SER 22 HB2 SER 22 -1.589 14.415 -9.426
147 HB3 SER 22 HB3 SER 22 -3.288 14.332 -8.963
148 HG SER 22 HG SER 22 -2.876 16.819 -8.871
149 H ARG 23 H ARG 23 -2.296 16.826 -5.603
150 HA ARG 23 HA ARG 23 -4.640 15.775 -4.388
151 HB2 ARG 23 HB2 ARG 23 -3.580 18.587 -4.114
152 HB3 ARG 23 HB3 ARG 23 -4.578 17.702 -2.968
153 HG2 ARG 23 HG2 ARG 23 -2.729 16.143 -2.574
154 HG3 ARG 23 HG3 ARG 23 -1.730 17.059 -3.704
155 HD2 ARG 23 HD2 ARG 23 -3.022 18.428 -1.379
156 HD3 ARG 23 HD3 ARG 23 -1.534 17.510 -1.151
157 HE ARG 23 HE ARG 23 -1.122 19.212 -3.305
158 HH11 ARG 23 HH11 ARG 23 -1.779 19.455 0.105
159 HH12 ARG 23 HH12 ARG 23 -0.945 20.962 0.292
160 HH21 ARG 23 HH21 ARG 23 -0.021 21.197 -3.072
161 HH22 ARG 23 HH22 ARG 23 0.053 21.953 -1.517
162 H ARG 24 H ARG 24 -4.098 17.809 -7.087
163 HA ARG 24 HA ARG 24 -6.720 19.042 -7.006
164 HB2 ARG 24 HB2 ARG 24 -4.426 19.159 -8.957
165 HB3 ARG 24 HB3 ARG 24 -5.983 19.902 -9.300
166 HG2 ARG 24 HG2 ARG 24 -5.404 20.866 -6.802
167 HG3 ARG 24 HG3 ARG 24 -3.818 20.800 -7.573
168 HD2 ARG 24 HD2 ARG 24 -5.438 21.846 -9.541
169 HD3 ARG 24 HD3 ARG 24 -6.068 22.581 -8.067
170 HE ARG 24 HE ARG 24 -3.361 22.890 -7.885
171 HH11 ARG 24 HH11 ARG 24 -5.791 23.754 -10.224
172 HH12 ARG 24 HH12 ARG 24 -4.947 25.164 -10.774
173 HH21 ARG 24 HH21 ARG 24 -2.240 24.743 -8.600
174 HH22 ARG 24 HH22 ARG 24 -2.927 25.725 -9.850
175 H HIS 25 H HIS 25 -5.005 16.663 -9.009
176 HA HIS 25 HA HIS 25 -7.306 16.104 -10.627
177 HB2 HIS 25 HB2 HIS 25 -4.556 14.941 -10.371
178 HB3 HIS 25 HB3 HIS 25 -5.793 14.059 -11.262
179 HD1 HIS 25 HD1 HIS 25 -6.477 14.969 -13.549
180 HD2 HIS 25 HD2 HIS 25 -3.709 17.357 -11.574
181 HE1 HIS 25 HE1 HIS 25 -5.670 16.622 -15.264
182 H GLY 26 H GLY 26 -5.908 14.804 -7.706
183 HA2 GLY 26 HA2 GLY 26 -7.071 13.526 -6.117
184 HA3 GLY 26 HA3 GLY 26 -8.286 13.161 -7.333
185 H TRP 27 H TRP 27 -5.057 12.747 -8.354
186 HA TRP 27 HA TRP 27 -4.771 10.027 -7.470
187 HB2 TRP 27 HB2 TRP 27 -4.831 9.019 -9.722
188 HB3 TRP 27 HB3 TRP 27 -6.394 9.689 -9.261
189 HD1 TRP 27 HD1 TRP 27 -3.292 11.059 -11.177
190 HE1 TRP 27 HE1 TRP 27 -4.151 12.354 -13.229
191 HE3 TRP 27 HE3 TRP 27 -8.319 10.455 -10.472
192 HZ2 TRP 27 HZ2 TRP 27 -6.631 13.031 -14.394
193 HZ3 TRP 27 HZ3 TRP 27 -9.867 11.458 -12.100
194 HH2 TRP 27 HH2 TRP 27 -9.039 12.720 -14.019
195 H CYS 28 H CYS 28 -2.784 9.020 -8.340
196 HA CYS 28 HA CYS 28 -0.614 10.821 -8.234
197 HB2 CYS 28 HB2 CYS 28 -0.627 7.952 -9.195
198 HB3 CYS 28 HB3 CYS 28 0.788 8.871 -8.691
199 H VAL 29 H VAL 29 0.325 11.993 -9.769
200 HA VAL 29 HA VAL 29 -0.258 11.333 -12.583
201 HB VAL 29 HB VAL 29 0.153 13.743 -13.065
202 HG11 VAL 29 HG11 VAL 29 -2.099 12.658 -11.520
203 HG12 VAL 29 HG12 VAL 29 -1.994 14.419 -11.557
204 HG13 VAL 29 HG13 VAL 29 -2.084 13.508 -13.065
205 HG21 VAL 29 HG21 VAL 29 1.504 14.395 -11.214
206 HG22 VAL 29 HG22 VAL 29 -0.001 15.309 -11.112
207 HG23 VAL 29 HG23 VAL 29 0.259 13.918 -10.060
208 H TRP 30 H TRP 30 1.423 11.996 -14.142
209 HA TRP 30 HA TRP 30 3.911 10.883 -13.519
210 HB2 TRP 30 HB2 TRP 30 3.092 12.734 -15.764
211 HB3 TRP 30 HB3 TRP 30 4.662 11.940 -15.677
212 HD1 TRP 30 HD1 TRP 30 1.685 11.519 -17.513
213 HE1 TRP 30 HE1 TRP 30 1.204 9.065 -18.120
214 HE3 TRP 30 HE3 TRP 30 4.819 9.231 -14.185
215 HZ2 TRP 30 HZ2 TRP 30 2.042 6.498 -17.297
216 HZ3 TRP 30 HZ3 TRP 30 4.920 6.772 -14.159
217 HH2 TRP 30 HH2 TRP 30 3.560 5.436 -15.683
218 H ASP 31 H ASP 31 5.668 11.655 -12.546
219 HA ASP 31 HA ASP 31 5.676 14.378 -11.580
220 HB2 ASP 31 HB2 ASP 31 6.411 12.444 -10.177
221 HB3 ASP 31 HB3 ASP 31 7.796 12.246 -11.247
222 H GLY 32 H GLY 32 6.601 16.044 -12.568
223 HA2 GLY 32 HA2 GLY 32 8.670 16.947 -13.534
224 HA3 GLY 32 HA3 GLY 32 8.759 15.488 -14.508
225 H THR 33 H THR 33 5.735 15.716 -14.851
226 HA THR 33 HA THR 33 5.785 17.837 -16.900
227 HB THR 33 HB THR 33 5.806 15.621 -17.946
228 HG1 THR 33 HG1 THR 33 3.781 15.930 -19.148
229 HG21 THR 33 HG21 THR 33 3.952 14.076 -17.679
230 HG22 THR 33 HG22 THR 33 3.172 15.171 -16.538
231 HG23 THR 33 HG23 THR 33 4.696 14.392 -16.112
232 H PHE 34 H PHE 34 3.935 16.161 -14.443
233 HA PHE 34 HA PHE 34 1.412 17.212 -14.817
234 HB2 PHE 34 HB2 PHE 34 0.966 16.691 -12.544
235 HB3 PHE 34 HB3 PHE 34 2.159 15.512 -13.080
236 HD1 PHE 34 HD2 PHE 34 4.658 16.193 -12.636
237 HD2 PHE 34 HD1 PHE 34 1.304 17.779 -10.551
238 HE1 PHE 34 HE2 PHE 34 6.125 16.826 -10.765
239 HE2 PHE 34 HE1 PHE 34 2.766 18.416 -8.677
240 HZ PHE 34 HZ PHE 34 5.180 17.938 -8.782
241 H SER 35 H SER 35 0.332 18.876 -13.380
242 HA SER 35 HA SER 35 0.026 21.078 -12.893
243 HB2 SER 35 HB2 SER 35 2.047 20.178 -11.275
244 HB3 SER 35 HB3 SER 35 2.794 21.581 -12.037
245 HG SER 35 HG SER 35 0.307 21.549 -10.666
Start of MODEL 17
1 H1 GLU 1 H GLU 1 0.545 0.655 0.183
2 HA GLU 1 HA GLU 1 3.113 0.040 -0.722
3 HB2 GLU 1 HB2 GLU 1 1.360 -1.932 -1.510
4 HB3 GLU 1 HB3 GLU 1 1.388 -0.868 -2.909
5 HG2 GLU 1 HG2 GLU 1 3.854 -1.027 -2.930
6 HG3 GLU 1 HG3 GLU 1 3.757 -2.187 -1.606
7 H CYS 2 H CYS 2 3.594 1.079 -2.866
8 HA CYS 2 HA CYS 2 2.336 3.658 -2.941
9 HB2 CYS 2 HB2 CYS 2 4.022 4.258 -4.524
10 HB3 CYS 2 HB3 CYS 2 4.795 3.238 -3.315
11 H ARG 3 H ARG 3 1.235 4.601 -4.690
12 HA ARG 3 HA ARG 3 -0.215 2.659 -6.333
13 HB2 ARG 3 HB2 ARG 3 -0.807 5.587 -5.865
14 HB3 ARG 3 HB3 ARG 3 -1.845 4.433 -6.692
15 HG2 ARG 3 HG2 ARG 3 -1.241 3.389 -4.123
16 HG3 ARG 3 HG3 ARG 3 -1.750 5.068 -3.936
17 HD2 ARG 3 HD2 ARG 3 -3.690 3.664 -3.812
18 HD3 ARG 3 HD3 ARG 3 -3.742 4.560 -5.330
19 HE ARG 3 HE ARG 3 -3.617 2.576 -6.456
20 HH11 ARG 3 HH11 ARG 3 -2.614 2.069 -3.161
21 HH12 ARG 3 HH12 ARG 3 -2.516 0.347 -3.319
22 HH21 ARG 3 HH21 ARG 3 -3.491 0.309 -6.676
23 HH22 ARG 3 HH22 ARG 3 -3.014 -0.653 -5.319
24 H TYR 4 H TYR 4 -0.638 3.142 -8.586
25 HA TYR 4 HA TYR 4 1.682 4.412 -9.849
26 HB2 TYR 4 HB2 TYR 4 0.985 3.168 -11.876
27 HB3 TYR 4 HB3 TYR 4 1.295 2.108 -10.506
28 HD1 TYR 4 HD1 TYR 4 -0.528 0.921 -9.411
29 HD2 TYR 4 HD2 TYR 4 -1.259 3.451 -12.753
30 HE1 TYR 4 HE1 TYR 4 -2.760 -0.078 -9.672
31 HE2 TYR 4 HE2 TYR 4 -3.493 2.460 -13.022
32 HH TYR 4 HH TYR 4 -4.776 0.626 -12.433
33 H TRP 5 H TRP 5 0.823 5.039 -12.305
34 HA TRP 5 HA TRP 5 -0.304 7.539 -12.072
35 HB2 TRP 5 HB2 TRP 5 0.866 6.435 -14.091
36 HB3 TRP 5 HB3 TRP 5 -0.739 5.855 -14.528
37 HD1 TRP 5 HD1 TRP 5 0.341 9.372 -13.280
38 HE1 TRP 5 HE1 TRP 5 -0.487 11.104 -14.995
39 HE3 TRP 5 HE3 TRP 5 -1.682 6.192 -16.733
40 HZ2 TRP 5 HZ2 TRP 5 -1.822 11.120 -17.482
41 HZ3 TRP 5 HZ3 TRP 5 -2.716 7.146 -18.752
42 HH2 TRP 5 HH2 TRP 5 -2.784 9.559 -19.116
43 H LEU 6 H LEU 6 -2.315 8.368 -11.963
44 HA LEU 6 HA LEU 6 -4.559 8.468 -11.608
45 HB2 LEU 6 HB2 LEU 6 -4.806 6.101 -13.438
46 HB3 LEU 6 HB3 LEU 6 -5.956 7.412 -13.182
47 HG LEU 6 HG LEU 6 -3.364 7.505 -14.713
48 HD11 LEU 6 HD11 LEU 6 -6.226 8.012 -15.514
49 HD12 LEU 6 HD12 LEU 6 -5.277 6.579 -15.908
50 HD13 LEU 6 HD13 LEU 6 -4.816 8.149 -16.564
51 HD21 LEU 6 HD21 LEU 6 -3.973 9.894 -15.133
52 HD22 LEU 6 HD22 LEU 6 -3.454 9.548 -13.483
53 HD23 LEU 6 HD23 LEU 6 -5.169 9.756 -13.844
54 H GLY 7 H GLY 7 -2.863 6.608 -9.991
55 HA2 GLY 7 HA2 GLY 7 -4.436 4.316 -9.357
56 HA3 GLY 7 HA3 GLY 7 -3.107 4.958 -8.404
57 H GLY 8 H GLY 8 -4.111 7.529 -7.892
58 HA2 GLY 8 HA2 GLY 8 -6.017 8.594 -6.886
59 HA3 GLY 8 HA3 GLY 8 -6.623 7.004 -6.448
60 H CYS 9 H CYS 9 -4.215 9.458 -5.706
61 HA CYS 9 HA CYS 9 -3.276 8.110 -3.347
62 HB2 CYS 9 HB2 CYS 9 -1.894 10.041 -2.995
63 HB3 CYS 9 HB3 CYS 9 -1.876 9.676 -4.718
64 H SER 10 H SER 10 -3.126 9.956 -1.398
65 HA SER 10 HA SER 10 -5.682 11.192 -0.906
66 HB2 SER 10 HB2 SER 10 -5.467 8.523 -0.196
67 HB3 SER 10 HB3 SER 10 -5.112 9.373 1.308
68 HG SER 10 HG SER 10 -7.464 8.907 0.342
69 H ALA 11 H ALA 11 -5.586 11.545 1.788
70 HA ALA 11 HA ALA 11 -3.495 13.470 2.058
71 HB1 ALA 11 HB1 ALA 11 -4.586 13.162 4.574
72 HB2 ALA 11 HB2 ALA 11 -5.118 14.303 3.338
73 HB3 ALA 11 HB3 ALA 11 -5.911 12.735 3.490
74 H GLY 12 H GLY 12 -3.847 10.143 2.894
75 HA2 GLY 12 HA2 GLY 12 -1.297 10.286 4.380
76 HA3 GLY 12 HA3 GLY 12 -2.607 9.227 4.880
77 H GLN 13 H GLN 13 -2.084 9.626 1.500
78 HA GLN 13 HA GLN 13 -0.947 6.914 1.394
79 HB2 GLN 13 HB2 GLN 13 -3.003 8.307 -0.177
80 HB3 GLN 13 HB3 GLN 13 -1.837 7.413 -1.144
81 HG2 GLN 13 HG2 GLN 13 -2.318 5.422 0.309
82 HG3 GLN 13 HG3 GLN 13 -3.646 6.349 1.005
83 HE21 GLN 13 HE21 GLN 13 -2.422 5.958 -2.302
84 HE22 GLN 13 HE22 GLN 13 -3.927 5.451 -2.982
85 H THR 14 H THR 14 0.239 6.586 -0.830
86 HA THR 14 HA THR 14 1.915 8.915 -1.439
87 HB THR 14 HB THR 14 3.277 6.271 -1.223
88 HG1 THR 14 HG1 THR 14 3.371 6.336 0.930
89 HG21 THR 14 HG21 THR 14 4.955 8.120 -0.204
90 HG22 THR 14 HG22 THR 14 3.976 9.140 -1.258
91 HG23 THR 14 HG23 THR 14 4.839 7.754 -1.924
92 H CYS 15 H CYS 15 3.323 8.486 -3.389
93 HA CYS 15 HA CYS 15 1.930 6.721 -5.294
94 HB2 CYS 15 HB2 CYS 15 3.086 9.468 -5.813
95 HB3 CYS 15 HB3 CYS 15 2.442 8.398 -7.054
96 H CYS 16 H CYS 16 3.170 5.534 -6.687
97 HA CYS 16 HA CYS 16 5.724 4.768 -5.939
98 HB2 CYS 16 HB2 CYS 16 4.399 4.583 -8.651
99 HB3 CYS 16 HB3 CYS 16 5.880 3.739 -8.210
100 H LYS 17 H LYS 17 7.634 4.843 -7.595
101 HA LYS 17 HA LYS 17 8.623 7.469 -7.616
102 HB2 LYS 17 HB2 LYS 17 9.903 5.233 -7.689
103 HB3 LYS 17 HB3 LYS 17 9.650 5.297 -9.428
104 HG2 LYS 17 HG2 LYS 17 11.161 6.941 -9.726
105 HG3 LYS 17 HG3 LYS 17 10.764 7.732 -8.198
106 HD2 LYS 17 HD2 LYS 17 11.879 5.529 -7.216
107 HD3 LYS 17 HD3 LYS 17 12.707 5.559 -8.774
108 HE2 LYS 17 HE2 LYS 17 14.050 7.196 -8.094
109 HE3 LYS 17 HE3 LYS 17 12.677 8.186 -7.603
110 HZ1 LYS 17 HZ1 LYS 17 12.871 6.258 -5.671
111 HZ2 LYS 17 HZ2 LYS 17 13.374 7.866 -5.534
112 HZ3 LYS 17 HZ3 LYS 17 14.479 6.671 -5.994
113 H HIS 18 H HIS 18 9.234 8.787 -9.445
114 HA HIS 18 HA HIS 18 8.793 9.936 -11.359
115 HB2 HIS 18 HB2 HIS 18 8.428 7.108 -12.109
116 HB3 HIS 18 HB3 HIS 18 7.635 8.265 -13.173
117 HD1 HIS 18 HD1 HIS 18 9.097 8.530 -15.146
118 HD2 HIS 18 HD2 HIS 18 11.278 8.425 -11.611
119 HE1 HIS 18 HE1 HIS 18 11.487 8.932 -15.818
120 H LEU 19 H LEU 19 6.696 9.427 -9.235
121 HA LEU 19 HA LEU 19 4.470 10.552 -10.759
122 HB2 LEU 19 HB2 LEU 19 4.191 8.254 -8.827
123 HB3 LEU 19 HB3 LEU 19 2.856 9.128 -9.576
124 HG LEU 19 HG LEU 19 4.846 7.827 -11.363
125 HD11 LEU 19 HD11 LEU 19 2.986 5.858 -11.044
126 HD12 LEU 19 HD12 LEU 19 3.225 6.408 -9.386
127 HD13 LEU 19 HD13 LEU 19 4.602 5.854 -10.338
128 HD21 LEU 19 HD21 LEU 19 2.699 7.359 -12.607
129 HD22 LEU 19 HD22 LEU 19 3.134 9.060 -12.433
130 HD23 LEU 19 HD23 LEU 19 1.885 8.359 -11.403
131 H VAL 20 H VAL 20 2.850 11.595 -9.367
132 HA VAL 20 HA VAL 20 3.768 12.248 -6.669
133 HB VAL 20 HB VAL 20 3.270 14.688 -7.123
134 HG11 VAL 20 HG11 VAL 20 5.608 13.729 -8.738
135 HG12 VAL 20 HG12 VAL 20 5.482 15.153 -7.704
136 HG13 VAL 20 HG13 VAL 20 5.565 13.544 -6.985
137 HG21 VAL 20 HG21 VAL 20 2.600 15.369 -9.130
138 HG22 VAL 20 HG22 VAL 20 3.975 14.586 -9.909
139 HG23 VAL 20 HG23 VAL 20 2.492 13.677 -9.617
140 H CYS 21 H CYS 21 2.145 12.766 -5.247
141 HA CYS 21 HA CYS 21 -0.480 11.911 -5.912
142 HB2 CYS 21 HB2 CYS 21 0.303 11.588 -3.666
143 HB3 CYS 21 HB3 CYS 21 0.637 13.306 -3.477
144 H SER 22 H SER 22 -1.409 13.150 -7.489
145 HA SER 22 HA SER 22 -1.386 16.012 -7.421
146 HB2 SER 22 HB2 SER 22 -1.627 14.442 -9.475
147 HB3 SER 22 HB3 SER 22 -3.333 14.384 -9.035
148 HG SER 22 HG SER 22 -2.949 16.854 -8.982
149 H ARG 23 H ARG 23 -2.364 16.907 -5.689
150 HA ARG 23 HA ARG 23 -4.736 15.893 -4.498
151 HB2 ARG 23 HB2 ARG 23 -3.366 18.576 -4.255
152 HB3 ARG 23 HB3 ARG 23 -4.741 18.082 -3.276
153 HG2 ARG 23 HG2 ARG 23 -3.363 16.135 -2.499
154 HG3 ARG 23 HG3 ARG 23 -1.986 16.883 -3.311
155 HD2 ARG 23 HD2 ARG 23 -3.554 18.594 -1.474
156 HD3 ARG 23 HD3 ARG 23 -2.581 17.320 -0.739
157 HE ARG 23 HE ARG 23 -1.133 18.888 -2.655
158 HH11 ARG 23 HH11 ARG 23 -2.191 18.702 0.657
159 HH12 ARG 23 HH12 ARG 23 -0.919 19.715 1.256
160 HH21 ARG 23 HH21 ARG 23 0.546 20.222 -1.878
161 HH22 ARG 23 HH22 ARG 23 0.636 20.580 -0.186
162 H ARG 24 H ARG 24 -4.138 17.876 -7.219
163 HA ARG 24 HA ARG 24 -6.747 19.141 -7.187
164 HB2 ARG 24 HB2 ARG 24 -4.417 19.216 -9.095
165 HB3 ARG 24 HB3 ARG 24 -5.964 19.954 -9.489
166 HG2 ARG 24 HG2 ARG 24 -5.743 21.277 -7.355
167 HG3 ARG 24 HG3 ARG 24 -4.084 20.683 -7.264
168 HD2 ARG 24 HD2 ARG 24 -4.090 21.568 -9.789
169 HD3 ARG 24 HD3 ARG 24 -5.308 22.647 -9.109
170 HE ARG 24 HE ARG 24 -3.114 22.651 -7.391
171 HH11 ARG 24 HH11 ARG 24 -3.903 23.616 -10.641
172 HH12 ARG 24 HH12 ARG 24 -2.743 24.903 -10.679
173 HH21 ARG 24 HH21 ARG 24 -1.583 24.342 -7.429
174 HH22 ARG 24 HH22 ARG 24 -1.424 25.314 -8.852
175 H HIS 25 H HIS 25 -5.029 16.717 -9.131
176 HA HIS 25 HA HIS 25 -7.313 16.161 -10.775
177 HB2 HIS 25 HB2 HIS 25 -4.575 14.982 -10.472
178 HB3 HIS 25 HB3 HIS 25 -5.808 14.093 -11.361
179 HD1 HIS 25 HD1 HIS 25 -6.475 14.981 -13.666
180 HD2 HIS 25 HD2 HIS 25 -3.689 17.362 -11.709
181 HE1 HIS 25 HE1 HIS 25 -5.637 16.598 -15.400
182 H GLY 26 H GLY 26 -5.970 14.889 -7.818
183 HA2 GLY 26 HA2 GLY 26 -7.166 13.642 -6.230
184 HA3 GLY 26 HA3 GLY 26 -8.365 13.268 -7.460
185 H TRP 27 H TRP 27 -5.125 12.817 -8.427
186 HA TRP 27 HA TRP 27 -4.871 10.109 -7.501
187 HB2 TRP 27 HB2 TRP 27 -4.906 9.069 -9.738
188 HB3 TRP 27 HB3 TRP 27 -6.470 9.755 -9.309
189 HD1 TRP 27 HD1 TRP 27 -3.332 11.075 -11.202
190 HE1 TRP 27 HE1 TRP 27 -4.154 12.348 -13.283
191 HE3 TRP 27 HE3 TRP 27 -8.373 10.521 -10.555
192 HZ2 TRP 27 HZ2 TRP 27 -6.613 13.027 -14.490
193 HZ3 TRP 27 HZ3 TRP 27 -9.892 11.513 -12.218
194 HH2 TRP 27 HH2 TRP 27 -9.028 12.740 -14.144
195 H CYS 28 H CYS 28 -2.879 9.076 -8.329
196 HA CYS 28 HA CYS 28 -0.698 10.864 -8.218
197 HB2 CYS 28 HB2 CYS 28 -0.734 7.976 -9.119
198 HB3 CYS 28 HB3 CYS 28 0.695 8.890 -8.647
199 H VAL 29 H VAL 29 0.270 12.006 -9.757
200 HA VAL 29 HA VAL 29 -0.276 11.306 -12.568
201 HB VAL 29 HB VAL 29 0.154 13.704 -13.084
202 HG11 VAL 29 HG11 VAL 29 -2.127 12.621 -11.615
203 HG12 VAL 29 HG12 VAL 29 -2.010 14.380 -11.548
204 HG13 VAL 29 HG13 VAL 29 -2.080 13.559 -13.108
205 HG21 VAL 29 HG21 VAL 29 0.222 13.927 -10.081
206 HG22 VAL 29 HG22 VAL 29 1.486 14.379 -11.224
207 HG23 VAL 29 HG23 VAL 29 -0.014 15.303 -11.158
208 H TRP 30 H TRP 30 1.431 11.935 -14.113
209 HA TRP 30 HA TRP 30 3.901 10.815 -13.442
210 HB2 TRP 30 HB2 TRP 30 3.136 12.654 -15.716
211 HB3 TRP 30 HB3 TRP 30 4.693 11.838 -15.598
212 HD1 TRP 30 HD1 TRP 30 1.734 11.444 -17.472
213 HE1 TRP 30 HE1 TRP 30 1.228 8.992 -18.066
214 HE3 TRP 30 HE3 TRP 30 4.792 9.141 -14.084
215 HZ2 TRP 30 HZ2 TRP 30 2.019 6.421 -17.211
216 HZ3 TRP 30 HZ3 TRP 30 4.859 6.681 -14.037
217 HH2 TRP 30 HH2 TRP 30 3.500 5.351 -15.568
218 H ASP 31 H ASP 31 5.659 11.584 -12.466
219 HA ASP 31 HA ASP 31 5.670 14.313 -11.514
220 HB2 ASP 31 HB2 ASP 31 6.376 12.437 -10.059
221 HB3 ASP 31 HB3 ASP 31 7.731 12.129 -11.142
222 H GLY 32 H GLY 32 6.607 15.968 -12.508
223 HA2 GLY 32 HA2 GLY 32 8.691 16.857 -13.457
224 HA3 GLY 32 HA3 GLY 32 8.784 15.390 -14.421
225 H THR 33 H THR 33 5.762 15.631 -14.792
226 HA THR 33 HA THR 33 5.843 17.735 -16.857
227 HB THR 33 HB THR 33 5.864 15.470 -17.847
228 HG1 THR 33 HG1 THR 33 4.788 17.194 -18.941
229 HG21 THR 33 HG21 THR 33 3.058 14.944 -17.111
230 HG22 THR 33 HG22 THR 33 4.236 14.733 -15.815
231 HG23 THR 33 HG23 THR 33 4.406 13.826 -17.318
232 H PHE 34 H PHE 34 3.960 16.085 -14.407
233 HA PHE 34 HA PHE 34 1.447 17.145 -14.814
234 HB2 PHE 34 HB2 PHE 34 0.974 16.639 -12.543
235 HB3 PHE 34 HB3 PHE 34 2.168 15.453 -13.059
236 HD1 PHE 34 HD1 PHE 34 4.665 16.129 -12.594
237 HD2 PHE 34 HD2 PHE 34 1.294 17.735 -10.551
238 HE1 PHE 34 HE1 PHE 34 6.115 16.768 -10.711
239 HE2 PHE 34 HE2 PHE 34 2.738 18.378 -8.666
240 HZ PHE 34 HZ PHE 34 5.152 17.895 -8.744
241 H SER 35 H SER 35 0.350 18.835 -13.451
242 HA SER 35 HA SER 35 1.776 21.323 -13.765
243 HB2 SER 35 HB2 SER 35 -0.690 20.950 -14.303
244 HB3 SER 35 HB3 SER 35 -0.971 20.971 -12.563
245 HG SER 35 HG SER 35 -0.023 23.047 -14.226
Start of MODEL 18
1 H1 GLU 1 H GLU 1 1.223 -0.381 0.749
2 HA GLU 1 HA GLU 1 3.050 0.223 -0.473
3 HB2 GLU 1 HB2 GLU 1 3.311 -0.885 -2.603
4 HB3 GLU 1 HB3 GLU 1 2.514 -1.978 -1.480
5 HG2 GLU 1 HG2 GLU 1 0.336 -1.017 -2.564
6 HG3 GLU 1 HG3 GLU 1 1.428 -0.609 -3.887
7 H CYS 2 H CYS 2 3.658 1.158 -2.836
8 HA CYS 2 HA CYS 2 2.375 3.724 -2.916
9 HB2 CYS 2 HB2 CYS 2 4.061 4.340 -4.493
10 HB3 CYS 2 HB3 CYS 2 4.839 3.331 -3.277
11 H ARG 3 H ARG 3 1.261 4.653 -4.660
12 HA ARG 3 HA ARG 3 -0.160 2.698 -6.313
13 HB2 ARG 3 HB2 ARG 3 -0.778 5.620 -5.842
14 HB3 ARG 3 HB3 ARG 3 -1.800 4.463 -6.683
15 HG2 ARG 3 HG2 ARG 3 -1.194 3.429 -4.102
16 HG3 ARG 3 HG3 ARG 3 -1.756 5.093 -3.934
17 HD2 ARG 3 HD2 ARG 3 -3.680 3.711 -3.833
18 HD3 ARG 3 HD3 ARG 3 -3.688 4.475 -5.422
19 HE ARG 3 HE ARG 3 -3.546 2.400 -6.352
20 HH11 ARG 3 HH11 ARG 3 -2.432 2.216 -3.059
21 HH12 ARG 3 HH12 ARG 3 -2.243 0.494 -3.081
22 HH21 ARG 3 HH21 ARG 3 -3.301 0.133 -6.394
23 HH22 ARG 3 HH22 ARG 3 -2.737 -0.690 -4.979
24 H TYR 4 H TYR 4 -0.591 3.193 -8.568
25 HA TYR 4 HA TYR 4 1.726 4.482 -9.821
26 HB2 TYR 4 HB2 TYR 4 1.063 3.223 -11.848
27 HB3 TYR 4 HB3 TYR 4 1.370 2.169 -10.472
28 HD1 TYR 4 HD2 TYR 4 -0.461 0.981 -9.380
29 HD2 TYR 4 HD1 TYR 4 -1.167 3.469 -12.759
30 HE1 TYR 4 HE2 TYR 4 -2.681 -0.041 -9.662
31 HE2 TYR 4 HE1 TYR 4 -3.388 2.455 -13.050
32 HH TYR 4 HH TYR 4 -4.481 -0.201 -10.973
33 H TRP 5 H TRP 5 0.867 5.088 -12.285
34 HA TRP 5 HA TRP 5 -0.292 7.575 -12.064
35 HB2 TRP 5 HB2 TRP 5 0.896 6.477 -14.076
36 HB3 TRP 5 HB3 TRP 5 -0.701 5.876 -14.515
37 HD1 TRP 5 HD1 TRP 5 0.332 9.410 -13.276
38 HE1 TRP 5 HE1 TRP 5 -0.512 11.126 -14.999
39 HE3 TRP 5 HE3 TRP 5 -1.639 6.193 -16.726
40 HZ2 TRP 5 HZ2 TRP 5 -1.838 11.117 -17.491
41 HZ3 TRP 5 HZ3 TRP 5 -2.677 7.128 -18.751
42 HH2 TRP 5 HH2 TRP 5 -2.774 9.539 -19.124
43 H LEU 6 H LEU 6 -2.314 8.378 -11.961
44 HA LEU 6 HA LEU 6 -4.560 8.449 -11.609
45 HB2 LEU 6 HB2 LEU 6 -4.771 6.080 -13.441
46 HB3 LEU 6 HB3 LEU 6 -5.940 7.374 -13.185
47 HG LEU 6 HG LEU 6 -3.347 7.506 -14.711
48 HD11 LEU 6 HD11 LEU 6 -5.244 6.553 -15.911
49 HD12 LEU 6 HD12 LEU 6 -4.805 8.130 -16.565
50 HD13 LEU 6 HD13 LEU 6 -6.215 7.971 -15.517
51 HD21 LEU 6 HD21 LEU 6 -4.278 9.909 -15.151
52 HD22 LEU 6 HD22 LEU 6 -3.306 9.579 -13.716
53 HD23 LEU 6 HD23 LEU 6 -5.063 9.673 -13.589
54 H GLY 7 H GLY 7 -2.846 6.613 -9.986
55 HA2 GLY 7 HA2 GLY 7 -4.396 4.302 -9.355
56 HA3 GLY 7 HA3 GLY 7 -3.072 4.956 -8.402
57 H GLY 8 H GLY 8 -4.121 7.528 -7.915
58 HA2 GLY 8 HA2 GLY 8 -6.028 8.572 -6.899
59 HA3 GLY 8 HA3 GLY 8 -6.620 6.976 -6.462
60 H CYS 9 H CYS 9 -4.235 9.451 -5.716
61 HA CYS 9 HA CYS 9 -3.291 8.108 -3.354
62 HB2 CYS 9 HB2 CYS 9 -1.920 10.048 -3.002
63 HB3 CYS 9 HB3 CYS 9 -1.894 9.676 -4.722
64 H SER 10 H SER 10 -3.152 9.968 -1.412
65 HA SER 10 HA SER 10 -5.718 11.186 -0.927
66 HB2 SER 10 HB2 SER 10 -5.840 8.637 -0.336
67 HB3 SER 10 HB3 SER 10 -4.921 9.114 1.091
68 HG SER 10 HG SER 10 -7.531 9.346 0.666
69 H ALA 11 H ALA 11 -5.625 11.555 1.765
70 HA ALA 11 HA ALA 11 -3.549 13.498 2.024
71 HB1 ALA 11 HB1 ALA 11 -5.498 14.142 3.083
72 HB2 ALA 11 HB2 ALA 11 -5.771 12.545 3.781
73 HB3 ALA 11 HB3 ALA 11 -4.509 13.589 4.435
74 H GLY 12 H GLY 12 -3.884 10.175 2.893
75 HA2 GLY 12 HA2 GLY 12 -1.334 10.346 4.377
76 HA3 GLY 12 HA3 GLY 12 -2.636 9.277 4.877
77 H GLN 13 H GLN 13 -2.100 9.671 1.497
78 HA GLN 13 HA GLN 13 -0.938 6.969 1.406
79 HB2 GLN 13 HB2 GLN 13 -3.003 8.335 -0.180
80 HB3 GLN 13 HB3 GLN 13 -1.830 7.438 -1.134
81 HG2 GLN 13 HG2 GLN 13 -2.302 5.458 0.334
82 HG3 GLN 13 HG3 GLN 13 -3.635 6.384 1.022
83 HE21 GLN 13 HE21 GLN 13 -2.411 5.973 -2.281
84 HE22 GLN 13 HE22 GLN 13 -3.913 5.452 -2.957
85 H THR 14 H THR 14 0.259 6.641 -0.808
86 HA THR 14 HA THR 14 1.909 8.986 -1.429
87 HB THR 14 HB THR 14 3.298 6.357 -1.198
88 HG1 THR 14 HG1 THR 14 2.925 6.274 0.876
89 HG21 THR 14 HG21 THR 14 3.968 9.232 -1.253
90 HG22 THR 14 HG22 THR 14 4.848 7.850 -1.903
91 HG23 THR 14 HG23 THR 14 4.952 8.233 -0.185
92 H CYS 15 H CYS 15 3.323 8.564 -3.375
93 HA CYS 15 HA CYS 15 1.953 6.775 -5.274
94 HB2 CYS 15 HB2 CYS 15 3.074 9.535 -5.801
95 HB3 CYS 15 HB3 CYS 15 2.450 8.451 -7.041
96 H CYS 16 H CYS 16 3.209 5.596 -6.660
97 HA CYS 16 HA CYS 16 5.771 4.864 -5.907
98 HB2 CYS 16 HB2 CYS 16 4.453 4.656 -8.621
99 HB3 CYS 16 HB3 CYS 16 5.942 3.830 -8.175
100 H LYS 17 H LYS 17 7.684 4.957 -7.556
101 HA LYS 17 HA LYS 17 8.642 7.593 -7.583
102 HB2 LYS 17 HB2 LYS 17 9.885 5.282 -7.717
103 HB3 LYS 17 HB3 LYS 17 9.744 5.531 -9.452
104 HG2 LYS 17 HG2 LYS 17 11.839 6.389 -8.917
105 HG3 LYS 17 HG3 LYS 17 10.807 7.817 -9.027
106 HD2 LYS 17 HD2 LYS 17 11.602 8.357 -7.009
107 HD3 LYS 17 HD3 LYS 17 10.565 7.072 -6.386
108 HE2 LYS 17 HE2 LYS 17 12.432 6.150 -5.584
109 HE3 LYS 17 HE3 LYS 17 12.805 5.719 -7.252
110 HZ1 LYS 17 HZ1 LYS 17 13.793 8.026 -5.690
111 HZ2 LYS 17 HZ2 LYS 17 13.873 8.004 -7.379
112 HZ3 LYS 17 HZ3 LYS 17 14.689 6.827 -6.479
113 H HIS 18 H HIS 18 9.242 8.914 -9.415
114 HA HIS 18 HA HIS 18 8.791 10.053 -11.332
115 HB2 HIS 18 HB2 HIS 18 8.458 7.220 -12.076
116 HB3 HIS 18 HB3 HIS 18 7.653 8.365 -13.144
117 HD1 HIS 18 HD1 HIS 18 9.112 8.661 -15.114
118 HD2 HIS 18 HD2 HIS 18 11.295 8.551 -11.580
119 HE1 HIS 18 HE1 HIS 18 11.499 9.082 -15.785
120 H LEU 19 H LEU 19 6.692 9.509 -9.210
121 HA LEU 19 HA LEU 19 4.458 10.617 -10.737
122 HB2 LEU 19 HB2 LEU 19 4.196 8.312 -8.811
123 HB3 LEU 19 HB3 LEU 19 2.856 9.171 -9.568
124 HG LEU 19 HG LEU 19 4.870 7.899 -11.346
125 HD11 LEU 19 HD11 LEU 19 4.661 5.952 -10.232
126 HD12 LEU 19 HD12 LEU 19 3.119 5.872 -11.083
127 HD13 LEU 19 HD13 LEU 19 3.178 6.450 -9.418
128 HD21 LEU 19 HD21 LEU 19 3.139 9.110 -12.414
129 HD22 LEU 19 HD22 LEU 19 1.899 8.377 -11.395
130 HD23 LEU 19 HD23 LEU 19 2.739 7.402 -12.601
131 H VAL 20 H VAL 20 2.841 11.665 -9.364
132 HA VAL 20 HA VAL 20 3.737 12.310 -6.655
133 HB VAL 20 HB VAL 20 3.213 14.747 -7.108
134 HG11 VAL 20 HG11 VAL 20 5.578 13.675 -8.635
135 HG12 VAL 20 HG12 VAL 20 5.429 15.241 -7.834
136 HG13 VAL 20 HG13 VAL 20 5.507 13.761 -6.876
137 HG21 VAL 20 HG21 VAL 20 2.553 15.425 -9.120
138 HG22 VAL 20 HG22 VAL 20 3.935 14.649 -9.892
139 HG23 VAL 20 HG23 VAL 20 2.456 13.733 -9.605
140 H CYS 21 H CYS 21 2.105 12.818 -5.238
141 HA CYS 21 HA CYS 21 -0.510 11.935 -5.910
142 HB2 CYS 21 HB2 CYS 21 0.272 11.619 -3.662
143 HB3 CYS 21 HB3 CYS 21 0.585 13.341 -3.471
144 H SER 22 H SER 22 -1.446 13.167 -7.490
145 HA SER 22 HA SER 22 -1.450 16.028 -7.421
146 HB2 SER 22 HB2 SER 22 -1.674 14.458 -9.476
147 HB3 SER 22 HB3 SER 22 -3.380 14.380 -9.037
148 HG SER 22 HG SER 22 -2.103 16.299 -10.366
149 H ARG 23 H ARG 23 -2.439 16.918 -5.694
150 HA ARG 23 HA ARG 23 -4.805 15.882 -4.507
151 HB2 ARG 23 HB2 ARG 23 -3.677 18.674 -4.248
152 HB3 ARG 23 HB3 ARG 23 -4.782 17.875 -3.137
153 HG2 ARG 23 HG2 ARG 23 -3.044 16.240 -2.591
154 HG3 ARG 23 HG3 ARG 23 -1.937 17.061 -3.692
155 HD2 ARG 23 HD2 ARG 23 -2.475 19.159 -2.270
156 HD3 ARG 23 HD3 ARG 23 -3.043 17.996 -1.073
157 HE ARG 23 HE ARG 23 -0.868 17.491 -0.603
158 HH11 ARG 23 HH11 ARG 23 -1.008 19.064 -3.706
159 HH12 ARG 23 HH12 ARG 23 0.713 19.162 -3.880
160 HH21 ARG 23 HH21 ARG 23 1.399 17.614 -0.821
161 HH22 ARG 23 HH22 ARG 23 2.081 18.335 -2.239
162 H ARG 24 H ARG 24 -4.219 17.861 -7.229
163 HA ARG 24 HA ARG 24 -6.835 19.113 -7.198
164 HB2 ARG 24 HB2 ARG 24 -4.510 19.204 -9.112
165 HB3 ARG 24 HB3 ARG 24 -6.059 19.947 -9.488
166 HG2 ARG 24 HG2 ARG 24 -5.809 21.232 -7.318
167 HG3 ARG 24 HG3 ARG 24 -4.139 20.663 -7.296
168 HD2 ARG 24 HD2 ARG 24 -4.746 21.693 -9.890
169 HD3 ARG 24 HD3 ARG 24 -5.215 22.881 -8.675
170 HE ARG 24 HE ARG 24 -2.551 22.094 -9.385
171 HH11 ARG 24 HH11 ARG 24 -4.557 23.376 -6.846
172 HH12 ARG 24 HH12 ARG 24 -3.250 24.175 -6.038
173 HH21 ARG 24 HH21 ARG 24 -0.821 23.141 -8.330
174 HH22 ARG 24 HH22 ARG 24 -1.125 24.041 -6.883
175 H HIS 25 H HIS 25 -5.100 16.685 -9.116
176 HA HIS 25 HA HIS 25 -7.377 16.121 -10.773
177 HB2 HIS 25 HB2 HIS 25 -4.629 14.966 -10.471
178 HB3 HIS 25 HB3 HIS 25 -5.854 14.067 -11.362
179 HD1 HIS 25 HD1 HIS 25 -6.522 14.946 -13.668
180 HD2 HIS 25 HD2 HIS 25 -3.771 17.361 -11.702
181 HE1 HIS 25 HE1 HIS 25 -5.699 16.575 -15.399
182 H GLY 26 H GLY 26 -6.025 14.860 -7.816
183 HA2 GLY 26 HA2 GLY 26 -7.211 13.600 -6.231
184 HA3 GLY 26 HA3 GLY 26 -8.405 13.215 -7.462
185 H TRP 27 H TRP 27 -5.159 12.796 -8.426
186 HA TRP 27 HA TRP 27 -4.880 10.090 -7.501
187 HB2 TRP 27 HB2 TRP 27 -4.903 9.051 -9.739
188 HB3 TRP 27 HB3 TRP 27 -6.474 9.722 -9.311
189 HD1 TRP 27 HD1 TRP 27 -3.348 11.075 -11.200
190 HE1 TRP 27 HE1 TRP 27 -4.180 12.340 -13.281
191 HE3 TRP 27 HE3 TRP 27 -8.383 10.467 -10.560
192 HZ2 TRP 27 HZ2 TRP 27 -6.645 12.994 -14.492
193 HZ3 TRP 27 HZ3 TRP 27 -9.910 11.444 -12.224
194 HH2 TRP 27 HH2 TRP 27 -9.057 12.681 -14.148
195 H CYS 28 H CYS 28 -2.878 9.075 -8.333
196 HA CYS 28 HA CYS 28 -0.714 10.885 -8.218
197 HB2 CYS 28 HB2 CYS 28 -0.722 7.997 -9.121
198 HB3 CYS 28 HB3 CYS 28 0.698 8.925 -8.648
199 H VAL 29 H VAL 29 0.250 12.033 -9.755
200 HA VAL 29 HA VAL 29 -0.293 11.334 -12.567
201 HB VAL 29 HB VAL 29 0.125 13.737 -13.078
202 HG11 VAL 29 HG11 VAL 29 -2.043 14.485 -11.728
203 HG12 VAL 29 HG12 VAL 29 -2.120 13.373 -13.096
204 HG13 VAL 29 HG13 VAL 29 -2.145 12.747 -11.447
205 HG21 VAL 29 HG21 VAL 29 -0.059 15.329 -11.150
206 HG22 VAL 29 HG22 VAL 29 0.182 13.954 -10.073
207 HG23 VAL 29 HG23 VAL 29 1.447 14.414 -11.212
208 H TRP 30 H TRP 30 1.410 11.972 -14.111
209 HA TRP 30 HA TRP 30 3.888 10.870 -13.437
210 HB2 TRP 30 HB2 TRP 30 3.099 12.686 -15.720
211 HB3 TRP 30 HB3 TRP 30 4.670 11.900 -15.599
212 HD1 TRP 30 HD1 TRP 30 1.721 11.441 -17.472
213 HE1 TRP 30 HE1 TRP 30 1.259 8.976 -18.050
214 HE3 TRP 30 HE3 TRP 30 4.816 9.213 -14.066
215 HZ2 TRP 30 HZ2 TRP 30 2.095 6.425 -17.178
216 HZ3 TRP 30 HZ3 TRP 30 4.926 6.756 -14.003
217 HH2 TRP 30 HH2 TRP 30 3.592 5.392 -15.527
218 H ASP 31 H ASP 31 5.606 11.654 -12.411
219 HA ASP 31 HA ASP 31 5.608 14.397 -11.510
220 HB2 ASP 31 HB2 ASP 31 6.298 12.470 -10.059
221 HB3 ASP 31 HB3 ASP 31 7.722 12.279 -11.079
222 H GLY 32 H GLY 32 6.569 16.037 -12.506
223 HA2 GLY 32 HA2 GLY 32 8.659 16.916 -13.440
224 HA3 GLY 32 HA3 GLY 32 8.779 15.430 -14.371
225 H THR 33 H THR 33 5.765 15.647 -14.809
226 HA THR 33 HA THR 33 5.879 17.705 -16.918
227 HB THR 33 HB THR 33 5.899 15.620 -18.051
228 HG1 THR 33 HG1 THR 33 4.341 16.276 -19.314
229 HG21 THR 33 HG21 THR 33 3.700 14.804 -16.156
230 HG22 THR 33 HG22 THR 33 5.305 14.091 -16.319
231 HG23 THR 33 HG23 THR 33 4.118 13.897 -17.608
232 H PHE 34 H PHE 34 3.958 16.112 -14.461
233 HA PHE 34 HA PHE 34 1.448 17.150 -14.940
234 HB2 PHE 34 HB2 PHE 34 0.939 16.705 -12.663
235 HB3 PHE 34 HB3 PHE 34 2.144 15.509 -13.128
236 HD1 PHE 34 HD1 PHE 34 4.630 16.194 -12.636
237 HD2 PHE 34 HD2 PHE 34 1.227 17.865 -10.701
238 HE1 PHE 34 HE1 PHE 34 6.047 16.886 -10.748
239 HE2 PHE 34 HE2 PHE 34 2.639 18.561 -8.811
240 HZ PHE 34 HZ PHE 34 5.053 18.073 -8.833
241 H SER 35 H SER 35 0.330 18.861 -13.589
242 HA SER 35 HA SER 35 1.591 21.367 -14.087
243 HB2 SER 35 HB2 SER 35 -1.019 20.517 -12.873
244 HB3 SER 35 HB3 SER 35 -0.496 22.197 -12.745
245 HG SER 35 HG SER 35 -0.783 22.463 -14.838
Start of MODEL 19
1 H1 GLU 1 H GLU 1 0.269 0.346 -0.232
2 HA GLU 1 HA GLU 1 2.977 -0.129 -0.951
3 HB2 GLU 1 HB2 GLU 1 0.878 -1.734 -2.252
4 HB3 GLU 1 HB3 GLU 1 1.978 -0.926 -3.360
5 HG2 GLU 1 HG2 GLU 1 3.354 -2.239 -1.162
6 HG3 GLU 1 HG3 GLU 1 2.394 -3.348 -2.140
7 H CYS 2 H CYS 2 3.500 0.953 -3.096
8 HA CYS 2 HA CYS 2 2.287 3.554 -3.091
9 HB2 CYS 2 HB2 CYS 2 3.988 4.176 -4.649
10 HB3 CYS 2 HB3 CYS 2 4.739 3.107 -3.469
11 H ARG 3 H ARG 3 1.197 4.569 -4.801
12 HA ARG 3 HA ARG 3 -0.278 2.709 -6.514
13 HB2 ARG 3 HB2 ARG 3 -0.816 5.632 -5.962
14 HB3 ARG 3 HB3 ARG 3 -1.875 4.520 -6.819
15 HG2 ARG 3 HG2 ARG 3 -1.285 3.402 -4.275
16 HG3 ARG 3 HG3 ARG 3 -1.777 5.083 -4.051
17 HD2 ARG 3 HD2 ARG 3 -3.719 3.650 -3.965
18 HD3 ARG 3 HD3 ARG 3 -3.782 4.646 -5.418
19 HE ARG 3 HE ARG 3 -3.643 2.745 -6.686
20 HH11 ARG 3 HH11 ARG 3 -2.735 2.003 -3.408
21 HH12 ARG 3 HH12 ARG 3 -2.677 0.292 -3.674
22 HH21 ARG 3 HH21 ARG 3 -3.570 0.495 -7.049
23 HH22 ARG 3 HH22 ARG 3 -3.151 -0.565 -5.746
24 H TYR 4 H TYR 4 -0.691 3.279 -8.751
25 HA TYR 4 HA TYR 4 1.657 4.547 -9.967
26 HB2 TYR 4 HB2 TYR 4 0.960 3.368 -12.031
27 HB3 TYR 4 HB3 TYR 4 1.245 2.266 -10.688
28 HD1 TYR 4 HD2 TYR 4 -0.610 1.085 -9.632
29 HD2 TYR 4 HD1 TYR 4 -1.267 3.698 -12.925
30 HE1 TYR 4 HE2 TYR 4 -2.853 0.125 -9.939
31 HE2 TYR 4 HE1 TYR 4 -3.512 2.745 -13.241
32 HH TYR 4 HH TYR 4 -4.647 0.028 -11.278
33 H TRP 5 H TRP 5 0.817 5.252 -12.409
34 HA TRP 5 HA TRP 5 -0.283 7.758 -12.110
35 HB2 TRP 5 HB2 TRP 5 0.885 6.696 -14.154
36 HB3 TRP 5 HB3 TRP 5 -0.725 6.150 -14.616
37 HD1 TRP 5 HD1 TRP 5 0.392 9.615 -13.258
38 HE1 TRP 5 HE1 TRP 5 -0.401 11.407 -14.926
39 HE3 TRP 5 HE3 TRP 5 -1.644 6.564 -16.819
40 HZ2 TRP 5 HZ2 TRP 5 -1.717 11.514 -17.421
41 HZ3 TRP 5 HZ3 TRP 5 -2.651 7.591 -18.816
42 HH2 TRP 5 HH2 TRP 5 -2.686 10.014 -19.109
43 H LEU 6 H LEU 6 -2.284 8.603 -11.981
44 HA LEU 6 HA LEU 6 -4.530 8.719 -11.641
45 HB2 LEU 6 HB2 LEU 6 -4.787 6.403 -13.535
46 HB3 LEU 6 HB3 LEU 6 -5.931 7.712 -13.246
47 HG LEU 6 HG LEU 6 -3.331 7.837 -14.762
48 HD11 LEU 6 HD11 LEU 6 -4.766 8.526 -16.605
49 HD12 LEU 6 HD12 LEU 6 -6.185 8.384 -15.568
50 HD13 LEU 6 HD13 LEU 6 -5.250 6.947 -15.984
51 HD21 LEU 6 HD21 LEU 6 -4.182 10.264 -15.142
52 HD22 LEU 6 HD22 LEU 6 -3.273 9.876 -13.681
53 HD23 LEU 6 HD23 LEU 6 -5.031 10.012 -13.617
54 H GLY 7 H GLY 7 -2.862 6.799 -10.064
55 HA2 GLY 7 HA2 GLY 7 -4.470 4.512 -9.495
56 HA3 GLY 7 HA3 GLY 7 -3.130 5.107 -8.525
57 H GLY 8 H GLY 8 -4.119 7.693 -7.975
58 HA2 GLY 8 HA2 GLY 8 -5.994 8.758 -6.927
59 HA3 GLY 8 HA3 GLY 8 -6.634 7.167 -6.541
60 H CYS 9 H CYS 9 -4.181 9.548 -5.713
61 HA CYS 9 HA CYS 9 -3.286 8.108 -3.390
62 HB2 CYS 9 HB2 CYS 9 -1.875 10.017 -2.966
63 HB3 CYS 9 HB3 CYS 9 -1.821 9.657 -4.688
64 H SER 10 H SER 10 -3.099 9.905 -1.394
65 HA SER 10 HA SER 10 -5.629 11.184 -0.880
66 HB2 SER 10 HB2 SER 10 -5.835 8.627 -0.367
67 HB3 SER 10 HB3 SER 10 -4.899 9.025 1.073
68 HG SER 10 HG SER 10 -7.504 9.729 0.385
69 H ALA 11 H ALA 11 -5.535 11.469 1.823
70 HA ALA 11 HA ALA 11 -3.400 13.339 2.145
71 HB1 ALA 11 HB1 ALA 11 -5.254 14.070 3.258
72 HB2 ALA 11 HB2 ALA 11 -5.717 12.451 3.783
73 HB3 ALA 11 HB3 ALA 11 -4.394 13.295 4.589
74 H GLY 12 H GLY 12 -3.830 10.003 2.892
75 HA2 GLY 12 HA2 GLY 12 -1.292 10.052 4.406
76 HA3 GLY 12 HA3 GLY 12 -2.628 9.005 4.862
77 H GLN 13 H GLN 13 -2.070 9.487 1.500
78 HA GLN 13 HA GLN 13 -0.977 6.760 1.328
79 HB2 GLN 13 HB2 GLN 13 -2.998 8.230 -0.219
80 HB3 GLN 13 HB3 GLN 13 -1.840 7.343 -1.201
81 HG2 GLN 13 HG2 GLN 13 -2.366 5.321 0.190
82 HG3 GLN 13 HG3 GLN 13 -3.680 6.251 0.907
83 HE21 GLN 13 HE21 GLN 13 -2.450 5.936 -2.405
84 HE22 GLN 13 HE22 GLN 13 -3.961 5.475 -3.105
85 H THR 14 H THR 14 0.211 6.478 -0.906
86 HA THR 14 HA THR 14 1.934 8.791 -1.435
87 HB THR 14 HB THR 14 3.244 6.116 -1.282
88 HG1 THR 14 HG1 THR 14 2.701 7.776 0.974
89 HG21 THR 14 HG21 THR 14 4.842 7.580 -1.941
90 HG22 THR 14 HG22 THR 14 4.952 7.910 -0.212
91 HG23 THR 14 HG23 THR 14 4.001 8.969 -1.253
92 H CYS 15 H CYS 15 3.341 8.401 -3.390
93 HA CYS 15 HA CYS 15 1.930 6.714 -5.352
94 HB2 CYS 15 HB2 CYS 15 3.133 9.457 -5.775
95 HB3 CYS 15 HB3 CYS 15 2.499 8.434 -7.060
96 H CYS 16 H CYS 16 3.157 5.540 -6.767
97 HA CYS 16 HA CYS 16 5.687 4.700 -6.029
98 HB2 CYS 16 HB2 CYS 16 4.371 4.635 -8.751
99 HB3 CYS 16 HB3 CYS 16 5.844 3.760 -8.346
100 H LYS 17 H LYS 17 7.628 4.799 -7.628
101 HA LYS 17 HA LYS 17 8.659 7.405 -7.563
102 HB2 LYS 17 HB2 LYS 17 9.844 5.072 -7.741
103 HB3 LYS 17 HB3 LYS 17 9.728 5.359 -9.472
104 HG2 LYS 17 HG2 LYS 17 11.820 6.183 -8.966
105 HG3 LYS 17 HG3 LYS 17 10.822 7.639 -8.923
106 HD2 LYS 17 HD2 LYS 17 10.956 7.828 -6.642
107 HD3 LYS 17 HD3 LYS 17 11.184 6.093 -6.404
108 HE2 LYS 17 HE2 LYS 17 13.446 6.550 -7.661
109 HE3 LYS 17 HE3 LYS 17 13.176 8.200 -7.103
110 HZ1 LYS 17 HZ1 LYS 17 14.152 7.518 -5.236
111 HZ2 LYS 17 HZ2 LYS 17 13.987 5.879 -5.620
112 HZ3 LYS 17 HZ3 LYS 17 12.706 6.709 -4.889
113 H HIS 18 H HIS 18 9.294 8.785 -9.323
114 HA HIS 18 HA HIS 18 8.919 9.987 -11.218
115 HB2 HIS 18 HB2 HIS 18 7.770 7.465 -12.416
116 HB3 HIS 18 HB3 HIS 18 8.501 8.825 -13.264
117 HD1 HIS 18 HD1 HIS 18 9.428 5.777 -13.418
118 HD2 HIS 18 HD2 HIS 18 11.233 8.806 -11.220
119 HE1 HIS 18 HE1 HIS 18 11.808 5.038 -13.083
120 H LEU 19 H LEU 19 6.767 9.419 -9.146
121 HA LEU 19 HA LEU 19 4.592 10.646 -10.666
122 HB2 LEU 19 HB2 LEU 19 4.233 8.286 -8.824
123 HB3 LEU 19 HB3 LEU 19 2.931 9.206 -9.576
124 HG LEU 19 HG LEU 19 4.950 7.918 -11.345
125 HD11 LEU 19 HD11 LEU 19 3.002 6.007 -11.147
126 HD12 LEU 19 HD12 LEU 19 3.238 6.485 -9.466
127 HD13 LEU 19 HD13 LEU 19 4.607 5.914 -10.421
128 HD21 LEU 19 HD21 LEU 19 2.834 7.557 -12.678
129 HD22 LEU 19 HD22 LEU 19 3.319 9.236 -12.436
130 HD23 LEU 19 HD23 LEU 19 2.011 8.548 -11.473
131 H VAL 20 H VAL 20 3.028 11.754 -9.321
132 HA VAL 20 HA VAL 20 3.889 12.265 -6.566
133 HB VAL 20 HB VAL 20 3.486 14.714 -6.913
134 HG11 VAL 20 HG11 VAL 20 5.740 13.308 -8.315
135 HG12 VAL 20 HG12 VAL 20 5.676 15.066 -8.171
136 HG13 VAL 20 HG13 VAL 20 5.734 14.063 -6.721
137 HG21 VAL 20 HG21 VAL 20 2.196 14.748 -8.904
138 HG22 VAL 20 HG22 VAL 20 3.738 15.512 -9.291
139 HG23 VAL 20 HG23 VAL 20 3.426 13.852 -9.797
140 H CYS 21 H CYS 21 2.254 12.744 -5.148
141 HA CYS 21 HA CYS 21 -0.373 11.955 -5.874
142 HB2 CYS 21 HB2 CYS 21 0.376 11.547 -3.631
143 HB3 CYS 21 HB3 CYS 21 0.731 13.253 -3.380
144 H SER 22 H SER 22 -1.297 13.249 -7.401
145 HA SER 22 HA SER 22 -1.224 16.110 -7.245
146 HB2 SER 22 HB2 SER 22 -1.466 14.611 -9.352
147 HB3 SER 22 HB3 SER 22 -3.178 14.565 -8.931
148 HG SER 22 HG SER 22 -1.701 16.965 -9.237
149 H ARG 23 H ARG 23 -2.208 16.959 -5.492
150 HA ARG 23 HA ARG 23 -4.610 15.938 -4.367
151 HB2 ARG 23 HB2 ARG 23 -3.348 18.661 -3.999
152 HB3 ARG 23 HB3 ARG 23 -4.570 17.938 -2.962
153 HG2 ARG 23 HG2 ARG 23 -3.086 16.595 -1.915
154 HG3 ARG 23 HG3 ARG 23 -2.097 16.378 -3.360
155 HD2 ARG 23 HD2 ARG 23 -0.811 18.186 -2.914
156 HD3 ARG 23 HD3 ARG 23 -2.148 19.096 -2.214
157 HE ARG 23 HE ARG 23 -1.609 17.082 -0.423
158 HH11 ARG 23 HH11 ARG 23 0.152 19.728 -1.844
159 HH12 ARG 23 HH12 ARG 23 1.187 19.947 -0.472
160 HH21 ARG 23 HH21 ARG 23 -0.252 17.360 1.389
161 HH22 ARG 23 HH22 ARG 23 0.957 18.599 1.366
162 H ARG 24 H ARG 24 -3.948 18.000 -7.008
163 HA ARG 24 HA ARG 24 -6.527 19.323 -6.954
164 HB2 ARG 24 HB2 ARG 24 -4.142 19.430 -8.777
165 HB3 ARG 24 HB3 ARG 24 -5.676 20.137 -9.265
166 HG2 ARG 24 HG2 ARG 24 -4.799 20.927 -6.590
167 HG3 ARG 24 HG3 ARG 24 -3.717 21.429 -7.890
168 HD2 ARG 24 HD2 ARG 24 -6.094 22.079 -8.975
169 HD3 ARG 24 HD3 ARG 24 -6.469 22.290 -7.265
170 HE ARG 24 HE ARG 24 -4.834 23.977 -8.879
171 HH11 ARG 24 HH11 ARG 24 -5.273 22.767 -5.645
172 HH12 ARG 24 HH12 ARG 24 -4.515 24.131 -4.892
173 HH21 ARG 24 HH21 ARG 24 -3.835 25.779 -7.899
174 HH22 ARG 24 HH22 ARG 24 -3.699 25.844 -6.175
175 H HIS 25 H HIS 25 -4.861 16.877 -8.903
176 HA HIS 25 HA HIS 25 -7.146 16.441 -10.598
177 HB2 HIS 25 HB2 HIS 25 -4.423 15.228 -10.338
178 HB3 HIS 25 HB3 HIS 25 -5.666 14.356 -11.230
179 HD1 HIS 25 HD1 HIS 25 -6.418 15.342 -13.488
180 HD2 HIS 25 HD2 HIS 25 -3.473 17.561 -11.574
181 HE1 HIS 25 HE1 HIS 25 -5.573 16.967 -15.212
182 H GLY 26 H GLY 26 -5.843 15.063 -7.674
183 HA2 GLY 26 HA2 GLY 26 -7.068 13.786 -6.133
184 HA3 GLY 26 HA3 GLY 26 -8.261 13.463 -7.383
185 H TRP 27 H TRP 27 -5.021 12.998 -8.339
186 HA TRP 27 HA TRP 27 -4.806 10.262 -7.486
187 HB2 TRP 27 HB2 TRP 27 -4.839 9.285 -9.752
188 HB3 TRP 27 HB3 TRP 27 -6.398 9.977 -9.313
189 HD1 TRP 27 HD1 TRP 27 -3.234 11.308 -11.154
190 HE1 TRP 27 HE1 TRP 27 -4.029 12.649 -13.203
191 HE3 TRP 27 HE3 TRP 27 -8.285 10.805 -10.544
192 HZ2 TRP 27 HZ2 TRP 27 -6.473 13.395 -14.401
193 HZ3 TRP 27 HZ3 TRP 27 -9.782 11.863 -12.185
194 HH2 TRP 27 HH2 TRP 27 -8.893 13.131 -14.072
195 H CYS 28 H CYS 28 -2.829 9.218 -8.379
196 HA CYS 28 HA CYS 28 -0.623 10.979 -8.192
197 HB2 CYS 28 HB2 CYS 28 -0.691 8.117 -9.171
198 HB3 CYS 28 HB3 CYS 28 0.746 9.000 -8.667
199 H VAL 29 H VAL 29 0.390 12.132 -9.696
200 HA VAL 29 HA VAL 29 -0.174 11.530 -12.527
201 HB VAL 29 HB VAL 29 0.330 13.933 -12.967
202 HG11 VAL 29 HG11 VAL 29 -1.904 13.862 -13.015
203 HG12 VAL 29 HG12 VAL 29 -1.993 12.857 -11.567
204 HG13 VAL 29 HG13 VAL 29 -1.830 14.607 -11.419
205 HG21 VAL 29 HG21 VAL 29 0.365 14.063 -9.957
206 HG22 VAL 29 HG22 VAL 29 1.663 14.503 -11.068
207 HG23 VAL 29 HG23 VAL 29 0.193 15.475 -10.999
208 H TRP 30 H TRP 30 1.547 12.119 -14.055
209 HA TRP 30 HA TRP 30 3.992 10.936 -13.395
210 HB2 TRP 30 HB2 TRP 30 3.214 12.771 -15.663
211 HB3 TRP 30 HB3 TRP 30 4.799 12.012 -15.547
212 HD1 TRP 30 HD1 TRP 30 1.825 11.509 -17.391
213 HE1 TRP 30 HE1 TRP 30 1.420 9.040 -17.995
214 HE3 TRP 30 HE3 TRP 30 5.040 9.323 -14.071
215 HZ2 TRP 30 HZ2 TRP 30 2.341 6.502 -17.173
216 HZ3 TRP 30 HZ3 TRP 30 5.218 6.869 -14.043
217 HH2 TRP 30 HH2 TRP 30 3.895 5.489 -15.563
218 H ASP 31 H ASP 31 5.570 11.660 -12.144
219 HA ASP 31 HA ASP 31 5.699 14.363 -11.249
220 HB2 ASP 31 HB2 ASP 31 6.418 12.332 -9.929
221 HB3 ASP 31 HB3 ASP 31 7.843 12.255 -10.961
222 H GLY 32 H GLY 32 6.291 15.942 -12.596
223 HA2 GLY 32 HA2 GLY 32 8.503 16.887 -13.415
224 HA3 GLY 32 HA3 GLY 32 8.566 15.439 -14.409
225 H THR 33 H THR 33 5.933 15.276 -15.259
226 HA THR 33 HA THR 33 5.592 17.781 -16.776
227 HB THR 33 HB THR 33 6.519 16.028 -18.229
228 HG1 THR 33 HG1 THR 33 4.491 15.988 -19.670
229 HG21 THR 33 HG21 THR 33 3.979 14.469 -17.977
230 HG22 THR 33 HG22 THR 33 5.291 14.192 -16.831
231 HG23 THR 33 HG23 THR 33 5.560 13.949 -18.557
232 H PHE 34 H PHE 34 4.290 16.513 -14.313
233 HA PHE 34 HA PHE 34 1.696 15.683 -14.876
234 HB2 PHE 34 HB2 PHE 34 1.174 16.610 -12.558
235 HB3 PHE 34 HB3 PHE 34 2.466 15.418 -12.653
236 HD1 PHE 34 HD1 PHE 34 2.029 19.119 -12.847
237 HD2 PHE 34 HD2 PHE 34 4.385 15.849 -11.479
238 HE1 PHE 34 HE1 PHE 34 3.554 20.692 -11.726
239 HE2 PHE 34 HE2 PHE 34 5.913 17.416 -10.355
240 HZ PHE 34 HZ PHE 34 5.498 19.841 -10.477
241 H SER 35 H SER 35 -0.327 16.817 -14.707
242 HA SER 35 HA SER 35 -0.268 19.328 -16.117
243 HB2 SER 35 HB2 SER 35 -2.419 17.431 -15.242
244 HB3 SER 35 HB3 SER 35 -2.851 19.066 -15.741
245 HG SER 35 HG SER 35 -2.636 18.415 -17.715
Start of MODEL 20
1 H1 GLU 1 H GLU 1 0.388 0.162 -0.123
2 HA GLU 1 HA GLU 1 3.266 0.145 -0.743
3 HB2 GLU 1 HB2 GLU 1 1.310 -1.718 -1.614
4 HB3 GLU 1 HB3 GLU 1 1.756 -0.741 -3.006
5 HG2 GLU 1 HG2 GLU 1 3.867 -1.933 -1.262
6 HG3 GLU 1 HG3 GLU 1 3.065 -2.907 -2.493
7 H CYS 2 H CYS 2 3.738 1.167 -2.896
8 HA CYS 2 HA CYS 2 2.482 3.746 -2.988
9 HB2 CYS 2 HB2 CYS 2 4.161 4.330 -4.586
10 HB3 CYS 2 HB3 CYS 2 4.938 3.324 -3.368
11 H ARG 3 H ARG 3 1.362 4.671 -4.730
12 HA ARG 3 HA ARG 3 -0.093 2.718 -6.353
13 HB2 ARG 3 HB2 ARG 3 -0.678 5.649 -5.901
14 HB3 ARG 3 HB3 ARG 3 -1.720 4.496 -6.723
15 HG2 ARG 3 HG2 ARG 3 -1.107 3.469 -4.144
16 HG3 ARG 3 HG3 ARG 3 -1.636 5.144 -3.976
17 HD2 ARG 3 HD2 ARG 3 -3.729 4.710 -4.810
18 HD3 ARG 3 HD3 ARG 3 -3.179 3.334 -5.766
19 HE ARG 3 HE ARG 3 -2.859 2.545 -3.169
20 HH11 ARG 3 HH11 ARG 3 -5.517 3.720 -5.087
21 HH12 ARG 3 HH12 ARG 3 -6.716 2.840 -4.199
22 HH21 ARG 3 HH21 ARG 3 -4.429 1.381 -1.993
23 HH22 ARG 3 HH22 ARG 3 -6.097 1.511 -2.439
24 H TYR 4 H TYR 4 -0.553 3.218 -8.608
25 HA TYR 4 HA TYR 4 1.768 4.471 -9.893
26 HB2 TYR 4 HB2 TYR 4 1.097 3.195 -11.898
27 HB3 TYR 4 HB3 TYR 4 1.375 2.147 -10.511
28 HD1 TYR 4 HD2 TYR 4 -0.502 1.033 -9.398
29 HD2 TYR 4 HD1 TYR 4 -1.105 3.445 -12.851
30 HE1 TYR 4 HE2 TYR 4 -2.738 0.051 -9.686
31 HE2 TYR 4 HE1 TYR 4 -3.343 2.469 -13.148
32 HH TYR 4 HH TYR 4 -4.343 -0.248 -11.919
33 H TRP 5 H TRP 5 0.877 5.049 -12.360
34 HA TRP 5 HA TRP 5 -0.254 7.550 -12.152
35 HB2 TRP 5 HB2 TRP 5 0.894 6.407 -14.168
36 HB3 TRP 5 HB3 TRP 5 -0.719 5.833 -14.579
37 HD1 TRP 5 HD1 TRP 5 0.374 9.360 -13.375
38 HE1 TRP 5 HE1 TRP 5 -0.452 11.075 -15.107
39 HE3 TRP 5 HE3 TRP 5 -1.650 6.146 -16.797
40 HZ2 TRP 5 HZ2 TRP 5 -1.785 11.066 -17.595
41 HZ3 TRP 5 HZ3 TRP 5 -2.682 7.080 -18.826
42 HH2 TRP 5 HH2 TRP 5 -2.748 9.490 -19.214
43 H LEU 6 H LEU 6 -2.264 8.368 -12.008
44 HA LEU 6 HA LEU 6 -4.504 8.464 -11.629
45 HB2 LEU 6 HB2 LEU 6 -4.764 6.085 -13.441
46 HB3 LEU 6 HB3 LEU 6 -5.919 7.390 -13.176
47 HG LEU 6 HG LEU 6 -3.348 7.491 -14.742
48 HD11 LEU 6 HD11 LEU 6 -5.273 6.544 -15.904
49 HD12 LEU 6 HD12 LEU 6 -4.827 8.112 -16.578
50 HD13 LEU 6 HD13 LEU 6 -6.223 7.977 -15.509
51 HD21 LEU 6 HD21 LEU 6 -3.892 9.863 -15.147
52 HD22 LEU 6 HD22 LEU 6 -3.499 9.534 -13.459
53 HD23 LEU 6 HD23 LEU 6 -5.180 9.751 -13.947
54 H GLY 7 H GLY 7 -2.780 6.617 -10.024
55 HA2 GLY 7 HA2 GLY 7 -4.339 4.326 -9.352
56 HA3 GLY 7 HA3 GLY 7 -3.000 4.979 -8.421
57 H GLY 8 H GLY 8 -3.996 7.546 -7.903
58 HA2 GLY 8 HA2 GLY 8 -5.891 8.617 -6.880
59 HA3 GLY 8 HA3 GLY 8 -6.495 7.028 -6.434
60 H CYS 9 H CYS 9 -4.076 9.479 -5.719
61 HA CYS 9 HA CYS 9 -3.112 8.133 -3.370
62 HB2 CYS 9 HB2 CYS 9 -1.748 10.090 -3.020
63 HB3 CYS 9 HB3 CYS 9 -1.715 9.689 -4.735
64 H SER 10 H SER 10 -2.947 9.979 -1.421
65 HA SER 10 HA SER 10 -5.501 11.207 -0.901
66 HB2 SER 10 HB2 SER 10 -5.441 8.582 -0.273
67 HB3 SER 10 HB3 SER 10 -4.787 9.259 1.218
68 HG SER 10 HG SER 10 -7.141 10.275 0.033
69 H ALA 11 H ALA 11 -5.378 11.559 1.792
70 HA ALA 11 HA ALA 11 -3.290 13.490 2.041
71 HB1 ALA 11 HB1 ALA 11 -4.918 12.569 4.370
72 HB2 ALA 11 HB2 ALA 11 -4.345 14.189 3.970
73 HB3 ALA 11 HB3 ALA 11 -5.682 13.479 3.066
74 H GLY 12 H GLY 12 -3.628 10.163 2.889
75 HA2 GLY 12 HA2 GLY 12 -1.061 10.314 4.345
76 HA3 GLY 12 HA3 GLY 12 -2.362 9.247 4.854
77 H GLN 13 H GLN 13 -1.866 9.659 1.471
78 HA GLN 13 HA GLN 13 -0.707 6.956 1.349
79 HB2 GLN 13 HB2 GLN 13 -2.795 8.332 -0.205
80 HB3 GLN 13 HB3 GLN 13 -1.642 7.421 -1.171
81 HG2 GLN 13 HG2 GLN 13 -2.107 5.451 0.306
82 HG3 GLN 13 HG3 GLN 13 -3.417 6.389 1.022
83 HE21 GLN 13 HE21 GLN 13 -2.268 5.966 -2.307
84 HE22 GLN 13 HE22 GLN 13 -3.789 5.457 -2.949
85 H THR 14 H THR 14 0.458 6.634 -0.878
86 HA THR 14 HA THR 14 2.087 8.985 -1.530
87 HB THR 14 HB THR 14 3.493 6.364 -1.305
88 HG1 THR 14 HG1 THR 14 3.534 6.405 0.831
89 HG21 THR 14 HG21 THR 14 5.021 7.863 -2.049
90 HG22 THR 14 HG22 THR 14 5.158 8.249 -0.333
91 HG23 THR 14 HG23 THR 14 4.148 9.243 -1.383
92 H CYS 15 H CYS 15 3.472 8.567 -3.495
93 HA CYS 15 HA CYS 15 2.076 6.771 -5.369
94 HB2 CYS 15 HB2 CYS 15 3.221 9.516 -5.922
95 HB3 CYS 15 HB3 CYS 15 2.567 8.434 -7.147
96 H CYS 16 H CYS 16 3.306 5.571 -6.758
97 HA CYS 16 HA CYS 16 5.871 4.823 -6.028
98 HB2 CYS 16 HB2 CYS 16 4.517 4.600 -8.723
99 HB3 CYS 16 HB3 CYS 16 6.005 3.765 -8.287
100 H LYS 17 H LYS 17 7.761 4.884 -7.709
101 HA LYS 17 HA LYS 17 8.743 7.511 -7.771
102 HB2 LYS 17 HB2 LYS 17 9.980 5.211 -7.884
103 HB3 LYS 17 HB3 LYS 17 9.786 5.395 -9.622
104 HG2 LYS 17 HG2 LYS 17 11.648 6.591 -9.625
105 HG3 LYS 17 HG3 LYS 17 10.777 7.847 -8.740
106 HD2 LYS 17 HD2 LYS 17 11.996 5.527 -7.289
107 HD3 LYS 17 HD3 LYS 17 12.986 6.910 -7.760
108 HE2 LYS 17 HE2 LYS 17 12.342 7.700 -5.746
109 HE3 LYS 17 HE3 LYS 17 10.903 8.190 -6.640
110 HZ1 LYS 17 HZ1 LYS 17 9.792 7.013 -5.133
111 HZ2 LYS 17 HZ2 LYS 17 11.181 6.232 -4.565
112 HZ3 LYS 17 HZ3 LYS 17 10.365 5.628 -5.918
113 H HIS 18 H HIS 18 9.330 8.809 -9.625
114 HA HIS 18 HA HIS 18 8.861 9.936 -11.545
115 HB2 HIS 18 HB2 HIS 18 8.486 7.099 -12.259
116 HB3 HIS 18 HB3 HIS 18 7.684 8.246 -13.327
117 HD1 HIS 18 HD1 HIS 18 9.100 8.741 -15.277
118 HD2 HIS 18 HD2 HIS 18 11.370 8.162 -11.846
119 HE1 HIS 18 HE1 HIS 18 11.490 9.067 -15.989
120 H LEU 19 H LEU 19 6.790 9.436 -9.388
121 HA LEU 19 HA LEU 19 4.543 10.546 -10.894
122 HB2 LEU 19 HB2 LEU 19 4.288 8.269 -8.935
123 HB3 LEU 19 HB3 LEU 19 2.946 9.129 -9.686
124 HG LEU 19 HG LEU 19 4.928 7.809 -11.467
125 HD11 LEU 19 HD11 LEU 19 4.679 5.831 -10.469
126 HD12 LEU 19 HD12 LEU 19 3.028 5.862 -11.086
127 HD13 LEU 19 HD13 LEU 19 3.366 6.414 -9.445
128 HD21 LEU 19 HD21 LEU 19 1.964 8.330 -11.502
129 HD22 LEU 19 HD22 LEU 19 2.782 7.329 -12.702
130 HD23 LEU 19 HD23 LEU 19 3.207 9.034 -12.538
131 H VAL 20 H VAL 20 2.938 11.597 -9.489
132 HA VAL 20 HA VAL 20 3.883 12.271 -6.807
133 HB VAL 20 HB VAL 20 3.388 14.709 -7.274
134 HG11 VAL 20 HG11 VAL 20 5.725 13.409 -8.669
135 HG12 VAL 20 HG12 VAL 20 5.609 15.124 -8.273
136 HG13 VAL 20 HG13 VAL 20 5.655 13.922 -6.983
137 HG21 VAL 20 HG21 VAL 20 2.584 13.684 -9.751
138 HG22 VAL 20 HG22 VAL 20 2.706 15.380 -9.282
139 HG23 VAL 20 HG23 VAL 20 4.069 14.582 -10.066
140 H CYS 21 H CYS 21 2.273 12.792 -5.374
141 HA CYS 21 HA CYS 21 -0.360 11.945 -6.014
142 HB2 CYS 21 HB2 CYS 21 0.444 11.631 -3.773
143 HB3 CYS 21 HB3 CYS 21 0.780 13.350 -3.594
144 H SER 22 H SER 22 -1.302 13.180 -7.586
145 HA SER 22 HA SER 22 -1.267 16.041 -7.533
146 HB2 SER 22 HB2 SER 22 -1.532 14.468 -9.578
147 HB3 SER 22 HB3 SER 22 -3.234 14.407 -9.119
148 HG SER 22 HG SER 22 -2.844 16.881 -9.077
149 H ARG 23 H ARG 23 -2.216 16.933 -5.779
150 HA ARG 23 HA ARG 23 -4.594 15.938 -4.580
151 HB2 ARG 23 HB2 ARG 23 -3.269 18.644 -4.319
152 HB3 ARG 23 HB3 ARG 23 -4.549 18.037 -3.278
153 HG2 ARG 23 HG2 ARG 23 -3.148 16.377 -2.356
154 HG3 ARG 23 HG3 ARG 23 -1.916 16.630 -3.594
155 HD2 ARG 23 HD2 ARG 23 -1.178 18.600 -2.646
156 HD3 ARG 23 HD3 ARG 23 -2.707 18.896 -1.820
157 HE ARG 23 HE ARG 23 -0.470 17.430 -0.819
158 HH11 ARG 23 HH11 ARG 23 -3.940 17.689 -0.710
159 HH12 ARG 23 HH12 ARG 23 -4.074 16.986 0.868
160 HH21 ARG 23 HH21 ARG 23 -0.633 16.503 1.259
161 HH22 ARG 23 HH22 ARG 23 -2.192 16.313 1.987
162 H ARG 24 H ARG 24 -4.010 17.846 -7.330
163 HA ARG 24 HA ARG 24 -6.592 19.181 -7.256
164 HB2 ARG 24 HB2 ARG 24 -4.260 19.246 -9.156
165 HB3 ARG 24 HB3 ARG 24 -5.804 19.978 -9.573
166 HG2 ARG 24 HG2 ARG 24 -5.294 20.993 -7.070
167 HG3 ARG 24 HG3 ARG 24 -3.697 20.935 -7.818
168 HD2 ARG 24 HD2 ARG 24 -5.363 21.917 -9.811
169 HD3 ARG 24 HD3 ARG 24 -5.928 22.707 -8.340
170 HE ARG 24 HE ARG 24 -3.506 23.232 -9.732
171 HH11 ARG 24 HH11 ARG 24 -4.912 23.112 -6.550
172 HH12 ARG 24 HH12 ARG 24 -3.806 24.263 -5.876
173 HH21 ARG 24 HH21 ARG 24 -2.045 24.749 -8.857
174 HH22 ARG 24 HH22 ARG 24 -2.177 25.194 -7.189
175 H HIS 25 H HIS 25 -4.932 16.678 -9.132
176 HA HIS 25 HA HIS 25 -7.236 16.177 -10.790
177 HB2 HIS 25 HB2 HIS 25 -4.495 15.001 -10.539
178 HB3 HIS 25 HB3 HIS 25 -5.742 14.094 -11.390
179 HD1 HIS 25 HD1 HIS 25 -6.502 14.984 -13.675
180 HD2 HIS 25 HD2 HIS 25 -3.621 17.343 -11.833
181 HE1 HIS 25 HE1 HIS 25 -5.707 16.580 -15.448
182 H GLY 26 H GLY 26 -5.877 14.907 -7.845
183 HA2 GLY 26 HA2 GLY 26 -7.063 13.660 -6.251
184 HA3 GLY 26 HA3 GLY 26 -8.266 13.280 -7.475
185 H TRP 27 H TRP 27 -5.033 12.834 -8.462
186 HA TRP 27 HA TRP 27 -4.761 10.132 -7.525
187 HB2 TRP 27 HB2 TRP 27 -4.812 9.081 -9.757
188 HB3 TRP 27 HB3 TRP 27 -6.375 9.762 -9.316
189 HD1 TRP 27 HD1 TRP 27 -3.262 11.078 -11.252
190 HE1 TRP 27 HE1 TRP 27 -4.110 12.341 -13.328
191 HE3 TRP 27 HE3 TRP 27 -8.294 10.526 -10.539
192 HZ2 TRP 27 HZ2 TRP 27 -6.584 13.014 -14.507
193 HZ3 TRP 27 HZ3 TRP 27 -9.834 11.510 -12.187
194 HH2 TRP 27 HH2 TRP 27 -8.995 12.729 -14.129
195 H CYS 28 H CYS 28 -2.777 9.096 -8.390
196 HA CYS 28 HA CYS 28 -0.600 10.897 -8.303
197 HB2 CYS 28 HB2 CYS 28 -0.634 8.000 -9.177
198 HB3 CYS 28 HB3 CYS 28 0.796 8.925 -8.730
199 H VAL 29 H VAL 29 0.363 12.019 -9.862
200 HA VAL 29 HA VAL 29 -0.220 11.300 -12.661
201 HB VAL 29 HB VAL 29 0.217 13.694 -13.198
202 HG11 VAL 29 HG11 VAL 29 -2.049 12.698 -11.591
203 HG12 VAL 29 HG12 VAL 29 -1.931 14.450 -11.771
204 HG13 VAL 29 HG13 VAL 29 -2.026 13.420 -13.200
205 HG21 VAL 29 HG21 VAL 29 1.564 14.376 -11.353
206 HG22 VAL 29 HG22 VAL 29 0.068 15.306 -11.281
207 HG23 VAL 29 HG23 VAL 29 0.308 13.937 -10.196
208 H TRP 30 H TRP 30 1.471 11.901 -14.230
209 HA TRP 30 HA TRP 30 3.944 10.780 -13.580
210 HB2 TRP 30 HB2 TRP 30 3.153 12.600 -15.859
211 HB3 TRP 30 HB3 TRP 30 4.715 11.792 -15.753
212 HD1 TRP 30 HD1 TRP 30 1.739 11.371 -17.592
213 HE1 TRP 30 HE1 TRP 30 1.235 8.911 -18.159
214 HE3 TRP 30 HE3 TRP 30 4.839 9.108 -14.215
215 HZ2 TRP 30 HZ2 TRP 30 2.044 6.350 -17.289
216 HZ3 TRP 30 HZ3 TRP 30 4.914 6.649 -14.146
217 HH2 TRP 30 HH2 TRP 30 3.544 5.301 -15.652
218 H ASP 31 H ASP 31 5.705 11.547 -12.612
219 HA ASP 31 HA ASP 31 5.743 14.285 -11.690
220 HB2 ASP 31 HB2 ASP 31 6.451 12.399 -10.236
221 HB3 ASP 31 HB3 ASP 31 7.810 12.108 -11.317
222 H GLY 32 H GLY 32 6.687 15.926 -12.702
223 HA2 GLY 32 HA2 GLY 32 8.764 16.795 -13.679
224 HA3 GLY 32 HA3 GLY 32 8.845 15.317 -14.626
225 H THR 33 H THR 33 5.823 15.565 -14.983
226 HA THR 33 HA THR 33 5.899 17.645 -17.071
227 HB THR 33 HB THR 33 5.903 15.367 -18.033
228 HG1 THR 33 HG1 THR 33 4.553 16.013 -19.568
229 HG21 THR 33 HG21 THR 33 4.136 13.836 -17.718
230 HG22 THR 33 HG22 THR 33 3.126 15.041 -16.921
231 HG23 THR 33 HG23 THR 33 4.548 14.399 -16.099
232 H PHE 34 H PHE 34 4.028 16.037 -14.586
233 HA PHE 34 HA PHE 34 1.515 17.100 -14.989
234 HB2 PHE 34 HB2 PHE 34 1.059 16.629 -12.707
235 HB3 PHE 34 HB3 PHE 34 2.243 15.430 -13.216
236 HD1 PHE 34 HD2 PHE 34 4.746 16.093 -12.777
237 HD2 PHE 34 HD1 PHE 34 1.403 17.760 -10.738
238 HE1 PHE 34 HE2 PHE 34 6.214 16.751 -10.916
239 HE2 PHE 34 HE1 PHE 34 2.866 18.421 -8.873
240 HZ PHE 34 HZ PHE 34 5.275 17.916 -8.960
241 H SER 35 H SER 35 0.444 18.804 -13.599
242 HA SER 35 HA SER 35 1.986 21.264 -13.852
243 HB2 SER 35 HB2 SER 35 -0.150 21.470 -14.833
244 HB3 SER 35 HB3 SER 35 -0.944 20.669 -13.477
245 HG SER 35 HG SER 35 -1.332 22.764 -13.104
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