NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
492904 |
2rn5   |
11016 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 -2.624 7.166 1.867
2 H2 GLY 1 H2 GLY 1 -4.216 7.372 1.524
3 H3 GLY 1 H3 GLY 1 -3.074 8.165 0.640
4 HA2 GLY 1 HA2 GLY 1 -3.559 5.260 0.710
5 HA3 GLY 1 HA3 GLY 1 -3.971 6.345 -0.631
6 H ILE 2 H ILE 2 -2.178 3.959 -0.503
7 HA ILE 2 HA ILE 2 0.530 4.623 -0.296
8 HB ILE 2 HB ILE 2 -0.371 2.408 -0.069
9 HG12 ILE 2 HG12 ILE 2 1.591 2.247 -2.341
10 HG13 ILE 2 HG13 ILE 2 2.071 2.890 -0.764
11 HG21 ILE 2 HG21 ILE 2 -0.960 0.987 -2.031
12 HG22 ILE 2 HG22 ILE 2 -2.057 2.349 -1.870
13 HG23 ILE 2 HG23 ILE 2 -0.775 2.388 -3.098
14 HD11 ILE 2 HD11 ILE 2 0.947 0.094 -1.198
15 HD12 ILE 2 HD12 ILE 2 2.659 0.507 -1.014
16 HD13 ILE 2 HD13 ILE 2 1.541 0.787 0.330
17 H VAL 3 H VAL 3 -1.423 5.317 -3.059
18 HA VAL 3 HA VAL 3 0.541 5.671 -5.098
19 HB VAL 3 HB VAL 3 -1.981 7.203 -4.416
20 HG11 VAL 3 HG11 VAL 3 -0.630 8.942 -5.484
21 HG12 VAL 3 HG12 VAL 3 -0.161 7.824 -6.784
22 HG13 VAL 3 HG13 VAL 3 -1.847 8.370 -6.621
23 HG21 VAL 3 HG21 VAL 3 -1.291 5.622 -6.917
24 HG22 VAL 3 HG22 VAL 3 -2.024 4.871 -5.488
25 HG23 VAL 3 HG23 VAL 3 -2.887 6.149 -6.367
26 H GLU 4 H GLU 4 -0.284 7.777 -2.296
27 HA GLU 4 HA GLU 4 1.550 9.899 -3.034
28 HB2 GLU 4 HB2 GLU 4 0.122 9.248 -0.429
29 HB3 GLU 4 HB3 GLU 4 1.099 10.689 -0.667
30 HG2 GLU 4 HG2 GLU 4 -1.339 10.003 -2.356
31 HG3 GLU 4 HG3 GLU 4 -1.345 11.067 -0.953
32 H GLN 5 H GLN 5 2.289 6.810 -1.950
33 HA GLN 5 HA GLN 5 4.937 7.739 -0.901
34 HB2 GLN 5 HB2 GLN 5 3.769 6.215 0.654
35 HB3 GLN 5 HB3 GLN 5 3.618 5.004 -0.630
36 HG2 GLN 5 HG2 GLN 5 6.137 4.976 -0.836
37 HG3 GLN 5 HG3 GLN 5 6.231 6.083 0.533
38 HE21 GLN 5 HE21 GLN 5 7.427 3.437 0.366
39 HE22 GLN 5 HE22 GLN 5 6.629 2.467 1.628
40 H CYS 6 HN CYS 6 3.488 5.087 -2.920
41 HA CYS 6 HA CYS 6 5.926 4.285 -4.083
42 HB2 CYS 6 HB2 CYS 6 3.067 4.113 -5.087
43 HB3 CYS 6 HB3 CYS 6 4.425 3.311 -5.855
44 H CYS 7 HN CYS 7 3.721 6.862 -5.221
45 HA CYS 7 HA CYS 7 4.867 6.927 -7.879
46 HB2 CYS 7 HB2 CYS 7 2.497 7.504 -7.190
47 HB3 CYS 7 HB3 CYS 7 3.119 9.012 -6.532
48 H THR 8 H THR 8 5.652 8.633 -4.925
49 HA THR 8 HA THR 8 7.543 10.477 -6.360
50 HB THR 8 HB THR 8 7.322 11.859 -4.269
51 HG1 THR 8 HG1 THR 8 5.530 11.363 -2.944
52 HG21 THR 8 HG21 THR 8 6.018 12.368 -6.333
53 HG22 THR 8 HG22 THR 8 5.144 12.810 -4.855
54 HG23 THR 8 HG23 THR 8 4.696 11.340 -5.747
55 H SER 9 H SER 9 7.235 8.221 -3.651
56 HA SER 9 HA SER 9 10.202 8.236 -3.249
57 HB2 SER 9 HB2 SER 9 8.759 9.036 -1.338
58 HB3 SER 9 HB3 SER 9 8.057 7.408 -1.269
59 HG SER 9 HG SER 9 9.908 7.819 0.169
60 H ILE 10 H ILE 10 10.360 5.884 -1.873
61 HA ILE 10 HA ILE 10 9.932 3.840 -4.029
62 HB ILE 10 HB ILE 10 11.725 3.935 -1.595
63 HG12 ILE 10 HG12 ILE 10 12.534 5.350 -3.443
64 HG13 ILE 10 HG13 ILE 10 13.612 4.011 -3.093
65 HG21 ILE 10 HG21 ILE 10 11.139 1.618 -1.827
66 HG22 ILE 10 HG22 ILE 10 11.402 1.660 -3.582
67 HG23 ILE 10 HG23 ILE 10 12.770 1.824 -2.459
68 HD11 ILE 10 HD11 ILE 10 13.408 4.380 -5.503
69 HD12 ILE 10 HD12 ILE 10 12.792 2.782 -5.074
70 HD13 ILE 10 HD13 ILE 10 11.662 4.111 -5.432
71 H CYS 11 HN CYS 11 8.871 1.948 -3.700
72 HA CYS 11 HA CYS 11 7.929 1.212 -1.016
73 HB2 CYS 11 HB2 CYS 11 5.645 0.975 -1.587
74 HB3 CYS 11 HB3 CYS 11 6.117 2.596 -2.058
75 H SER 12 H SER 12 6.699 -1.062 -1.332
76 HA SER 12 HA SER 12 8.201 -2.836 -3.146
77 HB2 SER 12 HB2 SER 12 9.306 -4.038 -1.357
78 HB3 SER 12 HB3 SER 12 9.798 -2.341 -1.308
79 HG SER 12 HG SER 12 9.237 -3.317 0.771
80 H LEU 13 H LEU 13 7.721 -5.114 -2.829
81 HA LEU 13 HA LEU 13 4.971 -5.533 -3.085
82 HB2 LEU 13 HB2 LEU 13 7.014 -7.628 -2.300
83 HB3 LEU 13 HB3 LEU 13 5.497 -7.885 -3.165
84 HG LEU 13 HG LEU 13 8.062 -6.612 -4.144
85 HD11 LEU 13 HD11 LEU 13 7.997 -8.424 -5.812
86 HD12 LEU 13 HD12 LEU 13 6.473 -9.015 -5.129
87 HD13 LEU 13 HD13 LEU 13 7.964 -9.060 -4.157
88 HD21 LEU 13 HD21 LEU 13 7.047 -6.193 -6.330
89 HD22 LEU 13 HD22 LEU 13 6.230 -5.233 -5.101
90 HD23 LEU 13 HD23 LEU 13 5.463 -6.707 -5.730
91 H TYR 14 H TYR 14 6.951 -5.987 -0.164
92 HA TYR 14 HA TYR 14 4.970 -7.193 1.503
93 HB2 TYR 14 HB2 TYR 14 7.372 -7.150 1.987
94 HB3 TYR 14 HB3 TYR 14 7.341 -5.398 2.136
95 HD1 TYR 14 HD1 TYR 14 5.912 -8.539 3.625
96 HD2 TYR 14 HD2 TYR 14 6.921 -4.393 4.248
97 HE1 TYR 14 HE1 TYR 14 5.385 -8.778 6.043
98 HE2 TYR 14 HE2 TYR 14 6.388 -4.622 6.666
99 HH TYR 14 HH TYR 14 5.267 -7.720 8.094
100 H GLN 15 H GLN 15 5.395 -3.847 0.513
101 HA GLN 15 HA GLN 15 3.439 -2.810 2.510
102 HB2 GLN 15 HB2 GLN 15 5.051 -1.433 0.313
103 HB3 GLN 15 HB3 GLN 15 3.984 -0.622 1.460
104 HG2 GLN 15 HG2 GLN 15 5.368 -1.308 3.349
105 HG3 GLN 15 HG3 GLN 15 6.397 -2.299 2.318
106 HE21 GLN 15 HE22 GLN 15 7.960 -1.271 0.906
107 HE22 GLN 15 HE21 GLN 15 8.411 0.402 1.229
108 H LEU 16 H LEU 16 3.632 -3.671 -0.948
109 HA LEU 16 HA LEU 16 0.969 -2.754 -1.633
110 HB2 LEU 16 HB2 LEU 16 2.730 -4.951 -2.808
111 HB3 LEU 16 HB3 LEU 16 1.247 -4.374 -3.529
112 HG LEU 16 HG LEU 16 3.820 -2.790 -3.151
113 HD11 LEU 16 HD11 LEU 16 3.860 -2.775 -5.612
114 HD12 LEU 16 HD12 LEU 16 2.382 -3.762 -5.649
115 HD13 LEU 16 HD13 LEU 16 3.889 -4.422 -4.977
116 HD21 LEU 16 HD21 LEU 16 2.746 -0.980 -4.433
117 HD22 LEU 16 HD22 LEU 16 1.944 -1.230 -2.887
118 HD23 LEU 16 HD23 LEU 16 1.197 -1.846 -4.376
119 H GLU 17 H GLU 17 2.178 -5.865 -0.376
120 HA GLU 17 HA GLU 17 -0.170 -7.385 -0.346
121 HB2 GLU 17 HB2 GLU 17 2.138 -7.235 1.610
122 HB3 GLU 17 HB3 GLU 17 0.769 -8.311 1.884
123 HG2 GLU 17 HG2 GLU 17 1.151 -9.376 -0.331
124 HG3 GLU 17 HG3 GLU 17 2.602 -8.394 -0.529
125 H ASN 18 H ASN 18 0.556 -4.638 1.812
126 HA ASN 18 HA ASN 18 -1.424 -5.190 3.782
127 HB2 ASN 18 HB2 ASN 18 0.514 -3.651 4.020
128 HB3 ASN 18 HB3 ASN 18 -0.258 -2.537 2.886
129 HD21 ASN 18 HD22 ASN 18 -0.869 -4.259 6.021
130 HD22 ASN 18 HD21 ASN 18 -1.788 -2.940 6.723
131 H TYR 19 H TYR 19 -1.801 -4.076 0.530
132 HA TYR 19 HA TYR 19 -4.557 -3.025 1.015
133 HB2 TYR 19 HB2 TYR 19 -2.544 -2.553 -1.199
134 HB3 TYR 19 HB3 TYR 19 -4.206 -1.993 -1.252
135 HD1 TYR 19 HD2 TYR 19 -5.055 -0.338 0.444
136 HD2 TYR 19 HD1 TYR 19 -0.900 -1.461 0.252
137 HE1 TYR 19 HE2 TYR 19 -4.464 1.656 1.799
138 HE2 TYR 19 HE1 TYR 19 -0.310 0.487 1.680
139 HH TYR 19 HH TYR 19 -2.768 2.832 2.832
140 H CYS 20 HN CYS 20 -3.254 -5.947 0.226
141 HA CYS 20 HA CYS 20 -4.893 -6.680 -2.052
142 HB2 CYS 20 HB2 CYS 20 -3.400 -8.346 0.000
143 HB3 CYS 20 HB3 CYS 20 -4.217 -9.002 -1.412
144 H ASN 21 H ASN 21 -6.711 -7.802 -2.209
145 HA ASN 21 HA ASN 21 -8.663 -7.833 0.011
146 HB2 ASN 21 HB2 ASN 21 -9.355 -7.125 -2.247
147 HB3 ASN 21 HB3 ASN 21 -8.728 -8.634 -2.916
148 HD21 ASN 21 HD21 ASN 21 -10.431 -9.727 -3.684
149 HD22 ASN 21 HD22 ASN 21 -11.904 -10.038 -2.765
150 H1 PHE 1 H1 PHE 1 12.683 -4.661 -10.542
151 H2 PHE 1 H2 PHE 1 12.381 -3.166 -9.938
152 H3 PHE 1 H3 PHE 1 11.740 -3.601 -11.358
153 HA PHE 1 HA PHE 1 10.035 -3.670 -9.713
154 HB2 PHE 1 HB2 PHE 1 10.047 -5.372 -11.566
155 HB3 PHE 1 HB3 PHE 1 10.827 -6.517 -10.456
156 HD1 PHE 1 HD2 PHE 1 7.836 -4.239 -10.691
157 HD2 PHE 1 HD1 PHE 1 9.399 -8.021 -9.318
158 HE1 PHE 1 HE2 PHE 1 5.578 -4.869 -9.838
159 HE2 PHE 1 HE1 PHE 1 7.144 -8.641 -8.462
160 HZ PHE 1 HZ PHE 1 5.231 -7.055 -8.733
161 H VAL 2 H VAL 2 9.248 -5.361 -7.873
162 HA VAL 2 HA VAL 2 9.367 -6.285 -5.862
163 HB VAL 2 HB VAL 2 12.404 -6.298 -5.958
164 HG11 VAL 2 HG11 VAL 2 10.417 -7.838 -4.227
165 HG12 VAL 2 HG12 VAL 2 12.177 -8.096 -4.268
166 HG13 VAL 2 HG13 VAL 2 11.539 -6.573 -3.676
167 HG21 VAL 2 HG21 VAL 2 10.355 -8.452 -6.754
168 HG22 VAL 2 HG22 VAL 2 11.460 -7.610 -7.857
169 HG23 VAL 2 HG23 VAL 2 12.109 -8.693 -6.633
170 H ASN 3 H ASN 3 11.922 -3.798 -6.062
171 HA ASN 3 HA ASN 3 10.610 -2.183 -3.940
172 HB2 ASN 3 HB2 ASN 3 12.328 -3.509 -2.791
173 HB3 ASN 3 HB3 ASN 3 13.531 -3.046 -3.993
174 HD21 ASN 3 HD21 ASN 3 14.459 -0.905 -3.904
175 HD22 ASN 3 HD22 ASN 3 14.202 0.125 -2.509
176 H GLN 4 H GLN 4 10.134 -0.275 -5.011
177 HA GLN 4 HA GLN 4 11.995 1.091 -6.811
178 HB2 GLN 4 HB2 GLN 4 10.999 -1.126 -7.974
179 HB3 GLN 4 HB3 GLN 4 9.534 -0.171 -8.087
180 HG2 GLN 4 HG2 GLN 4 10.953 1.546 -9.420
181 HG3 GLN 4 HG3 GLN 4 12.242 0.352 -9.394
182 HE21 GLN 4 HE21 GLN 4 8.926 1.051 -10.538
183 HE22 GLN 4 HE22 GLN 4 8.924 -0.223 -11.759
184 H HIS 5 H HIS 5 10.710 2.806 -8.129
185 HA HIS 5 HA HIS 5 8.495 4.030 -6.598
186 HB2 HIS 5 HB2 HIS 5 9.737 4.771 -9.296
187 HB3 HIS 5 HB3 HIS 5 8.579 5.723 -8.385
188 HD1 HIS 5 HD1 HIS 5 9.584 6.741 -5.977
189 HD2 HIS 5 HD2 HIS 5 12.279 5.247 -8.823
190 HE1 HIS 5 HE1 HIS 5 11.831 7.854 -5.478
191 H LEU 6 H LEU 6 6.343 3.948 -7.424
192 HA LEU 6 HA LEU 6 5.701 2.617 -9.990
193 HB2 LEU 6 HB2 LEU 6 4.713 1.667 -7.261
194 HB3 LEU 6 HB3 LEU 6 3.950 1.217 -8.775
195 HG LEU 6 HG LEU 6 6.833 0.520 -8.079
196 HD11 LEU 6 HD11 LEU 6 4.270 -1.088 -7.784
197 HD12 LEU 6 HD12 LEU 6 5.338 -0.543 -6.480
198 HD13 LEU 6 HD13 LEU 6 5.914 -1.756 -7.637
199 HD21 LEU 6 HD21 LEU 6 4.926 -0.530 -10.228
200 HD22 LEU 6 HD22 LEU 6 6.565 -1.135 -9.911
201 HD23 LEU 6 HD23 LEU 6 6.335 0.509 -10.526
202 H CYS 7 HN CYS 7 3.943 3.615 -10.966
203 HA CYS 7 HA CYS 7 1.955 4.994 -9.265
204 HB2 CYS 7 HB2 CYS 7 3.955 6.503 -9.870
205 HB3 CYS 7 HB3 CYS 7 3.306 6.531 -11.500
206 H GLY 8 H GLY 8 -0.021 5.334 -10.150
207 HA2 GLY 8 HA2 GLY 8 -1.863 4.972 -11.511
208 HA3 GLY 8 HA3 GLY 8 -0.759 5.244 -12.861
209 H SER 9 H SER 9 -0.972 3.699 -14.310
210 HA SER 9 HA SER 9 -2.098 1.118 -14.029
211 HB2 SER 9 HB2 SER 9 -0.929 0.707 -16.225
212 HB3 SER 9 HB3 SER 9 -1.951 2.152 -16.172
213 HG SER 9 HG SER 9 0.108 2.562 -17.151
214 H HIS 10 H HIS 10 1.373 2.082 -13.839
215 HA HIS 10 HA HIS 10 2.435 -0.534 -13.638
216 HB2 HIS 10 HB2 HIS 10 3.543 1.947 -12.269
217 HB3 HIS 10 HB3 HIS 10 4.428 0.551 -12.857
218 HD1 HIS 10 HD1 HIS 10 2.993 3.856 -14.027
219 HD2 HIS 10 HD2 HIS 10 4.824 0.401 -15.583
220 HE1 HIS 10 HE1 HIS 10 3.697 4.431 -16.412
221 H LEU 11 H LEU 11 1.256 1.664 -11.075
222 HA LEU 11 HA LEU 11 1.915 -0.101 -8.866
223 HB2 LEU 11 HB2 LEU 11 1.699 2.355 -8.658
224 HB3 LEU 11 HB3 LEU 11 -0.004 2.265 -9.088
225 HG LEU 11 HG LEU 11 -0.507 1.037 -7.023
226 HD11 LEU 11 HD11 LEU 11 1.240 0.847 -5.237
227 HD12 LEU 11 HD12 LEU 11 2.469 1.326 -6.428
228 HD13 LEU 11 HD13 LEU 11 1.573 -0.195 -6.623
229 HD21 LEU 11 HD21 LEU 11 -0.561 3.486 -7.066
230 HD22 LEU 11 HD22 LEU 11 1.138 3.563 -6.549
231 HD23 LEU 11 HD23 LEU 11 -0.101 2.894 -5.461
232 H VAL 12 H VAL 12 -1.045 0.496 -10.745
233 HA VAL 12 HA VAL 12 -2.755 -1.336 -9.361
234 HB VAL 12 HB VAL 12 -2.774 -0.231 -12.177
235 HG11 VAL 12 HG11 VAL 12 -4.863 -2.072 -10.954
236 HG12 VAL 12 HG12 VAL 12 -5.126 -1.063 -12.390
237 HG13 VAL 12 HG13 VAL 12 -3.925 -2.352 -12.437
238 HG21 VAL 12 HG21 VAL 12 -3.286 1.318 -10.290
239 HG22 VAL 12 HG22 VAL 12 -4.692 1.066 -11.330
240 HG23 VAL 12 HG23 VAL 12 -4.586 0.234 -9.763
241 H GLU 13 H GLU 13 -0.630 -1.886 -12.246
242 HA GLU 13 HA GLU 13 -1.218 -4.694 -12.435
243 HB2 GLU 13 HB2 GLU 13 1.110 -3.008 -13.424
244 HB3 GLU 13 HB3 GLU 13 0.999 -4.749 -13.694
245 HG2 GLU 13 HG2 GLU 13 -1.211 -4.451 -14.796
246 HG3 GLU 13 HG3 GLU 13 -1.058 -2.704 -14.629
247 H ALA 14 H ALA 14 1.391 -2.941 -10.621
248 HA ALA 14 HA ALA 14 2.664 -5.299 -9.647
249 HB1 ALA 14 HB1 ALA 14 3.643 -3.795 -7.980
250 HB2 ALA 14 HB2 ALA 14 3.643 -3.020 -9.573
251 HB3 ALA 14 HB3 ALA 14 2.431 -2.549 -8.358
252 H LEU 15 H LEU 15 -0.085 -3.408 -8.261
253 HA LEU 15 HA LEU 15 -0.489 -5.094 -5.972
254 HB2 LEU 15 HB2 LEU 15 -2.354 -3.341 -7.613
255 HB3 LEU 15 HB3 LEU 15 -2.896 -4.236 -6.193
256 HG LEU 15 HG LEU 15 -0.577 -2.293 -6.000
257 HD11 LEU 15 HD11 LEU 15 -3.539 -1.687 -5.584
258 HD12 LEU 15 HD12 LEU 15 -2.517 -1.041 -6.887
259 HD13 LEU 15 HD13 LEU 15 -2.187 -0.597 -5.207
260 HD21 LEU 15 HD21 LEU 15 -0.916 -3.927 -4.125
261 HD22 LEU 15 HD22 LEU 15 -2.578 -3.347 -3.935
262 HD23 LEU 15 HD23 LEU 15 -1.207 -2.259 -3.617
263 H TYR 16 H TYR 16 -1.909 -5.398 -9.316
264 HA TYR 16 HA TYR 16 -3.271 -7.842 -8.669
265 HB2 TYR 16 HB2 TYR 16 -2.313 -6.653 -11.293
266 HB3 TYR 16 HB3 TYR 16 -3.116 -8.206 -11.219
267 HD1 TYR 16 HD2 TYR 16 -5.333 -8.060 -9.472
268 HD2 TYR 16 HD1 TYR 16 -3.796 -5.018 -12.120
269 HE1 TYR 16 HE2 TYR 16 -7.587 -7.024 -9.585
270 HE2 TYR 16 HE1 TYR 16 -6.065 -4.008 -12.275
271 HH TYR 16 HH TYR 16 -8.261 -4.111 -11.574
272 H LEU 17 H LEU 17 0.108 -7.353 -9.757
273 HA LEU 17 HA LEU 17 0.716 -10.171 -9.976
274 HB2 LEU 17 HB2 LEU 17 2.428 -7.701 -9.467
275 HB3 LEU 17 HB3 LEU 17 3.115 -9.309 -9.598
276 HG LEU 17 HG LEU 17 1.447 -8.059 -11.820
277 HD11 LEU 17 HD11 LEU 17 3.455 -6.683 -11.396
278 HD12 LEU 17 HD12 LEU 17 3.602 -7.560 -12.926
279 HD13 LEU 17 HD13 LEU 17 4.480 -8.134 -11.486
280 HD21 LEU 17 HD21 LEU 17 3.346 -10.451 -11.779
281 HD22 LEU 17 HD22 LEU 17 2.571 -9.772 -13.229
282 HD23 LEU 17 HD23 LEU 17 1.578 -10.507 -11.971
283 H VAL 18 H VAL 18 1.004 -7.912 -7.217
284 HA VAL 18 HA VAL 18 2.097 -9.910 -5.446
285 HB VAL 18 HB VAL 18 0.845 -7.191 -4.934
286 HG11 VAL 18 HG11 VAL 18 1.823 -7.301 -2.654
287 HG12 VAL 18 HG12 VAL 18 0.518 -8.463 -2.849
288 HG13 VAL 18 HG13 VAL 18 2.201 -9.024 -2.907
289 HG21 VAL 18 HG21 VAL 18 3.212 -6.585 -4.460
290 HG22 VAL 18 HG22 VAL 18 3.707 -8.254 -4.790
291 HG23 VAL 18 HG23 VAL 18 3.066 -7.249 -6.093
292 H CYS 19 HN CYS 19 -1.258 -8.630 -5.787
293 HA CYS 19 HA CYS 19 -2.265 -10.348 -3.649
294 HB2 CYS 19 HB2 CYS 19 -3.798 -8.633 -5.635
295 HB3 CYS 19 HB3 CYS 19 -4.345 -9.228 -4.070
296 H GLY 20 H GLY 20 -1.941 -10.732 -7.084
297 HA2 GLY 20 HA2 GLY 20 -2.522 -12.473 -8.501
298 HA3 GLY 20 HA3 GLY 20 -3.181 -13.359 -7.108
299 H GLU 21 H GLU 21 -4.897 -14.008 -8.448
300 HA GLU 21 HA GLU 21 -6.700 -12.337 -9.844
301 HB2 GLU 21 HB2 GLU 21 -6.368 -14.797 -10.099
302 HB3 GLU 21 HB3 GLU 21 -7.225 -15.060 -8.579
303 HG2 GLU 21 HG2 GLU 21 -9.287 -14.147 -9.556
304 HG3 GLU 21 HG3 GLU 21 -8.424 -13.673 -11.021
305 H ARG 22 H ARG 22 -6.500 -12.911 -6.390
306 HA ARG 22 HA ARG 22 -9.168 -12.240 -5.598
307 HB2 ARG 22 HB2 ARG 22 -6.509 -11.807 -4.160
308 HB3 ARG 22 HB3 ARG 22 -8.110 -11.647 -3.433
309 HG2 ARG 22 HG2 ARG 22 -8.579 -14.036 -3.864
310 HG3 ARG 22 HG3 ARG 22 -6.989 -14.220 -4.622
311 HD2 ARG 22 HD2 ARG 22 -6.869 -15.036 -2.335
312 HD3 ARG 22 HD3 ARG 22 -5.882 -13.586 -2.502
313 HE ARG 22 HE ARG 22 -7.418 -12.316 -1.237
314 HH11 ARG 22 HH21 ARG 22 -8.593 -15.662 -1.434
315 HH12 ARG 22 HH22 ARG 22 -9.747 -15.410 -0.156
316 HH21 ARG 22 HH11 ARG 22 -8.918 -12.055 0.331
317 HH22 ARG 22 HH12 ARG 22 -9.917 -13.397 0.850
318 H GLY 23 H GLY 23 -6.506 -10.203 -6.665
319 HA2 GLY 23 HA2 GLY 23 -6.413 -7.946 -7.181
320 HA3 GLY 23 HA3 GLY 23 -8.155 -7.842 -6.864
321 H PHE 24 H PHE 24 -7.438 -5.716 -6.096
322 HA PHE 24 HA PHE 24 -6.607 -5.704 -3.232
323 HB2 PHE 24 HB2 PHE 24 -5.607 -3.486 -3.738
324 HB3 PHE 24 HB3 PHE 24 -4.858 -4.821 -4.589
325 HD1 PHE 24 HD2 PHE 24 -6.996 -1.827 -4.974
326 HD2 PHE 24 HD1 PHE 24 -4.954 -5.018 -7.033
327 HE1 PHE 24 HE2 PHE 24 -7.232 -0.595 -7.113
328 HE2 PHE 24 HE1 PHE 24 -5.176 -3.779 -9.162
329 HZ PHE 24 HZ PHE 24 -6.329 -1.566 -9.212
330 H PHE 25 H PHE 25 -7.646 -4.265 -1.839
331 HA PHE 25 HA PHE 25 -10.387 -3.473 -2.636
332 HB2 PHE 25 HB2 PHE 25 -10.752 -3.093 -0.283
333 HB3 PHE 25 HB3 PHE 25 -10.075 -4.684 -0.553
334 HD1 PHE 25 HD1 PHE 25 -9.224 -1.205 0.606
335 HD2 PHE 25 HD2 PHE 25 -8.084 -5.368 0.583
336 HE1 PHE 25 HE1 PHE 25 -7.483 -0.741 2.305
337 HE2 PHE 25 HE2 PHE 25 -6.374 -4.902 2.315
338 HZ PHE 25 HZ PHE 25 -6.061 -2.590 3.173
339 H TYR 26 H TYR 26 -7.327 -2.027 -2.482
340 HA TYR 26 HA TYR 26 -7.858 0.608 -1.632
341 HB2 TYR 26 HB2 TYR 26 -5.688 -0.433 -1.708
342 HB3 TYR 26 HB3 TYR 26 -5.745 -0.600 -3.453
343 HD1 TYR 26 HD2 TYR 26 -5.893 2.025 -0.768
344 HD2 TYR 26 HD1 TYR 26 -4.693 1.012 -4.785
345 HE1 TYR 26 HE2 TYR 26 -4.860 4.272 -1.033
346 HE2 TYR 26 HE1 TYR 26 -3.622 3.225 -5.038
347 HH TYR 26 HH TYR 26 -3.281 5.278 -4.088
348 H THR 27 H THR 27 -7.944 2.581 -2.739
349 HA THR 27 HA THR 27 -8.596 2.641 -5.633
350 HB THR 27 HB THR 27 -10.210 4.521 -5.164
351 HG1 THR 27 HG1 THR 27 -9.535 4.879 -2.998
352 HG21 THR 27 HG21 THR 27 -12.101 3.092 -4.619
353 HG22 THR 27 HG22 THR 27 -11.032 1.850 -3.943
354 HG23 THR 27 HG23 THR 27 -11.001 2.201 -5.686
355 HA PRO 28 HA PRO 28 -5.075 5.178 -5.384
356 HB2 PRO 28 HB2 PRO 28 -5.181 6.695 -7.687
357 HB3 PRO 28 HB3 PRO 28 -4.788 4.951 -7.610
358 HG2 PRO 28 HG2 PRO 28 -7.480 6.231 -8.183
359 HG3 PRO 28 HG3 PRO 28 -6.662 4.920 -9.092
360 HD2 PRO 28 HD2 PRO 28 -8.566 4.354 -7.262
361 HD3 PRO 28 HD3 PRO 28 -7.100 3.336 -7.375
362 H LYS 29 H LYS 29 -5.123 6.420 -3.665
363 HA LYS 29 HA LYS 29 -5.710 7.934 -2.155
364 HB2 LYS 29 HB2 LYS 29 -4.798 10.127 -2.584
365 HB3 LYS 29 HB3 LYS 29 -3.760 8.818 -3.124
366 HG2 LYS 29 HG2 LYS 29 -4.392 9.213 -5.473
367 HG3 LYS 29 HG3 LYS 29 -5.499 10.516 -4.967
368 HD2 LYS 29 HD2 LYS 29 -3.626 11.782 -4.024
369 HD3 LYS 29 HD3 LYS 29 -2.519 10.431 -4.350
370 HE2 LYS 29 HE2 LYS 29 -2.811 10.694 -6.756
371 HE3 LYS 29 HE3 LYS 29 -3.975 12.009 -6.512
372 HZ1 LYS 29 HZ1 LYS 29 -1.593 12.713 -6.936
373 HZ2 LYS 29 HZ2 LYS 29 -1.203 12.113 -5.449
374 HZ3 LYS 29 HZ3 LYS 29 -2.250 13.353 -5.581
375 H THR 30 H THR 30 -8.061 7.149 -3.489
376 HA THR 30 HA THR 30 -9.873 9.506 -3.118
377 HB THR 30 HB THR 30 -10.445 6.761 -4.309
378 HG1 THR 30 HG1 THR 30 -10.594 8.015 -6.217
379 HG21 THR 30 HG21 THR 30 -12.466 7.713 -3.244
380 HG22 THR 30 HG22 THR 30 -12.596 7.809 -5.001
381 HG23 THR 30 HG23 THR 30 -12.186 9.265 -4.061
382 H LYS 31 H LYS 31 -9.849 9.672 -0.984
383 HA LYS 31 HA LYS 31 -10.521 9.475 1.161
384 HB2 LYS 31 HB2 LYS 31 -12.640 8.565 0.135
385 HB3 LYS 31 HB3 LYS 31 -12.007 6.941 0.351
386 HG2 LYS 31 HG2 LYS 31 -13.572 7.468 2.115
387 HG3 LYS 31 HG3 LYS 31 -11.969 7.196 2.776
388 HD2 LYS 31 HD2 LYS 31 -13.126 9.034 3.904
389 HD3 LYS 31 HD3 LYS 31 -11.663 9.623 3.113
390 HE2 LYS 31 HE2 LYS 31 -13.035 10.475 1.211
391 HE3 LYS 31 HE3 LYS 31 -14.494 9.830 1.978
392 HZ1 LYS 31 HZ1 LYS 31 -14.211 12.195 2.435
393 HZ2 LYS 31 HZ2 LYS 31 -12.756 11.945 3.130
394 HZ3 LYS 31 HZ3 LYS 31 -14.115 11.355 3.832
395 H ARG 32 H ARG 32 -9.435 6.365 -0.117
396 HA ARG 32 HA ARG 32 -8.058 5.419 2.297
397 HB2 ARG 32 HB2 ARG 32 -8.146 4.613 -0.639
398 HB3 ARG 32 HB3 ARG 32 -6.896 3.991 0.425
399 HG2 ARG 32 HG2 ARG 32 -8.725 2.397 0.258
400 HG3 ARG 32 HG3 ARG 32 -8.470 2.956 1.903
401 HD2 ARG 32 HD2 ARG 32 -10.818 2.723 1.493
402 HD3 ARG 32 HD3 ARG 32 -10.451 4.434 1.726
403 HE ARG 32 HE ARG 32 -10.380 3.941 -1.069
404 HH11 ARG 32 HH11 ARG 32 -12.845 3.854 1.431
405 HH12 ARG 32 HH12 ARG 32 -14.109 4.211 0.288
406 HH21 ARG 32 HH21 ARG 32 -11.958 4.394 -2.397
407 HH22 ARG 32 HH22 ARG 32 -13.632 4.506 -1.866
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 -3.907 7.699 2.007
2 H2 GLY 1 2H GLY 1 -2.546 8.285 1.300
3 H3 GLY 1 3H GLY 1 -2.462 7.001 2.317
4 HA2 GLY 1 HA2 GLY 1 -3.766 5.641 0.793
5 HA3 GLY 1 HA3 GLY 1 -3.796 7.016 -0.321
6 H ILE 2 H ILE 2 -2.593 4.239 -0.522
7 HA ILE 2 HA ILE 2 0.132 4.125 -0.080
8 HB ILE 2 HB ILE 2 -1.259 2.232 -0.544
9 HG12 ILE 2 HG12 ILE 2 0.994 2.318 -2.572
10 HG13 ILE 2 HG13 ILE 2 1.174 2.077 -0.821
11 HG21 ILE 2 HG21 ILE 2 -1.427 3.102 -3.454
12 HG22 ILE 2 HG22 ILE 2 -2.014 1.569 -2.792
13 HG23 ILE 2 HG23 ILE 2 -2.758 3.066 -2.287
14 HD11 ILE 2 HD11 ILE 2 -0.428 0.076 -1.102
15 HD12 ILE 2 HD12 ILE 2 -0.098 0.224 -2.841
16 HD13 ILE 2 HD13 ILE 2 1.230 -0.085 -1.706
17 H VAL 3 H VAL 3 -1.268 5.585 -2.953
18 HA VAL 3 HA VAL 3 1.117 5.810 -4.464
19 HB VAL 3 HB VAL 3 -1.247 6.179 -5.239
20 HG11 VAL 3 HG11 VAL 3 -1.896 7.860 -3.504
21 HG12 VAL 3 HG12 VAL 3 -0.873 9.050 -4.334
22 HG13 VAL 3 HG13 VAL 3 -2.266 8.346 -5.169
23 HG21 VAL 3 HG21 VAL 3 0.701 6.605 -6.684
24 HG22 VAL 3 HG22 VAL 3 -0.671 7.663 -7.051
25 HG23 VAL 3 HG23 VAL 3 0.713 8.306 -6.153
26 H GLU 4 H GLU 4 0.130 7.602 -1.635
27 HA GLU 4 HA GLU 4 1.959 9.835 -1.997
28 HB2 GLU 4 HB2 GLU 4 0.471 8.891 0.484
29 HB3 GLU 4 HB3 GLU 4 1.288 10.440 0.284
30 HG2 GLU 4 HG2 GLU 4 -0.255 11.072 -1.531
31 HG3 GLU 4 HG3 GLU 4 -1.085 9.524 -1.396
32 H GLN 5 H GLN 5 2.544 6.632 -1.428
33 HA GLN 5 HA GLN 5 5.223 7.278 -0.240
34 HB2 GLN 5 HB2 GLN 5 3.986 5.787 1.275
35 HB3 GLN 5 HB3 GLN 5 3.602 4.694 -0.053
36 HG2 GLN 5 HG2 GLN 5 5.442 3.806 1.309
37 HG3 GLN 5 HG3 GLN 5 5.967 4.110 -0.336
38 HE21 GLN 5 HE21 GLN 5 8.199 4.636 -0.110
39 HE22 GLN 5 HE22 GLN 5 8.760 5.860 1.023
40 H CYS 6 HN CYS 6 3.475 4.993 -2.451
41 HA CYS 6 HA CYS 6 5.849 4.034 -3.685
42 HB2 CYS 6 HB2 CYS 6 2.905 3.977 -4.385
43 HB3 CYS 6 HB3 CYS 6 4.109 3.274 -5.451
44 H CYS 7 HN CYS 7 3.991 6.905 -4.577
45 HA CYS 7 HA CYS 7 5.417 7.012 -7.213
46 HB2 CYS 7 HB2 CYS 7 2.952 7.154 -7.132
47 HB3 CYS 7 HB3 CYS 7 3.068 8.654 -6.208
48 H THR 8 H THR 8 4.881 8.982 -4.285
49 HA THR 8 HA THR 8 6.565 11.218 -5.064
50 HB THR 8 HB THR 8 6.331 11.745 -2.585
51 HG1 THR 8 HG1 THR 8 4.925 10.373 -1.441
52 HG21 THR 8 HG21 THR 8 4.692 12.599 -4.252
53 HG22 THR 8 HG22 THR 8 3.923 12.247 -2.691
54 HG23 THR 8 HG23 THR 8 3.717 11.124 -4.050
55 H SER 9 H SER 9 7.031 8.210 -3.275
56 HA SER 9 HA SER 9 9.983 8.556 -3.466
57 HB2 SER 9 HB2 SER 9 9.157 9.136 -1.153
58 HB3 SER 9 HB3 SER 9 8.518 7.487 -1.024
59 HG SER 9 HG SER 9 10.710 7.896 -0.132
60 H ILE 10 H ILE 10 10.391 5.995 -2.192
61 HA ILE 10 HA ILE 10 9.712 4.225 -4.517
62 HB ILE 10 HB ILE 10 11.966 4.249 -2.474
63 HG12 ILE 10 HG12 ILE 10 11.953 4.552 -5.515
64 HG13 ILE 10 HG13 ILE 10 12.087 5.888 -4.372
65 HG21 ILE 10 HG21 ILE 10 12.929 2.297 -3.644
66 HG22 ILE 10 HG22 ILE 10 11.410 1.898 -2.875
67 HG23 ILE 10 HG23 ILE 10 11.459 2.185 -4.635
68 HD11 ILE 10 HD11 ILE 10 14.268 5.454 -5.198
69 HD12 ILE 10 HD12 ILE 10 14.227 4.891 -3.512
70 HD13 ILE 10 HD13 ILE 10 14.150 3.724 -4.858
71 H CYS 11 HN CYS 11 8.976 2.099 -4.233
72 HA CYS 11 HA CYS 11 8.541 1.090 -1.524
73 HB2 CYS 11 HB2 CYS 11 6.220 0.718 -1.659
74 HB3 CYS 11 HB3 CYS 11 6.476 2.389 -2.098
75 H SER 12 H SER 12 7.020 -1.200 -2.214
76 HA SER 12 HA SER 12 8.632 -2.708 -4.189
77 HB2 SER 12 HB2 SER 12 9.988 -2.550 -2.085
78 HB3 SER 12 HB3 SER 12 8.649 -3.289 -1.203
79 HG SER 12 HG SER 12 9.437 -5.137 -1.781
80 H LEU 13 H LEU 13 7.766 -4.808 -4.657
81 HA LEU 13 HA LEU 13 4.917 -5.070 -4.515
82 HB2 LEU 13 HB2 LEU 13 7.000 -7.198 -5.109
83 HB3 LEU 13 HB3 LEU 13 5.288 -7.274 -5.497
84 HG LEU 13 HG LEU 13 7.344 -5.389 -6.722
85 HD11 LEU 13 HD11 LEU 13 5.684 -7.641 -7.938
86 HD12 LEU 13 HD12 LEU 13 7.397 -7.754 -7.499
87 HD13 LEU 13 HD13 LEU 13 6.889 -6.640 -8.780
88 HD21 LEU 13 HD21 LEU 13 5.556 -4.641 -8.254
89 HD22 LEU 13 HD22 LEU 13 5.219 -4.166 -6.591
90 HD23 LEU 13 HD23 LEU 13 4.358 -5.543 -7.310
91 H TYR 14 H TYR 14 7.439 -6.220 -2.361
92 HA TYR 14 HA TYR 14 5.890 -8.019 -0.763
93 HB2 TYR 14 HB2 TYR 14 8.364 -7.804 -0.770
94 HB3 TYR 14 HB3 TYR 14 8.224 -6.208 -0.043
95 HD1 TYR 14 HD1 TYR 14 7.800 -9.853 0.504
96 HD2 TYR 14 HD2 TYR 14 7.767 -5.957 2.354
97 HE1 TYR 14 HE1 TYR 14 7.851 -10.919 2.758
98 HE2 TYR 14 HE2 TYR 14 7.821 -7.010 4.596
99 HH TYR 14 HH TYR 14 7.846 -8.985 5.784
100 H GLN 15 H GLN 15 6.003 -4.496 -0.843
101 HA GLN 15 HA GLN 15 4.471 -4.177 1.690
102 HB2 GLN 15 HB2 GLN 15 5.307 -2.133 -0.411
103 HB3 GLN 15 HB3 GLN 15 4.521 -1.788 1.132
104 HG2 GLN 15 HG2 GLN 15 6.455 -2.664 2.368
105 HG3 GLN 15 HG3 GLN 15 7.263 -3.112 0.870
106 HE21 GLN 15 HE21 GLN 15 6.621 -0.439 3.063
107 HE22 GLN 15 HE22 GLN 15 7.480 0.759 2.108
108 H LEU 16 H LEU 16 3.914 -4.059 -1.870
109 HA LEU 16 HA LEU 16 1.160 -3.300 -1.777
110 HB2 LEU 16 HB2 LEU 16 2.517 -5.231 -3.711
111 HB3 LEU 16 HB3 LEU 16 0.984 -4.440 -3.944
112 HG LEU 16 HG LEU 16 3.761 -3.252 -4.033
113 HD11 LEU 16 HD11 LEU 16 1.412 -3.092 -5.968
114 HD12 LEU 16 HD12 LEU 16 2.701 -4.310 -6.052
115 HD13 LEU 16 HD13 LEU 16 3.092 -2.596 -6.261
116 HD21 LEU 16 HD21 LEU 16 1.191 -1.633 -3.896
117 HD22 LEU 16 HD22 LEU 16 2.781 -1.012 -4.387
118 HD23 LEU 16 HD23 LEU 16 2.555 -1.600 -2.742
119 H GLU 17 H GLU 17 2.639 -6.553 -1.544
120 HA GLU 17 HA GLU 17 0.422 -8.132 -1.312
121 HB2 GLU 17 HB2 GLU 17 3.047 -8.556 -1.319
122 HB3 GLU 17 HB3 GLU 17 2.836 -8.611 0.437
123 HG2 GLU 17 HG2 GLU 17 1.003 -10.307 0.037
124 HG3 GLU 17 HG3 GLU 17 1.412 -10.270 -1.679
125 H ASN 18 H ASN 18 1.630 -5.941 1.212
126 HA ASN 18 HA ASN 18 0.256 -7.149 3.433
127 HB2 ASN 18 HB2 ASN 18 2.196 -5.558 3.558
128 HB3 ASN 18 HB3 ASN 18 1.097 -4.262 3.051
129 HD21 ASN 18 HD21 ASN 18 1.476 -6.804 5.602
130 HD22 ASN 18 HD22 ASN 18 0.722 -5.842 6.857
131 H TYR 19 H TYR 19 -0.857 -5.162 0.788
132 HA TYR 19 HA TYR 19 -3.400 -4.444 2.167
133 HB2 TYR 19 HB2 TYR 19 -2.230 -3.497 -0.475
134 HB3 TYR 19 HB3 TYR 19 -3.662 -2.866 0.324
135 HD1 TYR 19 HD2 TYR 19 -3.262 -2.074 2.879
136 HD2 TYR 19 HD1 TYR 19 -0.200 -2.354 -0.141
137 HE1 TYR 19 HE2 TYR 19 -1.865 -0.458 4.149
138 HE2 TYR 19 HE1 TYR 19 1.209 -0.750 1.129
139 HH TYR 19 HH TYR 19 0.117 0.704 4.229
140 H CYS 20 HN CYS 20 -2.398 -7.072 0.506
141 HA CYS 20 HA CYS 20 -4.701 -7.511 -1.254
142 HB2 CYS 20 HB2 CYS 20 -2.622 -9.414 -0.114
143 HB3 CYS 20 HB3 CYS 20 -3.787 -9.809 -1.370
144 H ASN 21 H ASN 21 -6.040 -9.501 -0.948
145 HA ASN 21 HA ASN 21 -6.899 -10.091 1.817
146 HB2 ASN 21 HB2 ASN 21 -9.256 -9.541 1.254
147 HB3 ASN 21 HB3 ASN 21 -8.214 -8.135 1.347
148 HD21 ASN 21 HD21 ASN 21 -8.558 -10.336 -1.477
149 HD22 ASN 21 HD22 ASN 21 -9.314 -9.134 -2.511
150 H1 PHE 1 H1 PHE 1 12.216 -4.268 -0.981
151 H2 PHE 1 H2 PHE 1 13.852 -4.172 -1.025
152 H3 PHE 1 H3 PHE 1 13.110 -5.053 0.139
153 HA PHE 1 HA PHE 1 14.073 -6.489 -1.494
154 HB2 PHE 1 HB2 PHE 1 11.032 -6.547 -1.480
155 HB3 PHE 1 HB3 PHE 1 12.059 -7.810 -2.117
156 HD1 PHE 1 HD2 PHE 1 13.675 -9.031 -0.574
157 HD2 PHE 1 HD1 PHE 1 10.584 -6.395 0.901
158 HE1 PHE 1 HE2 PHE 1 13.850 -10.066 1.672
159 HE2 PHE 1 HE1 PHE 1 10.760 -7.445 3.139
160 HZ PHE 1 HZ PHE 1 12.389 -9.283 3.531
161 H VAL 2 H VAL 2 11.174 -5.221 -3.342
162 HA VAL 2 HA VAL 2 12.704 -5.577 -5.807
163 HB VAL 2 HB VAL 2 9.908 -4.472 -5.343
164 HG11 VAL 2 HG11 VAL 2 10.709 -3.651 -7.510
165 HG12 VAL 2 HG12 VAL 2 11.278 -5.287 -7.946
166 HG13 VAL 2 HG13 VAL 2 9.543 -4.943 -7.762
167 HG21 VAL 2 HG21 VAL 2 9.222 -6.729 -6.204
168 HG22 VAL 2 HG22 VAL 2 10.921 -7.233 -6.170
169 HG23 VAL 2 HG23 VAL 2 10.072 -6.817 -4.664
170 H ASN 3 H ASN 3 11.535 -2.768 -3.925
171 HA ASN 3 HA ASN 3 12.197 -0.616 -3.817
172 HB2 ASN 3 HB2 ASN 3 14.271 -1.910 -3.278
173 HB3 ASN 3 HB3 ASN 3 14.828 -1.671 -4.932
174 HD21 ASN 3 HD21 ASN 3 15.182 0.629 -5.646
175 HD22 ASN 3 HD22 ASN 3 15.667 1.794 -4.422
176 H GLN 4 H GLN 4 10.587 -0.047 -5.462
177 HA GLN 4 HA GLN 4 11.793 1.400 -7.723
178 HB2 GLN 4 HB2 GLN 4 11.369 -0.955 -8.514
179 HB3 GLN 4 HB3 GLN 4 9.665 -0.741 -8.142
180 HG2 GLN 4 HG2 GLN 4 10.214 -0.541 -10.559
181 HG3 GLN 4 HG3 GLN 4 9.397 0.867 -9.921
182 HE21 GLN 4 HE21 GLN 4 12.513 -0.338 -11.202
183 HE22 GLN 4 HE22 GLN 4 13.229 1.257 -11.342
184 H HIS 5 H HIS 5 10.234 2.838 -8.823
185 HA HIS 5 HA HIS 5 8.191 3.967 -6.993
186 HB2 HIS 5 HB2 HIS 5 9.203 4.854 -9.736
187 HB3 HIS 5 HB3 HIS 5 8.020 5.703 -8.759
188 HD1 HIS 5 HD1 HIS 5 9.025 6.759 -6.365
189 HD2 HIS 5 HD2 HIS 5 11.737 5.436 -9.286
190 HE1 HIS 5 HE1 HIS 5 11.215 7.960 -5.898
191 H LEU 6 H LEU 6 6.017 3.909 -7.406
192 HA LEU 6 HA LEU 6 4.923 2.866 -9.956
193 HB2 LEU 6 HB2 LEU 6 4.382 1.753 -7.174
194 HB3 LEU 6 HB3 LEU 6 3.246 1.539 -8.499
195 HG LEU 6 HG LEU 6 6.118 0.535 -8.586
196 HD11 LEU 6 HD11 LEU 6 3.531 -0.884 -7.845
197 HD12 LEU 6 HD12 LEU 6 4.902 -0.566 -6.769
198 HD13 LEU 6 HD13 LEU 6 5.100 -1.690 -8.117
199 HD21 LEU 6 HD21 LEU 6 3.661 -0.073 -10.298
200 HD22 LEU 6 HD22 LEU 6 5.230 -0.885 -10.438
201 HD23 LEU 6 HD23 LEU 6 5.096 0.837 -10.824
202 H CYS 7 HN CYS 7 3.077 3.944 -10.563
203 HA CYS 7 HA CYS 7 1.771 5.757 -8.578
204 HB2 CYS 7 HB2 CYS 7 3.717 6.729 -10.116
205 HB3 CYS 7 HB3 CYS 7 2.446 6.766 -11.330
206 H GLY 8 H GLY 8 -0.342 6.241 -8.900
207 HA2 GLY 8 HA2 GLY 8 -2.526 6.019 -9.638
208 HA3 GLY 8 HA3 GLY 8 -1.791 6.423 -11.179
209 H SER 9 H SER 9 -2.446 5.151 -12.751
210 HA SER 9 HA SER 9 -3.845 2.691 -12.517
211 HB2 SER 9 HB2 SER 9 -3.341 2.548 -14.982
212 HB3 SER 9 HB3 SER 9 -4.128 4.039 -14.455
213 HG SER 9 HG SER 9 -2.363 4.456 -15.892
214 H HIS 10 H HIS 10 -0.317 3.292 -12.917
215 HA HIS 10 HA HIS 10 0.260 0.472 -13.428
216 HB2 HIS 10 HB2 HIS 10 1.612 2.517 -14.157
217 HB3 HIS 10 HB3 HIS 10 2.209 2.606 -12.499
218 HD1 HIS 10 HD1 HIS 10 2.507 -0.746 -12.330
219 HD2 HIS 10 HD2 HIS 10 3.961 1.938 -15.217
220 HE1 HIS 10 HE1 HIS 10 4.489 -1.903 -13.441
221 H LEU 11 H LEU 11 0.095 2.500 -10.518
222 HA LEU 11 HA LEU 11 1.113 0.451 -8.712
223 HB2 LEU 11 HB2 LEU 11 1.203 2.847 -8.203
224 HB3 LEU 11 HB3 LEU 11 -0.547 2.973 -8.260
225 HG LEU 11 HG LEU 11 -0.779 1.614 -6.245
226 HD11 LEU 11 HD11 LEU 11 1.186 0.936 -4.912
227 HD12 LEU 11 HD12 LEU 11 2.275 1.463 -6.206
228 HD13 LEU 11 HD13 LEU 11 1.173 0.086 -6.455
229 HD21 LEU 11 HD21 LEU 11 -0.501 4.010 -5.987
230 HD22 LEU 11 HD22 LEU 11 1.264 3.878 -6.088
231 HD23 LEU 11 HD23 LEU 11 0.411 3.219 -4.688
232 H VAL 12 H VAL 12 -2.148 1.515 -9.675
233 HA VAL 12 HA VAL 12 -3.654 -0.418 -8.199
234 HB VAL 12 HB VAL 12 -4.196 1.093 -10.775
235 HG11 VAL 12 HG11 VAL 12 -5.544 -0.929 -11.012
236 HG12 VAL 12 HG12 VAL 12 -6.132 -0.771 -9.341
237 HG13 VAL 12 HG13 VAL 12 -6.591 0.424 -10.579
238 HG21 VAL 12 HG21 VAL 12 -4.148 2.386 -8.649
239 HG22 VAL 12 HG22 VAL 12 -5.767 2.345 -9.354
240 HG23 VAL 12 HG23 VAL 12 -5.376 1.304 -7.973
241 H GLU 13 H GLU 13 -2.254 -0.623 -11.540
242 HA GLU 13 HA GLU 13 -3.074 -3.291 -12.064
243 HB2 GLU 13 HB2 GLU 13 -2.192 -1.605 -13.730
244 HB3 GLU 13 HB3 GLU 13 -0.577 -1.860 -13.068
245 HG2 GLU 13 HG2 GLU 13 -0.699 -3.177 -15.024
246 HG3 GLU 13 HG3 GLU 13 -0.817 -4.324 -13.703
247 H ALA 14 H ALA 14 -0.015 -2.048 -10.542
248 HA ALA 14 HA ALA 14 1.186 -4.610 -10.191
249 HB1 ALA 14 HB1 ALA 14 1.523 -2.052 -8.570
250 HB2 ALA 14 HB2 ALA 14 2.642 -3.433 -8.608
251 HB3 ALA 14 HB3 ALA 14 2.394 -2.462 -10.069
252 H LEU 15 H LEU 15 -1.015 -2.769 -7.998
253 HA LEU 15 HA LEU 15 -1.035 -4.724 -5.880
254 HB2 LEU 15 HB2 LEU 15 -3.040 -2.627 -6.813
255 HB3 LEU 15 HB3 LEU 15 -3.333 -3.656 -5.415
256 HG LEU 15 HG LEU 15 -0.796 -2.030 -5.525
257 HD11 LEU 15 HD11 LEU 15 -2.647 -0.440 -5.954
258 HD12 LEU 15 HD12 LEU 15 -1.953 -0.214 -4.343
259 HD13 LEU 15 HD13 LEU 15 -3.512 -1.051 -4.528
260 HD21 LEU 15 HD21 LEU 15 -2.588 -2.970 -3.224
261 HD22 LEU 15 HD22 LEU 15 -1.002 -2.189 -3.074
262 HD23 LEU 15 HD23 LEU 15 -1.133 -3.812 -3.773
263 H TYR 16 H TYR 16 -3.165 -4.448 -8.805
264 HA TYR 16 HA TYR 16 -4.611 -6.865 -8.259
265 HB2 TYR 16 HB2 TYR 16 -4.068 -5.271 -10.777
266 HB3 TYR 16 HB3 TYR 16 -4.916 -6.811 -10.851
267 HD1 TYR 16 HD1 TYR 16 -6.799 -6.989 -8.782
268 HD2 TYR 16 HD2 TYR 16 -5.603 -3.497 -11.015
269 HE1 TYR 16 HE1 TYR 16 -9.001 -5.943 -8.323
270 HE2 TYR 16 HE2 TYR 16 -7.825 -2.465 -10.590
271 HH TYR 16 HH TYR 16 -10.333 -4.123 -8.625
272 H LEU 17 H LEU 17 -1.503 -6.402 -10.000
273 HA LEU 17 HA LEU 17 -1.269 -9.172 -10.783
274 HB2 LEU 17 HB2 LEU 17 0.735 -6.903 -10.460
275 HB3 LEU 17 HB3 LEU 17 1.218 -8.501 -10.987
276 HG LEU 17 HG LEU 17 -0.895 -6.883 -12.464
277 HD11 LEU 17 HD11 LEU 17 0.891 -6.307 -14.062
278 HD12 LEU 17 HD12 LEU 17 2.095 -7.101 -13.018
279 HD13 LEU 17 HD13 LEU 17 1.245 -5.648 -12.454
280 HD21 LEU 17 HD21 LEU 17 -0.341 -8.411 -14.334
281 HD22 LEU 17 HD22 LEU 17 -0.979 -9.295 -12.948
282 HD23 LEU 17 HD23 LEU 17 0.766 -9.305 -13.281
283 H VAL 18 H VAL 18 -0.055 -7.423 -7.906
284 HA VAL 18 HA VAL 18 1.275 -9.744 -6.819
285 HB VAL 18 HB VAL 18 0.424 -7.120 -5.548
286 HG11 VAL 18 HG11 VAL 18 0.516 -8.746 -3.706
287 HG12 VAL 18 HG12 VAL 18 2.072 -9.369 -4.302
288 HG13 VAL 18 HG13 VAL 18 1.948 -7.721 -3.663
289 HG21 VAL 18 HG21 VAL 18 2.854 -6.677 -5.627
290 HG22 VAL 18 HG22 VAL 18 3.151 -8.282 -6.325
291 HG23 VAL 18 HG23 VAL 18 2.274 -7.063 -7.255
292 H CYS 19 HN CYS 19 -2.007 -8.358 -6.163
293 HA CYS 19 HA CYS 19 -2.613 -10.486 -4.235
294 HB2 CYS 19 HB2 CYS 19 -4.459 -8.407 -5.445
295 HB3 CYS 19 HB3 CYS 19 -4.702 -9.350 -3.976
296 H GLY 20 H GLY 20 -2.924 -10.246 -7.648
297 HA2 GLY 20 HA2 GLY 20 -3.801 -11.732 -9.217
298 HA3 GLY 20 HA3 GLY 20 -4.346 -12.789 -7.900
299 H GLU 21 H GLU 21 -6.200 -13.037 -9.300
300 HA GLU 21 HA GLU 21 -8.082 -11.057 -9.969
301 HB2 GLU 21 HB2 GLU 21 -7.930 -13.390 -10.830
302 HB3 GLU 21 HB3 GLU 21 -8.585 -13.979 -9.292
303 HG2 GLU 21 HG2 GLU 21 -10.704 -12.815 -9.709
304 HG3 GLU 21 HG3 GLU 21 -10.036 -12.053 -11.155
305 H ARG 22 H ARG 22 -7.442 -12.414 -6.834
306 HA ARG 22 HA ARG 22 -9.898 -11.966 -5.466
307 HB2 ARG 22 HB2 ARG 22 -7.049 -11.777 -4.407
308 HB3 ARG 22 HB3 ARG 22 -8.512 -11.988 -3.447
309 HG2 ARG 22 HG2 ARG 22 -8.899 -14.214 -4.452
310 HG3 ARG 22 HG3 ARG 22 -7.496 -14.004 -5.506
311 HD2 ARG 22 HD2 ARG 22 -6.821 -15.395 -3.667
312 HD3 ARG 22 HD3 ARG 22 -6.011 -13.838 -3.539
313 HE ARG 22 HE ARG 22 -7.321 -13.236 -1.674
314 HH11 ARG 22 HH11 ARG 22 -8.324 -16.463 -2.767
315 HH12 ARG 22 HH12 ARG 22 -9.148 -16.801 -1.271
316 HH21 ARG 22 HH21 ARG 22 -8.330 -13.747 0.205
317 HH22 ARG 22 HH22 ARG 22 -9.175 -15.270 0.389
318 H GLY 23 H GLY 23 -7.468 -9.690 -6.563
319 HA2 GLY 23 HA2 GLY 23 -7.454 -7.380 -6.574
320 HA3 GLY 23 HA3 GLY 23 -9.033 -7.372 -5.776
321 H PHE 24 H PHE 24 -7.735 -5.437 -4.968
322 HA PHE 24 HA PHE 24 -6.312 -6.102 -2.423
323 HB2 PHE 24 HB2 PHE 24 -5.031 -4.068 -2.736
324 HB3 PHE 24 HB3 PHE 24 -4.822 -5.138 -4.102
325 HD1 PHE 24 HD2 PHE 24 -5.709 -4.567 -6.339
326 HD2 PHE 24 HD1 PHE 24 -6.202 -1.916 -2.978
327 HE1 PHE 24 HE2 PHE 24 -6.221 -2.704 -7.882
328 HE2 PHE 24 HE1 PHE 24 -6.730 -0.053 -4.527
329 HZ PHE 24 HZ PHE 24 -6.719 -0.438 -6.982
330 H PHE 25 H PHE 25 -6.587 -4.650 -0.674
331 HA PHE 25 HA PHE 25 -9.360 -3.662 -0.432
332 HB2 PHE 25 HB2 PHE 25 -8.383 -5.207 1.214
333 HB3 PHE 25 HB3 PHE 25 -7.094 -4.065 1.562
334 HD1 PHE 25 HD2 PHE 25 -10.781 -4.639 1.817
335 HD2 PHE 25 HD1 PHE 25 -7.444 -2.223 3.095
336 HE1 PHE 25 HE2 PHE 25 -12.200 -3.605 3.569
337 HE2 PHE 25 HE1 PHE 25 -8.868 -1.188 4.846
338 HZ PHE 25 HZ PHE 25 -11.251 -1.877 5.085
339 H TYR 26 H TYR 26 -6.034 -2.338 -0.213
340 HA TYR 26 HA TYR 26 -7.032 0.183 0.817
341 HB2 TYR 26 HB2 TYR 26 -4.976 -1.017 1.589
342 HB3 TYR 26 HB3 TYR 26 -4.209 -0.618 0.050
343 HD1 TYR 26 HD1 TYR 26 -6.378 1.567 2.297
344 HD2 TYR 26 HD2 TYR 26 -2.433 0.753 0.752
345 HE1 TYR 26 HE1 TYR 26 -5.560 3.665 3.302
346 HE2 TYR 26 HE2 TYR 26 -1.598 2.864 1.801
347 HH TYR 26 HH TYR 26 -3.747 5.009 3.708
348 H THR 27 H THR 27 -7.836 1.728 -0.391
349 HA THR 27 HA THR 27 -7.333 2.056 -3.213
350 HB THR 27 HB THR 27 -9.470 2.523 -2.048
351 HG1 THR 27 HG1 THR 27 -9.916 4.289 -3.319
352 HG21 THR 27 HG21 THR 27 -9.881 4.651 -0.983
353 HG22 THR 27 HG22 THR 27 -8.204 5.175 -1.221
354 HG23 THR 27 HG23 THR 27 -8.583 3.846 -0.099
355 HA PRO 28 HA PRO 28 -3.927 5.044 -2.848
356 HB2 PRO 28 HB2 PRO 28 -3.845 6.041 -5.378
357 HB3 PRO 28 HB3 PRO 28 -3.325 4.374 -4.991
358 HG2 PRO 28 HG2 PRO 28 -6.018 5.279 -6.064
359 HG3 PRO 28 HG3 PRO 28 -4.973 3.958 -6.677
360 HD2 PRO 28 HD2 PRO 28 -7.060 3.504 -4.974
361 HD3 PRO 28 HD3 PRO 28 -5.562 2.541 -4.889
362 H LYS 29 H LYS 29 -3.635 7.467 -3.114
363 HA LYS 29 HA LYS 29 -5.916 8.893 -2.099
364 HB2 LYS 29 HB2 LYS 29 -3.461 9.281 -1.606
365 HB3 LYS 29 HB3 LYS 29 -3.291 9.977 -3.216
366 HG2 LYS 29 HG2 LYS 29 -3.440 11.709 -1.545
367 HG3 LYS 29 HG3 LYS 29 -4.844 11.808 -2.595
368 HD2 LYS 29 HD2 LYS 29 -6.298 10.910 -0.945
369 HD3 LYS 29 HD3 LYS 29 -4.980 10.312 0.063
370 HE2 LYS 29 HE2 LYS 29 -5.335 13.282 -0.505
371 HE3 LYS 29 HE3 LYS 29 -6.238 12.475 0.783
372 HZ1 LYS 29 HZ1 LYS 29 -4.159 13.459 1.596
373 HZ2 LYS 29 HZ2 LYS 29 -3.263 12.474 0.638
374 HZ3 LYS 29 HZ3 LYS 29 -4.173 11.840 1.825
375 H THR 30 H THR 30 -4.771 8.352 -5.324
376 HA THR 30 HA THR 30 -6.360 10.359 -6.727
377 HB THR 30 HB THR 30 -5.813 8.872 -8.703
378 HG1 THR 30 HG1 THR 30 -4.372 7.199 -8.316
379 HG21 THR 30 HG21 THR 30 -4.350 10.777 -8.082
380 HG22 THR 30 HG22 THR 30 -3.428 9.421 -8.747
381 HG23 THR 30 HG23 THR 30 -3.430 9.722 -6.993
382 H LYS 31 H LYS 31 -6.979 7.289 -5.329
383 HA LYS 31 HA LYS 31 -8.843 6.253 -4.755
384 HB2 LYS 31 HB2 LYS 31 -9.790 8.572 -4.742
385 HB3 LYS 31 HB3 LYS 31 -10.507 8.266 -6.319
386 HG2 LYS 31 HG2 LYS 31 -11.028 6.398 -3.988
387 HG3 LYS 31 HG3 LYS 31 -11.890 7.932 -4.110
388 HD2 LYS 31 HD2 LYS 31 -12.889 7.339 -6.224
389 HD3 LYS 31 HD3 LYS 31 -11.870 5.904 -6.364
390 HE2 LYS 31 HE2 LYS 31 -12.935 5.100 -4.166
391 HE3 LYS 31 HE3 LYS 31 -14.126 6.393 -4.381
392 HZ1 LYS 31 HZ1 LYS 31 -13.532 4.223 -6.316
393 HZ2 LYS 31 HZ2 LYS 31 -14.677 5.383 -6.542
394 HZ3 LYS 31 HZ3 LYS 31 -14.863 4.272 -5.348
395 H ARG 32 H ARG 32 -9.221 4.282 -5.390
396 HA ARG 32 HA ARG 32 -9.024 3.376 -8.122
397 HB2 ARG 32 HB2 ARG 32 -8.239 1.951 -6.344
398 HB3 ARG 32 HB3 ARG 32 -9.788 2.028 -5.504
399 HG2 ARG 32 HG2 ARG 32 -9.485 -0.148 -6.576
400 HG3 ARG 32 HG3 ARG 32 -10.872 0.709 -7.234
401 HD2 ARG 32 HD2 ARG 32 -9.313 1.454 -9.170
402 HD3 ARG 32 HD3 ARG 32 -8.155 0.300 -8.532
403 HE ARG 32 HE ARG 32 -9.563 -1.493 -9.167
404 HH11 ARG 32 HH21 ARG 32 -11.299 1.531 -9.847
405 HH12 ARG 32 HH22 ARG 32 -12.354 0.710 -10.969
406 HH21 ARG 32 HH11 ARG 32 -10.976 -2.400 -10.519
407 HH22 ARG 32 HH12 ARG 32 -12.211 -1.453 -11.310
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 -3.021 10.367 0.157
2 H2 GLY 1 2H GLY 1 -2.196 9.968 -1.201
3 H3 GLY 1 3H GLY 1 -1.429 9.951 0.257
4 HA2 GLY 1 HA2 GLY 1 -2.798 8.128 1.026
5 HA3 GLY 1 HA3 GLY 1 -3.642 8.175 -0.539
6 H ILE 2 H ILE 2 -2.984 5.877 -0.589
7 HA ILE 2 HA ILE 2 -0.302 5.016 -0.583
8 HB ILE 2 HB ILE 2 -2.395 3.681 -0.298
9 HG12 ILE 2 HG12 ILE 2 -0.101 2.694 -0.454
10 HG13 ILE 2 HG13 ILE 2 -1.479 1.641 -0.732
11 HG21 ILE 2 HG21 ILE 2 -2.451 3.512 -3.339
12 HG22 ILE 2 HG22 ILE 2 -3.444 2.579 -2.204
13 HG23 ILE 2 HG23 ILE 2 -3.636 4.334 -2.305
14 HD11 ILE 2 HD11 ILE 2 0.332 2.719 -2.926
15 HD12 ILE 2 HD12 ILE 2 0.343 1.097 -2.258
16 HD13 ILE 2 HD13 ILE 2 -1.071 1.634 -3.157
17 H VAL 3 H VAL 3 -2.191 6.117 -3.371
18 HA VAL 3 HA VAL 3 -0.230 5.432 -5.303
19 HB VAL 3 HB VAL 3 -2.570 5.852 -5.862
20 HG11 VAL 3 HG11 VAL 3 -3.441 8.075 -6.279
21 HG12 VAL 3 HG12 VAL 3 -2.972 7.926 -4.575
22 HG13 VAL 3 HG13 VAL 3 -1.935 8.823 -5.713
23 HG21 VAL 3 HG21 VAL 3 -0.833 5.780 -7.620
24 HG22 VAL 3 HG22 VAL 3 -2.178 6.846 -8.061
25 HG23 VAL 3 HG23 VAL 3 -0.646 7.545 -7.514
26 H GLU 4 H GLU 4 -0.562 8.521 -3.456
27 HA GLU 4 HA GLU 4 1.739 9.741 -4.720
28 HB2 GLU 4 HB2 GLU 4 0.521 10.193 -1.952
29 HB3 GLU 4 HB3 GLU 4 1.823 11.130 -2.666
30 HG2 GLU 4 HG2 GLU 4 -0.102 12.414 -2.997
31 HG3 GLU 4 HG3 GLU 4 0.329 11.755 -4.572
32 H GLN 5 H GLN 5 1.331 7.702 -1.806
33 HA GLN 5 HA GLN 5 3.951 8.008 -0.783
34 HB2 GLN 5 HB2 GLN 5 1.963 7.149 0.451
35 HB3 GLN 5 HB3 GLN 5 2.034 5.651 -0.487
36 HG2 GLN 5 HG2 GLN 5 4.320 5.209 0.467
37 HG3 GLN 5 HG3 GLN 5 4.194 6.695 1.412
38 HE21 GLN 5 HE21 GLN 5 2.496 3.551 0.840
39 HE22 GLN 5 HE22 GLN 5 1.908 3.416 2.488
40 H CYS 6 HN CYS 6 2.680 5.319 -2.836
41 HA CYS 6 HA CYS 6 5.263 4.021 -3.123
42 HB2 CYS 6 HB2 CYS 6 2.523 3.786 -4.324
43 HB3 CYS 6 HB3 CYS 6 3.858 3.111 -5.232
44 H CYS 7 HN CYS 7 3.997 6.855 -4.661
45 HA CYS 7 HA CYS 7 5.687 6.465 -7.093
46 HB2 CYS 7 HB2 CYS 7 3.298 7.041 -7.297
47 HB3 CYS 7 HB3 CYS 7 3.589 8.548 -6.437
48 H THR 8 H THR 8 5.278 8.825 -4.427
49 HA THR 8 HA THR 8 7.391 10.589 -5.332
50 HB THR 8 HB THR 8 5.326 11.134 -3.917
51 HG1 THR 8 HG1 THR 8 6.496 12.829 -2.983
52 HG21 THR 8 HG21 THR 8 5.793 9.432 -2.078
53 HG22 THR 8 HG22 THR 8 5.522 11.091 -1.514
54 HG23 THR 8 HG23 THR 8 7.166 10.442 -1.585
55 H SER 9 H SER 9 7.346 7.749 -3.327
56 HA SER 9 HA SER 9 10.308 7.832 -3.136
57 HB2 SER 9 HB2 SER 9 9.262 8.649 -0.978
58 HB3 SER 9 HB3 SER 9 8.546 7.032 -0.798
59 HG SER 9 HG SER 9 10.614 7.334 0.286
60 H ILE 10 H ILE 10 10.735 5.505 -1.909
61 HA ILE 10 HA ILE 10 9.881 3.470 -3.912
62 HB ILE 10 HB ILE 10 12.005 3.558 -1.739
63 HG12 ILE 10 HG12 ILE 10 12.119 3.276 -4.781
64 HG13 ILE 10 HG13 ILE 10 12.456 4.749 -3.866
65 HG21 ILE 10 HG21 ILE 10 11.146 1.290 -1.665
66 HG22 ILE 10 HG22 ILE 10 11.202 1.174 -3.434
67 HG23 ILE 10 HG23 ILE 10 12.695 1.269 -2.484
68 HD11 ILE 10 HD11 ILE 10 14.548 3.826 -4.496
69 HD12 ILE 10 HD12 ILE 10 14.381 3.561 -2.750
70 HD13 ILE 10 HD13 ILE 10 14.134 2.219 -3.899
71 H CYS 11 HN CYS 11 8.570 1.758 -3.502
72 HA CYS 11 HA CYS 11 7.862 1.139 -0.690
73 HB2 CYS 11 HB2 CYS 11 5.569 0.862 -1.113
74 HB3 CYS 11 HB3 CYS 11 6.011 2.465 -1.670
75 H SER 12 H SER 12 7.087 -1.030 -0.375
76 HA SER 12 HA SER 12 8.737 -2.893 -2.044
77 HB2 SER 12 HB2 SER 12 9.419 -2.468 0.304
78 HB3 SER 12 HB3 SER 12 7.866 -3.127 0.851
79 HG SER 12 HG SER 12 9.659 -4.666 0.802
80 H LEU 13 H LEU 13 8.127 -5.084 -2.351
81 HA LEU 13 HA LEU 13 5.405 -5.593 -3.120
82 HB2 LEU 13 HB2 LEU 13 7.613 -7.604 -2.483
83 HB3 LEU 13 HB3 LEU 13 6.125 -7.909 -3.358
84 HG LEU 13 HG LEU 13 7.744 -7.897 -4.983
85 HD11 LEU 13 HD11 LEU 13 6.655 -5.056 -5.131
86 HD12 LEU 13 HD12 LEU 13 5.780 -6.527 -5.621
87 HD13 LEU 13 HD13 LEU 13 7.259 -6.043 -6.477
88 HD21 LEU 13 HD21 LEU 13 9.581 -6.856 -3.646
89 HD22 LEU 13 HD22 LEU 13 8.937 -5.251 -4.080
90 HD23 LEU 13 HD23 LEU 13 9.513 -6.356 -5.339
91 H TYR 14 H TYR 14 7.157 -6.089 -0.081
92 HA TYR 14 HA TYR 14 5.213 -7.690 1.283
93 HB2 TYR 14 HB2 TYR 14 7.504 -7.369 2.051
94 HB3 TYR 14 HB3 TYR 14 7.235 -5.643 2.263
95 HD1 TYR 14 HD1 TYR 14 6.115 -9.015 3.477
96 HD2 TYR 14 HD2 TYR 14 6.424 -4.791 4.332
97 HE1 TYR 14 HE1 TYR 14 5.321 -9.422 5.804
98 HE2 TYR 14 HE2 TYR 14 5.640 -5.201 6.656
99 HH TYR 14 HH TYR 14 4.941 -6.770 8.193
100 H GLN 15 H GLN 15 5.311 -4.213 0.616
101 HA GLN 15 HA GLN 15 3.070 -3.559 2.439
102 HB2 GLN 15 HB2 GLN 15 4.432 -1.931 0.239
103 HB3 GLN 15 HB3 GLN 15 3.209 -1.342 1.353
104 HG2 GLN 15 HG2 GLN 15 4.677 -1.688 3.275
105 HG3 GLN 15 HG3 GLN 15 5.924 -2.403 2.253
106 HE21 GLN 15 HE21 GLN 15 4.393 0.680 3.182
107 HE22 GLN 15 HE22 GLN 15 5.576 1.661 2.336
108 H LEU 16 H LEU 16 3.612 -4.031 -1.105
109 HA LEU 16 HA LEU 16 0.898 -3.661 -1.887
110 HB2 LEU 16 HB2 LEU 16 3.031 -5.463 -3.094
111 HB3 LEU 16 HB3 LEU 16 1.527 -4.991 -3.868
112 HG LEU 16 HG LEU 16 3.848 -3.154 -3.125
113 HD11 LEU 16 HD11 LEU 16 4.129 -2.937 -5.548
114 HD12 LEU 16 HD12 LEU 16 2.760 -4.029 -5.839
115 HD13 LEU 16 HD13 LEU 16 4.250 -4.625 -5.064
116 HD21 LEU 16 HD21 LEU 16 2.681 -1.371 -4.346
117 HD22 LEU 16 HD22 LEU 16 1.752 -1.862 -2.925
118 HD23 LEU 16 HD23 LEU 16 1.259 -2.410 -4.550
119 H GLU 17 H GLU 17 2.527 -6.678 -0.836
120 HA GLU 17 HA GLU 17 0.185 -8.302 -0.904
121 HB2 GLU 17 HB2 GLU 17 2.718 -8.525 0.750
122 HB3 GLU 17 HB3 GLU 17 1.376 -9.665 0.882
123 HG2 GLU 17 HG2 GLU 17 1.532 -9.913 -1.684
124 HG3 GLU 17 HG3 GLU 17 3.117 -9.145 -1.542
125 H ASN 18 H ASN 18 1.228 -5.987 1.606
126 HA ASN 18 HA ASN 18 -0.794 -6.819 3.517
127 HB2 ASN 18 HB2 ASN 18 1.299 -5.627 4.124
128 HB3 ASN 18 HB3 ASN 18 0.691 -4.184 3.300
129 HD21 ASN 18 HD22 ASN 18 -0.142 -6.511 5.941
130 HD22 ASN 18 HD21 ASN 18 -0.997 -5.308 6.899
131 H TYR 19 H TYR 19 -0.845 -4.778 0.664
132 HA TYR 19 HA TYR 19 -3.496 -3.638 1.288
133 HB2 TYR 19 HB2 TYR 19 -1.883 -3.435 -1.265
134 HB3 TYR 19 HB3 TYR 19 -3.256 -2.442 -0.797
135 HD1 TYR 19 HD2 TYR 19 -2.468 -1.817 2.101
136 HD2 TYR 19 HD1 TYR 19 -0.232 -1.770 -1.583
137 HE1 TYR 19 HE2 TYR 19 -0.864 -0.201 3.090
138 HE2 TYR 19 HE1 TYR 19 1.397 -0.186 -0.586
139 HH TYR 19 HH TYR 19 1.998 1.007 1.276
140 H CYS 20 HN CYS 20 -2.429 -6.607 -0.080
141 HA CYS 20 HA CYS 20 -4.647 -7.129 -1.836
142 HB2 CYS 20 HB2 CYS 20 -3.048 -9.094 -0.180
143 HB3 CYS 20 HB3 CYS 20 -4.089 -9.477 -1.542
144 H ASN 21 H ASN 21 -6.488 -8.387 -1.466
145 HA ASN 21 HA ASN 21 -7.952 -7.735 0.965
146 HB2 ASN 21 HB2 ASN 21 -8.989 -7.761 -1.309
147 HB3 ASN 21 HB3 ASN 21 -8.680 -9.492 -1.424
148 HD21 ASN 21 HD21 ASN 21 -10.347 -7.111 0.693
149 HD22 ASN 21 HD22 ASN 21 -11.682 -8.186 1.072
150 H1 PHE 1 H1 PHE 1 9.909 -5.972 -11.001
151 H2 PHE 1 H2 PHE 1 10.336 -4.865 -9.864
152 H3 PHE 1 H3 PHE 1 9.307 -6.089 -9.484
153 HA PHE 1 HA PHE 1 11.019 -7.728 -9.879
154 HB2 PHE 1 HB2 PHE 1 12.862 -5.336 -10.234
155 HB3 PHE 1 HB3 PHE 1 13.358 -7.013 -10.115
156 HD1 PHE 1 HD2 PHE 1 12.385 -8.697 -11.864
157 HD2 PHE 1 HD1 PHE 1 12.394 -4.410 -12.376
158 HE1 PHE 1 HE2 PHE 1 12.108 -8.991 -14.312
159 HE2 PHE 1 HE1 PHE 1 12.120 -4.710 -14.826
160 HZ PHE 1 HZ PHE 1 11.973 -6.993 -15.799
161 H VAL 2 H VAL 2 11.911 -4.679 -8.115
162 HA VAL 2 HA VAL 2 11.886 -6.219 -5.546
163 HB VAL 2 HB VAL 2 13.927 -5.062 -4.800
164 HG11 VAL 2 HG11 VAL 2 14.422 -6.673 -7.332
165 HG12 VAL 2 HG12 VAL 2 15.540 -6.415 -5.976
166 HG13 VAL 2 HG13 VAL 2 14.055 -7.346 -5.729
167 HG21 VAL 2 HG21 VAL 2 13.889 -3.086 -6.313
168 HG22 VAL 2 HG22 VAL 2 15.434 -3.943 -6.384
169 HG23 VAL 2 HG23 VAL 2 14.260 -4.141 -7.694
170 H ASN 3 H ASN 3 12.525 -4.103 -3.833
171 HA ASN 3 HA ASN 3 10.147 -2.493 -3.815
172 HB2 ASN 3 HB2 ASN 3 11.204 -1.325 -1.950
173 HB3 ASN 3 HB3 ASN 3 11.245 -3.071 -1.754
174 HD21 ASN 3 HD21 ASN 3 13.072 -0.446 -1.078
175 HD22 ASN 3 HD22 ASN 3 14.666 -1.158 -1.257
176 H GLN 4 H GLN 4 9.688 -0.735 -4.990
177 HA GLN 4 HA GLN 4 11.795 0.895 -6.333
178 HB2 GLN 4 HB2 GLN 4 9.729 -0.913 -7.681
179 HB3 GLN 4 HB3 GLN 4 10.482 0.427 -8.533
180 HG2 GLN 4 HG2 GLN 4 12.673 -0.550 -8.382
181 HG3 GLN 4 HG3 GLN 4 12.110 -1.822 -7.299
182 HE21 GLN 4 HE22 GLN 4 11.399 -0.562 -10.646
183 HE22 GLN 4 HE21 GLN 4 11.122 -2.168 -11.281
184 H HIS 5 H HIS 5 10.595 2.589 -7.813
185 HA HIS 5 HA HIS 5 8.354 3.844 -6.341
186 HB2 HIS 5 HB2 HIS 5 9.892 4.618 -8.858
187 HB3 HIS 5 HB3 HIS 5 8.484 5.483 -8.265
188 HD1 HIS 5 HD1 HIS 5 8.987 7.447 -6.676
189 HD2 HIS 5 HD2 HIS 5 12.093 4.629 -7.010
190 HE1 HIS 5 HE1 HIS 5 10.982 8.440 -5.458
191 H LEU 6 H LEU 6 6.245 3.664 -6.970
192 HA LEU 6 HA LEU 6 5.493 2.512 -9.618
193 HB2 LEU 6 HB2 LEU 6 4.562 1.639 -6.857
194 HB3 LEU 6 HB3 LEU 6 3.696 1.237 -8.332
195 HG LEU 6 HG LEU 6 6.578 0.397 -7.798
196 HD11 LEU 6 HD11 LEU 6 5.593 -1.831 -7.313
197 HD12 LEU 6 HD12 LEU 6 3.966 -1.123 -7.409
198 HD13 LEU 6 HD13 LEU 6 5.089 -0.607 -6.139
199 HD21 LEU 6 HD21 LEU 6 6.132 -1.234 -9.624
200 HD22 LEU 6 HD22 LEU 6 5.989 0.426 -10.201
201 HD23 LEU 6 HD23 LEU 6 4.519 -0.516 -9.861
202 H CYS 7 HN CYS 7 4.188 3.913 -10.600
203 HA CYS 7 HA CYS 7 2.522 5.816 -8.995
204 HB2 CYS 7 HB2 CYS 7 3.902 6.090 -11.688
205 HB3 CYS 7 HB3 CYS 7 2.918 7.323 -10.931
206 H GLY 8 H GLY 8 0.397 5.873 -9.371
207 HA2 GLY 8 HA2 GLY 8 -1.705 5.543 -10.295
208 HA3 GLY 8 HA3 GLY 8 -0.887 6.021 -11.773
209 H SER 9 H SER 9 -1.162 4.715 -13.427
210 HA SER 9 HA SER 9 -2.512 2.221 -13.432
211 HB2 SER 9 HB2 SER 9 -1.555 2.069 -15.759
212 HB3 SER 9 HB3 SER 9 -2.461 3.552 -15.403
213 HG SER 9 HG SER 9 -0.474 3.984 -16.508
214 H HIS 10 H HIS 10 1.023 2.908 -13.311
215 HA HIS 10 HA HIS 10 1.774 0.124 -13.643
216 HB2 HIS 10 HB2 HIS 10 3.164 2.221 -14.103
217 HB3 HIS 10 HB3 HIS 10 3.430 2.330 -12.362
218 HD1 HIS 10 HD1 HIS 10 3.835 -1.006 -12.122
219 HD2 HIS 10 HD2 HIS 10 5.703 1.761 -14.676
220 HE1 HIS 10 HE1 HIS 10 6.043 -2.069 -12.834
221 H LEU 11 H LEU 11 1.039 2.136 -10.799
222 HA LEU 11 HA LEU 11 1.773 0.114 -8.831
223 HB2 LEU 11 HB2 LEU 11 1.679 2.492 -8.266
224 HB3 LEU 11 HB3 LEU 11 -0.005 2.587 -8.743
225 HG LEU 11 HG LEU 11 -0.664 1.114 -6.876
226 HD11 LEU 11 HD11 LEU 11 0.956 0.604 -5.073
227 HD12 LEU 11 HD12 LEU 11 2.280 1.220 -6.078
228 HD13 LEU 11 HD13 LEU 11 1.389 -0.240 -6.567
229 HD21 LEU 11 HD21 LEU 11 -0.300 2.788 -5.145
230 HD22 LEU 11 HD22 LEU 11 -0.586 3.582 -6.695
231 HD23 LEU 11 HD23 LEU 11 1.066 3.483 -6.056
232 H VAL 12 H VAL 12 -1.310 1.066 -10.377
233 HA VAL 12 HA VAL 12 -2.951 -0.890 -9.099
234 HB VAL 12 HB VAL 12 -3.187 0.526 -11.769
235 HG11 VAL 12 HG11 VAL 12 -5.573 -0.187 -11.832
236 HG12 VAL 12 HG12 VAL 12 -4.477 -1.543 -12.043
237 HG13 VAL 12 HG13 VAL 12 -5.274 -1.287 -10.473
238 HG21 VAL 12 HG21 VAL 12 -3.413 1.892 -9.680
239 HG22 VAL 12 HG22 VAL 12 -4.925 1.819 -10.601
240 HG23 VAL 12 HG23 VAL 12 -4.720 0.825 -9.141
241 H GLU 13 H GLU 13 -1.094 -1.128 -12.196
242 HA GLU 13 HA GLU 13 -1.736 -3.871 -12.701
243 HB2 GLU 13 HB2 GLU 13 0.603 -2.108 -13.517
244 HB3 GLU 13 HB3 GLU 13 0.472 -3.782 -14.037
245 HG2 GLU 13 HG2 GLU 13 -1.683 -1.692 -14.569
246 HG3 GLU 13 HG3 GLU 13 -0.385 -2.094 -15.688
247 H ALA 14 H ALA 14 1.018 -2.439 -10.807
248 HA ALA 14 HA ALA 14 2.241 -4.944 -10.201
249 HB1 ALA 14 HB1 ALA 14 3.349 -3.693 -8.390
250 HB2 ALA 14 HB2 ALA 14 3.349 -2.759 -9.903
251 HB3 ALA 14 HB3 ALA 14 2.201 -2.350 -8.602
252 H LEU 15 H LEU 15 -0.372 -3.163 -8.486
253 HA LEU 15 HA LEU 15 -0.674 -5.044 -6.335
254 HB2 LEU 15 HB2 LEU 15 -2.533 -3.032 -7.653
255 HB3 LEU 15 HB3 LEU 15 -3.048 -4.028 -6.306
256 HG LEU 15 HG LEU 15 -0.580 -2.279 -6.092
257 HD11 LEU 15 HD11 LEU 15 -2.511 -0.838 -6.679
258 HD12 LEU 15 HD12 LEU 15 -1.982 -0.573 -5.014
259 HD13 LEU 15 HD13 LEU 15 -3.442 -1.536 -5.329
260 HD21 LEU 15 HD21 LEU 15 -2.469 -3.502 -4.016
261 HD22 LEU 15 HD22 LEU 15 -1.094 -2.443 -3.663
262 HD23 LEU 15 HD23 LEU 15 -0.810 -4.035 -4.358
263 H TYR 16 H TYR 16 -2.261 -4.982 -9.588
264 HA TYR 16 HA TYR 16 -3.752 -7.407 -9.178
265 HB2 TYR 16 HB2 TYR 16 -2.737 -5.938 -11.629
266 HB3 TYR 16 HB3 TYR 16 -3.417 -7.539 -11.793
267 HD1 TYR 16 HD1 TYR 16 -5.742 -7.941 -10.534
268 HD2 TYR 16 HD2 TYR 16 -4.257 -4.152 -11.952
269 HE1 TYR 16 HE1 TYR 16 -8.070 -7.043 -10.567
270 HE2 TYR 16 HE2 TYR 16 -6.570 -3.250 -11.988
271 HH TYR 16 HH TYR 16 -8.793 -3.684 -11.592
272 H LEU 17 H LEU 17 -0.417 -6.915 -10.442
273 HA LEU 17 HA LEU 17 0.097 -9.699 -10.962
274 HB2 LEU 17 HB2 LEU 17 1.912 -7.305 -10.457
275 HB3 LEU 17 HB3 LEU 17 2.540 -8.888 -10.861
276 HG LEU 17 HG LEU 17 0.559 -7.437 -12.667
277 HD11 LEU 17 HD11 LEU 17 3.603 -7.482 -12.834
278 HD12 LEU 17 HD12 LEU 17 2.604 -6.070 -12.423
279 HD13 LEU 17 HD13 LEU 17 2.498 -6.784 -14.039
280 HD21 LEU 17 HD21 LEU 17 1.431 -8.977 -14.394
281 HD22 LEU 17 HD22 LEU 17 0.693 -9.869 -13.064
282 HD23 LEU 17 HD23 LEU 17 2.460 -9.766 -13.178
283 H VAL 18 H VAL 18 0.806 -7.719 -8.055
284 HA VAL 18 HA VAL 18 2.077 -9.891 -6.644
285 HB VAL 18 HB VAL 18 0.958 -7.227 -5.714
286 HG11 VAL 18 HG11 VAL 18 2.412 -9.318 -4.041
287 HG12 VAL 18 HG12 VAL 18 2.189 -7.620 -3.565
288 HG13 VAL 18 HG13 VAL 18 0.779 -8.658 -3.748
289 HG21 VAL 18 HG21 VAL 18 3.800 -8.325 -5.942
290 HG22 VAL 18 HG22 VAL 18 3.054 -7.207 -7.099
291 HG23 VAL 18 HG23 VAL 18 3.346 -6.689 -5.436
292 H CYS 19 HN CYS 19 -1.308 -8.553 -6.415
293 HA CYS 19 HA CYS 19 -1.980 -10.511 -4.360
294 HB2 CYS 19 HB2 CYS 19 -3.728 -8.586 -5.916
295 HB3 CYS 19 HB3 CYS 19 -4.188 -9.475 -4.455
296 H GLY 20 H GLY 20 -2.441 -10.426 -7.874
297 HA2 GLY 20 HA2 GLY 20 -3.148 -12.080 -9.332
298 HA3 GLY 20 HA3 GLY 20 -3.036 -13.236 -7.992
299 H GLU 21 H GLU 21 -4.891 -14.312 -8.036
300 HA GLU 21 HA GLU 21 -7.457 -13.190 -8.732
301 HB2 GLU 21 HB2 GLU 21 -8.353 -15.361 -8.091
302 HB3 GLU 21 HB3 GLU 21 -6.991 -15.500 -9.186
303 HG2 GLU 21 HG2 GLU 21 -6.494 -15.760 -6.203
304 HG3 GLU 21 HG3 GLU 21 -7.281 -17.076 -7.063
305 H ARG 22 H ARG 22 -5.721 -13.066 -5.766
306 HA ARG 22 HA ARG 22 -7.872 -13.131 -3.886
307 HB2 ARG 22 HB2 ARG 22 -5.210 -11.643 -3.732
308 HB3 ARG 22 HB3 ARG 22 -6.307 -11.907 -2.387
309 HG2 ARG 22 HG2 ARG 22 -6.067 -14.336 -2.581
310 HG3 ARG 22 HG3 ARG 22 -4.972 -14.172 -3.955
311 HD2 ARG 22 HD2 ARG 22 -4.395 -12.936 -1.233
312 HD3 ARG 22 HD3 ARG 22 -3.902 -14.578 -1.676
313 HE ARG 22 HE ARG 22 -2.969 -12.914 -3.731
314 HH11 ARG 22 HH11 ARG 22 -2.325 -13.291 -0.253
315 HH12 ARG 22 HH12 ARG 22 -0.649 -12.852 -0.431
316 HH21 ARG 22 HH21 ARG 22 -0.715 -12.400 -3.842
317 HH22 ARG 22 HH22 ARG 22 0.209 -12.348 -2.373
318 H GLY 23 H GLY 23 -6.619 -10.485 -5.890
319 HA2 GLY 23 HA2 GLY 23 -7.454 -8.333 -6.305
320 HA3 GLY 23 HA3 GLY 23 -8.851 -8.681 -5.264
321 H PHE 24 H PHE 24 -7.956 -6.239 -5.011
322 HA PHE 24 HA PHE 24 -6.575 -6.081 -2.395
323 HB2 PHE 24 HB2 PHE 24 -4.905 -4.561 -3.342
324 HB3 PHE 24 HB3 PHE 24 -4.890 -6.126 -4.134
325 HD1 PHE 24 HD1 PHE 24 -5.855 -2.569 -4.604
326 HD2 PHE 24 HD2 PHE 24 -5.283 -6.416 -6.455
327 HE1 PHE 24 HE1 PHE 24 -5.997 -1.512 -6.850
328 HE2 PHE 24 HE2 PHE 24 -5.440 -5.362 -8.689
329 HZ PHE 24 HZ PHE 24 -5.797 -2.912 -8.898
330 H PHE 25 H PHE 25 -6.470 -3.997 -1.478
331 HA PHE 25 HA PHE 25 -8.741 -2.177 -2.114
332 HB2 PHE 25 HB2 PHE 25 -8.628 -3.028 0.196
333 HB3 PHE 25 HB3 PHE 25 -6.985 -2.436 0.355
334 HD1 PHE 25 HD2 PHE 25 -10.516 -1.331 -0.283
335 HD2 PHE 25 HD1 PHE 25 -6.579 -0.176 1.052
336 HE1 PHE 25 HE2 PHE 25 -11.402 0.866 0.452
337 HE2 PHE 25 HE1 PHE 25 -7.475 2.018 1.791
338 HZ PHE 25 HZ PHE 25 -9.886 2.548 1.490
339 H TYR 26 H TYR 26 -8.349 -0.020 -2.551
340 HA TYR 26 HA TYR 26 -5.673 1.137 -2.693
341 HB2 TYR 26 HB2 TYR 26 -5.526 -0.235 -4.647
342 HB3 TYR 26 HB3 TYR 26 -7.159 0.181 -5.155
343 HD1 TYR 26 HD1 TYR 26 -3.717 1.593 -4.685
344 HD2 TYR 26 HD2 TYR 26 -7.555 2.000 -6.614
345 HE1 TYR 26 HE1 TYR 26 -2.813 3.428 -6.103
346 HE2 TYR 26 HE2 TYR 26 -6.644 3.817 -8.047
347 HH TYR 26 HH TYR 26 -3.240 4.906 -7.815
348 H THR 27 H THR 27 -5.707 3.332 -2.856
349 HA THR 27 HA THR 27 -8.331 4.735 -3.196
350 HB THR 27 HB THR 27 -7.524 6.385 -1.523
351 HG1 THR 27 HG1 THR 27 -5.324 5.706 -1.688
352 HG21 THR 27 HG21 THR 27 -7.822 3.534 -0.491
353 HG22 THR 27 HG22 THR 27 -9.136 4.676 -0.837
354 HG23 THR 27 HG23 THR 27 -7.996 5.016 0.473
355 HA PRO 28 HA PRO 28 -5.629 7.015 -6.100
356 HB2 PRO 28 HB2 PRO 28 -7.654 8.220 -7.525
357 HB3 PRO 28 HB3 PRO 28 -7.007 6.590 -7.875
358 HG2 PRO 28 HG2 PRO 28 -9.477 7.307 -6.269
359 HG3 PRO 28 HG3 PRO 28 -9.313 6.066 -7.552
360 HD2 PRO 28 HD2 PRO 28 -9.202 5.402 -4.943
361 HD3 PRO 28 HD3 PRO 28 -8.129 4.610 -6.112
362 H LYS 29 H LYS 29 -4.784 8.438 -4.806
363 HA LYS 29 HA LYS 29 -4.271 10.262 -3.644
364 HB2 LYS 29 HB2 LYS 29 -5.515 11.453 -5.397
365 HB3 LYS 29 HB3 LYS 29 -6.981 11.425 -4.412
366 HG2 LYS 29 HG2 LYS 29 -6.003 12.791 -2.702
367 HG3 LYS 29 HG3 LYS 29 -4.382 12.601 -3.352
368 HD2 LYS 29 HD2 LYS 29 -6.675 14.108 -4.675
369 HD3 LYS 29 HD3 LYS 29 -5.320 14.837 -3.822
370 HE2 LYS 29 HE2 LYS 29 -5.169 13.227 -6.417
371 HE3 LYS 29 HE3 LYS 29 -5.021 14.977 -6.264
372 HZ1 LYS 29 HZ1 LYS 29 -2.855 13.957 -6.430
373 HZ2 LYS 29 HZ2 LYS 29 -3.114 12.972 -5.153
374 HZ3 LYS 29 HZ3 LYS 29 -2.998 14.594 -4.930
375 H THR 30 H THR 30 -7.608 9.336 -2.872
376 HA THR 30 HA THR 30 -7.171 8.731 -0.116
377 HB THR 30 HB THR 30 -6.762 11.137 0.171
378 HG1 THR 30 HG1 THR 30 -7.746 10.038 1.845
379 HG21 THR 30 HG21 THR 30 -8.229 12.013 -1.689
380 HG22 THR 30 HG22 THR 30 -8.462 12.810 -0.126
381 HG23 THR 30 HG23 THR 30 -9.648 11.623 -0.688
382 H LYS 31 H LYS 31 -9.543 9.895 -2.505
383 HA LYS 31 HA LYS 31 -11.799 8.523 -1.318
384 HB2 LYS 31 HB2 LYS 31 -12.944 9.129 -3.379
385 HB3 LYS 31 HB3 LYS 31 -12.029 10.505 -2.769
386 HG2 LYS 31 HG2 LYS 31 -10.248 10.110 -4.438
387 HG3 LYS 31 HG3 LYS 31 -11.102 8.669 -5.031
388 HD2 LYS 31 HD2 LYS 31 -13.026 10.094 -5.693
389 HD3 LYS 31 HD3 LYS 31 -12.154 11.528 -5.104
390 HE2 LYS 31 HE2 LYS 31 -10.319 11.069 -6.724
391 HE3 LYS 31 HE3 LYS 31 -11.174 9.633 -7.291
392 HZ1 LYS 31 HZ1 LYS 31 -12.986 11.089 -8.033
393 HZ2 LYS 31 HZ2 LYS 31 -11.583 11.538 -8.738
394 HZ3 LYS 31 HZ3 LYS 31 -12.188 12.418 -7.504
395 H ARG 32 H ARG 32 -13.054 6.913 -2.661
396 HA ARG 32 HA ARG 32 -11.864 5.068 -4.465
397 HB2 ARG 32 HB2 ARG 32 -11.755 3.039 -3.112
398 HB3 ARG 32 HB3 ARG 32 -10.623 4.233 -2.546
399 HG2 ARG 32 HG2 ARG 32 -11.436 3.510 -0.530
400 HG3 ARG 32 HG3 ARG 32 -12.550 4.844 -0.804
401 HD2 ARG 32 HD2 ARG 32 -14.105 3.001 -1.886
402 HD3 ARG 32 HD3 ARG 32 -12.991 1.861 -1.162
403 HE ARG 32 HE ARG 32 -13.833 2.360 0.947
404 HH11 ARG 32 HH21 ARG 32 -15.152 4.765 -1.290
405 HH12 ARG 32 HH22 ARG 32 -16.297 5.319 -0.089
406 HH21 ARG 32 HH11 ARG 32 -15.316 3.145 2.369
407 HH22 ARG 32 HH12 ARG 32 -16.381 4.441 1.904
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 -1.981 8.253 0.172
2 H2 GLY 1 2H GLY 1 -2.025 7.545 1.652
3 H3 GLY 1 3H GLY 1 -3.374 8.268 1.027
4 HA2 GLY 1 HA2 GLY 1 -3.427 5.792 0.925
5 HA3 GLY 1 HA3 GLY 1 -3.703 6.648 -0.605
6 H ILE 2 H ILE 2 -2.832 3.990 -0.611
7 HA ILE 2 HA ILE 2 0.032 3.765 -0.822
8 HB ILE 2 HB ILE 2 -1.504 1.878 -0.460
9 HG12 ILE 2 HG12 ILE 2 -0.455 0.186 -1.919
10 HG13 ILE 2 HG13 ILE 2 0.225 1.455 -2.936
11 HG21 ILE 2 HG21 ILE 2 -2.152 1.947 -3.429
12 HG22 ILE 2 HG22 ILE 2 -2.776 0.845 -2.172
13 HG23 ILE 2 HG23 ILE 2 -3.231 2.551 -2.165
14 HD11 ILE 2 HD11 ILE 2 0.868 1.032 0.019
15 HD12 ILE 2 HD12 ILE 2 1.851 0.475 -1.349
16 HD13 ILE 2 HD13 ILE 2 1.642 2.209 -1.083
17 H VAL 3 H VAL 3 -2.387 4.722 -3.225
18 HA VAL 3 HA VAL 3 -0.596 4.706 -5.471
19 HB VAL 3 HB VAL 3 -3.018 6.473 -5.018
20 HG11 VAL 3 HG11 VAL 3 -1.623 7.473 -6.775
21 HG12 VAL 3 HG12 VAL 3 -1.471 5.901 -7.592
22 HG13 VAL 3 HG13 VAL 3 -3.042 6.724 -7.507
23 HG21 VAL 3 HG21 VAL 3 -4.172 4.835 -6.493
24 HG22 VAL 3 HG22 VAL 3 -2.693 3.870 -6.582
25 HG23 VAL 3 HG23 VAL 3 -3.553 4.037 -5.043
26 H GLU 4 H GLU 4 -1.478 7.420 -3.275
27 HA GLU 4 HA GLU 4 0.380 9.341 -4.203
28 HB2 GLU 4 HB2 GLU 4 -1.324 9.950 -2.646
29 HB3 GLU 4 HB3 GLU 4 -0.809 8.727 -1.488
30 HG2 GLU 4 HG2 GLU 4 1.284 9.992 -1.060
31 HG3 GLU 4 HG3 GLU 4 0.760 11.223 -2.212
32 H GLN 5 H GLN 5 0.835 6.750 -1.772
33 HA GLN 5 HA GLN 5 3.441 7.564 -0.981
34 HB2 GLN 5 HB2 GLN 5 1.789 6.071 0.272
35 HB3 GLN 5 HB3 GLN 5 2.272 4.762 -0.801
36 HG2 GLN 5 HG2 GLN 5 3.550 4.471 1.166
37 HG3 GLN 5 HG3 GLN 5 4.680 5.130 0.000
38 HE21 GLN 5 HE21 GLN 5 5.825 7.054 0.673
39 HE22 GLN 5 HE22 GLN 5 5.348 7.970 2.092
40 H CYS 6 HN CYS 6 2.524 4.800 -3.166
41 HA CYS 6 HA CYS 6 5.277 4.200 -3.794
42 HB2 CYS 6 HB2 CYS 6 2.635 3.454 -5.071
43 HB3 CYS 6 HB3 CYS 6 4.196 2.846 -5.621
44 H CYS 7 HN CYS 7 2.988 6.468 -5.308
45 HA CYS 7 HA CYS 7 4.659 6.899 -7.672
46 HB2 CYS 7 HB2 CYS 7 2.509 8.596 -6.365
47 HB3 CYS 7 HB3 CYS 7 3.319 9.019 -7.868
48 H THR 8 H THR 8 4.250 8.685 -4.553
49 HA THR 8 HA THR 8 6.257 10.648 -5.300
50 HB THR 8 HB THR 8 4.098 10.908 -3.875
51 HG1 THR 8 HG1 THR 8 5.072 12.725 -2.963
52 HG21 THR 8 HG21 THR 8 4.852 9.270 -2.051
53 HG22 THR 8 HG22 THR 8 4.330 10.866 -1.499
54 HG23 THR 8 HG23 THR 8 6.065 10.476 -1.579
55 H SER 9 H SER 9 6.495 7.608 -3.651
56 HA SER 9 HA SER 9 9.349 8.127 -3.009
57 HB2 SER 9 HB2 SER 9 9.061 7.445 -0.701
58 HB3 SER 9 HB3 SER 9 8.006 8.820 -1.041
59 HG SER 9 HG SER 9 6.412 6.923 -1.530
60 H ILE 10 H ILE 10 10.435 6.111 -2.137
61 HA ILE 10 HA ILE 10 9.784 3.775 -3.770
62 HB ILE 10 HB ILE 10 11.862 4.308 -1.605
63 HG12 ILE 10 HG12 ILE 10 12.003 3.891 -4.628
64 HG13 ILE 10 HG13 ILE 10 12.208 5.420 -3.774
65 HG21 ILE 10 HG21 ILE 10 11.269 1.958 -1.397
66 HG22 ILE 10 HG22 ILE 10 11.388 1.729 -3.149
67 HG23 ILE 10 HG23 ILE 10 12.832 2.075 -2.173
68 HD11 ILE 10 HD11 ILE 10 14.362 4.667 -4.424
69 HD12 ILE 10 HD12 ILE 10 14.254 4.468 -2.660
70 HD13 ILE 10 HD13 ILE 10 14.109 3.058 -3.741
71 H CYS 11 HN CYS 11 8.437 2.221 -3.335
72 HA CYS 11 HA CYS 11 7.685 1.627 -0.501
73 HB2 CYS 11 HB2 CYS 11 5.457 1.186 -1.125
74 HB3 CYS 11 HB3 CYS 11 5.868 2.743 -1.811
75 H SER 12 H SER 12 6.305 -0.859 -1.234
76 HA SER 12 HA SER 12 8.120 -2.473 -2.802
77 HB2 SER 12 HB2 SER 12 9.340 -2.234 -0.557
78 HB3 SER 12 HB3 SER 12 8.034 -3.206 0.139
79 HG SER 12 HG SER 12 9.822 -4.502 -0.584
80 H LEU 13 H LEU 13 7.495 -4.847 -2.625
81 HA LEU 13 HA LEU 13 4.737 -4.999 -3.416
82 HB2 LEU 13 HB2 LEU 13 6.746 -7.204 -2.808
83 HB3 LEU 13 HB3 LEU 13 5.260 -7.386 -3.738
84 HG LEU 13 HG LEU 13 7.760 -5.828 -4.517
85 HD11 LEU 13 HD11 LEU 13 7.826 -7.458 -6.383
86 HD12 LEU 13 HD12 LEU 13 6.388 -8.265 -5.733
87 HD13 LEU 13 HD13 LEU 13 7.905 -8.252 -4.801
88 HD21 LEU 13 HD21 LEU 13 5.149 -5.989 -6.077
89 HD22 LEU 13 HD22 LEU 13 6.680 -5.323 -6.678
90 HD23 LEU 13 HD23 LEU 13 5.840 -4.522 -5.348
91 H TYR 14 H TYR 14 6.292 -5.692 -0.324
92 HA TYR 14 HA TYR 14 4.049 -6.965 0.948
93 HB2 TYR 14 HB2 TYR 14 6.340 -6.964 1.841
94 HB3 TYR 14 HB3 TYR 14 6.281 -5.217 2.058
95 HD1 TYR 14 HD1 TYR 14 4.682 -8.432 3.152
96 HD2 TYR 14 HD2 TYR 14 5.393 -4.279 4.071
97 HE1 TYR 14 HE1 TYR 14 3.719 -8.770 5.421
98 HE2 TYR 14 HE2 TYR 14 4.420 -4.603 6.333
99 HH TYR 14 HH TYR 14 3.488 -6.106 7.823
100 H GLN 15 H GLN 15 4.711 -3.569 0.215
101 HA GLN 15 HA GLN 15 2.557 -2.518 1.927
102 HB2 GLN 15 HB2 GLN 15 3.958 -1.083 -0.355
103 HB3 GLN 15 HB3 GLN 15 3.058 -0.376 0.974
104 HG2 GLN 15 HG2 GLN 15 5.763 -1.775 1.178
105 HG3 GLN 15 HG3 GLN 15 5.467 -0.050 1.266
106 HE21 GLN 15 HE21 GLN 15 6.882 -1.317 3.314
107 HE22 GLN 15 HE22 GLN 15 5.878 -1.323 4.755
108 H LEU 16 H LEU 16 2.879 -3.781 -1.335
109 HA LEU 16 HA LEU 16 0.271 -2.792 -2.234
110 HB2 LEU 16 HB2 LEU 16 1.994 -5.047 -3.367
111 HB3 LEU 16 HB3 LEU 16 0.652 -4.249 -4.155
112 HG LEU 16 HG LEU 16 3.387 -3.091 -3.519
113 HD11 LEU 16 HD11 LEU 16 1.886 -3.470 -6.137
114 HD12 LEU 16 HD12 LEU 16 3.159 -4.541 -5.525
115 HD13 LEU 16 HD13 LEU 16 3.541 -2.865 -5.941
116 HD21 LEU 16 HD21 LEU 16 2.651 -0.997 -4.591
117 HD22 LEU 16 HD22 LEU 16 1.784 -1.281 -3.090
118 HD23 LEU 16 HD23 LEU 16 0.974 -1.601 -4.638
119 H GLU 17 H GLU 17 1.544 -6.017 -1.172
120 HA GLU 17 HA GLU 17 -0.915 -7.305 -1.170
121 HB2 GLU 17 HB2 GLU 17 1.623 -8.107 -0.864
122 HB3 GLU 17 HB3 GLU 17 1.185 -8.051 0.860
123 HG2 GLU 17 HG2 GLU 17 -0.817 -9.448 0.307
124 HG3 GLU 17 HG3 GLU 17 -0.319 -9.471 -1.384
125 H ASN 18 H ASN 18 0.306 -5.049 1.252
126 HA ASN 18 HA ASN 18 -1.360 -5.607 3.446
127 HB2 ASN 18 HB2 ASN 18 0.438 -3.936 3.412
128 HB3 ASN 18 HB3 ASN 18 -0.483 -2.957 2.272
129 HD21 ASN 18 HD21 ASN 18 -2.096 -1.537 3.074
130 HD22 ASN 18 HD22 ASN 18 -2.469 -1.424 4.782
131 H TYR 19 H TYR 19 -2.210 -4.247 0.302
132 HA TYR 19 HA TYR 19 -5.017 -3.712 1.152
133 HB2 TYR 19 HB2 TYR 19 -3.436 -2.837 -1.296
134 HB3 TYR 19 HB3 TYR 19 -5.140 -2.494 -1.023
135 HD1 TYR 19 HD1 TYR 19 -1.705 -1.705 0.016
136 HD2 TYR 19 HD2 TYR 19 -5.876 -0.923 0.728
137 HE1 TYR 19 HE1 TYR 19 -1.081 0.236 1.433
138 HE2 TYR 19 HE2 TYR 19 -5.267 1.047 2.126
139 HH TYR 19 HH TYR 19 -1.858 1.990 2.721
140 H CYS 20 HN CYS 20 -3.482 -6.378 0.214
141 HA CYS 20 HA CYS 20 -5.538 -7.365 -1.712
142 HB2 CYS 20 HB2 CYS 20 -3.071 -7.829 -2.020
143 HB3 CYS 20 HB3 CYS 20 -3.146 -8.777 -0.532
144 H ASN 21 H ASN 21 -6.357 -9.577 -1.188
145 HA ASN 21 HA ASN 21 -7.535 -9.688 1.538
146 HB2 ASN 21 HB2 ASN 21 -8.193 -11.030 -1.105
147 HB3 ASN 21 HB3 ASN 21 -8.762 -11.703 0.408
148 HD21 ASN 21 HD22 ASN 21 -8.985 -8.851 -1.719
149 HD22 ASN 21 HD21 ASN 21 -10.478 -8.271 -0.983
150 H1 PHE 1 H1 PHE 1 12.392 -3.238 -11.902
151 H2 PHE 1 H2 PHE 1 12.297 -2.201 -10.644
152 H3 PHE 1 H3 PHE 1 11.002 -3.120 -11.032
153 HA PHE 1 HA PHE 1 12.199 -5.133 -10.455
154 HB2 PHE 1 HB2 PHE 1 14.344 -3.238 -9.414
155 HB3 PHE 1 HB3 PHE 1 14.360 -4.987 -9.334
156 HD1 PHE 1 HD1 PHE 1 14.442 -6.374 -11.503
157 HD2 PHE 1 HD2 PHE 1 15.248 -2.131 -11.340
158 HE1 PHE 1 HE1 PHE 1 15.598 -6.504 -13.680
159 HE2 PHE 1 HE2 PHE 1 16.418 -2.278 -13.530
160 HZ PHE 1 HZ PHE 1 16.599 -4.474 -14.697
161 H VAL 2 H VAL 2 12.803 -5.634 -7.943
162 HA VAL 2 HA VAL 2 10.448 -4.824 -6.458
163 HB VAL 2 HB VAL 2 12.900 -6.400 -5.559
164 HG11 VAL 2 HG11 VAL 2 10.185 -6.059 -4.207
165 HG12 VAL 2 HG12 VAL 2 11.409 -7.271 -3.739
166 HG13 VAL 2 HG13 VAL 2 11.761 -5.546 -3.570
167 HG21 VAL 2 HG21 VAL 2 11.415 -8.378 -5.844
168 HG22 VAL 2 HG22 VAL 2 10.159 -7.326 -6.514
169 HG23 VAL 2 HG23 VAL 2 11.698 -7.549 -7.367
170 H ASN 3 H ASN 3 10.236 -3.493 -4.717
171 HA ASN 3 HA ASN 3 10.548 -1.844 -3.273
172 HB2 ASN 3 HB2 ASN 3 11.986 -3.458 -2.208
173 HB3 ASN 3 HB3 ASN 3 13.385 -2.902 -3.130
174 HD21 ASN 3 HD21 ASN 3 10.864 -0.836 -1.466
175 HD22 ASN 3 HD22 ASN 3 12.033 -0.171 -0.344
176 H GLN 4 H GLN 4 10.106 -0.528 -5.259
177 HA GLN 4 HA GLN 4 12.044 1.697 -5.533
178 HB2 GLN 4 HB2 GLN 4 10.900 0.110 -7.884
179 HB3 GLN 4 HB3 GLN 4 11.727 1.662 -8.023
180 HG2 GLN 4 HG2 GLN 4 13.758 0.582 -6.911
181 HG3 GLN 4 HG3 GLN 4 12.948 -0.974 -7.163
182 HE21 GLN 4 HE21 GLN 4 14.689 1.673 -8.750
183 HE22 GLN 4 HE22 GLN 4 14.678 0.925 -10.342
184 H HIS 5 H HIS 5 10.706 3.231 -7.371
185 HA HIS 5 HA HIS 5 8.133 3.949 -6.116
186 HB2 HIS 5 HB2 HIS 5 9.637 4.964 -8.567
187 HB3 HIS 5 HB3 HIS 5 8.043 5.528 -8.108
188 HD1 HIS 5 HD1 HIS 5 8.070 7.701 -6.748
189 HD2 HIS 5 HD2 HIS 5 11.597 5.418 -6.440
190 HE1 HIS 5 HE1 HIS 5 9.734 9.117 -5.439
191 H LEU 6 H LEU 6 6.145 3.670 -7.100
192 HA LEU 6 HA LEU 6 5.839 2.285 -9.699
193 HB2 LEU 6 HB2 LEU 6 4.784 1.240 -7.038
194 HB3 LEU 6 HB3 LEU 6 4.049 0.798 -8.571
195 HG LEU 6 HG LEU 6 6.949 0.203 -7.877
196 HD11 LEU 6 HD11 LEU 6 6.147 -2.106 -7.471
197 HD12 LEU 6 HD12 LEU 6 4.471 -1.541 -7.669
198 HD13 LEU 6 HD13 LEU 6 5.457 -0.944 -6.325
199 HD21 LEU 6 HD21 LEU 6 6.758 -1.410 -9.757
200 HD22 LEU 6 HD22 LEU 6 6.481 0.244 -10.325
201 HD23 LEU 6 HD23 LEU 6 5.103 -0.853 -10.065
202 H CYS 7 HN CYS 7 4.319 3.425 -10.824
203 HA CYS 7 HA CYS 7 2.140 4.777 -9.307
204 HB2 CYS 7 HB2 CYS 7 4.225 6.217 -9.818
205 HB3 CYS 7 HB3 CYS 7 3.718 6.146 -11.502
206 H GLY 8 H GLY 8 0.254 5.241 -10.401
207 HA2 GLY 8 HA2 GLY 8 -1.505 4.854 -11.852
208 HA3 GLY 8 HA3 GLY 8 -0.290 5.108 -13.107
209 H SER 9 H SER 9 -0.698 3.630 -14.616
210 HA SER 9 HA SER 9 -1.817 1.082 -14.339
211 HB2 SER 9 HB2 SER 9 0.197 1.980 -16.432
212 HB3 SER 9 HB3 SER 9 -0.986 0.668 -16.583
213 HG SER 9 HG SER 9 -1.721 2.623 -17.579
214 H HIS 10 H HIS 10 1.632 1.979 -13.886
215 HA HIS 10 HA HIS 10 2.550 -0.796 -13.940
216 HB2 HIS 10 HB2 HIS 10 3.907 1.285 -14.489
217 HB3 HIS 10 HB3 HIS 10 3.971 1.616 -12.761
218 HD1 HIS 10 HD1 HIS 10 4.373 -1.828 -12.375
219 HD2 HIS 10 HD2 HIS 10 6.647 1.098 -14.367
220 HE1 HIS 10 HE1 HIS 10 6.726 -2.787 -12.616
221 H LEU 11 H LEU 11 1.510 1.472 -11.383
222 HA LEU 11 HA LEU 11 2.092 -0.312 -9.167
223 HB2 LEU 11 HB2 LEU 11 1.780 2.158 -8.947
224 HB3 LEU 11 HB3 LEU 11 0.105 2.004 -9.449
225 HG LEU 11 HG LEU 11 -0.376 0.641 -7.400
226 HD11 LEU 11 HD11 LEU 11 1.271 0.690 -5.550
227 HD12 LEU 11 HD12 LEU 11 2.494 1.333 -6.664
228 HD13 LEU 11 HD13 LEU 11 1.837 -0.301 -6.909
229 HD21 LEU 11 HD21 LEU 11 -0.715 3.087 -7.496
230 HD22 LEU 11 HD22 LEU 11 0.923 3.344 -6.862
231 HD23 LEU 11 HD23 LEU 11 -0.305 2.525 -5.869
232 H VAL 12 H VAL 12 -0.832 0.348 -11.097
233 HA VAL 12 HA VAL 12 -2.534 -1.564 -9.815
234 HB VAL 12 HB VAL 12 -2.568 -0.425 -12.632
235 HG11 VAL 12 HG11 VAL 12 -4.682 -2.166 -11.285
236 HG12 VAL 12 HG12 VAL 12 -4.952 -1.198 -12.753
237 HG13 VAL 12 HG13 VAL 12 -3.791 -2.527 -12.784
238 HG21 VAL 12 HG21 VAL 12 -4.435 0.936 -11.740
239 HG22 VAL 12 HG22 VAL 12 -4.288 0.128 -10.164
240 HG23 VAL 12 HG23 VAL 12 -2.986 1.177 -10.753
241 H GLU 13 H GLU 13 -0.341 -1.972 -12.673
242 HA GLU 13 HA GLU 13 -0.844 -4.739 -13.069
243 HB2 GLU 13 HB2 GLU 13 0.302 -3.269 -14.666
244 HB3 GLU 13 HB3 GLU 13 1.694 -3.140 -13.583
245 HG2 GLU 13 HG2 GLU 13 2.134 -5.544 -13.810
246 HG3 GLU 13 HG3 GLU 13 0.664 -5.752 -14.769
247 H ALA 14 H ALA 14 1.646 -3.131 -10.961
248 HA ALA 14 HA ALA 14 2.779 -5.565 -9.979
249 HB1 ALA 14 HB1 ALA 14 3.841 -3.337 -9.799
250 HB2 ALA 14 HB2 ALA 14 2.581 -2.829 -8.649
251 HB3 ALA 14 HB3 ALA 14 3.707 -4.136 -8.218
252 H LEU 15 H LEU 15 0.001 -3.641 -8.736
253 HA LEU 15 HA LEU 15 -0.596 -5.293 -6.472
254 HB2 LEU 15 HB2 LEU 15 -2.207 -3.435 -8.251
255 HB3 LEU 15 HB3 LEU 15 -2.989 -4.354 -6.975
256 HG LEU 15 HG LEU 15 -0.571 -2.662 -6.312
257 HD11 LEU 15 HD11 LEU 15 -3.453 -1.695 -6.494
258 HD12 LEU 15 HD12 LEU 15 -2.106 -1.154 -7.507
259 HD13 LEU 15 HD13 LEU 15 -2.099 -0.791 -5.774
260 HD21 LEU 15 HD21 LEU 15 -1.610 -2.606 -4.093
261 HD22 LEU 15 HD22 LEU 15 -1.555 -4.298 -4.627
262 HD23 LEU 15 HD23 LEU 15 -3.072 -3.398 -4.713
263 H TYR 16 H TYR 16 -1.747 -5.599 -9.899
264 HA TYR 16 HA TYR 16 -3.264 -7.992 -9.410
265 HB2 TYR 16 HB2 TYR 16 -2.063 -6.723 -11.877
266 HB3 TYR 16 HB3 TYR 16 -2.713 -8.349 -11.955
267 HD1 TYR 16 HD2 TYR 16 -5.125 -8.677 -10.817
268 HD2 TYR 16 HD1 TYR 16 -3.587 -5.008 -12.475
269 HE1 TYR 16 HE2 TYR 16 -7.445 -7.843 -11.114
270 HE2 TYR 16 HE1 TYR 16 -5.909 -4.164 -12.772
271 HH TYR 16 HH TYR 16 -8.158 -4.602 -12.499
272 H LEU 17 H LEU 17 0.187 -7.577 -10.335
273 HA LEU 17 HA LEU 17 0.745 -10.397 -10.521
274 HB2 LEU 17 HB2 LEU 17 2.504 -7.959 -10.015
275 HB3 LEU 17 HB3 LEU 17 3.161 -9.580 -10.198
276 HG LEU 17 HG LEU 17 1.465 -8.239 -12.349
277 HD11 LEU 17 HD11 LEU 17 4.499 -8.412 -12.110
278 HD12 LEU 17 HD12 LEU 17 3.525 -6.934 -11.955
279 HD13 LEU 17 HD13 LEU 17 3.596 -7.787 -13.508
280 HD21 LEU 17 HD21 LEU 17 2.488 -9.952 -13.820
281 HD22 LEU 17 HD22 LEU 17 1.510 -10.685 -12.549
282 HD23 LEU 17 HD23 LEU 17 3.287 -10.688 -12.415
283 H VAL 18 H VAL 18 1.093 -8.148 -7.761
284 HA VAL 18 HA VAL 18 2.132 -10.129 -5.948
285 HB VAL 18 HB VAL 18 0.861 -7.398 -5.554
286 HG11 VAL 18 HG11 VAL 18 0.314 -8.552 -3.488
287 HG12 VAL 18 HG12 VAL 18 1.971 -9.203 -3.355
288 HG13 VAL 18 HG13 VAL 18 1.665 -7.461 -3.201
289 HG21 VAL 18 HG21 VAL 18 3.692 -8.480 -5.157
290 HG22 VAL 18 HG22 VAL 18 3.154 -7.512 -6.538
291 HG23 VAL 18 HG23 VAL 18 3.184 -6.802 -4.917
292 H CYS 19 HN CYS 19 -1.215 -8.850 -6.390
293 HA CYS 19 HA CYS 19 -2.196 -10.493 -4.182
294 HB2 CYS 19 HB2 CYS 19 -2.823 -8.117 -4.664
295 HB3 CYS 19 HB3 CYS 19 -3.661 -8.661 -6.113
296 H GLY 20 H GLY 20 -2.492 -10.585 -7.734
297 HA2 GLY 20 HA2 GLY 20 -3.242 -12.259 -9.161
298 HA3 GLY 20 HA3 GLY 20 -3.291 -13.361 -7.769
299 H GLU 21 H GLU 21 -5.197 -14.300 -8.307
300 HA GLU 21 HA GLU 21 -7.601 -12.974 -9.069
301 HB2 GLU 21 HB2 GLU 21 -6.925 -15.349 -9.513
302 HB3 GLU 21 HB3 GLU 21 -7.232 -15.731 -7.820
303 HG2 GLU 21 HG2 GLU 21 -9.616 -15.245 -8.105
304 HG3 GLU 21 HG3 GLU 21 -9.331 -14.611 -9.731
305 H ARG 22 H ARG 22 -6.192 -13.240 -5.917
306 HA ARG 22 HA ARG 22 -8.453 -13.433 -4.238
307 HB2 ARG 22 HB2 ARG 22 -5.786 -12.023 -3.826
308 HB3 ARG 22 HB3 ARG 22 -6.950 -12.358 -2.540
309 HG2 ARG 22 HG2 ARG 22 -6.773 -14.783 -2.984
310 HG3 ARG 22 HG3 ARG 22 -5.539 -14.484 -4.222
311 HD2 ARG 22 HD2 ARG 22 -5.300 -13.629 -1.316
312 HD3 ARG 22 HD3 ARG 22 -4.654 -15.139 -1.956
313 HE ARG 22 HE ARG 22 -3.491 -13.405 -3.647
314 HH11 ARG 22 HH11 ARG 22 -3.857 -12.660 -0.208
315 HH12 ARG 22 HH12 ARG 22 -2.144 -12.344 -0.020
316 HH21 ARG 22 HH21 ARG 22 -1.317 -12.849 -3.320
317 HH22 ARG 22 HH22 ARG 22 -0.790 -12.327 -1.732
318 H GLY 23 H GLY 23 -7.211 -10.621 -5.961
319 HA2 GLY 23 HA2 GLY 23 -8.268 -8.605 -6.445
320 HA3 GLY 23 HA3 GLY 23 -9.619 -9.049 -5.383
321 H PHE 24 H PHE 24 -7.833 -6.585 -5.776
322 HA PHE 24 HA PHE 24 -7.091 -6.141 -2.926
323 HB2 PHE 24 HB2 PHE 24 -5.395 -4.557 -3.812
324 HB3 PHE 24 HB3 PHE 24 -5.128 -6.223 -4.274
325 HD1 PHE 24 HD1 PHE 24 -6.090 -2.877 -5.526
326 HD2 PHE 24 HD2 PHE 24 -5.246 -6.965 -6.592
327 HE1 PHE 24 HE1 PHE 24 -5.862 -2.208 -7.903
328 HE2 PHE 24 HE2 PHE 24 -5.038 -6.295 -8.964
329 HZ PHE 24 HZ PHE 24 -5.337 -3.926 -9.635
330 H PHE 25 H PHE 25 -7.324 -4.142 -2.036
331 HA PHE 25 HA PHE 25 -9.460 -2.355 -3.120
332 HB2 PHE 25 HB2 PHE 25 -10.125 -2.106 -0.694
333 HB3 PHE 25 HB3 PHE 25 -10.442 -3.655 -1.426
334 HD1 PHE 25 HD2 PHE 25 -8.272 -1.890 1.040
335 HD2 PHE 25 HD1 PHE 25 -9.407 -5.692 -0.653
336 HE1 PHE 25 HE2 PHE 25 -7.074 -3.067 2.865
337 HE2 PHE 25 HE1 PHE 25 -8.243 -6.861 1.192
338 HZ PHE 25 HZ PHE 25 -7.054 -5.558 2.946
339 H TYR 26 H TYR 26 -6.753 -1.952 -3.676
340 HA TYR 26 HA TYR 26 -5.234 -0.342 -2.033
341 HB2 TYR 26 HB2 TYR 26 -3.958 0.123 -3.883
342 HB3 TYR 26 HB3 TYR 26 -4.695 -1.391 -4.300
343 HD1 TYR 26 HD1 TYR 26 -7.279 -0.727 -5.516
344 HD2 TYR 26 HD2 TYR 26 -3.543 1.419 -5.735
345 HE1 TYR 26 HE1 TYR 26 -7.963 0.226 -7.694
346 HE2 TYR 26 HE2 TYR 26 -4.232 2.384 -7.913
347 HH TYR 26 HH TYR 26 -7.389 1.621 -9.438
348 H THR 27 H THR 27 -4.945 1.816 -1.563
349 HA THR 27 HA THR 27 -7.315 3.508 -1.806
350 HB THR 27 HB THR 27 -5.996 4.936 -0.152
351 HG1 THR 27 HG1 THR 27 -4.524 3.365 1.008
352 HG21 THR 27 HG21 THR 27 -6.598 3.403 1.707
353 HG22 THR 27 HG22 THR 27 -6.820 2.077 0.538
354 HG23 THR 27 HG23 THR 27 -7.874 3.502 0.480
355 HA PRO 28 HA PRO 28 -5.173 6.191 -4.818
356 HB2 PRO 28 HB2 PRO 28 -7.333 7.326 -5.946
357 HB3 PRO 28 HB3 PRO 28 -6.880 5.635 -6.318
358 HG2 PRO 28 HG2 PRO 28 -8.930 6.605 -4.285
359 HG3 PRO 28 HG3 PRO 28 -9.144 5.361 -5.561
360 HD2 PRO 28 HD2 PRO 28 -8.513 4.737 -2.977
361 HD3 PRO 28 HD3 PRO 28 -7.903 3.791 -4.367
362 H LYS 29 H LYS 29 -5.044 8.576 -4.891
363 HA LYS 29 HA LYS 29 -5.328 9.671 -2.266
364 HB2 LYS 29 HB2 LYS 29 -3.473 10.171 -3.870
365 HB3 LYS 29 HB3 LYS 29 -4.584 11.116 -4.857
366 HG2 LYS 29 HG2 LYS 29 -3.091 12.471 -3.349
367 HG3 LYS 29 HG3 LYS 29 -4.807 12.790 -3.107
368 HD2 LYS 29 HD2 LYS 29 -4.842 11.374 -1.111
369 HD3 LYS 29 HD3 LYS 29 -3.171 10.877 -1.396
370 HE2 LYS 29 HE2 LYS 29 -2.492 13.274 -0.991
371 HE3 LYS 29 HE3 LYS 29 -4.196 13.645 -0.642
372 HZ1 LYS 29 HZ1 LYS 29 -2.473 11.730 0.816
373 HZ2 LYS 29 HZ2 LYS 29 -4.086 11.878 1.094
374 HZ3 LYS 29 HZ3 LYS 29 -3.067 13.139 1.417
375 H THR 30 H THR 30 -7.597 9.532 -4.785
376 HA THR 30 HA THR 30 -9.280 11.807 -4.108
377 HB THR 30 HB THR 30 -11.042 10.443 -5.285
378 HG1 THR 30 HG1 THR 30 -10.293 8.550 -6.306
379 HG21 THR 30 HG21 THR 30 -9.584 12.035 -6.526
380 HG22 THR 30 HG22 THR 30 -10.030 10.629 -7.509
381 HG23 THR 30 HG23 THR 30 -8.402 10.736 -6.798
382 H LYS 31 H LYS 31 -8.771 8.635 -2.690
383 HA LYS 31 HA LYS 31 -11.075 9.037 -0.822
384 HB2 LYS 31 HB2 LYS 31 -9.358 6.611 -1.502
385 HB3 LYS 31 HB3 LYS 31 -10.542 6.657 -0.180
386 HG2 LYS 31 HG2 LYS 31 -12.330 7.252 -1.803
387 HG3 LYS 31 HG3 LYS 31 -11.158 7.114 -3.132
388 HD2 LYS 31 HD2 LYS 31 -10.825 4.727 -2.636
389 HD3 LYS 31 HD3 LYS 31 -11.837 4.863 -1.193
390 HE2 LYS 31 HE2 LYS 31 -13.153 3.830 -2.913
391 HE3 LYS 31 HE3 LYS 31 -13.797 5.439 -2.594
392 HZ1 LYS 31 HZ1 LYS 31 -13.652 4.970 -4.970
393 HZ2 LYS 31 HZ2 LYS 31 -12.041 4.734 -4.884
394 HZ3 LYS 31 HZ3 LYS 31 -12.678 6.222 -4.604
395 H ARG 32 H ARG 32 -7.534 8.342 -0.676
396 HA ARG 32 HA ARG 32 -7.459 9.474 2.106
397 HB2 ARG 32 HB2 ARG 32 -6.210 6.863 1.145
398 HB3 ARG 32 HB3 ARG 32 -5.873 7.617 2.686
399 HG2 ARG 32 HG2 ARG 32 -8.539 6.447 1.797
400 HG3 ARG 32 HG3 ARG 32 -7.420 5.761 2.964
401 HD2 ARG 32 HD2 ARG 32 -9.084 8.272 3.296
402 HD3 ARG 32 HD3 ARG 32 -9.280 6.747 4.133
403 HE ARG 32 HE ARG 32 -7.085 7.142 5.228
404 HH11 ARG 32 HH11 ARG 32 -8.830 9.967 4.074
405 HH12 ARG 32 HH12 ARG 32 -7.965 11.037 5.142
406 HH21 ARG 32 HH22 ARG 32 -6.039 8.571 6.563
407 HH22 ARG 32 HH21 ARG 32 -6.464 10.260 6.536
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 -5.431 6.457 0.812
2 H2 GLY 1 2H GLY 1 -3.891 5.940 1.028
3 H3 GLY 1 3H GLY 1 -5.136 4.867 1.105
4 HA2 GLY 1 HA2 GLY 1 -5.643 5.298 -1.245
5 HA3 GLY 1 HA3 GLY 1 -4.210 6.331 -1.281
6 H ILE 2 H ILE 2 -2.316 5.479 -1.403
7 HA ILE 2 HA ILE 2 -0.856 3.459 -0.726
8 HB ILE 2 HB ILE 2 -2.360 1.692 -1.478
9 HG12 ILE 2 HG12 ILE 2 0.269 1.782 -3.005
10 HG13 ILE 2 HG13 ILE 2 0.037 1.322 -1.319
11 HG21 ILE 2 HG21 ILE 2 -2.820 1.205 -3.807
12 HG22 ILE 2 HG22 ILE 2 -3.361 2.846 -3.495
13 HG23 ILE 2 HG23 ILE 2 -1.843 2.566 -4.361
14 HD11 ILE 2 HD11 ILE 2 -1.508 -0.553 -2.224
15 HD12 ILE 2 HD12 ILE 2 -0.820 -0.154 -3.812
16 HD13 ILE 2 HD13 ILE 2 0.241 -0.698 -2.505
17 H VAL 3 H VAL 3 -1.864 5.025 -3.715
18 HA VAL 3 HA VAL 3 0.684 5.047 -4.956
19 HB VAL 3 HB VAL 3 -1.555 5.335 -6.028
20 HG11 VAL 3 HG11 VAL 3 -2.425 7.169 -4.549
21 HG12 VAL 3 HG12 VAL 3 -1.279 8.270 -5.355
22 HG13 VAL 3 HG13 VAL 3 -2.575 7.496 -6.282
23 HG21 VAL 3 HG21 VAL 3 -0.767 6.665 -7.886
24 HG22 VAL 3 HG22 VAL 3 0.487 7.414 -6.880
25 HG23 VAL 3 HG23 VAL 3 0.558 5.671 -7.260
26 H GLU 4 H GLU 4 -0.590 7.193 -2.457
27 HA GLU 4 HA GLU 4 1.429 9.227 -2.655
28 HB2 GLU 4 HB2 GLU 4 0.693 9.950 -0.512
29 HB3 GLU 4 HB3 GLU 4 -0.720 9.582 -1.463
30 HG2 GLU 4 HG2 GLU 4 0.408 7.630 0.593
31 HG3 GLU 4 HG3 GLU 4 -0.681 8.941 1.007
32 H GLN 5 H GLN 5 1.708 5.948 -1.700
33 HA GLN 5 HA GLN 5 4.333 6.517 -0.351
34 HB2 GLN 5 HB2 GLN 5 2.752 5.126 0.974
35 HB3 GLN 5 HB3 GLN 5 2.635 3.984 -0.365
36 HG2 GLN 5 HG2 GLN 5 4.160 3.132 1.334
37 HG3 GLN 5 HG3 GLN 5 5.040 3.432 -0.152
38 HE21 GLN 5 HE21 GLN 5 7.086 4.362 0.251
39 HE22 GLN 5 HE22 GLN 5 7.385 5.457 1.590
40 H CYS 6 HN CYS 6 2.750 4.473 -2.886
41 HA CYS 6 HA CYS 6 5.301 3.428 -3.727
42 HB2 CYS 6 HB2 CYS 6 2.475 3.251 -4.782
43 HB3 CYS 6 HB3 CYS 6 3.831 2.502 -5.616
44 H CYS 7 HN CYS 7 3.482 6.198 -4.996
45 HA CYS 7 HA CYS 7 5.141 6.135 -7.480
46 HB2 CYS 7 HB2 CYS 7 2.721 6.335 -7.645
47 HB3 CYS 7 HB3 CYS 7 2.750 7.842 -6.726
48 H THR 8 H THR 8 4.228 8.617 -5.043
49 HA THR 8 HA THR 8 6.192 10.567 -5.895
50 HB THR 8 HB THR 8 5.604 11.595 -3.633
51 HG1 THR 8 HG1 THR 8 3.936 10.612 -2.520
52 HG21 THR 8 HG21 THR 8 3.330 12.246 -4.325
53 HG22 THR 8 HG22 THR 8 3.264 10.895 -5.477
54 HG23 THR 8 HG23 THR 8 4.418 12.222 -5.726
55 H SER 9 H SER 9 6.051 8.294 -3.190
56 HA SER 9 HA SER 9 9.029 8.447 -2.886
57 HB2 SER 9 HB2 SER 9 7.580 8.902 -0.885
58 HB3 SER 9 HB3 SER 9 7.034 7.225 -0.966
59 HG SER 9 HG SER 9 8.912 7.706 0.460
60 H ILE 10 H ILE 10 9.237 5.886 -1.693
61 HA ILE 10 HA ILE 10 8.970 4.051 -4.069
62 HB ILE 10 HB ILE 10 11.171 4.501 -2.021
63 HG12 ILE 10 HG12 ILE 10 11.158 4.302 -5.065
64 HG13 ILE 10 HG13 ILE 10 11.143 5.801 -4.149
65 HG21 ILE 10 HG21 ILE 10 10.912 2.048 -3.784
66 HG22 ILE 10 HG22 ILE 10 12.337 2.489 -2.826
67 HG23 ILE 10 HG23 ILE 10 10.842 2.092 -2.003
68 HD11 ILE 10 HD11 ILE 10 13.417 3.793 -4.299
69 HD12 ILE 10 HD12 ILE 10 13.376 5.449 -4.901
70 HD13 ILE 10 HD13 ILE 10 13.372 5.160 -3.151
71 H CYS 11 HN CYS 11 8.377 1.875 -3.699
72 HA CYS 11 HA CYS 11 7.748 1.120 -0.923
73 HB2 CYS 11 HB2 CYS 11 5.494 0.558 -1.273
74 HB3 CYS 11 HB3 CYS 11 5.703 2.162 -1.933
75 H SER 12 H SER 12 7.337 -1.096 -0.533
76 HA SER 12 HA SER 12 8.784 -2.982 -2.345
77 HB2 SER 12 HB2 SER 12 9.019 -4.359 -0.392
78 HB3 SER 12 HB3 SER 12 9.454 -2.706 0.070
79 HG SER 12 HG SER 12 8.088 -3.550 1.640
80 H LEU 13 H LEU 13 7.985 -5.242 -2.424
81 HA LEU 13 HA LEU 13 5.248 -5.439 -3.308
82 HB2 LEU 13 HB2 LEU 13 7.171 -7.643 -2.492
83 HB3 LEU 13 HB3 LEU 13 5.732 -7.806 -3.506
84 HG LEU 13 HG LEU 13 8.369 -6.462 -4.192
85 HD11 LEU 13 HD11 LEU 13 8.431 -8.191 -5.966
86 HD12 LEU 13 HD12 LEU 13 6.867 -8.818 -5.417
87 HD13 LEU 13 HD13 LEU 13 8.290 -8.927 -4.362
88 HD21 LEU 13 HD21 LEU 13 7.466 -5.974 -6.439
89 HD22 LEU 13 HD22 LEU 13 6.612 -5.052 -5.201
90 HD23 LEU 13 HD23 LEU 13 5.861 -6.496 -5.912
91 H TYR 14 H TYR 14 6.769 -5.907 -0.149
92 HA TYR 14 HA TYR 14 4.498 -7.182 1.118
93 HB2 TYR 14 HB2 TYR 14 6.766 -7.259 2.058
94 HB3 TYR 14 HB3 TYR 14 6.760 -5.506 2.265
95 HD1 TYR 14 HD2 TYR 14 5.081 -8.668 3.362
96 HD2 TYR 14 HD1 TYR 14 5.783 -4.497 4.193
97 HE1 TYR 14 HE2 TYR 14 4.005 -8.935 5.587
98 HE2 TYR 14 HE1 TYR 14 4.703 -4.751 6.418
99 HH TYR 14 HH TYR 14 3.377 -7.898 7.545
100 H GLN 15 H GLN 15 5.369 -3.789 0.495
101 HA GLN 15 HA GLN 15 3.068 -2.702 1.963
102 HB2 GLN 15 HB2 GLN 15 5.018 -1.486 -0.023
103 HB3 GLN 15 HB3 GLN 15 3.692 -0.590 0.722
104 HG2 GLN 15 HG2 GLN 15 4.565 -0.941 2.946
105 HG3 GLN 15 HG3 GLN 15 5.817 -2.040 2.368
106 HE21 GLN 15 HE21 GLN 15 5.348 1.170 3.322
107 HE22 GLN 15 HE22 GLN 15 6.731 1.843 2.473
108 H LEU 16 H LEU 16 3.591 -3.864 -1.376
109 HA LEU 16 HA LEU 16 0.979 -2.981 -2.310
110 HB2 LEU 16 HB2 LEU 16 2.688 -5.327 -3.245
111 HB3 LEU 16 HB3 LEU 16 1.292 -4.678 -4.074
112 HG LEU 16 HG LEU 16 3.950 -3.264 -3.642
113 HD11 LEU 16 HD11 LEU 16 4.109 -3.422 -6.099
114 HD12 LEU 16 HD12 LEU 16 2.547 -4.273 -6.155
115 HD13 LEU 16 HD13 LEU 16 3.958 -5.014 -5.357
116 HD21 LEU 16 HD21 LEU 16 3.033 -1.475 -5.099
117 HD22 LEU 16 HD22 LEU 16 2.220 -1.557 -3.532
118 HD23 LEU 16 HD23 LEU 16 1.427 -2.226 -4.980
119 H GLU 17 H GLU 17 2.146 -6.100 -0.990
120 HA GLU 17 HA GLU 17 -0.304 -7.467 -0.827
121 HB2 GLU 17 HB2 GLU 17 2.304 -7.587 0.657
122 HB3 GLU 17 HB3 GLU 17 0.971 -8.505 1.310
123 HG2 GLU 17 HG2 GLU 17 1.861 -8.741 -1.591
124 HG3 GLU 17 HG3 GLU 17 2.522 -9.726 -0.286
125 H ASN 18 H ASN 18 0.939 -4.958 1.386
126 HA ASN 18 HA ASN 18 -0.780 -5.383 3.570
127 HB2 ASN 18 HB2 ASN 18 1.206 -3.887 3.499
128 HB3 ASN 18 HB3 ASN 18 0.278 -2.748 2.510
129 HD21 ASN 18 HD21 ASN 18 0.211 -4.429 5.712
130 HD22 ASN 18 HD22 ASN 18 -0.611 -3.112 6.531
131 H TYR 19 H TYR 19 -1.600 -4.044 0.435
132 HA TYR 19 HA TYR 19 -4.301 -3.172 1.377
133 HB2 TYR 19 HB2 TYR 19 -2.677 -2.606 -1.129
134 HB3 TYR 19 HB3 TYR 19 -4.380 -2.201 -0.978
135 HD1 TYR 19 HD1 TYR 19 -0.994 -1.360 0.232
136 HD2 TYR 19 HD2 TYR 19 -5.190 -0.459 0.502
137 HE1 TYR 19 HE1 TYR 19 -0.452 0.783 1.375
138 HE2 TYR 19 HE2 TYR 19 -4.663 1.687 1.646
139 HH TYR 19 HH TYR 19 -1.288 2.720 2.320
140 H CYS 20 HN CYS 20 -2.943 -6.002 0.257
141 HA CYS 20 HA CYS 20 -5.140 -6.756 -1.574
142 HB2 CYS 20 HB2 CYS 20 -2.663 -8.234 -0.661
143 HB3 CYS 20 HB3 CYS 20 -3.874 -8.855 -1.793
144 H ASN 21 H ASN 21 -6.420 -8.593 -1.329
145 HA ASN 21 HA ASN 21 -7.542 -8.929 1.361
146 HB2 ASN 21 HB2 ASN 21 -8.293 -9.982 -1.406
147 HB3 ASN 21 HB3 ASN 21 -9.215 -10.328 0.046
148 HD21 ASN 21 HD22 ASN 21 -10.042 -8.378 1.286
149 HD22 ASN 21 HD21 ASN 21 -10.550 -7.001 0.318
150 H1 PHE 1 H1 PHE 1 17.200 -3.548 -7.855
151 H2 PHE 1 H2 PHE 1 16.172 -2.580 -7.011
152 H3 PHE 1 H3 PHE 1 15.825 -2.986 -8.549
153 HA PHE 1 HA PHE 1 15.537 -5.261 -8.019
154 HB2 PHE 1 HB2 PHE 1 15.777 -6.184 -5.865
155 HB3 PHE 1 HB3 PHE 1 17.228 -5.297 -6.208
156 HD1 PHE 1 HD1 PHE 1 17.532 -2.938 -5.094
157 HD2 PHE 1 HD2 PHE 1 14.601 -5.859 -3.822
158 HE1 PHE 1 HE1 PHE 1 17.367 -1.834 -2.893
159 HE2 PHE 1 HE2 PHE 1 14.470 -4.749 -1.620
160 HZ PHE 1 HZ PHE 1 15.857 -2.741 -1.144
161 H VAL 2 H VAL 2 13.608 -5.979 -6.148
162 HA VAL 2 HA VAL 2 11.381 -4.801 -7.429
163 HB VAL 2 HB VAL 2 9.942 -6.128 -5.975
164 HG11 VAL 2 HG11 VAL 2 12.370 -7.701 -6.938
165 HG12 VAL 2 HG12 VAL 2 10.745 -8.330 -6.657
166 HG13 VAL 2 HG13 VAL 2 11.008 -7.152 -7.948
167 HG21 VAL 2 HG21 VAL 2 12.456 -6.936 -4.447
168 HG22 VAL 2 HG22 VAL 2 11.122 -5.943 -3.816
169 HG23 VAL 2 HG23 VAL 2 10.839 -7.632 -4.251
170 H ASN 3 H ASN 3 12.896 -3.684 -4.485
171 HA ASN 3 HA ASN 3 10.646 -2.026 -3.612
172 HB2 ASN 3 HB2 ASN 3 12.364 -2.829 -2.043
173 HB3 ASN 3 HB3 ASN 3 13.619 -2.009 -2.979
174 HD21 ASN 3 HD21 ASN 3 10.501 -1.235 -1.268
175 HD22 ASN 3 HD22 ASN 3 11.103 0.278 -0.631
176 H GLN 4 H GLN 4 9.958 -0.339 -4.910
177 HA GLN 4 HA GLN 4 11.841 1.446 -6.279
178 HB2 GLN 4 HB2 GLN 4 11.113 -1.031 -7.541
179 HB3 GLN 4 HB3 GLN 4 10.169 0.197 -8.348
180 HG2 GLN 4 HG2 GLN 4 12.251 1.512 -8.784
181 HG3 GLN 4 HG3 GLN 4 13.191 0.256 -7.969
182 HE21 GLN 4 HE21 GLN 4 12.869 -2.089 -8.924
183 HE22 GLN 4 HE22 GLN 4 12.752 -2.134 -10.684
184 H HIS 5 H HIS 5 10.472 2.717 -8.105
185 HA HIS 5 HA HIS 5 8.066 3.836 -6.804
186 HB2 HIS 5 HB2 HIS 5 9.534 4.545 -9.375
187 HB3 HIS 5 HB3 HIS 5 8.079 5.344 -8.798
188 HD1 HIS 5 HD1 HIS 5 8.350 7.083 -6.772
189 HD2 HIS 5 HD2 HIS 5 11.858 5.226 -8.175
190 HE1 HIS 5 HE1 HIS 5 10.297 8.433 -5.845
191 H LEU 6 H LEU 6 6.013 3.411 -7.464
192 HA LEU 6 HA LEU 6 5.403 2.179 -10.098
193 HB2 LEU 6 HB2 LEU 6 4.580 1.131 -7.360
194 HB3 LEU 6 HB3 LEU 6 3.691 0.731 -8.823
195 HG LEU 6 HG LEU 6 6.635 0.042 -8.435
196 HD11 LEU 6 HD11 LEU 6 5.294 -1.071 -6.733
197 HD12 LEU 6 HD12 LEU 6 5.805 -2.249 -7.959
198 HD13 LEU 6 HD13 LEU 6 4.140 -1.629 -7.954
199 HD21 LEU 6 HD21 LEU 6 6.203 -1.547 -10.288
200 HD22 LEU 6 HD22 LEU 6 5.930 0.123 -10.809
201 HD23 LEU 6 HD23 LEU 6 4.543 -0.927 -10.440
202 H CYS 7 HN CYS 7 3.593 3.120 -10.990
203 HA CYS 7 HA CYS 7 1.868 4.828 -9.249
204 HB2 CYS 7 HB2 CYS 7 3.933 5.934 -10.562
205 HB3 CYS 7 HB3 CYS 7 2.803 5.884 -11.907
206 H GLY 8 H GLY 8 -0.222 5.166 -9.927
207 HA2 GLY 8 HA2 GLY 8 -2.245 4.708 -10.961
208 HA3 GLY 8 HA3 GLY 8 -1.314 5.133 -12.396
209 H SER 9 H SER 9 -1.736 3.772 -13.984
210 HA SER 9 HA SER 9 -2.846 1.217 -13.866
211 HB2 SER 9 HB2 SER 9 -0.965 2.279 -15.998
212 HB3 SER 9 HB3 SER 9 -2.182 1.001 -16.191
213 HG SER 9 HG SER 9 -2.917 3.058 -16.954
214 H HIS 10 H HIS 10 0.679 2.021 -13.705
215 HA HIS 10 HA HIS 10 1.463 -0.796 -13.924
216 HB2 HIS 10 HB2 HIS 10 2.966 1.762 -13.304
217 HB3 HIS 10 HB3 HIS 10 3.703 0.168 -13.329
218 HD1 HIS 10 HD1 HIS 10 2.814 -1.196 -15.889
219 HD2 HIS 10 HD2 HIS 10 3.433 2.970 -15.569
220 HE1 HIS 10 HE1 HIS 10 3.219 -0.335 -18.259
221 H LEU 11 H LEU 11 0.748 1.441 -11.279
222 HA LEU 11 HA LEU 11 1.658 -0.377 -9.186
223 HB2 LEU 11 HB2 LEU 11 1.455 2.041 -8.843
224 HB3 LEU 11 HB3 LEU 11 -0.271 1.988 -9.152
225 HG LEU 11 HG LEU 11 -0.664 0.708 -7.112
226 HD11 LEU 11 HD11 LEU 11 1.382 -0.627 -6.944
227 HD12 LEU 11 HD12 LEU 11 1.140 0.322 -5.476
228 HD13 LEU 11 HD13 LEU 11 2.350 0.842 -6.668
229 HD21 LEU 11 HD21 LEU 11 0.081 2.485 -5.494
230 HD22 LEU 11 HD22 LEU 11 -0.604 3.174 -6.981
231 HD23 LEU 11 HD23 LEU 11 1.156 3.140 -6.739
232 H VAL 12 H VAL 12 -1.496 0.303 -10.668
233 HA VAL 12 HA VAL 12 -3.031 -1.699 -9.327
234 HB VAL 12 HB VAL 12 -3.325 -0.349 -12.021
235 HG11 VAL 12 HG11 VAL 12 -5.353 -2.238 -10.752
236 HG12 VAL 12 HG12 VAL 12 -5.654 -1.178 -12.141
237 HG13 VAL 12 HG13 VAL 12 -4.493 -2.496 -12.286
238 HG21 VAL 12 HG21 VAL 12 -3.651 1.026 -9.962
239 HG22 VAL 12 HG22 VAL 12 -5.148 0.852 -10.887
240 HG23 VAL 12 HG23 VAL 12 -4.899 -0.106 -9.415
241 H GLU 13 H GLU 13 -1.191 -1.896 -12.420
242 HA GLU 13 HA GLU 13 -1.582 -4.638 -12.989
243 HB2 GLU 13 HB2 GLU 13 -0.671 -3.032 -14.551
244 HB3 GLU 13 HB3 GLU 13 0.720 -2.740 -13.501
245 HG2 GLU 13 HG2 GLU 13 1.594 -4.975 -13.941
246 HG3 GLU 13 HG3 GLU 13 0.157 -5.363 -14.903
247 H ALA 14 H ALA 14 1.068 -3.106 -11.020
248 HA ALA 14 HA ALA 14 2.354 -5.554 -10.356
249 HB1 ALA 14 HB1 ALA 14 3.443 -4.231 -8.591
250 HB2 ALA 14 HB2 ALA 14 3.371 -3.312 -10.108
251 HB3 ALA 14 HB3 ALA 14 2.241 -2.939 -8.788
252 H LEU 15 H LEU 15 -0.271 -3.790 -8.611
253 HA LEU 15 HA LEU 15 -0.495 -5.595 -6.406
254 HB2 LEU 15 HB2 LEU 15 -2.471 -3.764 -7.831
255 HB3 LEU 15 HB3 LEU 15 -2.915 -4.692 -6.412
256 HG LEU 15 HG LEU 15 -0.519 -2.850 -6.305
257 HD11 LEU 15 HD11 LEU 15 -3.405 -2.058 -5.700
258 HD12 LEU 15 HD12 LEU 15 -2.464 -1.506 -7.104
259 HD13 LEU 15 HD13 LEU 15 -1.958 -1.054 -5.479
260 HD21 LEU 15 HD21 LEU 15 -1.002 -2.857 -3.906
261 HD22 LEU 15 HD22 LEU 15 -0.927 -4.534 -4.471
262 HD23 LEU 15 HD23 LEU 15 -2.498 -3.781 -4.168
263 H TYR 16 H TYR 16 -2.114 -5.695 -9.624
264 HA TYR 16 HA TYR 16 -3.539 -8.148 -9.154
265 HB2 TYR 16 HB2 TYR 16 -2.648 -6.646 -11.627
266 HB3 TYR 16 HB3 TYR 16 -3.216 -8.297 -11.788
267 HD1 TYR 16 HD2 TYR 16 -5.484 -8.831 -10.410
268 HD2 TYR 16 HD1 TYR 16 -4.311 -5.017 -12.041
269 HE1 TYR 16 HE2 TYR 16 -7.862 -8.122 -10.450
270 HE2 TYR 16 HE1 TYR 16 -6.688 -4.299 -12.087
271 HH TYR 16 HH TYR 16 -9.352 -6.434 -10.959
272 H LEU 17 H LEU 17 -0.262 -7.592 -10.562
273 HA LEU 17 HA LEU 17 0.254 -10.366 -11.092
274 HB2 LEU 17 HB2 LEU 17 2.063 -7.939 -10.726
275 HB3 LEU 17 HB3 LEU 17 2.692 -9.525 -11.147
276 HG LEU 17 HG LEU 17 0.632 -8.066 -12.859
277 HD11 LEU 17 HD11 LEU 17 2.751 -6.780 -12.726
278 HD12 LEU 17 HD12 LEU 17 2.535 -7.502 -14.332
279 HD13 LEU 17 HD13 LEU 17 3.663 -8.237 -13.173
280 HD21 LEU 17 HD21 LEU 17 1.367 -9.653 -14.612
281 HD22 LEU 17 HD22 LEU 17 0.637 -10.490 -13.246
282 HD23 LEU 17 HD23 LEU 17 2.401 -10.479 -13.427
283 H VAL 18 H VAL 18 1.096 -8.362 -8.254
284 HA VAL 18 HA VAL 18 2.577 -10.467 -6.942
285 HB VAL 18 HB VAL 18 1.378 -7.883 -5.896
286 HG11 VAL 18 HG11 VAL 18 3.206 -9.828 -4.403
287 HG12 VAL 18 HG12 VAL 18 2.821 -8.172 -3.887
288 HG13 VAL 18 HG13 VAL 18 1.543 -9.386 -3.949
289 HG21 VAL 18 HG21 VAL 18 3.726 -7.173 -5.874
290 HG22 VAL 18 HG22 VAL 18 4.260 -8.768 -6.432
291 HG23 VAL 18 HG23 VAL 18 3.314 -7.722 -7.504
292 H CYS 19 HN CYS 19 -0.806 -9.263 -6.452
293 HA CYS 19 HA CYS 19 -1.211 -11.347 -4.396
294 HB2 CYS 19 HB2 CYS 19 -2.905 -8.999 -5.270
295 HB3 CYS 19 HB3 CYS 19 -3.205 -10.037 -3.875
296 H GLY 20 H GLY 20 -2.098 -10.998 -7.743
297 HA2 GLY 20 HA2 GLY 20 -3.138 -12.500 -9.146
298 HA3 GLY 20 HA3 GLY 20 -3.086 -13.659 -7.811
299 H GLU 21 H GLU 21 -5.040 -14.546 -8.203
300 HA GLU 21 HA GLU 21 -7.450 -13.261 -8.865
301 HB2 GLU 21 HB2 GLU 21 -6.836 -15.654 -9.185
302 HB3 GLU 21 HB3 GLU 21 -7.053 -15.927 -7.450
303 HG2 GLU 21 HG2 GLU 21 -9.445 -15.418 -7.640
304 HG3 GLU 21 HG3 GLU 21 -9.241 -14.918 -9.323
305 H ARG 22 H ARG 22 -5.979 -13.518 -5.705
306 HA ARG 22 HA ARG 22 -8.176 -13.388 -3.935
307 HB2 ARG 22 HB2 ARG 22 -5.398 -12.146 -3.822
308 HB3 ARG 22 HB3 ARG 22 -6.515 -12.130 -2.467
309 HG2 ARG 22 HG2 ARG 22 -6.409 -14.463 -2.142
310 HG3 ARG 22 HG3 ARG 22 -5.776 -14.777 -3.762
311 HD2 ARG 22 HD2 ARG 22 -4.093 -15.031 -1.908
312 HD3 ARG 22 HD3 ARG 22 -3.627 -13.963 -3.234
313 HE ARG 22 HE ARG 22 -4.887 -12.641 -0.898
314 HH11 ARG 22 HH21 ARG 22 -1.749 -13.354 -2.432
315 HH12 ARG 22 HH22 ARG 22 -0.995 -11.997 -1.620
316 HH21 ARG 22 HH11 ARG 22 -3.905 -11.068 0.044
317 HH22 ARG 22 HH12 ARG 22 -2.163 -10.754 -0.190
318 H GLY 23 H GLY 23 -6.624 -10.769 -5.797
319 HA2 GLY 23 HA2 GLY 23 -7.397 -8.640 -6.338
320 HA3 GLY 23 HA3 GLY 23 -8.879 -8.934 -5.407
321 H PHE 24 H PHE 24 -7.918 -6.529 -5.290
322 HA PHE 24 HA PHE 24 -6.921 -6.130 -2.539
323 HB2 PHE 24 HB2 PHE 24 -5.130 -4.659 -3.426
324 HB3 PHE 24 HB3 PHE 24 -4.993 -6.320 -4.000
325 HD1 PHE 24 HD1 PHE 24 -5.873 -2.872 -5.067
326 HD2 PHE 24 HD2 PHE 24 -5.187 -6.948 -6.290
327 HE1 PHE 24 HE1 PHE 24 -5.805 -2.150 -7.454
328 HE2 PHE 24 HE2 PHE 24 -5.153 -6.230 -8.653
329 HZ PHE 24 HZ PHE 24 -5.450 -3.845 -9.244
330 H PHE 25 H PHE 25 -6.975 -3.968 -1.795
331 HA PHE 25 HA PHE 25 -9.219 -2.313 -2.804
332 HB2 PHE 25 HB2 PHE 25 -9.052 -2.903 -0.393
333 HB3 PHE 25 HB3 PHE 25 -7.486 -2.110 -0.306
334 HD1 PHE 25 HD1 PHE 25 -11.149 -1.571 -0.801
335 HD2 PHE 25 HD2 PHE 25 -7.327 0.313 -0.121
336 HE1 PHE 25 HE1 PHE 25 -12.294 0.563 -0.265
337 HE2 PHE 25 HE2 PHE 25 -8.470 2.443 0.410
338 HZ PHE 25 HZ PHE 25 -10.959 2.573 0.346
339 H TYR 26 H TYR 26 -8.924 -0.156 -3.470
340 HA TYR 26 HA TYR 26 -6.241 1.033 -3.628
341 HB2 TYR 26 HB2 TYR 26 -6.334 -0.530 -5.570
342 HB3 TYR 26 HB3 TYR 26 -7.768 0.295 -6.159
343 HD1 TYR 26 HD2 TYR 26 -7.596 2.568 -7.162
344 HD2 TYR 26 HD1 TYR 26 -4.120 0.457 -5.723
345 HE1 TYR 26 HE2 TYR 26 -6.113 4.174 -8.362
346 HE2 TYR 26 HE1 TYR 26 -2.650 2.040 -6.936
347 HH TYR 26 HH TYR 26 -2.537 3.899 -8.285
348 H THR 27 H THR 27 -6.367 3.148 -3.383
349 HA THR 27 HA THR 27 -8.538 4.780 -4.525
350 HB THR 27 HB THR 27 -8.718 6.063 -2.325
351 HG1 THR 27 HG1 THR 27 -8.288 4.711 -0.482
352 HG21 THR 27 HG21 THR 27 -9.780 3.227 -2.204
353 HG22 THR 27 HG22 THR 27 -10.513 4.542 -3.145
354 HG23 THR 27 HG23 THR 27 -10.420 4.660 -1.383
355 HA PRO 28 HA PRO 28 -5.130 7.500 -5.253
356 HB2 PRO 28 HB2 PRO 28 -6.265 9.986 -5.407
357 HB3 PRO 28 HB3 PRO 28 -6.623 8.691 -6.576
358 HG2 PRO 28 HG2 PRO 28 -8.226 9.443 -4.102
359 HG3 PRO 28 HG3 PRO 28 -8.816 9.263 -5.786
360 HD2 PRO 28 HD2 PRO 28 -9.023 7.238 -4.014
361 HD3 PRO 28 HD3 PRO 28 -8.587 6.909 -5.711
362 H LYS 29 H LYS 29 -4.145 9.719 -4.463
363 HA LYS 29 HA LYS 29 -3.182 9.424 -1.845
364 HB2 LYS 29 HB2 LYS 29 -3.358 12.015 -3.448
365 HB3 LYS 29 HB3 LYS 29 -2.220 11.650 -2.144
366 HG2 LYS 29 HG2 LYS 29 -1.336 9.750 -3.608
367 HG3 LYS 29 HG3 LYS 29 -2.303 10.417 -4.931
368 HD2 LYS 29 HD2 LYS 29 -0.105 11.887 -3.407
369 HD3 LYS 29 HD3 LYS 29 0.061 11.136 -5.003
370 HE2 LYS 29 HE2 LYS 29 -1.720 12.651 -5.891
371 HE3 LYS 29 HE3 LYS 29 -1.843 13.420 -4.302
372 HZ1 LYS 29 HZ1 LYS 29 0.585 13.423 -6.011
373 HZ2 LYS 29 HZ2 LYS 29 0.473 14.119 -4.531
374 HZ3 LYS 29 HZ3 LYS 29 -0.413 14.692 -5.776
375 H THR 30 H THR 30 -5.978 11.244 -2.928
376 HA THR 30 HA THR 30 -6.533 12.571 -0.359
377 HB THR 30 HB THR 30 -8.520 13.422 -1.698
378 HG1 THR 30 HG1 THR 30 -8.528 12.936 -3.884
379 HG21 THR 30 HG21 THR 30 -6.398 14.711 -1.561
380 HG22 THR 30 HG22 THR 30 -7.203 14.917 -3.123
381 HG23 THR 30 HG23 THR 30 -5.792 13.857 -2.997
382 H LYS 31 H LYS 31 -7.209 9.530 -1.624
383 HA LYS 31 HA LYS 31 -8.456 7.785 -1.015
384 HB2 LYS 31 HB2 LYS 31 -8.036 8.666 1.319
385 HB3 LYS 31 HB3 LYS 31 -9.637 9.416 1.266
386 HG2 LYS 31 HG2 LYS 31 -10.685 7.201 0.961
387 HG3 LYS 31 HG3 LYS 31 -9.082 6.436 0.925
388 HD2 LYS 31 HD2 LYS 31 -8.648 7.248 3.228
389 HD3 LYS 31 HD3 LYS 31 -10.244 7.990 3.287
390 HE2 LYS 31 HE2 LYS 31 -9.720 4.998 2.853
391 HE3 LYS 31 HE3 LYS 31 -10.032 5.731 4.429
392 HZ1 LYS 31 HZ1 LYS 31 -11.933 5.720 2.152
393 HZ2 LYS 31 HZ2 LYS 31 -12.212 6.443 3.596
394 HZ3 LYS 31 HZ3 LYS 31 -12.053 4.819 3.507
395 H ARG 32 H ARG 32 -10.198 10.810 -1.374
396 HA ARG 32 HA ARG 32 -12.317 9.569 -2.993
397 HB2 ARG 32 HB2 ARG 32 -14.155 10.421 -1.645
398 HB3 ARG 32 HB3 ARG 32 -13.221 9.213 -0.765
399 HG2 ARG 32 HG2 ARG 32 -12.093 10.980 0.537
400 HG3 ARG 32 HG3 ARG 32 -12.985 12.234 -0.336
401 HD2 ARG 32 HD2 ARG 32 -14.273 10.050 1.347
402 HD3 ARG 32 HD3 ARG 32 -13.896 11.678 1.929
403 HE ARG 32 HE ARG 32 -15.439 11.958 -0.425
404 HH11 ARG 32 HH21 ARG 32 -15.944 10.835 2.841
405 HH12 ARG 32 HH22 ARG 32 -17.643 11.235 2.814
406 HH21 ARG 32 HH11 ARG 32 -17.602 12.481 -0.388
407 HH22 ARG 32 HH12 ARG 32 -18.546 12.143 1.036
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 -4.167 7.374 -0.464
2 H2 GLY 1 2H GLY 1 -5.720 6.860 -0.250
3 H3 GLY 1 3H GLY 1 -4.827 6.291 -1.496
4 HA2 GLY 1 HA2 GLY 1 -4.273 5.828 1.359
5 HA3 GLY 1 HA3 GLY 1 -4.965 4.626 0.263
6 H ILE 2 H ILE 2 -3.508 4.248 -1.818
7 HA ILE 2 HA ILE 2 -0.828 3.599 -0.692
8 HB ILE 2 HB ILE 2 -2.278 1.805 -1.500
9 HG12 ILE 2 HG12 ILE 2 0.338 2.126 -3.004
10 HG13 ILE 2 HG13 ILE 2 0.116 1.530 -1.360
11 HG21 ILE 2 HG21 ILE 2 -2.665 1.425 -3.913
12 HG22 ILE 2 HG22 ILE 2 -3.475 2.850 -3.315
13 HG23 ILE 2 HG23 ILE 2 -1.998 3.029 -4.269
14 HD11 ILE 2 HD11 ILE 2 0.434 -0.381 -2.707
15 HD12 ILE 2 HD12 ILE 2 -1.309 -0.345 -2.371
16 HD13 ILE 2 HD13 ILE 2 -0.698 0.184 -3.952
17 H VAL 3 H VAL 3 -2.126 5.584 -3.311
18 HA VAL 3 HA VAL 3 0.259 5.678 -4.904
19 HB VAL 3 HB VAL 3 -2.074 7.594 -4.645
20 HG11 VAL 3 HG11 VAL 3 -0.195 8.981 -5.470
21 HG12 VAL 3 HG12 VAL 3 0.140 7.768 -6.730
22 HG13 VAL 3 HG13 VAL 3 -1.373 8.689 -6.742
23 HG21 VAL 3 HG21 VAL 3 -2.495 5.352 -5.675
24 HG22 VAL 3 HG22 VAL 3 -2.727 6.685 -6.817
25 HG23 VAL 3 HG23 VAL 3 -1.250 5.716 -6.904
26 H GLU 4 H GLU 4 -0.819 7.697 -2.153
27 HA GLU 4 HA GLU 4 1.358 9.550 -2.268
28 HB2 GLU 4 HB2 GLU 4 0.651 10.226 -0.034
29 HB3 GLU 4 HB3 GLU 4 -0.673 10.182 -1.177
30 HG2 GLU 4 HG2 GLU 4 -0.244 7.747 0.559
31 HG3 GLU 4 HG3 GLU 4 -0.858 9.214 1.306
32 H GLN 5 H GLN 5 1.504 6.267 -1.466
33 HA GLN 5 HA GLN 5 4.079 6.676 0.011
34 HB2 GLN 5 HB2 GLN 5 2.538 5.261 1.249
35 HB3 GLN 5 HB3 GLN 5 2.205 4.283 -0.174
36 HG2 GLN 5 HG2 GLN 5 3.691 3.097 1.344
37 HG3 GLN 5 HG3 GLN 5 4.512 3.412 -0.172
38 HE21 GLN 5 HE22 GLN 5 6.186 5.199 -0.187
39 HE22 GLN 5 HE21 GLN 5 6.977 5.567 1.342
40 H CYS 6 HN CYS 6 2.569 4.600 -2.550
41 HA CYS 6 HA CYS 6 5.173 3.692 -3.449
42 HB2 CYS 6 HB2 CYS 6 2.307 3.311 -4.345
43 HB3 CYS 6 HB3 CYS 6 3.642 2.708 -5.316
44 H CYS 7 HN CYS 7 3.160 6.352 -4.601
45 HA CYS 7 HA CYS 7 4.838 6.558 -7.062
46 HB2 CYS 7 HB2 CYS 7 2.345 6.730 -7.161
47 HB3 CYS 7 HB3 CYS 7 2.446 8.214 -6.219
48 H THR 8 H THR 8 3.988 8.492 -4.158
49 HA THR 8 HA THR 8 5.692 10.713 -4.620
50 HB THR 8 HB THR 8 4.888 9.507 -1.944
51 HG1 THR 8 HG1 THR 8 3.107 10.818 -2.145
52 HG21 THR 8 HG21 THR 8 6.524 11.332 -1.674
53 HG22 THR 8 HG22 THR 8 4.919 11.898 -1.199
54 HG23 THR 8 HG23 THR 8 5.588 12.366 -2.772
55 H SER 9 H SER 9 6.396 7.557 -3.097
56 HA SER 9 HA SER 9 9.304 8.158 -3.263
57 HB2 SER 9 HB2 SER 9 8.416 8.665 -0.954
58 HB3 SER 9 HB3 SER 9 8.006 6.943 -0.804
59 HG SER 9 HG SER 9 10.112 7.553 0.063
60 H ILE 10 H ILE 10 10.239 5.868 -2.230
61 HA ILE 10 HA ILE 10 9.573 3.841 -4.298
62 HB ILE 10 HB ILE 10 11.763 4.146 -2.214
63 HG12 ILE 10 HG12 ILE 10 11.746 4.004 -5.269
64 HG13 ILE 10 HG13 ILE 10 11.926 5.460 -4.294
65 HG21 ILE 10 HG21 ILE 10 11.280 1.706 -3.959
66 HG22 ILE 10 HG22 ILE 10 12.758 2.023 -3.029
67 HG23 ILE 10 HG23 ILE 10 11.246 1.769 -2.188
68 HD11 ILE 10 HD11 ILE 10 13.936 3.199 -4.556
69 HD12 ILE 10 HD12 ILE 10 14.088 4.870 -5.103
70 HD13 ILE 10 HD13 ILE 10 14.067 4.521 -3.359
71 H CYS 11 HN CYS 11 8.536 1.911 -3.950
72 HA CYS 11 HA CYS 11 8.092 1.045 -1.158
73 HB2 CYS 11 HB2 CYS 11 5.791 0.688 -1.342
74 HB3 CYS 11 HB3 CYS 11 6.055 2.300 -1.978
75 H SER 12 H SER 12 7.549 -1.173 -0.890
76 HA SER 12 HA SER 12 9.030 -2.891 -2.818
77 HB2 SER 12 HB2 SER 12 8.233 -3.636 -0.003
78 HB3 SER 12 HB3 SER 12 9.600 -4.205 -0.963
79 HG SER 12 HG SER 12 10.383 -1.921 -0.728
80 H LEU 13 H LEU 13 8.323 -5.161 -3.055
81 HA LEU 13 HA LEU 13 5.578 -5.549 -3.694
82 HB2 LEU 13 HB2 LEU 13 7.669 -7.608 -2.877
83 HB3 LEU 13 HB3 LEU 13 6.147 -7.949 -3.697
84 HG LEU 13 HG LEU 13 8.573 -6.499 -4.813
85 HD11 LEU 13 HD11 LEU 13 8.585 -8.379 -6.403
86 HD12 LEU 13 HD12 LEU 13 7.131 -9.056 -5.650
87 HD13 LEU 13 HD13 LEU 13 8.650 -8.973 -4.731
88 HD21 LEU 13 HD21 LEU 13 6.665 -5.300 -5.734
89 HD22 LEU 13 HD22 LEU 13 5.835 -6.833 -6.110
90 HD23 LEU 13 HD23 LEU 13 7.307 -6.376 -6.977
91 H TYR 14 H TYR 14 7.249 -5.986 -0.588
92 HA TYR 14 HA TYR 14 5.165 -7.310 0.830
93 HB2 TYR 14 HB2 TYR 14 7.483 -7.085 1.621
94 HB3 TYR 14 HB3 TYR 14 7.296 -5.343 1.754
95 HD1 TYR 14 HD1 TYR 14 5.989 -8.595 3.088
96 HD2 TYR 14 HD2 TYR 14 6.462 -4.358 3.760
97 HE1 TYR 14 HE1 TYR 14 5.139 -8.864 5.416
98 HE2 TYR 14 HE2 TYR 14 5.627 -4.629 6.083
99 HH TYR 14 HH TYR 14 4.838 -6.093 7.674
100 H GLN 15 H GLN 15 5.461 -3.932 -0.126
101 HA GLN 15 HA GLN 15 3.283 -3.006 1.678
102 HB2 GLN 15 HB2 GLN 15 4.667 -1.566 -0.631
103 HB3 GLN 15 HB3 GLN 15 3.571 -0.849 0.527
104 HG2 GLN 15 HG2 GLN 15 6.328 -1.998 1.157
105 HG3 GLN 15 HG3 GLN 15 5.912 -0.300 1.058
106 HE21 GLN 15 HE21 GLN 15 7.144 -1.343 3.370
107 HE22 GLN 15 HE22 GLN 15 5.966 -1.284 4.673
108 H LEU 16 H LEU 16 3.736 -3.891 -1.767
109 HA LEU 16 HA LEU 16 0.999 -3.394 -2.541
110 HB2 LEU 16 HB2 LEU 16 3.013 -5.411 -3.626
111 HB3 LEU 16 HB3 LEU 16 1.524 -4.927 -4.414
112 HG LEU 16 HG LEU 16 3.924 -3.118 -3.847
113 HD11 LEU 16 HD11 LEU 16 2.856 -4.314 -6.436
114 HD12 LEU 16 HD12 LEU 16 4.351 -4.773 -5.598
115 HD13 LEU 16 HD13 LEU 16 4.204 -3.164 -6.304
116 HD21 LEU 16 HD21 LEU 16 2.781 -1.473 -5.310
117 HD22 LEU 16 HD22 LEU 16 1.879 -1.765 -3.824
118 HD23 LEU 16 HD23 LEU 16 1.340 -2.508 -5.350
119 H GLU 17 H GLU 17 2.599 -6.342 -1.305
120 HA GLU 17 HA GLU 17 0.350 -8.046 -1.167
121 HB2 GLU 17 HB2 GLU 17 2.896 -7.897 0.478
122 HB3 GLU 17 HB3 GLU 17 1.661 -9.123 0.761
123 HG2 GLU 17 HG2 GLU 17 1.835 -9.828 -1.641
124 HG3 GLU 17 HG3 GLU 17 3.197 -8.728 -1.832
125 H ASN 18 H ASN 18 1.089 -5.320 0.946
126 HA ASN 18 HA ASN 18 -0.688 -6.161 3.092
127 HB2 ASN 18 HB2 ASN 18 1.279 -4.747 3.483
128 HB3 ASN 18 HB3 ASN 18 0.593 -3.485 2.466
129 HD21 ASN 18 HD21 ASN 18 -0.873 -2.013 3.390
130 HD22 ASN 18 HD22 ASN 18 -1.458 -2.169 5.037
131 H TYR 19 H TYR 19 -1.055 -4.292 0.101
132 HA TYR 19 HA TYR 19 -3.797 -3.413 0.793
133 HB2 TYR 19 HB2 TYR 19 -1.838 -2.821 -1.420
134 HB3 TYR 19 HB3 TYR 19 -3.546 -2.538 -1.688
135 HD1 TYR 19 HD1 TYR 19 -4.817 -0.870 -0.454
136 HD2 TYR 19 HD2 TYR 19 -0.619 -1.455 0.302
137 HE1 TYR 19 HE1 TYR 19 -4.748 1.282 0.780
138 HE2 TYR 19 HE2 TYR 19 -0.534 0.701 1.542
139 HH TYR 19 HH TYR 19 -1.731 2.536 2.278
140 H CYS 20 HN CYS 20 -2.544 -6.303 -0.263
141 HA CYS 20 HA CYS 20 -4.737 -7.110 -2.028
142 HB2 CYS 20 HB2 CYS 20 -2.881 -8.803 -0.355
143 HB3 CYS 20 HB3 CYS 20 -3.896 -9.368 -1.679
144 H ASN 21 H ASN 21 -6.685 -7.928 -1.445
145 HA ASN 21 HA ASN 21 -7.579 -9.021 0.989
146 HB2 ASN 21 HB2 ASN 21 -8.902 -7.041 1.862
147 HB3 ASN 21 HB3 ASN 21 -7.178 -7.003 2.180
148 HD21 ASN 21 HD21 ASN 21 -8.794 -6.073 -0.882
149 HD22 ASN 21 HD22 ASN 21 -8.315 -4.367 -0.758
150 H1 PHE 1 H1 PHE 1 16.188 -8.030 -4.185
151 H2 PHE 1 H2 PHE 1 15.114 -7.002 -3.497
152 H3 PHE 1 H3 PHE 1 16.134 -6.466 -4.660
153 HA PHE 1 HA PHE 1 15.130 -7.869 -6.301
154 HB2 PHE 1 HB2 PHE 1 14.434 -9.595 -4.602
155 HB3 PHE 1 HB3 PHE 1 13.095 -8.549 -4.156
156 HD1 PHE 1 HD2 PHE 1 14.586 -9.671 -7.478
157 HD2 PHE 1 HD1 PHE 1 11.092 -9.515 -4.941
158 HE1 PHE 1 HE2 PHE 1 13.233 -10.706 -9.273
159 HE2 PHE 1 HE1 PHE 1 9.752 -10.571 -6.748
160 HZ PHE 1 HZ PHE 1 10.811 -11.152 -8.918
161 H VAL 2 H VAL 2 12.206 -7.436 -6.545
162 HA VAL 2 HA VAL 2 12.342 -4.819 -7.587
163 HB VAL 2 HB VAL 2 9.882 -6.493 -7.004
164 HG11 VAL 2 HG11 VAL 2 8.770 -5.088 -8.749
165 HG12 VAL 2 HG12 VAL 2 9.174 -4.163 -7.299
166 HG13 VAL 2 HG13 VAL 2 10.179 -4.012 -8.753
167 HG21 VAL 2 HG21 VAL 2 11.442 -7.592 -8.578
168 HG22 VAL 2 HG22 VAL 2 10.000 -7.033 -9.432
169 HG23 VAL 2 HG23 VAL 2 11.512 -6.108 -9.554
170 H ASN 3 H ASN 3 12.210 -2.924 -6.731
171 HA ASN 3 HA ASN 3 10.494 -2.077 -4.550
172 HB2 ASN 3 HB2 ASN 3 12.234 -3.310 -3.274
173 HB3 ASN 3 HB3 ASN 3 13.497 -2.400 -4.092
174 HD21 ASN 3 HD21 ASN 3 14.340 -0.825 -2.756
175 HD22 ASN 3 HD22 ASN 3 13.406 0.059 -1.564
176 H GLN 4 H GLN 4 9.839 -0.213 -5.598
177 HA GLN 4 HA GLN 4 11.685 1.874 -6.445
178 HB2 GLN 4 HB2 GLN 4 10.881 -0.238 -8.352
179 HB3 GLN 4 HB3 GLN 4 10.347 1.323 -8.904
180 HG2 GLN 4 HG2 GLN 4 13.216 0.616 -8.182
181 HG3 GLN 4 HG3 GLN 4 12.551 0.715 -9.800
182 HE21 GLN 4 HE21 GLN 4 14.772 2.236 -9.343
183 HE22 GLN 4 HE22 GLN 4 14.312 3.927 -9.208
184 H HIS 5 H HIS 5 10.315 3.497 -7.946
185 HA HIS 5 HA HIS 5 7.823 4.195 -6.558
186 HB2 HIS 5 HB2 HIS 5 9.242 5.308 -9.017
187 HB3 HIS 5 HB3 HIS 5 7.713 5.923 -8.417
188 HD1 HIS 5 HD1 HIS 5 7.876 7.852 -6.706
189 HD2 HIS 5 HD2 HIS 5 11.423 5.651 -7.223
190 HE1 HIS 5 HE1 HIS 5 9.701 9.139 -5.483
191 H LEU 6 H LEU 6 5.795 3.810 -7.266
192 HA LEU 6 HA LEU 6 5.183 2.761 -9.975
193 HB2 LEU 6 HB2 LEU 6 4.424 1.533 -7.293
194 HB3 LEU 6 HB3 LEU 6 3.533 1.180 -8.777
195 HG LEU 6 HG LEU 6 6.501 0.593 -8.428
196 HD11 LEU 6 HD11 LEU 6 5.239 -0.675 -6.781
197 HD12 LEU 6 HD12 LEU 6 5.770 -1.764 -8.072
198 HD13 LEU 6 HD13 LEU 6 4.081 -1.200 -8.021
199 HD21 LEU 6 HD21 LEU 6 4.446 -0.367 -10.473
200 HD22 LEU 6 HD22 LEU 6 6.132 -0.916 -10.367
201 HD23 LEU 6 HD23 LEU 6 5.779 0.758 -10.800
202 H CYS 7 HN CYS 7 3.553 3.942 -10.824
203 HA CYS 7 HA CYS 7 1.802 5.561 -9.016
204 HB2 CYS 7 HB2 CYS 7 3.162 6.205 -11.659
205 HB3 CYS 7 HB3 CYS 7 1.996 7.245 -10.870
206 H GLY 8 H GLY 8 -0.330 5.756 -9.518
207 HA2 GLY 8 HA2 GLY 8 -2.397 5.352 -10.471
208 HA3 GLY 8 HA3 GLY 8 -1.552 5.856 -11.929
209 H SER 9 H SER 9 -1.976 4.573 -13.577
210 HA SER 9 HA SER 9 -3.112 2.031 -13.566
211 HB2 SER 9 HB2 SER 9 -1.244 3.176 -15.675
212 HB3 SER 9 HB3 SER 9 -2.490 1.928 -15.905
213 HG SER 9 HG SER 9 -3.211 4.025 -16.558
214 H HIS 10 H HIS 10 0.416 2.801 -13.445
215 HA HIS 10 HA HIS 10 1.178 -0.013 -13.787
216 HB2 HIS 10 HB2 HIS 10 2.703 2.504 -13.053
217 HB3 HIS 10 HB3 HIS 10 3.428 0.908 -13.131
218 HD1 HIS 10 HD1 HIS 10 2.602 -0.346 -15.762
219 HD2 HIS 10 HD2 HIS 10 3.172 3.805 -15.263
220 HE1 HIS 10 HE1 HIS 10 3.027 0.608 -18.081
221 H LEU 11 H LEU 11 0.468 2.107 -11.034
222 HA LEU 11 HA LEU 11 1.376 0.187 -9.047
223 HB2 LEU 11 HB2 LEU 11 1.160 2.613 -8.606
224 HB3 LEU 11 HB3 LEU 11 -0.584 2.518 -8.811
225 HG LEU 11 HG LEU 11 -0.794 1.114 -6.824
226 HD11 LEU 11 HD11 LEU 11 2.243 1.285 -6.616
227 HD12 LEU 11 HD12 LEU 11 1.286 -0.193 -6.873
228 HD13 LEU 11 HD13 LEU 11 1.172 0.678 -5.341
229 HD21 LEU 11 HD21 LEU 11 0.958 3.584 -6.434
230 HD22 LEU 11 HD22 LEU 11 0.043 2.790 -5.145
231 HD23 LEU 11 HD23 LEU 11 -0.817 3.516 -6.500
232 H VAL 12 H VAL 12 -1.791 0.917 -10.516
233 HA VAL 12 HA VAL 12 -3.292 -1.174 -9.228
234 HB VAL 12 HB VAL 12 -3.665 0.183 -11.923
235 HG11 VAL 12 HG11 VAL 12 -5.572 -1.736 -10.505
236 HG12 VAL 12 HG12 VAL 12 -6.006 -0.698 -11.881
237 HG13 VAL 12 HG13 VAL 12 -4.814 -1.980 -12.095
238 HG21 VAL 12 HG21 VAL 12 -5.466 1.383 -10.777
239 HG22 VAL 12 HG22 VAL 12 -5.164 0.463 -9.288
240 HG23 VAL 12 HG23 VAL 12 -3.953 1.610 -9.894
241 H GLU 13 H GLU 13 -1.411 -1.196 -12.306
242 HA GLU 13 HA GLU 13 -1.777 -3.874 -13.051
243 HB2 GLU 13 HB2 GLU 13 -0.796 -2.174 -14.463
244 HB3 GLU 13 HB3 GLU 13 0.583 -2.019 -13.369
245 HG2 GLU 13 HG2 GLU 13 1.360 -4.254 -13.939
246 HG3 GLU 13 HG3 GLU 13 -0.076 -4.516 -14.943
247 H ALA 14 H ALA 14 0.785 -2.489 -10.937
248 HA ALA 14 HA ALA 14 2.077 -4.982 -10.383
249 HB1 ALA 14 HB1 ALA 14 3.245 -3.701 -8.665
250 HB2 ALA 14 HB2 ALA 14 3.123 -2.741 -10.145
251 HB3 ALA 14 HB3 ALA 14 2.047 -2.390 -8.774
252 H LEU 15 H LEU 15 -0.487 -3.192 -8.591
253 HA LEU 15 HA LEU 15 -0.758 -5.031 -6.425
254 HB2 LEU 15 HB2 LEU 15 -2.704 -3.150 -7.813
255 HB3 LEU 15 HB3 LEU 15 -3.204 -4.166 -6.473
256 HG LEU 15 HG LEU 15 -0.913 -2.165 -6.260
257 HD11 LEU 15 HD11 LEU 15 -3.837 -1.846 -5.449
258 HD12 LEU 15 HD12 LEU 15 -3.038 -1.007 -6.791
259 HD13 LEU 15 HD13 LEU 15 -2.534 -0.688 -5.128
260 HD21 LEU 15 HD21 LEU 15 -0.847 -3.964 -4.546
261 HD22 LEU 15 HD22 LEU 15 -2.546 -3.639 -4.135
262 HD23 LEU 15 HD23 LEU 15 -1.299 -2.418 -3.824
263 H TYR 16 H TYR 16 -2.500 -5.087 -9.631
264 HA TYR 16 HA TYR 16 -3.868 -7.483 -8.805
265 HB2 TYR 16 HB2 TYR 16 -4.963 -7.540 -10.757
266 HB3 TYR 16 HB3 TYR 16 -4.569 -5.843 -10.643
267 HD1 TYR 16 HD2 TYR 16 -3.358 -9.069 -12.202
268 HD2 TYR 16 HD1 TYR 16 -3.792 -4.805 -12.591
269 HE1 TYR 16 HE2 TYR 16 -2.483 -9.204 -14.517
270 HE2 TYR 16 HE1 TYR 16 -2.930 -4.929 -14.922
271 HH TYR 16 HH TYR 16 -1.932 -8.037 -16.423
272 H LEU 17 H LEU 17 -0.795 -7.040 -10.537
273 HA LEU 17 HA LEU 17 -0.363 -9.839 -11.075
274 HB2 LEU 17 HB2 LEU 17 1.509 -7.452 -10.822
275 HB3 LEU 17 HB3 LEU 17 2.071 -9.059 -11.283
276 HG LEU 17 HG LEU 17 -0.046 -7.514 -12.848
277 HD11 LEU 17 HD11 LEU 17 2.942 -7.808 -13.395
278 HD12 LEU 17 HD12 LEU 17 2.130 -6.330 -12.847
279 HD13 LEU 17 HD13 LEU 17 1.756 -7.003 -14.442
280 HD21 LEU 17 HD21 LEU 17 -0.170 -9.942 -13.245
281 HD22 LEU 17 HD22 LEU 17 1.575 -10.008 -13.545
282 HD23 LEU 17 HD23 LEU 17 0.504 -9.127 -14.655
283 H VAL 18 H VAL 18 0.636 -7.805 -8.284
284 HA VAL 18 HA VAL 18 2.013 -9.963 -6.945
285 HB VAL 18 HB VAL 18 0.974 -7.279 -5.979
286 HG11 VAL 18 HG11 VAL 18 2.281 -7.637 -3.895
287 HG12 VAL 18 HG12 VAL 18 0.874 -8.690 -3.984
288 HG13 VAL 18 HG13 VAL 18 2.498 -9.340 -4.330
289 HG21 VAL 18 HG21 VAL 18 3.779 -8.450 -6.360
290 HG22 VAL 18 HG22 VAL 18 2.991 -7.325 -7.476
291 HG23 VAL 18 HG23 VAL 18 3.398 -6.803 -5.831
292 H CYS 19 HN CYS 19 -1.327 -8.640 -6.525
293 HA CYS 19 HA CYS 19 -1.883 -10.436 -4.324
294 HB2 CYS 19 HB2 CYS 19 -3.754 -8.719 -5.999
295 HB3 CYS 19 HB3 CYS 19 -4.133 -9.483 -4.457
296 H GLY 20 H GLY 20 -2.711 -10.559 -7.810
297 HA2 GLY 20 HA2 GLY 20 -3.667 -12.240 -9.086
298 HA3 GLY 20 HA3 GLY 20 -2.986 -13.367 -7.898
299 H GLU 21 H GLU 21 -4.449 -14.713 -7.163
300 HA GLU 21 HA GLU 21 -7.294 -14.327 -7.286
301 HB2 GLU 21 HB2 GLU 21 -7.410 -16.482 -6.161
302 HB3 GLU 21 HB3 GLU 21 -6.333 -16.515 -7.545
303 HG2 GLU 21 HG2 GLU 21 -5.119 -16.074 -4.805
304 HG3 GLU 21 HG3 GLU 21 -5.731 -17.668 -5.213
305 H ARG 22 H ARG 22 -5.047 -13.294 -4.855
306 HA ARG 22 HA ARG 22 -6.756 -13.470 -2.539
307 HB2 ARG 22 HB2 ARG 22 -4.469 -11.549 -3.125
308 HB3 ARG 22 HB3 ARG 22 -5.251 -11.751 -1.565
309 HG2 ARG 22 HG2 ARG 22 -4.486 -14.057 -1.383
310 HG3 ARG 22 HG3 ARG 22 -3.825 -14.016 -3.024
311 HD2 ARG 22 HD2 ARG 22 -2.019 -13.769 -1.440
312 HD3 ARG 22 HD3 ARG 22 -2.223 -12.265 -2.354
313 HE ARG 22 HE ARG 22 -3.663 -12.337 0.202
314 HH11 ARG 22 HH11 ARG 22 -0.478 -11.604 -1.176
315 HH12 ARG 22 HH12 ARG 22 -0.111 -10.469 0.085
316 HH21 ARG 22 HH21 ARG 22 -3.093 -10.828 1.786
317 HH22 ARG 22 HH22 ARG 22 -1.600 -9.945 1.641
318 H GLY 23 H GLY 23 -6.683 -11.201 -5.210
319 HA2 GLY 23 HA2 GLY 23 -8.029 -9.362 -5.725
320 HA3 GLY 23 HA3 GLY 23 -8.925 -9.588 -4.208
321 H PHE 24 H PHE 24 -8.324 -7.060 -4.995
322 HA PHE 24 HA PHE 24 -6.605 -6.081 -2.831
323 HB2 PHE 24 HB2 PHE 24 -5.104 -4.879 -4.224
324 HB3 PHE 24 HB3 PHE 24 -5.169 -6.529 -4.830
325 HD1 PHE 24 HD2 PHE 24 -6.246 -7.098 -6.969
326 HD2 PHE 24 HD1 PHE 24 -5.872 -3.018 -5.631
327 HE1 PHE 24 HE2 PHE 24 -6.705 -6.300 -9.271
328 HE2 PHE 24 HE1 PHE 24 -6.313 -2.219 -7.944
329 HZ PHE 24 HZ PHE 24 -6.737 -3.858 -9.761
330 H PHE 25 H PHE 25 -6.659 -3.708 -2.619
331 HA PHE 25 HA PHE 25 -8.969 -2.381 -3.942
332 HB2 PHE 25 HB2 PHE 25 -9.696 -3.111 -1.682
333 HB3 PHE 25 HB3 PHE 25 -8.389 -2.173 -0.959
334 HD1 PHE 25 HD2 PHE 25 -11.647 -2.047 -2.720
335 HD2 PHE 25 HD1 PHE 25 -8.533 0.298 -0.880
336 HE1 PHE 25 HE2 PHE 25 -13.146 -0.076 -2.699
337 HE2 PHE 25 HE1 PHE 25 -10.041 2.269 -0.857
338 HZ PHE 25 HZ PHE 25 -12.348 2.084 -1.757
339 H TYR 26 H TYR 26 -7.875 -1.079 -5.264
340 HA TYR 26 HA TYR 26 -5.560 0.495 -4.486
341 HB2 TYR 26 HB2 TYR 26 -5.861 -0.176 -6.774
342 HB3 TYR 26 HB3 TYR 26 -7.468 0.532 -6.841
343 HD1 TYR 26 HD2 TYR 26 -3.830 1.388 -6.555
344 HD2 TYR 26 HD1 TYR 26 -7.807 2.806 -7.465
345 HE1 TYR 26 HE2 TYR 26 -2.878 3.466 -7.533
346 HE2 TYR 26 HE1 TYR 26 -6.854 4.884 -8.416
347 HH TYR 26 HH TYR 26 -4.941 6.032 -8.962
348 H THR 27 H THR 27 -5.473 2.724 -4.094
349 HA THR 27 HA THR 27 -7.855 4.363 -3.906
350 HB THR 27 HB THR 27 -8.375 3.566 -1.887
351 HG1 THR 27 HG1 THR 27 -7.874 5.156 -0.469
352 HG21 THR 27 HG21 THR 27 -6.662 1.982 -1.384
353 HG22 THR 27 HG22 THR 27 -6.728 3.108 -0.024
354 HG23 THR 27 HG23 THR 27 -5.427 3.242 -1.236
355 HA PRO 28 HA PRO 28 -4.317 6.778 -5.136
356 HB2 PRO 28 HB2 PRO 28 -5.554 8.879 -6.328
357 HB3 PRO 28 HB3 PRO 28 -5.652 7.230 -6.994
358 HG2 PRO 28 HG2 PRO 28 -7.671 8.606 -5.185
359 HG3 PRO 28 HG3 PRO 28 -7.975 7.785 -6.756
360 HD2 PRO 28 HD2 PRO 28 -8.301 6.528 -4.359
361 HD3 PRO 28 HD3 PRO 28 -7.689 5.656 -5.800
362 H LYS 29 H LYS 29 -3.604 9.188 -4.987
363 HA LYS 29 HA LYS 29 -3.452 10.032 -2.267
364 HB2 LYS 29 HB2 LYS 29 -1.733 10.353 -3.963
365 HB3 LYS 29 HB3 LYS 29 -2.798 11.387 -4.922
366 HG2 LYS 29 HG2 LYS 29 -2.774 13.100 -3.163
367 HG3 LYS 29 HG3 LYS 29 -1.784 12.069 -2.123
368 HD2 LYS 29 HD2 LYS 29 -0.939 13.111 -4.869
369 HD3 LYS 29 HD3 LYS 29 -0.523 13.875 -3.323
370 HE2 LYS 29 HE2 LYS 29 0.639 11.814 -2.598
371 HE3 LYS 29 HE3 LYS 29 0.271 11.040 -4.145
372 HZ1 LYS 29 HZ1 LYS 29 2.506 11.975 -4.105
373 HZ2 LYS 29 HZ2 LYS 29 1.932 13.482 -3.825
374 HZ3 LYS 29 HZ3 LYS 29 1.609 12.734 -5.248
375 H THR 30 H THR 30 -5.756 10.771 -4.775
376 HA THR 30 HA THR 30 -7.080 13.003 -3.378
377 HB THR 30 HB THR 30 -8.758 12.693 -5.266
378 HG1 THR 30 HG1 THR 30 -8.052 11.353 -6.961
379 HG21 THR 30 HG21 THR 30 -7.301 13.665 -6.969
380 HG22 THR 30 HG22 THR 30 -5.851 13.094 -6.115
381 HG23 THR 30 HG23 THR 30 -6.895 14.335 -5.383
382 H LYS 31 H LYS 31 -7.124 9.655 -3.045
383 HA LYS 31 HA LYS 31 -8.041 8.393 -1.462
384 HB2 LYS 31 HB2 LYS 31 -8.436 10.638 -0.270
385 HB3 LYS 31 HB3 LYS 31 -10.121 10.490 -0.797
386 HG2 LYS 31 HG2 LYS 31 -10.232 8.269 0.391
387 HG3 LYS 31 HG3 LYS 31 -8.587 8.541 0.981
388 HD2 LYS 31 HD2 LYS 31 -11.060 10.239 1.538
389 HD3 LYS 31 HD3 LYS 31 -10.315 9.113 2.666
390 HE2 LYS 31 HE2 LYS 31 -8.995 11.653 1.577
391 HE3 LYS 31 HE3 LYS 31 -9.810 11.514 3.134
392 HZ1 LYS 31 HZ1 LYS 31 -8.166 9.836 3.775
393 HZ2 LYS 31 HZ2 LYS 31 -7.439 11.250 3.397
394 HZ3 LYS 31 HZ3 LYS 31 -7.381 10.003 2.344
395 H ARG 32 H ARG 32 -9.501 6.751 -1.373
396 HA ARG 32 HA ARG 32 -12.127 6.920 -2.689
397 HB2 ARG 32 HB2 ARG 32 -10.533 5.985 -4.388
398 HB3 ARG 32 HB3 ARG 32 -10.220 4.623 -3.285
399 HG2 ARG 32 HG2 ARG 32 -12.626 3.997 -3.400
400 HG3 ARG 32 HG3 ARG 32 -12.951 5.434 -4.383
401 HD2 ARG 32 HD2 ARG 32 -12.884 3.656 -5.908
402 HD3 ARG 32 HD3 ARG 32 -11.354 4.505 -6.113
403 HE ARG 32 HE ARG 32 -10.319 2.706 -4.658
404 HH11 ARG 32 HH21 ARG 32 -13.214 1.863 -6.465
405 HH12 ARG 32 HH22 ARG 32 -12.767 0.185 -6.532
406 HH21 ARG 32 HH12 ARG 32 -9.867 0.641 -4.730
407 HH22 ARG 32 HH11 ARG 32 -10.922 -0.511 -5.546
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 -4.566 5.390 2.695
2 H2 GLY 1 2H GLY 1 -3.035 5.182 2.147
3 H3 GLY 1 3H GLY 1 -3.912 3.882 2.674
4 HA2 GLY 1 HA2 GLY 1 -5.491 4.195 0.846
5 HA3 GLY 1 HA3 GLY 1 -4.446 5.511 0.272
6 H ILE 2 H ILE 2 -2.683 5.032 -0.873
7 HA ILE 2 HA ILE 2 -0.925 2.957 -0.750
8 HB ILE 2 HB ILE 2 -2.538 1.295 -1.446
9 HG12 ILE 2 HG12 ILE 2 -0.440 1.831 -3.575
10 HG13 ILE 2 HG13 ILE 2 -0.204 1.021 -2.038
11 HG21 ILE 2 HG21 ILE 2 -3.709 1.231 -3.509
12 HG22 ILE 2 HG22 ILE 2 -4.046 2.822 -2.838
13 HG23 ILE 2 HG23 ILE 2 -2.865 2.640 -4.153
14 HD11 ILE 2 HD11 ILE 2 -1.905 -0.727 -2.814
15 HD12 ILE 2 HD12 ILE 2 -1.816 0.045 -4.413
16 HD13 ILE 2 HD13 ILE 2 -0.366 -0.678 -3.692
17 H VAL 3 H VAL 3 -2.578 4.818 -3.320
18 HA VAL 3 HA VAL 3 -0.286 5.009 -4.970
19 HB VAL 3 HB VAL 3 -2.414 7.158 -5.038
20 HG11 VAL 3 HG11 VAL 3 -0.827 5.739 -7.216
21 HG12 VAL 3 HG12 VAL 3 -2.047 6.998 -7.477
22 HG13 VAL 3 HG13 VAL 3 -0.555 7.388 -6.619
23 HG21 VAL 3 HG21 VAL 3 -3.795 5.696 -6.505
24 HG22 VAL 3 HG22 VAL 3 -2.759 4.318 -6.075
25 HG23 VAL 3 HG23 VAL 3 -3.745 5.126 -4.839
26 H GLU 4 H GLU 4 -1.399 7.089 -2.325
27 HA GLU 4 HA GLU 4 0.483 9.222 -2.745
28 HB2 GLU 4 HB2 GLU 4 -0.302 10.092 -0.729
29 HB3 GLU 4 HB3 GLU 4 -1.698 9.381 -1.526
30 HG2 GLU 4 HG2 GLU 4 -0.142 8.186 0.814
31 HG3 GLU 4 HG3 GLU 4 -1.663 9.067 0.923
32 H GLN 5 H GLN 5 1.061 6.034 -1.737
33 HA GLN 5 HA GLN 5 3.672 6.828 -0.488
34 HB2 GLN 5 HB2 GLN 5 2.313 5.271 0.887
35 HB3 GLN 5 HB3 GLN 5 2.210 4.142 -0.470
36 HG2 GLN 5 HG2 GLN 5 3.919 3.395 1.091
37 HG3 GLN 5 HG3 GLN 5 4.654 3.831 -0.442
38 HE21 GLN 5 HE21 GLN 5 6.731 4.604 0.093
39 HE22 GLN 5 HE22 GLN 5 6.997 5.812 1.343
40 H CYS 6 HN CYS 6 2.233 4.410 -2.769
41 HA CYS 6 HA CYS 6 4.730 3.621 -3.853
42 HB2 CYS 6 HB2 CYS 6 1.853 3.384 -4.774
43 HB3 CYS 6 HB3 CYS 6 3.182 2.709 -5.708
44 H CYS 7 HN CYS 7 2.629 6.250 -4.996
45 HA CYS 7 HA CYS 7 4.282 6.525 -7.470
46 HB2 CYS 7 HB2 CYS 7 1.797 6.541 -7.576
47 HB3 CYS 7 HB3 CYS 7 1.777 7.999 -6.590
48 H THR 8 H THR 8 3.234 8.536 -4.703
49 HA THR 8 HA THR 8 4.862 10.818 -5.312
50 HB THR 8 HB THR 8 3.670 9.931 -2.654
51 HG1 THR 8 HG1 THR 8 2.556 11.608 -4.659
52 HG21 THR 8 HG21 THR 8 4.408 12.702 -3.709
53 HG22 THR 8 HG22 THR 8 5.145 11.860 -2.332
54 HG23 THR 8 HG23 THR 8 3.460 12.383 -2.238
55 H SER 9 H SER 9 5.500 7.880 -3.444
56 HA SER 9 HA SER 9 8.378 8.622 -3.324
57 HB2 SER 9 HB2 SER 9 7.269 9.078 -1.109
58 HB3 SER 9 HB3 SER 9 6.841 7.365 -1.014
59 HG SER 9 HG SER 9 8.875 8.039 0.063
60 H ILE 10 H ILE 10 8.880 6.097 -1.939
61 HA ILE 10 HA ILE 10 8.621 4.188 -4.239
62 HB ILE 10 HB ILE 10 10.621 4.449 -1.957
63 HG12 ILE 10 HG12 ILE 10 10.920 4.700 -4.988
64 HG13 ILE 10 HG13 ILE 10 10.892 6.042 -3.843
65 HG21 ILE 10 HG21 ILE 10 10.555 2.300 -4.107
66 HG22 ILE 10 HG22 ILE 10 11.832 2.537 -2.893
67 HG23 ILE 10 HG23 ILE 10 10.238 2.044 -2.372
68 HD11 ILE 10 HD11 ILE 10 12.967 5.116 -2.768
69 HD12 ILE 10 HD12 ILE 10 13.071 3.949 -4.109
70 HD13 ILE 10 HD13 ILE 10 13.159 5.683 -4.442
71 H CYS 11 HN CYS 11 7.866 2.070 -3.895
72 HA CYS 11 HA CYS 11 7.233 1.264 -1.137
73 HB2 CYS 11 HB2 CYS 11 5.001 0.625 -1.518
74 HB3 CYS 11 HB3 CYS 11 5.158 2.272 -2.088
75 H SER 12 H SER 12 6.801 -1.036 -0.877
76 HA SER 12 HA SER 12 8.610 -2.626 -2.635
77 HB2 SER 12 HB2 SER 12 9.027 -3.964 -0.694
78 HB3 SER 12 HB3 SER 12 9.148 -2.260 -0.224
79 HG SER 12 HG SER 12 7.935 -3.352 1.312
80 H LEU 13 H LEU 13 8.192 -4.921 -2.965
81 HA LEU 13 HA LEU 13 5.523 -5.652 -3.718
82 HB2 LEU 13 HB2 LEU 13 7.865 -7.447 -2.957
83 HB3 LEU 13 HB3 LEU 13 6.427 -7.941 -3.852
84 HG LEU 13 HG LEU 13 8.580 -6.022 -4.821
85 HD11 LEU 13 HD11 LEU 13 9.128 -7.809 -6.408
86 HD12 LEU 13 HD12 LEU 13 7.857 -8.841 -5.711
87 HD13 LEU 13 HD13 LEU 13 9.276 -8.388 -4.742
88 HD21 LEU 13 HD21 LEU 13 6.089 -7.013 -6.265
89 HD22 LEU 13 HD22 LEU 13 7.440 -6.152 -7.032
90 HD23 LEU 13 HD23 LEU 13 6.471 -5.325 -5.815
91 H TYR 14 H TYR 14 7.248 -5.972 -0.627
92 HA TYR 14 HA TYR 14 5.289 -7.641 0.675
93 HB2 TYR 14 HB2 TYR 14 7.575 -7.382 1.511
94 HB3 TYR 14 HB3 TYR 14 7.320 -5.662 1.778
95 HD1 TYR 14 HD1 TYR 14 6.189 -9.059 2.832
96 HD2 TYR 14 HD2 TYR 14 6.340 -4.866 3.827
97 HE1 TYR 14 HE1 TYR 14 5.321 -9.573 5.107
98 HE2 TYR 14 HE2 TYR 14 5.485 -5.370 6.101
99 HH TYR 14 HH TYR 14 4.704 -8.720 7.146
100 H GLN 15 H GLN 15 5.554 -4.108 0.273
101 HA GLN 15 HA GLN 15 3.178 -3.510 1.868
102 HB2 GLN 15 HB2 GLN 15 4.761 -1.945 -0.187
103 HB3 GLN 15 HB3 GLN 15 3.308 -1.309 0.582
104 HG2 GLN 15 HG2 GLN 15 4.267 -1.462 2.787
105 HG3 GLN 15 HG3 GLN 15 5.690 -2.312 2.196
106 HE21 GLN 15 HE21 GLN 15 5.090 0.567 3.484
107 HE22 GLN 15 HE22 GLN 15 6.121 1.567 2.468
108 H LEU 16 H LEU 16 3.725 -4.076 -1.679
109 HA LEU 16 HA LEU 16 0.972 -3.762 -2.402
110 HB2 LEU 16 HB2 LEU 16 3.100 -5.570 -3.609
111 HB3 LEU 16 HB3 LEU 16 1.522 -5.275 -4.307
112 HG LEU 16 HG LEU 16 3.741 -3.219 -3.903
113 HD11 LEU 16 HD11 LEU 16 4.145 -4.793 -5.730
114 HD12 LEU 16 HD12 LEU 16 3.779 -3.193 -6.373
115 HD13 LEU 16 HD13 LEU 16 2.534 -4.460 -6.412
116 HD21 LEU 16 HD21 LEU 16 0.990 -2.821 -5.142
117 HD22 LEU 16 HD22 LEU 16 2.328 -1.651 -5.191
118 HD23 LEU 16 HD23 LEU 16 1.599 -2.063 -3.640
119 H GLU 17 H GLU 17 2.653 -6.709 -1.206
120 HA GLU 17 HA GLU 17 0.307 -8.329 -1.147
121 HB2 GLU 17 HB2 GLU 17 2.844 -8.497 0.512
122 HB3 GLU 17 HB3 GLU 17 1.493 -9.619 0.659
123 HG2 GLU 17 HG2 GLU 17 1.693 -9.900 -1.925
124 HG3 GLU 17 HG3 GLU 17 3.315 -9.230 -1.716
125 H ASN 18 H ASN 18 1.453 -5.952 1.280
126 HA ASN 18 HA ASN 18 -0.499 -6.627 3.280
127 HB2 ASN 18 HB2 ASN 18 1.557 -5.352 3.743
128 HB3 ASN 18 HB3 ASN 18 0.964 -4.027 2.744
129 HD21 ASN 18 HD21 ASN 18 -0.340 -2.463 3.711
130 HD22 ASN 18 HD22 ASN 18 -0.975 -2.621 5.339
131 H TYR 19 H TYR 19 -0.736 -4.823 0.289
132 HA TYR 19 HA TYR 19 -3.442 -3.785 0.934
133 HB2 TYR 19 HB2 TYR 19 -1.671 -3.412 -1.501
134 HB3 TYR 19 HB3 TYR 19 -3.262 -2.698 -1.292
135 HD1 TYR 19 HD1 TYR 19 -3.539 -1.479 1.170
136 HD2 TYR 19 HD2 TYR 19 0.083 -1.877 -1.137
137 HE1 TYR 19 HE1 TYR 19 -2.576 0.472 2.352
138 HE2 TYR 19 HE2 TYR 19 1.055 0.081 0.046
139 HH TYR 19 HH TYR 19 -0.751 1.862 2.592
140 H CYS 20 HN CYS 20 -2.358 -6.786 -0.068
141 HA CYS 20 HA CYS 20 -4.513 -7.377 -1.948
142 HB2 CYS 20 HB2 CYS 20 -2.853 -9.247 -0.253
143 HB3 CYS 20 HB3 CYS 20 -3.933 -9.710 -1.569
144 H ASN 21 H ASN 21 -6.356 -8.603 -1.536
145 HA ASN 21 HA ASN 21 -7.744 -7.918 0.964
146 HB2 ASN 21 HB2 ASN 21 -8.803 -7.586 -1.264
147 HB3 ASN 21 HB3 ASN 21 -8.688 -9.318 -1.574
148 HD21 ASN 21 HD21 ASN 21 -10.068 -7.002 0.808
149 HD22 ASN 21 HD22 ASN 21 -11.498 -7.978 1.118
150 H1 PHE 1 H1 PHE 1 16.241 -3.952 -7.949
151 H2 PHE 1 H2 PHE 1 16.080 -3.262 -6.469
152 H3 PHE 1 H3 PHE 1 14.860 -3.169 -7.559
153 HA PHE 1 HA PHE 1 14.478 -5.513 -7.483
154 HB2 PHE 1 HB2 PHE 1 16.681 -5.554 -5.376
155 HB3 PHE 1 HB3 PHE 1 15.647 -6.905 -5.806
156 HD1 PHE 1 HD2 PHE 1 15.685 -7.743 -8.270
157 HD2 PHE 1 HD1 PHE 1 18.728 -5.207 -6.547
158 HE1 PHE 1 HE2 PHE 1 17.263 -8.397 -10.075
159 HE2 PHE 1 HE1 PHE 1 20.297 -5.859 -8.356
160 HZ PHE 1 HZ PHE 1 19.568 -7.457 -10.119
161 H VAL 2 H VAL 2 12.579 -5.808 -6.469
162 HA VAL 2 HA VAL 2 10.951 -5.976 -4.976
163 HB VAL 2 HB VAL 2 12.890 -5.185 -2.752
164 HG11 VAL 2 HG11 VAL 2 10.528 -5.038 -2.056
165 HG12 VAL 2 HG12 VAL 2 10.222 -6.667 -2.701
166 HG13 VAL 2 HG13 VAL 2 11.309 -6.432 -1.315
167 HG21 VAL 2 HG21 VAL 2 13.079 -7.645 -2.380
168 HG22 VAL 2 HG22 VAL 2 12.151 -7.931 -3.872
169 HG23 VAL 2 HG23 VAL 2 13.749 -7.162 -3.942
170 H ASN 3 H ASN 3 12.814 -3.007 -4.199
171 HA ASN 3 HA ASN 3 10.300 -1.513 -3.683
172 HB2 ASN 3 HB2 ASN 3 13.223 -1.058 -3.039
173 HB3 ASN 3 HB3 ASN 3 12.042 0.236 -2.946
174 HD21 ASN 3 HD21 ASN 3 11.556 0.587 -0.806
175 HD22 ASN 3 HD22 ASN 3 11.183 -0.692 0.332
176 H GLN 4 H GLN 4 9.524 0.055 -5.014
177 HA GLN 4 HA GLN 4 11.151 1.417 -7.025
178 HB2 GLN 4 HB2 GLN 4 9.539 -0.985 -7.714
179 HB3 GLN 4 HB3 GLN 4 9.047 0.400 -8.639
180 HG2 GLN 4 HG2 GLN 4 11.908 -0.637 -8.511
181 HG3 GLN 4 HG3 GLN 4 10.742 -0.975 -9.777
182 HE21 GLN 4 HE22 GLN 4 12.690 -0.037 -11.075
183 HE22 GLN 4 HE21 GLN 4 12.645 1.702 -11.310
184 H HIS 5 H HIS 5 9.760 2.821 -8.446
185 HA HIS 5 HA HIS 5 7.526 4.111 -6.939
186 HB2 HIS 5 HB2 HIS 5 9.030 4.876 -9.490
187 HB3 HIS 5 HB3 HIS 5 7.676 5.773 -8.809
188 HD1 HIS 5 HD1 HIS 5 8.213 6.782 -6.185
189 HD2 HIS 5 HD2 HIS 5 11.379 5.702 -8.732
190 HE1 HIS 5 HE1 HIS 5 10.240 8.114 -5.412
191 H LEU 6 H LEU 6 5.437 3.847 -7.615
192 HA LEU 6 HA LEU 6 4.763 2.623 -10.252
193 HB2 LEU 6 HB2 LEU 6 4.018 1.592 -7.479
194 HB3 LEU 6 HB3 LEU 6 3.137 1.142 -8.931
195 HG LEU 6 HG LEU 6 6.089 0.542 -8.507
196 HD11 LEU 6 HD11 LEU 6 3.626 -1.206 -8.103
197 HD12 LEU 6 HD12 LEU 6 4.720 -0.608 -6.838
198 HD13 LEU 6 HD13 LEU 6 5.319 -1.764 -8.046
199 HD21 LEU 6 HD21 LEU 6 5.715 -1.073 -10.370
200 HD22 LEU 6 HD22 LEU 6 5.432 0.589 -10.905
201 HD23 LEU 6 HD23 LEU 6 4.055 -0.477 -10.556
202 H CYS 7 HN CYS 7 3.327 3.949 -11.164
203 HA CYS 7 HA CYS 7 1.379 5.492 -9.478
204 HB2 CYS 7 HB2 CYS 7 2.866 6.158 -12.047
205 HB3 CYS 7 HB3 CYS 7 1.579 7.137 -11.373
206 H GLY 8 H GLY 8 -0.717 5.222 -9.888
207 HA2 GLY 8 HA2 GLY 8 -2.726 4.825 -10.939
208 HA3 GLY 8 HA3 GLY 8 -1.896 5.357 -12.401
209 H SER 9 H SER 9 -2.090 4.004 -14.034
210 HA SER 9 HA SER 9 -3.142 1.373 -13.964
211 HB2 SER 9 HB2 SER 9 -2.200 1.262 -16.295
212 HB3 SER 9 HB3 SER 9 -3.224 2.670 -15.969
213 HG SER 9 HG SER 9 -1.285 3.238 -17.089
214 H HIS 10 H HIS 10 0.311 2.415 -14.067
215 HA HIS 10 HA HIS 10 1.480 -0.167 -14.209
216 HB2 HIS 10 HB2 HIS 10 2.611 2.232 -12.713
217 HB3 HIS 10 HB3 HIS 10 3.495 0.941 -13.509
218 HD1 HIS 10 HD1 HIS 10 1.817 4.263 -14.220
219 HD2 HIS 10 HD2 HIS 10 3.621 1.064 -16.271
220 HE1 HIS 10 HE1 HIS 10 2.257 5.091 -16.599
221 H LEU 11 H LEU 11 0.458 1.740 -11.368
222 HA LEU 11 HA LEU 11 1.370 -0.154 -9.377
223 HB2 LEU 11 HB2 LEU 11 0.989 2.234 -8.903
224 HB3 LEU 11 HB3 LEU 11 -0.710 2.080 -9.290
225 HG LEU 11 HG LEU 11 -1.105 0.639 -7.341
226 HD11 LEU 11 HD11 LEU 11 0.668 0.309 -5.648
227 HD12 LEU 11 HD12 LEU 11 1.870 0.983 -6.764
228 HD13 LEU 11 HD13 LEU 11 1.042 -0.543 -7.143
229 HD21 LEU 11 HD21 LEU 11 -0.792 2.401 -5.677
230 HD22 LEU 11 HD22 LEU 11 -1.105 3.188 -7.235
231 HD23 LEU 11 HD23 LEU 11 0.546 3.108 -6.605
232 H VAL 12 H VAL 12 -1.807 0.393 -10.933
233 HA VAL 12 HA VAL 12 -3.189 -1.679 -9.515
234 HB VAL 12 HB VAL 12 -3.731 -0.424 -12.226
235 HG11 VAL 12 HG11 VAL 12 -5.523 -2.325 -10.642
236 HG12 VAL 12 HG12 VAL 12 -6.047 -1.350 -12.034
237 HG13 VAL 12 HG13 VAL 12 -4.844 -2.617 -12.267
238 HG21 VAL 12 HG21 VAL 12 -5.507 0.783 -11.004
239 HG22 VAL 12 HG22 VAL 12 -5.103 -0.090 -9.515
240 HG23 VAL 12 HG23 VAL 12 -3.951 1.061 -10.220
241 H GLU 13 H GLU 13 -1.423 -1.782 -12.661
242 HA GLU 13 HA GLU 13 -1.829 -4.533 -13.247
243 HB2 GLU 13 HB2 GLU 13 0.444 -2.625 -13.871
244 HB3 GLU 13 HB3 GLU 13 0.420 -4.291 -14.446
245 HG2 GLU 13 HG2 GLU 13 -1.789 -2.277 -15.044
246 HG3 GLU 13 HG3 GLU 13 -0.405 -2.574 -16.092
247 H ALA 14 H ALA 14 0.846 -2.978 -11.380
248 HA ALA 14 HA ALA 14 2.219 -5.442 -10.829
249 HB1 ALA 14 HB1 ALA 14 2.293 -2.731 -9.412
250 HB2 ALA 14 HB2 ALA 14 3.488 -4.029 -9.214
251 HB3 ALA 14 HB3 ALA 14 3.306 -3.224 -10.788
252 H LEU 15 H LEU 15 -0.104 -3.526 -8.910
253 HA LEU 15 HA LEU 15 -0.096 -5.074 -6.543
254 HB2 LEU 15 HB2 LEU 15 -0.987 -2.798 -6.770
255 HB3 LEU 15 HB3 LEU 15 -2.238 -3.362 -7.877
256 HG LEU 15 HG LEU 15 -3.271 -4.661 -6.055
257 HD11 LEU 15 HD11 LEU 15 -1.312 -5.088 -4.603
258 HD12 LEU 15 HD12 LEU 15 -2.598 -4.273 -3.708
259 HD13 LEU 15 HD13 LEU 15 -1.180 -3.349 -4.252
260 HD21 LEU 15 HD21 LEU 15 -4.021 -2.393 -6.568
261 HD22 LEU 15 HD22 LEU 15 -2.790 -1.706 -5.492
262 HD23 LEU 15 HD23 LEU 15 -4.113 -2.676 -4.820
263 H TYR 16 H TYR 16 -2.289 -5.387 -9.446
264 HA TYR 16 HA TYR 16 -3.603 -7.668 -8.231
265 HB2 TYR 16 HB2 TYR 16 -5.045 -7.596 -9.867
266 HB3 TYR 16 HB3 TYR 16 -4.315 -6.069 -10.298
267 HD1 TYR 16 HD1 TYR 16 -4.406 -9.734 -11.053
268 HD2 TYR 16 HD2 TYR 16 -3.266 -5.827 -12.439
269 HE1 TYR 16 HE1 TYR 16 -3.902 -10.688 -13.299
270 HE2 TYR 16 HE2 TYR 16 -2.741 -6.775 -14.695
271 HH TYR 16 HH TYR 16 -3.170 -10.262 -15.433
272 H LEU 17 H LEU 17 -0.792 -7.442 -10.447
273 HA LEU 17 HA LEU 17 -0.539 -10.298 -10.808
274 HB2 LEU 17 HB2 LEU 17 1.423 -7.976 -11.050
275 HB3 LEU 17 HB3 LEU 17 1.866 -9.640 -11.412
276 HG LEU 17 HG LEU 17 -0.411 -8.185 -12.816
277 HD11 LEU 17 HD11 LEU 17 1.158 -7.904 -14.701
278 HD12 LEU 17 HD12 LEU 17 2.468 -8.629 -13.737
279 HD13 LEU 17 HD13 LEU 17 1.751 -7.072 -13.256
280 HD21 LEU 17 HD21 LEU 17 -0.659 -10.612 -12.956
281 HD22 LEU 17 HD22 LEU 17 1.040 -10.784 -13.457
282 HD23 LEU 17 HD23 LEU 17 -0.140 -9.980 -14.521
283 H VAL 18 H VAL 18 0.812 -8.119 -8.305
284 HA VAL 18 HA VAL 18 2.230 -10.210 -6.921
285 HB VAL 18 HB VAL 18 1.204 -7.491 -6.059
286 HG11 VAL 18 HG11 VAL 18 2.682 -9.518 -4.327
287 HG12 VAL 18 HG12 VAL 18 2.538 -7.788 -3.956
288 HG13 VAL 18 HG13 VAL 18 1.088 -8.785 -4.002
289 HG21 VAL 18 HG21 VAL 18 4.005 -8.694 -6.369
290 HG22 VAL 18 HG22 VAL 18 3.214 -7.635 -7.551
291 HG23 VAL 18 HG23 VAL 18 3.629 -7.017 -5.944
292 H CYS 19 HN CYS 19 -1.145 -8.950 -6.460
293 HA CYS 19 HA CYS 19 -1.654 -10.739 -4.257
294 HB2 CYS 19 HB2 CYS 19 -3.561 -9.169 -6.020
295 HB3 CYS 19 HB3 CYS 19 -3.993 -9.989 -4.521
296 H GLY 20 H GLY 20 -2.254 -11.086 -7.739
297 HA2 GLY 20 HA2 GLY 20 -2.863 -12.943 -8.997
298 HA3 GLY 20 HA3 GLY 20 -2.503 -13.951 -7.581
299 H GLU 21 H GLU 21 -4.214 -15.211 -7.278
300 HA GLU 21 HA GLU 21 -6.926 -14.552 -7.901
301 HB2 GLU 21 HB2 GLU 21 -7.482 -16.683 -6.913
302 HB3 GLU 21 HB3 GLU 21 -6.035 -16.833 -7.905
303 HG2 GLU 21 HG2 GLU 21 -4.629 -16.761 -5.832
304 HG3 GLU 21 HG3 GLU 21 -6.104 -16.664 -4.858
305 H ARG 22 H ARG 22 -5.089 -13.645 -5.128
306 HA ARG 22 HA ARG 22 -7.093 -13.762 -3.092
307 HB2 ARG 22 HB2 ARG 22 -4.613 -12.014 -3.361
308 HB3 ARG 22 HB3 ARG 22 -5.594 -12.135 -1.909
309 HG2 ARG 22 HG2 ARG 22 -5.156 -14.534 -1.721
310 HG3 ARG 22 HG3 ARG 22 -4.184 -14.521 -3.193
311 HD2 ARG 22 HD2 ARG 22 -3.518 -12.816 -0.756
312 HD3 ARG 22 HD3 ARG 22 -2.934 -14.479 -0.970
313 HE ARG 22 HE ARG 22 -2.295 -13.072 -3.331
314 HH11 ARG 22 HH11 ARG 22 -1.252 -13.061 0.090
315 HH12 ARG 22 HH12 ARG 22 0.383 -12.603 -0.376
316 HH21 ARG 22 HH21 ARG 22 -0.069 -12.461 -3.720
317 HH22 ARG 22 HH22 ARG 22 0.977 -12.316 -2.319
318 H GLY 23 H GLY 23 -6.446 -11.300 -5.542
319 HA2 GLY 23 HA2 GLY 23 -7.641 -9.351 -6.103
320 HA3 GLY 23 HA3 GLY 23 -8.790 -9.672 -4.788
321 H PHE 24 H PHE 24 -8.186 -7.128 -5.007
322 HA PHE 24 HA PHE 24 -6.261 -6.489 -2.843
323 HB2 PHE 24 HB2 PHE 24 -5.051 -4.985 -4.289
324 HB3 PHE 24 HB3 PHE 24 -5.061 -6.602 -4.970
325 HD1 PHE 24 HD1 PHE 24 -6.471 -3.178 -5.364
326 HD2 PHE 24 HD2 PHE 24 -6.047 -7.090 -7.118
327 HE1 PHE 24 HE1 PHE 24 -7.297 -2.293 -7.531
328 HE2 PHE 24 HE2 PHE 24 -6.898 -6.208 -9.273
329 HZ PHE 24 HZ PHE 24 -7.516 -3.808 -9.488
330 H PHE 25 H PHE 25 -6.211 -4.375 -2.117
331 HA PHE 25 HA PHE 25 -8.716 -2.779 -2.368
332 HB2 PHE 25 HB2 PHE 25 -8.185 -3.408 -0.086
333 HB3 PHE 25 HB3 PHE 25 -6.507 -2.907 -0.272
334 HD1 PHE 25 HD2 PHE 25 -10.015 -1.670 0.005
335 HD2 PHE 25 HD1 PHE 25 -5.838 -0.585 -0.062
336 HE1 PHE 25 HE2 PHE 25 -10.587 0.623 0.793
337 HE2 PHE 25 HE1 PHE 25 -6.412 1.693 0.721
338 HZ PHE 25 HZ PHE 25 -8.794 2.297 1.159
339 H TYR 26 H TYR 26 -8.610 -0.759 -3.275
340 HA TYR 26 HA TYR 26 -6.037 0.617 -3.654
341 HB2 TYR 26 HB2 TYR 26 -6.111 -0.912 -5.567
342 HB3 TYR 26 HB3 TYR 26 -7.711 -0.341 -6.004
343 HD1 TYR 26 HD1 TYR 26 -8.020 1.867 -7.069
344 HD2 TYR 26 HD2 TYR 26 -4.101 0.403 -6.017
345 HE1 TYR 26 HE1 TYR 26 -6.994 3.610 -8.511
346 HE2 TYR 26 HE2 TYR 26 -3.079 2.129 -7.482
347 HH TYR 26 HH TYR 26 -5.032 4.494 -9.335
348 H THR 27 H THR 27 -6.365 2.598 -3.121
349 HA THR 27 HA THR 27 -7.702 4.525 -4.505
350 HB THR 27 HB THR 27 -9.869 3.760 -3.781
351 HG1 THR 27 HG1 THR 27 -10.539 5.720 -2.977
352 HG21 THR 27 HG21 THR 27 -10.616 3.845 -1.469
353 HG22 THR 27 HG22 THR 27 -9.004 4.329 -0.912
354 HG23 THR 27 HG23 THR 27 -9.263 2.711 -1.584
355 HA PRO 28 HA PRO 28 -4.902 6.558 -1.585
356 HB2 PRO 28 HB2 PRO 28 -4.636 8.981 -2.737
357 HB3 PRO 28 HB3 PRO 28 -3.991 7.505 -3.497
358 HG2 PRO 28 HG2 PRO 28 -6.609 8.919 -4.086
359 HG3 PRO 28 HG3 PRO 28 -5.388 8.347 -5.266
360 HD2 PRO 28 HD2 PRO 28 -7.643 6.911 -4.578
361 HD3 PRO 28 HD3 PRO 28 -6.107 6.128 -5.065
362 H LYS 29 H LYS 29 -4.882 8.449 -0.110
363 HA LYS 29 HA LYS 29 -7.620 9.469 0.581
364 HB2 LYS 29 HB2 LYS 29 -4.980 9.393 2.106
365 HB3 LYS 29 HB3 LYS 29 -6.363 10.377 2.610
366 HG2 LYS 29 HG2 LYS 29 -7.813 8.346 2.645
367 HG3 LYS 29 HG3 LYS 29 -6.393 7.348 2.282
368 HD2 LYS 29 HD2 LYS 29 -5.313 8.105 4.373
369 HD3 LYS 29 HD3 LYS 29 -6.688 9.189 4.706
370 HE2 LYS 29 HE2 LYS 29 -8.217 7.229 4.790
371 HE3 LYS 29 HE3 LYS 29 -6.853 6.145 4.500
372 HZ1 LYS 29 HZ1 LYS 29 -7.370 6.316 6.863
373 HZ2 LYS 29 HZ2 LYS 29 -7.142 7.925 6.859
374 HZ3 LYS 29 HZ3 LYS 29 -5.880 6.925 6.595
375 H THR 30 H THR 30 -4.327 10.755 -0.059
376 HA THR 30 HA THR 30 -5.296 13.528 -0.105
377 HB THR 30 HB THR 30 -2.855 14.012 -0.499
378 HG1 THR 30 HG1 THR 30 -1.456 12.253 -0.319
379 HG21 THR 30 HG21 THR 30 -3.416 12.184 1.884
380 HG22 THR 30 HG22 THR 30 -3.830 13.908 1.806
381 HG23 THR 30 HG23 THR 30 -2.138 13.403 1.749
382 H LYS 31 H LYS 31 -4.044 11.227 -2.504
383 HA LYS 31 HA LYS 31 -4.111 13.181 -4.669
384 HB2 LYS 31 HB2 LYS 31 -3.740 10.150 -4.701
385 HB3 LYS 31 HB3 LYS 31 -3.499 11.238 -6.075
386 HG2 LYS 31 HG2 LYS 31 -1.693 12.425 -4.803
387 HG3 LYS 31 HG3 LYS 31 -1.924 11.295 -3.469
388 HD2 LYS 31 HD2 LYS 31 -0.027 10.557 -4.756
389 HD3 LYS 31 HD3 LYS 31 -1.326 9.393 -4.916
390 HE2 LYS 31 HE2 LYS 31 -0.282 9.650 -7.065
391 HE3 LYS 31 HE3 LYS 31 -1.902 10.350 -7.156
392 HZ1 LYS 31 HZ1 LYS 31 0.612 11.903 -6.794
393 HZ2 LYS 31 HZ2 LYS 31 -0.880 12.557 -6.915
394 HZ3 LYS 31 HZ3 LYS 31 -0.229 11.779 -8.192
395 H ARG 32 H ARG 32 -6.628 11.705 -3.184
396 HA ARG 32 HA ARG 32 -8.292 10.707 -5.311
397 HB2 ARG 32 HB2 ARG 32 -8.420 10.091 -2.890
398 HB3 ARG 32 HB3 ARG 32 -9.080 11.694 -2.538
399 HG2 ARG 32 HG2 ARG 32 -11.039 11.203 -3.971
400 HG3 ARG 32 HG3 ARG 32 -10.336 9.632 -4.412
401 HD2 ARG 32 HD2 ARG 32 -10.420 8.901 -2.071
402 HD3 ARG 32 HD3 ARG 32 -11.054 10.464 -1.567
403 HE ARG 32 HE ARG 32 -12.480 8.293 -2.973
404 HH11 ARG 32 HH21 ARG 32 -12.714 11.627 -1.927
405 HH12 ARG 32 HH22 ARG 32 -14.449 11.653 -2.085
406 HH21 ARG 32 HH11 ARG 32 -14.682 8.389 -3.139
407 HH22 ARG 32 HH12 ARG 32 -15.525 9.865 -2.752
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 -1.776 7.694 3.377
2 H2 GLY 1 2H GLY 1 -1.070 8.076 1.949
3 H3 GLY 1 3H GLY 1 -0.258 7.174 3.053
4 HA2 GLY 1 HA2 GLY 1 -1.855 5.373 2.840
5 HA3 GLY 1 HA3 GLY 1 -2.682 6.337 1.597
6 H ILE 2 H ILE 2 -1.709 3.731 1.103
7 HA ILE 2 HA ILE 2 0.963 3.560 0.271
8 HB ILE 2 HB ILE 2 -0.520 1.658 0.763
9 HG12 ILE 2 HG12 ILE 2 0.762 1.347 -1.967
10 HG13 ILE 2 HG13 ILE 2 1.701 1.526 -0.483
11 HG21 ILE 2 HG21 ILE 2 -1.616 1.987 -2.077
12 HG22 ILE 2 HG22 ILE 2 -2.009 0.701 -0.930
13 HG23 ILE 2 HG23 ILE 2 -2.521 2.355 -0.596
14 HD11 ILE 2 HD11 ILE 2 1.550 -0.811 -1.052
15 HD12 ILE 2 HD12 ILE 2 0.638 -0.520 0.439
16 HD13 ILE 2 HD13 ILE 2 -0.219 -0.754 -1.106
17 H VAL 3 H VAL 3 -1.742 4.677 -1.690
18 HA VAL 3 HA VAL 3 -0.378 4.544 -4.195
19 HB VAL 3 HB VAL 3 -2.650 6.423 -3.450
20 HG11 VAL 3 HG11 VAL 3 -3.196 6.303 -5.902
21 HG12 VAL 3 HG12 VAL 3 -1.666 7.117 -5.581
22 HG13 VAL 3 HG13 VAL 3 -1.669 5.443 -6.169
23 HG21 VAL 3 HG21 VAL 3 -2.628 3.554 -4.463
24 HG22 VAL 3 HG22 VAL 3 -3.355 4.168 -2.967
25 HG23 VAL 3 HG23 VAL 3 -4.063 4.592 -4.526
26 H GLU 4 H GLU 4 -0.347 7.047 -1.701
27 HA GLU 4 HA GLU 4 1.226 8.980 -3.217
28 HB2 GLU 4 HB2 GLU 4 0.987 8.556 -0.213
29 HB3 GLU 4 HB3 GLU 4 1.703 9.954 -1.009
30 HG2 GLU 4 HG2 GLU 4 -0.446 10.646 -1.896
31 HG3 GLU 4 HG3 GLU 4 -1.226 9.158 -1.342
32 H GLN 5 H GLN 5 1.955 6.369 -0.868
33 HA GLN 5 HA GLN 5 4.738 7.003 -0.645
34 HB2 GLN 5 HB2 GLN 5 3.326 5.838 1.067
35 HB3 GLN 5 HB3 GLN 5 3.275 4.403 0.026
36 HG2 GLN 5 HG2 GLN 5 5.698 4.114 0.224
37 HG3 GLN 5 HG3 GLN 5 5.843 5.634 1.116
38 HE21 GLN 5 HE21 GLN 5 5.056 2.191 1.392
39 HE22 GLN 5 HE22 GLN 5 4.726 2.250 3.110
40 H CYS 6 HN CYS 6 3.072 4.417 -2.520
41 HA CYS 6 HA CYS 6 5.445 3.303 -3.712
42 HB2 CYS 6 HB2 CYS 6 2.512 3.392 -4.518
43 HB3 CYS 6 HB3 CYS 6 3.729 2.540 -5.449
44 H CYS 7 HN CYS 7 3.674 6.230 -4.485
45 HA CYS 7 HA CYS 7 4.883 6.364 -7.194
46 HB2 CYS 7 HB2 CYS 7 2.479 6.839 -6.798
47 HB3 CYS 7 HB3 CYS 7 2.931 8.227 -5.808
48 H THR 8 H THR 8 4.986 8.193 -4.122
49 HA THR 8 HA THR 8 7.016 10.077 -5.086
50 HB THR 8 HB THR 8 7.057 10.891 -2.759
51 HG1 THR 8 HG1 THR 8 4.966 9.025 -2.302
52 HG21 THR 8 HG21 THR 8 5.416 11.826 -4.329
53 HG22 THR 8 HG22 THR 8 4.763 11.772 -2.685
54 HG23 THR 8 HG23 THR 8 4.235 10.582 -3.887
55 H SER 9 H SER 9 7.164 6.966 -3.500
56 HA SER 9 HA SER 9 10.135 7.071 -3.665
57 HB2 SER 9 HB2 SER 9 9.374 7.653 -1.333
58 HB3 SER 9 HB3 SER 9 8.659 6.038 -1.225
59 HG SER 9 HG SER 9 10.843 6.233 -0.362
60 H ILE 10 H ILE 10 10.627 4.561 -2.647
61 HA ILE 10 HA ILE 10 9.202 2.699 -4.546
62 HB ILE 10 HB ILE 10 11.894 2.376 -3.187
63 HG12 ILE 10 HG12 ILE 10 11.135 2.815 -6.114
64 HG13 ILE 10 HG13 ILE 10 11.914 3.994 -5.070
65 HG21 ILE 10 HG21 ILE 10 10.384 0.525 -5.092
66 HG22 ILE 10 HG22 ILE 10 12.037 0.258 -4.497
67 HG23 ILE 10 HG23 ILE 10 10.688 0.213 -3.372
68 HD11 ILE 10 HD11 ILE 10 13.610 3.080 -6.464
69 HD12 ILE 10 HD12 ILE 10 13.877 2.446 -4.831
70 HD13 ILE 10 HD13 ILE 10 13.146 1.419 -6.092
71 H CYS 11 HN CYS 11 7.530 1.778 -3.590
72 HA CYS 11 HA CYS 11 7.511 1.122 -0.696
73 HB2 CYS 11 HB2 CYS 11 5.210 0.473 -1.073
74 HB3 CYS 11 HB3 CYS 11 5.505 2.069 -1.739
75 H SER 12 H SER 12 7.063 -1.090 0.034
76 HA SER 12 HA SER 12 8.804 -2.986 -1.418
77 HB2 SER 12 HB2 SER 12 7.311 -3.255 1.220
78 HB3 SER 12 HB3 SER 12 8.492 -4.402 0.578
79 HG SER 12 HG SER 12 9.418 -2.914 2.097
80 H LEU 13 H LEU 13 8.172 -5.065 -2.216
81 HA LEU 13 HA LEU 13 5.476 -5.380 -3.184
82 HB2 LEU 13 HB2 LEU 13 7.607 -7.505 -2.721
83 HB3 LEU 13 HB3 LEU 13 6.168 -7.671 -3.725
84 HG LEU 13 HG LEU 13 8.546 -5.849 -4.276
85 HD11 LEU 13 HD11 LEU 13 7.528 -8.338 -5.712
86 HD12 LEU 13 HD12 LEU 13 8.946 -8.265 -4.646
87 HD13 LEU 13 HD13 LEU 13 8.940 -7.361 -6.170
88 HD21 LEU 13 HD21 LEU 13 7.465 -5.433 -6.481
89 HD22 LEU 13 HD22 LEU 13 6.551 -4.748 -5.140
90 HD23 LEU 13 HD23 LEU 13 6.003 -6.260 -5.907
91 H TYR 14 H TYR 14 6.972 -6.222 -0.112
92 HA TYR 14 HA TYR 14 4.846 -7.799 0.987
93 HB2 TYR 14 HB2 TYR 14 7.123 -7.664 1.903
94 HB3 TYR 14 HB3 TYR 14 6.885 -5.963 2.304
95 HD1 TYR 14 HD2 TYR 14 5.524 -9.406 2.972
96 HD2 TYR 14 HD1 TYR 14 5.997 -5.366 4.423
97 HE1 TYR 14 HE2 TYR 14 4.594 -10.087 5.181
98 HE2 TYR 14 HE1 TYR 14 5.059 -6.047 6.620
99 HH TYR 14 HH TYR 14 4.195 -7.769 7.893
100 H GLN 15 H GLN 15 5.114 -4.316 0.479
101 HA GLN 15 HA GLN 15 2.837 -3.656 2.277
102 HB2 GLN 15 HB2 GLN 15 4.490 -1.969 0.350
103 HB3 GLN 15 HB3 GLN 15 3.151 -1.356 1.316
104 HG2 GLN 15 HG2 GLN 15 4.270 -1.830 3.387
105 HG3 GLN 15 HG3 GLN 15 5.558 -2.725 2.602
106 HE21 GLN 15 HE22 GLN 15 5.974 -0.466 4.379
107 HE22 GLN 15 HE21 GLN 15 6.784 0.743 3.393
108 H LEU 16 H LEU 16 3.516 -4.043 -1.237
109 HA LEU 16 HA LEU 16 0.807 -3.599 -2.112
110 HB2 LEU 16 HB2 LEU 16 2.940 -5.461 -3.249
111 HB3 LEU 16 HB3 LEU 16 1.474 -4.969 -4.075
112 HG LEU 16 HG LEU 16 3.797 -3.153 -3.285
113 HD11 LEU 16 HD11 LEU 16 2.784 -4.049 -6.017
114 HD12 LEU 16 HD12 LEU 16 4.228 -4.666 -5.185
115 HD13 LEU 16 HD13 LEU 16 4.164 -2.975 -5.697
116 HD21 LEU 16 HD21 LEU 16 2.650 -1.395 -4.583
117 HD22 LEU 16 HD22 LEU 16 1.700 -1.849 -3.167
118 HD23 LEU 16 HD23 LEU 16 1.228 -2.445 -4.776
119 H GLU 17 H GLU 17 2.403 -6.626 -1.029
120 HA GLU 17 HA GLU 17 0.113 -8.309 -1.065
121 HB2 GLU 17 HB2 GLU 17 2.665 -8.250 0.559
122 HB3 GLU 17 HB3 GLU 17 1.428 -9.423 0.940
123 HG2 GLU 17 HG2 GLU 17 2.670 -9.115 -1.820
124 HG3 GLU 17 HG3 GLU 17 3.240 -10.236 -0.590
125 H ASN 18 H ASN 18 1.093 -5.908 1.446
126 HA ASN 18 HA ASN 18 -0.725 -6.805 3.444
127 HB2 ASN 18 HB2 ASN 18 1.202 -5.325 3.852
128 HB3 ASN 18 HB3 ASN 18 0.389 -4.027 2.971
129 HD21 ASN 18 HD21 ASN 18 -1.181 -2.772 4.047
130 HD22 ASN 18 HD22 ASN 18 -1.634 -3.064 5.711
131 H TYR 19 H TYR 19 -1.264 -4.778 0.602
132 HA TYR 19 HA TYR 19 -4.048 -4.115 1.391
133 HB2 TYR 19 HB2 TYR 19 -2.214 -3.322 -0.874
134 HB3 TYR 19 HB3 TYR 19 -3.949 -3.078 -0.993
135 HD1 TYR 19 HD2 TYR 19 -1.096 -2.349 1.375
136 HD2 TYR 19 HD1 TYR 19 -4.926 -1.130 -0.171
137 HE1 TYR 19 HE2 TYR 19 -0.974 -0.282 2.731
138 HE2 TYR 19 HE1 TYR 19 -4.800 0.961 1.163
139 HH TYR 19 HH TYR 19 -2.011 1.690 3.320
140 H CYS 20 HN CYS 20 -2.500 -6.734 -0.107
141 HA CYS 20 HA CYS 20 -4.842 -7.687 -1.661
142 HB2 CYS 20 HB2 CYS 20 -2.444 -8.049 -2.364
143 HB3 CYS 20 HB3 CYS 20 -2.246 -9.056 -0.935
144 H ASN 21 H ASN 21 -5.407 -10.069 -1.120
145 HA ASN 21 HA ASN 21 -6.162 -10.335 1.745
146 HB2 ASN 21 HB2 ASN 21 -7.151 -11.618 -0.820
147 HB3 ASN 21 HB3 ASN 21 -7.435 -12.378 0.733
148 HD21 ASN 21 HD22 ASN 21 -8.058 -9.373 -1.100
149 HD22 ASN 21 HD21 ASN 21 -9.466 -8.927 -0.133
150 H1 PHE 1 H1 PHE 1 17.700 -1.389 -2.188
151 H2 PHE 1 H2 PHE 1 16.554 -0.831 -3.231
152 H3 PHE 1 H3 PHE 1 17.572 -2.008 -3.705
153 HA PHE 1 HA PHE 1 16.673 -3.548 -2.113
154 HB2 PHE 1 HB2 PHE 1 14.701 -1.316 -1.483
155 HB3 PHE 1 HB3 PHE 1 14.675 -2.938 -0.803
156 HD1 PHE 1 HD1 PHE 1 16.781 -3.727 0.527
157 HD2 PHE 1 HD2 PHE 1 15.880 0.407 -0.338
158 HE1 PHE 1 HE1 PHE 1 18.276 -3.009 2.372
159 HE2 PHE 1 HE2 PHE 1 17.385 1.113 1.511
160 HZ PHE 1 HZ PHE 1 18.590 -0.592 2.857
161 H VAL 2 H VAL 2 14.250 -4.468 -2.292
162 HA VAL 2 HA VAL 2 13.786 -4.954 -5.063
163 HB VAL 2 HB VAL 2 13.277 -6.504 -3.159
164 HG11 VAL 2 HG11 VAL 2 11.994 -4.954 -1.688
165 HG12 VAL 2 HG12 VAL 2 10.670 -4.955 -2.863
166 HG13 VAL 2 HG13 VAL 2 11.130 -6.459 -2.037
167 HG21 VAL 2 HG21 VAL 2 11.442 -7.627 -4.230
168 HG22 VAL 2 HG22 VAL 2 10.968 -6.152 -5.096
169 HG23 VAL 2 HG23 VAL 2 12.513 -6.950 -5.467
170 H ASN 3 H ASN 3 12.063 -4.457 -6.409
171 HA ASN 3 HA ASN 3 10.278 -3.503 -7.324
172 HB2 ASN 3 HB2 ASN 3 9.284 -3.695 -4.957
173 HB3 ASN 3 HB3 ASN 3 9.649 -1.971 -4.793
174 HD21 ASN 3 HD21 ASN 3 7.327 -1.665 -4.487
175 HD22 ASN 3 HD22 ASN 3 6.260 -1.664 -5.883
176 H GLN 4 H GLN 4 9.215 -1.155 -7.656
177 HA GLN 4 HA GLN 4 11.329 0.924 -8.076
178 HB2 GLN 4 HB2 GLN 4 9.409 -0.386 -10.059
179 HB3 GLN 4 HB3 GLN 4 10.222 1.149 -10.393
180 HG2 GLN 4 HG2 GLN 4 12.441 0.038 -10.101
181 HG3 GLN 4 HG3 GLN 4 11.610 -1.514 -9.916
182 HE21 GLN 4 HE21 GLN 4 10.209 -2.240 -11.818
183 HE22 GLN 4 HE22 GLN 4 10.745 -1.750 -13.420
184 H HIS 5 H HIS 5 10.013 2.945 -9.112
185 HA HIS 5 HA HIS 5 7.882 3.718 -7.249
186 HB2 HIS 5 HB2 HIS 5 9.071 5.012 -9.732
187 HB3 HIS 5 HB3 HIS 5 7.704 5.680 -8.859
188 HD1 HIS 5 HD1 HIS 5 8.319 7.421 -7.092
189 HD2 HIS 5 HD2 HIS 5 11.418 4.728 -7.996
190 HE1 HIS 5 HE1 HIS 5 10.384 8.254 -5.847
191 H LEU 6 H LEU 6 5.755 3.615 -7.588
192 HA LEU 6 HA LEU 6 4.575 2.684 -10.166
193 HB2 LEU 6 HB2 LEU 6 4.133 1.589 -7.359
194 HB3 LEU 6 HB3 LEU 6 3.112 1.198 -8.739
195 HG LEU 6 HG LEU 6 6.086 0.529 -8.589
196 HD11 LEU 6 HD11 LEU 6 3.620 -1.146 -7.935
197 HD12 LEU 6 HD12 LEU 6 4.875 -0.610 -6.812
198 HD13 LEU 6 HD13 LEU 6 5.276 -1.781 -8.086
199 HD21 LEU 6 HD21 LEU 6 5.501 -1.057 -10.429
200 HD22 LEU 6 HD22 LEU 6 5.244 0.628 -10.901
201 HD23 LEU 6 HD23 LEU 6 3.859 -0.382 -10.462
202 H CYS 7 HN CYS 7 3.127 4.192 -10.758
203 HA CYS 7 HA CYS 7 1.531 5.678 -8.703
204 HB2 CYS 7 HB2 CYS 7 2.584 6.503 -11.432
205 HB3 CYS 7 HB3 CYS 7 1.594 7.500 -10.392
206 H GLY 8 H GLY 8 -0.666 5.775 -9.009
207 HA2 GLY 8 HA2 GLY 8 -2.785 5.385 -9.872
208 HA3 GLY 8 HA3 GLY 8 -2.052 5.978 -11.354
209 H SER 9 H SER 9 -2.653 4.757 -12.995
210 HA SER 9 HA SER 9 -3.654 2.146 -12.981
211 HB2 SER 9 HB2 SER 9 -2.134 3.500 -15.238
212 HB3 SER 9 HB3 SER 9 -3.327 2.193 -15.388
213 HG SER 9 HG SER 9 -4.273 4.247 -15.821
214 H HIS 10 H HIS 10 -0.202 3.118 -13.105
215 HA HIS 10 HA HIS 10 0.708 0.431 -13.844
216 HB2 HIS 10 HB2 HIS 10 1.898 2.635 -14.306
217 HB3 HIS 10 HB3 HIS 10 2.330 2.686 -12.594
218 HD1 HIS 10 HD1 HIS 10 2.877 -0.722 -12.785
219 HD2 HIS 10 HD2 HIS 10 4.564 2.522 -14.871
220 HE1 HIS 10 HE1 HIS 10 5.131 -1.525 -13.652
221 H LEU 11 H LEU 11 0.174 2.196 -10.792
222 HA LEU 11 HA LEU 11 1.207 0.081 -9.081
223 HB2 LEU 11 HB2 LEU 11 1.053 2.412 -8.327
224 HB3 LEU 11 HB3 LEU 11 -0.690 2.408 -8.557
225 HG LEU 11 HG LEU 11 -0.989 0.789 -6.753
226 HD11 LEU 11 HD11 LEU 11 2.038 0.900 -6.403
227 HD12 LEU 11 HD12 LEU 11 1.100 -0.529 -6.883
228 HD13 LEU 11 HD13 LEU 11 0.880 0.161 -5.268
229 HD21 LEU 11 HD21 LEU 11 -0.925 3.209 -6.262
230 HD22 LEU 11 HD22 LEU 11 0.817 3.112 -5.980
231 HD23 LEU 11 HD23 LEU 11 -0.312 2.256 -4.900
232 H VAL 12 H VAL 12 -2.056 0.936 -10.272
233 HA VAL 12 HA VAL 12 -3.446 -1.231 -9.052
234 HB VAL 12 HB VAL 12 -4.002 0.247 -11.645
235 HG11 VAL 12 HG11 VAL 12 -6.330 -0.656 -11.494
236 HG12 VAL 12 HG12 VAL 12 -5.150 -1.912 -11.849
237 HG13 VAL 12 HG13 VAL 12 -5.800 -1.747 -10.200
238 HG21 VAL 12 HG21 VAL 12 -4.169 1.583 -9.547
239 HG22 VAL 12 HG22 VAL 12 -5.749 1.366 -10.314
240 HG23 VAL 12 HG23 VAL 12 -5.314 0.399 -8.888
241 H GLU 13 H GLU 13 -1.774 -1.120 -12.263
242 HA GLU 13 HA GLU 13 -2.244 -3.835 -12.953
243 HB2 GLU 13 HB2 GLU 13 -1.473 -2.079 -14.503
244 HB3 GLU 13 HB3 GLU 13 0.105 -2.051 -13.704
245 HG2 GLU 13 HG2 GLU 13 0.530 -4.374 -14.375
246 HG3 GLU 13 HG3 GLU 13 -1.112 -4.520 -15.024
247 H ALA 14 H ALA 14 0.538 -2.381 -11.127
248 HA ALA 14 HA ALA 14 1.955 -4.828 -10.742
249 HB1 ALA 14 HB1 ALA 14 3.085 -3.573 -8.940
250 HB2 ALA 14 HB2 ALA 14 2.947 -2.612 -10.419
251 HB3 ALA 14 HB3 ALA 14 1.849 -2.295 -9.051
252 H LEU 15 H LEU 15 -0.643 -3.302 -8.777
253 HA LEU 15 HA LEU 15 -0.664 -5.297 -6.703
254 HB2 LEU 15 HB2 LEU 15 -2.716 -3.320 -7.757
255 HB3 LEU 15 HB3 LEU 15 -3.087 -4.434 -6.451
256 HG LEU 15 HG LEU 15 -0.695 -2.572 -6.272
257 HD11 LEU 15 HD11 LEU 15 -3.521 -2.001 -5.283
258 HD12 LEU 15 HD12 LEU 15 -2.730 -1.194 -6.653
259 HD13 LEU 15 HD13 LEU 15 -2.078 -0.998 -5.017
260 HD21 LEU 15 HD21 LEU 15 -1.037 -2.911 -3.830
261 HD22 LEU 15 HD22 LEU 15 -0.765 -4.452 -4.657
262 HD23 LEU 15 HD23 LEU 15 -2.409 -3.990 -4.170
263 H TYR 16 H TYR 16 -2.445 -5.174 -9.852
264 HA TYR 16 HA TYR 16 -3.780 -7.698 -9.459
265 HB2 TYR 16 HB2 TYR 16 -3.031 -6.062 -11.894
266 HB3 TYR 16 HB3 TYR 16 -3.610 -7.706 -12.089
267 HD1 TYR 16 HD1 TYR 16 -5.816 -8.311 -10.695
268 HD2 TYR 16 HD2 TYR 16 -4.688 -4.381 -12.062
269 HE1 TYR 16 HE1 TYR 16 -8.183 -7.591 -10.556
270 HE2 TYR 16 HE2 TYR 16 -7.062 -3.652 -11.925
271 HH TYR 16 HH TYR 16 -9.683 -5.856 -10.846
272 H LEU 17 H LEU 17 -0.546 -6.962 -10.838
273 HA LEU 17 HA LEU 17 0.089 -9.698 -11.463
274 HB2 LEU 17 HB2 LEU 17 1.802 -7.222 -10.965
275 HB3 LEU 17 HB3 LEU 17 2.482 -8.767 -11.461
276 HG LEU 17 HG LEU 17 0.363 -7.309 -13.103
277 HD11 LEU 17 HD11 LEU 17 2.386 -5.913 -12.906
278 HD12 LEU 17 HD12 LEU 17 2.224 -6.574 -14.542
279 HD13 LEU 17 HD13 LEU 17 3.396 -7.287 -13.419
280 HD21 LEU 17 HD21 LEU 17 1.190 -8.774 -14.929
281 HD22 LEU 17 HD22 LEU 17 0.503 -9.716 -13.604
282 HD23 LEU 17 HD23 LEU 17 2.266 -9.599 -13.789
283 H VAL 18 H VAL 18 0.842 -7.768 -8.543
284 HA VAL 18 HA VAL 18 2.242 -9.925 -7.231
285 HB VAL 18 HB VAL 18 1.061 -7.319 -6.213
286 HG11 VAL 18 HG11 VAL 18 0.997 -8.782 -4.263
287 HG12 VAL 18 HG12 VAL 18 2.654 -9.344 -4.589
288 HG13 VAL 18 HG13 VAL 18 2.349 -7.665 -4.104
289 HG21 VAL 18 HG21 VAL 18 3.444 -6.696 -6.006
290 HG22 VAL 18 HG22 VAL 18 3.936 -8.301 -6.580
291 HG23 VAL 18 HG23 VAL 18 3.089 -7.185 -7.665
292 H CYS 19 HN CYS 19 -1.149 -8.732 -6.919
293 HA CYS 19 HA CYS 19 -1.721 -10.588 -4.759
294 HB2 CYS 19 HB2 CYS 19 -2.550 -8.235 -4.979
295 HB3 CYS 19 HB3 CYS 19 -3.546 -8.749 -6.344
296 H GLY 20 H GLY 20 -2.651 -10.408 -8.212
297 HA2 GLY 20 HA2 GLY 20 -3.528 -12.012 -9.635
298 HA3 GLY 20 HA3 GLY 20 -3.239 -13.232 -8.383
299 H GLU 21 H GLU 21 -5.130 -14.294 -8.563
300 HA GLU 21 HA GLU 21 -7.727 -13.176 -8.840
301 HB2 GLU 21 HB2 GLU 21 -6.946 -15.473 -9.459
302 HB3 GLU 21 HB3 GLU 21 -6.929 -15.907 -7.746
303 HG2 GLU 21 HG2 GLU 21 -9.365 -15.581 -7.621
304 HG3 GLU 21 HG3 GLU 21 -9.392 -14.976 -9.281
305 H ARG 22 H ARG 22 -5.784 -13.458 -5.970
306 HA ARG 22 HA ARG 22 -7.729 -13.870 -3.958
307 HB2 ARG 22 HB2 ARG 22 -5.084 -12.382 -3.918
308 HB3 ARG 22 HB3 ARG 22 -6.017 -12.767 -2.471
309 HG2 ARG 22 HG2 ARG 22 -5.877 -15.179 -2.971
310 HG3 ARG 22 HG3 ARG 22 -4.904 -14.845 -4.411
311 HD2 ARG 22 HD2 ARG 22 -4.128 -14.021 -1.580
312 HD3 ARG 22 HD3 ARG 22 -3.586 -15.508 -2.361
313 HE ARG 22 HE ARG 22 -2.780 -13.797 -4.221
314 HH11 ARG 22 HH11 ARG 22 -2.640 -12.861 -0.797
315 HH12 ARG 22 HH12 ARG 22 -1.022 -12.208 -1.001
316 HH21 ARG 22 HH21 ARG 22 -0.723 -12.929 -4.336
317 HH22 ARG 22 HH22 ARG 22 0.006 -12.208 -2.924
318 H GLY 23 H GLY 23 -6.924 -10.893 -5.651
319 HA2 GLY 23 HA2 GLY 23 -8.119 -8.905 -5.811
320 HA3 GLY 23 HA3 GLY 23 -9.270 -9.485 -4.597
321 H PHE 24 H PHE 24 -7.775 -6.893 -5.035
322 HA PHE 24 HA PHE 24 -6.666 -6.546 -2.291
323 HB2 PHE 24 HB2 PHE 24 -5.007 -5.015 -3.273
324 HB3 PHE 24 HB3 PHE 24 -4.858 -6.638 -3.915
325 HD1 PHE 24 HD1 PHE 24 -5.792 -3.150 -4.718
326 HD2 PHE 24 HD2 PHE 24 -5.364 -7.155 -6.257
327 HE1 PHE 24 HE1 PHE 24 -5.912 -2.273 -7.040
328 HE2 PHE 24 HE2 PHE 24 -5.491 -6.272 -8.560
329 HZ PHE 24 HZ PHE 24 -5.748 -3.835 -8.964
330 H PHE 25 H PHE 25 -6.794 -4.481 -1.394
331 HA PHE 25 HA PHE 25 -9.139 -2.861 -2.196
332 HB2 PHE 25 HB2 PHE 25 -8.828 -3.473 0.171
333 HB3 PHE 25 HB3 PHE 25 -7.251 -2.698 0.183
334 HD1 PHE 25 HD1 PHE 25 -10.916 -2.030 -0.325
335 HD2 PHE 25 HD2 PHE 25 -7.062 -0.350 0.631
336 HE1 PHE 25 HE1 PHE 25 -11.996 0.132 0.242
337 HE2 PHE 25 HE2 PHE 25 -8.143 1.809 1.196
338 HZ PHE 25 HZ PHE 25 -10.614 2.051 1.015
339 H TYR 26 H TYR 26 -8.998 -0.728 -2.886
340 HA TYR 26 HA TYR 26 -6.457 0.694 -3.081
341 HB2 TYR 26 HB2 TYR 26 -6.330 -0.850 -5.009
342 HB3 TYR 26 HB3 TYR 26 -7.861 -0.244 -5.616
343 HD1 TYR 26 HD2 TYR 26 -4.276 0.481 -5.093
344 HD2 TYR 26 HD1 TYR 26 -7.985 1.973 -6.706
345 HE1 TYR 26 HE2 TYR 26 -3.029 2.217 -6.361
346 HE2 TYR 26 HE1 TYR 26 -6.743 3.747 -7.931
347 HH TYR 26 HH TYR 26 -4.685 4.656 -8.406
348 H THR 27 H THR 27 -6.786 2.785 -2.881
349 HA THR 27 HA THR 27 -9.042 4.165 -4.193
350 HB THR 27 HB THR 27 -8.373 4.557 -1.250
351 HG1 THR 27 HG1 THR 27 -10.523 3.857 -1.010
352 HG21 THR 27 HG21 THR 27 -10.340 6.019 -3.080
353 HG22 THR 27 HG22 THR 27 -8.918 6.726 -2.279
354 HG23 THR 27 HG23 THR 27 -10.290 6.169 -1.309
355 HA PRO 28 HA PRO 28 -5.217 6.568 -4.819
356 HB2 PRO 28 HB2 PRO 28 -5.957 8.108 -6.914
357 HB3 PRO 28 HB3 PRO 28 -5.702 6.348 -7.096
358 HG2 PRO 28 HG2 PRO 28 -8.323 7.825 -6.715
359 HG3 PRO 28 HG3 PRO 28 -7.938 6.553 -7.916
360 HD2 PRO 28 HD2 PRO 28 -9.195 6.058 -5.498
361 HD3 PRO 28 HD3 PRO 28 -8.160 4.853 -6.311
362 H LYS 29 H LYS 29 -4.518 8.720 -4.283
363 HA LYS 29 HA LYS 29 -6.221 10.015 -2.407
364 HB2 LYS 29 HB2 LYS 29 -3.455 10.071 -3.096
365 HB3 LYS 29 HB3 LYS 29 -4.001 11.733 -3.256
366 HG2 LYS 29 HG2 LYS 29 -4.353 9.951 -0.805
367 HG3 LYS 29 HG3 LYS 29 -3.144 11.230 -0.997
368 HD2 LYS 29 HD2 LYS 29 -4.885 12.948 -1.057
369 HD3 LYS 29 HD3 LYS 29 -6.146 11.708 -1.008
370 HE2 LYS 29 HE2 LYS 29 -5.182 10.901 1.183
371 HE3 LYS 29 HE3 LYS 29 -4.167 12.350 1.196
372 HZ1 LYS 29 HZ1 LYS 29 -6.280 12.658 2.405
373 HZ2 LYS 29 HZ2 LYS 29 -7.140 12.328 1.040
374 HZ3 LYS 29 HZ3 LYS 29 -6.211 13.677 1.127
375 H THR 30 H THR 30 -6.212 10.392 -5.770
376 HA THR 30 HA THR 30 -7.309 13.093 -5.988
377 HB THR 30 HB THR 30 -8.012 12.246 -8.263
378 HG1 THR 30 HG1 THR 30 -7.216 10.205 -8.841
379 HG21 THR 30 HG21 THR 30 -5.077 11.771 -7.556
380 HG22 THR 30 HG22 THR 30 -5.813 13.355 -7.893
381 HG23 THR 30 HG23 THR 30 -5.739 12.126 -9.163
382 H LYS 31 H LYS 31 -8.639 9.885 -5.327
383 HA LYS 31 HA LYS 31 -11.426 10.803 -5.628
384 HB2 LYS 31 HB2 LYS 31 -10.645 8.546 -6.327
385 HB3 LYS 31 HB3 LYS 31 -10.276 8.155 -4.639
386 HG2 LYS 31 HG2 LYS 31 -12.650 8.375 -4.038
387 HG3 LYS 31 HG3 LYS 31 -13.040 8.940 -5.671
388 HD2 LYS 31 HD2 LYS 31 -12.339 6.760 -6.607
389 HD3 LYS 31 HD3 LYS 31 -11.915 6.192 -4.977
390 HE2 LYS 31 HE2 LYS 31 -14.271 6.513 -4.251
391 HE3 LYS 31 HE3 LYS 31 -14.691 7.097 -5.869
392 HZ1 LYS 31 HZ1 LYS 31 -13.692 4.369 -5.249
393 HZ2 LYS 31 HZ2 LYS 31 -14.087 4.910 -6.745
394 HZ3 LYS 31 HZ3 LYS 31 -15.241 4.755 -5.595
395 H ARG 32 H ARG 32 -9.235 9.954 -2.935
396 HA ARG 32 HA ARG 32 -10.726 11.565 -0.999
397 HB2 ARG 32 HB2 ARG 32 -12.070 9.453 -1.111
398 HB3 ARG 32 HB3 ARG 32 -10.632 8.541 -0.641
399 HG2 ARG 32 HG2 ARG 32 -10.563 9.739 1.522
400 HG3 ARG 32 HG3 ARG 32 -11.946 10.734 1.020
401 HD2 ARG 32 HD2 ARG 32 -13.335 8.656 0.837
402 HD3 ARG 32 HD3 ARG 32 -11.945 7.700 1.347
403 HE ARG 32 HE ARG 32 -12.204 8.398 3.544
404 HH11 ARG 32 HH12 ARG 32 -14.460 10.256 1.596
405 HH12 ARG 32 HH11 ARG 32 -15.306 10.853 3.000
406 HH21 ARG 32 HH21 ARG 32 -13.335 9.192 5.268
407 HH22 ARG 32 HH22 ARG 32 -14.676 10.268 5.012
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 -2.960 5.123 3.157
2 H2 GLY 1 2H GLY 1 -2.978 3.528 3.544
3 H3 GLY 1 3H GLY 1 -4.341 4.423 3.688
4 HA2 GLY 1 HA2 GLY 1 -4.450 3.014 1.720
5 HA3 GLY 1 HA3 GLY 1 -4.499 4.740 1.322
6 H ILE 2 H ILE 2 -3.240 1.992 0.195
7 HA ILE 2 HA ILE 2 -0.489 2.146 0.139
8 HB ILE 2 HB ILE 2 -1.839 0.229 -0.578
9 HG12 ILE 2 HG12 ILE 2 -0.489 -0.621 -2.418
10 HG13 ILE 2 HG13 ILE 2 0.124 0.989 -2.769
11 HG21 ILE 2 HG21 ILE 2 -3.536 1.384 -1.983
12 HG22 ILE 2 HG22 ILE 2 -2.299 1.630 -3.234
13 HG23 ILE 2 HG23 ILE 2 -2.801 -0.007 -2.779
14 HD11 ILE 2 HD11 ILE 2 1.713 -0.461 -1.478
15 HD12 ILE 2 HD12 ILE 2 1.325 1.037 -0.623
16 HD13 ILE 2 HD13 ILE 2 0.562 -0.493 -0.131
17 H VAL 3 H VAL 3 -2.582 3.924 -2.046
18 HA VAL 3 HA VAL 3 -0.624 4.712 -3.936
19 HB VAL 3 HB VAL 3 -3.062 6.357 -3.152
20 HG11 VAL 3 HG11 VAL 3 -3.036 7.040 -5.533
21 HG12 VAL 3 HG12 VAL 3 -1.558 7.538 -4.713
22 HG13 VAL 3 HG13 VAL 3 -1.535 6.121 -5.788
23 HG21 VAL 3 HG21 VAL 3 -2.839 3.956 -5.005
24 HG22 VAL 3 HG22 VAL 3 -3.861 4.100 -3.567
25 HG23 VAL 3 HG23 VAL 3 -4.216 5.060 -5.003
26 H GLU 4 H GLU 4 -1.351 6.097 -0.726
27 HA GLU 4 HA GLU 4 0.189 8.531 -1.122
28 HB2 GLU 4 HB2 GLU 4 -1.670 8.242 0.503
29 HB3 GLU 4 HB3 GLU 4 -0.654 7.155 1.460
30 HG2 GLU 4 HG2 GLU 4 0.908 8.959 1.947
31 HG3 GLU 4 HG3 GLU 4 0.102 10.035 0.801
32 H GLN 5 H GLN 5 1.061 5.212 -0.428
33 HA GLN 5 HA GLN 5 3.800 5.989 0.444
34 HB2 GLN 5 HB2 GLN 5 2.661 4.088 1.585
35 HB3 GLN 5 HB3 GLN 5 2.524 3.243 0.047
36 HG2 GLN 5 HG2 GLN 5 4.401 2.345 1.283
37 HG3 GLN 5 HG3 GLN 5 4.998 3.176 -0.143
38 HE21 GLN 5 HE21 GLN 5 7.053 3.995 0.462
39 HE22 GLN 5 HE22 GLN 5 7.289 4.914 1.941
40 H CYS 6 HN CYS 6 2.261 3.991 -2.152
41 HA CYS 6 HA CYS 6 4.728 3.701 -3.578
42 HB2 CYS 6 HB2 CYS 6 1.818 3.219 -4.278
43 HB3 CYS 6 HB3 CYS 6 3.134 2.835 -5.377
44 H CYS 7 HN CYS 7 2.167 6.150 -4.012
45 HA CYS 7 HA CYS 7 3.243 6.901 -6.655
46 HB2 CYS 7 HB2 CYS 7 0.795 6.992 -5.998
47 HB3 CYS 7 HB3 CYS 7 1.176 8.381 -4.991
48 H THR 8 H THR 8 2.941 8.518 -3.501
49 HA THR 8 HA THR 8 4.542 10.801 -4.209
50 HB THR 8 HB THR 8 3.604 9.873 -1.468
51 HG1 THR 8 HG1 THR 8 2.269 11.469 -3.406
52 HG21 THR 8 HG21 THR 8 4.206 12.641 -2.606
53 HG22 THR 8 HG22 THR 8 5.066 11.818 -1.286
54 HG23 THR 8 HG23 THR 8 3.390 12.334 -1.054
55 H SER 9 H SER 9 5.352 7.703 -2.751
56 HA SER 9 HA SER 9 8.203 8.529 -2.639
57 HB2 SER 9 HB2 SER 9 7.112 8.680 -0.356
58 HB3 SER 9 HB3 SER 9 6.859 6.928 -0.440
59 HG SER 9 HG SER 9 8.847 7.631 0.645
60 H ILE 10 H ILE 10 9.203 6.142 -1.740
61 HA ILE 10 HA ILE 10 8.784 4.326 -4.079
62 HB ILE 10 HB ILE 10 10.935 4.563 -1.939
63 HG12 ILE 10 HG12 ILE 10 10.958 4.844 -4.984
64 HG13 ILE 10 HG13 ILE 10 10.956 6.181 -3.840
65 HG21 ILE 10 HG21 ILE 10 12.122 2.695 -3.033
66 HG22 ILE 10 HG22 ILE 10 10.611 2.153 -2.333
67 HG23 ILE 10 HG23 ILE 10 10.722 2.419 -4.088
68 HD11 ILE 10 HD11 ILE 10 13.208 4.203 -4.299
69 HD12 ILE 10 HD12 ILE 10 13.177 5.939 -4.640
70 HD13 ILE 10 HD13 ILE 10 13.166 5.377 -2.957
71 H CYS 11 HN CYS 11 8.054 2.205 -3.906
72 HA CYS 11 HA CYS 11 7.562 1.155 -1.194
73 HB2 CYS 11 HB2 CYS 11 5.326 0.534 -1.582
74 HB3 CYS 11 HB3 CYS 11 5.467 2.223 -2.048
75 H SER 12 H SER 12 7.202 -1.110 -1.036
76 HA SER 12 HA SER 12 8.670 -2.703 -3.122
77 HB2 SER 12 HB2 SER 12 9.528 -4.022 -1.280
78 HB3 SER 12 HB3 SER 12 9.873 -2.312 -0.987
79 HG SER 12 HG SER 12 9.061 -3.276 0.906
80 H LEU 13 H LEU 13 8.269 -5.070 -3.031
81 HA LEU 13 HA LEU 13 5.579 -5.765 -3.582
82 HB2 LEU 13 HB2 LEU 13 7.880 -7.536 -2.671
83 HB3 LEU 13 HB3 LEU 13 6.407 -8.081 -3.492
84 HG LEU 13 HG LEU 13 8.506 -6.255 -4.736
85 HD11 LEU 13 HD11 LEU 13 7.997 -9.243 -5.093
86 HD12 LEU 13 HD12 LEU 13 9.400 -8.504 -4.286
87 HD13 LEU 13 HD13 LEU 13 9.160 -8.273 -6.026
88 HD21 LEU 13 HD21 LEU 13 6.101 -7.709 -5.917
89 HD22 LEU 13 HD22 LEU 13 7.335 -6.879 -6.873
90 HD23 LEU 13 HD23 LEU 13 6.305 -5.946 -5.782
91 H TYR 14 H TYR 14 7.347 -5.947 -0.497
92 HA TYR 14 HA TYR 14 5.438 -7.468 0.997
93 HB2 TYR 14 HB2 TYR 14 7.729 -7.071 1.742
94 HB3 TYR 14 HB3 TYR 14 7.457 -5.334 1.793
95 HD1 TYR 14 HD2 TYR 14 6.307 -8.566 3.323
96 HD2 TYR 14 HD1 TYR 14 6.682 -4.292 3.775
97 HE1 TYR 14 HE2 TYR 14 5.560 -8.755 5.685
98 HE2 TYR 14 HE1 TYR 14 5.923 -4.474 6.135
99 HH TYR 14 HH TYR 14 5.083 -7.627 7.642
100 H GLN 15 H GLN 15 5.509 -4.048 0.098
101 HA GLN 15 HA GLN 15 3.255 -3.339 1.886
102 HB2 GLN 15 HB2 GLN 15 4.817 -1.775 -0.208
103 HB3 GLN 15 HB3 GLN 15 3.526 -1.102 0.793
104 HG2 GLN 15 HG2 GLN 15 4.755 -1.523 2.839
105 HG3 GLN 15 HG3 GLN 15 6.024 -2.404 1.989
106 HE21 GLN 15 HE22 GLN 15 5.820 0.359 3.577
107 HE22 GLN 15 HE21 GLN 15 6.815 1.363 2.534
108 H LEU 16 H LEU 16 3.786 -4.121 -1.566
109 HA LEU 16 HA LEU 16 1.042 -3.650 -2.371
110 HB2 LEU 16 HB2 LEU 16 3.183 -5.518 -3.495
111 HB3 LEU 16 HB3 LEU 16 1.658 -5.147 -4.274
112 HG LEU 16 HG LEU 16 3.954 -3.210 -3.721
113 HD11 LEU 16 HD11 LEU 16 2.813 -4.334 -6.304
114 HD12 LEU 16 HD12 LEU 16 4.386 -4.712 -5.569
115 HD13 LEU 16 HD13 LEU 16 4.081 -3.091 -6.189
116 HD21 LEU 16 HD21 LEU 16 2.676 -1.526 -5.004
117 HD22 LEU 16 HD22 LEU 16 1.832 -1.949 -3.518
118 HD23 LEU 16 HD23 LEU 16 1.286 -2.623 -5.074
119 H GLU 17 H GLU 17 2.706 -6.558 -1.134
120 HA GLU 17 HA GLU 17 0.451 -8.298 -0.961
121 HB2 GLU 17 HB2 GLU 17 3.047 -8.023 0.579
122 HB3 GLU 17 HB3 GLU 17 1.849 -9.186 1.110
123 HG2 GLU 17 HG2 GLU 17 3.046 -9.130 -1.687
124 HG3 GLU 17 HG3 GLU 17 3.638 -10.122 -0.363
125 H ASN 18 H ASN 18 1.531 -5.721 1.328
126 HA ASN 18 HA ASN 18 -0.076 -6.484 3.499
127 HB2 ASN 18 HB2 ASN 18 1.823 -4.877 3.540
128 HB3 ASN 18 HB3 ASN 18 0.797 -3.684 2.732
129 HD21 ASN 18 HD21 ASN 18 0.976 -5.748 5.695
130 HD22 ASN 18 HD22 ASN 18 0.125 -4.595 6.709
131 H TYR 19 H TYR 19 -1.061 -4.766 0.599
132 HA TYR 19 HA TYR 19 -3.771 -4.194 1.700
133 HB2 TYR 19 HB2 TYR 19 -2.237 -3.220 -0.722
134 HB3 TYR 19 HB3 TYR 19 -3.973 -2.994 -0.566
135 HD1 TYR 19 HD1 TYR 19 -0.726 -2.232 1.134
136 HD2 TYR 19 HD2 TYR 19 -4.920 -1.326 0.822
137 HE1 TYR 19 HE1 TYR 19 -0.396 -0.260 2.600
138 HE2 TYR 19 HE2 TYR 19 -4.613 0.648 2.309
139 HH TYR 19 HH TYR 19 -1.393 1.507 3.670
140 H CYS 20 HN CYS 20 -2.335 -6.795 0.275
141 HA CYS 20 HA CYS 20 -4.641 -7.715 -1.348
142 HB2 CYS 20 HB2 CYS 20 -2.193 -8.213 -1.848
143 HB3 CYS 20 HB3 CYS 20 -2.191 -9.205 -0.390
144 H ASN 21 H ASN 21 -5.419 -10.001 -0.725
145 HA ASN 21 HA ASN 21 -6.369 -10.053 2.084
146 HB2 ASN 21 HB2 ASN 21 -7.137 -11.526 -0.443
147 HB3 ASN 21 HB3 ASN 21 -7.496 -12.233 1.125
148 HD21 ASN 21 HD21 ASN 21 -8.082 -9.314 -0.845
149 HD22 ASN 21 HD22 ASN 21 -9.578 -8.902 0.005
150 H1 PHE 1 H1 PHE 1 16.622 -6.594 -7.576
151 H2 PHE 1 H2 PHE 1 16.299 -5.014 -7.270
152 H3 PHE 1 H3 PHE 1 15.809 -5.686 -8.675
153 HA PHE 1 HA PHE 1 14.313 -7.188 -7.548
154 HB2 PHE 1 HB2 PHE 1 13.898 -7.112 -5.250
155 HB3 PHE 1 HB3 PHE 1 15.621 -7.264 -5.447
156 HD1 PHE 1 HD1 PHE 1 15.640 -3.868 -5.912
157 HD2 PHE 1 HD2 PHE 1 14.481 -6.733 -2.882
158 HE1 PHE 1 HE1 PHE 1 16.033 -2.203 -4.189
159 HE2 PHE 1 HE2 PHE 1 14.861 -5.023 -1.143
160 HZ PHE 1 HZ PHE 1 15.642 -2.747 -1.785
161 H VAL 2 H VAL 2 12.052 -6.377 -6.601
162 HA VAL 2 HA VAL 2 11.408 -3.895 -8.069
163 HB VAL 2 HB VAL 2 9.588 -5.932 -6.763
164 HG11 VAL 2 HG11 VAL 2 8.917 -3.480 -8.441
165 HG12 VAL 2 HG12 VAL 2 7.775 -4.749 -8.025
166 HG13 VAL 2 HG13 VAL 2 8.466 -3.760 -6.739
167 HG21 VAL 2 HG21 VAL 2 10.723 -6.797 -8.806
168 HG22 VAL 2 HG22 VAL 2 9.000 -6.558 -9.082
169 HG23 VAL 2 HG23 VAL 2 10.164 -5.376 -9.703
170 H ASN 3 H ASN 3 11.755 -2.132 -7.044
171 HA ASN 3 HA ASN 3 10.469 -1.396 -4.551
172 HB2 ASN 3 HB2 ASN 3 12.524 -2.531 -3.717
173 HB3 ASN 3 HB3 ASN 3 13.514 -1.499 -4.745
174 HD21 ASN 3 HD21 ASN 3 14.286 0.371 -3.831
175 HD22 ASN 3 HD22 ASN 3 13.662 1.074 -2.350
176 H GLN 4 H GLN 4 9.455 0.360 -5.559
177 HA GLN 4 HA GLN 4 11.031 2.457 -6.929
178 HB2 GLN 4 HB2 GLN 4 10.612 0.348 -8.485
179 HB3 GLN 4 HB3 GLN 4 8.946 0.869 -8.478
180 HG2 GLN 4 HG2 GLN 4 9.870 3.125 -9.439
181 HG3 GLN 4 HG3 GLN 4 11.383 2.256 -9.652
182 HE21 GLN 4 HE21 GLN 4 7.896 2.295 -10.522
183 HE22 GLN 4 HE22 GLN 4 8.094 1.337 -11.992
184 H HIS 5 H HIS 5 9.471 4.141 -7.925
185 HA HIS 5 HA HIS 5 7.043 4.603 -6.307
186 HB2 HIS 5 HB2 HIS 5 8.279 5.997 -8.723
187 HB3 HIS 5 HB3 HIS 5 6.702 6.407 -8.077
188 HD1 HIS 5 HD1 HIS 5 6.651 8.234 -6.259
189 HD2 HIS 5 HD2 HIS 5 10.415 6.454 -6.866
190 HE1 HIS 5 HE1 HIS 5 8.326 9.644 -4.966
191 H LEU 6 H LEU 6 4.991 4.203 -7.033
192 HA LEU 6 HA LEU 6 4.379 3.263 -9.769
193 HB2 LEU 6 HB2 LEU 6 3.803 1.721 -7.190
194 HB3 LEU 6 HB3 LEU 6 2.932 1.426 -8.683
195 HG LEU 6 HG LEU 6 5.942 1.063 -8.409
196 HD11 LEU 6 HD11 LEU 6 5.400 -1.360 -8.281
197 HD12 LEU 6 HD12 LEU 6 3.673 -0.944 -8.155
198 HD13 LEU 6 HD13 LEU 6 4.806 -0.445 -6.883
199 HD21 LEU 6 HD21 LEU 6 3.941 0.134 -10.530
200 HD22 LEU 6 HD22 LEU 6 5.668 -0.282 -10.476
201 HD23 LEU 6 HD23 LEU 6 5.180 1.393 -10.743
202 H CYS 7 HN CYS 7 2.443 4.178 -10.429
203 HA CYS 7 HA CYS 7 0.487 5.032 -8.370
204 HB2 CYS 7 HB2 CYS 7 2.277 6.818 -8.859
205 HB3 CYS 7 HB3 CYS 7 1.483 7.029 -10.419
206 H GLY 8 H GLY 8 -1.600 5.581 -9.148
207 HA2 GLY 8 HA2 GLY 8 -3.500 5.228 -10.423
208 HA3 GLY 8 HA3 GLY 8 -2.479 5.690 -11.785
209 H SER 9 H SER 9 -3.113 4.322 -13.346
210 HA SER 9 HA SER 9 -3.875 1.650 -13.194
211 HB2 SER 9 HB2 SER 9 -2.312 2.953 -15.452
212 HB3 SER 9 HB3 SER 9 -3.379 1.541 -15.564
213 HG SER 9 HG SER 9 -4.438 3.487 -16.229
214 H HIS 10 H HIS 10 -0.491 2.896 -13.313
215 HA HIS 10 HA HIS 10 0.696 0.306 -13.822
216 HB2 HIS 10 HB2 HIS 10 1.680 2.603 -14.257
217 HB3 HIS 10 HB3 HIS 10 1.948 2.759 -12.525
218 HD1 HIS 10 HD1 HIS 10 4.553 3.042 -13.619
219 HD2 HIS 10 HD2 HIS 10 2.767 -0.773 -13.624
220 HE1 HIS 10 HE1 HIS 10 6.427 1.369 -14.010
221 H LEU 11 H LEU 11 -0.052 2.101 -10.822
222 HA LEU 11 HA LEU 11 1.018 0.085 -9.023
223 HB2 LEU 11 HB2 LEU 11 0.717 2.403 -8.348
224 HB3 LEU 11 HB3 LEU 11 -1.017 2.324 -8.645
225 HG LEU 11 HG LEU 11 -1.315 0.791 -6.773
226 HD11 LEU 11 HD11 LEU 11 1.701 0.971 -6.367
227 HD12 LEU 11 HD12 LEU 11 0.795 -0.492 -6.792
228 HD13 LEU 11 HD13 LEU 11 0.545 0.262 -5.217
229 HD21 LEU 11 HD21 LEU 11 -1.279 3.256 -6.425
230 HD22 LEU 11 HD22 LEU 11 0.442 3.169 -6.032
231 HD23 LEU 11 HD23 LEU 11 -0.745 2.367 -4.980
232 H VAL 12 H VAL 12 -2.243 0.712 -10.342
233 HA VAL 12 HA VAL 12 -3.566 -1.445 -9.010
234 HB VAL 12 HB VAL 12 -4.141 -0.076 -11.652
235 HG11 VAL 12 HG11 VAL 12 -5.193 -2.265 -11.848
236 HG12 VAL 12 HG12 VAL 12 -5.872 -2.132 -10.210
237 HG13 VAL 12 HG13 VAL 12 -6.440 -1.066 -11.513
238 HG21 VAL 12 HG21 VAL 12 -5.947 1.009 -10.366
239 HG22 VAL 12 HG22 VAL 12 -5.509 0.072 -8.923
240 HG23 VAL 12 HG23 VAL 12 -4.397 1.290 -9.566
241 H GLU 13 H GLU 13 -1.846 -1.420 -12.194
242 HA GLU 13 HA GLU 13 -2.192 -4.215 -12.731
243 HB2 GLU 13 HB2 GLU 13 -0.144 -2.171 -13.657
244 HB3 GLU 13 HB3 GLU 13 -0.095 -3.860 -14.160
245 HG2 GLU 13 HG2 GLU 13 -2.384 -3.697 -15.071
246 HG3 GLU 13 HG3 GLU 13 -2.462 -1.998 -14.614
247 H ALA 14 H ALA 14 0.506 -2.499 -10.980
248 HA ALA 14 HA ALA 14 2.022 -4.862 -10.465
249 HB1 ALA 14 HB1 ALA 14 3.075 -3.506 -8.710
250 HB2 ALA 14 HB2 ALA 14 2.845 -2.536 -10.176
251 HB3 ALA 14 HB3 ALA 14 1.752 -2.325 -8.787
252 H LEU 15 H LEU 15 -0.652 -3.380 -8.577
253 HA LEU 15 HA LEU 15 -0.655 -5.325 -6.460
254 HB2 LEU 15 HB2 LEU 15 -2.782 -3.470 -7.599
255 HB3 LEU 15 HB3 LEU 15 -3.077 -4.525 -6.219
256 HG LEU 15 HG LEU 15 -0.794 -2.525 -6.210
257 HD11 LEU 15 HD11 LEU 15 -2.916 -1.299 -6.606
258 HD12 LEU 15 HD12 LEU 15 -2.237 -0.968 -5.009
259 HD13 LEU 15 HD13 LEU 15 -3.619 -2.070 -5.167
260 HD21 LEU 15 HD21 LEU 15 -2.345 -3.904 -3.965
261 HD22 LEU 15 HD22 LEU 15 -1.019 -2.740 -3.753
262 HD23 LEU 15 HD23 LEU 15 -0.697 -4.313 -4.488
263 H TYR 16 H TYR 16 -2.432 -5.328 -9.614
264 HA TYR 16 HA TYR 16 -3.716 -7.866 -9.192
265 HB2 TYR 16 HB2 TYR 16 -2.938 -6.271 -11.645
266 HB3 TYR 16 HB3 TYR 16 -3.453 -7.931 -11.828
267 HD1 TYR 16 HD2 TYR 16 -5.675 -8.588 -10.454
268 HD2 TYR 16 HD1 TYR 16 -4.658 -4.677 -11.955
269 HE1 TYR 16 HE2 TYR 16 -8.080 -7.964 -10.442
270 HE2 TYR 16 HE1 TYR 16 -7.065 -4.045 -11.948
271 HH TYR 16 HH TYR 16 -9.631 -6.320 -10.875
272 H LEU 17 H LEU 17 -0.499 -7.118 -10.610
273 HA LEU 17 HA LEU 17 0.180 -9.847 -11.178
274 HB2 LEU 17 HB2 LEU 17 1.844 -7.336 -10.739
275 HB3 LEU 17 HB3 LEU 17 2.565 -8.869 -11.192
276 HG LEU 17 HG LEU 17 0.410 -7.520 -12.875
277 HD11 LEU 17 HD11 LEU 17 3.445 -7.396 -13.171
278 HD12 LEU 17 HD12 LEU 17 2.386 -6.047 -12.706
279 HD13 LEU 17 HD13 LEU 17 2.259 -6.750 -14.326
280 HD21 LEU 17 HD21 LEU 17 0.642 -9.927 -13.326
281 HD22 LEU 17 HD22 LEU 17 2.398 -9.744 -13.508
282 HD23 LEU 17 HD23 LEU 17 1.290 -8.983 -14.669
283 H VAL 18 H VAL 18 0.907 -7.860 -8.282
284 HA VAL 18 HA VAL 18 2.353 -10.019 -6.992
285 HB VAL 18 HB VAL 18 1.261 -7.395 -5.933
286 HG11 VAL 18 HG11 VAL 18 1.340 -8.875 -3.988
287 HG12 VAL 18 HG12 VAL 18 2.961 -9.456 -4.455
288 HG13 VAL 18 HG13 VAL 18 2.719 -7.780 -3.926
289 HG21 VAL 18 HG21 VAL 18 3.155 -7.205 -7.507
290 HG22 VAL 18 HG22 VAL 18 3.716 -6.857 -5.866
291 HG23 VAL 18 HG23 VAL 18 4.055 -8.435 -6.602
292 H CYS 19 HN CYS 19 -0.996 -8.742 -6.514
293 HA CYS 19 HA CYS 19 -1.505 -10.576 -4.316
294 HB2 CYS 19 HB2 CYS 19 -2.371 -8.258 -4.503
295 HB3 CYS 19 HB3 CYS 19 -3.361 -8.758 -5.873
296 H GLY 20 H GLY 20 -2.464 -10.479 -7.758
297 HA2 GLY 20 HA2 GLY 20 -3.303 -12.120 -9.148
298 HA3 GLY 20 HA3 GLY 20 -2.941 -13.310 -7.889
299 H GLU 21 H GLU 21 -4.768 -14.473 -8.000
300 HA GLU 21 HA GLU 21 -7.411 -13.522 -8.340
301 HB2 GLU 21 HB2 GLU 21 -6.478 -15.796 -8.839
302 HB3 GLU 21 HB3 GLU 21 -6.476 -16.146 -7.108
303 HG2 GLU 21 HG2 GLU 21 -8.919 -15.978 -7.041
304 HG3 GLU 21 HG3 GLU 21 -8.961 -15.413 -8.716
305 H ARG 22 H ARG 22 -5.508 -13.588 -5.431
306 HA ARG 22 HA ARG 22 -7.465 -13.972 -3.423
307 HB2 ARG 22 HB2 ARG 22 -4.868 -12.393 -3.465
308 HB3 ARG 22 HB3 ARG 22 -5.804 -12.677 -1.996
309 HG2 ARG 22 HG2 ARG 22 -5.565 -15.106 -2.261
310 HG3 ARG 22 HG3 ARG 22 -4.632 -14.888 -3.747
311 HD2 ARG 22 HD2 ARG 22 -3.808 -13.741 -1.048
312 HD3 ARG 22 HD3 ARG 22 -3.266 -15.312 -1.659
313 HE ARG 22 HE ARG 22 -2.602 -13.674 -3.726
314 HH11 ARG 22 HH21 ARG 22 -2.013 -13.018 -0.295
315 HH12 ARG 22 HH22 ARG 22 -0.459 -12.276 -0.644
316 HH21 ARG 22 HH11 ARG 22 -0.551 -12.849 -4.035
317 HH22 ARG 22 HH12 ARG 22 0.340 -12.191 -2.682
318 H GLY 23 H GLY 23 -6.699 -11.031 -5.240
319 HA2 GLY 23 HA2 GLY 23 -7.938 -9.080 -5.489
320 HA3 GLY 23 HA3 GLY 23 -9.100 -9.642 -4.275
321 H PHE 24 H PHE 24 -7.670 -7.037 -4.744
322 HA PHE 24 HA PHE 24 -6.506 -6.600 -2.032
323 HB2 PHE 24 HB2 PHE 24 -4.926 -5.043 -3.122
324 HB3 PHE 24 HB3 PHE 24 -4.742 -6.689 -3.688
325 HD1 PHE 24 HD1 PHE 24 -5.814 -3.275 -4.643
326 HD2 PHE 24 HD2 PHE 24 -5.283 -7.335 -5.992
327 HE1 PHE 24 HE1 PHE 24 -5.998 -2.520 -7.000
328 HE2 PHE 24 HE2 PHE 24 -5.488 -6.578 -8.336
329 HZ PHE 24 HZ PHE 24 -5.829 -4.172 -8.854
330 H PHE 25 H PHE 25 -6.605 -4.463 -1.215
331 HA PHE 25 HA PHE 25 -9.015 -2.921 -1.974
332 HB2 PHE 25 HB2 PHE 25 -8.548 -3.298 0.403
333 HB3 PHE 25 HB3 PHE 25 -6.964 -2.546 0.238
334 HD1 PHE 25 HD2 PHE 25 -10.636 -1.930 0.210
335 HD2 PHE 25 HD1 PHE 25 -6.731 -0.097 0.109
336 HE1 PHE 25 HE2 PHE 25 -11.663 0.300 0.577
337 HE2 PHE 25 HE1 PHE 25 -7.763 2.125 0.479
338 HZ PHE 25 HZ PHE 25 -10.234 2.328 0.707
339 H TYR 26 H TYR 26 -8.997 -0.947 -2.935
340 HA TYR 26 HA TYR 26 -6.523 0.592 -3.265
341 HB2 TYR 26 HB2 TYR 26 -6.532 -0.926 -5.228
342 HB3 TYR 26 HB3 TYR 26 -8.120 -0.326 -5.688
343 HD1 TYR 26 HD1 TYR 26 -4.517 0.478 -5.411
344 HD2 TYR 26 HD2 TYR 26 -8.374 1.903 -6.716
345 HE1 TYR 26 HE1 TYR 26 -3.414 2.307 -6.674
346 HE2 TYR 26 HE2 TYR 26 -7.270 3.767 -7.942
347 HH TYR 26 HH TYR 26 -3.704 4.170 -7.989
348 H THR 27 H THR 27 -6.856 2.728 -3.408
349 HA THR 27 HA THR 27 -9.261 4.042 -4.317
350 HB THR 27 HB THR 27 -8.641 3.996 -1.342
351 HG1 THR 27 HG1 THR 27 -10.280 2.663 -2.520
352 HG21 THR 27 HG21 THR 27 -10.287 5.844 -1.075
353 HG22 THR 27 HG22 THR 27 -10.277 6.103 -2.832
354 HG23 THR 27 HG23 THR 27 -8.811 6.391 -1.866
355 HA PRO 28 HA PRO 28 -5.656 6.653 -5.046
356 HB2 PRO 28 HB2 PRO 28 -6.794 8.746 -6.368
357 HB3 PRO 28 HB3 PRO 28 -6.530 7.134 -7.094
358 HG2 PRO 28 HG2 PRO 28 -9.081 8.236 -5.881
359 HG3 PRO 28 HG3 PRO 28 -8.878 7.364 -7.433
360 HD2 PRO 28 HD2 PRO 28 -9.696 6.125 -5.136
361 HD3 PRO 28 HD3 PRO 28 -8.679 5.288 -6.346
362 H LYS 29 H LYS 29 -4.823 7.478 -3.237
363 HA LYS 29 HA LYS 29 -6.377 9.327 -1.527
364 HB2 LYS 29 HB2 LYS 29 -5.196 7.405 -0.552
365 HB3 LYS 29 HB3 LYS 29 -3.657 7.989 -1.173
366 HG2 LYS 29 HG2 LYS 29 -3.932 8.443 1.222
367 HG3 LYS 29 HG3 LYS 29 -3.739 9.937 0.295
368 HD2 LYS 29 HD2 LYS 29 -6.123 10.441 0.509
369 HD3 LYS 29 HD3 LYS 29 -6.440 8.841 1.181
370 HE2 LYS 29 HE2 LYS 29 -6.462 10.498 2.951
371 HE3 LYS 29 HE3 LYS 29 -5.125 9.375 3.186
372 HZ1 LYS 29 HZ1 LYS 29 -4.810 12.066 1.968
373 HZ2 LYS 29 HZ2 LYS 29 -3.594 11.030 2.378
374 HZ3 LYS 29 HZ3 LYS 29 -4.504 11.718 3.537
375 H THR 30 H THR 30 -3.099 9.368 -3.002
376 HA THR 30 HA THR 30 -3.077 12.346 -3.039
377 HB THR 30 HB THR 30 -0.651 11.980 -3.626
378 HG1 THR 30 HG1 THR 30 0.137 9.901 -3.265
379 HG21 THR 30 HG21 THR 30 -1.591 10.663 -1.033
380 HG22 THR 30 HG22 THR 30 -1.415 12.413 -1.289
381 HG23 THR 30 HG23 THR 30 0.008 11.362 -1.347
382 H LYS 31 H LYS 31 -3.433 9.657 -5.231
383 HA LYS 31 HA LYS 31 -2.815 11.128 -7.650
384 HB2 LYS 31 HB2 LYS 31 -2.604 8.700 -7.464
385 HB3 LYS 31 HB3 LYS 31 -4.309 8.536 -7.068
386 HG2 LYS 31 HG2 LYS 31 -3.867 7.815 -9.343
387 HG3 LYS 31 HG3 LYS 31 -4.962 9.184 -9.322
388 HD2 LYS 31 HD2 LYS 31 -2.968 10.689 -9.898
389 HD3 LYS 31 HD3 LYS 31 -1.980 9.233 -9.985
390 HE2 LYS 31 HE2 LYS 31 -2.589 9.788 -12.216
391 HE3 LYS 31 HE3 LYS 31 -3.513 8.348 -11.778
392 HZ1 LYS 31 HZ1 LYS 31 -4.566 11.131 -11.749
393 HZ2 LYS 31 HZ2 LYS 31 -5.438 9.798 -11.388
394 HZ3 LYS 31 HZ3 LYS 31 -4.881 10.021 -12.906
395 H ARG 32 H ARG 32 -5.591 11.110 -5.607
396 HA ARG 32 HA ARG 32 -7.664 11.638 -7.535
397 HB2 ARG 32 HB2 ARG 32 -8.169 10.680 -5.366
398 HB3 ARG 32 HB3 ARG 32 -7.479 12.070 -4.527
399 HG2 ARG 32 HG2 ARG 32 -9.914 12.129 -4.453
400 HG3 ARG 32 HG3 ARG 32 -9.288 13.507 -5.350
401 HD2 ARG 32 HD2 ARG 32 -9.772 12.165 -7.504
402 HD3 ARG 32 HD3 ARG 32 -10.570 10.980 -6.475
403 HE ARG 32 HE ARG 32 -12.373 12.422 -6.221
404 HH11 ARG 32 HH21 ARG 32 -9.742 14.326 -7.647
405 HH12 ARG 32 HH22 ARG 32 -10.835 15.631 -8.031
406 HH21 ARG 32 HH11 ARG 32 -13.643 14.156 -6.731
407 HH22 ARG 32 HH12 ARG 32 -12.953 15.545 -7.521
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 -3.920 7.032 3.517
2 H2 GLY 1 2H GLY 1 -2.340 6.991 3.121
3 H3 GLY 1 3H GLY 1 -3.025 5.724 3.932
4 HA2 GLY 1 HA2 GLY 1 -4.497 5.358 1.983
5 HA3 GLY 1 HA3 GLY 1 -3.510 6.567 1.144
6 H ILE 2 H ILE 2 -1.573 5.975 0.328
7 HA ILE 2 HA ILE 2 0.096 3.783 0.886
8 HB ILE 2 HB ILE 2 -1.691 2.264 0.247
9 HG12 ILE 2 HG12 ILE 2 0.572 2.371 -1.761
10 HG13 ILE 2 HG13 ILE 2 0.566 1.588 -0.181
11 HG21 ILE 2 HG21 ILE 2 -2.986 3.787 -1.288
12 HG22 ILE 2 HG22 ILE 2 -1.769 3.485 -2.547
13 HG23 ILE 2 HG23 ILE 2 -2.751 2.164 -1.903
14 HD11 ILE 2 HD11 ILE 2 -0.972 0.813 -2.673
15 HD12 ILE 2 HD12 ILE 2 0.276 -0.119 -1.825
16 HD13 ILE 2 HD13 ILE 2 -1.325 0.107 -1.085
17 H VAL 3 H VAL 3 -1.251 5.621 -1.851
18 HA VAL 3 HA VAL 3 1.112 5.453 -3.436
19 HB VAL 3 HB VAL 3 -1.216 5.858 -4.233
20 HG11 VAL 3 HG11 VAL 3 -1.896 7.701 -2.746
21 HG12 VAL 3 HG12 VAL 3 -0.729 8.782 -3.536
22 HG13 VAL 3 HG13 VAL 3 -2.087 8.113 -4.454
23 HG21 VAL 3 HG21 VAL 3 0.878 6.116 -5.623
24 HG22 VAL 3 HG22 VAL 3 -0.545 6.973 -6.206
25 HG23 VAL 3 HG23 VAL 3 0.740 7.870 -5.377
26 H GLU 4 H GLU 4 0.191 7.623 -0.877
27 HA GLU 4 HA GLU 4 2.068 9.718 -1.268
28 HB2 GLU 4 HB2 GLU 4 1.214 8.715 1.465
29 HB3 GLU 4 HB3 GLU 4 1.625 10.345 0.968
30 HG2 GLU 4 HG2 GLU 4 -0.634 10.582 1.105
31 HG3 GLU 4 HG3 GLU 4 -0.551 10.087 -0.586
32 H GLN 5 H GLN 5 2.678 6.448 -0.570
33 HA GLN 5 HA GLN 5 5.531 7.037 0.170
34 HB2 GLN 5 HB2 GLN 5 4.335 5.655 1.857
35 HB3 GLN 5 HB3 GLN 5 3.821 4.544 0.588
36 HG2 GLN 5 HG2 GLN 5 6.274 4.042 0.132
37 HG3 GLN 5 HG3 GLN 5 6.681 5.068 1.513
38 HE21 GLN 5 HE21 GLN 5 4.149 2.474 0.965
39 HE22 GLN 5 HE22 GLN 5 4.680 1.527 2.345
40 H CYS 6 HN CYS 6 3.371 4.843 -1.752
41 HA CYS 6 HA CYS 6 5.498 3.665 -3.210
42 HB2 CYS 6 HB2 CYS 6 2.508 3.848 -3.706
43 HB3 CYS 6 HB3 CYS 6 3.588 2.933 -4.743
44 H CYS 7 HN CYS 7 3.896 6.700 -3.947
45 HA CYS 7 HA CYS 7 5.155 6.700 -6.675
46 HB2 CYS 7 HB2 CYS 7 2.754 7.184 -6.448
47 HB3 CYS 7 HB3 CYS 7 3.121 8.603 -5.468
48 H THR 8 H THR 8 5.256 8.406 -3.553
49 HA THR 8 HA THR 8 7.018 10.554 -4.396
50 HB THR 8 HB THR 8 7.239 10.914 -1.930
51 HG1 THR 8 HG1 THR 8 5.668 9.477 -0.746
52 HG21 THR 8 HG21 THR 8 5.311 11.891 -3.191
53 HG22 THR 8 HG22 THR 8 4.897 11.510 -1.513
54 HG23 THR 8 HG23 THR 8 4.348 10.448 -2.819
55 H SER 9 H SER 9 7.481 7.370 -2.949
56 HA SER 9 HA SER 9 10.376 7.437 -3.683
57 HB2 SER 9 HB2 SER 9 9.989 7.837 -1.224
58 HB3 SER 9 HB3 SER 9 9.277 6.221 -1.135
59 HG SER 9 HG SER 9 11.587 6.339 -0.625
60 H ILE 10 H ILE 10 10.835 4.785 -2.855
61 HA ILE 10 HA ILE 10 9.100 3.147 -4.700
62 HB ILE 10 HB ILE 10 11.946 2.643 -3.730
63 HG12 ILE 10 HG12 ILE 10 10.838 3.342 -6.491
64 HG13 ILE 10 HG13 ILE 10 11.805 4.395 -5.460
65 HG21 ILE 10 HG21 ILE 10 11.837 0.630 -5.197
66 HG22 ILE 10 HG22 ILE 10 10.638 0.538 -3.929
67 HG23 ILE 10 HG23 ILE 10 10.133 1.002 -5.564
68 HD11 ILE 10 HD11 ILE 10 12.768 1.870 -6.847
69 HD12 ILE 10 HD12 ILE 10 13.252 3.543 -7.146
70 HD13 ILE 10 HD13 ILE 10 13.704 2.752 -5.618
71 H CYS 11 HN CYS 11 7.576 2.062 -3.619
72 HA CYS 11 HA CYS 11 8.030 1.180 -0.808
73 HB2 CYS 11 HB2 CYS 11 5.707 0.679 -0.735
74 HB3 CYS 11 HB3 CYS 11 5.919 2.304 -1.376
75 H SER 12 H SER 12 7.713 -1.067 -0.227
76 HA SER 12 HA SER 12 9.090 -2.803 -2.186
77 HB2 SER 12 HB2 SER 12 9.781 -2.798 0.168
78 HB3 SER 12 HB3 SER 12 8.176 -3.363 0.656
79 HG SER 12 HG SER 12 9.853 -5.039 0.384
80 H LEU 13 H LEU 13 8.340 -4.846 -2.932
81 HA LEU 13 HA LEU 13 5.540 -5.131 -3.581
82 HB2 LEU 13 HB2 LEU 13 7.730 -7.243 -3.465
83 HB3 LEU 13 HB3 LEU 13 6.177 -7.396 -4.279
84 HG LEU 13 HG LEU 13 8.421 -5.471 -5.070
85 HD11 LEU 13 HD11 LEU 13 8.887 -7.851 -5.560
86 HD12 LEU 13 HD12 LEU 13 8.624 -6.926 -7.046
87 HD13 LEU 13 HD13 LEU 13 7.340 -7.984 -6.423
88 HD21 LEU 13 HD21 LEU 13 7.031 -5.069 -7.113
89 HD22 LEU 13 HD22 LEU 13 6.287 -4.443 -5.640
90 HD23 LEU 13 HD23 LEU 13 5.696 -5.960 -6.357
91 H TYR 14 H TYR 14 7.507 -6.216 -0.827
92 HA TYR 14 HA TYR 14 5.543 -7.908 0.409
93 HB2 TYR 14 HB2 TYR 14 7.953 -7.877 0.957
94 HB3 TYR 14 HB3 TYR 14 7.806 -6.240 1.580
95 HD1 TYR 14 HD1 TYR 14 6.476 -9.725 2.075
96 HD2 TYR 14 HD2 TYR 14 7.318 -5.893 3.874
97 HE1 TYR 14 HE1 TYR 14 5.913 -10.658 4.308
98 HE2 TYR 14 HE2 TYR 14 6.756 -6.825 6.113
99 HH TYR 14 HH TYR 14 5.744 -10.242 6.561
100 H GLN 15 H GLN 15 5.809 -4.397 0.246
101 HA GLN 15 HA GLN 15 3.822 -3.940 2.406
102 HB2 GLN 15 HB2 GLN 15 5.136 -2.019 0.433
103 HB3 GLN 15 HB3 GLN 15 3.992 -1.564 1.692
104 HG2 GLN 15 HG2 GLN 15 5.516 -2.350 3.448
105 HG3 GLN 15 HG3 GLN 15 6.682 -2.891 2.247
106 HE21 GLN 15 HE21 GLN 15 5.803 -0.214 4.197
107 HE22 GLN 15 HE22 GLN 15 6.690 1.016 3.302
108 H LEU 16 H LEU 16 3.991 -3.877 -1.208
109 HA LEU 16 HA LEU 16 1.245 -3.212 -1.653
110 HB2 LEU 16 HB2 LEU 16 3.083 -5.039 -3.263
111 HB3 LEU 16 HB3 LEU 16 1.539 -4.431 -3.817
112 HG LEU 16 HG LEU 16 4.060 -2.820 -3.276
113 HD11 LEU 16 HD11 LEU 16 3.976 -4.115 -5.391
114 HD12 LEU 16 HD12 LEU 16 3.970 -2.369 -5.679
115 HD13 LEU 16 HD13 LEU 16 2.464 -3.302 -5.827
116 HD21 LEU 16 HD21 LEU 16 2.803 -0.858 -4.164
117 HD22 LEU 16 HD22 LEU 16 2.205 -1.396 -2.590
118 HD23 LEU 16 HD23 LEU 16 1.303 -1.801 -4.076
119 H GLU 17 H GLU 17 2.715 -6.420 -1.082
120 HA GLU 17 HA GLU 17 0.332 -7.958 -1.203
121 HB2 GLU 17 HB2 GLU 17 2.910 -8.366 0.336
122 HB3 GLU 17 HB3 GLU 17 1.591 -9.547 0.323
123 HG2 GLU 17 HG2 GLU 17 1.687 -9.642 -2.152
124 HG3 GLU 17 HG3 GLU 17 3.093 -8.584 -2.136
125 H ASN 18 H ASN 18 1.124 -5.637 1.300
126 HA ASN 18 HA ASN 18 -0.411 -6.901 3.412
127 HB2 ASN 18 HB2 ASN 18 1.396 -5.190 3.732
128 HB3 ASN 18 HB3 ASN 18 0.297 -3.976 3.057
129 HD21 ASN 18 HD21 ASN 18 0.528 -6.427 5.706
130 HD22 ASN 18 HD22 ASN 18 -0.456 -5.502 6.825
131 H TYR 19 H TYR 19 -1.278 -5.005 0.601
132 HA TYR 19 HA TYR 19 -3.971 -4.304 1.635
133 HB2 TYR 19 HB2 TYR 19 -2.548 -3.620 -0.957
134 HB3 TYR 19 HB3 TYR 19 -4.110 -2.993 -0.451
135 HD1 TYR 19 HD1 TYR 19 -0.468 -2.839 0.119
136 HD2 TYR 19 HD2 TYR 19 -4.305 -1.297 1.316
137 HE1 TYR 19 HE1 TYR 19 0.667 -0.987 1.312
138 HE2 TYR 19 HE2 TYR 19 -3.180 0.574 2.505
139 HH TYR 19 HH TYR 19 -1.182 1.590 3.020
140 H CYS 20 HN CYS 20 -2.720 -7.029 0.192
141 HA CYS 20 HA CYS 20 -4.767 -7.650 -1.765
142 HB2 CYS 20 HB2 CYS 20 -2.853 -9.441 -0.227
143 HB3 CYS 20 HB3 CYS 20 -3.776 -9.915 -1.648
144 H ASN 21 H ASN 21 -6.661 -8.627 -1.577
145 HA ASN 21 HA ASN 21 -7.842 -10.212 0.351
146 HB2 ASN 21 HB2 ASN 21 -9.290 -8.545 1.589
147 HB3 ASN 21 HB3 ASN 21 -7.627 -8.630 2.120
148 HD21 ASN 21 HD21 ASN 21 -8.870 -6.815 -0.722
149 HD22 ASN 21 HD22 ASN 21 -8.452 -5.232 -0.045
150 H1 PHE 1 H1 PHE 1 17.227 -6.807 -3.501
151 H2 PHE 1 H2 PHE 1 18.085 -6.132 -4.714
152 H3 PHE 1 H3 PHE 1 17.835 -7.751 -4.700
153 HA PHE 1 HA PHE 1 16.426 -6.688 -6.323
154 HB2 PHE 1 HB2 PHE 1 14.838 -7.778 -3.962
155 HB3 PHE 1 HB3 PHE 1 14.279 -7.662 -5.624
156 HD1 PHE 1 HD1 PHE 1 15.643 -8.960 -7.455
157 HD2 PHE 1 HD2 PHE 1 15.888 -9.775 -3.217
158 HE1 PHE 1 HE1 PHE 1 16.551 -11.216 -7.935
159 HE2 PHE 1 HE2 PHE 1 16.796 -12.033 -3.713
160 HZ PHE 1 HZ PHE 1 17.126 -12.757 -6.073
161 H VAL 2 H VAL 2 14.530 -5.251 -6.720
162 HA VAL 2 HA VAL 2 13.671 -3.389 -4.683
163 HB VAL 2 HB VAL 2 15.944 -2.492 -5.219
164 HG11 VAL 2 HG11 VAL 2 14.810 -1.800 -7.957
165 HG12 VAL 2 HG12 VAL 2 16.393 -1.329 -7.300
166 HG13 VAL 2 HG13 VAL 2 16.051 -3.034 -7.636
167 HG21 VAL 2 HG21 VAL 2 14.149 -1.042 -4.329
168 HG22 VAL 2 HG22 VAL 2 15.334 -0.176 -5.324
169 HG23 VAL 2 HG23 VAL 2 13.739 -0.567 -5.993
170 H ASN 3 H ASN 3 11.888 -2.220 -5.252
171 HA ASN 3 HA ASN 3 10.435 -3.012 -7.698
172 HB2 ASN 3 HB2 ASN 3 9.464 -3.093 -5.372
173 HB3 ASN 3 HB3 ASN 3 9.584 -1.343 -5.310
174 HD21 ASN 3 HD21 ASN 3 7.256 -1.409 -4.900
175 HD22 ASN 3 HD22 ASN 3 6.150 -1.584 -6.259
176 H GLN 4 H GLN 4 8.883 -0.559 -7.965
177 HA GLN 4 HA GLN 4 10.817 1.590 -8.681
178 HB2 GLN 4 HB2 GLN 4 8.711 0.251 -10.435
179 HB3 GLN 4 HB3 GLN 4 9.290 1.875 -10.784
180 HG2 GLN 4 HG2 GLN 4 11.041 -0.609 -10.656
181 HG3 GLN 4 HG3 GLN 4 10.439 0.144 -12.127
182 HE21 GLN 4 HE21 GLN 4 13.173 -0.189 -11.923
183 HE22 GLN 4 HE22 GLN 4 13.925 1.372 -11.634
184 H HIS 5 H HIS 5 9.493 3.633 -9.300
185 HA HIS 5 HA HIS 5 7.574 4.281 -7.184
186 HB2 HIS 5 HB2 HIS 5 8.460 5.764 -9.706
187 HB3 HIS 5 HB3 HIS 5 7.321 6.390 -8.530
188 HD1 HIS 5 HD1 HIS 5 8.361 7.918 -6.762
189 HD2 HIS 5 HD2 HIS 5 11.076 5.219 -8.508
190 HE1 HIS 5 HE1 HIS 5 10.661 8.542 -5.874
191 H LEU 6 H LEU 6 5.417 4.148 -7.286
192 HA LEU 6 HA LEU 6 3.997 3.479 -9.845
193 HB2 LEU 6 HB2 LEU 6 3.789 2.215 -7.080
194 HB3 LEU 6 HB3 LEU 6 2.623 1.935 -8.361
195 HG LEU 6 HG LEU 6 5.570 1.201 -8.599
196 HD11 LEU 6 HD11 LEU 6 3.170 -0.499 -7.800
197 HD12 LEU 6 HD12 LEU 6 4.540 -0.045 -6.769
198 HD13 LEU 6 HD13 LEU 6 4.802 -1.113 -8.155
199 HD21 LEU 6 HD21 LEU 6 3.121 0.428 -10.257
200 HD22 LEU 6 HD22 LEU 6 4.767 -0.215 -10.461
201 HD23 LEU 6 HD23 LEU 6 4.442 1.489 -10.784
202 H CYS 7 HN CYS 7 2.466 4.968 -10.228
203 HA CYS 7 HA CYS 7 1.105 6.373 -7.959
204 HB2 CYS 7 HB2 CYS 7 2.692 7.442 -10.082
205 HB3 CYS 7 HB3 CYS 7 1.031 7.807 -10.482
206 H GLY 8 H GLY 8 -1.105 6.569 -8.001
207 HA2 GLY 8 HA2 GLY 8 -3.302 6.182 -8.570
208 HA3 GLY 8 HA3 GLY 8 -2.766 6.740 -10.150
209 H SER 9 H SER 9 -3.654 5.510 -11.656
210 HA SER 9 HA SER 9 -4.633 2.895 -11.449
211 HB2 SER 9 HB2 SER 9 -3.560 4.297 -13.924
212 HB3 SER 9 HB3 SER 9 -4.708 2.943 -13.879
213 HG SER 9 HG SER 9 -5.772 4.988 -14.093
214 H HIS 10 H HIS 10 -1.243 3.886 -12.108
215 HA HIS 10 HA HIS 10 -0.371 1.292 -13.060
216 HB2 HIS 10 HB2 HIS 10 1.301 3.441 -11.696
217 HB3 HIS 10 HB3 HIS 10 1.833 2.212 -12.829
218 HD1 HIS 10 HD1 HIS 10 0.384 5.689 -12.717
219 HD2 HIS 10 HD2 HIS 10 1.107 2.614 -15.499
220 HE1 HIS 10 HE1 HIS 10 0.194 6.757 -15.034
221 H LEU 11 H LEU 11 -0.466 2.872 -9.857
222 HA LEU 11 HA LEU 11 0.736 0.692 -8.390
223 HB2 LEU 11 HB2 LEU 11 0.667 3.030 -7.578
224 HB3 LEU 11 HB3 LEU 11 -1.080 3.004 -7.548
225 HG LEU 11 HG LEU 11 -1.100 1.366 -5.737
226 HD11 LEU 11 HD11 LEU 11 1.948 1.503 -5.837
227 HD12 LEU 11 HD12 LEU 11 0.950 0.073 -6.179
228 HD13 LEU 11 HD13 LEU 11 0.989 0.756 -4.552
229 HD21 LEU 11 HD21 LEU 11 -0.103 2.843 -3.995
230 HD22 LEU 11 HD22 LEU 11 -1.037 3.741 -5.208
231 HD23 LEU 11 HD23 LEU 11 0.738 3.748 -5.260
232 H VAL 12 H VAL 12 -2.636 1.578 -9.096
233 HA VAL 12 HA VAL 12 -3.909 -0.597 -7.756
234 HB VAL 12 HB VAL 12 -4.724 1.072 -10.145
235 HG11 VAL 12 HG11 VAL 12 -5.946 -1.020 -10.470
236 HG12 VAL 12 HG12 VAL 12 -6.445 -1.031 -8.766
237 HG13 VAL 12 HG13 VAL 12 -7.044 0.221 -9.870
238 HG21 VAL 12 HG21 VAL 12 -5.756 0.971 -7.280
239 HG22 VAL 12 HG22 VAL 12 -4.619 2.174 -7.911
240 HG23 VAL 12 HG23 VAL 12 -6.269 2.106 -8.548
241 H GLU 13 H GLU 13 -2.746 -0.391 -11.191
242 HA GLU 13 HA GLU 13 -3.461 -3.056 -11.898
243 HB2 GLU 13 HB2 GLU 13 -2.826 -1.117 -13.433
244 HB3 GLU 13 HB3 GLU 13 -1.143 -1.395 -12.983
245 HG2 GLU 13 HG2 GLU 13 -1.412 -2.481 -15.037
246 HG3 GLU 13 HG3 GLU 13 -1.465 -3.800 -13.875
247 H ALA 14 H ALA 14 -0.362 -1.733 -10.568
248 HA ALA 14 HA ALA 14 1.089 -4.178 -10.548
249 HB1 ALA 14 HB1 ALA 14 2.114 -1.947 -10.220
250 HB2 ALA 14 HB2 ALA 14 1.270 -1.783 -8.659
251 HB3 ALA 14 HB3 ALA 14 2.506 -3.036 -8.878
252 H LEU 15 H LEU 15 -1.067 -2.750 -8.051
253 HA LEU 15 HA LEU 15 -0.788 -4.849 -6.124
254 HB2 LEU 15 HB2 LEU 15 -2.939 -2.781 -6.717
255 HB3 LEU 15 HB3 LEU 15 -3.135 -3.964 -5.436
256 HG LEU 15 HG LEU 15 -0.605 -2.308 -5.556
257 HD11 LEU 15 HD11 LEU 15 -1.490 -0.569 -4.268
258 HD12 LEU 15 HD12 LEU 15 -3.034 -1.385 -3.995
259 HD13 LEU 15 HD13 LEU 15 -2.627 -0.749 -5.604
260 HD21 LEU 15 HD21 LEU 15 -0.654 -2.710 -3.097
261 HD22 LEU 15 HD22 LEU 15 -0.723 -4.242 -3.991
262 HD23 LEU 15 HD23 LEU 15 -2.192 -3.582 -3.271
263 H TYR 16 H TYR 16 -3.183 -4.549 -8.836
264 HA TYR 16 HA TYR 16 -4.507 -7.016 -8.261
265 HB2 TYR 16 HB2 TYR 16 -4.133 -5.360 -10.762
266 HB3 TYR 16 HB3 TYR 16 -4.829 -6.969 -10.885
267 HD1 TYR 16 HD1 TYR 16 -6.717 -7.531 -9.091
268 HD2 TYR 16 HD2 TYR 16 -5.725 -3.607 -10.567
269 HE1 TYR 16 HE1 TYR 16 -8.976 -6.723 -8.437
270 HE2 TYR 16 HE2 TYR 16 -7.985 -2.788 -9.919
271 HH TYR 16 HH TYR 16 -10.399 -4.914 -8.316
272 H LEU 17 H LEU 17 -1.605 -6.444 -10.305
273 HA LEU 17 HA LEU 17 -1.270 -9.239 -10.996
274 HB2 LEU 17 HB2 LEU 17 0.403 -6.726 -11.231
275 HB3 LEU 17 HB3 LEU 17 1.187 -8.287 -11.394
276 HG LEU 17 HG LEU 17 -0.332 -8.962 -13.187
277 HD11 LEU 17 HD11 LEU 17 -2.348 -7.619 -12.712
278 HD12 LEU 17 HD12 LEU 17 -1.778 -7.365 -14.361
279 HD13 LEU 17 HD13 LEU 17 -1.458 -6.140 -13.124
280 HD21 LEU 17 HD21 LEU 17 0.616 -7.483 -14.919
281 HD22 LEU 17 HD22 LEU 17 1.824 -7.887 -13.697
282 HD23 LEU 17 HD23 LEU 17 1.047 -6.285 -13.682
283 H VAL 18 H VAL 18 0.199 -7.260 -8.397
284 HA VAL 18 HA VAL 18 1.907 -9.325 -7.398
285 HB VAL 18 HB VAL 18 0.804 -6.784 -6.166
286 HG11 VAL 18 HG11 VAL 18 2.674 -8.774 -4.811
287 HG12 VAL 18 HG12 VAL 18 2.448 -7.086 -4.304
288 HG13 VAL 18 HG13 VAL 18 1.090 -8.208 -4.216
289 HG21 VAL 18 HG21 VAL 18 2.609 -6.692 -7.951
290 HG22 VAL 18 HG22 VAL 18 3.119 -6.035 -6.392
291 HG23 VAL 18 HG23 VAL 18 3.645 -7.657 -6.896
292 H CYS 19 HN CYS 19 -1.461 -8.413 -6.420
293 HA CYS 19 HA CYS 19 -1.579 -10.378 -4.304
294 HB2 CYS 19 HB2 CYS 19 -3.781 -8.896 -5.791
295 HB3 CYS 19 HB3 CYS 19 -3.996 -9.840 -4.319
296 H GLY 20 H GLY 20 -2.807 -10.412 -7.669
297 HA2 GLY 20 HA2 GLY 20 -3.444 -12.162 -9.048
298 HA3 GLY 20 HA3 GLY 20 -2.499 -13.225 -7.996
299 H GLU 21 H GLU 21 -3.732 -14.913 -7.528
300 HA GLU 21 HA GLU 21 -6.547 -15.055 -7.505
301 HB2 GLU 21 HB2 GLU 21 -4.873 -16.907 -7.797
302 HB3 GLU 21 HB3 GLU 21 -4.578 -16.871 -6.053
303 HG2 GLU 21 HG2 GLU 21 -6.928 -17.511 -5.634
304 HG3 GLU 21 HG3 GLU 21 -7.283 -17.413 -7.361
305 H ARG 22 H ARG 22 -4.430 -13.925 -4.954
306 HA ARG 22 HA ARG 22 -6.160 -14.370 -2.695
307 HB2 ARG 22 HB2 ARG 22 -3.963 -12.311 -3.143
308 HB3 ARG 22 HB3 ARG 22 -4.717 -12.665 -1.591
309 HG2 ARG 22 HG2 ARG 22 -3.953 -14.974 -1.643
310 HG3 ARG 22 HG3 ARG 22 -3.227 -14.775 -3.238
311 HD2 ARG 22 HD2 ARG 22 -2.393 -13.156 -0.799
312 HD3 ARG 22 HD3 ARG 22 -1.640 -14.688 -1.286
313 HE ARG 22 HE ARG 22 -1.631 -12.952 -3.543
314 HH11 ARG 22 HH21 ARG 22 0.007 -13.263 -0.375
315 HH12 ARG 22 HH22 ARG 22 1.475 -12.539 -1.030
316 HH21 ARG 22 HH11 ARG 22 0.417 -12.012 -4.193
317 HH22 ARG 22 HH12 ARG 22 1.677 -11.926 -2.972
318 H GLY 23 H GLY 23 -6.431 -12.111 -5.277
319 HA2 GLY 23 HA2 GLY 23 -8.153 -10.628 -5.736
320 HA3 GLY 23 HA3 GLY 23 -8.797 -10.835 -4.101
321 H PHE 24 H PHE 24 -8.704 -8.401 -5.416
322 HA PHE 24 HA PHE 24 -7.335 -6.784 -3.453
323 HB2 PHE 24 HB2 PHE 24 -5.450 -7.123 -4.974
324 HB3 PHE 24 HB3 PHE 24 -6.445 -6.712 -6.361
325 HD1 PHE 24 HD2 PHE 24 -5.268 -5.253 -3.097
326 HD2 PHE 24 HD1 PHE 24 -6.474 -4.507 -7.168
327 HE1 PHE 24 HE2 PHE 24 -4.893 -2.822 -2.770
328 HE2 PHE 24 HE1 PHE 24 -6.088 -2.083 -6.838
329 HZ PHE 24 HZ PHE 24 -5.327 -1.233 -4.639
330 H PHE 25 H PHE 25 -8.071 -4.755 -3.311
331 HA PHE 25 HA PHE 25 -9.272 -3.172 -5.230
332 HB2 PHE 25 HB2 PHE 25 -11.298 -4.567 -5.088
333 HB3 PHE 25 HB3 PHE 25 -11.365 -4.333 -3.346
334 HD1 PHE 25 HD2 PHE 25 -11.489 -2.540 -6.633
335 HD2 PHE 25 HD1 PHE 25 -12.461 -2.395 -2.432
336 HE1 PHE 25 HE2 PHE 25 -12.797 -0.458 -7.007
337 HE2 PHE 25 HE1 PHE 25 -13.759 -0.307 -2.807
338 HZ PHE 25 HZ PHE 25 -13.935 0.660 -5.093
339 H TYR 26 H TYR 26 -8.401 -1.335 -4.579
340 HA TYR 26 HA TYR 26 -9.080 -0.020 -2.114
341 HB2 TYR 26 HB2 TYR 26 -7.275 -1.615 -1.326
342 HB3 TYR 26 HB3 TYR 26 -6.179 -0.843 -2.458
343 HD1 TYR 26 HD1 TYR 26 -8.632 0.309 0.195
344 HD2 TYR 26 HD2 TYR 26 -4.641 0.527 -1.434
345 HE1 TYR 26 HE1 TYR 26 -7.969 1.863 2.024
346 HE2 TYR 26 HE2 TYR 26 -3.980 2.055 0.402
347 HH TYR 26 HH TYR 26 -4.597 3.066 2.353
348 H THR 27 H THR 27 -8.661 2.206 -2.226
349 HA THR 27 HA THR 27 -8.087 3.148 -4.964
350 HB THR 27 HB THR 27 -9.336 5.212 -4.086
351 HG1 THR 27 HG1 THR 27 -10.742 4.577 -2.290
352 HG21 THR 27 HG21 THR 27 -10.336 3.513 -5.595
353 HG22 THR 27 HG22 THR 27 -11.510 4.142 -4.436
354 HG23 THR 27 HG23 THR 27 -10.797 2.530 -4.184
355 HA PRO 28 HA PRO 28 -4.523 5.385 -3.292
356 HB2 PRO 28 HB2 PRO 28 -3.379 6.213 -5.587
357 HB3 PRO 28 HB3 PRO 28 -3.424 4.474 -5.148
358 HG2 PRO 28 HG2 PRO 28 -5.288 5.989 -7.003
359 HG3 PRO 28 HG3 PRO 28 -4.468 4.426 -7.295
360 HD2 PRO 28 HD2 PRO 28 -7.070 4.630 -6.377
361 HD3 PRO 28 HD3 PRO 28 -5.989 3.262 -5.958
362 H LYS 29 H LYS 29 -4.013 7.531 -2.857
363 HA LYS 29 HA LYS 29 -6.044 9.478 -2.927
364 HB2 LYS 29 HB2 LYS 29 -4.082 9.175 -1.338
365 HB3 LYS 29 HB3 LYS 29 -3.052 9.937 -2.551
366 HG2 LYS 29 HG2 LYS 29 -4.388 12.010 -2.407
367 HG3 LYS 29 HG3 LYS 29 -5.508 11.221 -1.278
368 HD2 LYS 29 HD2 LYS 29 -3.661 10.929 0.353
369 HD3 LYS 29 HD3 LYS 29 -2.537 11.724 -0.782
370 HE2 LYS 29 HE2 LYS 29 -3.948 13.781 -0.712
371 HE3 LYS 29 HE3 LYS 29 -5.066 12.976 0.400
372 HZ1 LYS 29 HZ1 LYS 29 -3.253 12.834 2.018
373 HZ2 LYS 29 HZ2 LYS 29 -3.507 14.390 1.586
374 HZ3 LYS 29 HZ3 LYS 29 -2.219 13.574 0.990
375 H THR 30 H THR 30 -3.803 8.717 -5.434
376 HA THR 30 HA THR 30 -3.510 11.111 -6.904
377 HB THR 30 HB THR 30 -3.905 8.353 -8.114
378 HG1 THR 30 HG1 THR 30 -1.557 9.442 -6.958
379 HG21 THR 30 HG21 THR 30 -2.105 9.109 -9.658
380 HG22 THR 30 HG22 THR 30 -2.138 10.710 -8.887
381 HG23 THR 30 HG23 THR 30 -3.554 10.113 -9.779
382 H LYS 31 H LYS 31 -6.201 8.759 -6.929
383 HA LYS 31 HA LYS 31 -7.802 10.666 -8.572
384 HB2 LYS 31 HB2 LYS 31 -8.427 8.961 -10.125
385 HB3 LYS 31 HB3 LYS 31 -6.672 9.026 -10.028
386 HG2 LYS 31 HG2 LYS 31 -6.752 7.019 -8.479
387 HG3 LYS 31 HG3 LYS 31 -8.503 6.936 -8.774
388 HD2 LYS 31 HD2 LYS 31 -7.993 6.741 -11.262
389 HD3 LYS 31 HD3 LYS 31 -6.278 6.738 -10.860
390 HE2 LYS 31 HE2 LYS 31 -6.845 4.471 -11.167
391 HE3 LYS 31 HE3 LYS 31 -6.684 4.680 -9.424
392 HZ1 LYS 31 HZ1 LYS 31 -8.683 3.416 -10.037
393 HZ2 LYS 31 HZ2 LYS 31 -9.250 4.653 -10.935
394 HZ3 LYS 31 HZ3 LYS 31 -9.134 4.801 -9.306
395 H ARG 32 H ARG 32 -7.838 9.043 -5.714
396 HA ARG 32 HA ARG 32 -10.631 8.343 -5.434
397 HB2 ARG 32 HB2 ARG 32 -8.895 7.539 -3.895
398 HB3 ARG 32 HB3 ARG 32 -8.495 9.186 -3.424
399 HG2 ARG 32 HG2 ARG 32 -9.741 8.084 -1.685
400 HG3 ARG 32 HG3 ARG 32 -10.674 9.435 -2.300
401 HD2 ARG 32 HD2 ARG 32 -11.141 6.565 -3.211
402 HD3 ARG 32 HD3 ARG 32 -11.909 7.259 -1.769
403 HE ARG 32 HE ARG 32 -12.326 8.983 -4.019
404 HH11 ARG 32 HH11 ARG 32 -13.571 5.941 -2.778
405 HH12 ARG 32 HH12 ARG 32 -15.075 6.125 -3.646
406 HH21 ARG 32 HH21 ARG 32 -14.183 9.152 -5.053
407 HH22 ARG 32 HH22 ARG 32 -15.417 7.922 -4.913
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 -2.678 5.661 4.334
2 H2 GLY 1 2H GLY 1 -1.302 6.363 3.781
3 H3 GLY 1 3H GLY 1 -1.325 4.758 4.128
4 HA2 GLY 1 HA2 GLY 1 -2.875 4.326 2.341
5 HA3 GLY 1 HA3 GLY 1 -2.879 6.060 1.981
6 H ILE 2 H ILE 2 -1.507 3.121 1.102
7 HA ILE 2 HA ILE 2 1.223 3.647 0.887
8 HB ILE 2 HB ILE 2 0.281 1.463 0.865
9 HG12 ILE 2 HG12 ILE 2 1.720 1.734 -1.771
10 HG13 ILE 2 HG13 ILE 2 2.541 1.983 -0.222
11 HG21 ILE 2 HG21 ILE 2 -0.809 0.446 -1.119
12 HG22 ILE 2 HG22 ILE 2 -1.746 1.769 -0.460
13 HG23 ILE 2 HG23 ILE 2 -0.780 2.019 -1.933
14 HD11 ILE 2 HD11 ILE 2 1.166 -0.593 -1.093
15 HD12 ILE 2 HD12 ILE 2 2.905 -0.297 -0.977
16 HD13 ILE 2 HD13 ILE 2 1.904 -0.303 0.490
17 H VAL 3 H VAL 3 -1.181 4.666 -1.533
18 HA VAL 3 HA VAL 3 0.684 5.241 -3.593
19 HB VAL 3 HB VAL 3 -1.839 5.298 -3.776
20 HG11 VAL 3 HG11 VAL 3 -3.034 7.374 -3.501
21 HG12 VAL 3 HG12 VAL 3 -2.289 6.979 -1.936
22 HG13 VAL 3 HG13 VAL 3 -1.586 8.232 -2.973
23 HG21 VAL 3 HG21 VAL 3 -0.442 7.681 -5.044
24 HG22 VAL 3 HG22 VAL 3 -0.257 6.007 -5.606
25 HG23 VAL 3 HG23 VAL 3 -1.837 6.801 -5.665
26 H GLU 4 H GLU 4 -0.080 7.114 -0.686
27 HA GLU 4 HA GLU 4 1.293 9.514 -1.486
28 HB2 GLU 4 HB2 GLU 4 -0.523 9.234 0.267
29 HB3 GLU 4 HB3 GLU 4 0.694 8.522 1.330
30 HG2 GLU 4 HG2 GLU 4 1.953 10.642 1.330
31 HG3 GLU 4 HG3 GLU 4 0.850 11.326 0.135
32 H GLN 5 H GLN 5 2.522 6.440 -0.539
33 HA GLN 5 HA GLN 5 5.201 7.612 0.107
34 HB2 GLN 5 HB2 GLN 5 4.268 5.968 1.730
35 HB3 GLN 5 HB3 GLN 5 4.217 4.745 0.452
36 HG2 GLN 5 HG2 GLN 5 6.668 4.872 0.193
37 HG3 GLN 5 HG3 GLN 5 6.746 6.213 1.349
38 HE21 GLN 5 HE21 GLN 5 5.987 5.723 3.669
39 HE22 GLN 5 HE22 GLN 5 6.286 4.091 4.234
40 H CYS 6 HN CYS 6 3.717 4.991 -1.933
41 HA CYS 6 HA CYS 6 6.076 4.330 -3.320
42 HB2 CYS 6 HB2 CYS 6 3.150 4.160 -4.107
43 HB3 CYS 6 HB3 CYS 6 4.450 3.492 -5.082
44 H CYS 7 HN CYS 7 3.901 7.063 -4.057
45 HA CYS 7 HA CYS 7 4.807 7.456 -6.772
46 HB2 CYS 7 HB2 CYS 7 3.462 9.276 -4.758
47 HB3 CYS 7 HB3 CYS 7 3.841 9.782 -6.401
48 H THR 8 H THR 8 6.142 8.535 -3.692
49 HA THR 8 HA THR 8 8.129 10.311 -5.096
50 HB THR 8 HB THR 8 8.129 11.608 -2.949
51 HG1 THR 8 HG1 THR 8 6.363 11.242 -1.558
52 HG21 THR 8 HG21 THR 8 6.049 12.805 -3.378
53 HG22 THR 8 HG22 THR 8 5.398 11.432 -4.308
54 HG23 THR 8 HG23 THR 8 6.792 12.347 -4.917
55 H SER 9 H SER 9 7.680 7.990 -2.451
56 HA SER 9 HA SER 9 10.650 7.719 -2.160
57 HB2 SER 9 HB2 SER 9 8.393 6.652 -0.421
58 HB3 SER 9 HB3 SER 9 10.121 6.430 -0.123
59 HG SER 9 HG SER 9 8.784 8.959 -0.249
60 H ILE 10 H ILE 10 11.412 5.435 -1.915
61 HA ILE 10 HA ILE 10 10.232 3.747 -4.036
62 HB ILE 10 HB ILE 10 12.673 4.207 -3.887
63 HG12 ILE 10 HG12 ILE 10 11.964 1.256 -3.714
64 HG13 ILE 10 HG13 ILE 10 11.625 2.308 -5.092
65 HG21 ILE 10 HG21 ILE 10 12.927 4.045 -1.394
66 HG22 ILE 10 HG22 ILE 10 12.740 2.282 -1.530
67 HG23 ILE 10 HG23 ILE 10 14.111 3.109 -2.298
68 HD11 ILE 10 HD11 ILE 10 13.637 1.066 -5.553
69 HD12 ILE 10 HD12 ILE 10 14.029 2.785 -5.378
70 HD13 ILE 10 HD13 ILE 10 14.400 1.642 -4.058
71 H CYS 11 HN CYS 11 9.021 1.947 -3.702
72 HA CYS 11 HA CYS 11 8.555 1.034 -0.894
73 HB2 CYS 11 HB2 CYS 11 6.235 1.065 -1.190
74 HB3 CYS 11 HB3 CYS 11 6.804 2.630 -1.745
75 H SER 12 H SER 12 7.379 -1.077 -0.835
76 HA SER 12 HA SER 12 8.794 -2.932 -2.741
77 HB2 SER 12 HB2 SER 12 9.697 -2.857 -0.467
78 HB3 SER 12 HB3 SER 12 8.112 -3.272 0.194
79 HG SER 12 HG SER 12 9.636 -5.070 -0.116
80 H LEU 13 H LEU 13 7.905 -4.904 -3.364
81 HA LEU 13 HA LEU 13 5.051 -5.156 -3.714
82 HB2 LEU 13 HB2 LEU 13 7.462 -6.973 -4.018
83 HB3 LEU 13 HB3 LEU 13 5.849 -7.668 -4.030
84 HG LEU 13 HG LEU 13 5.146 -6.388 -5.909
85 HD11 LEU 13 HD11 LEU 13 6.648 -4.994 -7.266
86 HD12 LEU 13 HD12 LEU 13 7.896 -5.118 -6.020
87 HD13 LEU 13 HD13 LEU 13 6.371 -4.280 -5.679
88 HD21 LEU 13 HD21 LEU 13 6.575 -7.415 -7.632
89 HD22 LEU 13 HD22 LEU 13 6.268 -8.532 -6.298
90 HD23 LEU 13 HD23 LEU 13 7.838 -7.711 -6.408
91 H TYR 14 H TYR 14 7.200 -6.093 -1.058
92 HA TYR 14 HA TYR 14 5.357 -7.757 0.363
93 HB2 TYR 14 HB2 TYR 14 7.765 -7.547 0.891
94 HB3 TYR 14 HB3 TYR 14 7.526 -5.865 1.369
95 HD1 TYR 14 HD2 TYR 14 6.590 -9.388 2.212
96 HD2 TYR 14 HD1 TYR 14 6.834 -5.314 3.599
97 HE1 TYR 14 HE2 TYR 14 6.051 -10.143 4.521
98 HE2 TYR 14 HE1 TYR 14 6.277 -6.059 5.902
99 HH TYR 14 HH TYR 14 5.798 -7.847 7.267
100 H GLN 15 H GLN 15 5.528 -4.247 0.005
101 HA GLN 15 HA GLN 15 3.565 -3.706 2.149
102 HB2 GLN 15 HB2 GLN 15 4.765 -1.863 0.045
103 HB3 GLN 15 HB3 GLN 15 3.756 -1.378 1.392
104 HG2 GLN 15 HG2 GLN 15 5.421 -2.080 3.017
105 HG3 GLN 15 HG3 GLN 15 6.471 -2.717 1.745
106 HE21 GLN 15 HE21 GLN 15 5.313 0.264 3.309
107 HE22 GLN 15 HE22 GLN 15 6.354 1.340 2.386
108 H LEU 16 H LEU 16 3.653 -3.935 -1.434
109 HA LEU 16 HA LEU 16 0.901 -3.238 -1.906
110 HB2 LEU 16 HB2 LEU 16 2.673 -5.237 -3.396
111 HB3 LEU 16 HB3 LEU 16 1.163 -4.572 -3.977
112 HG LEU 16 HG LEU 16 3.740 -3.020 -3.490
113 HD11 LEU 16 HD11 LEU 16 3.749 -2.782 -5.939
114 HD12 LEU 16 HD12 LEU 16 2.275 -3.764 -6.057
115 HD13 LEU 16 HD13 LEU 16 3.790 -4.483 -5.476
116 HD21 LEU 16 HD21 LEU 16 1.811 -1.547 -3.068
117 HD22 LEU 16 HD22 LEU 16 1.100 -2.022 -4.622
118 HD23 LEU 16 HD23 LEU 16 2.629 -1.111 -4.567
119 H GLU 17 H GLU 17 2.389 -6.405 -1.143
120 HA GLU 17 HA GLU 17 -0.114 -7.821 -0.956
121 HB2 GLU 17 HB2 GLU 17 2.625 -8.395 0.239
122 HB3 GLU 17 HB3 GLU 17 1.228 -9.470 0.379
123 HG2 GLU 17 HG2 GLU 17 1.063 -9.484 -2.135
124 HG3 GLU 17 HG3 GLU 17 2.610 -8.635 -2.202
125 H ASN 18 H ASN 18 1.709 -5.914 1.511
126 HA ASN 18 HA ASN 18 0.114 -6.739 3.741
127 HB2 ASN 18 HB2 ASN 18 2.339 -5.647 3.915
128 HB3 ASN 18 HB3 ASN 18 1.617 -4.140 3.314
129 HD21 ASN 18 HD21 ASN 18 1.324 -6.566 5.979
130 HD22 ASN 18 HD22 ASN 18 0.760 -5.397 7.159
131 H TYR 19 H TYR 19 -0.350 -4.187 1.321
132 HA TYR 19 HA TYR 19 -2.894 -3.251 2.479
133 HB2 TYR 19 HB2 TYR 19 -1.145 -2.505 0.147
134 HB3 TYR 19 HB3 TYR 19 -2.831 -2.048 0.111
135 HD1 TYR 19 HD2 TYR 19 0.266 -1.703 2.198
136 HD2 TYR 19 HD1 TYR 19 -3.698 -0.256 1.375
137 HE1 TYR 19 HE2 TYR 19 0.701 0.282 3.626
138 HE2 TYR 19 HE1 TYR 19 -3.269 1.750 2.767
139 HH TYR 19 HH TYR 19 -0.127 2.281 4.430
140 H CYS 20 HN CYS 20 -2.147 -6.050 0.873
141 HA CYS 20 HA CYS 20 -4.727 -6.281 -0.561
142 HB2 CYS 20 HB2 CYS 20 -2.537 -7.142 -1.479
143 HB3 CYS 20 HB3 CYS 20 -2.567 -8.373 -0.211
144 H ASN 21 H ASN 21 -5.690 -8.685 -0.116
145 HA ASN 21 HA ASN 21 -6.964 -8.535 2.468
146 HB2 ASN 21 HB2 ASN 21 -8.107 -9.309 0.412
147 HB3 ASN 21 HB3 ASN 21 -6.985 -10.659 0.268
148 HD21 ASN 21 HD21 ASN 21 -9.400 -9.235 2.516
149 HD22 ASN 21 HD22 ASN 21 -9.953 -10.796 3.122
150 H1 PHE 1 H1 PHE 1 10.867 -4.195 -11.510
151 H2 PHE 1 H2 PHE 1 10.247 -3.301 -10.286
152 H3 PHE 1 H3 PHE 1 9.600 -4.765 -10.637
153 HA PHE 1 HA PHE 1 11.597 -5.900 -10.006
154 HB2 PHE 1 HB2 PHE 1 13.113 -4.010 -10.641
155 HB3 PHE 1 HB3 PHE 1 12.601 -3.143 -9.195
156 HD1 PHE 1 HD2 PHE 1 13.843 -6.615 -10.089
157 HD2 PHE 1 HD1 PHE 1 14.195 -3.200 -7.459
158 HE1 PHE 1 HE2 PHE 1 15.612 -7.776 -8.807
159 HE2 PHE 1 HE1 PHE 1 15.994 -4.367 -6.202
160 HZ PHE 1 HZ PHE 1 16.691 -6.654 -6.856
161 H VAL 2 H VAL 2 12.203 -6.331 -7.625
162 HA VAL 2 HA VAL 2 9.797 -6.571 -6.196
163 HB VAL 2 HB VAL 2 11.807 -8.048 -6.048
164 HG11 VAL 2 HG11 VAL 2 13.527 -6.315 -5.546
165 HG12 VAL 2 HG12 VAL 2 12.821 -6.099 -3.931
166 HG13 VAL 2 HG13 VAL 2 13.534 -7.653 -4.393
167 HG21 VAL 2 HG21 VAL 2 11.363 -8.826 -3.810
168 HG22 VAL 2 HG22 VAL 2 10.620 -7.281 -3.357
169 HG23 VAL 2 HG23 VAL 2 9.846 -8.312 -4.573
170 H ASN 3 H ASN 3 12.062 -3.941 -6.060
171 HA ASN 3 HA ASN 3 10.133 -2.488 -4.437
172 HB2 ASN 3 HB2 ASN 3 11.695 -1.448 -2.970
173 HB3 ASN 3 HB3 ASN 3 11.861 -3.188 -2.792
174 HD21 ASN 3 HD21 ASN 3 13.753 -4.198 -4.114
175 HD22 ASN 3 HD22 ASN 3 15.201 -3.211 -4.224
176 H GLN 4 H GLN 4 9.807 -0.399 -5.138
177 HA GLN 4 HA GLN 4 11.422 0.871 -7.221
178 HB2 GLN 4 HB2 GLN 4 10.115 -1.293 -8.175
179 HB3 GLN 4 HB3 GLN 4 8.726 -0.237 -8.074
180 HG2 GLN 4 HG2 GLN 4 10.082 1.405 -9.576
181 HG3 GLN 4 HG3 GLN 4 11.236 0.082 -9.774
182 HE21 GLN 4 HE22 GLN 4 7.930 1.214 -10.469
183 HE22 GLN 4 HE21 GLN 4 7.588 -0.054 -11.649
184 H HIS 5 H HIS 5 10.133 2.728 -8.228
185 HA HIS 5 HA HIS 5 8.165 3.947 -6.351
186 HB2 HIS 5 HB2 HIS 5 9.380 4.956 -8.961
187 HB3 HIS 5 HB3 HIS 5 8.263 5.848 -7.930
188 HD1 HIS 5 HD1 HIS 5 9.302 6.360 -5.326
189 HD2 HIS 5 HD2 HIS 5 11.934 5.226 -8.401
190 HE1 HIS 5 HE1 HIS 5 11.613 7.183 -4.637
191 H LEU 6 H LEU 6 6.031 4.217 -6.898
192 HA LEU 6 HA LEU 6 4.906 3.245 -9.454
193 HB2 LEU 6 HB2 LEU 6 4.250 2.043 -6.722
194 HB3 LEU 6 HB3 LEU 6 3.232 1.848 -8.137
195 HG LEU 6 HG LEU 6 6.103 0.844 -7.976
196 HD11 LEU 6 HD11 LEU 6 5.077 -1.381 -7.622
197 HD12 LEU 6 HD12 LEU 6 3.477 -0.610 -7.498
198 HD13 LEU 6 HD13 LEU 6 4.731 -0.259 -6.297
199 HD21 LEU 6 HD21 LEU 6 3.826 0.252 -9.927
200 HD22 LEU 6 HD22 LEU 6 5.416 -0.539 -9.928
201 HD23 LEU 6 HD23 LEU 6 5.289 1.180 -10.310
202 H CYS 7 HN CYS 7 3.213 4.579 -10.030
203 HA CYS 7 HA CYS 7 1.696 5.948 -7.874
204 HB2 CYS 7 HB2 CYS 7 3.768 7.259 -8.753
205 HB3 CYS 7 HB3 CYS 7 2.824 7.502 -10.219
206 H GLY 8 H GLY 8 -0.398 6.292 -8.247
207 HA2 GLY 8 HA2 GLY 8 -2.480 6.247 -9.243
208 HA3 GLY 8 HA3 GLY 8 -1.649 6.864 -10.681
209 H SER 9 H SER 9 -2.097 5.725 -12.424
210 HA SER 9 HA SER 9 -3.339 3.188 -12.576
211 HB2 SER 9 HB2 SER 9 -2.588 3.293 -14.972
212 HB3 SER 9 HB3 SER 9 -3.468 4.718 -14.393
213 HG SER 9 HG SER 9 -1.559 5.270 -15.609
214 H HIS 10 H HIS 10 0.166 3.985 -12.540
215 HA HIS 10 HA HIS 10 1.081 1.343 -13.214
216 HB2 HIS 10 HB2 HIS 10 2.511 3.431 -11.526
217 HB3 HIS 10 HB3 HIS 10 3.226 2.156 -12.487
218 HD1 HIS 10 HD1 HIS 10 1.844 5.674 -12.800
219 HD2 HIS 10 HD2 HIS 10 3.267 2.540 -15.220
220 HE1 HIS 10 HE1 HIS 10 2.277 6.690 -15.106
221 H LEU 11 H LEU 11 0.384 2.933 -10.077
222 HA LEU 11 HA LEU 11 1.206 0.692 -8.431
223 HB2 LEU 11 HB2 LEU 11 1.106 3.025 -7.597
224 HB3 LEU 11 HB3 LEU 11 -0.630 3.072 -7.884
225 HG LEU 11 HG LEU 11 -0.958 1.276 -6.174
226 HD11 LEU 11 HD11 LEU 11 2.036 1.639 -5.678
227 HD12 LEU 11 HD12 LEU 11 1.236 0.156 -6.256
228 HD13 LEU 11 HD13 LEU 11 0.910 0.757 -4.621
229 HD21 LEU 11 HD21 LEU 11 0.586 3.728 -5.235
230 HD22 LEU 11 HD22 LEU 11 -0.488 2.721 -4.232
231 HD23 LEU 11 HD23 LEU 11 -1.159 3.646 -5.581
232 H VAL 12 H VAL 12 -1.924 1.795 -9.714
233 HA VAL 12 HA VAL 12 -3.549 -0.298 -8.636
234 HB VAL 12 HB VAL 12 -3.829 1.408 -11.127
235 HG11 VAL 12 HG11 VAL 12 -6.199 0.685 -11.263
236 HG12 VAL 12 HG12 VAL 12 -5.093 -0.631 -11.624
237 HG13 VAL 12 HG13 VAL 12 -5.888 -0.558 -10.030
238 HG21 VAL 12 HG21 VAL 12 -5.567 2.547 -9.811
239 HG22 VAL 12 HG22 VAL 12 -5.333 1.408 -8.462
240 HG23 VAL 12 HG23 VAL 12 -4.051 2.542 -8.918
241 H GLU 13 H GLU 13 -1.778 -0.151 -11.804
242 HA GLU 13 HA GLU 13 -2.468 -2.781 -12.657
243 HB2 GLU 13 HB2 GLU 13 -1.548 -1.000 -14.105
244 HB3 GLU 13 HB3 GLU 13 0.020 -1.136 -13.287
245 HG2 GLU 13 HG2 GLU 13 0.246 -3.456 -14.093
246 HG3 GLU 13 HG3 GLU 13 -1.366 -3.399 -14.794
247 H ALA 14 H ALA 14 0.401 -1.640 -10.734
248 HA ALA 14 HA ALA 14 1.610 -4.198 -10.438
249 HB1 ALA 14 HB1 ALA 14 1.617 -1.819 -8.531
250 HB2 ALA 14 HB2 ALA 14 2.780 -3.153 -8.542
251 HB3 ALA 14 HB3 ALA 14 2.708 -2.045 -9.923
252 H LEU 15 H LEU 15 -0.911 -2.618 -8.384
253 HA LEU 15 HA LEU 15 -1.108 -4.771 -6.486
254 HB2 LEU 15 HB2 LEU 15 -3.030 -2.603 -7.401
255 HB3 LEU 15 HB3 LEU 15 -3.443 -3.748 -6.132
256 HG LEU 15 HG LEU 15 -0.959 -2.021 -5.930
257 HD11 LEU 15 HD11 LEU 15 -3.744 -1.385 -4.860
258 HD12 LEU 15 HD12 LEU 15 -2.925 -0.533 -6.184
259 HD13 LEU 15 HD13 LEU 15 -2.250 -0.468 -4.548
260 HD21 LEU 15 HD21 LEU 15 -2.669 -3.437 -3.826
261 HD22 LEU 15 HD22 LEU 15 -1.221 -2.464 -3.511
262 HD23 LEU 15 HD23 LEU 15 -1.075 -3.979 -4.405
263 H TYR 16 H TYR 16 -2.819 -4.306 -9.630
264 HA TYR 16 HA TYR 16 -4.332 -6.752 -9.388
265 HB2 TYR 16 HB2 TYR 16 -3.601 -4.967 -11.720
266 HB3 TYR 16 HB3 TYR 16 -4.406 -6.504 -11.972
267 HD1 TYR 16 HD2 TYR 16 -6.527 -6.926 -10.333
268 HD2 TYR 16 HD1 TYR 16 -5.064 -3.113 -11.705
269 HE1 TYR 16 HE2 TYR 16 -8.748 -5.920 -9.894
270 HE2 TYR 16 HE1 TYR 16 -7.303 -2.107 -11.298
271 HH TYR 16 HH TYR 16 -10.034 -4.006 -9.963
272 H LEU 17 H LEU 17 -1.095 -6.100 -10.809
273 HA LEU 17 HA LEU 17 -0.694 -8.797 -11.771
274 HB2 LEU 17 HB2 LEU 17 1.188 -6.513 -11.076
275 HB3 LEU 17 HB3 LEU 17 1.766 -8.044 -11.715
276 HG LEU 17 HG LEU 17 -0.250 -6.287 -13.189
277 HD11 LEU 17 HD11 LEU 17 1.670 -5.584 -14.573
278 HD12 LEU 17 HD12 LEU 17 2.776 -6.494 -13.524
279 HD13 LEU 17 HD13 LEU 17 1.891 -5.089 -12.887
280 HD21 LEU 17 HD21 LEU 17 0.454 -7.622 -15.156
281 HD22 LEU 17 HD22 LEU 17 -0.327 -8.619 -13.921
282 HD23 LEU 17 HD23 LEU 17 1.443 -8.652 -14.104
283 H VAL 18 H VAL 18 0.293 -7.212 -8.723
284 HA VAL 18 HA VAL 18 1.611 -9.571 -7.691
285 HB VAL 18 HB VAL 18 0.710 -6.999 -6.357
286 HG11 VAL 18 HG11 VAL 18 0.912 -8.611 -4.550
287 HG12 VAL 18 HG12 VAL 18 2.471 -9.192 -5.187
288 HG13 VAL 18 HG13 VAL 18 2.323 -7.550 -4.524
289 HG21 VAL 18 HG21 VAL 18 3.517 -7.945 -7.119
290 HG22 VAL 18 HG22 VAL 18 2.551 -6.888 -8.153
291 HG23 VAL 18 HG23 VAL 18 3.019 -6.331 -6.549
292 H CYS 19 HN CYS 19 -1.646 -8.130 -7.084
293 HA CYS 19 HA CYS 19 -2.363 -10.582 -5.537
294 HB2 CYS 19 HB2 CYS 19 -1.638 -8.188 -4.375
295 HB3 CYS 19 HB3 CYS 19 -3.393 -8.012 -4.515
296 H GLY 20 H GLY 20 -3.336 -9.110 -8.263
297 HA2 GLY 20 HA2 GLY 20 -5.996 -8.298 -7.828
298 HA3 GLY 20 HA3 GLY 20 -5.357 -8.873 -9.380
299 H GLU 21 H GLU 21 -4.833 -11.610 -8.400
300 HA GLU 21 HA GLU 21 -7.512 -12.722 -8.696
301 HB2 GLU 21 HB2 GLU 21 -5.435 -13.669 -9.727
302 HB3 GLU 21 HB3 GLU 21 -4.863 -14.128 -8.120
303 HG2 GLU 21 HG2 GLU 21 -6.789 -15.645 -7.843
304 HG3 GLU 21 HG3 GLU 21 -7.471 -15.104 -9.383
305 H ARG 22 H ARG 22 -5.275 -12.308 -5.972
306 HA ARG 22 HA ARG 22 -6.942 -13.737 -4.033
307 HB2 ARG 22 HB2 ARG 22 -4.598 -11.812 -3.801
308 HB3 ARG 22 HB3 ARG 22 -5.436 -12.477 -2.395
309 HG2 ARG 22 HG2 ARG 22 -4.920 -14.766 -3.114
310 HG3 ARG 22 HG3 ARG 22 -4.093 -14.177 -4.556
311 HD2 ARG 22 HD2 ARG 22 -3.238 -13.403 -1.743
312 HD3 ARG 22 HD3 ARG 22 -2.658 -14.866 -2.551
313 HE ARG 22 HE ARG 22 -2.133 -12.900 -4.401
314 HH11 ARG 22 HH11 ARG 22 -1.083 -13.439 -1.028
315 HH12 ARG 22 HH12 ARG 22 0.455 -12.645 -1.356
316 HH21 ARG 22 HH21 ARG 22 -0.073 -11.832 -4.594
317 HH22 ARG 22 HH22 ARG 22 0.964 -11.856 -3.172
318 H GLY 23 H GLY 23 -6.725 -10.477 -5.303
319 HA2 GLY 23 HA2 GLY 23 -8.356 -8.799 -5.330
320 HA3 GLY 23 HA3 GLY 23 -9.295 -9.650 -4.081
321 H PHE 24 H PHE 24 -7.186 -7.063 -4.691
322 HA PHE 24 HA PHE 24 -6.327 -6.786 -1.891
323 HB2 PHE 24 HB2 PHE 24 -5.098 -4.813 -2.661
324 HB3 PHE 24 HB3 PHE 24 -4.674 -6.250 -3.557
325 HD1 PHE 24 HD2 PHE 24 -5.367 -6.540 -5.932
326 HD2 PHE 24 HD1 PHE 24 -6.148 -2.896 -3.759
327 HE1 PHE 24 HE2 PHE 24 -5.775 -5.347 -8.060
328 HE2 PHE 24 HE1 PHE 24 -6.508 -1.697 -5.895
329 HZ PHE 24 HZ PHE 24 -6.341 -2.929 -8.060
330 H PHE 25 H PHE 25 -6.896 -5.175 -0.498
331 HA PHE 25 HA PHE 25 -9.677 -4.286 -0.720
332 HB2 PHE 25 HB2 PHE 25 -8.743 -5.315 1.317
333 HB3 PHE 25 HB3 PHE 25 -7.547 -4.032 1.449
334 HD1 PHE 25 HD2 PHE 25 -11.233 -4.731 1.527
335 HD2 PHE 25 HD1 PHE 25 -8.074 -1.993 2.586
336 HE1 PHE 25 HE2 PHE 25 -12.827 -3.418 2.910
337 HE2 PHE 25 HE1 PHE 25 -9.667 -0.685 3.960
338 HZ PHE 25 HZ PHE 25 -12.043 -1.394 4.132
339 H TYR 26 H TYR 26 -6.495 -2.803 -1.003
340 HA TYR 26 HA TYR 26 -7.178 -0.178 -0.287
341 HB2 TYR 26 HB2 TYR 26 -4.920 -1.124 -0.347
342 HB3 TYR 26 HB3 TYR 26 -4.947 -1.166 -2.104
343 HD1 TYR 26 HD2 TYR 26 -5.557 1.284 0.707
344 HD2 TYR 26 HD1 TYR 26 -3.920 0.649 -3.230
345 HE1 TYR 26 HE2 TYR 26 -4.718 3.620 0.685
346 HE2 TYR 26 HE1 TYR 26 -3.039 2.981 -3.234
347 HH TYR 26 HH TYR 26 -3.585 5.229 -0.502
348 H THR 27 H THR 27 -7.411 1.731 -1.380
349 HA THR 27 HA THR 27 -7.806 1.792 -4.308
350 HB THR 27 HB THR 27 -9.754 3.125 -2.387
351 HG1 THR 27 HG1 THR 27 -10.321 1.046 -2.434
352 HG21 THR 27 HG21 THR 27 -11.013 3.551 -4.498
353 HG22 THR 27 HG22 THR 27 -9.646 2.908 -5.435
354 HG23 THR 27 HG23 THR 27 -9.458 4.393 -4.471
355 HA PRO 28 HA PRO 28 -4.796 5.033 -3.332
356 HB2 PRO 28 HB2 PRO 28 -5.464 5.841 -6.166
357 HB3 PRO 28 HB3 PRO 28 -3.862 5.721 -5.377
358 HG2 PRO 28 HG2 PRO 28 -4.722 3.763 -7.028
359 HG3 PRO 28 HG3 PRO 28 -3.903 3.340 -5.484
360 HD2 PRO 28 HD2 PRO 28 -6.868 3.362 -6.112
361 HD3 PRO 28 HD3 PRO 28 -5.899 2.155 -5.207
362 H LYS 29 H LYS 29 -4.741 7.335 -2.998
363 HA LYS 29 HA LYS 29 -7.186 8.668 -2.451
364 HB2 LYS 29 HB2 LYS 29 -4.961 9.150 -1.446
365 HB3 LYS 29 HB3 LYS 29 -4.378 9.764 -2.990
366 HG2 LYS 29 HG2 LYS 29 -4.895 11.589 -1.500
367 HG3 LYS 29 HG3 LYS 29 -5.986 11.641 -2.880
368 HD2 LYS 29 HD2 LYS 29 -7.805 10.661 -1.513
369 HD3 LYS 29 HD3 LYS 29 -6.691 10.517 -0.133
370 HE2 LYS 29 HE2 LYS 29 -6.373 12.989 -0.156
371 HE3 LYS 29 HE3 LYS 29 -7.492 13.118 -1.522
372 HZ1 LYS 29 HZ1 LYS 29 -9.240 12.217 -0.082
373 HZ2 LYS 29 HZ2 LYS 29 -8.604 13.565 0.586
374 HZ3 LYS 29 HZ3 LYS 29 -8.203 12.097 1.179
375 H THR 30 H THR 30 -5.324 8.509 -5.421
376 HA THR 30 HA THR 30 -6.879 10.499 -6.920
377 HB THR 30 HB THR 30 -5.516 9.525 -8.838
378 HG1 THR 30 HG1 THR 30 -3.805 8.173 -8.185
379 HG21 THR 30 HG21 THR 30 -4.781 11.537 -7.559
380 HG22 THR 30 HG22 THR 30 -3.421 10.558 -8.121
381 HG23 THR 30 HG23 THR 30 -3.909 10.489 -6.421
382 H LYS 31 H LYS 31 -7.173 7.157 -6.179
383 HA LYS 31 HA LYS 31 -8.692 5.578 -6.547
384 HB2 LYS 31 HB2 LYS 31 -10.356 7.712 -7.926
385 HB3 LYS 31 HB3 LYS 31 -10.923 6.136 -7.376
386 HG2 LYS 31 HG2 LYS 31 -10.309 6.717 -5.036
387 HG3 LYS 31 HG3 LYS 31 -9.844 8.342 -5.561
388 HD2 LYS 31 HD2 LYS 31 -12.630 7.136 -5.838
389 HD3 LYS 31 HD3 LYS 31 -12.112 8.255 -4.570
390 HE2 LYS 31 HE2 LYS 31 -11.587 9.974 -6.287
391 HE3 LYS 31 HE3 LYS 31 -12.151 8.878 -7.558
392 HZ1 LYS 31 HZ1 LYS 31 -14.345 8.914 -6.530
393 HZ2 LYS 31 HZ2 LYS 31 -13.884 10.435 -6.901
394 HZ3 LYS 31 HZ3 LYS 31 -13.830 9.924 -5.346
395 H ARG 32 H ARG 32 -9.881 4.237 -8.138
396 HA ARG 32 HA ARG 32 -8.258 3.682 -10.528
397 HB2 ARG 32 HB2 ARG 32 -10.710 2.370 -9.289
398 HB3 ARG 32 HB3 ARG 32 -10.016 1.855 -10.826
399 HG2 ARG 32 HG2 ARG 32 -7.862 1.379 -9.766
400 HG3 ARG 32 HG3 ARG 32 -8.474 1.900 -8.195
401 HD2 ARG 32 HD2 ARG 32 -9.654 -0.397 -9.822
402 HD3 ARG 32 HD3 ARG 32 -8.439 -0.619 -8.575
403 HE ARG 32 HE ARG 32 -11.288 0.013 -8.209
404 HH11 ARG 32 HH21 ARG 32 -8.204 -0.207 -6.578
405 HH12 ARG 32 HH22 ARG 32 -8.935 -0.128 -4.992
406 HH21 ARG 32 HH12 ARG 32 -12.124 0.248 -6.141
407 HH22 ARG 32 HH11 ARG 32 -11.021 0.376 -4.792
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 -2.550 7.173 2.993
2 H2 GLY 1 2H GLY 1 -2.399 5.943 4.069
3 H3 GLY 1 3H GLY 1 -3.889 6.496 3.655
4 HA2 GLY 1 HA2 GLY 1 -3.460 4.404 2.538
5 HA3 GLY 1 HA3 GLY 1 -3.607 5.745 1.384
6 H ILE 2 H ILE 2 -2.346 3.612 0.403
7 HA ILE 2 HA ILE 2 0.551 3.777 0.929
8 HB ILE 2 HB ILE 2 -0.393 1.632 0.835
9 HG12 ILE 2 HG12 ILE 2 1.144 1.875 -1.764
10 HG13 ILE 2 HG13 ILE 2 1.901 2.104 -0.172
11 HG21 ILE 2 HG21 ILE 2 -1.388 0.625 -1.235
12 HG22 ILE 2 HG22 ILE 2 -2.372 1.881 -0.521
13 HG23 ILE 2 HG23 ILE 2 -1.399 2.235 -1.972
14 HD11 ILE 2 HD11 ILE 2 1.280 -0.177 0.488
15 HD12 ILE 2 HD12 ILE 2 0.548 -0.457 -1.113
16 HD13 ILE 2 HD13 ILE 2 2.284 -0.159 -0.972
17 H VAL 3 H VAL 3 -1.534 4.967 -1.688
18 HA VAL 3 HA VAL 3 0.587 5.237 -3.559
19 HB VAL 3 HB VAL 3 -1.812 5.424 -4.143
20 HG11 VAL 3 HG11 VAL 3 -3.004 7.501 -4.040
21 HG12 VAL 3 HG12 VAL 3 -2.487 7.099 -2.395
22 HG13 VAL 3 HG13 VAL 3 -1.620 8.349 -3.316
23 HG21 VAL 3 HG21 VAL 3 -1.498 6.926 -6.019
24 HG22 VAL 3 HG22 VAL 3 -0.125 7.714 -5.225
25 HG23 VAL 3 HG23 VAL 3 -0.003 6.021 -5.743
26 H GLU 4 H GLU 4 -0.352 7.483 -0.961
27 HA GLU 4 HA GLU 4 1.507 9.541 -1.771
28 HB2 GLU 4 HB2 GLU 4 0.922 10.656 0.246
29 HB3 GLU 4 HB3 GLU 4 -0.527 9.928 -0.442
30 HG2 GLU 4 HG2 GLU 4 -0.006 7.945 1.202
31 HG3 GLU 4 HG3 GLU 4 1.012 9.116 2.037
32 H GLN 5 H GLN 5 2.127 6.488 -0.449
33 HA GLN 5 HA GLN 5 4.788 7.279 0.667
34 HB2 GLN 5 HB2 GLN 5 3.569 5.701 2.039
35 HB3 GLN 5 HB3 GLN 5 3.203 4.672 0.659
36 HG2 GLN 5 HG2 GLN 5 5.624 4.142 0.390
37 HG3 GLN 5 HG3 GLN 5 5.983 5.142 1.805
38 HE21 GLN 5 HE21 GLN 5 4.060 2.269 0.733
39 HE22 GLN 5 HE22 GLN 5 4.090 1.495 2.311
40 H CYS 6 HN CYS 6 3.360 4.936 -1.727
41 HA CYS 6 HA CYS 6 5.949 4.336 -2.808
42 HB2 CYS 6 HB2 CYS 6 3.183 3.794 -3.939
43 HB3 CYS 6 HB3 CYS 6 4.694 3.023 -4.422
44 H CYS 7 HN CYS 7 3.663 6.828 -3.753
45 HA CYS 7 HA CYS 7 4.968 7.387 -6.323
46 HB2 CYS 7 HB2 CYS 7 2.549 7.886 -5.538
47 HB3 CYS 7 HB3 CYS 7 3.237 9.280 -4.714
48 H THR 8 H THR 8 5.667 8.087 -3.037
49 HA THR 8 HA THR 8 7.338 10.497 -3.567
50 HB THR 8 HB THR 8 6.409 9.233 -0.956
51 HG1 THR 8 HG1 THR 8 4.666 10.404 -1.142
52 HG21 THR 8 HG21 THR 8 8.327 10.759 -0.639
53 HG22 THR 8 HG22 THR 8 6.835 11.486 -0.011
54 HG23 THR 8 HG23 THR 8 7.494 12.020 -1.578
55 H SER 9 H SER 9 7.525 7.251 -2.099
56 HA SER 9 HA SER 9 10.527 7.308 -2.193
57 HB2 SER 9 HB2 SER 9 8.663 5.983 -0.174
58 HB3 SER 9 HB3 SER 9 10.419 5.800 -0.220
59 HG SER 9 HG SER 9 8.978 8.220 0.228
60 H ILE 10 H ILE 10 11.447 5.011 -2.195
61 HA ILE 10 HA ILE 10 10.266 3.347 -4.289
62 HB ILE 10 HB ILE 10 12.525 2.867 -2.299
63 HG12 ILE 10 HG12 ILE 10 13.018 4.681 -3.919
64 HG13 ILE 10 HG13 ILE 10 14.086 3.293 -4.063
65 HG21 ILE 10 HG21 ILE 10 13.227 1.019 -3.846
66 HG22 ILE 10 HG22 ILE 10 11.744 0.696 -2.937
67 HG23 ILE 10 HG23 ILE 10 11.644 1.154 -4.647
68 HD11 ILE 10 HD11 ILE 10 11.739 3.848 -5.919
69 HD12 ILE 10 HD12 ILE 10 13.433 4.227 -6.264
70 HD13 ILE 10 HD13 ILE 10 12.934 2.540 -6.091
71 H CYS 11 HN CYS 11 8.904 1.630 -4.095
72 HA CYS 11 HA CYS 11 8.194 0.666 -1.360
73 HB2 CYS 11 HB2 CYS 11 6.508 1.359 -3.730
74 HB3 CYS 11 HB3 CYS 11 6.027 -0.026 -2.765
75 H SER 12 H SER 12 7.443 -1.377 -1.173
76 HA SER 12 HA SER 12 8.756 -3.431 -2.950
77 HB2 SER 12 HB2 SER 12 9.931 -2.973 -0.797
78 HB3 SER 12 HB3 SER 12 8.474 -3.483 0.076
79 HG SER 12 HG SER 12 10.097 -5.167 -0.231
80 H LEU 13 H LEU 13 7.880 -5.626 -2.702
81 HA LEU 13 HA LEU 13 5.075 -5.683 -3.306
82 HB2 LEU 13 HB2 LEU 13 6.986 -7.975 -2.663
83 HB3 LEU 13 HB3 LEU 13 5.387 -8.128 -3.358
84 HG LEU 13 HG LEU 13 6.226 -6.715 -5.347
85 HD11 LEU 13 HD11 LEU 13 8.891 -7.340 -3.981
86 HD12 LEU 13 HD12 LEU 13 8.316 -5.780 -4.642
87 HD13 LEU 13 HD13 LEU 13 8.754 -7.083 -5.720
88 HD21 LEU 13 HD21 LEU 13 7.466 -9.462 -4.827
89 HD22 LEU 13 HD22 LEU 13 7.193 -8.715 -6.414
90 HD23 LEU 13 HD23 LEU 13 5.811 -9.166 -5.409
91 H TYR 14 H TYR 14 6.872 -6.398 -0.332
92 HA TYR 14 HA TYR 14 4.755 -7.624 1.155
93 HB2 TYR 14 HB2 TYR 14 7.149 -7.648 1.760
94 HB3 TYR 14 HB3 TYR 14 7.104 -5.917 2.071
95 HD1 TYR 14 HD2 TYR 14 5.640 -9.198 3.167
96 HD2 TYR 14 HD1 TYR 14 6.459 -5.094 4.223
97 HE1 TYR 14 HE2 TYR 14 4.916 -9.656 5.498
98 HE2 TYR 14 HE1 TYR 14 5.739 -5.547 6.555
99 HH TYR 14 HH TYR 14 4.587 -8.792 7.600
100 H GLN 15 H GLN 15 5.384 -4.239 0.399
101 HA GLN 15 HA GLN 15 3.437 -3.175 2.352
102 HB2 GLN 15 HB2 GLN 15 4.947 -1.882 0.036
103 HB3 GLN 15 HB3 GLN 15 3.917 -1.018 1.165
104 HG2 GLN 15 HG2 GLN 15 5.357 -1.521 3.037
105 HG3 GLN 15 HG3 GLN 15 6.321 -2.661 2.097
106 HE21 GLN 15 HE22 GLN 15 6.567 0.395 3.376
107 HE22 GLN 15 HE21 GLN 15 7.636 1.068 2.161
108 H LEU 16 H LEU 16 3.506 -4.019 -1.131
109 HA LEU 16 HA LEU 16 0.803 -3.117 -1.687
110 HB2 LEU 16 HB2 LEU 16 2.471 -5.300 -3.013
111 HB3 LEU 16 HB3 LEU 16 1.006 -4.605 -3.673
112 HG LEU 16 HG LEU 16 3.625 -3.107 -3.212
113 HD11 LEU 16 HD11 LEU 16 2.309 -4.132 -5.760
114 HD12 LEU 16 HD12 LEU 16 3.816 -4.713 -5.010
115 HD13 LEU 16 HD13 LEU 16 3.742 -3.091 -5.695
116 HD21 LEU 16 HD21 LEU 16 1.698 -1.565 -3.037
117 HD22 LEU 16 HD22 LEU 16 1.051 -2.178 -4.575
118 HD23 LEU 16 HD23 LEU 16 2.595 -1.293 -4.529
119 H GLU 17 H GLU 17 2.109 -6.328 -0.752
120 HA GLU 17 HA GLU 17 -0.404 -7.635 -0.741
121 HB2 GLU 17 HB2 GLU 17 2.175 -8.283 0.739
122 HB3 GLU 17 HB3 GLU 17 0.727 -9.295 0.807
123 HG2 GLU 17 HG2 GLU 17 0.793 -9.281 -1.785
124 HG3 GLU 17 HG3 GLU 17 2.451 -8.708 -1.604
125 H ASN 18 H ASN 18 0.869 -5.432 1.690
126 HA ASN 18 HA ASN 18 -0.666 -6.203 3.960
127 HB2 ASN 18 HB2 ASN 18 1.122 -4.502 3.962
128 HB3 ASN 18 HB3 ASN 18 0.121 -3.452 2.962
129 HD21 ASN 18 HD21 ASN 18 -1.342 -2.072 3.966
130 HD22 ASN 18 HD22 ASN 18 -1.682 -2.123 5.684
131 H TYR 19 H TYR 19 -1.678 -4.637 0.968
132 HA TYR 19 HA TYR 19 -4.408 -4.068 2.013
133 HB2 TYR 19 HB2 TYR 19 -2.938 -3.232 -0.512
134 HB3 TYR 19 HB3 TYR 19 -4.608 -2.826 -0.145
135 HD1 TYR 19 HD1 TYR 19 -5.170 -1.275 1.714
136 HD2 TYR 19 HD2 TYR 19 -1.076 -2.192 0.745
137 HE1 TYR 19 HE1 TYR 19 -4.423 0.618 3.134
138 HE2 TYR 19 HE2 TYR 19 -0.313 -0.341 2.212
139 HH TYR 19 HH TYR 19 -2.617 1.764 3.986
140 H CYS 20 HN CYS 20 -2.894 -6.653 0.643
141 HA CYS 20 HA CYS 20 -5.102 -7.604 -1.103
142 HB2 CYS 20 HB2 CYS 20 -2.621 -7.820 -1.612
143 HB3 CYS 20 HB3 CYS 20 -2.521 -8.963 -0.274
144 H ASN 21 H ASN 21 -4.563 -10.397 -0.187
145 HA ASN 21 HA ASN 21 -5.798 -10.533 2.510
146 HB2 ASN 21 HB2 ASN 21 -6.890 -11.760 -0.058
147 HB3 ASN 21 HB3 ASN 21 -7.221 -12.454 1.519
148 HD21 ASN 21 HD21 ASN 21 -7.948 -9.705 -0.598
149 HD22 ASN 21 HD22 ASN 21 -9.223 -9.100 0.446
150 H1 PHE 1 H1 PHE 1 12.620 -1.882 -12.155
151 H2 PHE 1 H2 PHE 1 11.705 -2.729 -13.213
152 H3 PHE 1 H3 PHE 1 13.333 -2.932 -13.183
153 HA PHE 1 HA PHE 1 12.228 -4.788 -12.153
154 HB2 PHE 1 HB2 PHE 1 14.507 -4.119 -11.409
155 HB3 PHE 1 HB3 PHE 1 13.805 -3.060 -10.198
156 HD1 PHE 1 HD2 PHE 1 13.549 -6.676 -11.317
157 HD2 PHE 1 HD1 PHE 1 13.771 -3.895 -8.017
158 HE1 PHE 1 HE2 PHE 1 13.443 -8.566 -9.708
159 HE2 PHE 1 HE1 PHE 1 13.702 -5.806 -6.420
160 HZ PHE 1 HZ PHE 1 13.526 -8.135 -7.271
161 H VAL 2 H VAL 2 11.056 -5.570 -10.170
162 HA VAL 2 HA VAL 2 8.588 -4.126 -9.988
163 HB VAL 2 HB VAL 2 8.569 -6.494 -10.051
164 HG11 VAL 2 HG11 VAL 2 10.596 -7.169 -8.979
165 HG12 VAL 2 HG12 VAL 2 10.076 -6.519 -7.417
166 HG13 VAL 2 HG13 VAL 2 9.249 -7.926 -8.129
167 HG21 VAL 2 HG21 VAL 2 7.489 -5.616 -7.347
168 HG22 VAL 2 HG22 VAL 2 6.699 -5.362 -8.920
169 HG23 VAL 2 HG23 VAL 2 6.956 -7.009 -8.315
170 H ASN 3 H ASN 3 11.245 -4.450 -7.585
171 HA ASN 3 HA ASN 3 9.879 -2.789 -5.596
172 HB2 ASN 3 HB2 ASN 3 11.551 -4.476 -4.946
173 HB3 ASN 3 HB3 ASN 3 12.790 -3.647 -5.887
174 HD21 ASN 3 HD21 ASN 3 13.742 -1.714 -5.054
175 HD22 ASN 3 HD22 ASN 3 13.449 -1.217 -3.399
176 H GLN 4 H GLN 4 9.514 -0.636 -6.015
177 HA GLN 4 HA GLN 4 11.388 1.142 -7.398
178 HB2 GLN 4 HB2 GLN 4 10.285 -0.564 -9.120
179 HB3 GLN 4 HB3 GLN 4 8.808 0.303 -8.806
180 HG2 GLN 4 HG2 GLN 4 10.110 2.419 -9.650
181 HG3 GLN 4 HG3 GLN 4 11.356 1.286 -10.161
182 HE21 GLN 4 HE21 GLN 4 7.833 2.047 -10.467
183 HE22 GLN 4 HE22 GLN 4 7.655 1.359 -12.079
184 H HIS 5 H HIS 5 10.145 3.289 -7.975
185 HA HIS 5 HA HIS 5 8.122 4.046 -5.997
186 HB2 HIS 5 HB2 HIS 5 9.032 5.339 -8.618
187 HB3 HIS 5 HB3 HIS 5 7.867 6.040 -7.508
188 HD1 HIS 5 HD1 HIS 5 8.870 6.923 -5.109
189 HD2 HIS 5 HD2 HIS 5 11.588 5.757 -8.095
190 HE1 HIS 5 HE1 HIS 5 11.112 8.005 -4.506
191 H LEU 6 H LEU 6 5.902 4.035 -6.375
192 HA LEU 6 HA LEU 6 4.804 3.044 -8.960
193 HB2 LEU 6 HB2 LEU 6 4.272 1.849 -6.200
194 HB3 LEU 6 HB3 LEU 6 3.308 1.510 -7.628
195 HG LEU 6 HG LEU 6 6.272 0.843 -7.394
196 HD11 LEU 6 HD11 LEU 6 4.977 -0.411 -5.731
197 HD12 LEU 6 HD12 LEU 6 5.500 -1.480 -7.044
198 HD13 LEU 6 HD13 LEU 6 3.816 -0.912 -6.975
199 HD21 LEU 6 HD21 LEU 6 5.520 1.051 -9.743
200 HD22 LEU 6 HD22 LEU 6 4.138 -0.004 -9.405
201 HD23 LEU 6 HD23 LEU 6 5.794 -0.646 -9.330
202 H CYS 7 HN CYS 7 3.142 4.307 -9.565
203 HA CYS 7 HA CYS 7 1.491 5.701 -7.527
204 HB2 CYS 7 HB2 CYS 7 3.594 7.000 -8.217
205 HB3 CYS 7 HB3 CYS 7 2.858 7.205 -9.794
206 H GLY 8 H GLY 8 -0.558 6.311 -8.222
207 HA2 GLY 8 HA2 GLY 8 -2.539 6.112 -9.417
208 HA3 GLY 8 HA3 GLY 8 -1.539 6.636 -10.778
209 H SER 9 H SER 9 -2.076 5.408 -12.476
210 HA SER 9 HA SER 9 -3.139 2.802 -12.458
211 HB2 SER 9 HB2 SER 9 -1.504 4.149 -14.640
212 HB3 SER 9 HB3 SER 9 -2.616 2.782 -14.846
213 HG SER 9 HG SER 9 -3.601 4.817 -15.360
214 H HIS 10 H HIS 10 0.314 3.753 -12.364
215 HA HIS 10 HA HIS 10 1.260 1.057 -13.005
216 HB2 HIS 10 HB2 HIS 10 2.526 3.217 -13.379
217 HB3 HIS 10 HB3 HIS 10 2.779 3.318 -11.639
218 HD1 HIS 10 HD1 HIS 10 3.297 -0.142 -11.832
219 HD2 HIS 10 HD2 HIS 10 5.268 3.152 -13.548
220 HE1 HIS 10 HE1 HIS 10 5.641 -0.948 -12.449
221 H LEU 11 H LEU 11 0.555 2.841 -9.970
222 HA LEU 11 HA LEU 11 1.402 0.681 -8.217
223 HB2 LEU 11 HB2 LEU 11 1.102 3.009 -7.396
224 HB3 LEU 11 HB3 LEU 11 -0.609 2.945 -7.790
225 HG LEU 11 HG LEU 11 -0.890 1.092 -6.082
226 HD11 LEU 11 HD11 LEU 11 1.442 0.235 -6.022
227 HD12 LEU 11 HD12 LEU 11 0.897 0.758 -4.420
228 HD13 LEU 11 HD13 LEU 11 1.993 1.791 -5.360
229 HD21 LEU 11 HD21 LEU 11 0.342 3.692 -5.087
230 HD22 LEU 11 HD22 LEU 11 -0.708 2.608 -4.149
231 HD23 LEU 11 HD23 LEU 11 -1.356 3.456 -5.558
232 H VAL 12 H VAL 12 -1.745 1.616 -9.592
233 HA VAL 12 HA VAL 12 -3.240 -0.490 -8.387
234 HB VAL 12 HB VAL 12 -3.717 1.082 -10.943
235 HG11 VAL 12 HG11 VAL 12 -4.980 -0.991 -11.234
236 HG12 VAL 12 HG12 VAL 12 -5.632 -0.868 -9.587
237 HG13 VAL 12 HG13 VAL 12 -6.091 0.312 -10.829
238 HG21 VAL 12 HG21 VAL 12 -5.034 1.206 -8.184
239 HG22 VAL 12 HG22 VAL 12 -3.816 2.345 -8.776
240 HG23 VAL 12 HG23 VAL 12 -5.394 2.267 -9.563
241 H GLU 13 H GLU 13 -1.573 -0.426 -11.603
242 HA GLU 13 HA GLU 13 -2.199 -3.108 -12.326
243 HB2 GLU 13 HB2 GLU 13 -1.377 -1.372 -13.869
244 HB3 GLU 13 HB3 GLU 13 0.212 -1.405 -13.078
245 HG2 GLU 13 HG2 GLU 13 0.531 -3.748 -13.780
246 HG3 GLU 13 HG3 GLU 13 -1.101 -3.791 -14.457
247 H ALA 14 H ALA 14 0.690 -1.802 -10.549
248 HA ALA 14 HA ALA 14 1.999 -4.343 -10.280
249 HB1 ALA 14 HB1 ALA 14 3.153 -2.211 -9.973
250 HB2 ALA 14 HB2 ALA 14 2.137 -1.817 -8.568
251 HB3 ALA 14 HB3 ALA 14 3.283 -3.175 -8.493
252 H LEU 15 H LEU 15 -0.339 -2.654 -8.161
253 HA LEU 15 HA LEU 15 -0.367 -4.585 -6.061
254 HB2 LEU 15 HB2 LEU 15 -1.119 -2.228 -5.902
255 HB3 LEU 15 HB3 LEU 15 -2.469 -2.585 -6.993
256 HG LEU 15 HG LEU 15 -3.440 -4.092 -5.322
257 HD11 LEU 15 HD11 LEU 15 -1.142 -3.246 -3.507
258 HD12 LEU 15 HD12 LEU 15 -1.458 -4.891 -4.114
259 HD13 LEU 15 HD13 LEU 15 -2.595 -4.131 -2.994
260 HD21 LEU 15 HD21 LEU 15 -4.037 -1.679 -5.354
261 HD22 LEU 15 HD22 LEU 15 -2.734 -1.339 -4.195
262 HD23 LEU 15 HD23 LEU 15 -4.110 -2.347 -3.709
263 H TYR 16 H TYR 16 -2.388 -4.348 -9.050
264 HA TYR 16 HA TYR 16 -3.921 -6.734 -8.571
265 HB2 TYR 16 HB2 TYR 16 -3.187 -5.105 -11.004
266 HB3 TYR 16 HB3 TYR 16 -3.778 -6.732 -11.248
267 HD1 TYR 16 HD1 TYR 16 -5.946 -7.367 -9.764
268 HD2 TYR 16 HD2 TYR 16 -4.863 -3.441 -11.177
269 HE1 TYR 16 HE1 TYR 16 -8.318 -6.646 -9.585
270 HE2 TYR 16 HE2 TYR 16 -7.232 -2.721 -11.005
271 HH TYR 16 HH TYR 16 -9.380 -3.322 -10.433
272 H LEU 17 H LEU 17 -0.762 -6.298 -10.253
273 HA LEU 17 HA LEU 17 -0.462 -9.073 -10.934
274 HB2 LEU 17 HB2 LEU 17 1.524 -6.784 -10.587
275 HB3 LEU 17 HB3 LEU 17 2.015 -8.378 -11.130
276 HG LEU 17 HG LEU 17 -0.087 -6.734 -12.600
277 HD11 LEU 17 HD11 LEU 17 1.723 -6.149 -14.181
278 HD12 LEU 17 HD12 LEU 17 2.909 -6.973 -13.143
279 HD13 LEU 17 HD13 LEU 17 2.061 -5.519 -12.565
280 HD21 LEU 17 HD21 LEU 17 1.569 -9.169 -13.414
281 HD22 LEU 17 HD22 LEU 17 0.487 -8.257 -14.488
282 HD23 LEU 17 HD23 LEU 17 -0.184 -9.142 -13.117
283 H VAL 18 H VAL 18 0.776 -7.260 -8.113
284 HA VAL 18 HA VAL 18 2.110 -9.578 -7.002
285 HB VAL 18 HB VAL 18 1.465 -6.839 -5.873
286 HG11 VAL 18 HG11 VAL 18 1.618 -8.269 -3.917
287 HG12 VAL 18 HG12 VAL 18 3.085 -9.052 -4.543
288 HG13 VAL 18 HG13 VAL 18 3.110 -7.343 -4.057
289 HG21 VAL 18 HG21 VAL 18 3.168 -6.945 -7.704
290 HG22 VAL 18 HG22 VAL 18 3.953 -6.576 -6.169
291 HG23 VAL 18 HG23 VAL 18 4.035 -8.214 -6.827
292 H CYS 19 HN CYS 19 -1.109 -8.097 -6.331
293 HA CYS 19 HA CYS 19 -1.670 -9.932 -4.137
294 HB2 CYS 19 HB2 CYS 19 -2.597 -7.643 -4.304
295 HB3 CYS 19 HB3 CYS 19 -3.490 -8.116 -5.753
296 H GLY 20 H GLY 20 -2.583 -9.797 -7.597
297 HA2 GLY 20 HA2 GLY 20 -3.232 -11.473 -9.037
298 HA3 GLY 20 HA3 GLY 20 -2.923 -12.666 -7.760
299 H GLU 21 H GLU 21 -4.728 -13.837 -8.207
300 HA GLU 21 HA GLU 21 -7.364 -12.893 -8.600
301 HB2 GLU 21 HB2 GLU 21 -6.406 -15.096 -9.259
302 HB3 GLU 21 HB3 GLU 21 -6.456 -15.609 -7.563
303 HG2 GLU 21 HG2 GLU 21 -8.905 -15.470 -7.563
304 HG3 GLU 21 HG3 GLU 21 -8.899 -14.747 -9.177
305 H ARG 22 H ARG 22 -5.625 -13.236 -5.614
306 HA ARG 22 HA ARG 22 -7.654 -13.729 -3.724
307 HB2 ARG 22 HB2 ARG 22 -5.124 -12.045 -3.558
308 HB3 ARG 22 HB3 ARG 22 -6.102 -12.484 -2.160
309 HG2 ARG 22 HG2 ARG 22 -5.733 -14.879 -2.607
310 HG3 ARG 22 HG3 ARG 22 -4.728 -14.490 -4.011
311 HD2 ARG 22 HD2 ARG 22 -4.162 -13.542 -1.180
312 HD3 ARG 22 HD3 ARG 22 -3.467 -15.005 -1.871
313 HE ARG 22 HE ARG 22 -2.818 -13.078 -3.733
314 HH11 ARG 22 HH11 ARG 22 -2.366 -12.806 -0.208
315 HH12 ARG 22 HH12 ARG 22 -0.681 -12.327 -0.442
316 HH21 ARG 22 HH22 ARG 22 -0.688 -12.310 -3.833
317 HH22 ARG 22 HH21 ARG 22 0.156 -11.982 -2.323
318 H GLY 23 H GLY 23 -6.814 -10.671 -5.306
319 HA2 GLY 23 HA2 GLY 23 -8.028 -8.698 -5.509
320 HA3 GLY 23 HA3 GLY 23 -9.306 -9.365 -4.478
321 H PHE 24 H PHE 24 -7.937 -6.721 -4.560
322 HA PHE 24 HA PHE 24 -7.014 -6.544 -1.732
323 HB2 PHE 24 HB2 PHE 24 -5.803 -4.505 -2.433
324 HB3 PHE 24 HB3 PHE 24 -5.246 -5.952 -3.239
325 HD1 PHE 24 HD1 PHE 24 -7.151 -2.786 -3.665
326 HD2 PHE 24 HD2 PHE 24 -5.365 -6.171 -5.655
327 HE1 PHE 24 HE1 PHE 24 -7.334 -1.604 -5.831
328 HE2 PHE 24 HE2 PHE 24 -5.522 -4.975 -7.808
329 HZ PHE 24 HZ PHE 24 -6.508 -2.693 -7.917
330 H PHE 25 H PHE 25 -7.695 -4.820 -0.453
331 HA PHE 25 HA PHE 25 -10.448 -3.898 -1.069
332 HB2 PHE 25 HB2 PHE 25 -10.604 -3.455 1.313
333 HB3 PHE 25 HB3 PHE 25 -10.093 -5.097 0.999
334 HD1 PHE 25 HD2 PHE 25 -8.887 -1.738 2.131
335 HD2 PHE 25 HD1 PHE 25 -8.052 -5.966 1.899
336 HE1 PHE 25 HE2 PHE 25 -6.994 -1.463 3.722
337 HE2 PHE 25 HE1 PHE 25 -6.169 -5.683 3.476
338 HZ PHE 25 HZ PHE 25 -5.637 -3.434 4.398
339 H TYR 26 H TYR 26 -7.353 -2.561 -1.316
340 HA TYR 26 HA TYR 26 -7.825 0.110 -0.398
341 HB2 TYR 26 HB2 TYR 26 -5.624 -0.887 -0.535
342 HB3 TYR 26 HB3 TYR 26 -5.766 -1.105 -2.273
343 HD1 TYR 26 HD1 TYR 26 -5.851 1.594 0.351
344 HD2 TYR 26 HD2 TYR 26 -4.808 0.501 -3.687
345 HE1 TYR 26 HE1 TYR 26 -4.826 3.835 0.011
346 HE2 TYR 26 HE2 TYR 26 -3.728 2.710 -4.017
347 HH TYR 26 HH TYR 26 -3.267 4.730 -3.097
348 H THR 27 H THR 27 -8.150 2.009 -1.458
349 HA THR 27 HA THR 27 -8.844 2.053 -4.365
350 HB THR 27 HB THR 27 -10.231 3.624 -2.155
351 HG1 THR 27 HG1 THR 27 -11.995 2.333 -2.755
352 HG21 THR 27 HG21 THR 27 -10.106 4.929 -4.264
353 HG22 THR 27 HG22 THR 27 -11.751 4.372 -3.958
354 HG23 THR 27 HG23 THR 27 -10.752 3.534 -5.163
355 HA PRO 28 HA PRO 28 -5.372 4.792 -4.011
356 HB2 PRO 28 HB2 PRO 28 -5.364 6.061 -6.462
357 HB3 PRO 28 HB3 PRO 28 -4.856 4.366 -6.191
358 HG2 PRO 28 HG2 PRO 28 -7.557 5.365 -7.129
359 HG3 PRO 28 HG3 PRO 28 -6.568 4.034 -7.811
360 HD2 PRO 28 HD2 PRO 28 -8.608 3.537 -6.118
361 HD3 PRO 28 HD3 PRO 28 -7.090 2.594 -6.007
362 H LYS 29 H LYS 29 -5.035 6.662 -2.992
363 HA LYS 29 HA LYS 29 -7.114 8.550 -2.478
364 HB2 LYS 29 HB2 LYS 29 -5.169 7.918 -1.024
365 HB3 LYS 29 HB3 LYS 29 -4.105 8.830 -2.093
366 HG2 LYS 29 HG2 LYS 29 -5.227 10.918 -1.523
367 HG3 LYS 29 HG3 LYS 29 -6.446 10.042 -0.571
368 HD2 LYS 29 HD2 LYS 29 -4.697 9.254 0.982
369 HD3 LYS 29 HD3 LYS 29 -3.444 10.051 0.009
370 HE2 LYS 29 HE2 LYS 29 -4.404 12.254 0.490
371 HE3 LYS 29 HE3 LYS 29 -5.770 11.517 1.340
372 HZ1 LYS 29 HZ1 LYS 29 -4.027 12.302 2.865
373 HZ2 LYS 29 HZ2 LYS 29 -2.933 11.267 2.218
374 HZ3 LYS 29 HZ3 LYS 29 -4.233 10.683 3.002
375 H THR 30 H THR 30 -4.806 8.380 -5.053
376 HA THR 30 HA THR 30 -5.167 11.115 -6.092
377 HB THR 30 HB THR 30 -3.843 10.146 -8.020
378 HG1 THR 30 HG1 THR 30 -3.041 8.075 -7.734
379 HG21 THR 30 HG21 THR 30 -2.673 11.267 -6.151
380 HG22 THR 30 HG22 THR 30 -1.727 9.917 -6.801
381 HG23 THR 30 HG23 THR 30 -2.596 9.728 -5.264
382 H LYS 31 H LYS 31 -7.085 8.362 -6.106
383 HA LYS 31 HA LYS 31 -9.033 7.825 -7.019
384 HB2 LYS 31 HB2 LYS 31 -9.360 10.333 -6.977
385 HB3 LYS 31 HB3 LYS 31 -8.958 10.362 -8.699
386 HG2 LYS 31 HG2 LYS 31 -10.859 8.874 -9.185
387 HG3 LYS 31 HG3 LYS 31 -11.226 8.745 -7.454
388 HD2 LYS 31 HD2 LYS 31 -11.616 11.202 -7.375
389 HD3 LYS 31 HD3 LYS 31 -11.296 11.321 -9.108
390 HE2 LYS 31 HE2 LYS 31 -13.520 9.649 -7.837
391 HE3 LYS 31 HE3 LYS 31 -13.736 11.287 -8.469
392 HZ1 LYS 31 HZ1 LYS 31 -14.395 9.647 -10.108
393 HZ2 LYS 31 HZ2 LYS 31 -12.920 8.946 -10.098
394 HZ3 LYS 31 HZ3 LYS 31 -13.098 10.470 -10.667
395 H ARG 32 H ARG 32 -6.522 8.632 -9.273
396 HA ARG 32 HA ARG 32 -5.602 7.582 -11.065
397 HB2 ARG 32 HB2 ARG 32 -5.941 5.535 -9.671
398 HB3 ARG 32 HB3 ARG 32 -7.457 5.233 -10.499
399 HG2 ARG 32 HG2 ARG 32 -5.420 5.634 -12.522
400 HG3 ARG 32 HG3 ARG 32 -4.743 4.587 -11.280
401 HD2 ARG 32 HD2 ARG 32 -5.758 3.254 -13.034
402 HD3 ARG 32 HD3 ARG 32 -6.660 3.035 -11.517
403 HE ARG 32 HE ARG 32 -7.930 5.143 -12.831
404 HH11 ARG 32 HH11 ARG 32 -7.441 1.761 -13.647
405 HH12 ARG 32 HH12 ARG 32 -8.886 1.712 -14.625
406 HH21 ARG 32 HH21 ARG 32 -9.690 5.015 -14.035
407 HH22 ARG 32 HH22 ARG 32 -10.147 3.535 -14.841
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 -3.259 6.159 1.625
2 H2 GLY 1 2H GLY 1 -4.620 6.962 1.188
3 H3 GLY 1 3H GLY 1 -3.154 7.463 0.641
4 HA2 GLY 1 HA2 GLY 1 -4.428 4.876 -0.019
5 HA3 GLY 1 HA3 GLY 1 -4.403 6.284 -1.105
6 H ILE 2 H ILE 2 -3.222 3.507 -1.291
7 HA ILE 2 HA ILE 2 -0.489 3.354 -0.750
8 HB ILE 2 HB ILE 2 -1.930 1.476 -1.342
9 HG12 ILE 2 HG12 ILE 2 -0.413 0.132 -2.714
10 HG13 ILE 2 HG13 ILE 2 0.451 1.576 -3.234
11 HG21 ILE 2 HG21 ILE 2 -2.513 0.878 -3.623
12 HG22 ILE 2 HG22 ILE 2 -3.214 2.444 -3.219
13 HG23 ILE 2 HG23 ILE 2 -1.776 2.364 -4.250
14 HD11 ILE 2 HD11 ILE 2 1.273 1.953 -0.940
15 HD12 ILE 2 HD12 ILE 2 0.279 0.598 -0.347
16 HD13 ILE 2 HD13 ILE 2 1.625 0.294 -1.445
17 H VAL 3 H VAL 3 -1.897 4.879 -3.591
18 HA VAL 3 HA VAL 3 0.501 5.056 -5.104
19 HB VAL 3 HB VAL 3 -1.853 5.429 -5.931
20 HG11 VAL 3 HG11 VAL 3 -1.437 8.305 -5.006
21 HG12 VAL 3 HG12 VAL 3 -2.791 7.671 -5.951
22 HG13 VAL 3 HG13 VAL 3 -2.565 7.141 -4.271
23 HG21 VAL 3 HG21 VAL 3 0.183 7.520 -6.809
24 HG22 VAL 3 HG22 VAL 3 0.170 5.820 -7.324
25 HG23 VAL 3 HG23 VAL 3 -1.177 6.889 -7.745
26 H GLU 4 H GLU 4 -0.561 7.077 -2.364
27 HA GLU 4 HA GLU 4 1.363 9.189 -3.009
28 HB2 GLU 4 HB2 GLU 4 0.540 10.392 -1.289
29 HB3 GLU 4 HB3 GLU 4 -0.865 9.446 -1.764
30 HG2 GLU 4 HG2 GLU 4 -0.179 7.859 0.197
31 HG3 GLU 4 HG3 GLU 4 0.912 9.145 0.687
32 H GLN 5 H GLN 5 1.739 6.092 -1.758
33 HA GLN 5 HA GLN 5 4.325 6.788 -0.396
34 HB2 GLN 5 HB2 GLN 5 2.845 4.115 -0.583
35 HB3 GLN 5 HB3 GLN 5 4.351 4.420 0.276
36 HG2 GLN 5 HG2 GLN 5 1.612 5.592 0.935
37 HG3 GLN 5 HG3 GLN 5 2.445 4.324 1.814
38 HE21 GLN 5 HE21 GLN 5 1.503 6.952 2.863
39 HE22 GLN 5 HE22 GLN 5 2.950 7.727 3.478
40 H CYS 6 HN CYS 6 2.981 4.443 -2.787
41 HA CYS 6 HA CYS 6 5.549 3.660 -3.738
42 HB2 CYS 6 HB2 CYS 6 2.742 3.364 -4.866
43 HB3 CYS 6 HB3 CYS 6 4.158 2.593 -5.554
44 H CYS 7 HN CYS 7 3.433 6.253 -4.982
45 HA CYS 7 HA CYS 7 5.017 6.521 -7.452
46 HB2 CYS 7 HB2 CYS 7 2.533 7.053 -7.108
47 HB3 CYS 7 HB3 CYS 7 3.059 8.527 -6.297
48 H THR 8 H THR 8 4.705 8.246 -4.374
49 HA THR 8 HA THR 8 6.486 10.409 -4.851
50 HB THR 8 HB THR 8 5.665 9.162 -2.200
51 HG1 THR 8 HG1 THR 8 3.808 10.196 -2.409
52 HG21 THR 8 HG21 THR 8 6.383 12.030 -2.983
53 HG22 THR 8 HG22 THR 8 7.319 10.954 -1.916
54 HG23 THR 8 HG23 THR 8 5.727 11.528 -1.406
55 H SER 9 H SER 9 7.053 7.206 -3.366
56 HA SER 9 HA SER 9 9.982 7.572 -3.655
57 HB2 SER 9 HB2 SER 9 9.277 8.385 -1.370
58 HB3 SER 9 HB3 SER 9 8.763 6.727 -1.013
59 HG SER 9 HG SER 9 10.955 7.241 -0.343
60 H ILE 10 H ILE 10 10.840 5.337 -2.463
61 HA ILE 10 HA ILE 10 9.722 3.107 -4.101
62 HB ILE 10 HB ILE 10 12.116 3.275 -2.233
63 HG12 ILE 10 HG12 ILE 10 11.805 3.034 -5.255
64 HG13 ILE 10 HG13 ILE 10 12.414 4.422 -4.360
65 HG21 ILE 10 HG21 ILE 10 10.997 0.891 -3.750
66 HG22 ILE 10 HG22 ILE 10 12.616 0.924 -3.012
67 HG23 ILE 10 HG23 ILE 10 11.189 1.038 -1.998
68 HD11 ILE 10 HD11 ILE 10 14.294 3.337 -5.339
69 HD12 ILE 10 HD12 ILE 10 14.370 3.010 -3.600
70 HD13 ILE 10 HD13 ILE 10 13.804 1.751 -4.733
71 H CYS 11 HN CYS 11 8.146 1.848 -3.399
72 HA CYS 11 HA CYS 11 7.637 1.595 -0.468
73 HB2 CYS 11 HB2 CYS 11 5.390 0.980 -0.996
74 HB3 CYS 11 HB3 CYS 11 5.776 2.502 -1.774
75 H SER 12 H SER 12 7.021 -0.546 0.306
76 HA SER 12 HA SER 12 8.785 -2.647 -0.876
77 HB2 SER 12 HB2 SER 12 9.093 -2.061 1.491
78 HB3 SER 12 HB3 SER 12 7.415 -2.502 1.833
79 HG SER 12 HG SER 12 9.046 -4.189 2.241
80 H LEU 13 H LEU 13 8.037 -4.837 -1.063
81 HA LEU 13 HA LEU 13 5.441 -5.202 -2.270
82 HB2 LEU 13 HB2 LEU 13 7.316 -7.286 -1.069
83 HB3 LEU 13 HB3 LEU 13 6.003 -7.583 -2.194
84 HG LEU 13 HG LEU 13 8.597 -6.099 -2.787
85 HD11 LEU 13 HD11 LEU 13 8.766 -8.566 -2.632
86 HD12 LEU 13 HD12 LEU 13 9.032 -7.995 -4.290
87 HD13 LEU 13 HD13 LEU 13 7.475 -8.729 -3.849
88 HD21 LEU 13 HD21 LEU 13 6.191 -6.580 -4.594
89 HD22 LEU 13 HD22 LEU 13 7.790 -6.066 -5.163
90 HD23 LEU 13 HD23 LEU 13 6.874 -5.011 -4.095
91 H TYR 14 H TYR 14 6.578 -5.440 1.073
92 HA TYR 14 HA TYR 14 4.261 -6.693 2.199
93 HB2 TYR 14 HB2 TYR 14 6.425 -6.436 3.350
94 HB3 TYR 14 HB3 TYR 14 6.232 -4.689 3.360
95 HD1 TYR 14 HD1 TYR 14 4.721 -7.880 4.619
96 HD2 TYR 14 HD2 TYR 14 5.008 -3.603 5.104
97 HE1 TYR 14 HE1 TYR 14 3.477 -8.043 6.765
98 HE2 TYR 14 HE2 TYR 14 3.780 -3.761 7.258
99 HH TYR 14 HH TYR 14 2.617 -6.900 8.562
100 H GLN 15 H GLN 15 4.830 -3.357 1.167
101 HA GLN 15 HA GLN 15 2.389 -2.316 2.486
102 HB2 GLN 15 HB2 GLN 15 4.184 -1.000 0.397
103 HB3 GLN 15 HB3 GLN 15 2.916 -0.220 1.318
104 HG2 GLN 15 HG2 GLN 15 5.496 -1.378 2.452
105 HG3 GLN 15 HG3 GLN 15 5.149 0.324 2.205
106 HE21 GLN 15 HE21 GLN 15 5.963 -0.626 4.735
107 HE22 GLN 15 HE22 GLN 15 4.588 -0.485 5.817
108 H LEU 16 H LEU 16 3.416 -3.433 -0.762
109 HA LEU 16 HA LEU 16 0.888 -2.881 -2.047
110 HB2 LEU 16 HB2 LEU 16 3.030 -4.974 -2.637
111 HB3 LEU 16 HB3 LEU 16 1.685 -4.580 -3.699
112 HG LEU 16 HG LEU 16 3.932 -2.680 -2.882
113 HD11 LEU 16 HD11 LEU 16 4.689 -2.914 -5.191
114 HD12 LEU 16 HD12 LEU 16 3.350 -4.025 -5.551
115 HD13 LEU 16 HD13 LEU 16 4.624 -4.498 -4.412
116 HD21 LEU 16 HD21 LEU 16 3.027 -1.206 -4.680
117 HD22 LEU 16 HD22 LEU 16 1.904 -1.371 -3.332
118 HD23 LEU 16 HD23 LEU 16 1.624 -2.279 -4.838
119 H GLU 17 H GLU 17 2.111 -5.832 -0.380
120 HA GLU 17 HA GLU 17 -0.289 -7.314 -0.671
121 HB2 GLU 17 HB2 GLU 17 1.974 -7.535 1.334
122 HB3 GLU 17 HB3 GLU 17 0.554 -8.590 1.373
123 HG2 GLU 17 HG2 GLU 17 1.020 -9.084 -1.106
124 HG3 GLU 17 HG3 GLU 17 2.620 -8.379 -0.834
125 H ASN 18 H ASN 18 0.405 -4.737 1.629
126 HA ASN 18 HA ASN 18 -1.628 -5.349 3.517
127 HB2 ASN 18 HB2 ASN 18 0.257 -3.705 3.782
128 HB3 ASN 18 HB3 ASN 18 -0.621 -2.611 2.699
129 HD21 ASN 18 HD22 ASN 18 -0.989 -4.443 5.793
130 HD22 ASN 18 HD21 ASN 18 -2.045 -3.249 6.525
131 H TYR 19 H TYR 19 -1.902 -4.143 0.259
132 HA TYR 19 HA TYR 19 -4.758 -3.364 0.648
133 HB2 TYR 19 HB2 TYR 19 -2.712 -2.704 -1.483
134 HB3 TYR 19 HB3 TYR 19 -4.431 -2.398 -1.696
135 HD1 TYR 19 HD2 TYR 19 -5.660 -0.783 -0.293
136 HD2 TYR 19 HD1 TYR 19 -1.419 -1.356 0.138
137 HE1 TYR 19 HE2 TYR 19 -5.526 1.286 1.085
138 HE2 TYR 19 HE1 TYR 19 -1.268 0.722 1.507
139 HH TYR 19 HH TYR 19 -4.155 2.725 2.241
140 H CYS 20 HN CYS 20 -3.168 -6.197 -0.117
141 HA CYS 20 HA CYS 20 -4.927 -7.167 -2.231
142 HB2 CYS 20 HB2 CYS 20 -3.423 -8.731 -0.114
143 HB3 CYS 20 HB3 CYS 20 -4.192 -9.393 -1.546
144 H ASN 21 H ASN 21 -6.769 -8.413 -2.031
145 HA ASN 21 HA ASN 21 -8.569 -7.576 0.084
146 HB2 ASN 21 HB2 ASN 21 -9.231 -7.741 -2.312
147 HB3 ASN 21 HB3 ASN 21 -8.983 -9.487 -2.252
148 HD21 ASN 21 HD22 ASN 21 -10.839 -6.891 -0.588
149 HD22 ASN 21 HD21 ASN 21 -12.265 -7.885 -0.349
150 H1 PHE 1 H1 PHE 1 7.482 -3.247 -11.628
151 H2 PHE 1 H2 PHE 1 8.525 -2.864 -12.833
152 H3 PHE 1 H3 PHE 1 8.469 -1.957 -11.470
153 HA PHE 1 HA PHE 1 9.310 -4.766 -11.596
154 HB2 PHE 1 HB2 PHE 1 10.942 -3.210 -12.654
155 HB3 PHE 1 HB3 PHE 1 11.018 -2.278 -11.167
156 HD1 PHE 1 HD2 PHE 1 11.547 -5.753 -12.545
157 HD2 PHE 1 HD1 PHE 1 12.654 -2.862 -9.532
158 HE1 PHE 1 HE2 PHE 1 13.321 -7.282 -11.713
159 HE2 PHE 1 HE1 PHE 1 14.411 -4.396 -8.702
160 HZ PHE 1 HZ PHE 1 14.750 -6.607 -9.794
161 H VAL 2 H VAL 2 10.310 -5.543 -9.542
162 HA VAL 2 HA VAL 2 8.538 -4.983 -7.326
163 HB VAL 2 HB VAL 2 9.958 -6.578 -6.048
164 HG11 VAL 2 HG11 VAL 2 7.981 -7.294 -7.341
165 HG12 VAL 2 HG12 VAL 2 9.008 -7.597 -8.756
166 HG13 VAL 2 HG13 VAL 2 9.228 -8.555 -7.279
167 HG21 VAL 2 HG21 VAL 2 11.666 -7.915 -7.157
168 HG22 VAL 2 HG22 VAL 2 11.481 -6.999 -8.660
169 HG23 VAL 2 HG23 VAL 2 12.145 -6.215 -7.206
170 H ASN 3 H ASN 3 8.956 -4.159 -5.294
171 HA ASN 3 HA ASN 3 9.635 -2.490 -3.919
172 HB2 ASN 3 HB2 ASN 3 11.793 -3.001 -2.835
173 HB3 ASN 3 HB3 ASN 3 10.704 -4.368 -3.016
174 HD21 ASN 3 HD21 ASN 3 13.554 -2.838 -4.654
175 HD22 ASN 3 HD22 ASN 3 14.266 -4.383 -5.122
176 H GLN 4 H GLN 4 9.345 -1.065 -5.948
177 HA GLN 4 HA GLN 4 11.579 0.863 -6.072
178 HB2 GLN 4 HB2 GLN 4 10.851 -1.024 -8.223
179 HB3 GLN 4 HB3 GLN 4 10.695 0.628 -8.767
180 HG2 GLN 4 HG2 GLN 4 13.195 -0.539 -7.453
181 HG3 GLN 4 HG3 GLN 4 12.945 -0.354 -9.184
182 HE21 GLN 4 HE21 GLN 4 15.189 0.860 -8.292
183 HE22 GLN 4 HE22 GLN 4 14.937 2.599 -8.197
184 H HIS 5 H HIS 5 10.711 2.730 -7.735
185 HA HIS 5 HA HIS 5 8.239 3.815 -6.643
186 HB2 HIS 5 HB2 HIS 5 9.996 4.534 -9.026
187 HB3 HIS 5 HB3 HIS 5 8.453 5.312 -8.740
188 HD1 HIS 5 HD1 HIS 5 8.472 7.376 -7.157
189 HD2 HIS 5 HD2 HIS 5 11.913 4.943 -6.973
190 HE1 HIS 5 HE1 HIS 5 10.201 8.679 -5.833
191 H LEU 6 H LEU 6 6.217 3.498 -7.299
192 HA LEU 6 HA LEU 6 5.514 2.212 -9.897
193 HB2 LEU 6 HB2 LEU 6 4.770 1.272 -7.093
194 HB3 LEU 6 HB3 LEU 6 3.896 0.769 -8.529
195 HG LEU 6 HG LEU 6 6.870 0.223 -8.103
196 HD11 LEU 6 HD11 LEU 6 4.439 -1.497 -7.480
197 HD12 LEU 6 HD12 LEU 6 5.614 -0.850 -6.323
198 HD13 LEU 6 HD13 LEU 6 6.122 -2.076 -7.500
199 HD21 LEU 6 HD21 LEU 6 6.424 -1.521 -9.855
200 HD22 LEU 6 HD22 LEU 6 6.205 0.131 -10.449
201 HD23 LEU 6 HD23 LEU 6 4.787 -0.867 -10.058
202 H CYS 7 HN CYS 7 3.854 3.341 -10.820
203 HA CYS 7 HA CYS 7 1.934 4.814 -9.081
204 HB2 CYS 7 HB2 CYS 7 4.047 6.151 -9.735
205 HB3 CYS 7 HB3 CYS 7 3.383 6.197 -11.361
206 H GLY 8 H GLY 8 -0.086 5.167 -9.959
207 HA2 GLY 8 HA2 GLY 8 -1.927 4.839 -11.324
208 HA3 GLY 8 HA3 GLY 8 -0.817 5.224 -12.645
209 H SER 9 H SER 9 -1.064 3.791 -14.225
210 HA SER 9 HA SER 9 -2.166 1.177 -14.058
211 HB2 SER 9 HB2 SER 9 -1.205 0.955 -16.360
212 HB3 SER 9 HB3 SER 9 -2.195 2.399 -16.105
213 HG SER 9 HG SER 9 -0.211 2.877 -17.220
214 H HIS 10 H HIS 10 1.245 2.222 -13.780
215 HA HIS 10 HA HIS 10 2.331 -0.472 -13.909
216 HB2 HIS 10 HB2 HIS 10 3.520 1.690 -14.418
217 HB3 HIS 10 HB3 HIS 10 3.524 2.056 -12.700
218 HD1 HIS 10 HD1 HIS 10 6.262 2.136 -13.367
219 HD2 HIS 10 HD2 HIS 10 4.348 -1.607 -13.285
220 HE1 HIS 10 HE1 HIS 10 8.108 0.396 -13.242
221 H LEU 11 H LEU 11 1.225 1.622 -11.224
222 HA LEU 11 HA LEU 11 1.948 -0.257 -9.122
223 HB2 LEU 11 HB2 LEU 11 1.691 2.167 -8.746
224 HB3 LEU 11 HB3 LEU 11 -0.005 2.096 -9.198
225 HG LEU 11 HG LEU 11 -0.518 0.756 -7.212
226 HD11 LEU 11 HD11 LEU 11 2.439 0.992 -6.525
227 HD12 LEU 11 HD12 LEU 11 1.570 -0.516 -6.901
228 HD13 LEU 11 HD13 LEU 11 1.169 0.399 -5.441
229 HD21 LEU 11 HD21 LEU 11 0.028 2.523 -5.524
230 HD22 LEU 11 HD22 LEU 11 -0.571 3.204 -7.040
231 HD23 LEU 11 HD23 LEU 11 1.163 3.251 -6.670
232 H VAL 12 H VAL 12 -1.058 0.417 -10.920
233 HA VAL 12 HA VAL 12 -2.706 -1.561 -9.696
234 HB VAL 12 HB VAL 12 -2.672 -0.356 -12.477
235 HG11 VAL 12 HG11 VAL 12 -4.929 -1.270 -12.876
236 HG12 VAL 12 HG12 VAL 12 -3.723 -2.552 -12.802
237 HG13 VAL 12 HG13 VAL 12 -4.801 -2.258 -11.410
238 HG21 VAL 12 HG21 VAL 12 -3.336 1.109 -10.577
239 HG22 VAL 12 HG22 VAL 12 -4.688 0.822 -11.674
240 HG23 VAL 12 HG23 VAL 12 -4.598 -0.050 -10.131
241 H GLU 13 H GLU 13 -0.494 -1.880 -12.555
242 HA GLU 13 HA GLU 13 -0.912 -4.671 -12.944
243 HB2 GLU 13 HB2 GLU 13 0.080 -3.110 -14.581
244 HB3 GLU 13 HB3 GLU 13 1.535 -2.973 -13.583
245 HG2 GLU 13 HG2 GLU 13 2.026 -5.349 -13.900
246 HG3 GLU 13 HG3 GLU 13 0.501 -5.594 -14.742
247 H ALA 14 H ALA 14 1.583 -2.957 -10.950
248 HA ALA 14 HA ALA 14 2.901 -5.305 -10.018
249 HB1 ALA 14 HB1 ALA 14 3.805 -3.026 -9.805
250 HB2 ALA 14 HB2 ALA 14 2.516 -2.602 -8.660
251 HB3 ALA 14 HB3 ALA 14 3.732 -3.824 -8.229
252 H LEU 15 H LEU 15 0.008 -3.608 -8.691
253 HA LEU 15 HA LEU 15 -0.312 -5.388 -6.446
254 HB2 LEU 15 HB2 LEU 15 -2.189 -3.522 -7.941
255 HB3 LEU 15 HB3 LEU 15 -2.711 -4.464 -6.550
256 HG LEU 15 HG LEU 15 -0.316 -2.603 -6.373
257 HD11 LEU 15 HD11 LEU 15 -3.219 -1.922 -5.751
258 HD12 LEU 15 HD12 LEU 15 -2.263 -1.273 -7.102
259 HD13 LEU 15 HD13 LEU 15 -1.803 -0.896 -5.433
260 HD21 LEU 15 HD21 LEU 15 -0.549 -4.286 -4.553
261 HD22 LEU 15 HD22 LEU 15 -2.218 -3.742 -4.262
262 HD23 LEU 15 HD23 LEU 15 -0.856 -2.649 -3.949
263 H TYR 16 H TYR 16 -1.621 -5.594 -9.802
264 HA TYR 16 HA TYR 16 -3.056 -8.042 -9.390
265 HB2 TYR 16 HB2 TYR 16 -1.806 -6.715 -11.804
266 HB3 TYR 16 HB3 TYR 16 -2.350 -8.373 -11.919
267 HD1 TYR 16 HD1 TYR 16 -4.793 -8.863 -10.978
268 HD2 TYR 16 HD2 TYR 16 -3.382 -5.063 -12.438
269 HE1 TYR 16 HE1 TYR 16 -7.143 -8.162 -11.407
270 HE2 TYR 16 HE2 TYR 16 -5.724 -4.351 -12.863
271 HH TYR 16 HH TYR 16 -7.943 -4.928 -12.761
272 H LEU 17 H LEU 17 0.389 -7.513 -10.276
273 HA LEU 17 HA LEU 17 1.048 -10.313 -10.425
274 HB2 LEU 17 HB2 LEU 17 2.721 -7.801 -10.019
275 HB3 LEU 17 HB3 LEU 17 3.432 -9.394 -10.211
276 HG LEU 17 HG LEU 17 1.600 -8.143 -12.307
277 HD11 LEU 17 HD11 LEU 17 4.648 -8.188 -12.175
278 HD12 LEU 17 HD12 LEU 17 3.611 -6.755 -11.996
279 HD13 LEU 17 HD13 LEU 17 3.675 -7.612 -13.545
280 HD21 LEU 17 HD21 LEU 17 2.613 -9.835 -13.804
281 HD22 LEU 17 HD22 LEU 17 1.740 -10.596 -12.473
282 HD23 LEU 17 HD23 LEU 17 3.517 -10.510 -12.430
283 H VAL 18 H VAL 18 1.421 -7.979 -7.741
284 HA VAL 18 HA VAL 18 2.650 -9.880 -5.963
285 HB VAL 18 HB VAL 18 1.358 -7.175 -5.517
286 HG11 VAL 18 HG11 VAL 18 2.693 -8.936 -3.420
287 HG12 VAL 18 HG12 VAL 18 2.379 -7.196 -3.228
288 HG13 VAL 18 HG13 VAL 18 1.029 -8.314 -3.393
289 HG21 VAL 18 HG21 VAL 18 4.247 -8.176 -5.324
290 HG22 VAL 18 HG22 VAL 18 3.584 -7.293 -6.708
291 HG23 VAL 18 HG23 VAL 18 3.697 -6.500 -5.134
292 H CYS 19 HN CYS 19 -0.796 -8.710 -6.141
293 HA CYS 19 HA CYS 19 -1.565 -10.453 -3.937
294 HB2 CYS 19 HB2 CYS 19 -3.265 -8.885 -5.894
295 HB3 CYS 19 HB3 CYS 19 -3.826 -9.663 -4.416
296 H GLY 20 H GLY 20 -1.722 -10.752 -7.481
297 HA2 GLY 20 HA2 GLY 20 -2.128 -12.600 -8.825
298 HA3 GLY 20 HA3 GLY 20 -1.904 -13.607 -7.382
299 H GLU 21 H GLU 21 -3.553 -14.969 -7.387
300 HA GLU 21 HA GLU 21 -6.183 -14.494 -8.342
301 HB2 GLU 21 HB2 GLU 21 -4.981 -16.683 -8.064
302 HB3 GLU 21 HB3 GLU 21 -5.246 -16.577 -6.324
303 HG2 GLU 21 HG2 GLU 21 -7.681 -16.687 -6.670
304 HG3 GLU 21 HG3 GLU 21 -7.461 -16.586 -8.423
305 H ARG 22 H ARG 22 -4.770 -13.589 -5.262
306 HA ARG 22 HA ARG 22 -7.106 -13.600 -3.615
307 HB2 ARG 22 HB2 ARG 22 -4.639 -11.820 -3.484
308 HB3 ARG 22 HB3 ARG 22 -5.845 -11.984 -2.213
309 HG2 ARG 22 HG2 ARG 22 -5.341 -14.356 -1.939
310 HG3 ARG 22 HG3 ARG 22 -4.140 -14.304 -3.237
311 HD2 ARG 22 HD2 ARG 22 -3.954 -12.570 -0.736
312 HD3 ARG 22 HD3 ARG 22 -3.256 -14.197 -0.857
313 HE ARG 22 HE ARG 22 -2.309 -12.798 -3.088
314 HH11 ARG 22 HH11 ARG 22 -1.932 -12.503 0.458
315 HH12 ARG 22 HH12 ARG 22 -0.278 -11.919 0.260
316 HH21 ARG 22 HH21 ARG 22 -0.089 -12.036 -3.101
317 HH22 ARG 22 HH22 ARG 22 0.638 -11.679 -1.546
318 H GLY 23 H GLY 23 -5.937 -11.205 -5.968
319 HA2 GLY 23 HA2 GLY 23 -6.888 -9.234 -6.787
320 HA3 GLY 23 HA3 GLY 23 -8.364 -9.579 -5.859
321 H PHE 24 H PHE 24 -7.810 -7.040 -5.879
322 HA PHE 24 HA PHE 24 -6.876 -6.289 -3.201
323 HB2 PHE 24 HB2 PHE 24 -5.100 -4.873 -4.008
324 HB3 PHE 24 HB3 PHE 24 -4.892 -6.494 -4.649
325 HD1 PHE 24 HD2 PHE 24 -5.098 -7.011 -7.009
326 HD2 PHE 24 HD1 PHE 24 -5.624 -2.986 -5.533
327 HE1 PHE 24 HE2 PHE 24 -4.846 -6.132 -9.297
328 HE2 PHE 24 HE1 PHE 24 -5.345 -2.115 -7.849
329 HZ PHE 24 HZ PHE 24 -4.964 -3.691 -9.733
330 H PHE 25 H PHE 25 -6.974 -3.934 -2.851
331 HA PHE 25 HA PHE 25 -9.116 -2.545 -4.423
332 HB2 PHE 25 HB2 PHE 25 -9.946 -3.286 -2.227
333 HB3 PHE 25 HB3 PHE 25 -8.602 -2.485 -1.428
334 HD1 PHE 25 HD2 PHE 25 -11.412 -1.722 -3.834
335 HD2 PHE 25 HD1 PHE 25 -8.976 -0.330 -0.553
336 HE1 PHE 25 HE2 PHE 25 -12.763 0.355 -3.706
337 HE2 PHE 25 HE1 PHE 25 -10.348 1.725 -0.406
338 HZ PHE 25 HZ PHE 25 -12.242 2.082 -1.984
339 H TYR 26 H TYR 26 -8.179 -0.985 -5.576
340 HA TYR 26 HA TYR 26 -5.631 0.221 -4.859
341 HB2 TYR 26 HB2 TYR 26 -6.446 -0.242 -7.202
342 HB3 TYR 26 HB3 TYR 26 -7.628 1.043 -7.004
343 HD1 TYR 26 HD2 TYR 26 -4.052 0.227 -7.393
344 HD2 TYR 26 HD1 TYR 26 -6.922 3.427 -7.011
345 HE1 TYR 26 HE2 TYR 26 -2.353 1.852 -8.194
346 HE2 TYR 26 HE1 TYR 26 -5.208 5.054 -7.787
347 HH TYR 26 HH TYR 26 -3.063 5.348 -8.563
348 H THR 27 H THR 27 -5.226 2.210 -3.944
349 HA THR 27 HA THR 27 -7.533 3.975 -3.216
350 HB THR 27 HB THR 27 -6.332 4.503 -1.109
351 HG1 THR 27 HG1 THR 27 -5.152 1.963 -1.366
352 HG21 THR 27 HG21 THR 27 -7.261 2.592 0.081
353 HG22 THR 27 HG22 THR 27 -7.328 1.643 -1.425
354 HG23 THR 27 HG23 THR 27 -8.354 3.076 -1.220
355 HA PRO 28 HA PRO 28 -4.803 7.006 -5.239
356 HB2 PRO 28 HB2 PRO 28 -7.357 8.558 -5.042
357 HB3 PRO 28 HB3 PRO 28 -6.260 8.363 -6.439
358 HG2 PRO 28 HG2 PRO 28 -8.645 7.067 -6.353
359 HG3 PRO 28 HG3 PRO 28 -7.181 6.233 -6.960
360 HD2 PRO 28 HD2 PRO 28 -8.376 6.103 -4.168
361 HD3 PRO 28 HD3 PRO 28 -7.868 4.762 -5.237
362 H LYS 29 H LYS 29 -4.354 9.346 -4.556
363 HA LYS 29 HA LYS 29 -4.404 9.711 -1.653
364 HB2 LYS 29 HB2 LYS 29 -2.542 10.444 -3.104
365 HB3 LYS 29 HB3 LYS 29 -3.606 11.606 -3.914
366 HG2 LYS 29 HG2 LYS 29 -3.893 12.883 -1.882
367 HG3 LYS 29 HG3 LYS 29 -3.125 11.613 -0.908
368 HD2 LYS 29 HD2 LYS 29 -0.963 12.052 -1.997
369 HD3 LYS 29 HD3 LYS 29 -1.711 13.229 -3.069
370 HE2 LYS 29 HE2 LYS 29 -0.454 14.277 -1.206
371 HE3 LYS 29 HE3 LYS 29 -2.149 14.756 -1.251
372 HZ1 LYS 29 HZ1 LYS 29 -1.165 12.589 0.541
373 HZ2 LYS 29 HZ2 LYS 29 -2.613 13.331 0.585
374 HZ3 LYS 29 HZ3 LYS 29 -1.283 14.167 1.005
375 H THR 30 H THR 30 -6.476 10.673 -4.313
376 HA THR 30 HA THR 30 -7.797 12.909 -3.010
377 HB THR 30 HB THR 30 -9.407 12.645 -4.952
378 HG1 THR 30 HG1 THR 30 -8.775 11.175 -6.548
379 HG21 THR 30 HG21 THR 30 -7.421 14.133 -5.065
380 HG22 THR 30 HG22 THR 30 -7.790 13.405 -6.639
381 HG23 THR 30 HG23 THR 30 -6.439 12.778 -5.678
382 H LYS 31 H LYS 31 -8.565 9.442 -3.289
383 HA LYS 31 HA LYS 31 -11.205 9.782 -2.070
384 HB2 LYS 31 HB2 LYS 31 -9.592 7.263 -2.633
385 HB3 LYS 31 HB3 LYS 31 -11.265 7.331 -2.059
386 HG2 LYS 31 HG2 LYS 31 -11.849 8.657 -4.152
387 HG3 LYS 31 HG3 LYS 31 -10.207 8.368 -4.727
388 HD2 LYS 31 HD2 LYS 31 -11.632 6.782 -5.786
389 HD3 LYS 31 HD3 LYS 31 -10.648 5.886 -4.615
390 HE2 LYS 31 HE2 LYS 31 -12.538 5.886 -3.012
391 HE3 LYS 31 HE3 LYS 31 -13.499 6.858 -4.132
392 HZ1 LYS 31 HZ1 LYS 31 -12.513 4.111 -4.679
393 HZ2 LYS 31 HZ2 LYS 31 -13.431 5.004 -5.705
394 HZ3 LYS 31 HZ3 LYS 31 -14.051 4.506 -4.280
395 H ARG 32 H ARG 32 -11.791 9.638 -0.025
396 HA ARG 32 HA ARG 32 -10.272 8.561 2.188
397 HB2 ARG 32 HB2 ARG 32 -8.931 10.576 1.764
398 HB3 ARG 32 HB3 ARG 32 -10.386 11.570 1.764
399 HG2 ARG 32 HG2 ARG 32 -9.134 11.893 3.786
400 HG3 ARG 32 HG3 ARG 32 -10.689 11.187 4.179
401 HD2 ARG 32 HD2 ARG 32 -8.124 9.548 3.928
402 HD3 ARG 32 HD3 ARG 32 -8.638 10.318 5.436
403 HE ARG 32 HE ARG 32 -10.804 8.763 4.413
404 HH11 ARG 32 HH21 ARG 32 -7.739 8.226 6.029
405 HH12 ARG 32 HH22 ARG 32 -8.281 6.714 6.710
406 HH21 ARG 32 HH12 ARG 32 -11.403 6.903 5.264
407 HH22 ARG 32 HH11 ARG 32 -10.331 5.972 6.278
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 -2.208 8.177 0.314
2 H2 GLY 1 2H GLY 1 -1.497 7.262 1.477
3 H3 GLY 1 3H GLY 1 -3.076 7.671 1.610
4 HA2 GLY 1 HA2 GLY 1 -2.983 5.397 0.959
5 HA3 GLY 1 HA3 GLY 1 -3.610 6.380 -0.389
6 H ILE 2 H ILE 2 -2.505 3.848 -0.826
7 HA ILE 2 HA ILE 2 0.275 3.770 -1.235
8 HB ILE 2 HB ILE 2 -1.294 1.839 -1.095
9 HG12 ILE 2 HG12 ILE 2 -0.113 0.315 -2.624
10 HG13 ILE 2 HG13 ILE 2 0.617 1.687 -3.456
11 HG21 ILE 2 HG21 ILE 2 -1.806 2.282 -4.062
12 HG22 ILE 2 HG22 ILE 2 -2.361 0.931 -3.061
13 HG23 ILE 2 HG23 ILE 2 -2.993 2.559 -2.760
14 HD11 ILE 2 HD11 ILE 2 0.996 1.057 -0.490
15 HD12 ILE 2 HD12 ILE 2 2.100 0.537 -1.776
16 HD13 ILE 2 HD13 ILE 2 1.895 2.263 -1.448
17 H VAL 3 H VAL 3 -2.158 4.935 -3.484
18 HA VAL 3 HA VAL 3 -0.390 5.115 -5.749
19 HB VAL 3 HB VAL 3 -2.955 6.655 -5.227
20 HG11 VAL 3 HG11 VAL 3 -1.777 7.758 -7.049
21 HG12 VAL 3 HG12 VAL 3 -1.449 6.190 -7.837
22 HG13 VAL 3 HG13 VAL 3 -3.109 6.823 -7.722
23 HG21 VAL 3 HG21 VAL 3 -3.361 4.216 -5.205
24 HG22 VAL 3 HG22 VAL 3 -4.017 4.931 -6.680
25 HG23 VAL 3 HG23 VAL 3 -2.497 4.043 -6.745
26 H GLU 4 H GLU 4 -0.735 7.200 -2.972
27 HA GLU 4 HA GLU 4 0.873 9.373 -4.179
28 HB2 GLU 4 HB2 GLU 4 0.083 8.839 -1.291
29 HB3 GLU 4 HB3 GLU 4 0.886 10.289 -1.888
30 HG2 GLU 4 HG2 GLU 4 -1.059 10.978 -3.132
31 HG3 GLU 4 HG3 GLU 4 -1.868 9.426 -2.863
32 H GLN 5 H GLN 5 1.229 6.675 -1.866
33 HA GLN 5 HA GLN 5 3.876 7.366 -1.045
34 HB2 GLN 5 HB2 GLN 5 2.339 6.078 0.354
35 HB3 GLN 5 HB3 GLN 5 2.306 4.770 -0.827
36 HG2 GLN 5 HG2 GLN 5 3.683 4.141 1.062
37 HG3 GLN 5 HG3 GLN 5 4.677 4.253 -0.383
38 HE21 GLN 5 HE21 GLN 5 6.071 6.263 -0.615
39 HE22 GLN 5 HE22 GLN 5 6.594 7.048 0.879
40 H CYS 6 HN CYS 6 2.790 4.838 -3.384
41 HA CYS 6 HA CYS 6 5.501 3.975 -4.033
42 HB2 CYS 6 HB2 CYS 6 2.784 3.644 -5.336
43 HB3 CYS 6 HB3 CYS 6 4.258 2.961 -6.004
44 H CYS 7 HN CYS 7 3.541 6.663 -5.081
45 HA CYS 7 HA CYS 7 4.961 6.928 -7.663
46 HB2 CYS 7 HB2 CYS 7 2.505 7.310 -7.314
47 HB3 CYS 7 HB3 CYS 7 2.899 8.786 -6.434
48 H THR 8 H THR 8 4.641 8.833 -4.638
49 HA THR 8 HA THR 8 6.623 10.820 -5.416
50 HB THR 8 HB THR 8 6.370 11.657 -3.120
51 HG1 THR 8 HG1 THR 8 4.445 9.596 -2.774
52 HG21 THR 8 HG21 THR 8 3.694 11.047 -4.454
53 HG22 THR 8 HG22 THR 8 4.775 12.404 -4.833
54 HG23 THR 8 HG23 THR 8 4.010 12.306 -3.240
55 H SER 9 H SER 9 6.880 7.725 -3.802
56 HA SER 9 HA SER 9 9.808 8.037 -3.700
57 HB2 SER 9 HB2 SER 9 8.875 8.868 -1.497
58 HB3 SER 9 HB3 SER 9 8.296 7.217 -1.208
59 HG SER 9 HG SER 9 10.413 7.692 -0.291
60 H ILE 10 H ILE 10 10.546 5.825 -2.477
61 HA ILE 10 HA ILE 10 9.738 3.662 -4.338
62 HB ILE 10 HB ILE 10 11.903 3.948 -2.233
63 HG12 ILE 10 HG12 ILE 10 11.948 3.554 -5.264
64 HG13 ILE 10 HG13 ILE 10 12.224 5.076 -4.414
65 HG21 ILE 10 HG21 ILE 10 11.263 1.453 -3.843
66 HG22 ILE 10 HG22 ILE 10 12.711 1.686 -2.844
67 HG23 ILE 10 HG23 ILE 10 11.135 1.628 -2.075
68 HD11 ILE 10 HD11 ILE 10 14.242 4.056 -3.319
69 HD12 ILE 10 HD12 ILE 10 14.033 2.645 -4.393
70 HD13 ILE 10 HD13 ILE 10 14.341 4.243 -5.078
71 H CYS 11 HN CYS 11 8.463 1.996 -3.902
72 HA CYS 11 HA CYS 11 7.723 1.379 -1.078
73 HB2 CYS 11 HB2 CYS 11 5.463 1.004 -1.637
74 HB3 CYS 11 HB3 CYS 11 5.875 2.589 -2.291
75 H SER 12 H SER 12 7.014 -0.900 -0.804
76 HA SER 12 HA SER 12 8.532 -2.744 -2.609
77 HB2 SER 12 HB2 SER 12 8.885 -4.133 -0.666
78 HB3 SER 12 HB3 SER 12 9.437 -2.488 -0.310
79 HG SER 12 HG SER 12 8.208 -3.271 1.422
80 H LEU 13 H LEU 13 7.727 -4.981 -2.712
81 HA LEU 13 HA LEU 13 4.960 -5.217 -3.376
82 HB2 LEU 13 HB2 LEU 13 7.226 -7.152 -2.848
83 HB3 LEU 13 HB3 LEU 13 5.577 -7.755 -2.970
84 HG LEU 13 HG LEU 13 5.271 -6.884 -5.174
85 HD11 LEU 13 HD11 LEU 13 6.623 -4.863 -5.237
86 HD12 LEU 13 HD12 LEU 13 7.119 -5.949 -6.537
87 HD13 LEU 13 HD13 LEU 13 8.114 -5.812 -5.072
88 HD21 LEU 13 HD21 LEU 13 7.860 -8.460 -4.944
89 HD22 LEU 13 HD22 LEU 13 6.818 -8.368 -6.379
90 HD23 LEU 13 HD23 LEU 13 6.222 -9.132 -4.895
91 H TYR 14 H TYR 14 6.554 -5.573 -0.236
92 HA TYR 14 HA TYR 14 4.323 -6.784 1.113
93 HB2 TYR 14 HB2 TYR 14 6.626 -6.708 2.007
94 HB3 TYR 14 HB3 TYR 14 6.511 -4.961 2.180
95 HD1 TYR 14 HD1 TYR 14 5.080 -8.201 3.363
96 HD2 TYR 14 HD2 TYR 14 5.462 -3.969 4.106
97 HE1 TYR 14 HE1 TYR 14 4.069 -8.510 5.609
98 HE2 TYR 14 HE2 TYR 14 4.438 -4.270 6.351
99 HH TYR 14 HH TYR 14 3.394 -7.487 7.564
100 H GLN 15 H GLN 15 5.008 -3.416 0.233
101 HA GLN 15 HA GLN 15 2.710 -2.337 1.736
102 HB2 GLN 15 HB2 GLN 15 4.385 -1.041 -0.459
103 HB3 GLN 15 HB3 GLN 15 3.222 -0.227 0.571
104 HG2 GLN 15 HG2 GLN 15 5.828 -1.506 1.493
105 HG3 GLN 15 HG3 GLN 15 5.528 0.210 1.298
106 HE21 GLN 15 HE22 GLN 15 6.466 -0.931 3.744
107 HE22 GLN 15 HE21 GLN 15 5.193 -0.694 4.931
108 H LEU 16 H LEU 16 3.253 -3.701 -1.483
109 HA LEU 16 HA LEU 16 0.653 -2.827 -2.514
110 HB2 LEU 16 HB2 LEU 16 2.519 -5.061 -3.440
111 HB3 LEU 16 HB3 LEU 16 1.143 -4.441 -4.332
112 HG LEU 16 HG LEU 16 3.695 -2.919 -3.665
113 HD11 LEU 16 HD11 LEU 16 4.082 -3.010 -6.088
114 HD12 LEU 16 HD12 LEU 16 2.587 -3.946 -6.312
115 HD13 LEU 16 HD13 LEU 16 3.953 -4.633 -5.401
116 HD21 LEU 16 HD21 LEU 16 2.817 -1.141 -5.154
117 HD22 LEU 16 HD22 LEU 16 1.843 -1.312 -3.690
118 HD23 LEU 16 HD23 LEU 16 1.254 -1.987 -5.227
119 H GLU 17 H GLU 17 1.899 -5.925 -1.179
120 HA GLU 17 HA GLU 17 -0.632 -7.255 -1.252
121 HB2 GLU 17 HB2 GLU 17 1.848 -7.764 0.429
122 HB3 GLU 17 HB3 GLU 17 0.396 -8.781 0.476
123 HG2 GLU 17 HG2 GLU 17 0.616 -9.022 -2.062
124 HG3 GLU 17 HG3 GLU 17 2.236 -8.343 -1.893
125 H ASN 18 H ASN 18 0.542 -4.855 1.032
126 HA ASN 18 HA ASN 18 -1.117 -5.334 3.258
127 HB2 ASN 18 HB2 ASN 18 0.645 -3.632 3.170
128 HB3 ASN 18 HB3 ASN 18 -0.279 -2.725 1.966
129 HD21 ASN 18 HD21 ASN 18 -1.881 -1.270 2.668
130 HD22 ASN 18 HD22 ASN 18 -2.311 -1.087 4.357
131 H TYR 19 H TYR 19 -1.998 -4.102 0.068
132 HA TYR 19 HA TYR 19 -4.796 -3.496 0.898
133 HB2 TYR 19 HB2 TYR 19 -3.193 -2.863 -1.608
134 HB3 TYR 19 HB3 TYR 19 -4.893 -2.463 -1.373
135 HD1 TYR 19 HD2 TYR 19 -5.586 -0.825 0.396
136 HD2 TYR 19 HD1 TYR 19 -1.444 -1.629 -0.440
137 HE1 TYR 19 HE2 TYR 19 -4.936 1.242 1.632
138 HE2 TYR 19 HE1 TYR 19 -0.781 0.374 0.872
139 HH TYR 19 HH TYR 19 -1.514 2.211 2.062
140 H CYS 20 HN CYS 20 -3.181 -6.189 -0.106
141 HA CYS 20 HA CYS 20 -5.231 -7.352 -1.893
142 HB2 CYS 20 HB2 CYS 20 -2.709 -7.784 -1.971
143 HB3 CYS 20 HB3 CYS 20 -2.923 -8.688 -0.468
144 H ASN 21 H ASN 21 -6.065 -9.554 -1.188
145 HA ASN 21 HA ASN 21 -7.394 -9.374 1.464
146 HB2 ASN 21 HB2 ASN 21 -7.868 -11.002 -1.038
147 HB3 ASN 21 HB3 ASN 21 -8.436 -11.610 0.512
148 HD21 ASN 21 HD21 ASN 21 -8.736 -8.851 -1.717
149 HD22 ASN 21 HD22 ASN 21 -10.293 -8.319 -1.068
150 H1 PHE 1 H1 PHE 1 17.319 -5.113 -3.051
151 H2 PHE 1 H2 PHE 1 16.298 -4.026 -3.747
152 H3 PHE 1 H3 PHE 1 16.669 -5.415 -4.526
153 HA PHE 1 HA PHE 1 15.560 -6.737 -2.869
154 HB2 PHE 1 HB2 PHE 1 16.028 -5.203 -1.000
155 HB3 PHE 1 HB3 PHE 1 14.906 -4.021 -1.640
156 HD1 PHE 1 HD1 PHE 1 15.037 -7.623 -0.489
157 HD2 PHE 1 HD2 PHE 1 12.698 -4.000 -0.781
158 HE1 PHE 1 HE1 PHE 1 13.200 -8.695 0.791
159 HE2 PHE 1 HE2 PHE 1 10.876 -5.081 0.503
160 HZ PHE 1 HZ PHE 1 11.116 -7.439 1.278
161 H VAL 2 H VAL 2 12.927 -6.636 -2.593
162 HA VAL 2 HA VAL 2 11.902 -6.115 -5.300
163 HB VAL 2 HB VAL 2 9.805 -7.189 -4.477
164 HG11 VAL 2 HG11 VAL 2 10.727 -9.455 -4.638
165 HG12 VAL 2 HG12 VAL 2 11.525 -8.363 -5.780
166 HG13 VAL 2 HG13 VAL 2 12.357 -8.838 -4.285
167 HG21 VAL 2 HG21 VAL 2 9.818 -8.575 -2.480
168 HG22 VAL 2 HG22 VAL 2 11.455 -8.047 -2.056
169 HG23 VAL 2 HG23 VAL 2 10.104 -6.899 -1.988
170 H ASN 3 H ASN 3 12.357 -3.815 -4.986
171 HA ASN 3 HA ASN 3 9.940 -2.350 -4.294
172 HB2 ASN 3 HB2 ASN 3 10.970 -0.883 -2.651
173 HB3 ASN 3 HB3 ASN 3 11.061 -2.540 -2.098
174 HD21 ASN 3 HD21 ASN 3 12.638 -0.457 -1.023
175 HD22 ASN 3 HD22 ASN 3 14.310 -0.787 -1.423
176 H GLN 4 H GLN 4 9.782 -0.256 -5.093
177 HA GLN 4 HA GLN 4 11.746 1.235 -6.490
178 HB2 GLN 4 HB2 GLN 4 10.590 -1.002 -8.019
179 HB3 GLN 4 HB3 GLN 4 10.140 0.505 -8.754
180 HG2 GLN 4 HG2 GLN 4 13.027 -0.264 -8.135
181 HG3 GLN 4 HG3 GLN 4 12.208 -0.529 -9.668
182 HE21 GLN 4 HE21 GLN 4 14.082 0.809 -10.520
183 HE22 GLN 4 HE22 GLN 4 13.891 2.558 -10.463
184 H HIS 5 H HIS 5 10.497 2.846 -8.098
185 HA HIS 5 HA HIS 5 8.094 3.901 -6.733
186 HB2 HIS 5 HB2 HIS 5 9.692 4.753 -9.184
187 HB3 HIS 5 HB3 HIS 5 8.146 5.472 -8.771
188 HD1 HIS 5 HD1 HIS 5 8.248 7.562 -7.255
189 HD2 HIS 5 HD2 HIS 5 11.690 5.141 -7.181
190 HE1 HIS 5 HE1 HIS 5 10.014 8.873 -5.990
191 H LEU 6 H LEU 6 6.025 3.740 -7.569
192 HA LEU 6 HA LEU 6 5.440 2.585 -10.227
193 HB2 LEU 6 HB2 LEU 6 4.457 1.446 -7.574
194 HB3 LEU 6 HB3 LEU 6 3.623 1.160 -9.088
195 HG LEU 6 HG LEU 6 6.502 0.311 -8.601
196 HD11 LEU 6 HD11 LEU 6 3.907 -1.232 -8.279
197 HD12 LEU 6 HD12 LEU 6 5.066 -0.816 -7.004
198 HD13 LEU 6 HD13 LEU 6 5.532 -1.958 -8.280
199 HD21 LEU 6 HD21 LEU 6 6.059 -1.182 -10.544
200 HD22 LEU 6 HD22 LEU 6 5.887 0.517 -11.002
201 HD23 LEU 6 HD23 LEU 6 4.440 -0.481 -10.720
202 H CYS 7 HN CYS 7 3.704 3.678 -11.142
203 HA CYS 7 HA CYS 7 1.812 5.119 -9.371
204 HB2 CYS 7 HB2 CYS 7 3.928 6.480 -9.878
205 HB3 CYS 7 HB3 CYS 7 3.337 6.607 -11.524
206 H GLY 8 H GLY 8 -0.172 5.540 -10.218
207 HA2 GLY 8 HA2 GLY 8 -1.999 5.441 -11.628
208 HA3 GLY 8 HA3 GLY 8 -0.862 5.706 -12.946
209 H SER 9 H SER 9 -1.352 4.307 -14.498
210 HA SER 9 HA SER 9 -2.615 1.777 -14.267
211 HB2 SER 9 HB2 SER 9 -1.760 1.485 -16.608
212 HB3 SER 9 HB3 SER 9 -2.655 2.984 -16.323
213 HG SER 9 HG SER 9 -0.716 3.351 -17.523
214 H HIS 10 H HIS 10 0.885 2.579 -14.247
215 HA HIS 10 HA HIS 10 1.871 -0.092 -14.383
216 HB2 HIS 10 HB2 HIS 10 3.154 2.204 -12.845
217 HB3 HIS 10 HB3 HIS 10 3.939 0.864 -13.652
218 HD1 HIS 10 HD1 HIS 10 2.638 4.342 -14.282
219 HD2 HIS 10 HD2 HIS 10 4.042 1.016 -16.444
220 HE1 HIS 10 HE1 HIS 10 3.147 5.183 -16.648
221 H LEU 11 H LEU 11 0.932 1.930 -11.583
222 HA LEU 11 HA LEU 11 1.628 -0.057 -9.579
223 HB2 LEU 11 HB2 LEU 11 1.575 2.345 -9.105
224 HB3 LEU 11 HB3 LEU 11 -0.132 2.435 -9.519
225 HG LEU 11 HG LEU 11 -0.740 1.091 -7.583
226 HD11 LEU 11 HD11 LEU 11 2.232 1.011 -6.925
227 HD12 LEU 11 HD12 LEU 11 1.220 -0.393 -7.329
228 HD13 LEU 11 HD13 LEU 11 0.922 0.510 -5.842
229 HD21 LEU 11 HD21 LEU 11 -0.459 3.551 -7.428
230 HD22 LEU 11 HD22 LEU 11 1.207 3.320 -6.876
231 HD23 LEU 11 HD23 LEU 11 -0.147 2.743 -5.878
232 H VAL 12 H VAL 12 -1.444 0.882 -11.164
233 HA VAL 12 HA VAL 12 -3.095 -1.017 -9.805
234 HB VAL 12 HB VAL 12 -3.328 0.234 -12.560
235 HG11 VAL 12 HG11 VAL 12 -4.613 -1.826 -12.715
236 HG12 VAL 12 HG12 VAL 12 -5.389 -1.509 -11.141
237 HG13 VAL 12 HG13 VAL 12 -5.726 -0.471 -12.544
238 HG21 VAL 12 HG21 VAL 12 -4.829 0.708 -9.938
239 HG22 VAL 12 HG22 VAL 12 -3.554 1.749 -10.584
240 HG23 VAL 12 HG23 VAL 12 -5.081 1.591 -11.458
241 H GLU 13 H GLU 13 -1.195 -1.400 -12.868
242 HA GLU 13 HA GLU 13 -1.869 -4.135 -13.298
243 HB2 GLU 13 HB2 GLU 13 -0.909 -2.622 -14.983
244 HB3 GLU 13 HB3 GLU 13 0.626 -2.589 -14.100
245 HG2 GLU 13 HG2 GLU 13 0.933 -4.996 -14.502
246 HG3 GLU 13 HG3 GLU 13 -0.663 -5.103 -15.250
247 H ALA 14 H ALA 14 0.915 -2.666 -11.491
248 HA ALA 14 HA ALA 14 2.125 -5.123 -10.718
249 HB1 ALA 14 HB1 ALA 14 3.207 -2.908 -10.518
250 HB2 ALA 14 HB2 ALA 14 2.048 -2.441 -9.259
251 HB3 ALA 14 HB3 ALA 14 3.196 -3.762 -8.962
252 H LEU 15 H LEU 15 -0.484 -3.232 -9.067
253 HA LEU 15 HA LEU 15 -0.770 -4.998 -6.830
254 HB2 LEU 15 HB2 LEU 15 -2.634 -3.057 -8.239
255 HB3 LEU 15 HB3 LEU 15 -3.162 -3.990 -6.849
256 HG LEU 15 HG LEU 15 -0.675 -2.259 -6.686
257 HD11 LEU 15 HD11 LEU 15 -2.541 -0.802 -7.395
258 HD12 LEU 15 HD12 LEU 15 -2.054 -0.477 -5.720
259 HD13 LEU 15 HD13 LEU 15 -3.530 -1.407 -6.053
260 HD21 LEU 15 HD21 LEU 15 -1.061 -3.957 -4.883
261 HD22 LEU 15 HD22 LEU 15 -2.651 -3.238 -4.572
262 HD23 LEU 15 HD23 LEU 15 -1.175 -2.298 -4.275
263 H TYR 16 H TYR 16 -2.379 -5.098 -10.062
264 HA TYR 16 HA TYR 16 -3.916 -7.456 -9.512
265 HB2 TYR 16 HB2 TYR 16 -2.904 -6.163 -12.056
266 HB3 TYR 16 HB3 TYR 16 -3.639 -7.752 -12.105
267 HD1 TYR 16 HD1 TYR 16 -5.945 -7.969 -10.724
268 HD2 TYR 16 HD2 TYR 16 -4.382 -4.381 -12.533
269 HE1 TYR 16 HE1 TYR 16 -8.238 -7.019 -10.802
270 HE2 TYR 16 HE2 TYR 16 -6.673 -3.416 -12.599
271 HH TYR 16 HH TYR 16 -9.548 -5.207 -11.383
272 H LEU 17 H LEU 17 -0.604 -7.143 -10.883
273 HA LEU 17 HA LEU 17 -0.209 -9.983 -11.203
274 HB2 LEU 17 HB2 LEU 17 1.706 -7.614 -10.991
275 HB3 LEU 17 HB3 LEU 17 2.251 -9.254 -11.331
276 HG LEU 17 HG LEU 17 0.261 -7.764 -13.096
277 HD11 LEU 17 HD11 LEU 17 3.273 -8.115 -13.431
278 HD12 LEU 17 HD12 LEU 17 2.442 -6.591 -13.046
279 HD13 LEU 17 HD13 LEU 17 2.168 -7.367 -14.609
280 HD21 LEU 17 HD21 LEU 17 0.124 -10.200 -13.363
281 HD22 LEU 17 HD22 LEU 17 1.891 -10.298 -13.560
282 HD23 LEU 17 HD23 LEU 17 0.891 -9.478 -14.781
283 H VAL 18 H VAL 18 0.747 -7.786 -8.563
284 HA VAL 18 HA VAL 18 2.169 -9.840 -7.114
285 HB VAL 18 HB VAL 18 1.303 -7.035 -6.368
286 HG11 VAL 18 HG11 VAL 18 2.939 -7.163 -4.496
287 HG12 VAL 18 HG12 VAL 18 1.536 -8.194 -4.254
288 HG13 VAL 18 HG13 VAL 18 3.087 -8.915 -4.765
289 HG21 VAL 18 HG21 VAL 18 4.061 -8.202 -7.002
290 HG22 VAL 18 HG22 VAL 18 3.068 -7.345 -8.186
291 HG23 VAL 18 HG23 VAL 18 3.649 -6.490 -6.763
292 H CYS 19 HN CYS 19 -1.132 -8.406 -6.692
293 HA CYS 19 HA CYS 19 -1.671 -10.071 -4.335
294 HB2 CYS 19 HB2 CYS 19 -2.651 -7.835 -4.645
295 HB3 CYS 19 HB3 CYS 19 -3.497 -8.406 -6.083
296 H GLY 20 H GLY 20 -2.536 -10.206 -7.816
297 HA2 GLY 20 HA2 GLY 20 -3.130 -12.006 -9.146
298 HA3 GLY 20 HA3 GLY 20 -2.766 -13.082 -7.787
299 H GLU 21 H GLU 21 -4.498 -14.380 -8.111
300 HA GLU 21 HA GLU 21 -7.166 -13.651 -8.634
301 HB2 GLU 21 HB2 GLU 21 -6.065 -15.869 -8.975
302 HB3 GLU 21 HB3 GLU 21 -6.113 -16.150 -7.234
303 HG2 GLU 21 HG2 GLU 21 -8.577 -16.157 -7.283
304 HG3 GLU 21 HG3 GLU 21 -8.575 -15.662 -8.976
305 H ARG 22 H ARG 22 -5.500 -13.569 -5.568
306 HA ARG 22 HA ARG 22 -7.607 -13.793 -3.699
307 HB2 ARG 22 HB2 ARG 22 -5.077 -12.109 -3.705
308 HB3 ARG 22 HB3 ARG 22 -6.115 -12.307 -2.291
309 HG2 ARG 22 HG2 ARG 22 -5.734 -14.719 -2.281
310 HG3 ARG 22 HG3 ARG 22 -4.720 -14.612 -3.725
311 HD2 ARG 22 HD2 ARG 22 -4.114 -13.188 -1.100
312 HD3 ARG 22 HD3 ARG 22 -3.471 -14.776 -1.539
313 HE ARG 22 HE ARG 22 -2.831 -13.084 -3.683
314 HH11 ARG 22 HH11 ARG 22 -2.010 -12.977 -0.204
315 HH12 ARG 22 HH12 ARG 22 -0.458 -12.232 -0.580
316 HH21 ARG 22 HH21 ARG 22 -0.740 -12.249 -3.953
317 HH22 ARG 22 HH22 ARG 22 0.182 -11.837 -2.508
318 H GLY 23 H GLY 23 -6.674 -11.008 -5.715
319 HA2 GLY 23 HA2 GLY 23 -7.882 -9.125 -6.311
320 HA3 GLY 23 HA3 GLY 23 -9.213 -9.609 -5.242
321 H PHE 24 H PHE 24 -7.709 -6.997 -5.707
322 HA PHE 24 HA PHE 24 -7.010 -6.389 -2.868
323 HB2 PHE 24 HB2 PHE 24 -5.362 -4.843 -3.618
324 HB3 PHE 24 HB3 PHE 24 -5.055 -6.357 -4.435
325 HD1 PHE 24 HD1 PHE 24 -5.439 -6.569 -6.894
326 HD2 PHE 24 HD2 PHE 24 -6.072 -2.852 -4.807
327 HE1 PHE 24 HE1 PHE 24 -5.450 -5.346 -9.054
328 HE2 PHE 24 HE2 PHE 24 -6.094 -1.638 -6.981
329 HZ PHE 24 HZ PHE 24 -5.779 -2.890 -9.105
330 H PHE 25 H PHE 25 -7.343 -4.188 -2.204
331 HA PHE 25 HA PHE 25 -9.262 -2.548 -3.730
332 HB2 PHE 25 HB2 PHE 25 -10.670 -4.056 -2.374
333 HB3 PHE 25 HB3 PHE 25 -9.811 -3.564 -0.923
334 HD1 PHE 25 HD2 PHE 25 -10.777 -1.007 -3.496
335 HD2 PHE 25 HD1 PHE 25 -11.932 -3.005 0.158
336 HE1 PHE 25 HE2 PHE 25 -12.510 0.701 -3.102
337 HE2 PHE 25 HE1 PHE 25 -13.670 -1.284 0.539
338 HZ PHE 25 HZ PHE 25 -13.969 0.575 -1.090
339 H TYR 26 H TYR 26 -7.499 -1.225 -4.023
340 HA TYR 26 HA TYR 26 -5.847 -0.280 -1.868
341 HB2 TYR 26 HB2 TYR 26 -4.563 0.716 -3.502
342 HB3 TYR 26 HB3 TYR 26 -5.078 -0.807 -4.165
343 HD1 TYR 26 HD1 TYR 26 -7.987 0.606 -4.990
344 HD2 TYR 26 HD2 TYR 26 -3.793 1.384 -5.688
345 HE1 TYR 26 HE1 TYR 26 -8.548 1.750 -7.099
346 HE2 TYR 26 HE2 TYR 26 -4.367 2.526 -7.810
347 HH TYR 26 HH TYR 26 -7.749 2.866 -8.954
348 H THR 27 H THR 27 -5.205 2.042 -1.673
349 HA THR 27 HA THR 27 -7.567 3.882 -1.489
350 HB THR 27 HB THR 27 -4.902 3.985 -0.034
351 HG1 THR 27 HG1 THR 27 -6.212 3.428 1.723
352 HG21 THR 27 HG21 THR 27 -6.095 5.681 1.366
353 HG22 THR 27 HG22 THR 27 -7.472 5.630 0.244
354 HG23 THR 27 HG23 THR 27 -5.896 6.235 -0.301
355 HA PRO 28 HA PRO 28 -5.081 5.786 -4.806
356 HB2 PRO 28 HB2 PRO 28 -7.014 6.492 -6.556
357 HB3 PRO 28 HB3 PRO 28 -6.557 4.777 -6.305
358 HG2 PRO 28 HG2 PRO 28 -8.882 6.288 -5.058
359 HG3 PRO 28 HG3 PRO 28 -8.901 4.682 -5.851
360 HD2 PRO 28 HD2 PRO 28 -8.702 5.008 -3.123
361 HD3 PRO 28 HD3 PRO 28 -7.967 3.639 -4.008
362 H LYS 29 H LYS 29 -4.449 7.800 -5.166
363 HA LYS 29 HA LYS 29 -4.207 10.007 -5.328
364 HB2 LYS 29 HB2 LYS 29 -6.392 9.727 -6.529
365 HB3 LYS 29 HB3 LYS 29 -7.230 10.200 -5.043
366 HG2 LYS 29 HG2 LYS 29 -6.119 12.414 -5.103
367 HG3 LYS 29 HG3 LYS 29 -5.164 11.901 -6.504
368 HD2 LYS 29 HD2 LYS 29 -6.981 13.316 -7.237
369 HD3 LYS 29 HD3 LYS 29 -7.242 11.674 -7.843
370 HE2 LYS 29 HE2 LYS 29 -8.868 11.256 -6.003
371 HE3 LYS 29 HE3 LYS 29 -8.576 12.880 -5.369
372 HZ1 LYS 29 HZ1 LYS 29 -9.723 12.281 -8.044
373 HZ2 LYS 29 HZ2 LYS 29 -9.451 13.784 -7.454
374 HZ3 LYS 29 HZ3 LYS 29 -10.565 12.819 -6.751
375 H THR 30 H THR 30 -6.417 9.328 -2.637
376 HA THR 30 HA THR 30 -5.088 10.752 -0.569
377 HB THR 30 HB THR 30 -5.661 12.745 -1.850
378 HG1 THR 30 HG1 THR 30 -6.599 13.813 -0.178
379 HG21 THR 30 HG21 THR 30 -8.598 11.970 -1.564
380 HG22 THR 30 HG22 THR 30 -7.673 11.986 -3.076
381 HG23 THR 30 HG23 THR 30 -7.958 13.494 -2.195
382 H LYS 31 H LYS 31 -7.879 11.409 0.496
383 HA LYS 31 HA LYS 31 -8.521 8.865 1.730
384 HB2 LYS 31 HB2 LYS 31 -10.111 11.462 1.561
385 HB3 LYS 31 HB3 LYS 31 -10.515 10.076 2.585
386 HG2 LYS 31 HG2 LYS 31 -8.358 10.320 3.792
387 HG3 LYS 31 HG3 LYS 31 -7.952 11.726 2.786
388 HD2 LYS 31 HD2 LYS 31 -9.955 12.918 3.624
389 HD3 LYS 31 HD3 LYS 31 -10.367 11.522 4.638
390 HE2 LYS 31 HE2 LYS 31 -8.184 11.748 5.824
391 HE3 LYS 31 HE3 LYS 31 -7.778 13.135 4.811
392 HZ1 LYS 31 HZ1 LYS 31 -9.702 14.298 5.763
393 HZ2 LYS 31 HZ2 LYS 31 -8.675 13.832 6.947
394 HZ3 LYS 31 HZ3 LYS 31 -10.064 13.012 6.705
395 H ARG 32 H ARG 32 -10.333 7.535 1.457
396 HA ARG 32 HA ARG 32 -11.174 7.058 -1.291
397 HB2 ARG 32 HB2 ARG 32 -12.111 5.761 1.301
398 HB3 ARG 32 HB3 ARG 32 -12.484 5.207 -0.336
399 HG2 ARG 32 HG2 ARG 32 -10.004 4.915 -0.747
400 HG3 ARG 32 HG3 ARG 32 -9.734 5.291 0.970
401 HD2 ARG 32 HD2 ARG 32 -11.226 3.380 1.584
402 HD3 ARG 32 HD3 ARG 32 -11.371 2.984 -0.142
403 HE ARG 32 HE ARG 32 -8.616 3.158 0.903
404 HH11 ARG 32 HH21 ARG 32 -11.214 0.904 0.137
405 HH12 ARG 32 HH22 ARG 32 -10.102 -0.433 0.098
406 HH21 ARG 32 HH11 ARG 32 -7.353 1.440 0.843
407 HH22 ARG 32 HH12 ARG 32 -8.000 -0.150 0.414
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 -3.289 6.300 3.493
2 H2 GLY 1 2H GLY 1 -2.369 7.067 2.382
3 H3 GLY 1 3H GLY 1 -1.748 5.792 3.225
4 HA2 GLY 1 HA2 GLY 1 -3.415 4.316 2.209
5 HA3 GLY 1 HA3 GLY 1 -3.893 5.703 1.203
6 H ILE 2 H ILE 2 -2.944 3.202 0.163
7 HA ILE 2 HA ILE 2 -0.190 3.021 -0.190
8 HB ILE 2 HB ILE 2 -1.844 1.224 -0.559
9 HG12 ILE 2 HG12 ILE 2 -0.754 0.076 -2.442
10 HG13 ILE 2 HG13 ILE 2 0.071 1.565 -2.882
11 HG21 ILE 2 HG21 ILE 2 -2.378 2.434 -3.298
12 HG22 ILE 2 HG22 ILE 2 -3.012 0.911 -2.644
13 HG23 ILE 2 HG23 ILE 2 -3.498 2.452 -1.924
14 HD11 ILE 2 HD11 ILE 2 1.348 1.532 -0.779
15 HD12 ILE 2 HD12 ILE 2 0.384 0.156 -0.191
16 HD13 ILE 2 HD13 ILE 2 1.477 -0.051 -1.570
17 H VAL 3 H VAL 3 -2.386 4.826 -2.348
18 HA VAL 3 HA VAL 3 -0.434 5.426 -4.354
19 HB VAL 3 HB VAL 3 -2.915 6.889 -3.412
20 HG11 VAL 3 HG11 VAL 3 -1.521 8.634 -4.467
21 HG12 VAL 3 HG12 VAL 3 -1.338 7.608 -5.910
22 HG13 VAL 3 HG13 VAL 3 -2.926 8.234 -5.447
23 HG21 VAL 3 HG21 VAL 3 -3.234 4.685 -4.555
24 HG22 VAL 3 HG22 VAL 3 -3.837 6.005 -5.563
25 HG23 VAL 3 HG23 VAL 3 -2.275 5.283 -5.931
26 H GLU 4 H GLU 4 -1.056 6.906 -1.182
27 HA GLU 4 HA GLU 4 0.621 9.250 -1.635
28 HB2 GLU 4 HB2 GLU 4 -0.462 8.105 0.965
29 HB3 GLU 4 HB3 GLU 4 0.171 9.725 0.727
30 HG2 GLU 4 HG2 GLU 4 -1.680 10.328 -0.719
31 HG3 GLU 4 HG3 GLU 4 -2.342 8.686 -0.651
32 H GLN 5 H GLN 5 1.346 6.010 -1.021
33 HA GLN 5 HA GLN 5 3.969 6.644 0.268
34 HB2 GLN 5 HB2 GLN 5 2.694 5.012 1.508
35 HB3 GLN 5 HB3 GLN 5 2.298 4.111 0.045
36 HG2 GLN 5 HG2 GLN 5 3.969 2.914 1.344
37 HG3 GLN 5 HG3 GLN 5 4.592 3.394 -0.221
38 HE21 GLN 5 HE21 GLN 5 6.658 2.804 0.910
39 HE22 GLN 5 HE22 GLN 5 7.467 4.111 1.781
40 H CYS 6 HN CYS 6 2.581 4.539 -2.382
41 HA CYS 6 HA CYS 6 5.223 4.052 -3.388
42 HB2 CYS 6 HB2 CYS 6 2.533 3.561 -4.698
43 HB3 CYS 6 HB3 CYS 6 4.077 2.890 -5.196
44 H CYS 7 HN CYS 7 2.955 6.610 -4.306
45 HA CYS 7 HA CYS 7 4.245 7.087 -6.886
46 HB2 CYS 7 HB2 CYS 7 2.395 8.822 -5.226
47 HB3 CYS 7 HB3 CYS 7 2.895 9.176 -6.876
48 H THR 8 H THR 8 4.931 8.093 -3.628
49 HA THR 8 HA THR 8 6.722 10.325 -4.501
50 HB THR 8 HB THR 8 6.410 11.041 -2.078
51 HG1 THR 8 HG1 THR 8 4.564 10.115 -1.061
52 HG21 THR 8 HG21 THR 8 5.159 12.097 -3.963
53 HG22 THR 8 HG22 THR 8 4.219 12.048 -2.457
54 HG23 THR 8 HG23 THR 8 3.863 10.894 -3.759
55 H SER 9 H SER 9 6.499 7.662 -2.105
56 HA SER 9 HA SER 9 9.472 7.603 -1.846
57 HB2 SER 9 HB2 SER 9 7.259 6.222 -0.281
58 HB3 SER 9 HB3 SER 9 8.994 6.001 -0.007
59 HG SER 9 HG SER 9 8.038 7.589 1.397
60 H ILE 10 H ILE 10 10.375 5.293 -1.692
61 HA ILE 10 HA ILE 10 9.620 3.758 -4.111
62 HB ILE 10 HB ILE 10 11.825 3.472 -2.026
63 HG12 ILE 10 HG12 ILE 10 11.796 4.250 -4.984
64 HG13 ILE 10 HG13 ILE 10 12.066 5.343 -3.627
65 HG21 ILE 10 HG21 ILE 10 11.370 1.760 -4.492
66 HG22 ILE 10 HG22 ILE 10 12.744 1.652 -3.373
67 HG23 ILE 10 HG23 ILE 10 11.142 1.208 -2.817
68 HD11 ILE 10 HD11 ILE 10 14.159 4.068 -3.060
69 HD12 ILE 10 HD12 ILE 10 13.938 3.146 -4.570
70 HD13 ILE 10 HD13 ILE 10 14.183 4.897 -4.634
71 H CYS 11 HN CYS 11 8.346 1.963 -4.121
72 HA CYS 11 HA CYS 11 7.379 0.909 -1.501
73 HB2 CYS 11 HB2 CYS 11 6.137 1.127 -4.199
74 HB3 CYS 11 HB3 CYS 11 5.774 -0.322 -3.270
75 H SER 12 H SER 12 7.104 -1.248 -1.234
76 HA SER 12 HA SER 12 9.042 -3.079 -2.607
77 HB2 SER 12 HB2 SER 12 9.406 -4.149 -0.461
78 HB3 SER 12 HB3 SER 12 9.741 -2.419 -0.302
79 HG SER 12 HG SER 12 8.478 -3.100 1.450
80 H LEU 13 H LEU 13 8.425 -5.376 -2.493
81 HA LEU 13 HA LEU 13 5.679 -5.829 -3.218
82 HB2 LEU 13 HB2 LEU 13 7.788 -7.829 -2.318
83 HB3 LEU 13 HB3 LEU 13 6.305 -8.198 -3.197
84 HG LEU 13 HG LEU 13 8.729 -6.676 -4.244
85 HD11 LEU 13 HD11 LEU 13 7.490 -9.347 -5.026
86 HD12 LEU 13 HD12 LEU 13 8.986 -9.112 -4.083
87 HD13 LEU 13 HD13 LEU 13 8.912 -8.597 -5.776
88 HD21 LEU 13 HD21 LEU 13 7.572 -6.653 -6.445
89 HD22 LEU 13 HD22 LEU 13 6.767 -5.627 -5.250
90 HD23 LEU 13 HD23 LEU 13 6.092 -7.225 -5.661
91 H TYR 14 H TYR 14 7.316 -5.918 -0.091
92 HA TYR 14 HA TYR 14 5.211 -7.215 1.385
93 HB2 TYR 14 HB2 TYR 14 7.494 -6.980 2.235
94 HB3 TYR 14 HB3 TYR 14 7.349 -5.225 2.226
95 HD1 TYR 14 HD1 TYR 14 5.897 -8.335 3.752
96 HD2 TYR 14 HD2 TYR 14 6.456 -4.072 4.110
97 HE1 TYR 14 HE1 TYR 14 4.950 -8.403 6.057
98 HE2 TYR 14 HE2 TYR 14 5.496 -4.138 6.405
99 HH TYR 14 HH TYR 14 4.615 -5.454 8.074
100 H GLN 15 H GLN 15 5.767 -3.808 0.488
101 HA GLN 15 HA GLN 15 3.431 -2.828 1.975
102 HB2 GLN 15 HB2 GLN 15 5.226 -1.555 -0.134
103 HB3 GLN 15 HB3 GLN 15 3.855 -0.733 0.610
104 HG2 GLN 15 HG2 GLN 15 4.797 -1.058 2.855
105 HG3 GLN 15 HG3 GLN 15 6.186 -1.907 2.195
106 HE21 GLN 15 HE21 GLN 15 6.718 0.210 3.822
107 HE22 GLN 15 HE22 GLN 15 7.277 1.569 2.864
108 H LEU 16 H LEU 16 3.954 -4.054 -1.324
109 HA LEU 16 HA LEU 16 1.233 -3.449 -2.187
110 HB2 LEU 16 HB2 LEU 16 3.266 -5.478 -3.210
111 HB3 LEU 16 HB3 LEU 16 1.753 -5.065 -4.002
112 HG LEU 16 HG LEU 16 4.125 -3.196 -3.560
113 HD11 LEU 16 HD11 LEU 16 4.547 -4.847 -5.268
114 HD12 LEU 16 HD12 LEU 16 4.300 -3.273 -6.008
115 HD13 LEU 16 HD13 LEU 16 2.996 -4.481 -6.064
116 HD21 LEU 16 HD21 LEU 16 2.039 -1.863 -3.484
117 HD22 LEU 16 HD22 LEU 16 1.487 -2.637 -4.994
118 HD23 LEU 16 HD23 LEU 16 2.909 -1.580 -4.989
119 H GLU 17 H GLU 17 2.762 -6.414 -0.853
120 HA GLU 17 HA GLU 17 0.494 -8.070 -0.665
121 HB2 GLU 17 HB2 GLU 17 3.020 -7.808 0.959
122 HB3 GLU 17 HB3 GLU 17 1.764 -8.882 1.515
123 HG2 GLU 17 HG2 GLU 17 3.011 -9.024 -1.259
124 HG3 GLU 17 HG3 GLU 17 3.562 -9.961 0.132
125 H ASN 18 H ASN 18 1.520 -5.475 1.595
126 HA ASN 18 HA ASN 18 -0.374 -5.929 3.625
127 HB2 ASN 18 HB2 ASN 18 1.618 -4.465 3.764
128 HB3 ASN 18 HB3 ASN 18 0.824 -3.309 2.690
129 HD21 ASN 18 HD21 ASN 18 0.362 -5.021 5.850
130 HD22 ASN 18 HD22 ASN 18 -0.497 -3.682 6.598
131 H TYR 19 H TYR 19 -0.912 -4.611 0.439
132 HA TYR 19 HA TYR 19 -3.682 -3.725 1.139
133 HB2 TYR 19 HB2 TYR 19 -1.688 -2.854 -0.935
134 HB3 TYR 19 HB3 TYR 19 -3.391 -2.745 -1.306
135 HD1 TYR 19 HD1 TYR 19 -0.831 -1.645 1.189
136 HD2 TYR 19 HD2 TYR 19 -4.820 -1.099 -0.351
137 HE1 TYR 19 HE1 TYR 19 -1.098 0.387 2.606
138 HE2 TYR 19 HE2 TYR 19 -5.089 0.932 1.044
139 HH TYR 19 HH TYR 19 -4.176 2.252 2.658
140 H CYS 20 HN CYS 20 -2.292 -6.566 0.107
141 HA CYS 20 HA CYS 20 -4.337 -7.308 -1.863
142 HB2 CYS 20 HB2 CYS 20 -2.504 -9.049 -0.182
143 HB3 CYS 20 HB3 CYS 20 -3.535 -9.593 -1.502
144 H ASN 21 H ASN 21 -6.032 -8.794 -1.522
145 HA ASN 21 HA ASN 21 -7.652 -8.336 0.804
146 HB2 ASN 21 HB2 ASN 21 -8.510 -8.815 -1.512
147 HB3 ASN 21 HB3 ASN 21 -7.891 -10.460 -1.363
148 HD21 ASN 21 HD22 ASN 21 -10.115 -8.148 0.255
149 HD22 ASN 21 HD21 ASN 21 -11.245 -9.391 0.769
150 H1 PHE 1 H1 PHE 1 9.929 -5.331 -10.620
151 H2 PHE 1 H2 PHE 1 8.729 -5.684 -9.557
152 H3 PHE 1 H3 PHE 1 8.807 -6.472 -10.985
153 HA PHE 1 HA PHE 1 9.528 -7.889 -9.231
154 HB2 PHE 1 HB2 PHE 1 11.551 -8.735 -10.126
155 HB3 PHE 1 HB3 PHE 1 10.451 -8.314 -11.408
156 HD1 PHE 1 HD1 PHE 1 10.881 -6.049 -12.711
157 HD2 PHE 1 HD2 PHE 1 13.800 -8.040 -10.213
158 HE1 PHE 1 HE1 PHE 1 12.691 -4.769 -13.792
159 HE2 PHE 1 HE2 PHE 1 15.604 -6.755 -11.321
160 HZ PHE 1 HZ PHE 1 15.059 -5.107 -13.110
161 H VAL 2 H VAL 2 12.415 -5.673 -9.432
162 HA VAL 2 HA VAL 2 12.782 -5.829 -6.553
163 HB VAL 2 HB VAL 2 14.460 -4.021 -6.836
164 HG11 VAL 2 HG11 VAL 2 15.090 -6.386 -6.976
165 HG12 VAL 2 HG12 VAL 2 14.791 -6.378 -8.722
166 HG13 VAL 2 HG13 VAL 2 16.092 -5.384 -8.041
167 HG21 VAL 2 HG21 VAL 2 15.165 -3.308 -9.072
168 HG22 VAL 2 HG22 VAL 2 13.829 -4.193 -9.817
169 HG23 VAL 2 HG23 VAL 2 13.504 -2.795 -8.759
170 H ASN 3 H ASN 3 12.840 -3.953 -5.122
171 HA ASN 3 HA ASN 3 10.429 -2.468 -4.943
172 HB2 ASN 3 HB2 ASN 3 11.631 -1.231 -3.154
173 HB3 ASN 3 HB3 ASN 3 11.757 -2.980 -3.003
174 HD21 ASN 3 HD21 ASN 3 13.566 -0.018 -3.235
175 HD22 ASN 3 HD22 ASN 3 15.145 -0.776 -3.328
176 H GLN 4 H GLN 4 9.819 -0.399 -5.532
177 HA GLN 4 HA GLN 4 11.514 1.486 -6.946
178 HB2 GLN 4 HB2 GLN 4 11.345 -0.440 -8.583
179 HB3 GLN 4 HB3 GLN 4 9.592 -0.258 -8.557
180 HG2 GLN 4 HG2 GLN 4 10.709 0.683 -10.565
181 HG3 GLN 4 HG3 GLN 4 9.723 1.847 -9.720
182 HE21 GLN 4 HE21 GLN 4 13.070 0.973 -10.579
183 HE22 GLN 4 HE22 GLN 4 13.758 2.486 -10.014
184 H HIS 5 H HIS 5 10.185 3.309 -7.880
185 HA HIS 5 HA HIS 5 7.843 3.996 -6.275
186 HB2 HIS 5 HB2 HIS 5 9.034 5.257 -8.780
187 HB3 HIS 5 HB3 HIS 5 7.758 5.955 -7.798
188 HD1 HIS 5 HD1 HIS 5 8.586 6.566 -5.144
189 HD2 HIS 5 HD2 HIS 5 11.481 5.914 -8.127
190 HE1 HIS 5 HE1 HIS 5 10.701 7.756 -4.362
191 H LEU 6 H LEU 6 5.715 3.842 -6.874
192 HA LEU 6 HA LEU 6 4.935 2.811 -9.564
193 HB2 LEU 6 HB2 LEU 6 4.258 1.527 -6.885
194 HB3 LEU 6 HB3 LEU 6 3.416 1.158 -8.381
195 HG LEU 6 HG LEU 6 6.414 0.706 -8.027
196 HD11 LEU 6 HD11 LEU 6 5.246 -0.605 -6.358
197 HD12 LEU 6 HD12 LEU 6 5.808 -1.674 -7.654
198 HD13 LEU 6 HD13 LEU 6 4.093 -1.198 -7.564
199 HD21 LEU 6 HD21 LEU 6 5.646 0.829 -10.387
200 HD22 LEU 6 HD22 LEU 6 4.397 -0.392 -10.044
201 HD23 LEU 6 HD23 LEU 6 6.118 -0.820 -9.952
202 H CYS 7 HN CYS 7 3.125 3.858 -10.300
203 HA CYS 7 HA CYS 7 1.279 5.073 -8.321
204 HB2 CYS 7 HB2 CYS 7 3.257 6.622 -9.018
205 HB3 CYS 7 HB3 CYS 7 2.434 6.748 -10.569
206 H GLY 8 H GLY 8 -0.774 5.534 -9.026
207 HA2 GLY 8 HA2 GLY 8 -2.725 5.294 -10.260
208 HA3 GLY 8 HA3 GLY 8 -1.717 5.784 -11.618
209 H SER 9 H SER 9 -1.950 4.500 -13.296
210 HA SER 9 HA SER 9 -3.117 1.914 -13.337
211 HB2 SER 9 HB2 SER 9 -2.129 1.853 -15.659
212 HB3 SER 9 HB3 SER 9 -3.126 3.269 -15.293
213 HG SER 9 HG SER 9 -1.151 3.832 -16.372
214 H HIS 10 H HIS 10 0.402 2.833 -13.243
215 HA HIS 10 HA HIS 10 1.286 0.092 -13.457
216 HB2 HIS 10 HB2 HIS 10 2.655 2.618 -12.449
217 HB3 HIS 10 HB3 HIS 10 3.454 1.074 -12.725
218 HD1 HIS 10 HD1 HIS 10 1.871 0.517 -15.620
219 HD2 HIS 10 HD2 HIS 10 4.057 3.899 -14.346
220 HE1 HIS 10 HE1 HIS 10 2.674 1.688 -17.721
221 H LEU 11 H LEU 11 0.416 2.098 -10.652
222 HA LEU 11 HA LEU 11 1.291 0.148 -8.680
223 HB2 LEU 11 HB2 LEU 11 0.954 2.542 -8.170
224 HB3 LEU 11 HB3 LEU 11 -0.765 2.399 -8.520
225 HG LEU 11 HG LEU 11 -1.060 0.909 -6.588
226 HD11 LEU 11 HD11 LEU 11 1.916 1.341 -6.080
227 HD12 LEU 11 HD12 LEU 11 1.135 -0.207 -6.489
228 HD13 LEU 11 HD13 LEU 11 0.774 0.571 -4.956
229 HD21 LEU 11 HD21 LEU 11 0.450 3.486 -5.955
230 HD22 LEU 11 HD22 LEU 11 -0.624 2.607 -4.846
231 HD23 LEU 11 HD23 LEU 11 -1.284 3.328 -6.322
232 H VAL 12 H VAL 12 -1.798 0.767 -10.347
233 HA VAL 12 HA VAL 12 -3.298 -1.360 -9.147
234 HB VAL 12 HB VAL 12 -3.553 0.107 -11.784
235 HG11 VAL 12 HG11 VAL 12 -5.806 -0.938 -12.067
236 HG12 VAL 12 HG12 VAL 12 -4.479 -2.072 -12.316
237 HG13 VAL 12 HG13 VAL 12 -5.395 -2.099 -10.792
238 HG21 VAL 12 HG21 VAL 12 -4.145 1.326 -9.708
239 HG22 VAL 12 HG22 VAL 12 -5.565 1.038 -10.719
240 HG23 VAL 12 HG23 VAL 12 -5.289 0.038 -9.277
241 H GLU 13 H GLU 13 -1.296 -1.352 -12.168
242 HA GLU 13 HA GLU 13 -1.571 -4.109 -12.803
243 HB2 GLU 13 HB2 GLU 13 0.694 -2.138 -13.250
244 HB3 GLU 13 HB3 GLU 13 0.749 -3.793 -13.854
245 HG2 GLU 13 HG2 GLU 13 -1.255 -3.451 -15.198
246 HG3 GLU 13 HG3 GLU 13 -1.429 -1.799 -14.609
247 H ALA 14 H ALA 14 0.924 -2.512 -10.695
248 HA ALA 14 HA ALA 14 2.300 -4.913 -10.044
249 HB1 ALA 14 HB1 ALA 14 3.295 -3.569 -8.266
250 HB2 ALA 14 HB2 ALA 14 3.154 -2.586 -9.733
251 HB3 ALA 14 HB3 ALA 14 1.996 -2.364 -8.396
252 H LEU 15 H LEU 15 -0.497 -3.348 -8.383
253 HA LEU 15 HA LEU 15 -0.660 -5.307 -6.270
254 HB2 LEU 15 HB2 LEU 15 -2.678 -3.385 -7.484
255 HB3 LEU 15 HB3 LEU 15 -3.052 -4.443 -6.130
256 HG LEU 15 HG LEU 15 -0.752 -2.448 -6.033
257 HD11 LEU 15 HD11 LEU 15 -2.235 -0.960 -4.778
258 HD12 LEU 15 HD12 LEU 15 -3.594 -2.087 -4.999
259 HD13 LEU 15 HD13 LEU 15 -2.889 -1.246 -6.395
260 HD21 LEU 15 HD21 LEU 15 -2.268 -3.953 -3.846
261 HD22 LEU 15 HD22 LEU 15 -0.999 -2.732 -3.576
262 HD23 LEU 15 HD23 LEU 15 -0.597 -4.262 -4.358
263 H TYR 16 H TYR 16 -2.195 -5.242 -9.540
264 HA TYR 16 HA TYR 16 -3.584 -7.743 -9.228
265 HB2 TYR 16 HB2 TYR 16 -2.553 -6.180 -11.604
266 HB3 TYR 16 HB3 TYR 16 -3.080 -7.834 -11.826
267 HD1 TYR 16 HD2 TYR 16 -5.437 -8.412 -10.631
268 HD2 TYR 16 HD1 TYR 16 -4.195 -4.565 -12.126
269 HE1 TYR 16 HE2 TYR 16 -7.821 -7.764 -10.930
270 HE2 TYR 16 HE1 TYR 16 -6.573 -3.904 -12.414
271 HH TYR 16 HH TYR 16 -8.777 -4.544 -12.204
272 H LEU 17 H LEU 17 -0.244 -7.068 -10.360
273 HA LEU 17 HA LEU 17 0.426 -9.813 -10.873
274 HB2 LEU 17 HB2 LEU 17 2.086 -7.314 -10.337
275 HB3 LEU 17 HB3 LEU 17 2.823 -8.862 -10.719
276 HG LEU 17 HG LEU 17 0.801 -7.535 -12.577
277 HD11 LEU 17 HD11 LEU 17 2.739 -6.036 -12.283
278 HD12 LEU 17 HD12 LEU 17 2.746 -6.768 -13.892
279 HD13 LEU 17 HD13 LEU 17 3.850 -7.383 -12.639
280 HD21 LEU 17 HD21 LEU 17 2.855 -9.748 -13.020
281 HD22 LEU 17 HD22 LEU 17 1.842 -9.008 -14.276
282 HD23 LEU 17 HD23 LEU 17 1.086 -9.948 -12.980
283 H VAL 18 H VAL 18 0.987 -7.827 -7.932
284 HA VAL 18 HA VAL 18 2.302 -10.005 -6.550
285 HB VAL 18 HB VAL 18 1.162 -7.364 -5.572
286 HG11 VAL 18 HG11 VAL 18 1.034 -8.872 -3.634
287 HG12 VAL 18 HG12 VAL 18 2.696 -9.435 -3.935
288 HG13 VAL 18 HG13 VAL 18 2.388 -7.759 -3.438
289 HG21 VAL 18 HG21 VAL 18 3.215 -7.230 -6.953
290 HG22 VAL 18 HG22 VAL 18 3.601 -6.878 -5.265
291 HG23 VAL 18 HG23 VAL 18 3.994 -8.462 -5.953
292 H CYS 19 HN CYS 19 -1.078 -8.686 -6.304
293 HA CYS 19 HA CYS 19 -1.731 -10.570 -4.205
294 HB2 CYS 19 HB2 CYS 19 -3.569 -8.785 -5.817
295 HB3 CYS 19 HB3 CYS 19 -3.928 -9.587 -4.287
296 H GLY 20 H GLY 20 -2.262 -10.581 -7.721
297 HA2 GLY 20 HA2 GLY 20 -2.956 -12.270 -9.138
298 HA3 GLY 20 HA3 GLY 20 -2.674 -13.402 -7.803
299 H GLU 21 H GLU 21 -4.428 -14.649 -7.825
300 HA GLU 21 HA GLU 21 -7.062 -13.912 -8.542
301 HB2 GLU 21 HB2 GLU 21 -6.028 -16.192 -8.546
302 HB3 GLU 21 HB3 GLU 21 -6.171 -16.228 -6.784
303 HG2 GLU 21 HG2 GLU 21 -8.628 -16.116 -6.964
304 HG3 GLU 21 HG3 GLU 21 -8.509 -15.918 -8.718
305 H ARG 22 H ARG 22 -5.449 -13.530 -5.440
306 HA ARG 22 HA ARG 22 -7.678 -13.440 -3.671
307 HB2 ARG 22 HB2 ARG 22 -5.059 -11.874 -3.611
308 HB3 ARG 22 HB3 ARG 22 -6.194 -11.978 -2.277
309 HG2 ARG 22 HG2 ARG 22 -5.886 -14.384 -2.090
310 HG3 ARG 22 HG3 ARG 22 -4.785 -14.405 -3.473
311 HD2 ARG 22 HD2 ARG 22 -4.278 -12.759 -0.959
312 HD3 ARG 22 HD3 ARG 22 -3.707 -14.420 -1.163
313 HE ARG 22 HE ARG 22 -2.801 -13.139 -3.439
314 HH11 ARG 22 HH21 ARG 22 -2.313 -12.407 0.017
315 HH12 ARG 22 HH22 ARG 22 -0.694 -11.804 -0.284
316 HH21 ARG 22 HH11 ARG 22 -0.613 -12.541 -3.632
317 HH22 ARG 22 HH12 ARG 22 0.234 -11.917 -2.243
318 H GLY 23 H GLY 23 -6.364 -10.947 -5.852
319 HA2 GLY 23 HA2 GLY 23 -7.189 -8.855 -6.467
320 HA3 GLY 23 HA3 GLY 23 -8.626 -9.110 -5.452
321 H PHE 24 H PHE 24 -7.799 -6.674 -5.299
322 HA PHE 24 HA PHE 24 -6.231 -6.380 -2.791
323 HB2 PHE 24 HB2 PHE 24 -4.871 -4.649 -3.852
324 HB3 PHE 24 HB3 PHE 24 -4.737 -6.180 -4.709
325 HD1 PHE 24 HD2 PHE 24 -6.135 -2.743 -4.918
326 HD2 PHE 24 HD1 PHE 24 -5.424 -6.451 -6.991
327 HE1 PHE 24 HE2 PHE 24 -6.707 -1.646 -7.069
328 HE2 PHE 24 HE1 PHE 24 -6.019 -5.358 -9.136
329 HZ PHE 24 HZ PHE 24 -6.690 -2.967 -9.180
330 H PHE 25 H PHE 25 -6.340 -4.414 -1.769
331 HA PHE 25 HA PHE 25 -8.802 -2.773 -2.141
332 HB2 PHE 25 HB2 PHE 25 -8.449 -3.814 0.087
333 HB3 PHE 25 HB3 PHE 25 -6.861 -3.066 0.194
334 HD1 PHE 25 HD1 PHE 25 -10.467 -2.090 -0.420
335 HD2 PHE 25 HD2 PHE 25 -6.710 -1.077 1.447
336 HE1 PHE 25 HE1 PHE 25 -11.500 -0.066 0.570
337 HE2 PHE 25 HE2 PHE 25 -7.746 0.949 2.431
338 HZ PHE 25 HZ PHE 25 -10.144 1.458 1.992
339 H TYR 26 H TYR 26 -8.453 -0.399 -1.974
340 HA TYR 26 HA TYR 26 -5.766 0.575 -2.773
341 HB2 TYR 26 HB2 TYR 26 -7.073 -0.302 -4.796
342 HB3 TYR 26 HB3 TYR 26 -8.213 0.997 -4.531
343 HD1 TYR 26 HD1 TYR 26 -7.431 3.413 -4.795
344 HD2 TYR 26 HD2 TYR 26 -4.968 0.035 -5.842
345 HE1 TYR 26 HE1 TYR 26 -6.035 4.870 -6.252
346 HE2 TYR 26 HE2 TYR 26 -3.601 1.478 -7.334
347 HH TYR 26 HH TYR 26 -3.363 3.569 -8.264
348 H THR 27 H THR 27 -5.419 2.728 -2.380
349 HA THR 27 HA THR 27 -7.653 4.450 -1.421
350 HB THR 27 HB THR 27 -5.062 4.163 0.106
351 HG1 THR 27 HG1 THR 27 -7.652 3.135 0.654
352 HG21 THR 27 HG21 THR 27 -6.140 6.363 0.391
353 HG22 THR 27 HG22 THR 27 -6.361 5.394 1.859
354 HG23 THR 27 HG23 THR 27 -7.701 5.581 0.715
355 HA PRO 28 HA PRO 28 -5.019 7.033 -4.097
356 HB2 PRO 28 HB2 PRO 28 -6.839 8.846 -4.904
357 HB3 PRO 28 HB3 PRO 28 -6.942 7.139 -5.425
358 HG2 PRO 28 HG2 PRO 28 -8.429 8.463 -3.130
359 HG3 PRO 28 HG3 PRO 28 -9.106 7.456 -4.449
360 HD2 PRO 28 HD2 PRO 28 -8.447 6.448 -1.984
361 HD3 PRO 28 HD3 PRO 28 -8.313 5.485 -3.488
362 H LYS 29 H LYS 29 -4.280 9.297 -4.101
363 HA LYS 29 HA LYS 29 -4.010 10.534 -1.487
364 HB2 LYS 29 HB2 LYS 29 -2.301 10.600 -3.283
365 HB3 LYS 29 HB3 LYS 29 -3.400 11.533 -4.307
366 HG2 LYS 29 HG2 LYS 29 -3.329 13.417 -2.733
367 HG3 LYS 29 HG3 LYS 29 -2.401 12.459 -1.577
368 HD2 LYS 29 HD2 LYS 29 -0.918 13.985 -2.705
369 HD3 LYS 29 HD3 LYS 29 -0.516 12.332 -3.199
370 HE2 LYS 29 HE2 LYS 29 -1.764 12.650 -5.320
371 HE3 LYS 29 HE3 LYS 29 -2.262 14.271 -4.801
372 HZ1 LYS 29 HZ1 LYS 29 0.071 14.934 -4.813
373 HZ2 LYS 29 HZ2 LYS 29 -0.344 14.365 -6.284
374 HZ3 LYS 29 HZ3 LYS 29 0.549 13.436 -5.278
375 H THR 30 H THR 30 -6.175 10.998 -4.201
376 HA THR 30 HA THR 30 -7.768 13.071 -2.739
377 HB THR 30 HB THR 30 -8.304 13.959 -5.064
378 HG1 THR 30 HG1 THR 30 -6.698 13.493 -6.637
379 HG21 THR 30 HG21 THR 30 -6.757 15.111 -3.489
380 HG22 THR 30 HG22 THR 30 -6.293 15.342 -5.182
381 HG23 THR 30 HG23 THR 30 -5.394 14.190 -4.168
382 H LYS 31 H LYS 31 -8.262 11.331 -5.778
383 HA LYS 31 HA LYS 31 -10.334 9.553 -4.760
384 HB2 LYS 31 HB2 LYS 31 -11.283 12.029 -5.069
385 HB3 LYS 31 HB3 LYS 31 -11.291 11.600 -6.774
386 HG2 LYS 31 HG2 LYS 31 -12.758 9.602 -6.169
387 HG3 LYS 31 HG3 LYS 31 -12.697 10.131 -4.493
388 HD2 LYS 31 HD2 LYS 31 -14.786 10.880 -5.410
389 HD3 LYS 31 HD3 LYS 31 -13.767 12.291 -5.163
390 HE2 LYS 31 HE2 LYS 31 -14.855 12.589 -7.258
391 HE3 LYS 31 HE3 LYS 31 -13.162 12.244 -7.618
392 HZ1 LYS 31 HZ1 LYS 31 -15.374 10.257 -7.758
393 HZ2 LYS 31 HZ2 LYS 31 -13.816 9.949 -8.168
394 HZ3 LYS 31 HZ3 LYS 31 -14.699 11.004 -9.041
395 H ARG 32 H ARG 32 -11.406 8.378 -6.657
396 HA ARG 32 HA ARG 32 -9.701 8.124 -9.118
397 HB2 ARG 32 HB2 ARG 32 -11.342 5.989 -7.687
398 HB3 ARG 32 HB3 ARG 32 -10.614 5.794 -9.274
399 HG2 ARG 32 HG2 ARG 32 -9.090 6.145 -6.658
400 HG3 ARG 32 HG3 ARG 32 -9.337 4.652 -7.551
401 HD2 ARG 32 HD2 ARG 32 -7.181 5.223 -8.157
402 HD3 ARG 32 HD3 ARG 32 -8.120 5.790 -9.528
403 HE ARG 32 HE ARG 32 -8.059 8.050 -8.104
404 HH11 ARG 32 HH11 ARG 32 -5.282 5.948 -8.609
405 HH12 ARG 32 HH12 ARG 32 -4.188 7.298 -8.509
406 HH21 ARG 32 HH21 ARG 32 -6.671 9.622 -7.961
407 HH22 ARG 32 HH22 ARG 32 -4.952 9.354 -8.172
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 -1.792 7.981 1.475
2 H2 GLY 1 2H GLY 1 -1.793 6.695 2.493
3 H3 GLY 1 3H GLY 1 -3.139 7.628 2.338
4 HA2 GLY 1 HA2 GLY 1 -3.445 5.551 1.158
5 HA3 GLY 1 HA3 GLY 1 -3.436 6.935 0.050
6 H ILE 2 H ILE 2 -2.818 4.162 -0.580
7 HA ILE 2 HA ILE 2 -0.074 3.515 -0.516
8 HB ILE 2 HB ILE 2 -1.939 1.946 -0.990
9 HG12 ILE 2 HG12 ILE 2 0.404 1.919 -2.929
10 HG13 ILE 2 HG13 ILE 2 0.339 1.239 -1.310
11 HG21 ILE 2 HG21 ILE 2 -1.887 2.930 -3.870
12 HG22 ILE 2 HG22 ILE 2 -2.942 1.704 -3.144
13 HG23 ILE 2 HG23 ILE 2 -3.112 3.406 -2.699
14 HD11 ILE 2 HD11 ILE 2 0.100 -0.588 -2.798
15 HD12 ILE 2 HD12 ILE 2 -1.556 -0.280 -2.219
16 HD13 ILE 2 HD13 ILE 2 -1.051 0.287 -3.822
17 H VAL 3 H VAL 3 -1.697 5.514 -2.952
18 HA VAL 3 HA VAL 3 0.440 5.486 -4.860
19 HB VAL 3 HB VAL 3 -1.706 7.563 -4.311
20 HG11 VAL 3 HG11 VAL 3 -1.205 8.520 -6.561
21 HG12 VAL 3 HG12 VAL 3 0.102 8.818 -5.418
22 HG13 VAL 3 HG13 VAL 3 0.268 7.534 -6.643
23 HG21 VAL 3 HG21 VAL 3 -2.457 5.358 -5.213
24 HG22 VAL 3 HG22 VAL 3 -2.673 6.655 -6.402
25 HG23 VAL 3 HG23 VAL 3 -1.313 5.534 -6.558
26 H GLU 4 H GLU 4 0.102 7.327 -1.796
27 HA GLU 4 HA GLU 4 2.294 9.171 -2.347
28 HB2 GLU 4 HB2 GLU 4 1.126 8.226 0.301
29 HB3 GLU 4 HB3 GLU 4 2.229 9.582 0.083
30 HG2 GLU 4 HG2 GLU 4 0.581 10.789 -1.262
31 HG3 GLU 4 HG3 GLU 4 -0.549 9.439 -1.187
32 H GLN 5 H GLN 5 1.987 5.914 -0.949
33 HA GLN 5 HA GLN 5 4.769 5.806 -0.046
34 HB2 GLN 5 HB2 GLN 5 2.971 4.643 1.185
35 HB3 GLN 5 HB3 GLN 5 2.555 3.713 -0.251
36 HG2 GLN 5 HG2 GLN 5 3.787 2.338 1.313
37 HG3 GLN 5 HG3 GLN 5 4.704 2.525 -0.168
38 HE21 GLN 5 HE21 GLN 5 6.701 3.885 -0.085
39 HE22 GLN 5 HE22 GLN 5 7.429 4.207 1.485
40 H CYS 6 HN CYS 6 2.944 4.577 -2.863
41 HA CYS 6 HA CYS 6 5.374 3.241 -3.911
42 HB2 CYS 6 HB2 CYS 6 2.449 3.300 -4.702
43 HB3 CYS 6 HB3 CYS 6 3.689 2.544 -5.697
44 H CYS 7 HN CYS 7 3.603 6.214 -4.666
45 HA CYS 7 HA CYS 7 5.090 6.381 -7.271
46 HB2 CYS 7 HB2 CYS 7 2.608 6.592 -7.259
47 HB3 CYS 7 HB3 CYS 7 2.766 8.103 -6.368
48 H THR 8 H THR 8 4.208 8.633 -4.581
49 HA THR 8 HA THR 8 6.280 10.533 -5.196
50 HB THR 8 HB THR 8 4.912 10.128 -2.503
51 HG1 THR 8 HG1 THR 8 4.043 11.653 -4.746
52 HG21 THR 8 HG21 THR 8 5.208 12.577 -2.323
53 HG22 THR 8 HG22 THR 8 6.077 12.599 -3.872
54 HG23 THR 8 HG23 THR 8 6.761 11.740 -2.473
55 H SER 9 H SER 9 6.041 8.151 -2.516
56 HA SER 9 HA SER 9 9.013 8.005 -2.341
57 HB2 SER 9 HB2 SER 9 6.790 6.721 -0.708
58 HB3 SER 9 HB3 SER 9 8.518 6.446 -0.449
59 HG SER 9 HG SER 9 7.681 8.108 0.929
60 H ILE 10 H ILE 10 9.780 5.578 -2.014
61 HA ILE 10 HA ILE 10 8.851 3.985 -4.358
62 HB ILE 10 HB ILE 10 11.307 4.609 -4.007
63 HG12 ILE 10 HG12 ILE 10 10.571 1.678 -4.265
64 HG13 ILE 10 HG13 ILE 10 10.534 2.898 -5.539
65 HG21 ILE 10 HG21 ILE 10 11.305 2.440 -1.874
66 HG22 ILE 10 HG22 ILE 10 12.670 3.422 -2.439
67 HG23 ILE 10 HG23 ILE 10 11.366 4.179 -1.531
68 HD11 ILE 10 HD11 ILE 10 12.999 3.209 -5.289
69 HD12 ILE 10 HD12 ILE 10 13.015 1.843 -4.140
70 HD13 ILE 10 HD13 ILE 10 12.523 1.581 -5.819
71 H CYS 11 HN CYS 11 8.117 1.795 -4.093
72 HA CYS 11 HA CYS 11 7.745 0.905 -1.266
73 HB2 CYS 11 HB2 CYS 11 5.514 0.294 -1.571
74 HB3 CYS 11 HB3 CYS 11 5.672 1.942 -2.150
75 H SER 12 H SER 12 7.447 -1.257 -0.877
76 HA SER 12 HA SER 12 8.963 -3.062 -2.695
77 HB2 SER 12 HB2 SER 12 9.688 -2.879 -0.371
78 HB3 SER 12 HB3 SER 12 8.067 -3.331 0.196
79 HG SER 12 HG SER 12 9.611 -5.101 0.137
80 H LEU 13 H LEU 13 8.250 -5.176 -3.218
81 HA LEU 13 HA LEU 13 5.471 -5.513 -3.912
82 HB2 LEU 13 HB2 LEU 13 7.910 -7.316 -3.802
83 HB3 LEU 13 HB3 LEU 13 6.314 -7.997 -4.062
84 HG LEU 13 HG LEU 13 5.967 -6.687 -6.067
85 HD11 LEU 13 HD11 LEU 13 8.729 -5.522 -5.598
86 HD12 LEU 13 HD12 LEU 13 7.189 -4.641 -5.706
87 HD13 LEU 13 HD13 LEU 13 7.846 -5.437 -7.140
88 HD21 LEU 13 HD21 LEU 13 7.041 -8.893 -6.214
89 HD22 LEU 13 HD22 LEU 13 8.648 -8.133 -6.072
90 HD23 LEU 13 HD23 LEU 13 7.622 -7.812 -7.490
91 H TYR 14 H TYR 14 7.280 -6.269 -0.980
92 HA TYR 14 HA TYR 14 5.290 -7.880 0.319
93 HB2 TYR 14 HB2 TYR 14 7.595 -7.658 1.134
94 HB3 TYR 14 HB3 TYR 14 7.365 -5.931 1.405
95 HD1 TYR 14 HD2 TYR 14 6.081 -9.296 2.475
96 HD2 TYR 14 HD1 TYR 14 6.570 -5.132 3.479
97 HE1 TYR 14 HE2 TYR 14 5.244 -9.752 4.777
98 HE2 TYR 14 HE1 TYR 14 5.730 -5.584 5.774
99 HH TYR 14 HH TYR 14 4.942 -7.169 7.247
100 H GLN 15 H GLN 15 5.536 -4.375 -0.132
101 HA GLN 15 HA GLN 15 3.329 -3.755 1.730
102 HB2 GLN 15 HB2 GLN 15 4.805 -2.017 -0.295
103 HB3 GLN 15 HB3 GLN 15 3.582 -1.455 0.845
104 HG2 GLN 15 HG2 GLN 15 4.969 -2.087 2.750
105 HG3 GLN 15 HG3 GLN 15 6.195 -2.788 1.695
106 HE21 GLN 15 HE21 GLN 15 5.345 0.077 3.345
107 HE22 GLN 15 HE22 GLN 15 6.435 1.139 2.468
108 H LEU 16 H LEU 16 3.794 -4.100 -1.821
109 HA LEU 16 HA LEU 16 1.109 -3.487 -2.588
110 HB2 LEU 16 HB2 LEU 16 3.130 -5.426 -3.797
111 HB3 LEU 16 HB3 LEU 16 1.646 -4.926 -4.582
112 HG LEU 16 HG LEU 16 3.960 -3.083 -3.852
113 HD11 LEU 16 HD11 LEU 16 4.353 -2.982 -6.271
114 HD12 LEU 16 HD12 LEU 16 3.013 -4.115 -6.555
115 HD13 LEU 16 HD13 LEU 16 4.475 -4.646 -5.695
116 HD21 LEU 16 HD21 LEU 16 1.401 -2.507 -5.414
117 HD22 LEU 16 HD22 LEU 16 2.787 -1.410 -5.270
118 HD23 LEU 16 HD23 LEU 16 1.851 -1.818 -3.832
119 H GLU 17 H GLU 17 2.526 -6.645 -1.577
120 HA GLU 17 HA GLU 17 0.003 -8.030 -1.684
121 HB2 GLU 17 HB2 GLU 17 2.561 -8.633 -0.141
122 HB3 GLU 17 HB3 GLU 17 1.118 -9.649 -0.095
123 HG2 GLU 17 HG2 GLU 17 1.235 -9.737 -2.663
124 HG3 GLU 17 HG3 GLU 17 2.852 -9.044 -2.508
125 H ASN 18 H ASN 18 1.466 -6.034 0.934
126 HA ASN 18 HA ASN 18 -0.470 -6.863 2.926
127 HB2 ASN 18 HB2 ASN 18 1.686 -4.794 2.742
128 HB3 ASN 18 HB3 ASN 18 0.396 -4.493 3.886
129 HD21 ASN 18 HD21 ASN 18 2.894 -6.912 2.993
130 HD22 ASN 18 HD22 ASN 18 2.965 -7.621 4.602
131 H TYR 19 H TYR 19 -0.547 -4.350 0.427
132 HA TYR 19 HA TYR 19 -3.105 -3.254 1.378
133 HB2 TYR 19 HB2 TYR 19 -1.295 -2.801 -0.989
134 HB3 TYR 19 HB3 TYR 19 -2.963 -2.294 -1.100
135 HD1 TYR 19 HD1 TYR 19 -3.965 -0.761 0.651
136 HD2 TYR 19 HD2 TYR 19 0.281 -1.391 0.236
137 HE1 TYR 19 HE1 TYR 19 -3.532 1.347 1.890
138 HE2 TYR 19 HE2 TYR 19 0.717 0.722 1.463
139 HH TYR 19 HH TYR 19 -1.939 2.802 2.704
140 H CYS 20 HN CYS 20 -2.355 -6.184 -0.049
141 HA CYS 20 HA CYS 20 -4.871 -6.502 -1.555
142 HB2 CYS 20 HB2 CYS 20 -2.504 -7.530 -2.024
143 HB3 CYS 20 HB3 CYS 20 -2.983 -8.709 -0.798
144 H ASN 21 H ASN 21 -6.218 -8.504 -1.008
145 HA ASN 21 HA ASN 21 -6.573 -9.120 1.827
146 HB2 ASN 21 HB2 ASN 21 -8.845 -8.103 1.966
147 HB3 ASN 21 HB3 ASN 21 -7.551 -6.926 1.850
148 HD21 ASN 21 HD21 ASN 21 -9.695 -8.727 -0.357
149 HD22 ASN 21 HD22 ASN 21 -10.121 -7.314 -1.347
150 H1 PHE 1 H1 PHE 1 15.572 -4.885 0.247
151 H2 PHE 1 H2 PHE 1 15.039 -3.781 -0.847
152 H3 PHE 1 H3 PHE 1 16.190 -4.860 -1.277
153 HA PHE 1 HA PHE 1 14.676 -6.701 -1.046
154 HB2 PHE 1 HB2 PHE 1 12.588 -4.554 -0.478
155 HB3 PHE 1 HB3 PHE 1 12.296 -6.282 -0.589
156 HD1 PHE 1 HD1 PHE 1 13.609 -7.837 1.069
157 HD2 PHE 1 HD2 PHE 1 12.989 -3.607 1.657
158 HE1 PHE 1 HE1 PHE 1 14.036 -8.112 3.496
159 HE2 PHE 1 HE2 PHE 1 13.415 -3.887 4.090
160 HZ PHE 1 HZ PHE 1 13.937 -6.138 5.011
161 H VAL 2 H VAL 2 12.413 -6.773 -2.616
162 HA VAL 2 HA VAL 2 13.256 -5.541 -5.195
163 HB VAL 2 HB VAL 2 10.857 -7.344 -4.697
164 HG11 VAL 2 HG11 VAL 2 12.285 -6.491 -7.266
165 HG12 VAL 2 HG12 VAL 2 10.906 -7.600 -7.166
166 HG13 VAL 2 HG13 VAL 2 10.701 -5.898 -6.737
167 HG21 VAL 2 HG21 VAL 2 12.900 -8.627 -4.236
168 HG22 VAL 2 HG22 VAL 2 12.231 -9.120 -5.791
169 HG23 VAL 2 HG23 VAL 2 13.642 -8.046 -5.740
170 H ASN 3 H ASN 3 12.601 -3.527 -5.570
171 HA ASN 3 HA ASN 3 9.994 -2.501 -4.697
172 HB2 ASN 3 HB2 ASN 3 11.164 -0.603 -3.424
173 HB3 ASN 3 HB3 ASN 3 11.065 -2.172 -2.642
174 HD21 ASN 3 HD21 ASN 3 13.486 -0.818 -5.040
175 HD22 ASN 3 HD22 ASN 3 14.842 -1.162 -3.984
176 H GLN 4 H GLN 4 9.341 -0.536 -5.620
177 HA GLN 4 HA GLN 4 10.979 0.724 -7.722
178 HB2 GLN 4 HB2 GLN 4 10.163 -1.546 -8.588
179 HB3 GLN 4 HB3 GLN 4 8.517 -0.933 -8.450
180 HG2 GLN 4 HG2 GLN 4 8.977 0.771 -10.151
181 HG3 GLN 4 HG3 GLN 4 10.697 0.353 -10.164
182 HE21 GLN 4 HE21 GLN 4 11.290 -1.844 -11.046
183 HE22 GLN 4 HE22 GLN 4 10.186 -2.592 -12.192
184 H HIS 5 H HIS 5 9.778 2.490 -8.837
185 HA HIS 5 HA HIS 5 7.646 3.687 -7.172
186 HB2 HIS 5 HB2 HIS 5 9.286 4.755 -9.482
187 HB3 HIS 5 HB3 HIS 5 7.869 5.573 -8.842
188 HD1 HIS 5 HD1 HIS 5 8.153 6.938 -6.586
189 HD2 HIS 5 HD2 HIS 5 11.476 4.628 -7.756
190 HE1 HIS 5 HE1 HIS 5 10.074 7.632 -5.086
191 H LEU 6 H LEU 6 5.571 3.598 -7.697
192 HA LEU 6 HA LEU 6 4.602 2.743 -10.382
193 HB2 LEU 6 HB2 LEU 6 4.129 1.435 -7.665
194 HB3 LEU 6 HB3 LEU 6 3.082 1.137 -9.045
195 HG LEU 6 HG LEU 6 6.069 0.513 -9.083
196 HD11 LEU 6 HD11 LEU 6 3.704 -1.238 -8.326
197 HD12 LEU 6 HD12 LEU 6 5.065 -0.758 -7.290
198 HD13 LEU 6 HD13 LEU 6 5.341 -1.836 -8.670
199 HD21 LEU 6 HD21 LEU 6 5.057 0.720 -11.321
200 HD22 LEU 6 HD22 LEU 6 3.737 -0.369 -10.842
201 HD23 LEU 6 HD23 LEU 6 5.406 -0.974 -10.960
202 H CYS 7 HN CYS 7 2.731 3.773 -10.948
203 HA CYS 7 HA CYS 7 1.287 5.400 -8.888
204 HB2 CYS 7 HB2 CYS 7 3.206 6.416 -10.589
205 HB3 CYS 7 HB3 CYS 7 1.762 6.619 -11.563
206 H GLY 8 H GLY 8 -0.900 5.622 -9.181
207 HA2 GLY 8 HA2 GLY 8 -3.033 5.345 -10.037
208 HA3 GLY 8 HA3 GLY 8 -2.278 5.852 -11.542
209 H SER 9 H SER 9 -2.805 4.589 -13.192
210 HA SER 9 HA SER 9 -3.979 1.992 -13.025
211 HB2 SER 9 HB2 SER 9 -3.543 1.981 -15.502
212 HB3 SER 9 HB3 SER 9 -4.436 3.387 -14.895
213 HG SER 9 HG SER 9 -2.751 3.980 -16.375
214 H HIS 10 H HIS 10 -0.530 2.965 -13.482
215 HA HIS 10 HA HIS 10 0.407 0.282 -14.024
216 HB2 HIS 10 HB2 HIS 10 1.885 2.672 -12.844
217 HB3 HIS 10 HB3 HIS 10 2.601 1.238 -13.535
218 HD1 HIS 10 HD1 HIS 10 2.250 0.976 -16.313
219 HD2 HIS 10 HD2 HIS 10 1.273 4.641 -14.490
220 HE1 HIS 10 HE1 HIS 10 2.097 2.691 -18.191
221 H LEU 11 H LEU 11 -0.117 2.132 -11.018
222 HA LEU 11 HA LEU 11 0.985 0.101 -9.267
223 HB2 LEU 11 HB2 LEU 11 0.800 2.483 -8.649
224 HB3 LEU 11 HB3 LEU 11 -0.955 2.404 -8.743
225 HG LEU 11 HG LEU 11 -1.035 0.886 -6.820
226 HD11 LEU 11 HD11 LEU 11 0.981 0.400 -5.483
227 HD12 LEU 11 HD12 LEU 11 2.006 1.141 -6.729
228 HD13 LEU 11 HD13 LEU 11 1.094 -0.347 -7.074
229 HD21 LEU 11 HD21 LEU 11 0.640 3.416 -6.451
230 HD22 LEU 11 HD22 LEU 11 -0.084 2.515 -5.118
231 HD23 LEU 11 HD23 LEU 11 -1.131 3.242 -6.355
232 H VAL 12 H VAL 12 -2.329 0.827 -10.378
233 HA VAL 12 HA VAL 12 -3.664 -1.321 -9.050
234 HB VAL 12 HB VAL 12 -4.255 0.106 -11.663
235 HG11 VAL 12 HG11 VAL 12 -6.065 -1.908 -10.262
236 HG12 VAL 12 HG12 VAL 12 -6.550 -0.836 -11.584
237 HG13 VAL 12 HG13 VAL 12 -5.350 -2.089 -11.880
238 HG21 VAL 12 HG21 VAL 12 -5.605 0.192 -8.935
239 HG22 VAL 12 HG22 VAL 12 -4.459 1.398 -9.540
240 HG23 VAL 12 HG23 VAL 12 -6.016 1.183 -10.355
241 H GLU 13 H GLU 13 -2.119 -1.309 -12.340
242 HA GLU 13 HA GLU 13 -2.578 -4.082 -12.867
243 HB2 GLU 13 HB2 GLU 13 -0.493 -2.107 -13.871
244 HB3 GLU 13 HB3 GLU 13 -0.586 -3.765 -14.451
245 HG2 GLU 13 HG2 GLU 13 -2.918 -1.804 -14.628
246 HG3 GLU 13 HG3 GLU 13 -1.734 -2.049 -15.901
247 H ALA 14 H ALA 14 0.227 -2.449 -11.259
248 HA ALA 14 HA ALA 14 1.743 -4.834 -10.872
249 HB1 ALA 14 HB1 ALA 14 2.659 -2.561 -10.639
250 HB2 ALA 14 HB2 ALA 14 1.640 -2.281 -9.208
251 HB3 ALA 14 HB3 ALA 14 2.927 -3.506 -9.163
252 H LEU 15 H LEU 15 -0.775 -3.332 -8.755
253 HA LEU 15 HA LEU 15 -0.602 -5.253 -6.644
254 HB2 LEU 15 HB2 LEU 15 -2.855 -3.509 -7.692
255 HB3 LEU 15 HB3 LEU 15 -3.048 -4.543 -6.285
256 HG LEU 15 HG LEU 15 -0.845 -2.451 -6.413
257 HD11 LEU 15 HD11 LEU 15 -3.633 -2.115 -5.246
258 HD12 LEU 15 HD12 LEU 15 -3.063 -1.354 -6.747
259 HD13 LEU 15 HD13 LEU 15 -2.317 -0.932 -5.203
260 HD21 LEU 15 HD21 LEU 15 -2.248 -3.854 -4.086
261 HD22 LEU 15 HD22 LEU 15 -0.958 -2.635 -3.948
262 HD23 LEU 15 HD23 LEU 15 -0.606 -4.203 -4.678
263 H TYR 16 H TYR 16 -2.556 -5.354 -9.666
264 HA TYR 16 HA TYR 16 -3.733 -7.933 -9.163
265 HB2 TYR 16 HB2 TYR 16 -3.145 -6.353 -11.688
266 HB3 TYR 16 HB3 TYR 16 -3.723 -8.002 -11.782
267 HD1 TYR 16 HD2 TYR 16 -5.840 -8.550 -10.219
268 HD2 TYR 16 HD1 TYR 16 -4.832 -4.697 -11.871
269 HE1 TYR 16 HE2 TYR 16 -8.215 -7.838 -9.998
270 HE2 TYR 16 HE1 TYR 16 -7.199 -3.990 -11.667
271 HH TYR 16 HH TYR 16 -9.740 -6.153 -10.338
272 H LEU 17 H LEU 17 -0.694 -7.084 -10.909
273 HA LEU 17 HA LEU 17 -0.022 -9.812 -11.541
274 HB2 LEU 17 HB2 LEU 17 1.607 -7.240 -11.370
275 HB3 LEU 17 HB3 LEU 17 2.298 -8.755 -11.927
276 HG LEU 17 HG LEU 17 -0.132 -7.486 -13.262
277 HD11 LEU 17 HD11 LEU 17 1.434 -6.658 -14.977
278 HD12 LEU 17 HD12 LEU 17 2.808 -7.242 -14.014
279 HD13 LEU 17 HD13 LEU 17 1.768 -5.935 -13.397
280 HD21 LEU 17 HD21 LEU 17 0.504 -8.929 -15.164
281 HD22 LEU 17 HD22 LEU 17 0.126 -9.896 -13.736
282 HD23 LEU 17 HD23 LEU 17 1.824 -9.626 -14.208
283 H VAL 18 H VAL 18 1.031 -7.741 -8.840
284 HA VAL 18 HA VAL 18 2.899 -9.702 -7.833
285 HB VAL 18 HB VAL 18 1.841 -7.117 -6.650
286 HG11 VAL 18 HG11 VAL 18 4.061 -8.917 -5.593
287 HG12 VAL 18 HG12 VAL 18 3.794 -7.236 -5.096
288 HG13 VAL 18 HG13 VAL 18 2.562 -8.453 -4.752
289 HG21 VAL 18 HG21 VAL 18 4.055 -6.256 -7.333
290 HG22 VAL 18 HG22 VAL 18 4.553 -7.878 -7.859
291 HG23 VAL 18 HG23 VAL 18 3.293 -6.996 -8.735
292 H CYS 19 HN CYS 19 -0.444 -8.757 -6.764
293 HA CYS 19 HA CYS 19 -0.311 -10.758 -4.602
294 HB2 CYS 19 HB2 CYS 19 -1.445 -8.543 -4.359
295 HB3 CYS 19 HB3 CYS 19 -2.680 -9.098 -5.502
296 H GLY 20 H GLY 20 -1.754 -10.566 -7.851
297 HA2 GLY 20 HA2 GLY 20 -2.523 -12.332 -9.185
298 HA3 GLY 20 HA3 GLY 20 -2.431 -13.440 -7.805
299 H GLU 21 H GLU 21 -4.463 -14.257 -8.318
300 HA GLU 21 HA GLU 21 -6.794 -12.711 -8.764
301 HB2 GLU 21 HB2 GLU 21 -7.966 -14.819 -8.781
302 HB3 GLU 21 HB3 GLU 21 -6.425 -14.972 -9.609
303 HG2 GLU 21 HG2 GLU 21 -5.452 -16.076 -7.592
304 HG3 GLU 21 HG3 GLU 21 -6.998 -15.918 -6.766
305 H ARG 22 H ARG 22 -5.337 -13.180 -5.761
306 HA ARG 22 HA ARG 22 -7.473 -13.639 -3.985
307 HB2 ARG 22 HB2 ARG 22 -4.865 -12.123 -3.671
308 HB3 ARG 22 HB3 ARG 22 -5.970 -12.417 -2.324
309 HG2 ARG 22 HG2 ARG 22 -5.805 -14.834 -2.634
310 HG3 ARG 22 HG3 ARG 22 -4.726 -14.632 -4.027
311 HD2 ARG 22 HD2 ARG 22 -4.074 -13.567 -1.248
312 HD3 ARG 22 HD3 ARG 22 -3.638 -15.200 -1.786
313 HE ARG 22 HE ARG 22 -2.641 -13.530 -3.780
314 HH11 ARG 22 HH21 ARG 22 -2.013 -13.733 -0.279
315 HH12 ARG 22 HH22 ARG 22 -0.365 -13.207 -0.503
316 HH21 ARG 22 HH11 ARG 22 -0.548 -12.961 -3.936
317 HH22 ARG 22 HH12 ARG 22 0.442 -12.724 -2.498
318 H GLY 23 H GLY 23 -6.446 -10.555 -5.430
319 HA2 GLY 23 HA2 GLY 23 -7.786 -8.707 -5.894
320 HA3 GLY 23 HA3 GLY 23 -9.079 -9.359 -4.875
321 H PHE 24 H PHE 24 -7.962 -6.651 -5.083
322 HA PHE 24 HA PHE 24 -7.103 -6.105 -2.279
323 HB2 PHE 24 HB2 PHE 24 -5.355 -4.629 -3.193
324 HB3 PHE 24 HB3 PHE 24 -5.149 -6.273 -3.769
325 HD1 PHE 24 HD1 PHE 24 -6.146 -2.841 -4.790
326 HD2 PHE 24 HD2 PHE 24 -5.346 -6.878 -6.084
327 HE1 PHE 24 HE1 PHE 24 -6.110 -2.080 -7.153
328 HE2 PHE 24 HE2 PHE 24 -5.320 -6.107 -8.429
329 HZ PHE 24 HZ PHE 24 -5.690 -3.719 -8.979
330 H PHE 25 H PHE 25 -7.017 -3.673 -1.913
331 HA PHE 25 HA PHE 25 -8.953 -2.082 -3.498
332 HB2 PHE 25 HB2 PHE 25 -10.233 -2.883 -1.570
333 HB3 PHE 25 HB3 PHE 25 -8.979 -2.338 -0.467
334 HD1 PHE 25 HD1 PHE 25 -11.600 -1.193 -2.872
335 HD2 PHE 25 HD2 PHE 25 -8.827 -0.006 0.220
336 HE1 PHE 25 HE1 PHE 25 -12.693 1.033 -2.737
337 HE2 PHE 25 HE2 PHE 25 -9.919 2.227 0.336
338 HZ PHE 25 HZ PHE 25 -11.855 2.745 -1.136
339 H TYR 26 H TYR 26 -7.608 -0.589 -4.364
340 HA TYR 26 HA TYR 26 -5.294 0.369 -2.851
341 HB2 TYR 26 HB2 TYR 26 -4.357 0.896 -4.788
342 HB3 TYR 26 HB3 TYR 26 -5.392 -0.383 -5.337
343 HD1 TYR 26 HD1 TYR 26 -7.973 0.799 -5.928
344 HD2 TYR 26 HD2 TYR 26 -4.032 2.496 -6.410
345 HE1 TYR 26 HE1 TYR 26 -8.813 2.235 -7.767
346 HE2 TYR 26 HE2 TYR 26 -4.875 3.941 -8.235
347 HH TYR 26 HH TYR 26 -6.671 4.506 -9.548
348 H THR 27 H THR 27 -4.792 2.483 -2.386
349 HA THR 27 HA THR 27 -7.085 4.353 -2.022
350 HB THR 27 HB THR 27 -5.822 5.040 0.053
351 HG1 THR 27 HG1 THR 27 -4.505 3.164 0.786
352 HG21 THR 27 HG21 THR 27 -6.763 2.135 -0.086
353 HG22 THR 27 HG22 THR 27 -7.822 3.560 0.087
354 HG23 THR 27 HG23 THR 27 -6.665 3.160 1.363
355 HA PRO 28 HA PRO 28 -4.124 7.031 -4.356
356 HB2 PRO 28 HB2 PRO 28 -5.832 7.895 -6.294
357 HB3 PRO 28 HB3 PRO 28 -4.931 6.352 -6.447
358 HG2 PRO 28 HG2 PRO 28 -7.768 6.728 -5.446
359 HG3 PRO 28 HG3 PRO 28 -7.188 5.615 -6.723
360 HD2 PRO 28 HD2 PRO 28 -7.520 4.759 -4.189
361 HD3 PRO 28 HD3 PRO 28 -6.117 4.220 -5.129
362 H LYS 29 H LYS 29 -4.063 9.205 -3.980
363 HA LYS 29 HA LYS 29 -5.784 10.232 -1.924
364 HB2 LYS 29 HB2 LYS 29 -3.276 10.551 -2.350
365 HB3 LYS 29 HB3 LYS 29 -3.714 11.770 -3.554
366 HG2 LYS 29 HG2 LYS 29 -4.787 13.138 -1.799
367 HG3 LYS 29 HG3 LYS 29 -4.568 11.829 -0.620
368 HD2 LYS 29 HD2 LYS 29 -2.090 11.997 -0.956
369 HD3 LYS 29 HD3 LYS 29 -2.354 13.416 -1.994
370 HE2 LYS 29 HE2 LYS 29 -3.371 14.644 -0.141
371 HE3 LYS 29 HE3 LYS 29 -3.338 13.206 0.885
372 HZ1 LYS 29 HZ1 LYS 29 -0.920 13.236 0.796
373 HZ2 LYS 29 HZ2 LYS 29 -1.482 14.649 1.409
374 HZ3 LYS 29 HZ3 LYS 29 -0.927 14.592 -0.132
375 H THR 30 H THR 30 -6.274 10.214 -5.262
376 HA THR 30 HA THR 30 -7.593 12.804 -5.608
377 HB THR 30 HB THR 30 -8.085 11.831 -7.889
378 HG1 THR 30 HG1 THR 30 -7.069 9.862 -8.359
379 HG21 THR 30 HG21 THR 30 -6.014 13.149 -7.450
380 HG22 THR 30 HG22 THR 30 -5.771 11.885 -8.670
381 HG23 THR 30 HG23 THR 30 -5.162 11.648 -7.021
382 H LYS 31 H LYS 31 -8.689 9.640 -4.650
383 HA LYS 31 HA LYS 31 -11.508 10.537 -4.760
384 HB2 LYS 31 HB2 LYS 31 -12.206 8.588 -6.077
385 HB3 LYS 31 HB3 LYS 31 -11.149 9.675 -6.964
386 HG2 LYS 31 HG2 LYS 31 -9.242 8.175 -6.671
387 HG3 LYS 31 HG3 LYS 31 -10.215 7.080 -5.667
388 HD2 LYS 31 HD2 LYS 31 -11.717 6.632 -7.575
389 HD3 LYS 31 HD3 LYS 31 -10.804 7.782 -8.579
390 HE2 LYS 31 HE2 LYS 31 -8.755 6.405 -8.299
391 HE3 LYS 31 HE3 LYS 31 -9.657 5.249 -7.309
392 HZ1 LYS 31 HZ1 LYS 31 -11.053 4.778 -9.243
393 HZ2 LYS 31 HZ2 LYS 31 -9.476 4.525 -9.612
394 HZ3 LYS 31 HZ3 LYS 31 -10.239 5.868 -10.154
395 H ARG 32 H ARG 32 -9.769 9.967 -2.531
396 HA ARG 32 HA ARG 32 -11.727 8.372 -0.998
397 HB2 ARG 32 HB2 ARG 32 -8.723 7.839 -0.887
398 HB3 ARG 32 HB3 ARG 32 -9.819 7.492 0.440
399 HG2 ARG 32 HG2 ARG 32 -9.761 5.442 -0.526
400 HG3 ARG 32 HG3 ARG 32 -11.194 6.102 -1.308
401 HD2 ARG 32 HD2 ARG 32 -9.749 6.690 -3.306
402 HD3 ARG 32 HD3 ARG 32 -8.379 6.019 -2.464
403 HE ARG 32 HE ARG 32 -9.134 3.837 -2.882
404 HH11 ARG 32 HH11 ARG 32 -11.737 6.021 -3.837
405 HH12 ARG 32 HH12 ARG 32 -12.497 4.772 -4.788
406 HH21 ARG 32 HH21 ARG 32 -10.105 2.391 -4.110
407 HH22 ARG 32 HH22 ARG 32 -11.591 2.762 -4.948
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 -0.897 8.090 2.622
2 H2 GLY 1 2H GLY 1 -2.481 8.462 2.408
3 H3 GLY 1 3H GLY 1 -1.369 8.970 1.315
4 HA2 GLY 1 HA2 GLY 1 -2.182 6.182 1.793
5 HA3 GLY 1 HA3 GLY 1 -2.531 7.168 0.356
6 H ILE 2 H ILE 2 -1.423 4.854 -0.213
7 HA ILE 2 HA ILE 2 1.506 4.908 -0.111
8 HB ILE 2 HB ILE 2 0.273 2.844 0.178
9 HG12 ILE 2 HG12 ILE 2 1.844 2.627 -2.406
10 HG13 ILE 2 HG13 ILE 2 2.620 2.979 -0.859
11 HG21 ILE 2 HG21 ILE 2 -0.860 1.697 -1.714
12 HG22 ILE 2 HG22 ILE 2 -1.656 3.209 -1.317
13 HG23 ILE 2 HG23 ILE 2 -0.597 3.109 -2.744
14 HD11 ILE 2 HD11 ILE 2 1.775 0.872 0.073
15 HD12 ILE 2 HD12 ILE 2 1.005 0.481 -1.480
16 HD13 ILE 2 HD13 ILE 2 2.769 0.610 -1.375
17 H VAL 3 H VAL 3 -0.809 5.908 -2.535
18 HA VAL 3 HA VAL 3 0.868 5.637 -4.847
19 HB VAL 3 HB VAL 3 -1.264 7.771 -4.425
20 HG11 VAL 3 HG11 VAL 3 -1.537 7.562 -6.915
21 HG12 VAL 3 HG12 VAL 3 0.026 8.214 -6.427
22 HG13 VAL 3 HG13 VAL 3 -0.104 6.520 -6.946
23 HG21 VAL 3 HG21 VAL 3 -2.820 6.172 -5.530
24 HG22 VAL 3 HG22 VAL 3 -1.600 4.897 -5.364
25 HG23 VAL 3 HG23 VAL 3 -2.312 5.652 -3.924
26 H GLU 4 H GLU 4 0.392 8.274 -2.533
27 HA GLU 4 HA GLU 4 2.161 10.201 -3.616
28 HB2 GLU 4 HB2 GLU 4 1.501 9.797 -0.668
29 HB3 GLU 4 HB3 GLU 4 2.003 11.278 -1.474
30 HG2 GLU 4 HG2 GLU 4 -0.208 11.736 -1.412
31 HG3 GLU 4 HG3 GLU 4 -0.233 10.832 -2.920
32 H GLN 5 H GLN 5 2.962 7.197 -2.065
33 HA GLN 5 HA GLN 5 5.766 8.072 -1.534
34 HB2 GLN 5 HB2 GLN 5 4.612 6.611 0.162
35 HB3 GLN 5 HB3 GLN 5 4.467 5.354 -1.073
36 HG2 GLN 5 HG2 GLN 5 7.014 5.489 -1.345
37 HG3 GLN 5 HG3 GLN 5 7.038 6.503 0.096
38 HE21 GLN 5 HE21 GLN 5 8.162 3.745 -0.454
39 HE22 GLN 5 HE22 GLN 5 7.361 2.651 0.678
40 H CYS 6 HN CYS 6 3.985 5.465 -3.345
41 HA CYS 6 HA CYS 6 6.197 4.446 -4.717
42 HB2 CYS 6 HB2 CYS 6 3.259 4.604 -5.504
43 HB3 CYS 6 HB3 CYS 6 4.450 3.646 -6.369
44 H CYS 7 HN CYS 7 4.174 7.195 -5.776
45 HA CYS 7 HA CYS 7 5.398 7.370 -8.425
46 HB2 CYS 7 HB2 CYS 7 3.671 9.325 -6.867
47 HB3 CYS 7 HB3 CYS 7 4.096 9.474 -8.567
48 H THR 8 H THR 8 6.262 8.637 -5.312
49 HA THR 8 HA THR 8 7.891 10.882 -6.476
50 HB THR 8 HB THR 8 6.734 10.534 -3.682
51 HG1 THR 8 HG1 THR 8 5.128 11.898 -4.403
52 HG21 THR 8 HG21 THR 8 8.609 12.121 -3.686
53 HG22 THR 8 HG22 THR 8 7.090 12.999 -3.527
54 HG23 THR 8 HG23 THR 8 7.925 12.973 -5.093
55 H SER 9 H SER 9 7.988 8.189 -4.216
56 HA SER 9 HA SER 9 10.971 8.239 -4.262
57 HB2 SER 9 HB2 SER 9 9.956 9.008 -2.025
58 HB3 SER 9 HB3 SER 9 9.341 7.353 -1.862
59 HG SER 9 HG SER 9 11.449 7.751 -0.874
60 H ILE 10 H ILE 10 11.263 5.826 -2.922
61 HA ILE 10 HA ILE 10 10.254 3.861 -4.923
62 HB ILE 10 HB ILE 10 12.694 4.093 -4.300
63 HG12 ILE 10 HG12 ILE 10 11.455 1.363 -3.881
64 HG13 ILE 10 HG13 ILE 10 11.693 2.170 -5.439
65 HG21 ILE 10 HG21 ILE 10 13.555 3.161 -2.245
66 HG22 ILE 10 HG22 ILE 10 12.342 4.365 -1.814
67 HG23 ILE 10 HG23 ILE 10 11.937 2.636 -1.731
68 HD11 ILE 10 HD11 ILE 10 13.920 1.300 -3.561
69 HD12 ILE 10 HD12 ILE 10 13.473 0.568 -5.109
70 HD13 ILE 10 HD13 ILE 10 14.136 2.208 -5.082
71 H CYS 11 HN CYS 11 8.967 2.064 -4.378
72 HA CYS 11 HA CYS 11 8.124 1.748 -1.549
73 HB2 CYS 11 HB2 CYS 11 5.832 1.735 -1.998
74 HB3 CYS 11 HB3 CYS 11 6.452 3.193 -2.763
75 H SER 12 H SER 12 7.170 -0.288 -1.031
76 HA SER 12 HA SER 12 8.641 -2.395 -2.530
77 HB2 SER 12 HB2 SER 12 7.662 -2.414 0.326
78 HB3 SER 12 HB3 SER 12 8.794 -3.533 -0.435
79 HG SER 12 HG SER 12 9.819 -1.859 0.827
80 H LEU 13 H LEU 13 7.831 -4.471 -2.959
81 HA LEU 13 HA LEU 13 5.025 -4.715 -3.508
82 HB2 LEU 13 HB2 LEU 13 7.031 -6.968 -3.100
83 HB3 LEU 13 HB3 LEU 13 5.497 -7.050 -3.959
84 HG LEU 13 HG LEU 13 8.038 -5.632 -4.825
85 HD11 LEU 13 HD11 LEU 13 7.930 -7.173 -6.716
86 HD12 LEU 13 HD12 LEU 13 6.380 -7.823 -6.139
87 HD13 LEU 13 HD13 LEU 13 7.867 -8.090 -5.207
88 HD21 LEU 13 HD21 LEU 13 5.342 -5.513 -6.234
89 HD22 LEU 13 HD22 LEU 13 6.887 -4.934 -6.885
90 HD23 LEU 13 HD23 LEU 13 6.191 -4.141 -5.474
91 H TYR 14 H TYR 14 6.911 -5.496 -0.640
92 HA TYR 14 HA TYR 14 4.960 -6.879 0.906
93 HB2 TYR 14 HB2 TYR 14 7.312 -6.752 1.502
94 HB3 TYR 14 HB3 TYR 14 7.237 -4.998 1.641
95 HD1 TYR 14 HD1 TYR 14 5.967 -8.183 3.160
96 HD2 TYR 14 HD2 TYR 14 6.620 -3.949 3.687
97 HE1 TYR 14 HE1 TYR 14 5.363 -8.391 5.561
98 HE2 TYR 14 HE2 TYR 14 6.023 -4.156 6.091
99 HH TYR 14 HH TYR 14 5.098 -7.296 7.576
100 H GLN 15 H GLN 15 5.226 -3.447 0.106
101 HA GLN 15 HA GLN 15 3.182 -2.607 2.096
102 HB2 GLN 15 HB2 GLN 15 4.513 -1.056 -0.168
103 HB3 GLN 15 HB3 GLN 15 3.429 -0.401 1.040
104 HG2 GLN 15 HG2 GLN 15 5.036 -0.938 2.838
105 HG3 GLN 15 HG3 GLN 15 6.169 -1.569 1.643
106 HE21 GLN 15 HE21 GLN 15 4.697 1.368 2.954
107 HE22 GLN 15 HE22 GLN 15 5.593 2.502 1.958
108 H LEU 16 H LEU 16 3.453 -3.243 -1.431
109 HA LEU 16 HA LEU 16 0.730 -2.562 -2.055
110 HB2 LEU 16 HB2 LEU 16 2.594 -4.586 -3.372
111 HB3 LEU 16 HB3 LEU 16 1.092 -3.994 -4.047
112 HG LEU 16 HG LEU 16 3.641 -2.394 -3.544
113 HD11 LEU 16 HD11 LEU 16 3.711 -3.817 -5.527
114 HD12 LEU 16 HD12 LEU 16 3.619 -2.120 -5.998
115 HD13 LEU 16 HD13 LEU 16 2.169 -3.143 -6.106
116 HD21 LEU 16 HD21 LEU 16 0.976 -1.375 -4.593
117 HD22 LEU 16 HD22 LEU 16 2.513 -0.473 -4.631
118 HD23 LEU 16 HD23 LEU 16 1.776 -0.892 -3.089
119 H GLU 17 H GLU 17 2.135 -5.678 -1.017
120 HA GLU 17 HA GLU 17 -0.250 -7.191 -1.044
121 HB2 GLU 17 HB2 GLU 17 2.240 -7.432 0.678
122 HB3 GLU 17 HB3 GLU 17 0.878 -8.552 0.802
123 HG2 GLU 17 HG2 GLU 17 1.071 -8.891 -1.731
124 HG3 GLU 17 HG3 GLU 17 2.653 -8.121 -1.615
125 H ASN 18 H ASN 18 0.483 -4.616 1.225
126 HA ASN 18 HA ASN 18 -1.171 -5.445 3.407
127 HB2 ASN 18 HB2 ASN 18 0.448 -3.585 3.505
128 HB3 ASN 18 HB3 ASN 18 -0.527 -2.685 2.345
129 HD21 ASN 18 HD21 ASN 18 -2.151 -1.340 3.104
130 HD22 ASN 18 HD22 ASN 18 -2.678 -1.345 4.775
131 H TYR 19 H TYR 19 -1.984 -4.215 0.223
132 HA TYR 19 HA TYR 19 -4.787 -3.587 0.990
133 HB2 TYR 19 HB2 TYR 19 -3.150 -2.982 -1.501
134 HB3 TYR 19 HB3 TYR 19 -4.793 -2.416 -1.190
135 HD1 TYR 19 HD2 TYR 19 -5.162 -1.025 1.022
136 HD2 TYR 19 HD1 TYR 19 -1.292 -1.714 -0.744
137 HE1 TYR 19 HE2 TYR 19 -4.277 0.968 2.204
138 HE2 TYR 19 HE1 TYR 19 -0.387 0.243 0.490
139 HH TYR 19 HH TYR 19 -2.437 2.299 2.594
140 H CYS 20 HN CYS 20 -3.261 -6.338 -0.077
141 HA CYS 20 HA CYS 20 -5.168 -7.176 -2.120
142 HB2 CYS 20 HB2 CYS 20 -3.208 -8.823 -0.490
143 HB3 CYS 20 HB3 CYS 20 -4.096 -9.357 -1.912
144 H ASN 21 H ASN 21 -7.058 -8.087 -1.874
145 HA ASN 21 HA ASN 21 -8.269 -9.765 -0.100
146 HB2 ASN 21 HB2 ASN 21 -9.620 -8.220 1.378
147 HB3 ASN 21 HB3 ASN 21 -7.945 -8.451 1.860
148 HD21 ASN 21 HD21 ASN 21 -9.089 -6.244 -0.714
149 HD22 ASN 21 HD22 ASN 21 -8.594 -4.780 0.164
150 H1 PHE 1 H1 PHE 1 12.431 -8.362 1.568
151 H2 PHE 1 H2 PHE 1 13.494 -8.405 0.322
152 H3 PHE 1 H3 PHE 1 13.158 -6.982 1.060
153 HA PHE 1 HA PHE 1 11.262 -8.586 -0.500
154 HB2 PHE 1 HB2 PHE 1 9.767 -6.534 -0.298
155 HB3 PHE 1 HB3 PHE 1 9.976 -7.513 1.140
156 HD1 PHE 1 HD1 PHE 1 11.470 -4.415 -0.479
157 HD2 PHE 1 HD2 PHE 1 10.376 -6.445 3.178
158 HE1 PHE 1 HE1 PHE 1 12.212 -2.458 0.832
159 HE2 PHE 1 HE2 PHE 1 11.060 -4.458 4.473
160 HZ PHE 1 HZ PHE 1 12.014 -2.468 3.311
161 H VAL 2 H VAL 2 10.478 -7.450 -2.471
162 HA VAL 2 HA VAL 2 12.655 -6.016 -3.917
163 HB VAL 2 HB VAL 2 10.051 -7.251 -4.858
164 HG11 VAL 2 HG11 VAL 2 10.864 -6.834 -7.182
165 HG12 VAL 2 HG12 VAL 2 10.467 -5.343 -6.328
166 HG13 VAL 2 HG13 VAL 2 12.169 -5.822 -6.520
167 HG21 VAL 2 HG21 VAL 2 11.521 -8.845 -6.050
168 HG22 VAL 2 HG22 VAL 2 12.950 -8.032 -5.371
169 HG23 VAL 2 HG23 VAL 2 11.819 -8.898 -4.309
170 H ASN 3 H ASN 3 12.363 -3.941 -4.790
171 HA ASN 3 HA ASN 3 9.900 -2.464 -4.303
172 HB2 ASN 3 HB2 ASN 3 10.925 -0.722 -2.942
173 HB3 ASN 3 HB3 ASN 3 11.012 -2.284 -2.153
174 HD21 ASN 3 HD21 ASN 3 12.533 -0.453 -1.057
175 HD22 ASN 3 HD22 ASN 3 14.225 -0.676 -1.478
176 H GLN 4 H GLN 4 9.727 -0.419 -5.344
177 HA GLN 4 HA GLN 4 11.612 0.403 -7.412
178 HB2 GLN 4 HB2 GLN 4 9.550 -1.666 -7.962
179 HB3 GLN 4 HB3 GLN 4 9.362 -0.274 -8.998
180 HG2 GLN 4 HG2 GLN 4 11.908 -1.918 -8.734
181 HG3 GLN 4 HG3 GLN 4 10.737 -2.015 -10.035
182 HE21 GLN 4 HE21 GLN 4 13.139 -1.614 -11.015
183 HE22 GLN 4 HE22 GLN 4 13.417 0.074 -11.418
184 H HIS 5 H HIS 5 10.494 1.954 -8.988
185 HA HIS 5 HA HIS 5 8.625 3.791 -7.536
186 HB2 HIS 5 HB2 HIS 5 10.149 4.073 -10.163
187 HB3 HIS 5 HB3 HIS 5 9.108 5.304 -9.444
188 HD1 HIS 5 HD1 HIS 5 10.032 6.110 -6.845
189 HD2 HIS 5 HD2 HIS 5 12.688 4.288 -9.546
190 HE1 HIS 5 HE1 HIS 5 12.361 6.830 -6.134
191 H LEU 6 H LEU 6 6.512 4.015 -8.186
192 HA LEU 6 HA LEU 6 5.491 2.753 -10.673
193 HB2 LEU 6 HB2 LEU 6 4.731 1.965 -7.823
194 HB3 LEU 6 HB3 LEU 6 3.712 1.604 -9.212
195 HG LEU 6 HG LEU 6 6.551 0.535 -8.882
196 HD11 LEU 6 HD11 LEU 6 5.173 -0.282 -7.081
197 HD12 LEU 6 HD12 LEU 6 5.405 -1.586 -8.260
198 HD13 LEU 6 HD13 LEU 6 3.861 -0.697 -8.201
199 HD21 LEU 6 HD21 LEU 6 4.266 -0.233 -10.775
200 HD22 LEU 6 HD22 LEU 6 5.823 -1.075 -10.632
201 HD23 LEU 6 HD23 LEU 6 5.773 0.585 -11.241
202 H CYS 7 HN CYS 7 3.693 3.854 -11.465
203 HA CYS 7 HA CYS 7 2.046 5.428 -9.611
204 HB2 CYS 7 HB2 CYS 7 4.117 6.766 -10.535
205 HB3 CYS 7 HB3 CYS 7 3.173 6.865 -12.020
206 H GLY 8 H GLY 8 0.047 6.117 -10.409
207 HA2 GLY 8 HA2 GLY 8 -1.922 5.971 -11.606
208 HA3 GLY 8 HA3 GLY 8 -0.861 6.112 -13.014
209 H SER 9 H SER 9 -1.450 4.697 -14.490
210 HA SER 9 HA SER 9 -2.910 2.285 -14.113
211 HB2 SER 9 HB2 SER 9 -2.190 1.838 -16.476
212 HB3 SER 9 HB3 SER 9 -2.947 3.415 -16.217
213 HG SER 9 HG SER 9 -1.012 3.528 -17.521
214 H HIS 10 H HIS 10 0.661 2.812 -14.296
215 HA HIS 10 HA HIS 10 1.250 -0.035 -14.252
216 HB2 HIS 10 HB2 HIS 10 2.914 2.457 -13.805
217 HB3 HIS 10 HB3 HIS 10 3.559 0.825 -13.698
218 HD1 HIS 10 HD1 HIS 10 2.544 -0.672 -16.161
219 HD2 HIS 10 HD2 HIS 10 3.548 3.429 -16.136
220 HE1 HIS 10 HE1 HIS 10 3.072 -0.042 -18.569
221 H LEU 11 H LEU 11 0.705 2.356 -11.683
222 HA LEU 11 HA LEU 11 1.545 0.502 -9.584
223 HB2 LEU 11 HB2 LEU 11 1.565 2.927 -9.225
224 HB3 LEU 11 HB3 LEU 11 -0.179 3.018 -9.463
225 HG LEU 11 HG LEU 11 -0.547 1.679 -7.414
226 HD11 LEU 11 HD11 LEU 11 2.486 1.743 -7.072
227 HD12 LEU 11 HD12 LEU 11 1.504 0.289 -7.345
228 HD13 LEU 11 HD13 LEU 11 1.312 1.214 -5.858
229 HD21 LEU 11 HD21 LEU 11 1.336 4.046 -7.037
230 HD22 LEU 11 HD22 LEU 11 0.229 3.390 -5.813
231 HD23 LEU 11 HD23 LEU 11 -0.423 4.120 -7.288
232 H VAL 12 H VAL 12 -1.627 1.426 -10.983
233 HA VAL 12 HA VAL 12 -3.242 -0.397 -9.497
234 HB VAL 12 HB VAL 12 -3.548 0.785 -12.270
235 HG11 VAL 12 HG11 VAL 12 -5.945 0.119 -12.204
236 HG12 VAL 12 HG12 VAL 12 -4.867 -1.269 -12.360
237 HG13 VAL 12 HG13 VAL 12 -5.609 -0.892 -10.785
238 HG21 VAL 12 HG21 VAL 12 -4.998 1.338 -9.643
239 HG22 VAL 12 HG22 VAL 12 -3.696 2.333 -10.315
240 HG23 VAL 12 HG23 VAL 12 -5.231 2.203 -11.181
241 H GLU 13 H GLU 13 -1.463 -0.900 -12.575
242 HA GLU 13 HA GLU 13 -2.030 -3.654 -12.958
243 HB2 GLU 13 HB2 GLU 13 -1.067 -2.230 -14.666
244 HB3 GLU 13 HB3 GLU 13 0.330 -1.895 -13.648
245 HG2 GLU 13 HG2 GLU 13 1.121 -4.183 -13.878
246 HG3 GLU 13 HG3 GLU 13 -0.316 -4.608 -14.819
247 H ALA 14 H ALA 14 0.669 -2.119 -11.115
248 HA ALA 14 HA ALA 14 1.865 -4.572 -10.305
249 HB1 ALA 14 HB1 ALA 14 2.977 -2.355 -10.178
250 HB2 ALA 14 HB2 ALA 14 1.866 -1.881 -8.870
251 HB3 ALA 14 HB3 ALA 14 3.010 -3.210 -8.623
252 H LEU 15 H LEU 15 -0.739 -2.633 -8.710
253 HA LEU 15 HA LEU 15 -1.072 -4.373 -6.455
254 HB2 LEU 15 HB2 LEU 15 -2.917 -2.469 -7.933
255 HB3 LEU 15 HB3 LEU 15 -3.613 -3.629 -6.832
256 HG LEU 15 HG LEU 15 -3.437 -1.602 -5.687
257 HD11 LEU 15 HD11 LEU 15 -1.183 -3.313 -4.581
258 HD12 LEU 15 HD12 LEU 15 -2.914 -3.658 -4.376
259 HD13 LEU 15 HD13 LEU 15 -2.214 -2.178 -3.700
260 HD21 LEU 15 HD21 LEU 15 -0.488 -1.504 -6.383
261 HD22 LEU 15 HD22 LEU 15 -1.303 -0.431 -5.225
262 HD23 LEU 15 HD23 LEU 15 -1.782 -0.406 -6.927
263 H TYR 16 H TYR 16 -2.665 -4.600 -9.713
264 HA TYR 16 HA TYR 16 -3.986 -7.026 -8.850
265 HB2 TYR 16 HB2 TYR 16 -4.977 -7.242 -10.921
266 HB3 TYR 16 HB3 TYR 16 -4.992 -5.558 -10.461
267 HD1 TYR 16 HD1 TYR 16 -2.717 -7.809 -12.542
268 HD2 TYR 16 HD2 TYR 16 -5.000 -4.159 -12.253
269 HE1 TYR 16 HE1 TYR 16 -2.093 -7.240 -14.861
270 HE2 TYR 16 HE2 TYR 16 -4.445 -3.631 -14.607
271 HH TYR 16 HH TYR 16 -2.352 -5.751 -16.610
272 H LEU 17 H LEU 17 -0.883 -6.542 -10.459
273 HA LEU 17 HA LEU 17 -0.437 -9.380 -10.951
274 HB2 LEU 17 HB2 LEU 17 1.421 -6.976 -10.771
275 HB3 LEU 17 HB3 LEU 17 1.982 -8.594 -11.163
276 HG LEU 17 HG LEU 17 -0.040 -7.042 -12.833
277 HD11 LEU 17 HD11 LEU 17 1.813 -6.757 -14.421
278 HD12 LEU 17 HD12 LEU 17 2.920 -7.606 -13.319
279 HD13 LEU 17 HD13 LEU 17 2.227 -6.039 -12.856
280 HD21 LEU 17 HD21 LEU 17 1.380 -9.687 -13.364
281 HD22 LEU 17 HD22 LEU 17 0.424 -8.773 -14.554
282 HD23 LEU 17 HD23 LEU 17 -0.371 -9.449 -13.128
283 H VAL 18 H VAL 18 0.505 -7.212 -8.242
284 HA VAL 18 HA VAL 18 1.948 -9.254 -6.805
285 HB VAL 18 HB VAL 18 0.707 -6.618 -5.941
286 HG11 VAL 18 HG11 VAL 18 0.612 -7.962 -3.917
287 HG12 VAL 18 HG12 VAL 18 2.275 -8.547 -4.184
288 HG13 VAL 18 HG13 VAL 18 1.970 -6.846 -3.800
289 HG21 VAL 18 HG21 VAL 18 2.798 -6.597 -7.364
290 HG22 VAL 18 HG22 VAL 18 3.062 -5.950 -5.738
291 HG23 VAL 18 HG23 VAL 18 3.604 -7.587 -6.143
292 H CYS 19 HN CYS 19 -1.477 -8.078 -6.469
293 HA CYS 19 HA CYS 19 -2.050 -9.982 -4.368
294 HB2 CYS 19 HB2 CYS 19 -3.919 -8.389 -6.147
295 HB3 CYS 19 HB3 CYS 19 -4.356 -9.239 -4.663
296 H GLY 20 H GLY 20 -2.602 -10.068 -7.906
297 HA2 GLY 20 HA2 GLY 20 -3.142 -11.821 -9.311
298 HA3 GLY 20 HA3 GLY 20 -2.616 -12.915 -8.018
299 H GLU 21 H GLU 21 -4.159 -14.378 -7.755
300 HA GLU 21 HA GLU 21 -6.931 -14.107 -8.266
301 HB2 GLU 21 HB2 GLU 21 -5.575 -16.203 -8.174
302 HB3 GLU 21 HB3 GLU 21 -5.514 -16.065 -6.414
303 HG2 GLU 21 HG2 GLU 21 -7.947 -16.344 -6.270
304 HG3 GLU 21 HG3 GLU 21 -8.095 -16.270 -8.029
305 H ARG 22 H ARG 22 -5.093 -13.171 -5.401
306 HA ARG 22 HA ARG 22 -7.200 -13.218 -3.467
307 HB2 ARG 22 HB2 ARG 22 -4.737 -11.440 -3.586
308 HB3 ARG 22 HB3 ARG 22 -5.764 -11.671 -2.182
309 HG2 ARG 22 HG2 ARG 22 -5.220 -14.052 -2.081
310 HG3 ARG 22 HG3 ARG 22 -4.209 -13.933 -3.528
311 HD2 ARG 22 HD2 ARG 22 -3.693 -12.343 -0.988
312 HD3 ARG 22 HD3 ARG 22 -2.995 -13.940 -1.302
313 HE ARG 22 HE ARG 22 -2.394 -12.362 -3.551
314 HH11 ARG 22 HH12 ARG 22 -1.482 -12.446 -0.097
315 HH12 ARG 22 HH11 ARG 22 0.114 -11.802 -0.460
316 HH21 ARG 22 HH21 ARG 22 -0.210 -11.515 -3.807
317 HH22 ARG 22 HH22 ARG 22 0.748 -11.337 -2.341
318 H GLY 23 H GLY 23 -6.422 -10.874 -5.982
319 HA2 GLY 23 HA2 GLY 23 -7.449 -8.907 -6.679
320 HA3 GLY 23 HA3 GLY 23 -8.794 -9.270 -5.589
321 H PHE 24 H PHE 24 -8.249 -6.702 -5.809
322 HA PHE 24 HA PHE 24 -7.327 -6.012 -3.099
323 HB2 PHE 24 HB2 PHE 24 -5.823 -4.340 -3.745
324 HB3 PHE 24 HB3 PHE 24 -5.435 -5.704 -4.776
325 HD1 PHE 24 HD1 PHE 24 -6.221 -5.723 -7.204
326 HD2 PHE 24 HD2 PHE 24 -6.418 -2.213 -4.695
327 HE1 PHE 24 HE1 PHE 24 -6.458 -4.283 -9.215
328 HE2 PHE 24 HE2 PHE 24 -6.631 -0.787 -6.709
329 HZ PHE 24 HZ PHE 24 -6.668 -1.825 -8.971
330 H PHE 25 H PHE 25 -8.048 -3.904 -2.403
331 HA PHE 25 HA PHE 25 -10.554 -2.978 -3.778
332 HB2 PHE 25 HB2 PHE 25 -10.902 -4.523 -1.841
333 HB3 PHE 25 HB3 PHE 25 -10.053 -3.386 -0.806
334 HD1 PHE 25 HD2 PHE 25 -12.643 -2.506 -3.414
335 HD2 PHE 25 HD1 PHE 25 -11.757 -2.992 0.782
336 HE1 PHE 25 HE2 PHE 25 -14.793 -1.439 -2.835
337 HE2 PHE 25 HE1 PHE 25 -13.920 -1.923 1.359
338 HZ PHE 25 HZ PHE 25 -15.443 -1.138 -0.452
339 H TYR 26 H TYR 26 -7.541 -1.936 -2.471
340 HA TYR 26 HA TYR 26 -8.194 0.638 -1.475
341 HB2 TYR 26 HB2 TYR 26 -6.106 -0.417 -1.006
342 HB3 TYR 26 HB3 TYR 26 -5.670 -0.495 -2.709
343 HD1 TYR 26 HD2 TYR 26 -6.306 1.897 0.111
344 HD2 TYR 26 HD1 TYR 26 -4.534 1.299 -3.772
345 HE1 TYR 26 HE2 TYR 26 -5.255 4.147 0.244
346 HE2 TYR 26 HE1 TYR 26 -3.462 3.537 -3.633
347 HH TYR 26 HH TYR 26 -4.022 5.739 -0.856
348 H THR 27 H THR 27 -8.834 2.475 -2.380
349 HA THR 27 HA THR 27 -8.742 2.895 -5.292
350 HB THR 27 HB THR 27 -10.076 4.987 -4.640
351 HG1 THR 27 HG1 THR 27 -11.092 4.711 -2.558
352 HG21 THR 27 HG21 THR 27 -11.120 2.931 -5.570
353 HG22 THR 27 HG22 THR 27 -12.155 3.694 -4.355
354 HG23 THR 27 HG23 THR 27 -11.223 2.240 -3.933
355 HA PRO 28 HA PRO 28 -4.918 4.968 -4.784
356 HB2 PRO 28 HB2 PRO 28 -4.649 6.280 -7.197
357 HB3 PRO 28 HB3 PRO 28 -4.484 4.507 -6.990
358 HG2 PRO 28 HG2 PRO 28 -6.923 6.067 -7.881
359 HG3 PRO 28 HG3 PRO 28 -6.210 4.598 -8.626
360 HD2 PRO 28 HD2 PRO 28 -8.328 4.450 -6.938
361 HD3 PRO 28 HD3 PRO 28 -7.035 3.214 -6.888
362 H LYS 29 H LYS 29 -4.283 6.701 -3.743
363 HA LYS 29 HA LYS 29 -4.160 8.718 -2.729
364 HB2 LYS 29 HB2 LYS 29 -5.576 9.790 -5.214
365 HB3 LYS 29 HB3 LYS 29 -4.780 10.759 -3.979
366 HG2 LYS 29 HG2 LYS 29 -2.613 9.676 -4.490
367 HG3 LYS 29 HG3 LYS 29 -3.397 8.715 -5.764
368 HD2 LYS 29 HD2 LYS 29 -4.042 10.814 -6.934
369 HD3 LYS 29 HD3 LYS 29 -3.248 11.763 -5.659
370 HE2 LYS 29 HE2 LYS 29 -1.078 10.653 -6.205
371 HE3 LYS 29 HE3 LYS 29 -1.883 9.734 -7.488
372 HZ1 LYS 29 HZ1 LYS 29 -0.784 11.707 -8.377
373 HZ2 LYS 29 HZ2 LYS 29 -1.652 12.692 -7.406
374 HZ3 LYS 29 HZ3 LYS 29 -2.398 11.843 -8.591
375 H THR 30 H THR 30 -7.034 7.194 -3.002
376 HA THR 30 HA THR 30 -8.722 9.277 -1.662
377 HB THR 30 HB THR 30 -9.485 6.807 -3.270
378 HG1 THR 30 HG1 THR 30 -8.635 8.383 -4.588
379 HG21 THR 30 HG21 THR 30 -11.744 7.858 -3.312
380 HG22 THR 30 HG22 THR 30 -11.185 9.081 -2.147
381 HG23 THR 30 HG23 THR 30 -11.272 7.366 -1.683
382 H LYS 31 H LYS 31 -7.980 5.802 -1.611
383 HA LYS 31 HA LYS 31 -7.789 4.277 -0.006
384 HB2 LYS 31 HB2 LYS 31 -6.863 6.118 1.437
385 HB3 LYS 31 HB3 LYS 31 -8.474 6.327 2.134
386 HG2 LYS 31 HG2 LYS 31 -8.455 4.012 2.963
387 HG3 LYS 31 HG3 LYS 31 -6.869 3.735 2.207
388 HD2 LYS 31 HD2 LYS 31 -5.885 5.519 3.638
389 HD3 LYS 31 HD3 LYS 31 -7.476 5.794 4.381
390 HE2 LYS 31 HE2 LYS 31 -7.498 3.451 5.209
391 HE3 LYS 31 HE3 LYS 31 -5.919 3.169 4.459
392 HZ1 LYS 31 HZ1 LYS 31 -4.997 4.874 5.933
393 HZ2 LYS 31 HZ2 LYS 31 -5.705 3.700 6.816
394 HZ3 LYS 31 HZ3 LYS 31 -6.456 5.137 6.620
395 H ARG 32 H ARG 32 -9.077 2.671 0.595
396 HA ARG 32 HA ARG 32 -11.866 2.903 -0.089
397 HB2 ARG 32 HB2 ARG 32 -11.958 0.610 -0.174
398 HB3 ARG 32 HB3 ARG 32 -10.384 1.051 -0.771
399 HG2 ARG 32 HG2 ARG 32 -11.084 -0.338 1.832
400 HG3 ARG 32 HG3 ARG 32 -10.233 -0.980 0.436
401 HD2 ARG 32 HD2 ARG 32 -8.586 -0.734 2.050
402 HD3 ARG 32 HD3 ARG 32 -8.328 0.638 0.968
403 HE ARG 32 HE ARG 32 -9.882 1.859 2.705
404 HH11 ARG 32 HH21 ARG 32 -7.552 -0.514 3.847
405 HH12 ARG 32 HH22 ARG 32 -7.802 -0.010 5.495
406 HH21 ARG 32 HH11 ARG 32 -10.175 2.355 4.601
407 HH22 ARG 32 HH12 ARG 32 -9.300 1.630 5.945
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 -1.291 6.487 4.375
2 H2 GLY 1 2H GLY 1 -0.722 5.133 5.089
3 H3 GLY 1 3H GLY 1 -2.315 5.503 5.190
4 HA2 GLY 1 HA2 GLY 1 -1.993 3.726 3.587
5 HA3 GLY 1 HA3 GLY 1 -2.618 5.202 2.825
6 H ILE 2 H ILE 2 -0.575 2.784 2.203
7 HA ILE 2 HA ILE 2 1.961 4.009 1.815
8 HB ILE 2 HB ILE 2 2.601 2.030 0.556
9 HG12 ILE 2 HG12 ILE 2 -0.318 1.153 0.674
10 HG13 ILE 2 HG13 ILE 2 0.508 1.746 -0.770
11 HG21 ILE 2 HG21 ILE 2 2.281 0.423 2.366
12 HG22 ILE 2 HG22 ILE 2 2.542 2.036 3.029
13 HG23 ILE 2 HG23 ILE 2 0.908 1.350 2.999
14 HD11 ILE 2 HD11 ILE 2 2.125 -0.121 -0.630
15 HD12 ILE 2 HD12 ILE 2 1.211 -0.784 0.740
16 HD13 ILE 2 HD13 ILE 2 0.444 -0.648 -0.850
17 H VAL 3 H VAL 3 -0.749 4.254 -0.376
18 HA VAL 3 HA VAL 3 0.644 4.601 -2.816
19 HB VAL 3 HB VAL 3 -1.817 6.069 -1.828
20 HG11 VAL 3 HG11 VAL 3 -0.978 7.396 -3.672
21 HG12 VAL 3 HG12 VAL 3 -0.685 5.946 -4.652
22 HG13 VAL 3 HG13 VAL 3 -2.339 6.451 -4.271
23 HG21 VAL 3 HG21 VAL 3 -1.513 3.352 -2.494
24 HG22 VAL 3 HG22 VAL 3 -3.018 4.273 -2.359
25 HG23 VAL 3 HG23 VAL 3 -2.243 4.067 -3.930
26 H GLU 4 H GLU 4 0.252 6.897 -0.115
27 HA GLU 4 HA GLU 4 1.365 9.163 -1.494
28 HB2 GLU 4 HB2 GLU 4 -0.207 9.068 0.520
29 HB3 GLU 4 HB3 GLU 4 1.212 8.728 1.516
30 HG2 GLU 4 HG2 GLU 4 2.189 10.882 0.943
31 HG3 GLU 4 HG3 GLU 4 0.976 11.159 -0.320
32 H GLN 5 H GLN 5 2.856 6.367 -0.097
33 HA GLN 5 HA GLN 5 5.572 7.598 0.010
34 HB2 GLN 5 HB2 GLN 5 4.914 5.970 1.794
35 HB3 GLN 5 HB3 GLN 5 4.598 4.755 0.553
36 HG2 GLN 5 HG2 GLN 5 7.058 5.031 -0.170
37 HG3 GLN 5 HG3 GLN 5 7.286 5.946 1.321
38 HE21 GLN 5 HE21 GLN 5 8.409 3.271 0.416
39 HE22 GLN 5 HE22 GLN 5 7.870 2.109 1.631
40 H CYS 6 HN CYS 6 3.751 4.957 -1.686
41 HA CYS 6 HA CYS 6 5.745 4.183 -3.492
42 HB2 CYS 6 HB2 CYS 6 2.722 4.272 -3.808
43 HB3 CYS 6 HB3 CYS 6 3.804 3.415 -4.890
44 H CYS 7 HN CYS 7 3.359 6.841 -3.912
45 HA CYS 7 HA CYS 7 4.188 7.449 -6.629
46 HB2 CYS 7 HB2 CYS 7 2.567 8.975 -4.564
47 HB3 CYS 7 HB3 CYS 7 2.836 9.553 -6.199
48 H THR 8 H THR 8 5.405 8.530 -3.499
49 HA THR 8 HA THR 8 6.834 10.856 -4.729
50 HB THR 8 HB THR 8 7.162 11.620 -2.430
51 HG1 THR 8 HG1 THR 8 5.373 9.885 -1.296
52 HG21 THR 8 HG21 THR 8 4.844 12.189 -1.873
53 HG22 THR 8 HG22 THR 8 4.233 10.926 -2.965
54 HG23 THR 8 HG23 THR 8 5.113 12.326 -3.616
55 H SER 9 H SER 9 7.439 7.750 -3.304
56 HA SER 9 HA SER 9 10.372 7.988 -3.716
57 HB2 SER 9 HB2 SER 9 9.755 8.778 -1.405
58 HB3 SER 9 HB3 SER 9 9.118 7.160 -1.076
59 HG SER 9 HG SER 9 11.340 7.497 -0.387
60 H ILE 10 H ILE 10 11.022 5.614 -2.468
61 HA ILE 10 HA ILE 10 9.885 3.565 -4.314
62 HB ILE 10 HB ILE 10 12.273 3.647 -2.437
63 HG12 ILE 10 HG12 ILE 10 11.940 3.190 -5.442
64 HG13 ILE 10 HG13 ILE 10 12.413 4.707 -4.689
65 HG21 ILE 10 HG21 ILE 10 11.389 1.429 -2.087
66 HG22 ILE 10 HG22 ILE 10 11.113 1.208 -3.822
67 HG23 ILE 10 HG23 ILE 10 12.765 1.280 -3.158
68 HD11 ILE 10 HD11 ILE 10 14.468 3.602 -3.781
69 HD12 ILE 10 HD12 ILE 10 14.052 2.154 -4.750
70 HD13 ILE 10 HD13 ILE 10 14.382 3.687 -5.552
71 H CYS 11 HN CYS 11 8.612 1.907 -3.753
72 HA CYS 11 HA CYS 11 8.201 1.265 -0.890
73 HB2 CYS 11 HB2 CYS 11 5.877 1.208 -0.966
74 HB3 CYS 11 HB3 CYS 11 6.320 2.746 -1.681
75 H SER 12 H SER 12 7.255 -0.925 -0.583
76 HA SER 12 HA SER 12 8.658 -2.726 -2.515
77 HB2 SER 12 HB2 SER 12 9.106 -4.177 -0.765
78 HB3 SER 12 HB3 SER 12 9.363 -2.568 -0.084
79 HG SER 12 HG SER 12 8.165 -3.818 1.353
80 H LEU 13 H LEU 13 7.871 -4.890 -2.936
81 HA LEU 13 HA LEU 13 5.041 -4.998 -3.591
82 HB2 LEU 13 HB2 LEU 13 7.111 -7.227 -3.541
83 HB3 LEU 13 HB3 LEU 13 5.548 -7.259 -4.351
84 HG LEU 13 HG LEU 13 7.957 -5.541 -5.079
85 HD11 LEU 13 HD11 LEU 13 6.544 -7.789 -6.567
86 HD12 LEU 13 HD12 LEU 13 8.106 -7.910 -5.726
87 HD13 LEU 13 HD13 LEU 13 7.941 -6.868 -7.153
88 HD21 LEU 13 HD21 LEU 13 5.940 -4.207 -5.533
89 HD22 LEU 13 HD22 LEU 13 5.240 -5.560 -6.452
90 HD23 LEU 13 HD23 LEU 13 6.700 -4.737 -7.032
91 H TYR 14 H TYR 14 6.933 -6.032 -0.803
92 HA TYR 14 HA TYR 14 4.881 -7.653 0.415
93 HB2 TYR 14 HB2 TYR 14 7.243 -7.773 1.056
94 HB3 TYR 14 HB3 TYR 14 7.215 -6.101 1.595
95 HD1 TYR 14 HD2 TYR 14 5.715 -9.475 2.234
96 HD2 TYR 14 HD1 TYR 14 6.548 -5.552 3.824
97 HE1 TYR 14 HE2 TYR 14 4.986 -10.234 4.492
98 HE2 TYR 14 HE1 TYR 14 5.810 -6.301 6.078
99 HH TYR 14 HH TYR 14 4.998 -8.049 7.341
100 H GLN 15 H GLN 15 5.499 -4.147 0.386
101 HA GLN 15 HA GLN 15 3.402 -3.491 2.316
102 HB2 GLN 15 HB2 GLN 15 4.776 -1.835 0.155
103 HB3 GLN 15 HB3 GLN 15 3.526 -1.220 1.220
104 HG2 GLN 15 HG2 GLN 15 4.898 -1.703 3.189
105 HG3 GLN 15 HG3 GLN 15 6.179 -2.354 2.190
106 HE21 GLN 15 HE21 GLN 15 4.745 0.555 3.448
107 HE22 GLN 15 HE22 GLN 15 5.777 1.700 2.610
108 H LEU 16 H LEU 16 3.499 -3.724 -1.301
109 HA LEU 16 HA LEU 16 0.755 -3.066 -1.726
110 HB2 LEU 16 HB2 LEU 16 2.498 -5.017 -3.299
111 HB3 LEU 16 HB3 LEU 16 0.991 -4.318 -3.843
112 HG LEU 16 HG LEU 16 3.648 -2.916 -3.430
113 HD11 LEU 16 HD11 LEU 16 1.851 -3.239 -5.863
114 HD12 LEU 16 HD12 LEU 16 3.333 -4.162 -5.536
115 HD13 LEU 16 HD13 LEU 16 3.430 -2.425 -5.809
116 HD21 LEU 16 HD21 LEU 16 2.582 -0.826 -4.184
117 HD22 LEU 16 HD22 LEU 16 1.963 -1.336 -2.617
118 HD23 LEU 16 HD23 LEU 16 0.981 -1.594 -4.074
119 H GLU 17 H GLU 17 2.197 -6.354 -1.166
120 HA GLU 17 HA GLU 17 -0.227 -7.709 -1.286
121 HB2 GLU 17 HB2 GLU 17 2.331 -8.477 -1.233
122 HB3 GLU 17 HB3 GLU 17 2.016 -8.662 0.507
123 HG2 GLU 17 HG2 GLU 17 0.030 -10.045 -0.078
124 HG3 GLU 17 HG3 GLU 17 0.399 -9.830 -1.792
125 H ASN 18 H ASN 18 0.984 -5.768 1.396
126 HA ASN 18 HA ASN 18 -0.465 -7.005 3.515
127 HB2 ASN 18 HB2 ASN 18 1.412 -5.351 3.723
128 HB3 ASN 18 HB3 ASN 18 0.282 -4.085 3.219
129 HD21 ASN 18 HD21 ASN 18 0.657 -6.701 5.703
130 HD22 ASN 18 HD22 ASN 18 -0.147 -5.792 6.969
131 H TYR 19 H TYR 19 -1.573 -4.995 0.899
132 HA TYR 19 HA TYR 19 -4.253 -4.569 2.129
133 HB2 TYR 19 HB2 TYR 19 -2.911 -3.416 -0.343
134 HB3 TYR 19 HB3 TYR 19 -4.570 -3.094 0.130
135 HD1 TYR 19 HD2 TYR 19 -5.103 -1.850 2.225
136 HD2 TYR 19 HD1 TYR 19 -1.044 -2.381 0.892
137 HE1 TYR 19 HE2 TYR 19 -4.395 0.018 3.687
138 HE2 TYR 19 HE1 TYR 19 -0.315 -0.566 2.416
139 HH TYR 19 HH TYR 19 -2.631 1.296 4.435
140 H CYS 20 HN CYS 20 -2.863 -7.050 0.521
141 HA CYS 20 HA CYS 20 -5.079 -7.775 -1.291
142 HB2 CYS 20 HB2 CYS 20 -2.596 -8.368 -1.558
143 HB3 CYS 20 HB3 CYS 20 -2.823 -9.479 -0.206
144 H ASN 21 H ASN 21 -6.044 -10.018 -0.894
145 HA ASN 21 HA ASN 21 -7.254 -10.161 1.812
146 HB2 ASN 21 HB2 ASN 21 -7.857 -11.435 -0.861
147 HB3 ASN 21 HB3 ASN 21 -8.346 -12.266 0.611
148 HD21 ASN 21 HD21 ASN 21 -8.741 -9.223 -1.180
149 HD22 ASN 21 HD22 ASN 21 -10.265 -8.795 -0.401
150 H1 PHE 1 H1 PHE 1 7.450 -3.597 -10.725
151 H2 PHE 1 H2 PHE 1 8.216 -3.608 -12.177
152 H3 PHE 1 H3 PHE 1 8.502 -2.403 -11.117
153 HA PHE 1 HA PHE 1 9.226 -5.228 -10.766
154 HB2 PHE 1 HB2 PHE 1 10.628 -3.862 -12.370
155 HB3 PHE 1 HB3 PHE 1 11.021 -2.775 -11.042
156 HD1 PHE 1 HD2 PHE 1 11.107 -6.464 -11.889
157 HD2 PHE 1 HD1 PHE 1 13.056 -3.149 -9.912
158 HE1 PHE 1 HE2 PHE 1 13.017 -7.932 -11.292
159 HE2 PHE 1 HE1 PHE 1 14.963 -4.624 -9.336
160 HZ PHE 1 HZ PHE 1 14.946 -7.020 -10.019
161 H VAL 2 H VAL 2 10.766 -5.498 -8.807
162 HA VAL 2 HA VAL 2 9.473 -4.504 -6.418
163 HB VAL 2 HB VAL 2 10.419 -6.743 -6.540
164 HG11 VAL 2 HG11 VAL 2 13.170 -5.443 -6.629
165 HG12 VAL 2 HG12 VAL 2 12.845 -7.170 -6.384
166 HG13 VAL 2 HG13 VAL 2 12.402 -6.395 -7.910
167 HG21 VAL 2 HG21 VAL 2 11.889 -5.188 -4.388
168 HG22 VAL 2 HG22 VAL 2 10.163 -5.621 -4.323
169 HG23 VAL 2 HG23 VAL 2 11.400 -6.891 -4.364
170 H ASN 3 H ASN 3 10.358 -3.204 -4.767
171 HA ASN 3 HA ASN 3 11.073 -1.210 -4.051
172 HB2 ASN 3 HB2 ASN 3 13.505 -0.996 -3.792
173 HB3 ASN 3 HB3 ASN 3 12.838 -2.524 -3.279
174 HD21 ASN 3 HD22 ASN 3 14.458 -1.045 -6.153
175 HD22 ASN 3 HD21 ASN 3 15.416 -2.483 -6.508
176 H GLN 4 H GLN 4 9.749 -0.364 -5.890
177 HA GLN 4 HA GLN 4 11.341 1.469 -7.656
178 HB2 GLN 4 HB2 GLN 4 10.288 -0.706 -8.665
179 HB3 GLN 4 HB3 GLN 4 8.729 0.067 -8.383
180 HG2 GLN 4 HG2 GLN 4 9.753 2.026 -9.843
181 HG3 GLN 4 HG3 GLN 4 10.956 0.835 -10.307
182 HE21 GLN 4 HE21 GLN 4 7.682 1.960 -10.758
183 HE22 GLN 4 HE22 GLN 4 7.247 0.775 -11.991
184 H HIS 5 H HIS 5 10.058 3.363 -8.405
185 HA HIS 5 HA HIS 5 8.085 4.415 -6.475
186 HB2 HIS 5 HB2 HIS 5 9.221 5.436 -9.121
187 HB3 HIS 5 HB3 HIS 5 7.923 6.243 -8.249
188 HD1 HIS 5 HD1 HIS 5 8.815 8.285 -7.030
189 HD2 HIS 5 HD2 HIS 5 11.547 5.085 -7.180
190 HE1 HIS 5 HE1 HIS 5 10.943 9.101 -5.904
191 H LEU 6 H LEU 6 5.882 4.327 -6.849
192 HA LEU 6 HA LEU 6 4.792 3.235 -9.391
193 HB2 LEU 6 HB2 LEU 6 4.409 2.083 -6.596
194 HB3 LEU 6 HB3 LEU 6 3.336 1.711 -7.938
195 HG LEU 6 HG LEU 6 6.314 1.058 -7.946
196 HD11 LEU 6 HD11 LEU 6 5.578 -1.263 -7.465
197 HD12 LEU 6 HD12 LEU 6 3.907 -0.682 -7.269
198 HD13 LEU 6 HD13 LEU 6 5.178 -0.159 -6.140
199 HD21 LEU 6 HD21 LEU 6 3.995 0.100 -9.694
200 HD22 LEU 6 HD22 LEU 6 5.680 -0.463 -9.791
201 HD23 LEU 6 HD23 LEU 6 5.275 1.212 -10.205
202 H CYS 7 HN CYS 7 3.066 4.465 -9.999
203 HA CYS 7 HA CYS 7 1.257 5.500 -7.898
204 HB2 CYS 7 HB2 CYS 7 3.154 7.177 -8.572
205 HB3 CYS 7 HB3 CYS 7 2.226 7.383 -10.057
206 H GLY 8 H GLY 8 -0.818 6.020 -8.571
207 HA2 GLY 8 HA2 GLY 8 -2.782 5.826 -9.776
208 HA3 GLY 8 HA3 GLY 8 -1.788 6.373 -11.131
209 H SER 9 H SER 9 -2.087 5.149 -12.847
210 HA SER 9 HA SER 9 -3.239 2.586 -13.071
211 HB2 SER 9 HB2 SER 9 -2.041 2.614 -15.327
212 HB3 SER 9 HB3 SER 9 -3.127 3.973 -14.991
213 HG SER 9 HG SER 9 -1.095 4.654 -15.874
214 H HIS 10 H HIS 10 0.274 3.415 -12.996
215 HA HIS 10 HA HIS 10 1.106 0.681 -13.305
216 HB2 HIS 10 HB2 HIS 10 2.432 2.802 -13.769
217 HB3 HIS 10 HB3 HIS 10 2.692 2.955 -12.043
218 HD1 HIS 10 HD1 HIS 10 3.107 -0.531 -12.111
219 HD2 HIS 10 HD2 HIS 10 5.159 2.652 -13.923
220 HE1 HIS 10 HE1 HIS 10 5.415 -1.431 -12.710
221 H LEU 11 H LEU 11 0.387 2.583 -10.385
222 HA LEU 11 HA LEU 11 1.318 0.546 -8.522
223 HB2 LEU 11 HB2 LEU 11 1.174 2.926 -7.931
224 HB3 LEU 11 HB3 LEU 11 -0.563 2.925 -8.186
225 HG LEU 11 HG LEU 11 -0.880 1.417 -6.275
226 HD11 LEU 11 HD11 LEU 11 0.979 0.910 -4.734
227 HD12 LEU 11 HD12 LEU 11 2.144 1.617 -5.864
228 HD13 LEU 11 HD13 LEU 11 1.254 0.138 -6.300
229 HD21 LEU 11 HD21 LEU 11 -0.171 3.013 -4.521
230 HD22 LEU 11 HD22 LEU 11 -0.878 3.841 -5.921
231 HD23 LEU 11 HD23 LEU 11 0.885 3.836 -5.681
232 H VAL 12 H VAL 12 -1.875 1.380 -9.882
233 HA VAL 12 HA VAL 12 -3.359 -0.680 -8.533
234 HB VAL 12 HB VAL 12 -3.841 0.800 -11.138
235 HG11 VAL 12 HG11 VAL 12 -5.720 -1.182 -9.774
236 HG12 VAL 12 HG12 VAL 12 -6.191 -0.035 -11.050
237 HG13 VAL 12 HG13 VAL 12 -5.027 -1.313 -11.407
238 HG21 VAL 12 HG21 VAL 12 -5.236 0.926 -8.418
239 HG22 VAL 12 HG22 VAL 12 -4.017 2.085 -8.978
240 HG23 VAL 12 HG23 VAL 12 -5.569 1.961 -9.818
241 H GLU 13 H GLU 13 -1.659 -0.714 -11.730
242 HA GLU 13 HA GLU 13 -2.182 -3.463 -12.307
243 HB2 GLU 13 HB2 GLU 13 0.043 -1.575 -13.133
244 HB3 GLU 13 HB3 GLU 13 -0.035 -3.231 -13.709
245 HG2 GLU 13 HG2 GLU 13 -2.293 -1.219 -14.090
246 HG3 GLU 13 HG3 GLU 13 -1.007 -1.500 -15.263
247 H ALA 14 H ALA 14 0.594 -1.975 -10.485
248 HA ALA 14 HA ALA 14 1.936 -4.445 -9.997
249 HB1 ALA 14 HB1 ALA 14 3.109 -3.191 -8.256
250 HB2 ALA 14 HB2 ALA 14 2.952 -2.214 -9.725
251 HB3 ALA 14 HB3 ALA 14 1.895 -1.892 -8.331
252 H LEU 15 H LEU 15 -0.633 -2.792 -8.088
253 HA LEU 15 HA LEU 15 -0.810 -4.729 -5.985
254 HB2 LEU 15 HB2 LEU 15 -2.781 -2.773 -7.224
255 HB3 LEU 15 HB3 LEU 15 -3.249 -3.839 -5.912
256 HG LEU 15 HG LEU 15 -0.838 -2.027 -5.614
257 HD11 LEU 15 HD11 LEU 15 -3.728 -1.320 -4.946
258 HD12 LEU 15 HD12 LEU 15 -2.748 -0.576 -6.227
259 HD13 LEU 15 HD13 LEU 15 -2.292 -0.357 -4.531
260 HD21 LEU 15 HD21 LEU 15 -1.216 -3.881 -3.947
261 HD22 LEU 15 HD22 LEU 15 -2.804 -3.197 -3.578
262 HD23 LEU 15 HD23 LEU 15 -1.335 -2.270 -3.216
263 H TYR 16 H TYR 16 -2.497 -4.669 -9.181
264 HA TYR 16 HA TYR 16 -3.846 -7.182 -8.781
265 HB2 TYR 16 HB2 TYR 16 -3.094 -5.553 -11.217
266 HB3 TYR 16 HB3 TYR 16 -3.700 -7.189 -11.407
267 HD1 TYR 16 HD1 TYR 16 -5.889 -7.754 -9.934
268 HD2 TYR 16 HD2 TYR 16 -4.738 -3.860 -11.400
269 HE1 TYR 16 HE1 TYR 16 -8.245 -6.983 -9.744
270 HE2 TYR 16 HE2 TYR 16 -7.091 -3.087 -11.197
271 HH TYR 16 HH TYR 16 -9.248 -3.646 -10.598
272 H LEU 17 H LEU 17 -0.612 -6.487 -10.204
273 HA LEU 17 HA LEU 17 -0.042 -9.219 -10.881
274 HB2 LEU 17 HB2 LEU 17 1.700 -6.779 -10.364
275 HB3 LEU 17 HB3 LEU 17 2.377 -8.323 -10.857
276 HG LEU 17 HG LEU 17 0.259 -6.887 -12.520
277 HD11 LEU 17 HD11 LEU 17 2.255 -5.443 -12.277
278 HD12 LEU 17 HD12 LEU 17 2.106 -6.079 -13.922
279 HD13 LEU 17 HD13 LEU 17 3.290 -6.785 -12.802
280 HD21 LEU 17 HD21 LEU 17 1.148 -8.309 -14.340
281 HD22 LEU 17 HD22 LEU 17 0.479 -9.281 -13.035
282 HD23 LEU 17 HD23 LEU 17 2.242 -9.106 -13.196
283 H VAL 18 H VAL 18 0.735 -7.359 -7.929
284 HA VAL 18 HA VAL 18 2.111 -9.547 -6.640
285 HB VAL 18 HB VAL 18 0.907 -6.963 -5.601
286 HG11 VAL 18 HG11 VAL 18 0.764 -8.472 -3.698
287 HG12 VAL 18 HG12 VAL 18 2.423 -9.054 -3.979
288 HG13 VAL 18 HG13 VAL 18 2.117 -7.381 -3.472
289 HG21 VAL 18 HG21 VAL 18 3.776 -7.980 -5.930
290 HG22 VAL 18 HG22 VAL 18 2.977 -6.788 -6.969
291 HG23 VAL 18 HG23 VAL 18 3.314 -6.405 -5.273
292 H CYS 19 HN CYS 19 -1.288 -8.333 -6.302
293 HA CYS 19 HA CYS 19 -1.855 -10.298 -4.232
294 HB2 CYS 19 HB2 CYS 19 -2.722 -7.988 -4.281
295 HB3 CYS 19 HB3 CYS 19 -3.651 -8.366 -5.729
296 H GLY 20 H GLY 20 -2.646 -10.032 -7.710
297 HA2 GLY 20 HA2 GLY 20 -3.353 -11.640 -9.218
298 HA3 GLY 20 HA3 GLY 20 -3.048 -12.865 -7.970
299 H GLU 21 H GLU 21 -4.819 -14.061 -8.343
300 HA GLU 21 HA GLU 21 -7.466 -13.171 -8.794
301 HB2 GLU 21 HB2 GLU 21 -6.454 -15.399 -9.348
302 HB3 GLU 21 HB3 GLU 21 -6.527 -15.839 -7.642
303 HG2 GLU 21 HG2 GLU 21 -8.985 -15.702 -7.693
304 HG3 GLU 21 HG3 GLU 21 -8.942 -15.091 -9.352
305 H ARG 22 H ARG 22 -5.748 -13.443 -5.767
306 HA ARG 22 HA ARG 22 -7.841 -13.848 -3.918
307 HB2 ARG 22 HB2 ARG 22 -5.251 -12.267 -3.699
308 HB3 ARG 22 HB3 ARG 22 -6.283 -12.669 -2.320
309 HG2 ARG 22 HG2 ARG 22 -5.948 -15.056 -2.698
310 HG3 ARG 22 HG3 ARG 22 -4.965 -14.744 -4.136
311 HD2 ARG 22 HD2 ARG 22 -4.255 -13.727 -1.357
312 HD3 ARG 22 HD3 ARG 22 -3.677 -15.267 -2.026
313 HE ARG 22 HE ARG 22 -3.057 -13.272 -3.922
314 HH11 ARG 22 HH21 ARG 22 -2.062 -13.891 -0.554
315 HH12 ARG 22 HH22 ARG 22 -0.471 -13.207 -0.872
316 HH21 ARG 22 HH11 ARG 22 -0.912 -12.515 -4.154
317 HH22 ARG 22 HH12 ARG 22 0.106 -12.476 -2.716
318 H GLY 23 H GLY 23 -6.826 -10.861 -5.539
319 HA2 GLY 23 HA2 GLY 23 -7.932 -8.848 -5.837
320 HA3 GLY 23 HA3 GLY 23 -9.289 -9.439 -4.858
321 H PHE 24 H PHE 24 -7.735 -6.842 -4.924
322 HA PHE 24 HA PHE 24 -7.080 -6.643 -2.018
323 HB2 PHE 24 HB2 PHE 24 -5.639 -4.765 -2.574
324 HB3 PHE 24 HB3 PHE 24 -5.125 -6.225 -3.396
325 HD1 PHE 24 HD1 PHE 24 -5.398 -6.465 -5.863
326 HD2 PHE 24 HD2 PHE 24 -6.419 -2.809 -3.808
327 HE1 PHE 24 HE1 PHE 24 -5.411 -5.242 -8.015
328 HE2 PHE 24 HE2 PHE 24 -6.431 -1.598 -5.971
329 HZ PHE 24 HZ PHE 24 -5.926 -2.819 -8.086
330 H PHE 25 H PHE 25 -7.873 -4.934 -0.850
331 HA PHE 25 HA PHE 25 -10.470 -3.885 -1.825
332 HB2 PHE 25 HB2 PHE 25 -10.882 -3.464 0.553
333 HB3 PHE 25 HB3 PHE 25 -10.451 -5.133 0.242
334 HD1 PHE 25 HD2 PHE 25 -9.236 -1.921 1.695
335 HD2 PHE 25 HD1 PHE 25 -8.456 -6.135 1.207
336 HE1 PHE 25 HE2 PHE 25 -7.448 -1.796 3.414
337 HE2 PHE 25 HE1 PHE 25 -6.670 -6.000 2.921
338 HZ PHE 25 HZ PHE 25 -6.157 -3.837 4.028
339 H TYR 26 H TYR 26 -7.289 -2.701 -1.419
340 HA TYR 26 HA TYR 26 -7.977 -0.027 -0.507
341 HB2 TYR 26 HB2 TYR 26 -6.071 -1.256 0.300
342 HB3 TYR 26 HB3 TYR 26 -5.414 -1.421 -1.317
343 HD1 TYR 26 HD1 TYR 26 -6.691 1.585 0.627
344 HD2 TYR 26 HD2 TYR 26 -3.393 -0.314 -1.411
345 HE1 TYR 26 HE1 TYR 26 -5.286 3.592 1.024
346 HE2 TYR 26 HE2 TYR 26 -1.987 1.681 -0.995
347 HH TYR 26 HH TYR 26 -3.272 4.596 0.667
348 H THR 27 H THR 27 -8.939 1.323 -1.917
349 HA THR 27 HA THR 27 -8.054 1.697 -4.685
350 HB THR 27 HB THR 27 -9.564 3.744 -4.536
351 HG1 THR 27 HG1 THR 27 -9.503 3.964 -2.258
352 HG21 THR 27 HG21 THR 27 -11.631 2.425 -4.562
353 HG22 THR 27 HG22 THR 27 -10.796 1.048 -3.823
354 HG23 THR 27 HG23 THR 27 -10.351 1.595 -5.461
355 HA PRO 28 HA PRO 28 -4.672 4.199 -3.667
356 HB2 PRO 28 HB2 PRO 28 -4.210 5.703 -5.915
357 HB3 PRO 28 HB3 PRO 28 -4.001 3.929 -5.864
358 HG2 PRO 28 HG2 PRO 28 -6.426 5.492 -6.816
359 HG3 PRO 28 HG3 PRO 28 -5.568 4.166 -7.662
360 HD2 PRO 28 HD2 PRO 28 -7.810 3.692 -6.203
361 HD3 PRO 28 HD3 PRO 28 -6.443 2.534 -6.188
362 H LYS 29 H LYS 29 -3.962 6.218 -2.867
363 HA LYS 29 HA LYS 29 -5.870 8.194 -2.076
364 HB2 LYS 29 HB2 LYS 29 -3.733 7.682 -0.920
365 HB3 LYS 29 HB3 LYS 29 -2.830 8.274 -2.309
366 HG2 LYS 29 HG2 LYS 29 -2.772 9.893 -0.534
367 HG3 LYS 29 HG3 LYS 29 -3.636 10.557 -1.911
368 HD2 LYS 29 HD2 LYS 29 -5.802 10.079 -0.782
369 HD3 LYS 29 HD3 LYS 29 -4.947 9.406 0.608
370 HE2 LYS 29 HE2 LYS 29 -4.568 12.265 -0.403
371 HE3 LYS 29 HE3 LYS 29 -5.773 11.810 0.811
372 HZ1 LYS 29 HZ1 LYS 29 -3.944 11.010 2.221
373 HZ2 LYS 29 HZ2 LYS 29 -3.777 12.594 1.876
374 HZ3 LYS 29 HZ3 LYS 29 -2.821 11.513 1.130
375 H THR 30 H THR 30 -3.935 7.864 -4.974
376 HA THR 30 HA THR 30 -4.594 10.522 -6.086
377 HB THR 30 HB THR 30 -3.054 9.694 -7.939
378 HG1 THR 30 HG1 THR 30 -1.791 7.873 -7.325
379 HG21 THR 30 HG21 THR 30 -1.850 9.662 -5.126
380 HG22 THR 30 HG22 THR 30 -2.252 11.122 -6.049
381 HG23 THR 30 HG23 THR 30 -1.012 10.017 -6.648
382 H LYS 31 H LYS 31 -6.842 8.948 -5.648
383 HA LYS 31 HA LYS 31 -7.709 7.320 -7.751
384 HB2 LYS 31 HB2 LYS 31 -8.667 7.640 -5.419
385 HB3 LYS 31 HB3 LYS 31 -9.458 9.106 -6.007
386 HG2 LYS 31 HG2 LYS 31 -10.737 7.761 -7.646
387 HG3 LYS 31 HG3 LYS 31 -9.856 6.296 -7.143
388 HD2 LYS 31 HD2 LYS 31 -10.782 6.541 -4.839
389 HD3 LYS 31 HD3 LYS 31 -11.651 8.001 -5.346
390 HE2 LYS 31 HE2 LYS 31 -12.898 6.668 -7.039
391 HE3 LYS 31 HE3 LYS 31 -12.024 5.214 -6.543
392 HZ1 LYS 31 HZ1 LYS 31 -14.188 5.340 -5.465
393 HZ2 LYS 31 HZ2 LYS 31 -13.833 6.784 -4.789
394 HZ3 LYS 31 HZ3 LYS 31 -13.015 5.441 -4.329
395 H ARG 32 H ARG 32 -8.932 7.573 -9.566
396 HA ARG 32 HA ARG 32 -8.591 9.882 -11.218
397 HB2 ARG 32 HB2 ARG 32 -8.795 7.519 -11.997
398 HB3 ARG 32 HB3 ARG 32 -10.505 7.531 -11.544
399 HG2 ARG 32 HG2 ARG 32 -10.942 9.331 -13.187
400 HG3 ARG 32 HG3 ARG 32 -9.215 9.354 -13.620
401 HD2 ARG 32 HD2 ARG 32 -9.369 7.007 -14.349
402 HD3 ARG 32 HD3 ARG 32 -11.099 6.980 -13.923
403 HE ARG 32 HE ARG 32 -10.611 9.138 -15.713
404 HH11 ARG 32 HH12 ARG 32 -10.712 5.634 -15.829
405 HH12 ARG 32 HH11 ARG 32 -11.142 5.616 -17.519
406 HH21 ARG 32 HH22 ARG 32 -11.139 9.032 -17.868
407 HH22 ARG 32 HH21 ARG 32 -11.356 7.486 -18.638
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 -2.344 6.383 3.198
2 H2 GLY 1 2H GLY 1 -1.339 6.668 1.927
3 H3 GLY 1 3H GLY 1 -0.793 5.854 3.238
4 HA2 GLY 1 HA2 GLY 1 -2.275 4.007 2.805
5 HA3 GLY 1 HA3 GLY 1 -2.866 4.890 1.381
6 H ILE 2 H ILE 2 -2.150 3.391 -0.192
7 HA ILE 2 HA ILE 2 0.779 2.907 -0.325
8 HB ILE 2 HB ILE 2 -0.769 1.002 -0.402
9 HG12 ILE 2 HG12 ILE 2 0.277 -0.229 -2.245
10 HG13 ILE 2 HG13 ILE 2 0.959 1.257 -2.884
11 HG21 ILE 2 HG21 ILE 2 -1.608 2.056 -3.120
12 HG22 ILE 2 HG22 ILE 2 -1.954 0.431 -2.480
13 HG23 ILE 2 HG23 ILE 2 -2.612 1.836 -1.665
14 HD11 ILE 2 HD11 ILE 2 2.377 1.504 -0.906
15 HD12 ILE 2 HD12 ILE 2 1.536 0.165 -0.087
16 HD13 ILE 2 HD13 ILE 2 2.546 -0.148 -1.508
17 H VAL 3 H VAL 3 -1.619 4.862 -2.040
18 HA VAL 3 HA VAL 3 -0.188 4.889 -4.493
19 HB VAL 3 HB VAL 3 -2.579 5.567 -4.243
20 HG11 VAL 3 HG11 VAL 3 -1.549 8.373 -3.665
21 HG12 VAL 3 HG12 VAL 3 -3.220 7.834 -3.833
22 HG13 VAL 3 HG13 VAL 3 -2.272 7.322 -2.428
23 HG21 VAL 3 HG21 VAL 3 -0.809 7.438 -5.866
24 HG22 VAL 3 HG22 VAL 3 -1.312 5.806 -6.345
25 HG23 VAL 3 HG23 VAL 3 -2.521 7.085 -6.157
26 H GLU 4 H GLU 4 0.046 7.162 -1.721
27 HA GLU 4 HA GLU 4 2.090 8.779 -3.075
28 HB2 GLU 4 HB2 GLU 4 2.219 10.040 -1.105
29 HB3 GLU 4 HB3 GLU 4 0.522 9.771 -1.443
30 HG2 GLU 4 HG2 GLU 4 2.108 8.212 0.657
31 HG3 GLU 4 HG3 GLU 4 1.251 9.709 0.979
32 H GLN 5 H GLN 5 1.973 6.043 -0.856
33 HA GLN 5 HA GLN 5 4.707 6.053 -0.033
34 HB2 GLN 5 HB2 GLN 5 2.722 4.902 1.019
35 HB3 GLN 5 HB3 GLN 5 2.796 3.702 -0.278
36 HG2 GLN 5 HG2 GLN 5 5.120 3.121 0.459
37 HG3 GLN 5 HG3 GLN 5 4.953 4.280 1.787
38 HE21 GLN 5 HE21 GLN 5 1.930 3.293 2.122
39 HE22 GLN 5 HE22 GLN 5 2.211 1.784 2.981
40 H CYS 6 HN CYS 6 3.135 4.655 -2.906
41 HA CYS 6 HA CYS 6 5.747 3.630 -3.911
42 HB2 CYS 6 HB2 CYS 6 2.855 3.387 -4.812
43 HB3 CYS 6 HB3 CYS 6 4.218 2.815 -5.760
44 H CYS 7 HN CYS 7 3.528 6.346 -4.594
45 HA CYS 7 HA CYS 7 4.889 6.855 -7.188
46 HB2 CYS 7 HB2 CYS 7 2.408 6.901 -6.873
47 HB3 CYS 7 HB3 CYS 7 2.592 8.375 -5.918
48 H THR 8 H THR 8 4.448 8.561 -4.056
49 HA THR 8 HA THR 8 6.282 10.744 -4.849
50 HB THR 8 HB THR 8 4.932 10.253 -2.162
51 HG1 THR 8 HG1 THR 8 3.434 11.819 -3.020
52 HG21 THR 8 HG21 THR 8 5.247 12.702 -1.907
53 HG22 THR 8 HG22 THR 8 6.128 12.752 -3.449
54 HG23 THR 8 HG23 THR 8 6.794 11.863 -2.066
55 H SER 9 H SER 9 6.123 8.069 -2.500
56 HA SER 9 HA SER 9 9.110 8.136 -2.186
57 HB2 SER 9 HB2 SER 9 6.931 6.773 -0.552
58 HB3 SER 9 HB3 SER 9 8.668 6.572 -0.282
59 HG SER 9 HG SER 9 7.783 8.192 1.091
60 H ILE 10 H ILE 10 9.965 5.753 -1.819
61 HA ILE 10 HA ILE 10 9.334 4.246 -4.311
62 HB ILE 10 HB ILE 10 11.718 3.840 -2.473
63 HG12 ILE 10 HG12 ILE 10 11.517 5.796 -4.787
64 HG13 ILE 10 HG13 ILE 10 11.838 6.199 -3.100
65 HG21 ILE 10 HG21 ILE 10 11.116 2.103 -4.238
66 HG22 ILE 10 HG22 ILE 10 11.410 3.354 -5.466
67 HG23 ILE 10 HG23 ILE 10 12.724 2.787 -4.419
68 HD11 ILE 10 HD11 ILE 10 13.894 6.365 -4.265
69 HD12 ILE 10 HD12 ILE 10 13.989 4.897 -3.267
70 HD13 ILE 10 HD13 ILE 10 13.698 4.777 -5.027
71 H CYS 11 HN CYS 11 8.738 2.020 -4.228
72 HA CYS 11 HA CYS 11 8.395 0.831 -1.522
73 HB2 CYS 11 HB2 CYS 11 6.119 0.350 -1.825
74 HB3 CYS 11 HB3 CYS 11 6.318 2.043 -2.265
75 H SER 12 H SER 12 8.047 -1.339 -1.376
76 HA SER 12 HA SER 12 9.147 -3.073 -3.552
77 HB2 SER 12 HB2 SER 12 10.330 -3.157 -1.432
78 HB3 SER 12 HB3 SER 12 8.815 -3.444 -0.549
79 HG SER 12 HG SER 12 10.143 -5.361 -1.019
80 H LEU 13 H LEU 13 8.138 -5.197 -3.822
81 HA LEU 13 HA LEU 13 5.277 -5.200 -4.135
82 HB2 LEU 13 HB2 LEU 13 7.213 -7.544 -3.960
83 HB3 LEU 13 HB3 LEU 13 5.591 -7.583 -4.636
84 HG LEU 13 HG LEU 13 8.025 -6.154 -5.778
85 HD11 LEU 13 HD11 LEU 13 7.934 -8.626 -6.073
86 HD12 LEU 13 HD12 LEU 13 7.793 -7.759 -7.614
87 HD13 LEU 13 HD13 LEU 13 6.353 -8.473 -6.866
88 HD21 LEU 13 HD21 LEU 13 5.194 -6.158 -6.895
89 HD22 LEU 13 HD22 LEU 13 6.640 -5.561 -7.729
90 HD23 LEU 13 HD23 LEU 13 6.082 -4.743 -6.269
91 H TYR 14 H TYR 14 7.371 -6.046 -1.433
92 HA TYR 14 HA TYR 14 5.483 -7.454 0.193
93 HB2 TYR 14 HB2 TYR 14 7.898 -7.388 0.604
94 HB3 TYR 14 HB3 TYR 14 7.835 -5.655 0.896
95 HD1 TYR 14 HD2 TYR 14 6.500 -8.934 2.177
96 HD2 TYR 14 HD1 TYR 14 7.473 -4.831 3.095
97 HE1 TYR 14 HE2 TYR 14 6.060 -9.366 4.586
98 HE2 TYR 14 HE1 TYR 14 7.054 -5.262 5.499
99 HH TYR 14 HH TYR 14 6.439 -6.811 7.085
100 H GLN 15 H GLN 15 5.861 -4.001 -0.454
101 HA GLN 15 HA GLN 15 4.026 -3.165 1.722
102 HB2 GLN 15 HB2 GLN 15 5.416 -1.660 -0.528
103 HB3 GLN 15 HB3 GLN 15 4.335 -0.900 0.634
104 HG2 GLN 15 HG2 GLN 15 5.800 -1.307 2.473
105 HG3 GLN 15 HG3 GLN 15 6.736 -2.509 1.591
106 HE21 GLN 15 HE21 GLN 15 6.120 1.027 1.790
107 HE22 GLN 15 HE22 GLN 15 7.638 1.441 0.984
108 H LEU 16 H LEU 16 3.922 -3.717 -1.810
109 HA LEU 16 HA LEU 16 1.173 -2.925 -2.197
110 HB2 LEU 16 HB2 LEU 16 2.756 -5.133 -3.600
111 HB3 LEU 16 HB3 LEU 16 1.257 -4.431 -4.157
112 HG LEU 16 HG LEU 16 3.968 -3.058 -3.996
113 HD11 LEU 16 HD11 LEU 16 2.156 -3.720 -6.353
114 HD12 LEU 16 HD12 LEU 16 3.604 -4.630 -5.886
115 HD13 LEU 16 HD13 LEU 16 3.759 -2.957 -6.427
116 HD21 LEU 16 HD21 LEU 16 2.304 -1.367 -3.441
117 HD22 LEU 16 HD22 LEU 16 1.282 -1.876 -4.799
118 HD23 LEU 16 HD23 LEU 16 2.863 -1.126 -5.100
119 H GLU 17 H GLU 17 2.582 -6.115 -1.304
120 HA GLU 17 HA GLU 17 0.341 -7.645 -1.173
121 HB2 GLU 17 HB2 GLU 17 2.921 -8.081 -0.759
122 HB3 GLU 17 HB3 GLU 17 2.472 -7.901 0.946
123 HG2 GLU 17 HG2 GLU 17 0.686 -9.630 0.538
124 HG3 GLU 17 HG3 GLU 17 1.323 -9.826 -1.100
125 H ASN 18 H ASN 18 1.244 -5.182 1.206
126 HA ASN 18 HA ASN 18 -0.361 -6.063 3.389
127 HB2 ASN 18 HB2 ASN 18 1.497 -4.401 3.480
128 HB3 ASN 18 HB3 ASN 18 0.468 -3.245 2.633
129 HD21 ASN 18 HD21 ASN 18 0.517 -5.327 5.599
130 HD22 ASN 18 HD22 ASN 18 -0.369 -4.174 6.579
131 H TYR 19 H TYR 19 -1.310 -4.584 0.389
132 HA TYR 19 HA TYR 19 -4.005 -3.818 1.415
133 HB2 TYR 19 HB2 TYR 19 -2.456 -3.046 -1.086
134 HB3 TYR 19 HB3 TYR 19 -4.129 -2.592 -0.787
135 HD1 TYR 19 HD2 TYR 19 -0.655 -2.205 0.541
136 HD2 TYR 19 HD1 TYR 19 -4.733 -0.821 0.699
137 HE1 TYR 19 HE2 TYR 19 0.036 -0.353 2.051
138 HE2 TYR 19 HE1 TYR 19 -4.034 1.082 2.141
139 HH TYR 19 HH TYR 19 -0.648 1.495 3.251
140 H CYS 20 HN CYS 20 -2.645 -6.541 0.072
141 HA CYS 20 HA CYS 20 -4.699 -7.302 -1.827
142 HB2 CYS 20 HB2 CYS 20 -2.701 -8.957 -0.234
143 HB3 CYS 20 HB3 CYS 20 -3.712 -9.570 -1.538
144 H ASN 21 H ASN 21 -6.354 -8.749 -1.618
145 HA ASN 21 HA ASN 21 -7.678 -9.076 1.010
146 HB2 ASN 21 HB2 ASN 21 -8.406 -9.850 -1.856
147 HB3 ASN 21 HB3 ASN 21 -9.391 -10.269 -0.462
148 HD21 ASN 21 HD21 ASN 21 -10.133 -8.412 0.939
149 HD22 ASN 21 HD22 ASN 21 -10.558 -6.931 0.089
150 H1 PHE 1 H1 PHE 1 17.610 -5.223 -4.028
151 H2 PHE 1 H2 PHE 1 17.630 -6.217 -5.319
152 H3 PHE 1 H3 PHE 1 18.101 -6.789 -3.858
153 HA PHE 1 HA PHE 1 15.911 -7.582 -4.432
154 HB2 PHE 1 HB2 PHE 1 14.755 -7.020 -2.376
155 HB3 PHE 1 HB3 PHE 1 16.441 -7.334 -2.055
156 HD1 PHE 1 HD2 PHE 1 17.982 -5.509 -1.341
157 HD2 PHE 1 HD1 PHE 1 13.773 -4.799 -2.006
158 HE1 PHE 1 HE2 PHE 1 18.145 -3.344 -0.127
159 HE2 PHE 1 HE1 PHE 1 13.945 -2.645 -0.772
160 HZ PHE 1 HZ PHE 1 16.127 -1.916 0.154
161 H VAL 2 H VAL 2 13.565 -7.018 -4.610
162 HA VAL 2 HA VAL 2 13.251 -4.958 -6.620
163 HB VAL 2 HB VAL 2 12.059 -7.030 -6.796
164 HG11 VAL 2 HG11 VAL 2 11.489 -7.446 -4.393
165 HG12 VAL 2 HG12 VAL 2 10.233 -6.189 -4.513
166 HG13 VAL 2 HG13 VAL 2 10.129 -7.653 -5.503
167 HG21 VAL 2 HG21 VAL 2 9.925 -6.135 -7.542
168 HG22 VAL 2 HG22 VAL 2 10.126 -4.682 -6.539
169 HG23 VAL 2 HG23 VAL 2 11.215 -4.989 -7.920
170 H ASN 3 H ASN 3 12.872 -2.903 -6.385
171 HA ASN 3 HA ASN 3 11.091 -1.713 -4.454
172 HB2 ASN 3 HB2 ASN 3 13.061 -2.189 -2.991
173 HB3 ASN 3 HB3 ASN 3 14.082 -1.277 -4.088
174 HD21 ASN 3 HD21 ASN 3 14.620 0.596 -2.973
175 HD22 ASN 3 HD22 ASN 3 13.462 1.581 -2.107
176 H GLN 4 H GLN 4 10.199 -0.042 -5.616
177 HA GLN 4 HA GLN 4 11.738 1.734 -7.347
178 HB2 GLN 4 HB2 GLN 4 10.477 -0.723 -8.426
179 HB3 GLN 4 HB3 GLN 4 9.832 0.704 -9.181
180 HG2 GLN 4 HG2 GLN 4 12.801 0.035 -9.046
181 HG3 GLN 4 HG3 GLN 4 11.735 -0.266 -10.410
182 HE21 GLN 4 HE21 GLN 4 13.756 1.139 -11.259
183 HE22 GLN 4 HE22 GLN 4 13.403 2.856 -11.339
184 H HIS 5 H HIS 5 10.145 3.145 -8.663
185 HA HIS 5 HA HIS 5 7.897 3.963 -6.915
186 HB2 HIS 5 HB2 HIS 5 9.143 5.150 -9.413
187 HB3 HIS 5 HB3 HIS 5 7.631 5.734 -8.742
188 HD1 HIS 5 HD1 HIS 5 7.869 6.595 -6.015
189 HD2 HIS 5 HD2 HIS 5 11.281 6.317 -8.449
190 HE1 HIS 5 HE1 HIS 5 9.560 8.237 -5.062
191 H LEU 6 H LEU 6 5.781 3.772 -7.478
192 HA LEU 6 HA LEU 6 4.901 2.733 -10.115
193 HB2 LEU 6 HB2 LEU 6 4.273 1.444 -7.421
194 HB3 LEU 6 HB3 LEU 6 3.308 1.176 -8.865
195 HG LEU 6 HG LEU 6 6.273 0.499 -8.705
196 HD11 LEU 6 HD11 LEU 6 3.838 -1.233 -8.151
197 HD12 LEU 6 HD12 LEU 6 5.107 -0.778 -6.996
198 HD13 LEU 6 HD13 LEU 6 5.496 -1.849 -8.348
199 HD21 LEU 6 HD21 LEU 6 5.732 -0.970 -10.634
200 HD22 LEU 6 HD22 LEU 6 5.391 0.723 -11.013
201 HD23 LEU 6 HD23 LEU 6 4.056 -0.384 -10.620
202 H CYS 7 HN CYS 7 2.970 3.632 -10.733
203 HA CYS 7 HA CYS 7 1.313 5.097 -8.772
204 HB2 CYS 7 HB2 CYS 7 3.367 6.463 -9.674
205 HB3 CYS 7 HB3 CYS 7 2.417 6.610 -11.144
206 H GLY 8 H GLY 8 -0.772 5.621 -9.508
207 HA2 GLY 8 HA2 GLY 8 -2.740 5.338 -10.702
208 HA3 GLY 8 HA3 GLY 8 -1.728 5.691 -12.109
209 H SER 9 H SER 9 -2.392 4.316 -13.640
210 HA SER 9 HA SER 9 -3.418 1.737 -13.427
211 HB2 SER 9 HB2 SER 9 -1.663 2.803 -15.671
212 HB3 SER 9 HB3 SER 9 -2.871 1.506 -15.779
213 HG SER 9 HG SER 9 -3.707 3.530 -16.525
214 H HIS 10 H HIS 10 0.078 2.633 -13.519
215 HA HIS 10 HA HIS 10 1.006 -0.081 -13.831
216 HB2 HIS 10 HB2 HIS 10 2.441 2.331 -12.642
217 HB3 HIS 10 HB3 HIS 10 3.174 0.875 -13.288
218 HD1 HIS 10 HD1 HIS 10 2.794 0.570 -16.102
219 HD2 HIS 10 HD2 HIS 10 2.061 4.302 -14.305
220 HE1 HIS 10 HE1 HIS 10 2.743 2.271 -17.990
221 H LEU 11 H LEU 11 0.348 1.972 -10.986
222 HA LEU 11 HA LEU 11 1.249 0.046 -9.011
223 HB2 LEU 11 HB2 LEU 11 1.028 2.467 -8.546
224 HB3 LEU 11 HB3 LEU 11 -0.706 2.383 -8.824
225 HG LEU 11 HG LEU 11 -0.973 0.923 -6.844
226 HD11 LEU 11 HD11 LEU 11 2.020 1.354 -6.477
227 HD12 LEU 11 HD12 LEU 11 1.201 -0.201 -6.772
228 HD13 LEU 11 HD13 LEU 11 0.921 0.671 -5.260
229 HD21 LEU 11 HD21 LEU 11 -0.477 2.664 -5.167
230 HD22 LEU 11 HD22 LEU 11 -1.178 3.366 -6.633
231 HD23 LEU 11 HD23 LEU 11 0.570 3.501 -6.331
232 H VAL 12 H VAL 12 -1.942 0.803 -10.406
233 HA VAL 12 HA VAL 12 -3.450 -1.144 -8.971
234 HB VAL 12 HB VAL 12 -3.882 0.147 -11.678
235 HG11 VAL 12 HG11 VAL 12 -6.251 -0.641 -11.554
236 HG12 VAL 12 HG12 VAL 12 -5.116 -1.965 -11.801
237 HG13 VAL 12 HG13 VAL 12 -5.811 -1.686 -10.188
238 HG21 VAL 12 HG21 VAL 12 -5.599 1.427 -10.472
239 HG22 VAL 12 HG22 VAL 12 -5.258 0.523 -8.977
240 HG23 VAL 12 HG23 VAL 12 -4.040 1.613 -9.660
241 H GLU 13 H GLU 13 -1.771 -1.475 -12.163
242 HA GLU 13 HA GLU 13 -2.393 -4.258 -12.500
243 HB2 GLU 13 HB2 GLU 13 -0.189 -2.465 -13.575
244 HB3 GLU 13 HB3 GLU 13 -0.299 -4.169 -14.004
245 HG2 GLU 13 HG2 GLU 13 -2.578 -2.198 -14.458
246 HG3 GLU 13 HG3 GLU 13 -1.351 -2.570 -15.652
247 H ALA 14 H ALA 14 0.471 -2.674 -10.921
248 HA ALA 14 HA ALA 14 1.832 -5.118 -10.337
249 HB1 ALA 14 HB1 ALA 14 1.889 -2.441 -8.872
250 HB2 ALA 14 HB2 ALA 14 3.114 -3.728 -8.780
251 HB3 ALA 14 HB3 ALA 14 2.863 -2.868 -10.301
252 H LEU 15 H LEU 15 -0.619 -3.297 -8.434
253 HA LEU 15 HA LEU 15 -0.672 -5.058 -6.169
254 HB2 LEU 15 HB2 LEU 15 -2.750 -3.239 -7.447
255 HB3 LEU 15 HB3 LEU 15 -3.098 -4.200 -6.019
256 HG LEU 15 HG LEU 15 -0.731 -2.305 -6.045
257 HD11 LEU 15 HD11 LEU 15 -2.181 -0.596 -5.006
258 HD12 LEU 15 HD12 LEU 15 -3.604 -1.628 -5.276
259 HD13 LEU 15 HD13 LEU 15 -2.716 -0.960 -6.657
260 HD21 LEU 15 HD21 LEU 15 -1.041 -2.355 -3.617
261 HD22 LEU 15 HD22 LEU 15 -0.947 -4.024 -4.210
262 HD23 LEU 15 HD23 LEU 15 -2.518 -3.328 -3.785
263 H TYR 16 H TYR 16 -2.640 -5.195 -9.229
264 HA TYR 16 HA TYR 16 -3.906 -7.673 -8.513
265 HB2 TYR 16 HB2 TYR 16 -3.384 -6.342 -11.189
266 HB3 TYR 16 HB3 TYR 16 -4.222 -7.872 -11.044
267 HD1 TYR 16 HD1 TYR 16 -6.082 -7.724 -8.904
268 HD2 TYR 16 HD2 TYR 16 -4.948 -4.651 -11.708
269 HE1 TYR 16 HE1 TYR 16 -8.277 -6.637 -8.580
270 HE2 TYR 16 HE2 TYR 16 -7.168 -3.571 -11.416
271 HH TYR 16 HH TYR 16 -9.654 -4.888 -9.185
272 H LEU 17 H LEU 17 -0.760 -7.107 -10.129
273 HA LEU 17 HA LEU 17 -0.262 -9.906 -10.645
274 HB2 LEU 17 HB2 LEU 17 1.536 -7.467 -10.371
275 HB3 LEU 17 HB3 LEU 17 2.174 -9.066 -10.735
276 HG LEU 17 HG LEU 17 0.061 -7.729 -12.482
277 HD11 LEU 17 HD11 LEU 17 2.099 -6.330 -12.433
278 HD12 LEU 17 HD12 LEU 17 1.912 -7.135 -13.997
279 HD13 LEU 17 HD13 LEU 17 3.093 -7.753 -12.820
280 HD21 LEU 17 HD21 LEU 17 0.876 -9.353 -14.180
281 HD22 LEU 17 HD22 LEU 17 0.195 -10.175 -12.771
282 HD23 LEU 17 HD23 LEU 17 1.952 -10.075 -12.969
283 H VAL 18 H VAL 18 0.594 -7.834 -7.842
284 HA VAL 18 HA VAL 18 1.965 -9.967 -6.449
285 HB VAL 18 HB VAL 18 0.833 -7.315 -5.494
286 HG11 VAL 18 HG11 VAL 18 2.139 -7.655 -3.395
287 HG12 VAL 18 HG12 VAL 18 0.787 -8.768 -3.508
288 HG13 VAL 18 HG13 VAL 18 2.431 -9.342 -3.859
289 HG21 VAL 18 HG21 VAL 18 3.262 -6.782 -5.300
290 HG22 VAL 18 HG22 VAL 18 3.668 -8.396 -5.899
291 HG23 VAL 18 HG23 VAL 18 2.843 -7.244 -6.960
292 H CYS 19 HN CYS 19 -1.427 -8.744 -6.177
293 HA CYS 19 HA CYS 19 -2.085 -10.645 -4.074
294 HB2 CYS 19 HB2 CYS 19 -3.951 -8.975 -5.793
295 HB3 CYS 19 HB3 CYS 19 -4.286 -9.695 -4.220
296 H GLY 20 H GLY 20 -2.134 -10.872 -7.536
297 HA2 GLY 20 HA2 GLY 20 -2.784 -12.581 -8.965
298 HA3 GLY 20 HA3 GLY 20 -3.119 -13.601 -7.557
299 H GLU 21 H GLU 21 -5.021 -14.397 -8.300
300 HA GLU 21 HA GLU 21 -7.188 -12.831 -9.366
301 HB2 GLU 21 HB2 GLU 21 -8.487 -14.886 -9.185
302 HB3 GLU 21 HB3 GLU 21 -6.942 -15.144 -9.976
303 HG2 GLU 21 HG2 GLU 21 -7.179 -15.736 -7.011
304 HG3 GLU 21 HG3 GLU 21 -7.911 -16.829 -8.171
305 H ARG 22 H ARG 22 -6.182 -13.275 -6.098
306 HA ARG 22 HA ARG 22 -8.736 -13.020 -4.780
307 HB2 ARG 22 HB2 ARG 22 -5.950 -12.286 -3.793
308 HB3 ARG 22 HB3 ARG 22 -7.406 -12.406 -2.803
309 HG2 ARG 22 HG2 ARG 22 -7.608 -14.821 -3.381
310 HG3 ARG 22 HG3 ARG 22 -6.133 -14.711 -4.358
311 HD2 ARG 22 HD2 ARG 22 -5.538 -15.645 -2.212
312 HD3 ARG 22 HD3 ARG 22 -4.849 -14.033 -2.344
313 HE ARG 22 HE ARG 22 -6.279 -13.218 -0.698
314 HH11 ARG 22 HH22 ARG 22 -7.204 -16.582 -1.350
315 HH12 ARG 22 HH21 ARG 22 -8.261 -16.646 0.030
316 HH21 ARG 22 HH11 ARG 22 -7.639 -13.350 1.016
317 HH22 ARG 22 HH12 ARG 22 -8.477 -14.842 1.385
318 H GLY 23 H GLY 23 -6.502 -10.671 -6.147
319 HA2 GLY 23 HA2 GLY 23 -6.768 -8.417 -6.649
320 HA3 GLY 23 HA3 GLY 23 -8.421 -8.492 -6.009
321 H PHE 24 H PHE 24 -7.505 -6.257 -5.477
322 HA PHE 24 HA PHE 24 -6.481 -6.253 -2.677
323 HB2 PHE 24 HB2 PHE 24 -5.234 -4.262 -3.130
324 HB3 PHE 24 HB3 PHE 24 -4.769 -5.444 -4.327
325 HD1 PHE 24 HD1 PHE 24 -5.393 -5.153 -6.717
326 HD2 PHE 24 HD2 PHE 24 -6.453 -2.228 -3.727
327 HE1 PHE 24 HE1 PHE 24 -5.829 -3.484 -8.496
328 HE2 PHE 24 HE2 PHE 24 -6.940 -0.577 -5.518
329 HZ PHE 24 HZ PHE 24 -6.631 -1.200 -7.902
330 H PHE 25 H PHE 25 -7.115 -4.399 -1.409
331 HA PHE 25 HA PHE 25 -9.596 -2.991 -2.317
332 HB2 PHE 25 HB2 PHE 25 -10.216 -4.797 -0.769
333 HB3 PHE 25 HB3 PHE 25 -9.091 -4.177 0.433
334 HD1 PHE 25 HD1 PHE 25 -12.230 -3.453 -1.450
335 HD2 PHE 25 HD2 PHE 25 -9.682 -2.265 1.824
336 HE1 PHE 25 HE1 PHE 25 -14.006 -1.928 -0.619
337 HE2 PHE 25 HE2 PHE 25 -11.464 -0.732 2.648
338 HZ PHE 25 HZ PHE 25 -13.625 -0.562 1.425
339 H TYR 26 H TYR 26 -9.129 -0.939 -2.517
340 HA TYR 26 HA TYR 26 -7.888 0.681 -0.486
341 HB2 TYR 26 HB2 TYR 26 -5.845 -0.405 -1.363
342 HB3 TYR 26 HB3 TYR 26 -6.297 0.031 -3.000
343 HD1 TYR 26 HD1 TYR 26 -5.897 1.777 0.333
344 HD2 TYR 26 HD2 TYR 26 -5.135 1.821 -3.917
345 HE1 TYR 26 HE1 TYR 26 -4.780 3.980 0.563
346 HE2 TYR 26 HE2 TYR 26 -3.945 3.978 -3.679
347 HH TYR 26 HH TYR 26 -3.703 5.722 -0.554
348 H THR 27 H THR 27 -7.955 2.921 -0.951
349 HA THR 27 HA THR 27 -9.247 3.842 -3.484
350 HB THR 27 HB THR 27 -10.323 5.642 -2.076
351 HG1 THR 27 HG1 THR 27 -9.068 5.146 -0.196
352 HG21 THR 27 HG21 THR 27 -12.229 4.243 -1.441
353 HG22 THR 27 HG22 THR 27 -11.246 2.778 -1.579
354 HG23 THR 27 HG23 THR 27 -11.611 3.746 -3.026
355 HA PRO 28 HA PRO 28 -5.307 6.162 -3.342
356 HB2 PRO 28 HB2 PRO 28 -6.530 7.034 -5.965
357 HB3 PRO 28 HB3 PRO 28 -4.817 6.654 -5.597
358 HG2 PRO 28 HG2 PRO 28 -6.379 4.852 -6.876
359 HG3 PRO 28 HG3 PRO 28 -5.287 4.307 -5.565
360 HD2 PRO 28 HD2 PRO 28 -8.260 4.845 -5.434
361 HD3 PRO 28 HD3 PRO 28 -7.323 3.496 -4.725
362 H LYS 29 H LYS 29 -4.892 8.290 -2.738
363 HA LYS 29 HA LYS 29 -7.067 9.802 -1.740
364 HB2 LYS 29 HB2 LYS 29 -5.451 11.366 -0.972
365 HB3 LYS 29 HB3 LYS 29 -4.780 9.749 -0.793
366 HG2 LYS 29 HG2 LYS 29 -3.377 10.091 -2.815
367 HG3 LYS 29 HG3 LYS 29 -4.099 11.689 -3.051
368 HD2 LYS 29 HD2 LYS 29 -3.243 12.401 -0.825
369 HD3 LYS 29 HD3 LYS 29 -2.453 10.820 -0.633
370 HE2 LYS 29 HE2 LYS 29 -1.069 11.229 -2.624
371 HE3 LYS 29 HE3 LYS 29 -1.936 12.735 -2.952
372 HZ1 LYS 29 HZ1 LYS 29 0.182 13.144 -1.829
373 HZ2 LYS 29 HZ2 LYS 29 -0.288 12.267 -0.526
374 HZ3 LYS 29 HZ3 LYS 29 -1.061 13.654 -0.908
375 H THR 30 H THR 30 -5.886 9.840 -4.927
376 HA THR 30 HA THR 30 -6.650 12.563 -5.654
377 HB THR 30 HB THR 30 -4.887 11.321 -6.821
378 HG1 THR 30 HG1 THR 30 -5.547 12.060 -8.834
379 HG21 THR 30 HG21 THR 30 -7.126 9.666 -8.080
380 HG22 THR 30 HG22 THR 30 -5.895 9.059 -6.948
381 HG23 THR 30 HG23 THR 30 -5.415 9.660 -8.538
382 H LYS 31 H LYS 31 -8.316 9.404 -5.733
383 HA LYS 31 HA LYS 31 -10.712 10.700 -6.922
384 HB2 LYS 31 HB2 LYS 31 -11.562 8.507 -7.275
385 HB3 LYS 31 HB3 LYS 31 -9.919 8.607 -7.892
386 HG2 LYS 31 HG2 LYS 31 -9.062 7.296 -6.032
387 HG3 LYS 31 HG3 LYS 31 -10.610 7.389 -5.176
388 HD2 LYS 31 HD2 LYS 31 -10.415 5.202 -6.168
389 HD3 LYS 31 HD3 LYS 31 -11.706 6.095 -6.976
390 HE2 LYS 31 HE2 LYS 31 -10.137 6.657 -8.842
391 HE3 LYS 31 HE3 LYS 31 -8.855 5.750 -8.035
392 HZ1 LYS 31 HZ1 LYS 31 -11.415 4.599 -9.004
393 HZ2 LYS 31 HZ2 LYS 31 -10.223 3.745 -8.270
394 HZ3 LYS 31 HZ3 LYS 31 -9.961 4.421 -9.732
395 H ARG 32 H ARG 32 -9.594 9.969 -3.787
396 HA ARG 32 HA ARG 32 -12.222 10.596 -2.566
397 HB2 ARG 32 HB2 ARG 32 -12.214 8.145 -2.840
398 HB3 ARG 32 HB3 ARG 32 -10.673 8.038 -2.015
399 HG2 ARG 32 HG2 ARG 32 -12.527 9.477 -0.289
400 HG3 ARG 32 HG3 ARG 32 -13.362 8.072 -0.929
401 HD2 ARG 32 HD2 ARG 32 -12.276 7.564 1.209
402 HD3 ARG 32 HD3 ARG 32 -11.578 6.596 -0.100
403 HE ARG 32 HE ARG 32 -10.023 8.939 0.086
404 HH11 ARG 32 HH11 ARG 32 -10.491 6.069 2.030
405 HH12 ARG 32 HH12 ARG 32 -8.972 6.293 2.863
406 HH21 ARG 32 HH21 ARG 32 -8.179 9.153 1.102
407 HH22 ARG 32 HH22 ARG 32 -7.655 8.014 2.317
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 -1.301 6.314 2.276
2 H2 GLY 1 2H GLY 1 -1.979 4.846 2.576
3 H3 GLY 1 3H GLY 1 -2.790 6.212 2.962
4 HA2 GLY 1 HA2 GLY 1 -3.727 5.254 0.951
5 HA3 GLY 1 HA3 GLY 1 -3.001 6.838 0.650
6 H ILE 2 H ILE 2 -2.758 3.416 0.018
7 HA ILE 2 HA ILE 2 -0.115 3.096 -0.678
8 HB ILE 2 HB ILE 2 -1.816 1.391 -0.363
9 HG12 ILE 2 HG12 ILE 2 0.475 0.957 -1.376
10 HG13 ILE 2 HG13 ILE 2 -0.745 -0.297 -1.398
11 HG21 ILE 2 HG21 ILE 2 -3.190 0.503 -2.173
12 HG22 ILE 2 HG22 ILE 2 -3.652 2.152 -1.750
13 HG23 ILE 2 HG23 ILE 2 -2.719 1.846 -3.224
14 HD11 ILE 2 HD11 ILE 2 0.496 -0.237 -3.489
15 HD12 ILE 2 HD12 ILE 2 -1.214 0.074 -3.761
16 HD13 ILE 2 HD13 ILE 2 -0.048 1.412 -3.808
17 H VAL 3 H VAL 3 -2.608 4.372 -2.896
18 HA VAL 3 HA VAL 3 -0.959 4.117 -5.228
19 HB VAL 3 HB VAL 3 -3.290 5.997 -4.750
20 HG11 VAL 3 HG11 VAL 3 -1.925 5.222 -7.370
21 HG12 VAL 3 HG12 VAL 3 -3.470 6.083 -7.239
22 HG13 VAL 3 HG13 VAL 3 -1.992 6.848 -6.651
23 HG21 VAL 3 HG21 VAL 3 -3.155 3.302 -6.184
24 HG22 VAL 3 HG22 VAL 3 -3.855 3.564 -4.584
25 HG23 VAL 3 HG23 VAL 3 -4.600 4.326 -5.977
26 H GLU 4 H GLU 4 -1.601 7.022 -3.176
27 HA GLU 4 HA GLU 4 0.283 8.672 -4.579
28 HB2 GLU 4 HB2 GLU 4 -1.626 9.364 -2.970
29 HB3 GLU 4 HB3 GLU 4 -0.518 8.962 -1.659
30 HG2 GLU 4 HG2 GLU 4 -0.273 11.286 -1.979
31 HG3 GLU 4 HG3 GLU 4 1.142 10.626 -2.778
32 H GLN 5 H GLN 5 0.607 6.466 -1.809
33 HA GLN 5 HA GLN 5 3.221 7.205 -0.964
34 HB2 GLN 5 HB2 GLN 5 1.576 5.962 0.335
35 HB3 GLN 5 HB3 GLN 5 1.688 4.581 -0.759
36 HG2 GLN 5 HG2 GLN 5 3.993 4.155 -0.059
37 HG3 GLN 5 HG3 GLN 5 3.990 5.605 0.953
38 HE21 GLN 5 HE21 GLN 5 4.323 2.633 1.764
39 HE22 GLN 5 HE22 GLN 5 3.052 2.437 2.953
40 H CYS 6 HN CYS 6 2.261 4.443 -3.146
41 HA CYS 6 HA CYS 6 5.022 3.822 -3.809
42 HB2 CYS 6 HB2 CYS 6 2.336 3.053 -4.976
43 HB3 CYS 6 HB3 CYS 6 3.855 2.526 -5.677
44 H CYS 7 HN CYS 7 2.681 6.093 -5.260
45 HA CYS 7 HA CYS 7 4.253 6.531 -7.674
46 HB2 CYS 7 HB2 CYS 7 2.175 8.223 -6.253
47 HB3 CYS 7 HB3 CYS 7 2.940 8.696 -7.766
48 H THR 8 H THR 8 4.005 8.390 -4.595
49 HA THR 8 HA THR 8 6.056 10.285 -5.479
50 HB THR 8 HB THR 8 5.661 11.427 -3.356
51 HG1 THR 8 HG1 THR 8 3.720 9.413 -2.873
52 HG21 THR 8 HG21 THR 8 4.203 11.948 -5.248
53 HG22 THR 8 HG22 THR 8 3.322 12.064 -3.715
54 HG23 THR 8 HG23 THR 8 3.075 10.660 -4.775
55 H SER 9 H SER 9 6.195 7.351 -3.631
56 HA SER 9 HA SER 9 9.057 7.900 -3.063
57 HB2 SER 9 HB2 SER 9 8.883 7.231 -0.782
58 HB3 SER 9 HB3 SER 9 7.710 8.517 -1.061
59 HG SER 9 HG SER 9 6.181 6.614 -1.420
60 H ILE 10 H ILE 10 10.195 5.883 -2.265
61 HA ILE 10 HA ILE 10 9.627 3.625 -4.026
62 HB ILE 10 HB ILE 10 11.698 4.253 -1.905
63 HG12 ILE 10 HG12 ILE 10 11.770 3.552 -4.883
64 HG13 ILE 10 HG13 ILE 10 11.942 5.160 -4.171
65 HG21 ILE 10 HG21 ILE 10 11.200 1.519 -3.116
66 HG22 ILE 10 HG22 ILE 10 12.722 1.983 -2.319
67 HG23 ILE 10 HG23 ILE 10 11.238 1.947 -1.401
68 HD11 ILE 10 HD11 ILE 10 14.102 4.439 -4.814
69 HD12 ILE 10 HD12 ILE 10 14.044 4.381 -3.038
70 HD13 ILE 10 HD13 ILE 10 13.927 2.876 -3.990
71 H CYS 11 HN CYS 11 8.470 1.861 -3.664
72 HA CYS 11 HA CYS 11 7.740 1.130 -0.882
73 HB2 CYS 11 HB2 CYS 11 5.508 0.703 -1.391
74 HB3 CYS 11 HB3 CYS 11 5.853 2.297 -2.024
75 H SER 12 H SER 12 6.647 -1.235 -1.058
76 HA SER 12 HA SER 12 8.502 -3.015 -2.559
77 HB2 SER 12 HB2 SER 12 9.034 -4.194 -0.474
78 HB3 SER 12 HB3 SER 12 9.537 -2.498 -0.375
79 HG SER 12 HG SER 12 8.392 -3.367 1.517
80 H LEU 13 H LEU 13 7.871 -5.352 -2.335
81 HA LEU 13 HA LEU 13 5.126 -5.708 -3.038
82 HB2 LEU 13 HB2 LEU 13 7.406 -7.593 -2.381
83 HB3 LEU 13 HB3 LEU 13 5.773 -8.196 -2.635
84 HG LEU 13 HG LEU 13 5.670 -7.231 -4.876
85 HD11 LEU 13 HD11 LEU 13 7.176 -5.331 -4.804
86 HD12 LEU 13 HD12 LEU 13 7.774 -6.468 -6.011
87 HD13 LEU 13 HD13 LEU 13 8.552 -6.391 -4.421
88 HD21 LEU 13 HD21 LEU 13 6.447 -9.548 -4.523
89 HD22 LEU 13 HD22 LEU 13 8.130 -8.978 -4.419
90 HD23 LEU 13 HD23 LEU 13 7.217 -8.823 -5.942
91 H TYR 14 H TYR 14 6.703 -5.939 0.124
92 HA TYR 14 HA TYR 14 4.476 -7.103 1.520
93 HB2 TYR 14 HB2 TYR 14 6.772 -6.944 2.417
94 HB3 TYR 14 HB3 TYR 14 6.646 -5.189 2.470
95 HD1 TYR 14 HD1 TYR 14 5.246 -8.357 3.861
96 HD2 TYR 14 HD2 TYR 14 5.605 -4.085 4.341
97 HE1 TYR 14 HE1 TYR 14 4.252 -8.536 6.138
98 HE2 TYR 14 HE2 TYR 14 4.592 -4.255 6.611
99 HH TYR 14 HH TYR 14 3.577 -7.390 8.029
100 H GLN 15 H GLN 15 5.196 -3.757 0.568
101 HA GLN 15 HA GLN 15 2.910 -2.584 2.006
102 HB2 GLN 15 HB2 GLN 15 4.795 -1.486 -0.121
103 HB3 GLN 15 HB3 GLN 15 3.512 -0.558 0.651
104 HG2 GLN 15 HG2 GLN 15 4.546 -0.768 2.833
105 HG3 GLN 15 HG3 GLN 15 5.745 -1.908 2.234
106 HE21 GLN 15 HE21 GLN 15 7.672 -1.111 1.372
107 HE22 GLN 15 HE22 GLN 15 7.987 0.624 1.258
108 H LEU 16 H LEU 16 3.570 -3.759 -1.320
109 HA LEU 16 HA LEU 16 1.017 -3.005 -2.426
110 HB2 LEU 16 HB2 LEU 16 2.858 -5.339 -3.116
111 HB3 LEU 16 HB3 LEU 16 1.501 -4.817 -4.084
112 HG LEU 16 HG LEU 16 4.018 -3.190 -3.538
113 HD11 LEU 16 HD11 LEU 16 4.369 -5.084 -5.051
114 HD12 LEU 16 HD12 LEU 16 4.454 -3.555 -5.930
115 HD13 LEU 16 HD13 LEU 16 2.995 -4.562 -6.060
116 HD21 LEU 16 HD21 LEU 16 1.585 -2.508 -5.236
117 HD22 LEU 16 HD22 LEU 16 3.135 -1.629 -5.265
118 HD23 LEU 16 HD23 LEU 16 2.167 -1.644 -3.790
119 H GLU 17 H GLU 17 2.066 -6.122 -0.939
120 HA GLU 17 HA GLU 17 -0.520 -7.313 -1.083
121 HB2 GLU 17 HB2 GLU 17 1.896 -7.938 0.661
122 HB3 GLU 17 HB3 GLU 17 0.388 -8.859 0.727
123 HG2 GLU 17 HG2 GLU 17 0.628 -9.152 -1.818
124 HG3 GLU 17 HG3 GLU 17 2.301 -8.626 -1.605
125 H ASN 18 H ASN 18 0.839 -5.154 1.408
126 HA ASN 18 HA ASN 18 -0.969 -5.683 3.511
127 HB2 ASN 18 HB2 ASN 18 1.047 -4.297 3.705
128 HB3 ASN 18 HB3 ASN 18 0.317 -3.066 2.679
129 HD21 ASN 18 HD21 ASN 18 -1.172 -1.576 3.643
130 HD22 ASN 18 HD22 ASN 18 -1.540 -1.621 5.355
131 H TYR 19 H TYR 19 -1.512 -3.937 0.517
132 HA TYR 19 HA TYR 19 -4.233 -3.039 1.348
133 HB2 TYR 19 HB2 TYR 19 -2.324 -2.246 -0.873
134 HB3 TYR 19 HB3 TYR 19 -4.020 -1.825 -0.929
135 HD1 TYR 19 HD2 TYR 19 -0.930 -1.416 1.149
136 HD2 TYR 19 HD1 TYR 19 -4.948 -0.066 0.382
137 HE1 TYR 19 HE2 TYR 19 -0.540 0.549 2.633
138 HE2 TYR 19 HE1 TYR 19 -4.569 1.895 1.867
139 HH TYR 19 HH TYR 19 -1.433 2.474 3.506
140 H CYS 20 HN CYS 20 -3.047 -5.849 0.228
141 HA CYS 20 HA CYS 20 -5.346 -6.418 -1.595
142 HB2 CYS 20 HB2 CYS 20 -2.815 -7.966 -1.000
143 HB3 CYS 20 HB3 CYS 20 -4.120 -8.539 -2.040
144 H ASN 21 H ASN 21 -6.436 -8.494 -1.291
145 HA ASN 21 HA ASN 21 -7.367 -8.798 1.469
146 HB2 ASN 21 HB2 ASN 21 -8.112 -10.278 -1.083
147 HB3 ASN 21 HB3 ASN 21 -8.906 -10.485 0.469
148 HD21 ASN 21 HD21 ASN 21 -9.144 -8.843 -2.431
149 HD22 ASN 21 HD22 ASN 21 -10.143 -7.499 -1.877
150 H1 PHE 1 H1 PHE 1 9.831 -4.493 -10.713
151 H2 PHE 1 H2 PHE 1 10.893 -3.572 -9.868
152 H3 PHE 1 H3 PHE 1 9.283 -3.434 -9.579
153 HA PHE 1 HA PHE 1 9.175 -5.687 -8.766
154 HB2 PHE 1 HB2 PHE 1 11.078 -6.503 -10.144
155 HB3 PHE 1 HB3 PHE 1 12.201 -5.633 -9.117
156 HD1 PHE 1 HD1 PHE 1 9.269 -7.980 -8.529
157 HD2 PHE 1 HD2 PHE 1 13.418 -7.080 -7.730
158 HE1 PHE 1 HE1 PHE 1 9.395 -9.902 -6.970
159 HE2 PHE 1 HE2 PHE 1 13.532 -9.011 -6.179
160 HZ PHE 1 HZ PHE 1 11.520 -10.419 -5.794
161 H VAL 2 H VAL 2 11.059 -6.117 -6.514
162 HA VAL 2 HA VAL 2 9.909 -4.351 -4.650
163 HB VAL 2 HB VAL 2 10.891 -6.656 -4.279
164 HG11 VAL 2 HG11 VAL 2 13.507 -5.187 -3.742
165 HG12 VAL 2 HG12 VAL 2 13.174 -6.916 -3.534
166 HG13 VAL 2 HG13 VAL 2 13.197 -6.218 -5.156
167 HG21 VAL 2 HG21 VAL 2 11.581 -4.561 -2.190
168 HG22 VAL 2 HG22 VAL 2 9.976 -5.257 -2.477
169 HG23 VAL 2 HG23 VAL 2 11.299 -6.292 -1.924
170 H ASN 3 H ASN 3 10.701 -2.640 -3.391
171 HA ASN 3 HA ASN 3 11.830 -0.810 -2.794
172 HB2 ASN 3 HB2 ASN 3 13.593 -2.629 -2.467
173 HB3 ASN 3 HB3 ASN 3 14.361 -2.038 -3.940
174 HD21 ASN 3 HD22 ASN 3 15.051 0.318 -3.910
175 HD22 ASN 3 HD21 ASN 3 15.562 0.981 -2.361
176 H GLN 4 H GLN 4 10.350 -0.243 -4.842
177 HA GLN 4 HA GLN 4 11.861 1.723 -6.429
178 HB2 GLN 4 HB2 GLN 4 10.857 -0.852 -7.524
179 HB3 GLN 4 HB3 GLN 4 10.230 0.527 -8.391
180 HG2 GLN 4 HG2 GLN 4 13.187 -0.011 -7.904
181 HG3 GLN 4 HG3 GLN 4 12.318 -0.360 -9.384
182 HE21 GLN 4 HE21 GLN 4 14.342 1.127 -10.030
183 HE22 GLN 4 HE22 GLN 4 13.933 2.839 -10.134
184 H HIS 5 H HIS 5 10.351 3.024 -7.831
185 HA HIS 5 HA HIS 5 7.872 3.752 -6.362
186 HB2 HIS 5 HB2 HIS 5 9.247 4.856 -8.856
187 HB3 HIS 5 HB3 HIS 5 7.680 5.403 -8.281
188 HD1 HIS 5 HD1 HIS 5 7.772 7.494 -6.802
189 HD2 HIS 5 HD2 HIS 5 11.319 5.229 -6.839
190 HE1 HIS 5 HE1 HIS 5 9.497 8.845 -5.505
191 H LEU 6 H LEU 6 5.826 3.397 -7.215
192 HA LEU 6 HA LEU 6 5.432 2.114 -9.862
193 HB2 LEU 6 HB2 LEU 6 4.517 0.971 -7.188
194 HB3 LEU 6 HB3 LEU 6 3.723 0.564 -8.700
195 HG LEU 6 HG LEU 6 6.681 0.045 -8.196
196 HD11 LEU 6 HD11 LEU 6 4.285 -1.790 -7.836
197 HD12 LEU 6 HD12 LEU 6 5.381 -1.201 -6.569
198 HD13 LEU 6 HD13 LEU 6 5.989 -2.307 -7.810
199 HD21 LEU 6 HD21 LEU 6 6.069 0.120 -10.598
200 HD22 LEU 6 HD22 LEU 6 4.738 -1.019 -10.305
201 HD23 LEU 6 HD23 LEU 6 6.425 -1.537 -10.099
202 H CYS 7 HN CYS 7 3.851 3.192 -10.909
203 HA CYS 7 HA CYS 7 1.689 4.494 -9.343
204 HB2 CYS 7 HB2 CYS 7 3.779 5.967 -9.792
205 HB3 CYS 7 HB3 CYS 7 3.269 5.983 -11.472
206 H GLY 8 H GLY 8 -0.205 4.943 -10.467
207 HA2 GLY 8 HA2 GLY 8 -1.876 4.703 -12.044
208 HA3 GLY 8 HA3 GLY 8 -0.584 4.919 -13.229
209 H SER 9 H SER 9 -0.915 3.475 -14.762
210 HA SER 9 HA SER 9 -2.172 0.928 -14.565
211 HB2 SER 9 HB2 SER 9 -1.110 0.580 -16.817
212 HB3 SER 9 HB3 SER 9 -2.054 2.063 -16.656
213 HG SER 9 HG SER 9 -0.021 2.419 -17.707
214 H HIS 10 H HIS 10 1.336 1.768 -14.275
215 HA HIS 10 HA HIS 10 2.159 -1.009 -14.128
216 HB2 HIS 10 HB2 HIS 10 3.504 1.613 -13.419
217 HB3 HIS 10 HB3 HIS 10 4.271 0.044 -13.225
218 HD1 HIS 10 HD1 HIS 10 3.778 -1.486 -15.833
219 HD2 HIS 10 HD2 HIS 10 4.422 2.683 -15.622
220 HE1 HIS 10 HE1 HIS 10 4.621 -0.769 -18.121
221 H LEU 11 H LEU 11 1.027 1.288 -11.659
222 HA LEU 11 HA LEU 11 1.695 -0.502 -9.447
223 HB2 LEU 11 HB2 LEU 11 1.386 1.918 -9.109
224 HB3 LEU 11 HB3 LEU 11 -0.294 1.803 -9.622
225 HG LEU 11 HG LEU 11 -0.780 0.328 -7.689
226 HD11 LEU 11 HD11 LEU 11 2.087 0.926 -6.825
227 HD12 LEU 11 HD12 LEU 11 1.459 -0.669 -7.289
228 HD13 LEU 11 HD13 LEU 11 0.850 0.123 -5.844
229 HD21 LEU 11 HD21 LEU 11 0.552 2.946 -6.886
230 HD22 LEU 11 HD22 LEU 11 -0.712 2.058 -6.002
231 HD23 LEU 11 HD23 LEU 11 -1.082 2.788 -7.569
232 H VAL 12 H VAL 12 -1.231 0.076 -11.391
233 HA VAL 12 HA VAL 12 -2.918 -1.877 -10.157
234 HB VAL 12 HB VAL 12 -2.843 -0.752 -12.981
235 HG11 VAL 12 HG11 VAL 12 -5.149 -1.681 -13.294
236 HG12 VAL 12 HG12 VAL 12 -3.898 -2.920 -13.260
237 HG13 VAL 12 HG13 VAL 12 -4.916 -2.660 -11.830
238 HG21 VAL 12 HG21 VAL 12 -4.854 0.457 -12.247
239 HG22 VAL 12 HG22 VAL 12 -4.759 -0.316 -10.656
240 HG23 VAL 12 HG23 VAL 12 -3.494 0.808 -11.182
241 H GLU 13 H GLU 13 -0.711 -2.194 -12.977
242 HA GLU 13 HA GLU 13 -0.924 -4.960 -13.464
243 HB2 GLU 13 HB2 GLU 13 0.159 -3.369 -14.947
244 HB3 GLU 13 HB3 GLU 13 1.368 -2.995 -13.721
245 HG2 GLU 13 HG2 GLU 13 2.339 -5.234 -13.926
246 HG3 GLU 13 HG3 GLU 13 1.079 -5.681 -15.087
247 H ALA 14 H ALA 14 1.413 -3.254 -11.261
248 HA ALA 14 HA ALA 14 2.673 -5.617 -10.327
249 HB1 ALA 14 HB1 ALA 14 3.612 -3.349 -10.085
250 HB2 ALA 14 HB2 ALA 14 2.315 -2.921 -8.936
251 HB3 ALA 14 HB3 ALA 14 3.508 -4.172 -8.519
252 H LEU 15 H LEU 15 -0.126 -3.818 -8.891
253 HA LEU 15 HA LEU 15 -0.439 -5.573 -6.640
254 HB2 LEU 15 HB2 LEU 15 -2.372 -3.770 -8.129
255 HB3 LEU 15 HB3 LEU 15 -2.811 -4.656 -6.673
256 HG LEU 15 HG LEU 15 -0.450 -2.744 -6.690
257 HD11 LEU 15 HD11 LEU 15 -2.497 -1.510 -7.394
258 HD12 LEU 15 HD12 LEU 15 -1.896 -1.007 -5.806
259 HD13 LEU 15 HD13 LEU 15 -3.314 -2.066 -5.913
260 HD21 LEU 15 HD21 LEU 15 -0.624 -4.365 -4.789
261 HD22 LEU 15 HD22 LEU 15 -2.249 -3.761 -4.435
262 HD23 LEU 15 HD23 LEU 15 -0.839 -2.687 -4.264
263 H TYR 16 H TYR 16 -1.850 -5.806 -9.948
264 HA TYR 16 HA TYR 16 -3.359 -8.201 -9.397
265 HB2 TYR 16 HB2 TYR 16 -2.296 -6.899 -11.916
266 HB3 TYR 16 HB3 TYR 16 -2.947 -8.523 -11.982
267 HD1 TYR 16 HD1 TYR 16 -5.290 -8.727 -10.480
268 HD2 TYR 16 HD2 TYR 16 -3.858 -5.358 -12.758
269 HE1 TYR 16 HE1 TYR 16 -7.624 -7.929 -10.748
270 HE2 TYR 16 HE2 TYR 16 -6.200 -4.554 -13.039
271 HH TYR 16 HH TYR 16 -8.425 -4.943 -12.589
272 H LEU 17 H LEU 17 -0.023 -7.801 -10.732
273 HA LEU 17 HA LEU 17 0.417 -10.645 -10.976
274 HB2 LEU 17 HB2 LEU 17 2.118 -8.150 -11.143
275 HB3 LEU 17 HB3 LEU 17 2.925 -9.687 -10.925
276 HG LEU 17 HG LEU 17 1.936 -10.637 -12.910
277 HD11 LEU 17 HD11 LEU 17 0.687 -7.923 -13.515
278 HD12 LEU 17 HD12 LEU 17 -0.215 -9.389 -13.064
279 HD13 LEU 17 HD13 LEU 17 0.703 -9.335 -14.570
280 HD21 LEU 17 HD21 LEU 17 4.087 -9.435 -13.030
281 HD22 LEU 17 HD22 LEU 17 3.233 -7.930 -13.433
282 HD23 LEU 17 HD23 LEU 17 3.190 -9.307 -14.557
283 H VAL 18 H VAL 18 1.215 -8.372 -8.348
284 HA VAL 18 HA VAL 18 2.704 -10.319 -6.837
285 HB VAL 18 HB VAL 18 1.548 -7.607 -6.092
286 HG11 VAL 18 HG11 VAL 18 3.053 -7.661 -4.106
287 HG12 VAL 18 HG12 VAL 18 1.735 -8.826 -3.985
288 HG13 VAL 18 HG13 VAL 18 3.371 -9.386 -4.411
289 HG21 VAL 18 HG21 VAL 18 4.413 -8.582 -6.563
290 HG22 VAL 18 HG22 VAL 18 3.455 -7.743 -7.784
291 HG23 VAL 18 HG23 VAL 18 3.892 -6.909 -6.298
292 H CYS 19 HN CYS 19 -0.711 -9.126 -6.546
293 HA CYS 19 HA CYS 19 -1.139 -10.955 -4.259
294 HB2 CYS 19 HB2 CYS 19 -2.922 -8.848 -5.499
295 HB3 CYS 19 HB3 CYS 19 -3.216 -9.722 -3.993
296 H GLY 20 H GLY 20 -1.910 -10.965 -7.670
297 HA2 GLY 20 HA2 GLY 20 -2.876 -12.619 -8.970
298 HA3 GLY 20 HA3 GLY 20 -3.004 -13.633 -7.524
299 H GLU 21 H GLU 21 -5.036 -14.371 -7.879
300 HA GLU 21 HA GLU 21 -7.293 -12.879 -8.735
301 HB2 GLU 21 HB2 GLU 21 -6.908 -15.351 -8.862
302 HB3 GLU 21 HB3 GLU 21 -7.216 -15.466 -7.127
303 HG2 GLU 21 HG2 GLU 21 -9.527 -14.717 -7.459
304 HG3 GLU 21 HG3 GLU 21 -9.209 -14.371 -9.164
305 H ARG 22 H ARG 22 -5.847 -12.965 -5.568
306 HA ARG 22 HA ARG 22 -8.093 -12.579 -3.888
307 HB2 ARG 22 HB2 ARG 22 -5.227 -11.593 -3.601
308 HB3 ARG 22 HB3 ARG 22 -6.435 -11.563 -2.315
309 HG2 ARG 22 HG2 ARG 22 -6.684 -14.022 -2.460
310 HG3 ARG 22 HG3 ARG 22 -5.435 -14.088 -3.712
311 HD2 ARG 22 HD2 ARG 22 -5.028 -13.015 -0.893
312 HD3 ARG 22 HD3 ARG 22 -4.628 -14.643 -1.410
313 HE ARG 22 HE ARG 22 -3.132 -13.502 -3.167
314 HH11 ARG 22 HH21 ARG 22 -3.698 -11.695 -0.161
315 HH12 ARG 22 HH22 ARG 22 -1.991 -11.345 0.006
316 HH21 ARG 22 HH11 ARG 22 -0.979 -13.002 -2.844
317 HH22 ARG 22 HH12 ARG 22 -0.498 -12.016 -1.487
318 H GLY 23 H GLY 23 -6.409 -10.223 -5.924
319 HA2 GLY 23 HA2 GLY 23 -7.050 -8.096 -6.576
320 HA3 GLY 23 HA3 GLY 23 -8.549 -8.284 -5.655
321 H PHE 24 H PHE 24 -7.540 -5.890 -5.740
322 HA PHE 24 HA PHE 24 -6.189 -5.317 -3.152
323 HB2 PHE 24 HB2 PHE 24 -4.781 -3.708 -4.377
324 HB3 PHE 24 HB3 PHE 24 -4.556 -5.356 -4.940
325 HD1 PHE 24 HD1 PHE 24 -5.959 -2.034 -5.858
326 HD2 PHE 24 HD2 PHE 24 -5.117 -6.057 -7.176
327 HE1 PHE 24 HE1 PHE 24 -6.387 -1.365 -8.218
328 HE2 PHE 24 HE2 PHE 24 -5.533 -5.367 -9.517
329 HZ PHE 24 HZ PHE 24 -6.189 -3.025 -10.035
330 H PHE 25 H PHE 25 -6.434 -3.254 -2.292
331 HA PHE 25 HA PHE 25 -8.777 -1.656 -3.213
332 HB2 PHE 25 HB2 PHE 25 -8.851 -2.443 -0.898
333 HB3 PHE 25 HB3 PHE 25 -7.257 -1.767 -0.587
334 HD1 PHE 25 HD1 PHE 25 -9.698 0.281 -2.556
335 HD2 PHE 25 HD2 PHE 25 -8.181 -0.652 1.381
336 HE1 PHE 25 HE1 PHE 25 -10.707 2.348 -1.669
337 HE2 PHE 25 HE2 PHE 25 -9.230 1.417 2.260
338 HZ PHE 25 HZ PHE 25 -10.479 2.928 0.740
339 H TYR 26 H TYR 26 -8.218 -0.049 -4.549
340 HA TYR 26 HA TYR 26 -5.459 0.856 -4.794
341 HB2 TYR 26 HB2 TYR 26 -7.096 0.190 -6.646
342 HB3 TYR 26 HB3 TYR 26 -7.875 1.741 -6.407
343 HD1 TYR 26 HD1 TYR 26 -4.527 0.162 -7.086
344 HD2 TYR 26 HD2 TYR 26 -7.066 3.601 -7.667
345 HE1 TYR 26 HE1 TYR 26 -2.873 1.111 -8.681
346 HE2 TYR 26 HE2 TYR 26 -5.408 4.565 -9.247
347 HH TYR 26 HH TYR 26 -2.366 2.858 -10.106
348 H THR 27 H THR 27 -5.908 1.711 -2.407
349 HA THR 27 HA THR 27 -7.465 3.972 -1.945
350 HB THR 27 HB THR 27 -4.995 3.359 -0.329
351 HG1 THR 27 HG1 THR 27 -7.500 2.050 -0.147
352 HG21 THR 27 HG21 THR 27 -7.803 4.301 0.403
353 HG22 THR 27 HG22 THR 27 -6.329 5.291 0.423
354 HG23 THR 27 HG23 THR 27 -6.495 3.940 1.557
355 HA PRO 28 HA PRO 28 -4.659 7.214 -3.537
356 HB2 PRO 28 HB2 PRO 28 -6.374 9.305 -3.513
357 HB3 PRO 28 HB3 PRO 28 -6.606 7.935 -4.637
358 HG2 PRO 28 HG2 PRO 28 -7.938 8.369 -1.937
359 HG3 PRO 28 HG3 PRO 28 -8.721 8.005 -3.510
360 HD2 PRO 28 HD2 PRO 28 -8.107 6.070 -1.667
361 HD3 PRO 28 HD3 PRO 28 -8.066 5.765 -3.427
362 H LYS 29 H LYS 29 -4.401 9.699 -2.609
363 HA LYS 29 HA LYS 29 -3.293 9.567 0.019
364 HB2 LYS 29 HB2 LYS 29 -2.764 11.171 -1.884
365 HB3 LYS 29 HB3 LYS 29 -4.267 12.020 -1.515
366 HG2 LYS 29 HG2 LYS 29 -3.393 12.477 0.795
367 HG3 LYS 29 HG3 LYS 29 -1.890 11.643 0.368
368 HD2 LYS 29 HD2 LYS 29 -1.562 13.299 -1.502
369 HD3 LYS 29 HD3 LYS 29 -3.001 14.161 -0.973
370 HE2 LYS 29 HE2 LYS 29 -0.523 13.659 0.748
371 HE3 LYS 29 HE3 LYS 29 -0.806 15.132 -0.180
372 HZ1 LYS 29 HZ1 LYS 29 -2.511 14.169 2.049
373 HZ2 LYS 29 HZ2 LYS 29 -2.811 15.520 1.162
374 HZ3 LYS 29 HZ3 LYS 29 -1.484 15.430 2.113
375 H THR 30 H THR 30 -6.490 10.530 -1.094
376 HA THR 30 HA THR 30 -7.467 11.040 1.687
377 HB THR 30 HB THR 30 -8.841 12.883 0.665
378 HG1 THR 30 HG1 THR 30 -8.031 13.669 -1.354
379 HG21 THR 30 HG21 THR 30 -6.704 13.318 1.906
380 HG22 THR 30 HG22 THR 30 -7.064 14.526 0.658
381 HG23 THR 30 HG23 THR 30 -5.833 13.283 0.361
382 H LYS 31 H LYS 31 -9.419 11.399 -1.132
383 HA LYS 31 HA LYS 31 -10.874 8.851 -0.820
384 HB2 LYS 31 HB2 LYS 31 -12.962 9.918 -0.114
385 HB3 LYS 31 HB3 LYS 31 -11.680 10.159 1.070
386 HG2 LYS 31 HG2 LYS 31 -11.330 12.479 0.258
387 HG3 LYS 31 HG3 LYS 31 -12.580 12.243 -0.975
388 HD2 LYS 31 HD2 LYS 31 -14.262 11.846 0.831
389 HD3 LYS 31 HD3 LYS 31 -12.992 12.034 2.043
390 HE2 LYS 31 HE2 LYS 31 -14.178 14.105 1.971
391 HE3 LYS 31 HE3 LYS 31 -12.589 14.377 1.252
392 HZ1 LYS 31 HZ1 LYS 31 -15.106 13.965 -0.271
393 HZ2 LYS 31 HZ2 LYS 31 -13.637 14.236 -0.943
394 HZ3 LYS 31 HZ3 LYS 31 -14.358 15.398 -0.053
395 H ARG 32 H ARG 32 -9.475 10.268 -2.955
396 HA ARG 32 HA ARG 32 -11.057 11.582 -4.874
397 HB2 ARG 32 HB2 ARG 32 -8.701 9.716 -5.380
398 HB3 ARG 32 HB3 ARG 32 -9.314 10.946 -6.483
399 HG2 ARG 32 HG2 ARG 32 -8.703 12.724 -4.853
400 HG3 ARG 32 HG3 ARG 32 -8.054 11.488 -3.754
401 HD2 ARG 32 HD2 ARG 32 -6.496 10.761 -5.564
402 HD3 ARG 32 HD3 ARG 32 -7.052 12.124 -6.553
403 HE ARG 32 HE ARG 32 -6.311 13.541 -4.492
404 HH11 ARG 32 HH11 ARG 32 -4.479 10.757 -5.696
405 HH12 ARG 32 HH12 ARG 32 -3.013 11.391 -4.928
406 HH21 ARG 32 HH21 ARG 32 -4.287 14.192 -3.697
407 HH22 ARG 32 HH22 ARG 32 -2.922 13.095 -3.951
Start of MODEL 21
1 H1 GLY 1 1H GLY 1 -4.708 7.639 0.940
2 H2 GLY 1 2H GLY 1 -3.594 8.144 -0.148
3 H3 GLY 1 3H GLY 1 -3.105 7.519 1.286
4 HA2 GLY 1 HA2 GLY 1 -4.013 5.348 0.709
5 HA3 GLY 1 HA3 GLY 1 -4.503 6.029 -0.852
6 H ILE 2 H ILE 2 -2.938 3.839 -0.887
7 HA ILE 2 HA ILE 2 -0.217 4.003 -0.493
8 HB ILE 2 HB ILE 2 -1.446 1.955 -0.769
9 HG12 ILE 2 HG12 ILE 2 0.707 2.009 -2.896
10 HG13 ILE 2 HG13 ILE 2 1.053 2.118 -1.164
11 HG21 ILE 2 HG21 ILE 2 -3.004 2.516 -2.588
12 HG22 ILE 2 HG22 ILE 2 -1.656 2.562 -3.744
13 HG23 ILE 2 HG23 ILE 2 -2.120 1.044 -2.959
14 HD11 ILE 2 HD11 ILE 2 -0.129 -0.078 -0.843
15 HD12 ILE 2 HD12 ILE 2 -0.217 -0.224 -2.613
16 HD13 ILE 2 HD13 ILE 2 1.356 -0.147 -1.793
17 H VAL 3 H VAL 3 -1.801 5.192 -3.426
18 HA VAL 3 HA VAL 3 0.592 5.424 -4.960
19 HB VAL 3 HB VAL 3 -1.767 5.666 -5.799
20 HG11 VAL 3 HG11 VAL 3 -2.547 7.395 -4.207
21 HG12 VAL 3 HG12 VAL 3 -1.475 8.584 -4.981
22 HG13 VAL 3 HG13 VAL 3 -2.801 7.868 -5.902
23 HG21 VAL 3 HG21 VAL 3 0.233 6.098 -7.208
24 HG22 VAL 3 HG22 VAL 3 -1.167 7.072 -7.679
25 HG23 VAL 3 HG23 VAL 3 0.153 7.818 -6.760
26 H GLU 4 H GLU 4 -0.573 7.410 -2.292
27 HA GLU 4 HA GLU 4 1.223 9.638 -2.753
28 HB2 GLU 4 HB2 GLU 4 -1.054 9.527 -1.452
29 HB3 GLU 4 HB3 GLU 4 -0.085 8.895 -0.126
30 HG2 GLU 4 HG2 GLU 4 -0.331 11.179 0.299
31 HG3 GLU 4 HG3 GLU 4 1.310 11.053 -0.300
32 H GLN 5 H GLN 5 1.907 6.493 -1.918
33 HA GLN 5 HA GLN 5 4.481 7.277 -0.574
34 HB2 GLN 5 HB2 GLN 5 3.156 5.707 0.807
35 HB3 GLN 5 HB3 GLN 5 2.962 4.631 -0.579
36 HG2 GLN 5 HG2 GLN 5 5.501 4.367 -0.627
37 HG3 GLN 5 HG3 GLN 5 5.570 5.324 0.852
38 HE21 GLN 5 HE21 GLN 5 3.538 2.524 -0.339
39 HE22 GLN 5 HE22 GLN 5 3.847 1.560 1.097
40 H CYS 6 HN CYS 6 3.043 4.872 -2.880
41 HA CYS 6 HA CYS 6 5.567 4.078 -3.931
42 HB2 CYS 6 HB2 CYS 6 2.723 3.861 -4.969
43 HB3 CYS 6 HB3 CYS 6 4.096 3.098 -5.753
44 H CYS 7 HN CYS 7 3.496 6.733 -5.014
45 HA CYS 7 HA CYS 7 4.986 6.978 -7.568
46 HB2 CYS 7 HB2 CYS 7 2.480 7.193 -7.297
47 HB3 CYS 7 HB3 CYS 7 2.759 8.734 -6.479
48 H THR 8 H THR 8 4.829 8.580 -4.437
49 HA THR 8 HA THR 8 6.426 10.927 -5.231
50 HB THR 8 HB THR 8 6.135 11.488 -2.785
51 HG1 THR 8 HG1 THR 8 4.555 10.076 -1.727
52 HG21 THR 8 HG21 THR 8 3.527 10.773 -4.222
53 HG22 THR 8 HG22 THR 8 4.475 12.255 -4.486
54 HG23 THR 8 HG23 THR 8 3.733 11.948 -2.906
55 H SER 9 H SER 9 6.845 7.897 -3.477
56 HA SER 9 HA SER 9 9.800 8.248 -3.478
57 HB2 SER 9 HB2 SER 9 8.765 8.965 -1.273
58 HB3 SER 9 HB3 SER 9 8.201 7.301 -1.072
59 HG SER 9 HG SER 9 10.284 7.804 -0.065
60 H ILE 10 H ILE 10 10.300 5.868 -2.113
61 HA ILE 10 HA ILE 10 9.649 3.804 -4.176
62 HB ILE 10 HB ILE 10 11.619 4.001 -1.895
63 HG12 ILE 10 HG12 ILE 10 12.219 5.273 -3.938
64 HG13 ILE 10 HG13 ILE 10 13.374 4.026 -3.506
65 HG21 ILE 10 HG21 ILE 10 11.139 1.579 -3.652
66 HG22 ILE 10 HG22 ILE 10 12.602 1.837 -2.682
67 HG23 ILE 10 HG23 ILE 10 11.043 1.683 -1.882
68 HD11 ILE 10 HD11 ILE 10 13.018 4.129 -5.927
69 HD12 ILE 10 HD12 ILE 10 12.518 2.556 -5.297
70 HD13 ILE 10 HD13 ILE 10 11.297 3.780 -5.718
71 H CYS 11 HN CYS 11 8.569 1.928 -3.761
72 HA CYS 11 HA CYS 11 7.776 1.252 -0.994
73 HB2 CYS 11 HB2 CYS 11 5.499 0.923 -1.490
74 HB3 CYS 11 HB3 CYS 11 5.900 2.528 -2.058
75 H SER 12 H SER 12 6.759 -1.057 -1.027
76 HA SER 12 HA SER 12 8.464 -2.800 -2.804
77 HB2 SER 12 HB2 SER 12 9.267 -2.687 -0.492
78 HB3 SER 12 HB3 SER 12 7.673 -3.173 0.106
79 HG SER 12 HG SER 12 9.238 -4.918 -0.099
80 H LEU 13 H LEU 13 7.659 -4.826 -3.439
81 HA LEU 13 HA LEU 13 4.857 -5.015 -4.035
82 HB2 LEU 13 HB2 LEU 13 6.871 -7.267 -3.996
83 HB3 LEU 13 HB3 LEU 13 5.363 -7.195 -4.883
84 HG LEU 13 HG LEU 13 7.914 -5.617 -5.410
85 HD11 LEU 13 HD11 LEU 13 7.864 -7.954 -6.211
86 HD12 LEU 13 HD12 LEU 13 7.901 -6.796 -7.552
87 HD13 LEU 13 HD13 LEU 13 6.380 -7.610 -7.123
88 HD21 LEU 13 HD21 LEU 13 5.284 -5.289 -6.905
89 HD22 LEU 13 HD22 LEU 13 6.839 -4.573 -7.344
90 HD23 LEU 13 HD23 LEU 13 6.032 -4.072 -5.858
91 H TYR 14 H TYR 14 6.736 -6.088 -1.262
92 HA TYR 14 HA TYR 14 4.776 -7.776 -0.020
93 HB2 TYR 14 HB2 TYR 14 7.145 -7.622 0.664
94 HB3 TYR 14 HB3 TYR 14 6.910 -5.950 1.167
95 HD1 TYR 14 HD2 TYR 14 5.756 -9.456 1.845
96 HD2 TYR 14 HD1 TYR 14 6.168 -5.443 3.373
97 HE1 TYR 14 HE2 TYR 14 5.062 -10.247 4.103
98 HE2 TYR 14 HE1 TYR 14 5.479 -6.230 5.630
99 HH TYR 14 HH TYR 14 4.818 -8.019 6.912
100 H GLN 15 H GLN 15 4.989 -4.251 -0.261
101 HA GLN 15 HA GLN 15 2.927 -3.753 1.800
102 HB2 GLN 15 HB2 GLN 15 4.176 -1.871 -0.240
103 HB3 GLN 15 HB3 GLN 15 3.105 -1.417 1.084
104 HG2 GLN 15 HG2 GLN 15 4.760 -2.212 2.742
105 HG3 GLN 15 HG3 GLN 15 5.856 -2.698 1.446
106 HE21 GLN 15 HE21 GLN 15 4.743 0.005 3.366
107 HE22 GLN 15 HE22 GLN 15 5.635 1.244 2.488
108 H LEU 16 H LEU 16 3.119 -4.054 -1.758
109 HA LEU 16 HA LEU 16 0.378 -3.387 -2.315
110 HB2 LEU 16 HB2 LEU 16 2.084 -5.488 -3.735
111 HB3 LEU 16 HB3 LEU 16 0.673 -4.693 -4.363
112 HG LEU 16 HG LEU 16 3.393 -3.453 -3.851
113 HD11 LEU 16 HD11 LEU 16 3.106 -4.884 -5.876
114 HD12 LEU 16 HD12 LEU 16 3.424 -3.194 -6.281
115 HD13 LEU 16 HD13 LEU 16 1.776 -3.845 -6.409
116 HD21 LEU 16 HD21 LEU 16 1.763 -1.746 -3.301
117 HD22 LEU 16 HD22 LEU 16 0.867 -2.054 -4.799
118 HD23 LEU 16 HD23 LEU 16 2.515 -1.376 -4.855
119 H GLU 17 H GLU 17 1.883 -6.585 -1.606
120 HA GLU 17 HA GLU 17 -0.550 -8.043 -1.426
121 HB2 GLU 17 HB2 GLU 17 2.101 -8.516 -0.001
122 HB3 GLU 17 HB3 GLU 17 0.733 -9.634 0.025
123 HG2 GLU 17 HG2 GLU 17 0.796 -9.609 -2.529
124 HG3 GLU 17 HG3 GLU 17 2.371 -8.811 -2.383
125 H ASN 18 H ASN 18 0.950 -5.918 1.011
126 HA ASN 18 HA ASN 18 -0.705 -6.810 3.210
127 HB2 ASN 18 HB2 ASN 18 1.484 -5.738 3.521
128 HB3 ASN 18 HB3 ASN 18 0.849 -4.242 2.832
129 HD21 ASN 18 HD21 ASN 18 -0.124 -2.783 4.237
130 HD22 ASN 18 HD22 ASN 18 -0.556 -3.168 5.891
131 H TYR 19 H TYR 19 -1.077 -4.275 0.713
132 HA TYR 19 HA TYR 19 -3.540 -3.167 1.825
133 HB2 TYR 19 HB2 TYR 19 -1.841 -2.779 -0.584
134 HB3 TYR 19 HB3 TYR 19 -3.554 -2.603 -0.894
135 HD1 TYR 19 HD1 TYR 19 -0.943 -1.448 1.576
136 HD2 TYR 19 HD2 TYR 19 -4.581 -0.553 -0.543
137 HE1 TYR 19 HE1 TYR 19 -0.911 0.859 2.506
138 HE2 TYR 19 HE2 TYR 19 -4.568 1.749 0.386
139 HH TYR 19 HH TYR 19 -1.974 2.909 2.582
140 H CYS 20 HN CYS 20 -2.843 -5.507 -0.795
141 HA CYS 20 HA CYS 20 -5.448 -6.054 -1.680
142 HB2 CYS 20 HB2 CYS 20 -2.972 -7.783 -1.446
143 HB3 CYS 20 HB3 CYS 20 -4.410 -8.276 -2.335
144 H ASN 21 H ASN 21 -7.121 -7.285 -1.056
145 HA ASN 21 HA ASN 21 -7.137 -9.307 0.972
146 HB2 ASN 21 HB2 ASN 21 -8.277 -8.216 2.764
147 HB3 ASN 21 HB3 ASN 21 -6.830 -7.288 2.453
148 HD21 ASN 21 HD22 ASN 21 -7.100 -5.198 1.241
149 HD22 ASN 21 HD21 ASN 21 -8.650 -4.383 1.374
150 H1 PHE 1 H1 PHE 1 16.158 -4.087 -4.105
151 H2 PHE 1 H2 PHE 1 17.319 -4.896 -4.935
152 H3 PHE 1 H3 PHE 1 16.592 -5.598 -3.640
153 HA PHE 1 HA PHE 1 15.282 -4.873 -6.170
154 HB2 PHE 1 HB2 PHE 1 16.825 -6.826 -6.358
155 HB3 PHE 1 HB3 PHE 1 15.934 -7.643 -5.080
156 HD1 PHE 1 HD2 PHE 1 15.414 -6.015 -8.449
157 HD2 PHE 1 HD1 PHE 1 14.189 -9.127 -5.714
158 HE1 PHE 1 HE2 PHE 1 13.803 -6.873 -10.134
159 HE2 PHE 1 HE1 PHE 1 12.607 -9.994 -7.415
160 HZ PHE 1 HZ PHE 1 12.397 -8.857 -9.619
161 H VAL 2 H VAL 2 13.044 -5.877 -6.332
162 HA VAL 2 HA VAL 2 10.924 -6.161 -5.686
163 HB VAL 2 HB VAL 2 11.675 -6.254 -2.731
164 HG11 VAL 2 HG11 VAL 2 9.261 -5.952 -3.197
165 HG12 VAL 2 HG12 VAL 2 9.295 -7.370 -4.262
166 HG13 VAL 2 HG13 VAL 2 9.598 -7.548 -2.522
167 HG21 VAL 2 HG21 VAL 2 11.589 -8.749 -2.985
168 HG22 VAL 2 HG22 VAL 2 11.495 -8.560 -4.745
169 HG23 VAL 2 HG23 VAL 2 12.951 -8.054 -3.852
170 H ASN 3 H ASN 3 12.817 -3.830 -3.830
171 HA ASN 3 HA ASN 3 10.739 -1.875 -3.451
172 HB2 ASN 3 HB2 ASN 3 12.505 -0.474 -2.694
173 HB3 ASN 3 HB3 ASN 3 12.782 -2.077 -2.066
174 HD21 ASN 3 HD21 ASN 3 14.346 0.540 -3.485
175 HD22 ASN 3 HD22 ASN 3 15.727 -0.319 -4.138
176 H GLN 4 H GLN 4 10.024 -0.242 -4.810
177 HA GLN 4 HA GLN 4 11.572 0.819 -7.027
178 HB2 GLN 4 HB2 GLN 4 10.438 -1.534 -7.747
179 HB3 GLN 4 HB3 GLN 4 9.002 -0.534 -7.883
180 HG2 GLN 4 HG2 GLN 4 10.440 0.985 -9.449
181 HG3 GLN 4 HG3 GLN 4 11.625 -0.316 -9.415
182 HE21 GLN 4 HE21 GLN 4 8.219 0.502 -10.304
183 HE22 GLN 4 HE22 GLN 4 8.096 -0.790 -11.500
184 H HIS 5 H HIS 5 10.158 2.407 -8.347
185 HA HIS 5 HA HIS 5 8.083 3.737 -6.690
186 HB2 HIS 5 HB2 HIS 5 9.267 4.401 -9.427
187 HB3 HIS 5 HB3 HIS 5 8.055 5.350 -8.590
188 HD1 HIS 5 HD1 HIS 5 8.973 6.394 -6.105
189 HD2 HIS 5 HD2 HIS 5 11.746 5.080 -8.976
190 HE1 HIS 5 HE1 HIS 5 11.141 7.641 -5.617
191 H LEU 6 H LEU 6 5.901 3.789 -7.444
192 HA LEU 6 HA LEU 6 5.076 2.528 -9.979
193 HB2 LEU 6 HB2 LEU 6 4.237 1.511 -7.227
194 HB3 LEU 6 HB3 LEU 6 3.276 1.226 -8.667
195 HG LEU 6 HG LEU 6 6.122 0.214 -8.334
196 HD11 LEU 6 HD11 LEU 6 4.648 -0.790 -6.672
197 HD12 LEU 6 HD12 LEU 6 5.039 -1.974 -7.927
198 HD13 LEU 6 HD13 LEU 6 3.451 -1.174 -7.919
199 HD21 LEU 6 HD21 LEU 6 5.423 0.450 -10.711
200 HD22 LEU 6 HD22 LEU 6 3.933 -0.451 -10.359
201 HD23 LEU 6 HD23 LEU 6 5.517 -1.254 -10.243
202 H CYS 7 HN CYS 7 3.180 3.499 -10.775
203 HA CYS 7 HA CYS 7 1.598 5.218 -8.941
204 HB2 CYS 7 HB2 CYS 7 3.646 6.428 -9.986
205 HB3 CYS 7 HB3 CYS 7 2.753 6.373 -11.494
206 H GLY 8 H GLY 8 -0.473 5.638 -9.556
207 HA2 GLY 8 HA2 GLY 8 -2.518 5.316 -10.604
208 HA3 GLY 8 HA3 GLY 8 -1.599 5.779 -12.035
209 H SER 9 H SER 9 -2.152 4.491 -13.661
210 HA SER 9 HA SER 9 -3.259 1.919 -13.574
211 HB2 SER 9 HB2 SER 9 -1.539 3.109 -15.781
212 HB3 SER 9 HB3 SER 9 -2.748 1.816 -15.946
213 HG SER 9 HG SER 9 -3.576 3.894 -16.554
214 H HIS 10 H HIS 10 0.229 2.765 -13.513
215 HA HIS 10 HA HIS 10 1.077 -0.005 -13.994
216 HB2 HIS 10 HB2 HIS 10 2.405 2.059 -14.569
217 HB3 HIS 10 HB3 HIS 10 2.672 2.315 -12.848
218 HD1 HIS 10 HD1 HIS 10 3.072 -1.183 -12.783
219 HD2 HIS 10 HD2 HIS 10 5.175 1.942 -14.649
220 HE1 HIS 10 HE1 HIS 10 5.404 -2.088 -13.283
221 H LEU 11 H LEU 11 0.464 2.003 -11.118
222 HA LEU 11 HA LEU 11 1.337 -0.002 -9.205
223 HB2 LEU 11 HB2 LEU 11 1.249 2.385 -8.689
224 HB3 LEU 11 HB3 LEU 11 -0.484 2.442 -8.984
225 HG LEU 11 HG LEU 11 -0.952 1.146 -7.006
226 HD11 LEU 11 HD11 LEU 11 0.971 -0.414 -6.933
227 HD12 LEU 11 HD12 LEU 11 0.788 0.454 -5.409
228 HD13 LEU 11 HD13 LEU 11 2.058 0.934 -6.546
229 HD21 LEU 11 HD21 LEU 11 1.173 3.282 -6.469
230 HD22 LEU 11 HD22 LEU 11 -0.071 2.757 -5.329
231 HD23 LEU 11 HD23 LEU 11 -0.527 3.610 -6.819
232 H VAL 12 H VAL 12 -1.845 0.884 -10.563
233 HA VAL 12 HA VAL 12 -3.395 -1.151 -9.285
234 HB VAL 12 HB VAL 12 -3.742 0.310 -11.918
235 HG11 VAL 12 HG11 VAL 12 -4.977 -1.759 -12.239
236 HG12 VAL 12 HG12 VAL 12 -5.679 -1.643 -10.603
237 HG13 VAL 12 HG13 VAL 12 -6.128 -0.478 -11.869
238 HG21 VAL 12 HG21 VAL 12 -3.963 1.619 -9.787
239 HG22 VAL 12 HG22 VAL 12 -5.470 1.532 -10.699
240 HG23 VAL 12 HG23 VAL 12 -5.236 0.502 -9.268
241 H GLU 13 H GLU 13 -1.622 -1.273 -12.447
242 HA GLU 13 HA GLU 13 -2.251 -3.993 -13.026
243 HB2 GLU 13 HB2 GLU 13 -1.391 -2.369 -14.658
244 HB3 GLU 13 HB3 GLU 13 0.175 -2.338 -13.833
245 HG2 GLU 13 HG2 GLU 13 0.526 -4.710 -14.385
246 HG3 GLU 13 HG3 GLU 13 -1.099 -4.817 -15.075
247 H ALA 14 H ALA 14 0.566 -2.586 -11.234
248 HA ALA 14 HA ALA 14 1.871 -5.067 -10.741
249 HB1 ALA 14 HB1 ALA 14 1.877 -2.477 -9.129
250 HB2 ALA 14 HB2 ALA 14 3.065 -3.794 -8.993
251 HB3 ALA 14 HB3 ALA 14 2.954 -2.862 -10.495
252 H LEU 15 H LEU 15 -0.559 -3.286 -8.762
253 HA LEU 15 HA LEU 15 -0.795 -5.134 -6.613
254 HB2 LEU 15 HB2 LEU 15 -2.710 -3.208 -7.968
255 HB3 LEU 15 HB3 LEU 15 -3.253 -4.237 -6.660
256 HG LEU 15 HG LEU 15 -0.846 -2.465 -6.264
257 HD11 LEU 15 HD11 LEU 15 -2.346 -0.740 -5.318
258 HD12 LEU 15 HD12 LEU 15 -3.761 -1.691 -5.804
259 HD13 LEU 15 HD13 LEU 15 -2.687 -0.989 -7.035
260 HD21 LEU 15 HD21 LEU 15 -2.991 -3.455 -4.316
261 HD22 LEU 15 HD22 LEU 15 -1.465 -2.652 -3.906
262 HD23 LEU 15 HD23 LEU 15 -1.458 -4.293 -4.586
263 H TYR 16 H TYR 16 -2.615 -5.129 -9.734
264 HA TYR 16 HA TYR 16 -4.030 -7.570 -9.188
265 HB2 TYR 16 HB2 TYR 16 -3.237 -6.210 -11.782
266 HB3 TYR 16 HB3 TYR 16 -4.148 -7.702 -11.753
267 HD1 TYR 16 HD1 TYR 16 -6.189 -7.472 -9.742
268 HD2 TYR 16 HD2 TYR 16 -4.686 -4.496 -12.473
269 HE1 TYR 16 HE1 TYR 16 -8.389 -6.325 -9.704
270 HE2 TYR 16 HE2 TYR 16 -6.895 -3.368 -12.457
271 HH TYR 16 HH TYR 16 -9.040 -3.381 -11.647
272 H LEU 17 H LEU 17 -0.913 -7.114 -10.937
273 HA LEU 17 HA LEU 17 -0.553 -9.914 -11.497
274 HB2 LEU 17 HB2 LEU 17 1.385 -7.565 -11.341
275 HB3 LEU 17 HB3 LEU 17 1.872 -9.173 -11.858
276 HG LEU 17 HG LEU 17 -0.265 -7.519 -13.280
277 HD11 LEU 17 HD11 LEU 17 1.467 -7.124 -14.982
278 HD12 LEU 17 HD12 LEU 17 2.663 -8.005 -14.000
279 HD13 LEU 17 HD13 LEU 17 1.972 -6.472 -13.416
280 HD21 LEU 17 HD21 LEU 17 -0.585 -9.919 -13.679
281 HD22 LEU 17 HD22 LEU 17 1.142 -10.109 -14.069
282 HD23 LEU 17 HD23 LEU 17 0.084 -9.147 -15.123
283 H VAL 18 H VAL 18 0.644 -7.926 -8.782
284 HA VAL 18 HA VAL 18 2.199 -10.088 -7.643
285 HB VAL 18 HB VAL 18 1.298 -7.398 -6.563
286 HG11 VAL 18 HG11 VAL 18 3.087 -9.423 -5.162
287 HG12 VAL 18 HG12 VAL 18 2.913 -7.711 -4.713
288 HG13 VAL 18 HG13 VAL 18 1.522 -8.782 -4.598
289 HG21 VAL 18 HG21 VAL 18 3.052 -7.430 -8.368
290 HG22 VAL 18 HG22 VAL 18 3.706 -6.879 -6.822
291 HG23 VAL 18 HG23 VAL 18 4.025 -8.533 -7.381
292 H CYS 19 HN CYS 19 -1.058 -8.750 -6.853
293 HA CYS 19 HA CYS 19 -1.311 -10.584 -4.588
294 HB2 CYS 19 HB2 CYS 19 -3.266 -8.593 -5.786
295 HB3 CYS 19 HB3 CYS 19 -3.429 -9.430 -4.243
296 H GLY 20 H GLY 20 -2.435 -10.686 -7.924
297 HA2 GLY 20 HA2 GLY 20 -3.581 -12.337 -9.081
298 HA3 GLY 20 HA3 GLY 20 -2.799 -13.409 -7.928
299 H GLU 21 H GLU 21 -3.958 -14.418 -6.417
300 HA GLU 21 HA GLU 21 -6.860 -14.571 -6.798
301 HB2 GLU 21 HB2 GLU 21 -6.741 -16.577 -5.482
302 HB3 GLU 21 HB3 GLU 21 -5.551 -16.617 -6.768
303 HG2 GLU 21 HG2 GLU 21 -4.841 -15.882 -3.894
304 HG3 GLU 21 HG3 GLU 21 -4.875 -17.537 -4.478
305 H ARG 22 H ARG 22 -4.797 -12.950 -4.525
306 HA ARG 22 HA ARG 22 -6.631 -12.951 -2.256
307 HB2 ARG 22 HB2 ARG 22 -4.163 -11.376 -3.019
308 HB3 ARG 22 HB3 ARG 22 -5.211 -10.758 -1.766
309 HG2 ARG 22 HG2 ARG 22 -3.409 -11.992 -0.778
310 HG3 ARG 22 HG3 ARG 22 -4.966 -12.717 -0.411
311 HD2 ARG 22 HD2 ARG 22 -3.279 -14.435 -0.814
312 HD3 ARG 22 HD3 ARG 22 -4.592 -14.534 -1.967
313 HE ARG 22 HE ARG 22 -3.055 -14.278 -3.661
314 HH11 ARG 22 HH21 ARG 22 -1.466 -12.797 -0.850
315 HH12 ARG 22 HH22 ARG 22 0.016 -12.570 -1.762
316 HH21 ARG 22 HH11 ARG 22 -1.253 -14.030 -4.655
317 HH22 ARG 22 HH12 ARG 22 0.142 -13.245 -3.909
318 H GLY 23 H GLY 23 -6.345 -10.993 -5.173
319 HA2 GLY 23 HA2 GLY 23 -7.872 -9.471 -6.093
320 HA3 GLY 23 HA3 GLY 23 -8.836 -9.500 -4.605
321 H PHE 24 H PHE 24 -7.724 -7.245 -6.305
322 HA PHE 24 HA PHE 24 -5.701 -6.006 -4.627
323 HB2 PHE 24 HB2 PHE 24 -5.323 -4.577 -6.279
324 HB3 PHE 24 HB3 PHE 24 -5.937 -5.910 -7.224
325 HD1 PHE 24 HD2 PHE 24 -8.974 -5.405 -6.815
326 HD2 PHE 24 HD1 PHE 24 -5.677 -2.740 -7.650
327 HE1 PHE 24 HE2 PHE 24 -10.541 -3.769 -7.817
328 HE2 PHE 24 HE1 PHE 24 -7.255 -1.118 -8.666
329 HZ PHE 24 HZ PHE 24 -9.684 -1.619 -8.739
330 H PHE 25 H PHE 25 -5.897 -3.561 -4.232
331 HA PHE 25 HA PHE 25 -8.461 -2.698 -3.110
332 HB2 PHE 25 HB2 PHE 25 -7.371 -4.394 -1.507
333 HB3 PHE 25 HB3 PHE 25 -6.110 -3.202 -1.253
334 HD1 PHE 25 HD1 PHE 25 -9.861 -3.552 -1.232
335 HD2 PHE 25 HD2 PHE 25 -6.398 -1.788 0.640
336 HE1 PHE 25 HE1 PHE 25 -11.297 -2.678 0.595
337 HE2 PHE 25 HE2 PHE 25 -7.840 -0.901 2.459
338 HZ PHE 25 HZ PHE 25 -10.292 -1.346 2.439
339 H TYR 26 H TYR 26 -6.936 -1.544 -5.146
340 HA TYR 26 HA TYR 26 -5.016 0.372 -4.395
341 HB2 TYR 26 HB2 TYR 26 -5.429 -0.282 -6.712
342 HB3 TYR 26 HB3 TYR 26 -7.057 0.380 -6.644
343 HD1 TYR 26 HD1 TYR 26 -3.513 1.523 -6.004
344 HD2 TYR 26 HD2 TYR 26 -7.394 2.474 -7.619
345 HE1 TYR 26 HE1 TYR 26 -2.685 3.754 -6.708
346 HE2 TYR 26 HE2 TYR 26 -6.543 4.686 -8.370
347 HH TYR 26 HH TYR 26 -4.740 6.126 -8.430
348 H THR 27 H THR 27 -5.001 2.470 -3.761
349 HA THR 27 HA THR 27 -7.537 3.953 -3.334
350 HB THR 27 HB THR 27 -5.426 3.670 -1.178
351 HG1 THR 27 HG1 THR 27 -7.097 2.534 -0.135
352 HG21 THR 27 HG21 THR 27 -8.201 4.957 -1.153
353 HG22 THR 27 HG22 THR 27 -6.684 5.864 -1.143
354 HG23 THR 27 HG23 THR 27 -7.103 4.820 0.227
355 HA PRO 28 HA PRO 28 -4.849 7.058 -5.340
356 HB2 PRO 28 HB2 PRO 28 -7.376 8.588 -4.698
357 HB3 PRO 28 HB3 PRO 28 -6.348 8.682 -6.167
358 HG2 PRO 28 HG2 PRO 28 -8.627 7.234 -6.216
359 HG3 PRO 28 HG3 PRO 28 -7.128 6.555 -6.932
360 HD2 PRO 28 HD2 PRO 28 -8.361 5.978 -4.242
361 HD3 PRO 28 HD3 PRO 28 -7.640 4.848 -5.419
362 H LYS 29 H LYS 29 -4.565 9.535 -4.784
363 HA LYS 29 HA LYS 29 -3.103 9.852 -2.447
364 HB2 LYS 29 HB2 LYS 29 -4.592 11.883 -4.166
365 HB3 LYS 29 HB3 LYS 29 -3.466 12.338 -2.888
366 HG2 LYS 29 HG2 LYS 29 -1.636 11.127 -4.016
367 HG3 LYS 29 HG3 LYS 29 -2.734 10.636 -5.311
368 HD2 LYS 29 HD2 LYS 29 -3.082 12.885 -6.039
369 HD3 LYS 29 HD3 LYS 29 -2.246 13.566 -4.631
370 HE2 LYS 29 HE2 LYS 29 -0.809 11.671 -6.528
371 HE3 LYS 29 HE3 LYS 29 -1.007 13.374 -6.955
372 HZ1 LYS 29 HZ1 LYS 29 0.157 14.010 -4.971
373 HZ2 LYS 29 HZ2 LYS 29 1.091 12.934 -5.770
374 HZ3 LYS 29 HZ3 LYS 29 0.272 12.487 -4.414
375 H THR 30 H THR 30 -6.463 10.950 -2.901
376 HA THR 30 HA THR 30 -6.902 11.082 0.055
377 HB THR 30 HB THR 30 -8.514 12.957 -0.461
378 HG1 THR 30 HG1 THR 30 -8.556 12.650 -2.729
379 HG21 THR 30 HG21 THR 30 -6.297 13.357 0.577
380 HG22 THR 30 HG22 THR 30 -6.784 14.692 -0.483
381 HG23 THR 30 HG23 THR 30 -5.569 13.525 -1.038
382 H LYS 31 H LYS 31 -8.033 9.421 0.444
383 HA LYS 31 HA LYS 31 -9.483 7.674 0.349
384 HB2 LYS 31 HB2 LYS 31 -11.816 8.272 0.445
385 HB3 LYS 31 HB3 LYS 31 -10.817 9.367 1.374
386 HG2 LYS 31 HG2 LYS 31 -11.023 11.122 -0.309
387 HG3 LYS 31 HG3 LYS 31 -11.925 10.041 -1.388
388 HD2 LYS 31 HD2 LYS 31 -13.725 9.865 0.312
389 HD3 LYS 31 HD3 LYS 31 -12.804 10.936 1.392
390 HE2 LYS 31 HE2 LYS 31 -12.899 12.738 -0.324
391 HE3 LYS 31 HE3 LYS 31 -13.812 11.672 -1.398
392 HZ1 LYS 31 HZ1 LYS 31 -14.733 12.607 1.267
393 HZ2 LYS 31 HZ2 LYS 31 -15.583 11.623 0.274
394 HZ3 LYS 31 HZ3 LYS 31 -15.274 13.164 -0.168
395 H ARG 32 H ARG 32 -11.989 7.758 -1.478
396 HA ARG 32 HA ARG 32 -10.773 6.804 -4.030
397 HB2 ARG 32 HB2 ARG 32 -12.805 5.288 -2.321
398 HB3 ARG 32 HB3 ARG 32 -12.370 4.877 -3.985
399 HG2 ARG 32 HG2 ARG 32 -10.016 4.508 -3.287
400 HG3 ARG 32 HG3 ARG 32 -10.471 4.857 -1.604
401 HD2 ARG 32 HD2 ARG 32 -12.050 2.977 -1.618
402 HD3 ARG 32 HD3 ARG 32 -11.624 2.608 -3.302
403 HE ARG 32 HE ARG 32 -9.183 2.497 -2.120
404 HH11 ARG 32 HH11 ARG 32 -12.174 0.896 -1.189
405 HH12 ARG 32 HH12 ARG 32 -11.300 -0.441 -0.486
406 HH21 ARG 32 HH21 ARG 32 -8.195 0.821 -1.242
407 HH22 ARG 32 HH22 ARG 32 -9.096 -0.459 -0.463
Start of MODEL 22
1 H1 GLY 1 1H GLY 1 -3.694 5.447 -0.471
2 H2 GLY 1 2H GLY 1 -3.109 6.095 0.910
3 H3 GLY 1 3H GLY 1 -4.532 5.252 0.919
4 HA2 GLY 1 HA2 GLY 1 -2.839 3.869 1.864
5 HA3 GLY 1 HA3 GLY 1 -3.402 3.213 0.318
6 H ILE 2 H ILE 2 -1.770 2.641 -1.080
7 HA ILE 2 HA ILE 2 0.989 3.498 -0.489
8 HB ILE 2 HB ILE 2 1.614 1.940 -2.313
9 HG12 ILE 2 HG12 ILE 2 -0.746 2.030 -3.434
10 HG13 ILE 2 HG13 ILE 2 0.266 0.606 -3.512
11 HG21 ILE 2 HG21 ILE 2 1.763 1.312 -0.006
12 HG22 ILE 2 HG22 ILE 2 0.070 0.796 0.015
13 HG23 ILE 2 HG23 ILE 2 1.257 -0.081 -0.975
14 HD11 ILE 2 HD11 ILE 2 -2.121 0.090 -3.102
15 HD12 ILE 2 HD12 ILE 2 -1.041 -0.567 -1.867
16 HD13 ILE 2 HD13 ILE 2 -2.009 0.883 -1.518
17 H VAL 3 H VAL 3 -1.361 4.680 -2.719
18 HA VAL 3 HA VAL 3 0.304 5.242 -4.967
19 HB VAL 3 HB VAL 3 -2.065 6.930 -4.036
20 HG11 VAL 3 HG11 VAL 3 -0.787 7.970 -5.880
21 HG12 VAL 3 HG12 VAL 3 -0.917 6.465 -6.821
22 HG13 VAL 3 HG13 VAL 3 -2.367 7.417 -6.438
23 HG21 VAL 3 HG21 VAL 3 -2.078 4.397 -5.725
24 HG22 VAL 3 HG22 VAL 3 -2.832 4.619 -4.133
25 HG23 VAL 3 HG23 VAL 3 -3.448 5.502 -5.535
26 H GLU 4 H GLU 4 -0.462 7.129 -2.080
27 HA GLU 4 HA GLU 4 1.019 9.473 -2.738
28 HB2 GLU 4 HB2 GLU 4 0.372 8.544 0.090
29 HB3 GLU 4 HB3 GLU 4 0.526 10.186 -0.527
30 HG2 GLU 4 HG2 GLU 4 -1.738 10.100 -0.416
31 HG3 GLU 4 HG3 GLU 4 -1.568 9.436 -2.035
32 H GLN 5 H GLN 5 2.232 6.432 -1.894
33 HA GLN 5 HA GLN 5 4.850 7.587 -0.998
34 HB2 GLN 5 HB2 GLN 5 3.896 5.899 0.531
35 HB3 GLN 5 HB3 GLN 5 3.774 4.736 -0.797
36 HG2 GLN 5 HG2 GLN 5 6.266 4.856 -1.090
37 HG3 GLN 5 HG3 GLN 5 6.360 5.952 0.294
38 HE21 GLN 5 HE21 GLN 5 7.665 3.325 0.069
39 HE22 GLN 5 HE22 GLN 5 6.913 2.320 1.336
40 H CYS 6 HN CYS 6 3.527 4.906 -3.057
41 HA CYS 6 HA CYS 6 5.909 4.326 -4.377
42 HB2 CYS 6 HB2 CYS 6 3.030 4.086 -5.329
43 HB3 CYS 6 HB3 CYS 6 4.404 3.314 -6.099
44 H CYS 7 HN CYS 7 3.590 6.895 -5.302
45 HA CYS 7 HA CYS 7 4.682 7.200 -7.983
46 HB2 CYS 7 HB2 CYS 7 2.885 8.958 -6.287
47 HB3 CYS 7 HB3 CYS 7 3.302 9.301 -7.965
48 H THR 8 H THR 8 5.709 8.446 -4.908
49 HA THR 8 HA THR 8 7.421 10.566 -6.191
50 HB THR 8 HB THR 8 7.108 11.823 -4.055
51 HG1 THR 8 HG1 THR 8 5.379 11.148 -2.725
52 HG21 THR 8 HG21 THR 8 4.866 12.655 -4.530
53 HG22 THR 8 HG22 THR 8 4.463 11.195 -5.452
54 HG23 THR 8 HG23 THR 8 5.693 12.323 -6.064
55 H SER 9 H SER 9 7.111 8.325 -3.482
56 HA SER 9 HA SER 9 10.078 8.240 -3.065
57 HB2 SER 9 HB2 SER 9 7.759 7.312 -1.313
58 HB3 SER 9 HB3 SER 9 9.473 7.134 -0.919
59 HG SER 9 HG SER 9 8.105 9.612 -1.339
60 H ILE 10 H ILE 10 10.684 5.880 -2.284
61 HA ILE 10 HA ILE 10 9.867 3.971 -4.406
62 HB ILE 10 HB ILE 10 12.019 3.989 -2.268
63 HG12 ILE 10 HG12 ILE 10 12.106 3.982 -5.325
64 HG13 ILE 10 HG13 ILE 10 12.378 5.383 -4.286
65 HG21 ILE 10 HG21 ILE 10 11.233 1.664 -2.434
66 HG22 ILE 10 HG22 ILE 10 11.427 1.722 -4.202
67 HG23 ILE 10 HG23 ILE 10 12.832 1.839 -3.117
68 HD11 ILE 10 HD11 ILE 10 14.378 4.230 -3.301
69 HD12 ILE 10 HD12 ILE 10 14.184 2.958 -4.538
70 HD13 ILE 10 HD13 ILE 10 14.504 4.628 -5.027
71 H CYS 11 HN CYS 11 8.831 2.053 -4.080
72 HA CYS 11 HA CYS 11 8.023 1.264 -1.352
73 HB2 CYS 11 HB2 CYS 11 5.734 1.008 -1.861
74 HB3 CYS 11 HB3 CYS 11 6.178 2.631 -2.360
75 H SER 12 H SER 12 6.726 -1.029 -1.739
76 HA SER 12 HA SER 12 8.483 -2.737 -3.446
77 HB2 SER 12 HB2 SER 12 8.988 -4.178 -1.566
78 HB3 SER 12 HB3 SER 12 9.532 -2.535 -1.195
79 HG SER 12 HG SER 12 8.369 -3.607 0.550
80 H LEU 13 H LEU 13 7.746 -4.938 -3.681
81 HA LEU 13 HA LEU 13 4.903 -5.192 -4.045
82 HB2 LEU 13 HB2 LEU 13 6.993 -7.391 -3.854
83 HB3 LEU 13 HB3 LEU 13 5.393 -7.509 -4.580
84 HG LEU 13 HG LEU 13 7.786 -5.938 -5.608
85 HD11 LEU 13 HD11 LEU 13 7.654 -7.473 -7.506
86 HD12 LEU 13 HD12 LEU 13 6.207 -8.243 -6.817
87 HD13 LEU 13 HD13 LEU 13 7.772 -8.389 -5.993
88 HD21 LEU 13 HD21 LEU 13 5.802 -4.566 -6.103
89 HD22 LEU 13 HD22 LEU 13 4.991 -5.982 -6.816
90 HD23 LEU 13 HD23 LEU 13 6.443 -5.299 -7.573
91 H TYR 14 H TYR 14 7.028 -6.000 -1.318
92 HA TYR 14 HA TYR 14 5.102 -7.439 0.250
93 HB2 TYR 14 HB2 TYR 14 7.525 -7.447 0.671
94 HB3 TYR 14 HB3 TYR 14 7.493 -5.731 1.045
95 HD1 TYR 14 HD2 TYR 14 6.170 -9.055 2.154
96 HD2 TYR 14 HD1 TYR 14 7.032 -4.978 3.262
97 HE1 TYR 14 HE2 TYR 14 5.698 -9.603 4.543
98 HE2 TYR 14 HE1 TYR 14 6.565 -5.518 5.640
99 HH TYR 14 HH TYR 14 5.952 -7.146 7.149
100 H GLN 15 H GLN 15 5.652 -3.954 -0.187
101 HA GLN 15 HA GLN 15 3.644 -3.187 1.838
102 HB2 GLN 15 HB2 GLN 15 5.230 -1.639 -0.242
103 HB3 GLN 15 HB3 GLN 15 3.984 -0.896 0.767
104 HG2 GLN 15 HG2 GLN 15 5.162 -1.417 2.805
105 HG3 GLN 15 HG3 GLN 15 6.320 -2.444 1.969
106 HE21 GLN 15 HE21 GLN 15 7.843 -1.381 0.427
107 HE22 GLN 15 HE22 GLN 15 8.378 0.246 0.852
108 H LEU 16 H LEU 16 3.616 -3.889 -1.660
109 HA LEU 16 HA LEU 16 0.857 -3.010 -2.018
110 HB2 LEU 16 HB2 LEU 16 2.501 -5.031 -3.602
111 HB3 LEU 16 HB3 LEU 16 0.947 -4.382 -4.065
112 HG LEU 16 HG LEU 16 3.605 -2.919 -3.907
113 HD11 LEU 16 HD11 LEU 16 3.221 -2.546 -6.297
114 HD12 LEU 16 HD12 LEU 16 1.665 -3.400 -6.203
115 HD13 LEU 16 HD13 LEU 16 3.183 -4.277 -5.924
116 HD21 LEU 16 HD21 LEU 16 2.490 -0.878 -4.667
117 HD22 LEU 16 HD22 LEU 16 1.930 -1.334 -3.062
118 HD23 LEU 16 HD23 LEU 16 0.901 -1.656 -4.482
119 H GLU 17 H GLU 17 2.327 -6.188 -1.255
120 HA GLU 17 HA GLU 17 0.027 -7.765 -1.093
121 HB2 GLU 17 HB2 GLU 17 2.568 -7.824 0.569
122 HB3 GLU 17 HB3 GLU 17 1.256 -8.969 0.824
123 HG2 GLU 17 HG2 GLU 17 1.396 -9.642 -1.579
124 HG3 GLU 17 HG3 GLU 17 2.843 -8.640 -1.734
125 H ASN 18 H ASN 18 1.091 -5.352 1.300
126 HA ASN 18 HA ASN 18 -0.591 -6.094 3.447
127 HB2 ASN 18 HB2 ASN 18 1.338 -4.511 3.517
128 HB3 ASN 18 HB3 ASN 18 0.353 -3.328 2.648
129 HD21 ASN 18 HD21 ASN 18 0.337 -5.346 5.656
130 HD22 ASN 18 HD22 ASN 18 -0.521 -4.151 6.610
131 H TYR 19 H TYR 19 -1.449 -4.584 0.430
132 HA TYR 19 HA TYR 19 -4.195 -3.933 1.413
133 HB2 TYR 19 HB2 TYR 19 -2.531 -2.798 -0.853
134 HB3 TYR 19 HB3 TYR 19 -4.264 -2.544 -0.701
135 HD1 TYR 19 HD1 TYR 19 -5.249 -1.426 1.290
136 HD2 TYR 19 HD2 TYR 19 -0.999 -1.536 0.596
137 HE1 TYR 19 HE1 TYR 19 -4.956 0.497 2.841
138 HE2 TYR 19 HE2 TYR 19 -0.693 0.363 2.182
139 HH TYR 19 HH TYR 19 -3.468 1.928 3.848
140 H CYS 20 HN CYS 20 -2.832 -6.571 0.147
141 HA CYS 20 HA CYS 20 -4.928 -7.176 -1.868
142 HB2 CYS 20 HB2 CYS 20 -2.782 -8.918 -0.629
143 HB3 CYS 20 HB3 CYS 20 -3.897 -9.405 -1.908
144 H ASN 21 H ASN 21 -6.578 -8.646 -1.580
145 HA ASN 21 HA ASN 21 -7.722 -8.996 1.091
146 HB2 ASN 21 HB2 ASN 21 -8.449 -10.232 -1.595
147 HB3 ASN 21 HB3 ASN 21 -9.443 -10.309 -0.152
148 HD21 ASN 21 HD21 ASN 21 -9.718 -9.044 -2.963
149 HD22 ASN 21 HD22 ASN 21 -10.360 -7.443 -2.565
150 H1 PHE 1 H1 PHE 1 15.501 -3.874 -2.162
151 H2 PHE 1 H2 PHE 1 16.715 -4.389 -3.127
152 H3 PHE 1 H3 PHE 1 16.951 -4.351 -1.523
153 HA PHE 1 HA PHE 1 16.590 -6.572 -2.227
154 HB2 PHE 1 HB2 PHE 1 15.306 -7.374 -0.586
155 HB3 PHE 1 HB3 PHE 1 15.910 -5.862 0.039
156 HD1 PHE 1 HD1 PHE 1 14.286 -3.775 0.063
157 HD2 PHE 1 HD2 PHE 1 12.998 -7.866 -0.535
158 HE1 PHE 1 HE1 PHE 1 11.947 -3.138 0.600
159 HE2 PHE 1 HE2 PHE 1 10.668 -7.216 0.004
160 HZ PHE 1 HZ PHE 1 10.160 -4.853 0.582
161 H VAL 2 H VAL 2 13.128 -5.544 -2.345
162 HA VAL 2 HA VAL 2 13.076 -5.843 -5.291
163 HB VAL 2 HB VAL 2 11.073 -7.293 -3.487
164 HG11 VAL 2 HG11 VAL 2 10.163 -8.147 -5.642
165 HG12 VAL 2 HG12 VAL 2 10.063 -6.380 -5.589
166 HG13 VAL 2 HG13 VAL 2 11.331 -7.181 -6.534
167 HG21 VAL 2 HG21 VAL 2 11.911 -9.381 -4.540
168 HG22 VAL 2 HG22 VAL 2 13.230 -8.459 -5.282
169 HG23 VAL 2 HG23 VAL 2 13.113 -8.610 -3.508
170 H ASN 3 H ASN 3 12.883 -3.661 -5.387
171 HA ASN 3 HA ASN 3 10.410 -2.333 -4.566
172 HB2 ASN 3 HB2 ASN 3 11.598 -0.706 -3.072
173 HB3 ASN 3 HB3 ASN 3 11.577 -2.340 -2.443
174 HD21 ASN 3 HD21 ASN 3 13.711 0.206 -3.785
175 HD22 ASN 3 HD22 ASN 3 15.188 -0.617 -3.332
176 H GLN 4 H GLN 4 10.171 -0.187 -5.330
177 HA GLN 4 HA GLN 4 11.984 1.259 -6.994
178 HB2 GLN 4 HB2 GLN 4 10.602 -1.012 -8.274
179 HB3 GLN 4 HB3 GLN 4 10.109 0.480 -9.009
180 HG2 GLN 4 HG2 GLN 4 13.022 -0.381 -8.717
181 HG3 GLN 4 HG3 GLN 4 12.013 -0.637 -10.131
182 HE21 GLN 4 HE21 GLN 4 14.022 0.599 -11.047
183 HE22 GLN 4 HE22 GLN 4 13.833 2.346 -11.103
184 H HIS 5 H HIS 5 10.579 2.810 -8.489
185 HA HIS 5 HA HIS 5 8.341 3.949 -6.908
186 HB2 HIS 5 HB2 HIS 5 9.642 4.798 -9.545
187 HB3 HIS 5 HB3 HIS 5 8.384 5.680 -8.687
188 HD1 HIS 5 HD1 HIS 5 9.202 6.542 -6.090
189 HD2 HIS 5 HD2 HIS 5 12.094 5.484 -8.957
190 HE1 HIS 5 HE1 HIS 5 11.347 7.752 -5.428
191 H LEU 6 H LEU 6 6.214 4.002 -7.720
192 HA LEU 6 HA LEU 6 5.476 2.775 -10.297
193 HB2 LEU 6 HB2 LEU 6 4.584 1.691 -7.585
194 HB3 LEU 6 HB3 LEU 6 3.691 1.392 -9.065
195 HG LEU 6 HG LEU 6 6.546 0.465 -8.603
196 HD11 LEU 6 HD11 LEU 6 5.496 -1.775 -8.298
197 HD12 LEU 6 HD12 LEU 6 3.896 -0.997 -8.331
198 HD13 LEU 6 HD13 LEU 6 5.042 -0.621 -7.031
199 HD21 LEU 6 HD21 LEU 6 5.996 0.691 -11.003
200 HD22 LEU 6 HD22 LEU 6 4.486 -0.214 -10.761
201 HD23 LEU 6 HD23 LEU 6 6.059 -1.015 -10.561
202 H CYS 7 HN CYS 7 3.672 3.803 -11.151
203 HA CYS 7 HA CYS 7 1.771 5.094 -9.303
204 HB2 CYS 7 HB2 CYS 7 3.740 6.664 -10.021
205 HB3 CYS 7 HB3 CYS 7 2.910 6.739 -11.568
206 H GLY 8 H GLY 8 -0.221 5.701 -10.211
207 HA2 GLY 8 HA2 GLY 8 -2.118 5.404 -11.509
208 HA3 GLY 8 HA3 GLY 8 -1.008 5.694 -12.850
209 H SER 9 H SER 9 -1.584 4.318 -14.386
210 HA SER 9 HA SER 9 -2.742 1.802 -14.230
211 HB2 SER 9 HB2 SER 9 -0.711 2.722 -16.299
212 HB3 SER 9 HB3 SER 9 -1.957 1.477 -16.506
213 HG SER 9 HG SER 9 -2.619 3.504 -17.392
214 H HIS 10 H HIS 10 0.800 2.519 -14.037
215 HA HIS 10 HA HIS 10 1.448 -0.323 -14.214
216 HB2 HIS 10 HB2 HIS 10 2.842 1.696 -15.002
217 HB3 HIS 10 HB3 HIS 10 3.328 1.871 -13.314
218 HD1 HIS 10 HD1 HIS 10 3.017 -1.392 -15.469
219 HD2 HIS 10 HD2 HIS 10 5.799 0.989 -13.380
220 HE1 HIS 10 HE1 HIS 10 5.237 -2.646 -15.540
221 H LEU 11 H LEU 11 0.922 1.929 -11.543
222 HA LEU 11 HA LEU 11 1.710 0.060 -9.452
223 HB2 LEU 11 HB2 LEU 11 1.585 2.491 -9.081
224 HB3 LEU 11 HB3 LEU 11 -0.134 2.494 -9.459
225 HG LEU 11 HG LEU 11 -0.630 1.193 -7.446
226 HD11 LEU 11 HD11 LEU 11 2.366 1.306 -6.870
227 HD12 LEU 11 HD12 LEU 11 1.421 -0.163 -7.196
228 HD13 LEU 11 HD13 LEU 11 1.115 0.777 -5.735
229 HD21 LEU 11 HD21 LEU 11 -0.526 3.663 -7.344
230 HD22 LEU 11 HD22 LEU 11 1.189 3.578 -6.887
231 HD23 LEU 11 HD23 LEU 11 -0.058 2.927 -5.801
232 H VAL 12 H VAL 12 -1.360 0.825 -11.092
233 HA VAL 12 HA VAL 12 -2.987 -1.073 -9.687
234 HB VAL 12 HB VAL 12 -3.256 0.186 -12.427
235 HG11 VAL 12 HG11 VAL 12 -5.640 -0.572 -12.403
236 HG12 VAL 12 HG12 VAL 12 -4.499 -1.900 -12.606
237 HG13 VAL 12 HG13 VAL 12 -5.268 -1.629 -11.021
238 HG21 VAL 12 HG21 VAL 12 -5.013 1.506 -11.327
239 HG22 VAL 12 HG22 VAL 12 -4.787 0.595 -9.820
240 HG23 VAL 12 HG23 VAL 12 -3.506 1.666 -10.417
241 H GLU 13 H GLU 13 -1.116 -1.461 -12.770
242 HA GLU 13 HA GLU 13 -1.617 -4.226 -13.193
243 HB2 GLU 13 HB2 GLU 13 0.842 -2.522 -13.726
244 HB3 GLU 13 HB3 GLU 13 0.762 -4.227 -14.155
245 HG2 GLU 13 HG2 GLU 13 -1.158 -3.840 -15.609
246 HG3 GLU 13 HG3 GLU 13 -1.141 -2.118 -15.232
247 H ALA 14 H ALA 14 1.036 -2.717 -11.218
248 HA ALA 14 HA ALA 14 2.169 -5.168 -10.353
249 HB1 ALA 14 HB1 ALA 14 2.102 -2.476 -8.920
250 HB2 ALA 14 HB2 ALA 14 3.251 -3.801 -8.634
251 HB3 ALA 14 HB3 ALA 14 3.261 -2.947 -10.186
252 H LEU 15 H LEU 15 -0.426 -3.204 -8.804
253 HA LEU 15 HA LEU 15 -0.870 -4.935 -6.564
254 HB2 LEU 15 HB2 LEU 15 -2.593 -2.961 -8.104
255 HB3 LEU 15 HB3 LEU 15 -3.229 -3.857 -6.735
256 HG LEU 15 HG LEU 15 -0.705 -2.203 -6.436
257 HD11 LEU 15 HD11 LEU 15 -3.588 -1.300 -6.042
258 HD12 LEU 15 HD12 LEU 15 -2.469 -0.701 -7.283
259 HD13 LEU 15 HD13 LEU 15 -2.140 -0.378 -5.573
260 HD21 LEU 15 HD21 LEU 15 -1.243 -3.868 -4.642
261 HD22 LEU 15 HD22 LEU 15 -2.845 -3.138 -4.454
262 HD23 LEU 15 HD23 LEU 15 -1.391 -2.206 -4.056
263 H TYR 16 H TYR 16 -2.361 -5.052 -9.868
264 HA TYR 16 HA TYR 16 -3.960 -7.377 -9.294
265 HB2 TYR 16 HB2 TYR 16 -2.900 -6.142 -11.853
266 HB3 TYR 16 HB3 TYR 16 -3.693 -7.704 -11.877
267 HD1 TYR 16 HD2 TYR 16 -5.980 -7.753 -10.352
268 HD2 TYR 16 HD1 TYR 16 -4.342 -4.406 -12.520
269 HE1 TYR 16 HE2 TYR 16 -8.245 -6.729 -10.478
270 HE2 TYR 16 HE1 TYR 16 -6.609 -3.391 -12.670
271 HH TYR 16 HH TYR 16 -8.838 -3.595 -12.128
272 H LEU 17 H LEU 17 -0.608 -7.129 -10.579
273 HA LEU 17 HA LEU 17 -0.276 -9.987 -10.872
274 HB2 LEU 17 HB2 LEU 17 1.558 -7.581 -10.859
275 HB3 LEU 17 HB3 LEU 17 2.254 -9.173 -10.627
276 HG LEU 17 HG LEU 17 1.197 -9.991 -12.711
277 HD11 LEU 17 HD11 LEU 17 -0.649 -8.326 -12.970
278 HD12 LEU 17 HD12 LEU 17 0.365 -8.483 -14.410
279 HD13 LEU 17 HD13 LEU 17 0.575 -7.084 -13.348
280 HD21 LEU 17 HD21 LEU 17 3.030 -7.570 -13.003
281 HD22 LEU 17 HD22 LEU 17 2.811 -8.862 -14.209
282 HD23 LEU 17 HD23 LEU 17 3.542 -9.232 -12.642
283 H VAL 18 H VAL 18 0.529 -7.791 -8.157
284 HA VAL 18 HA VAL 18 1.715 -9.861 -6.559
285 HB VAL 18 HB VAL 18 0.635 -7.114 -5.845
286 HG11 VAL 18 HG11 VAL 18 2.094 -9.067 -4.016
287 HG12 VAL 18 HG12 VAL 18 1.818 -7.347 -3.673
288 HG13 VAL 18 HG13 VAL 18 0.448 -8.442 -3.785
289 HG21 VAL 18 HG21 VAL 18 3.040 -6.600 -5.594
290 HG22 VAL 18 HG22 VAL 18 3.464 -8.282 -5.957
291 HG23 VAL 18 HG23 VAL 18 2.757 -7.262 -7.213
292 H CYS 19 HN CYS 19 -1.657 -8.494 -6.516
293 HA CYS 19 HA CYS 19 -2.438 -10.303 -4.369
294 HB2 CYS 19 HB2 CYS 19 -4.191 -8.614 -6.169
295 HB3 CYS 19 HB3 CYS 19 -4.629 -9.359 -4.635
296 H GLY 20 H GLY 20 -2.604 -10.507 -7.895
297 HA2 GLY 20 HA2 GLY 20 -3.229 -12.269 -9.278
298 HA3 GLY 20 HA3 GLY 20 -3.350 -13.305 -7.843
299 H GLU 21 H GLU 21 -5.257 -14.280 -8.169
300 HA GLU 21 HA GLU 21 -7.646 -12.983 -9.148
301 HB2 GLU 21 HB2 GLU 21 -8.743 -15.096 -8.648
302 HB3 GLU 21 HB3 GLU 21 -7.271 -15.331 -9.566
303 HG2 GLU 21 HG2 GLU 21 -7.183 -15.638 -6.549
304 HG3 GLU 21 HG3 GLU 21 -7.925 -16.889 -7.532
305 H ARG 22 H ARG 22 -6.233 -13.038 -5.998
306 HA ARG 22 HA ARG 22 -8.607 -12.940 -4.377
307 HB2 ARG 22 HB2 ARG 22 -5.844 -11.784 -3.815
308 HB3 ARG 22 HB3 ARG 22 -7.110 -12.097 -2.627
309 HG2 ARG 22 HG2 ARG 22 -6.999 -14.510 -3.054
310 HG3 ARG 22 HG3 ARG 22 -5.767 -14.279 -4.300
311 HD2 ARG 22 HD2 ARG 22 -5.445 -13.527 -1.370
312 HD3 ARG 22 HD3 ARG 22 -4.837 -14.997 -2.113
313 HE ARG 22 HE ARG 22 -3.545 -13.444 -3.691
314 HH11 ARG 22 HH11 ARG 22 -4.365 -12.078 -0.537
315 HH12 ARG 22 HH12 ARG 22 -2.740 -11.516 -0.257
316 HH21 ARG 22 HH21 ARG 22 -1.516 -12.552 -3.344
317 HH22 ARG 22 HH22 ARG 22 -1.204 -11.639 -1.902
318 H GLY 23 H GLY 23 -6.775 -10.455 -6.100
319 HA2 GLY 23 HA2 GLY 23 -7.270 -8.232 -6.576
320 HA3 GLY 23 HA3 GLY 23 -8.839 -8.424 -5.781
321 H PHE 24 H PHE 24 -7.852 -6.120 -5.439
322 HA PHE 24 HA PHE 24 -6.469 -5.944 -2.808
323 HB2 PHE 24 HB2 PHE 24 -5.765 -3.672 -3.733
324 HB3 PHE 24 HB3 PHE 24 -5.061 -5.091 -4.459
325 HD1 PHE 24 HD1 PHE 24 -7.927 -2.695 -5.042
326 HD2 PHE 24 HD2 PHE 24 -5.019 -5.374 -6.770
327 HE1 PHE 24 HE1 PHE 24 -8.583 -1.954 -7.316
328 HE2 PHE 24 HE2 PHE 24 -5.642 -4.586 -9.034
329 HZ PHE 24 HZ PHE 24 -7.434 -2.885 -9.313
330 H PHE 25 H PHE 25 -6.933 -4.026 -1.540
331 HA PHE 25 HA PHE 25 -9.677 -2.883 -1.875
332 HB2 PHE 25 HB2 PHE 25 -10.073 -3.073 0.475
333 HB3 PHE 25 HB3 PHE 25 -9.669 -4.647 -0.161
334 HD1 PHE 25 HD1 PHE 25 -8.547 -1.875 2.035
335 HD2 PHE 25 HD2 PHE 25 -7.638 -5.825 0.562
336 HE1 PHE 25 HE1 PHE 25 -6.852 -2.150 3.821
337 HE2 PHE 25 HE2 PHE 25 -5.959 -6.104 2.373
338 HZ PHE 25 HZ PHE 25 -5.555 -4.263 3.992
339 H TYR 26 H TYR 26 -6.633 -1.950 -2.226
340 HA TYR 26 HA TYR 26 -6.037 -0.035 -0.327
341 HB2 TYR 26 HB2 TYR 26 -4.328 0.663 -1.672
342 HB3 TYR 26 HB3 TYR 26 -4.585 -0.967 -2.253
343 HD1 TYR 26 HD2 TYR 26 -6.096 -1.240 -4.382
344 HD2 TYR 26 HD1 TYR 26 -4.286 2.480 -3.187
345 HE1 TYR 26 HE2 TYR 26 -6.419 -0.348 -6.681
346 HE2 TYR 26 HE1 TYR 26 -4.631 3.380 -5.476
347 HH TYR 26 HH TYR 26 -6.171 1.466 -8.081
348 H THR 27 H THR 27 -6.137 2.167 -0.062
349 HA THR 27 HA THR 27 -8.306 3.638 -1.423
350 HB THR 27 HB THR 27 -7.685 5.448 0.229
351 HG1 THR 27 HG1 THR 27 -6.497 4.523 2.066
352 HG21 THR 27 HG21 THR 27 -8.762 4.316 2.122
353 HG22 THR 27 HG22 THR 27 -8.447 2.728 1.395
354 HG23 THR 27 HG23 THR 27 -9.562 3.866 0.606
355 HA PRO 28 HA PRO 28 -5.162 5.540 -4.028
356 HB2 PRO 28 HB2 PRO 28 -6.689 7.208 -5.528
357 HB3 PRO 28 HB3 PRO 28 -6.854 5.428 -5.649
358 HG2 PRO 28 HG2 PRO 28 -8.524 7.346 -3.981
359 HG3 PRO 28 HG3 PRO 28 -9.108 6.102 -5.136
360 HD2 PRO 28 HD2 PRO 28 -8.918 5.645 -2.433
361 HD3 PRO 28 HD3 PRO 28 -8.622 4.354 -3.639
362 H LYS 29 H LYS 29 -4.538 7.918 -4.646
363 HA LYS 29 HA LYS 29 -3.933 9.420 -2.314
364 HB2 LYS 29 HB2 LYS 29 -2.670 9.438 -4.439
365 HB3 LYS 29 HB3 LYS 29 -4.033 10.234 -5.251
366 HG2 LYS 29 HG2 LYS 29 -3.729 12.242 -3.870
367 HG3 LYS 29 HG3 LYS 29 -2.500 11.424 -2.895
368 HD2 LYS 29 HD2 LYS 29 -1.410 12.922 -4.438
369 HD3 LYS 29 HD3 LYS 29 -1.037 11.257 -4.907
370 HE2 LYS 29 HE2 LYS 29 -2.761 11.353 -6.684
371 HE3 LYS 29 HE3 LYS 29 -3.227 12.976 -6.165
372 HZ1 LYS 29 HZ1 LYS 29 -0.993 13.737 -6.772
373 HZ2 LYS 29 HZ2 LYS 29 -1.736 13.065 -8.063
374 HZ3 LYS 29 HZ3 LYS 29 -0.571 12.234 -7.272
375 H THR 30 H THR 30 -6.653 9.706 -4.534
376 HA THR 30 HA THR 30 -7.942 11.784 -2.791
377 HB THR 30 HB THR 30 -8.287 11.505 -5.798
378 HG1 THR 30 HG1 THR 30 -7.010 13.387 -5.844
379 HG21 THR 30 HG21 THR 30 -9.343 13.738 -5.564
380 HG22 THR 30 HG22 THR 30 -9.121 13.674 -3.802
381 HG23 THR 30 HG23 THR 30 -10.222 12.536 -4.609
382 H LYS 31 H LYS 31 -8.755 10.041 -1.563
383 HA LYS 31 HA LYS 31 -10.368 7.924 -2.593
384 HB2 LYS 31 HB2 LYS 31 -9.249 7.984 -0.366
385 HB3 LYS 31 HB3 LYS 31 -10.394 9.225 0.161
386 HG2 LYS 31 HG2 LYS 31 -12.275 7.600 -0.222
387 HG3 LYS 31 HG3 LYS 31 -11.084 6.368 -0.681
388 HD2 LYS 31 HD2 LYS 31 -10.053 6.536 1.578
389 HD3 LYS 31 HD3 LYS 31 -11.228 7.792 2.019
390 HE2 LYS 31 HE2 LYS 31 -13.089 6.172 1.577
391 HE3 LYS 31 HE3 LYS 31 -11.894 4.915 1.227
392 HZ1 LYS 31 HZ1 LYS 31 -12.690 4.802 3.521
393 HZ2 LYS 31 HZ2 LYS 31 -12.189 6.324 3.827
394 HZ3 LYS 31 HZ3 LYS 31 -11.093 5.148 3.522
395 H ARG 32 H ARG 32 -12.439 7.776 -3.187
396 HA ARG 32 HA ARG 32 -14.180 10.160 -3.293
397 HB2 ARG 32 HB2 ARG 32 -13.809 8.710 -5.286
398 HB3 ARG 32 HB3 ARG 32 -14.584 7.365 -4.437
399 HG2 ARG 32 HG2 ARG 32 -16.698 8.656 -4.314
400 HG3 ARG 32 HG3 ARG 32 -15.901 10.050 -5.068
401 HD2 ARG 32 HD2 ARG 32 -15.471 8.693 -7.098
402 HD3 ARG 32 HD3 ARG 32 -16.280 7.306 -6.339
403 HE ARG 32 HE ARG 32 -18.091 9.469 -6.262
404 HH11 ARG 32 HH21 ARG 32 -16.619 7.506 -8.762
405 HH12 ARG 32 HH22 ARG 32 -17.954 7.745 -9.858
406 HH21 ARG 32 HH12 ARG 32 -19.749 9.730 -7.700
407 HH22 ARG 32 HH11 ARG 32 -19.677 8.974 -9.265
Start of MODEL 23
1 H1 GLY 1 1H GLY 1 -2.292 7.484 0.351
2 H2 GLY 1 2H GLY 1 -2.067 6.682 1.766
3 H3 GLY 1 3H GLY 1 -3.520 7.387 1.443
4 HA2 GLY 1 HA2 GLY 1 -3.724 5.024 1.132
5 HA3 GLY 1 HA3 GLY 1 -3.856 5.881 -0.427
6 H ILE 2 H ILE 2 -3.136 4.145 -1.679
7 HA ILE 2 HA ILE 2 -0.281 3.307 -1.288
8 HB ILE 2 HB ILE 2 -2.012 1.557 -1.585
9 HG12 ILE 2 HG12 ILE 2 0.259 1.701 -3.602
10 HG13 ILE 2 HG13 ILE 2 0.349 1.151 -1.930
11 HG21 ILE 2 HG21 ILE 2 -2.971 1.066 -3.765
12 HG22 ILE 2 HG22 ILE 2 -3.462 2.678 -3.262
13 HG23 ILE 2 HG23 ILE 2 -2.192 2.486 -4.478
14 HD11 ILE 2 HD11 ILE 2 0.340 -0.794 -3.271
15 HD12 ILE 2 HD12 ILE 2 -1.314 -0.696 -2.636
16 HD13 ILE 2 HD13 ILE 2 -0.973 -0.192 -4.302
17 H VAL 3 H VAL 3 -2.272 5.227 -3.486
18 HA VAL 3 HA VAL 3 -0.523 5.014 -5.720
19 HB VAL 3 HB VAL 3 -2.546 7.196 -5.107
20 HG11 VAL 3 HG11 VAL 3 -2.531 7.616 -7.570
21 HG12 VAL 3 HG12 VAL 3 -0.991 8.046 -6.812
22 HG13 VAL 3 HG13 VAL 3 -1.132 6.529 -7.731
23 HG21 VAL 3 HG21 VAL 3 -3.525 4.913 -5.291
24 HG22 VAL 3 HG22 VAL 3 -3.964 5.910 -6.685
25 HG23 VAL 3 HG23 VAL 3 -2.691 4.681 -6.837
26 H GLU 4 H GLU 4 -0.591 7.565 -3.154
27 HA GLU 4 HA GLU 4 1.683 8.958 -4.379
28 HB2 GLU 4 HB2 GLU 4 1.589 10.462 -2.592
29 HB3 GLU 4 HB3 GLU 4 -0.061 10.185 -3.107
30 HG2 GLU 4 HG2 GLU 4 1.208 8.900 -0.641
31 HG3 GLU 4 HG3 GLU 4 0.331 10.418 -0.634
32 H GLN 5 H GLN 5 1.166 6.435 -2.010
33 HA GLN 5 HA GLN 5 3.749 6.476 -0.751
34 HB2 GLN 5 HB2 GLN 5 1.561 5.432 0.050
35 HB3 GLN 5 HB3 GLN 5 1.857 4.121 -1.101
36 HG2 GLN 5 HG2 GLN 5 4.074 3.734 0.098
37 HG3 GLN 5 HG3 GLN 5 3.523 4.886 1.322
38 HE21 GLN 5 HE21 GLN 5 0.610 3.871 1.184
39 HE22 GLN 5 HE22 GLN 5 0.711 2.315 1.987
40 H CYS 6 HN CYS 6 2.498 4.737 -3.622
41 HA CYS 6 HA CYS 6 5.174 3.548 -4.139
42 HB2 CYS 6 HB2 CYS 6 2.379 3.188 -5.243
43 HB3 CYS 6 HB3 CYS 6 3.783 2.602 -6.124
44 H CYS 7 HN CYS 7 3.223 6.213 -5.448
45 HA CYS 7 HA CYS 7 4.937 6.303 -7.870
46 HB2 CYS 7 HB2 CYS 7 2.472 6.506 -7.995
47 HB3 CYS 7 HB3 CYS 7 2.570 8.056 -7.151
48 H THR 8 H THR 8 3.940 8.734 -5.388
49 HA THR 8 HA THR 8 6.052 10.591 -6.089
50 HB THR 8 HB THR 8 4.397 10.526 -3.531
51 HG1 THR 8 HG1 THR 8 3.004 11.902 -4.761
52 HG21 THR 8 HG21 THR 8 4.724 12.970 -3.611
53 HG22 THR 8 HG22 THR 8 5.721 12.807 -5.074
54 HG23 THR 8 HG23 THR 8 6.279 12.134 -3.527
55 H SER 9 H SER 9 5.507 8.389 -3.332
56 HA SER 9 HA SER 9 8.425 8.463 -2.631
57 HB2 SER 9 HB2 SER 9 6.015 7.221 -1.245
58 HB3 SER 9 HB3 SER 9 7.692 7.050 -0.701
59 HG SER 9 HG SER 9 6.245 9.504 -0.978
60 H ILE 10 H ILE 10 9.313 6.185 -2.067
61 HA ILE 10 HA ILE 10 8.826 4.382 -4.381
62 HB ILE 10 HB ILE 10 11.136 5.269 -3.783
63 HG12 ILE 10 HG12 ILE 10 10.770 2.258 -3.956
64 HG13 ILE 10 HG13 ILE 10 10.708 3.407 -5.295
65 HG21 ILE 10 HG21 ILE 10 12.413 4.274 -2.009
66 HG22 ILE 10 HG22 ILE 10 10.940 4.930 -1.289
67 HG23 ILE 10 HG23 ILE 10 11.087 3.176 -1.577
68 HD11 ILE 10 HD11 ILE 10 12.867 2.344 -5.309
69 HD12 ILE 10 HD12 ILE 10 13.077 4.045 -4.851
70 HD13 ILE 10 HD13 ILE 10 13.156 2.771 -3.614
71 H CYS 11 HN CYS 11 8.307 2.143 -4.116
72 HA CYS 11 HA CYS 11 7.698 1.263 -1.342
73 HB2 CYS 11 HB2 CYS 11 5.530 0.460 -1.910
74 HB3 CYS 11 HB3 CYS 11 5.627 2.162 -2.344
75 H SER 12 H SER 12 7.625 -0.933 -0.955
76 HA SER 12 HA SER 12 9.047 -2.678 -2.954
77 HB2 SER 12 HB2 SER 12 10.200 -2.193 -0.749
78 HB3 SER 12 HB3 SER 12 8.857 -3.024 0.053
79 HG SER 12 HG SER 12 10.492 -4.517 -0.306
80 H LEU 13 H LEU 13 8.457 -5.014 -2.813
81 HA LEU 13 HA LEU 13 5.677 -5.317 -3.398
82 HB2 LEU 13 HB2 LEU 13 7.778 -7.423 -2.742
83 HB3 LEU 13 HB3 LEU 13 6.210 -7.734 -3.503
84 HG LEU 13 HG LEU 13 8.513 -6.140 -4.707
85 HD11 LEU 13 HD11 LEU 13 8.559 -8.009 -6.331
86 HD12 LEU 13 HD12 LEU 13 7.266 -8.831 -5.433
87 HD13 LEU 13 HD13 LEU 13 8.853 -8.572 -4.680
88 HD21 LEU 13 HD21 LEU 13 7.138 -6.087 -6.788
89 HD22 LEU 13 HD22 LEU 13 6.431 -5.121 -5.493
90 HD23 LEU 13 HD23 LEU 13 5.760 -6.727 -5.878
91 H TYR 14 H TYR 14 7.356 -5.676 -0.325
92 HA TYR 14 HA TYR 14 5.295 -7.001 1.165
93 HB2 TYR 14 HB2 TYR 14 7.580 -6.648 1.969
94 HB3 TYR 14 HB3 TYR 14 7.347 -4.902 1.963
95 HD1 TYR 14 HD1 TYR 14 6.077 -8.073 3.518
96 HD2 TYR 14 HD2 TYR 14 6.497 -3.792 3.885
97 HE1 TYR 14 HE1 TYR 14 5.220 -8.186 5.852
98 HE2 TYR 14 HE2 TYR 14 5.635 -3.905 6.219
99 HH TYR 14 HH TYR 14 4.680 -7.008 7.747
100 H GLN 15 H GLN 15 5.549 -3.651 0.053
101 HA GLN 15 HA GLN 15 3.256 -2.702 1.672
102 HB2 GLN 15 HB2 GLN 15 4.927 -1.384 -0.509
103 HB3 GLN 15 HB3 GLN 15 3.613 -0.599 0.354
104 HG2 GLN 15 HG2 GLN 15 4.776 -0.644 2.445
105 HG3 GLN 15 HG3 GLN 15 5.979 -1.796 1.856
106 HE21 GLN 15 HE21 GLN 15 4.856 1.603 1.423
107 HE22 GLN 15 HE22 GLN 15 6.429 2.158 0.839
108 H LEU 16 H LEU 16 3.898 -3.832 -1.677
109 HA LEU 16 HA LEU 16 1.206 -3.317 -2.638
110 HB2 LEU 16 HB2 LEU 16 3.410 -5.248 -3.451
111 HB3 LEU 16 HB3 LEU 16 1.824 -5.339 -4.172
112 HG LEU 16 HG LEU 16 3.558 -4.137 -5.505
113 HD11 LEU 16 HD11 LEU 16 1.080 -2.508 -4.845
114 HD12 LEU 16 HD12 LEU 16 1.141 -3.911 -5.934
115 HD13 LEU 16 HD13 LEU 16 2.039 -2.445 -6.335
116 HD21 LEU 16 HD21 LEU 16 4.654 -2.838 -3.737
117 HD22 LEU 16 HD22 LEU 16 3.183 -1.851 -3.548
118 HD23 LEU 16 HD23 LEU 16 4.091 -1.828 -5.069
119 H GLU 17 H GLU 17 2.680 -6.182 -1.045
120 HA GLU 17 HA GLU 17 0.381 -7.818 -0.953
121 HB2 GLU 17 HB2 GLU 17 2.806 -7.633 0.855
122 HB3 GLU 17 HB3 GLU 17 1.518 -8.815 1.103
123 HG2 GLU 17 HG2 GLU 17 1.848 -9.686 -1.198
124 HG3 GLU 17 HG3 GLU 17 3.220 -8.596 -1.403
125 H ASN 18 H ASN 18 1.168 -5.051 1.133
126 HA ASN 18 HA ASN 18 -0.561 -5.589 3.308
127 HB2 ASN 18 HB2 ASN 18 1.177 -3.841 3.274
128 HB3 ASN 18 HB3 ASN 18 0.253 -2.946 2.069
129 HD21 ASN 18 HD21 ASN 18 -1.342 -1.509 2.762
130 HD22 ASN 18 HD22 ASN 18 -1.843 -1.383 4.437
131 H TYR 19 H TYR 19 -1.336 -4.468 0.057
132 HA TYR 19 HA TYR 19 -4.150 -3.818 0.821
133 HB2 TYR 19 HB2 TYR 19 -2.522 -3.201 -1.663
134 HB3 TYR 19 HB3 TYR 19 -4.218 -2.801 -1.455
135 HD1 TYR 19 HD2 TYR 19 -4.965 -1.075 0.155
136 HD2 TYR 19 HD1 TYR 19 -0.802 -1.960 -0.439
137 HE1 TYR 19 HE2 TYR 19 -4.353 1.008 1.376
138 HE2 TYR 19 HE1 TYR 19 -0.168 0.118 0.779
139 HH TYR 19 HH TYR 19 -2.643 2.315 2.187
140 H CYS 20 HN CYS 20 -2.606 -6.612 -0.090
141 HA CYS 20 HA CYS 20 -4.650 -7.645 -1.932
142 HB2 CYS 20 HB2 CYS 20 -2.615 -9.120 -0.221
143 HB3 CYS 20 HB3 CYS 20 -3.583 -9.811 -1.512
144 H ASN 21 H ASN 21 -5.839 -9.702 -1.245
145 HA ASN 21 HA ASN 21 -6.830 -9.705 1.525
146 HB2 ASN 21 HB2 ASN 21 -9.072 -9.344 1.075
147 HB3 ASN 21 HB3 ASN 21 -8.311 -8.156 0.036
148 HD21 ASN 21 HD21 ASN 21 -7.930 -8.997 -2.331
149 HD22 ASN 21 HD22 ASN 21 -9.230 -9.985 -2.980
150 H1 PHE 1 H1 PHE 1 16.323 -3.540 0.059
151 H2 PHE 1 H2 PHE 1 15.629 -2.603 -1.100
152 H3 PHE 1 H3 PHE 1 16.681 -3.777 -1.526
153 HA PHE 1 HA PHE 1 15.192 -5.493 -0.743
154 HB2 PHE 1 HB2 PHE 1 13.230 -3.204 -0.310
155 HB3 PHE 1 HB3 PHE 1 12.919 -4.922 -0.056
156 HD1 PHE 1 HD2 PHE 1 14.388 -6.182 1.692
157 HD2 PHE 1 HD1 PHE 1 13.976 -1.883 1.528
158 HE1 PHE 1 HE2 PHE 1 15.155 -6.017 4.045
159 HE2 PHE 1 HE1 PHE 1 14.753 -1.729 3.883
160 HZ PHE 1 HZ PHE 1 15.346 -3.793 5.140
161 H VAL 2 H VAL 2 12.626 -5.561 -2.005
162 HA VAL 2 HA VAL 2 13.372 -5.108 -4.838
163 HB VAL 2 HB VAL 2 10.845 -6.456 -3.841
164 HG11 VAL 2 HG11 VAL 2 10.781 -5.747 -6.235
165 HG12 VAL 2 HG12 VAL 2 12.351 -6.528 -6.508
166 HG13 VAL 2 HG13 VAL 2 10.924 -7.503 -6.120
167 HG21 VAL 2 HG21 VAL 2 12.734 -7.756 -2.961
168 HG22 VAL 2 HG22 VAL 2 12.012 -8.612 -4.316
169 HG23 VAL 2 HG23 VAL 2 13.533 -7.720 -4.552
170 H ASN 3 H ASN 3 13.386 -2.792 -4.024
171 HA ASN 3 HA ASN 3 10.732 -1.518 -3.784
172 HB2 ASN 3 HB2 ASN 3 12.092 0.452 -2.962
173 HB3 ASN 3 HB3 ASN 3 12.001 -0.983 -1.955
174 HD21 ASN 3 HD21 ASN 3 14.212 0.146 -4.645
175 HD22 ASN 3 HD22 ASN 3 15.664 -0.206 -3.724
176 H GLN 4 H GLN 4 9.847 -0.170 -5.225
177 HA GLN 4 HA GLN 4 11.403 1.013 -7.459
178 HB2 GLN 4 HB2 GLN 4 9.058 -0.927 -7.760
179 HB3 GLN 4 HB3 GLN 4 9.686 0.082 -9.058
180 HG2 GLN 4 HG2 GLN 4 11.886 -1.067 -8.903
181 HG3 GLN 4 HG3 GLN 4 11.245 -2.126 -7.640
182 HE21 GLN 4 HE21 GLN 4 10.524 -1.130 -11.072
183 HE22 GLN 4 HE22 GLN 4 9.924 -2.720 -11.506
184 H HIS 5 H HIS 5 10.027 2.508 -8.764
185 HA HIS 5 HA HIS 5 7.806 3.726 -7.182
186 HB2 HIS 5 HB2 HIS 5 9.496 4.774 -9.485
187 HB3 HIS 5 HB3 HIS 5 7.974 5.509 -8.992
188 HD1 HIS 5 HD1 HIS 5 8.009 7.091 -6.889
189 HD2 HIS 5 HD2 HIS 5 11.551 4.907 -7.560
190 HE1 HIS 5 HE1 HIS 5 9.754 8.042 -5.304
191 H LEU 6 H LEU 6 5.768 3.410 -7.829
192 HA LEU 6 HA LEU 6 5.105 2.270 -10.511
193 HB2 LEU 6 HB2 LEU 6 4.334 1.206 -7.754
194 HB3 LEU 6 HB3 LEU 6 3.511 0.726 -9.234
195 HG LEU 6 HG LEU 6 6.493 0.279 -8.772
196 HD11 LEU 6 HD11 LEU 6 4.147 -1.572 -8.207
197 HD12 LEU 6 HD12 LEU 6 5.288 -0.894 -7.031
198 HD13 LEU 6 HD13 LEU 6 5.860 -2.063 -8.227
199 HD21 LEU 6 HD21 LEU 6 5.785 0.217 -11.147
200 HD22 LEU 6 HD22 LEU 6 4.504 -0.950 -10.744
201 HD23 LEU 6 HD23 LEU 6 6.217 -1.398 -10.574
202 H CYS 7 HN CYS 7 3.257 3.142 -11.361
203 HA CYS 7 HA CYS 7 1.541 4.874 -9.638
204 HB2 CYS 7 HB2 CYS 7 3.660 5.940 -10.900
205 HB3 CYS 7 HB3 CYS 7 2.574 5.909 -12.272
206 H GLY 8 H GLY 8 -0.549 5.127 -10.318
207 HA2 GLY 8 HA2 GLY 8 -2.532 4.691 -11.421
208 HA3 GLY 8 HA3 GLY 8 -1.581 5.106 -12.842
209 H SER 9 H SER 9 -1.832 3.708 -14.416
210 HA SER 9 HA SER 9 -3.001 1.134 -14.281
211 HB2 SER 9 HB2 SER 9 -2.770 2.608 -16.294
212 HB3 SER 9 HB3 SER 9 -1.055 2.157 -16.378
213 HG SER 9 HG SER 9 -2.396 0.851 -17.748
214 H HIS 10 H HIS 10 0.529 1.982 -14.110
215 HA HIS 10 HA HIS 10 1.324 -0.824 -14.155
216 HB2 HIS 10 HB2 HIS 10 2.781 1.770 -13.570
217 HB3 HIS 10 HB3 HIS 10 3.538 0.185 -13.469
218 HD1 HIS 10 HD1 HIS 10 2.810 -1.319 -16.023
219 HD2 HIS 10 HD2 HIS 10 3.380 2.863 -15.857
220 HE1 HIS 10 HE1 HIS 10 3.334 -0.565 -18.397
221 H LEU 11 H LEU 11 0.445 1.445 -11.585
222 HA LEU 11 HA LEU 11 1.347 -0.325 -9.441
223 HB2 LEU 11 HB2 LEU 11 1.096 2.116 -9.147
224 HB3 LEU 11 HB3 LEU 11 -0.632 1.999 -9.447
225 HG LEU 11 HG LEU 11 -0.938 0.693 -7.386
226 HD11 LEU 11 HD11 LEU 11 1.178 -0.534 -7.253
227 HD12 LEU 11 HD12 LEU 11 0.948 0.409 -5.780
228 HD13 LEU 11 HD13 LEU 11 2.077 0.981 -7.026
229 HD21 LEU 11 HD21 LEU 11 -1.026 3.142 -7.289
230 HD22 LEU 11 HD22 LEU 11 0.727 3.219 -7.020
231 HD23 LEU 11 HD23 LEU 11 -0.329 2.499 -5.793
232 H VAL 12 H VAL 12 -1.772 0.283 -11.071
233 HA VAL 12 HA VAL 12 -3.321 -1.683 -9.686
234 HB VAL 12 HB VAL 12 -3.524 -0.399 -12.421
235 HG11 VAL 12 HG11 VAL 12 -5.827 -1.349 -12.635
236 HG12 VAL 12 HG12 VAL 12 -4.566 -2.566 -12.799
237 HG13 VAL 12 HG13 VAL 12 -5.475 -2.438 -11.275
238 HG21 VAL 12 HG21 VAL 12 -5.457 0.726 -11.410
239 HG22 VAL 12 HG22 VAL 12 -5.258 -0.217 -9.916
240 HG23 VAL 12 HG23 VAL 12 -4.026 0.960 -10.399
241 H GLU 13 H GLU 13 -1.336 -1.964 -12.678
242 HA GLU 13 HA GLU 13 -1.641 -4.731 -13.166
243 HB2 GLU 13 HB2 GLU 13 -0.702 -3.158 -14.748
244 HB3 GLU 13 HB3 GLU 13 0.626 -2.790 -13.645
245 HG2 GLU 13 HG2 GLU 13 1.559 -5.032 -13.939
246 HG3 GLU 13 HG3 GLU 13 0.180 -5.489 -14.949
247 H ALA 14 H ALA 14 0.866 -3.053 -11.136
248 HA ALA 14 HA ALA 14 2.181 -5.419 -10.274
249 HB1 ALA 14 HB1 ALA 14 1.866 -2.722 -8.877
250 HB2 ALA 14 HB2 ALA 14 3.065 -3.963 -8.468
251 HB3 ALA 14 HB3 ALA 14 3.131 -3.158 -10.048
252 H LEU 15 H LEU 15 -0.653 -3.714 -8.816
253 HA LEU 15 HA LEU 15 -0.911 -5.510 -6.583
254 HB2 LEU 15 HB2 LEU 15 -2.872 -3.712 -8.048
255 HB3 LEU 15 HB3 LEU 15 -3.321 -4.669 -6.644
256 HG LEU 15 HG LEU 15 -1.051 -2.660 -6.527
257 HD11 LEU 15 HD11 LEU 15 -2.665 -1.091 -5.529
258 HD12 LEU 15 HD12 LEU 15 -3.979 -2.247 -5.810
259 HD13 LEU 15 HD13 LEU 15 -3.130 -1.503 -7.182
260 HD21 LEU 15 HD21 LEU 15 -1.084 -4.380 -4.723
261 HD22 LEU 15 HD22 LEU 15 -2.776 -3.986 -4.375
262 HD23 LEU 15 HD23 LEU 15 -1.499 -2.787 -4.088
263 H TYR 16 H TYR 16 -2.333 -5.698 -9.891
264 HA TYR 16 HA TYR 16 -3.723 -8.178 -9.418
265 HB2 TYR 16 HB2 TYR 16 -2.666 -6.815 -11.915
266 HB3 TYR 16 HB3 TYR 16 -3.318 -8.434 -11.995
267 HD1 TYR 16 HD1 TYR 16 -5.670 -8.709 -10.618
268 HD2 TYR 16 HD2 TYR 16 -4.209 -5.159 -12.584
269 HE1 TYR 16 HE1 TYR 16 -8.006 -7.885 -10.870
270 HE2 TYR 16 HE2 TYR 16 -6.535 -4.332 -12.836
271 HH TYR 16 HH TYR 16 -8.766 -4.755 -12.459
272 H LEU 17 H LEU 17 -0.353 -7.559 -10.489
273 HA LEU 17 HA LEU 17 0.322 -10.347 -10.813
274 HB2 LEU 17 HB2 LEU 17 1.983 -7.834 -10.375
275 HB3 LEU 17 HB3 LEU 17 2.710 -9.411 -10.642
276 HG LEU 17 HG LEU 17 0.788 -8.116 -12.628
277 HD11 LEU 17 HD11 LEU 17 2.794 -7.544 -13.937
278 HD12 LEU 17 HD12 LEU 17 3.837 -8.162 -12.630
279 HD13 LEU 17 HD13 LEU 17 2.814 -6.733 -12.358
280 HD21 LEU 17 HD21 LEU 17 1.782 -9.743 -14.217
281 HD22 LEU 17 HD22 LEU 17 0.926 -10.553 -12.906
282 HD23 LEU 17 HD23 LEU 17 2.704 -10.475 -12.885
283 H VAL 18 H VAL 18 0.815 -8.133 -8.033
284 HA VAL 18 HA VAL 18 2.120 -10.154 -6.441
285 HB VAL 18 HB VAL 18 0.945 -7.463 -5.696
286 HG11 VAL 18 HG11 VAL 18 0.928 -8.796 -3.626
287 HG12 VAL 18 HG12 VAL 18 2.583 -9.356 -3.944
288 HG13 VAL 18 HG13 VAL 18 2.267 -7.650 -3.576
289 HG21 VAL 18 HG21 VAL 18 3.831 -8.442 -5.949
290 HG22 VAL 18 HG22 VAL 18 2.988 -7.483 -7.177
291 HG23 VAL 18 HG23 VAL 18 3.310 -6.790 -5.586
292 H CYS 19 HN CYS 19 -1.309 -8.939 -6.400
293 HA CYS 19 HA CYS 19 -1.964 -10.787 -4.199
294 HB2 CYS 19 HB2 CYS 19 -3.788 -8.986 -5.826
295 HB3 CYS 19 HB3 CYS 19 -4.136 -9.744 -4.277
296 H GLY 20 H GLY 20 -2.303 -10.814 -7.693
297 HA2 GLY 20 HA2 GLY 20 -2.902 -12.516 -9.136
298 HA3 GLY 20 HA3 GLY 20 -3.103 -13.600 -7.750
299 H GLU 21 H GLU 21 -4.919 -14.489 -8.718
300 HA GLU 21 HA GLU 21 -7.173 -13.193 -9.731
301 HB2 GLU 21 HB2 GLU 21 -6.483 -15.584 -9.984
302 HB3 GLU 21 HB3 GLU 21 -7.034 -15.906 -8.341
303 HG2 GLU 21 HG2 GLU 21 -9.350 -15.349 -9.010
304 HG3 GLU 21 HG3 GLU 21 -8.788 -14.868 -10.611
305 H ARG 22 H ARG 22 -6.335 -13.600 -6.363
306 HA ARG 22 HA ARG 22 -8.921 -13.433 -5.144
307 HB2 ARG 22 HB2 ARG 22 -6.133 -12.660 -4.166
308 HB3 ARG 22 HB3 ARG 22 -7.570 -12.536 -3.178
309 HG2 ARG 22 HG2 ARG 22 -6.466 -14.561 -2.602
310 HG3 ARG 22 HG3 ARG 22 -8.005 -14.940 -3.349
311 HD2 ARG 22 HD2 ARG 22 -6.235 -16.497 -4.000
312 HD3 ARG 22 HD3 ARG 22 -6.903 -15.661 -5.399
313 HE ARG 22 HE ARG 22 -4.673 -14.140 -4.595
314 HH11 ARG 22 HH21 ARG 22 -5.100 -17.498 -5.665
315 HH12 ARG 22 HH22 ARG 22 -3.463 -17.599 -6.241
316 HH21 ARG 22 HH11 ARG 22 -2.657 -14.320 -5.382
317 HH22 ARG 22 HH12 ARG 22 -2.067 -15.825 -6.051
318 H GLY 23 H GLY 23 -6.898 -10.939 -6.584
319 HA2 GLY 23 HA2 GLY 23 -7.386 -8.705 -7.043
320 HA3 GLY 23 HA3 GLY 23 -8.931 -8.867 -6.181
321 H PHE 24 H PHE 24 -8.123 -6.632 -5.656
322 HA PHE 24 HA PHE 24 -6.639 -6.554 -3.085
323 HB2 PHE 24 HB2 PHE 24 -5.187 -4.797 -4.063
324 HB3 PHE 24 HB3 PHE 24 -5.042 -6.354 -4.875
325 HD1 PHE 24 HD1 PHE 24 -6.549 -2.947 -5.249
326 HD2 PHE 24 HD2 PHE 24 -5.417 -6.622 -7.203
327 HE1 PHE 24 HE1 PHE 24 -6.969 -1.904 -7.467
328 HE2 PHE 24 HE2 PHE 24 -5.811 -5.559 -9.403
329 HZ PHE 24 HZ PHE 24 -6.619 -3.221 -9.544
330 H PHE 25 H PHE 25 -6.694 -4.544 -2.013
331 HA PHE 25 HA PHE 25 -9.139 -2.903 -2.365
332 HB2 PHE 25 HB2 PHE 25 -6.962 -2.814 -0.234
333 HB3 PHE 25 HB3 PHE 25 -8.476 -1.929 -0.207
334 HD1 PHE 25 HD2 PHE 25 -10.680 -3.507 -0.440
335 HD2 PHE 25 HD1 PHE 25 -6.833 -4.770 1.059
336 HE1 PHE 25 HE2 PHE 25 -11.763 -5.381 0.779
337 HE2 PHE 25 HE1 PHE 25 -7.926 -6.627 2.285
338 HZ PHE 25 HZ PHE 25 -10.389 -6.935 2.152
339 H TYR 26 H TYR 26 -8.949 -0.599 -2.725
340 HA TYR 26 HA TYR 26 -6.259 0.393 -3.579
341 HB2 TYR 26 HB2 TYR 26 -7.545 -0.595 -5.497
342 HB3 TYR 26 HB3 TYR 26 -8.792 0.616 -5.246
343 HD1 TYR 26 HD1 TYR 26 -5.243 0.044 -6.215
344 HD2 TYR 26 HD2 TYR 26 -8.467 2.908 -6.017
345 HE1 TYR 26 HE1 TYR 26 -3.985 1.562 -7.734
346 HE2 TYR 26 HE2 TYR 26 -7.203 4.434 -7.530
347 HH TYR 26 HH TYR 26 -4.006 3.546 -8.894
348 H THR 27 H THR 27 -5.774 2.349 -2.936
349 HA THR 27 HA THR 27 -7.894 4.346 -2.297
350 HB THR 27 HB THR 27 -5.693 3.512 -0.390
351 HG1 THR 27 HG1 THR 27 -7.416 2.826 0.811
352 HG21 THR 27 HG21 THR 27 -7.776 5.753 -0.248
353 HG22 THR 27 HG22 THR 27 -6.027 5.968 -0.247
354 HG23 THR 27 HG23 THR 27 -6.812 5.185 1.132
355 HA PRO 28 HA PRO 28 -4.604 6.757 -4.344
356 HB2 PRO 28 HB2 PRO 28 -6.143 8.584 -5.595
357 HB3 PRO 28 HB3 PRO 28 -6.052 6.903 -6.201
358 HG2 PRO 28 HG2 PRO 28 -8.178 8.115 -4.409
359 HG3 PRO 28 HG3 PRO 28 -8.412 7.159 -5.909
360 HD2 PRO 28 HD2 PRO 28 -8.499 6.083 -3.380
361 HD3 PRO 28 HD3 PRO 28 -7.922 5.144 -4.797
362 H LYS 29 H LYS 29 -4.041 9.097 -4.063
363 HA LYS 29 HA LYS 29 -4.345 10.100 -1.413
364 HB2 LYS 29 HB2 LYS 29 -2.546 10.623 -3.074
365 HB3 LYS 29 HB3 LYS 29 -3.708 11.602 -3.992
366 HG2 LYS 29 HG2 LYS 29 -3.954 13.130 -2.042
367 HG3 LYS 29 HG3 LYS 29 -2.900 12.083 -1.079
368 HD2 LYS 29 HD2 LYS 29 -1.649 14.007 -1.828
369 HD3 LYS 29 HD3 LYS 29 -1.018 12.563 -2.635
370 HE2 LYS 29 HE2 LYS 29 -2.312 13.130 -4.680
371 HE3 LYS 29 HE3 LYS 29 -3.023 14.527 -3.857
372 HZ1 LYS 29 HZ1 LYS 29 -0.131 14.189 -4.456
373 HZ2 LYS 29 HZ2 LYS 29 -0.783 15.469 -3.673
374 HZ3 LYS 29 HZ3 LYS 29 -1.156 15.197 -5.235
375 H THR 30 H THR 30 -6.320 10.545 -4.268
376 HA THR 30 HA THR 30 -7.918 12.744 -3.651
377 HB THR 30 HB THR 30 -8.887 10.273 -5.135
378 HG1 THR 30 HG1 THR 30 -7.764 11.174 -6.926
379 HG21 THR 30 HG21 THR 30 -9.890 11.981 -6.654
380 HG22 THR 30 HG22 THR 30 -9.300 13.269 -5.579
381 HG23 THR 30 HG23 THR 30 -10.522 12.111 -5.008
382 H LYS 31 H LYS 31 -8.192 9.478 -2.290
383 HA LYS 31 HA LYS 31 -10.931 9.792 -1.383
384 HB2 LYS 31 HB2 LYS 31 -9.612 7.637 -1.831
385 HB3 LYS 31 HB3 LYS 31 -8.821 7.907 -0.270
386 HG2 LYS 31 HG2 LYS 31 -11.093 7.889 0.818
387 HG3 LYS 31 HG3 LYS 31 -11.824 7.567 -0.755
388 HD2 LYS 31 HD2 LYS 31 -9.875 5.755 0.732
389 HD3 LYS 31 HD3 LYS 31 -11.627 5.566 0.694
390 HE2 LYS 31 HE2 LYS 31 -11.585 5.205 -1.741
391 HE3 LYS 31 HE3 LYS 31 -9.840 5.463 -1.778
392 HZ1 LYS 31 HZ1 LYS 31 -10.347 3.099 -1.735
393 HZ2 LYS 31 HZ2 LYS 31 -11.192 3.247 -0.339
394 HZ3 LYS 31 HZ3 LYS 31 -9.565 3.496 -0.366
395 H ARG 32 H ARG 32 -7.942 11.034 -0.144
396 HA ARG 32 HA ARG 32 -8.562 11.102 2.669
397 HB2 ARG 32 HB2 ARG 32 -6.285 11.157 1.707
398 HB3 ARG 32 HB3 ARG 32 -6.576 12.781 1.077
399 HG2 ARG 32 HG2 ARG 32 -6.948 12.222 4.030
400 HG3 ARG 32 HG3 ARG 32 -5.323 12.374 3.381
401 HD2 ARG 32 HD2 ARG 32 -5.659 14.611 2.655
402 HD3 ARG 32 HD3 ARG 32 -7.388 14.557 2.921
403 HE ARG 32 HE ARG 32 -5.308 14.994 4.916
404 HH11 ARG 32 HH11 ARG 32 -8.698 14.048 4.546
405 HH12 ARG 32 HH12 ARG 32 -9.070 14.566 6.174
406 HH21 ARG 32 HH22 ARG 32 -5.893 15.602 6.956
407 HH22 ARG 32 HH21 ARG 32 -7.535 15.403 7.497
Start of MODEL 24
1 H1 GLY 1 1H GLY 1 -4.009 5.294 1.637
2 H2 GLY 1 2H GLY 1 -3.803 3.694 1.370
3 H3 GLY 1 3H GLY 1 -5.210 4.416 0.934
4 HA2 GLY 1 HA2 GLY 1 -3.888 4.018 -1.025
5 HA3 GLY 1 HA3 GLY 1 -4.092 5.750 -0.730
6 H ILE 2 H ILE 2 -1.912 3.893 -1.963
7 HA ILE 2 HA ILE 2 0.448 4.724 -0.313
8 HB ILE 2 HB ILE 2 -0.189 2.274 -0.721
9 HG12 ILE 2 HG12 ILE 2 2.638 3.154 -1.422
10 HG13 ILE 2 HG13 ILE 2 1.973 3.012 0.199
11 HG21 ILE 2 HG21 ILE 2 1.142 2.693 -3.431
12 HG22 ILE 2 HG22 ILE 2 0.418 1.207 -2.788
13 HG23 ILE 2 HG23 ILE 2 -0.609 2.567 -3.215
14 HD11 ILE 2 HD11 ILE 2 3.342 1.074 -0.363
15 HD12 ILE 2 HD12 ILE 2 1.638 0.565 -0.162
16 HD13 ILE 2 HD13 ILE 2 2.362 0.722 -1.776
17 H VAL 3 H VAL 3 -1.024 5.573 -3.245
18 HA VAL 3 HA VAL 3 1.099 5.676 -5.009
19 HB VAL 3 HB VAL 3 -1.266 5.947 -5.610
20 HG11 VAL 3 HG11 VAL 3 -2.382 8.096 -5.622
21 HG12 VAL 3 HG12 VAL 3 -1.942 7.683 -3.961
22 HG13 VAL 3 HG13 VAL 3 -0.994 8.886 -4.861
23 HG21 VAL 3 HG21 VAL 3 -0.915 7.338 -7.563
24 HG22 VAL 3 HG22 VAL 3 0.485 8.122 -6.815
25 HG23 VAL 3 HG23 VAL 3 0.549 6.396 -7.234
26 H GLU 4 H GLU 4 0.353 8.197 -2.577
27 HA GLU 4 HA GLU 4 2.370 10.035 -3.606
28 HB2 GLU 4 HB2 GLU 4 0.916 9.929 -0.939
29 HB3 GLU 4 HB3 GLU 4 2.064 11.193 -1.409
30 HG2 GLU 4 HG2 GLU 4 0.632 11.598 -3.474
31 HG3 GLU 4 HG3 GLU 4 -0.603 10.581 -2.722
32 H GLN 5 H GLN 5 2.697 7.079 -1.943
33 HA GLN 5 HA GLN 5 5.413 7.807 -0.921
34 HB2 GLN 5 HB2 GLN 5 3.839 6.445 0.542
35 HB3 GLN 5 HB3 GLN 5 3.894 5.170 -0.670
36 HG2 GLN 5 HG2 GLN 5 5.448 4.571 1.015
37 HG3 GLN 5 HG3 GLN 5 6.410 5.068 -0.374
38 HE21 GLN 5 HE21 GLN 5 5.177 6.189 2.845
39 HE22 GLN 5 HE22 GLN 5 6.450 7.375 3.066
40 H CYS 6 HN CYS 6 3.815 5.254 -2.944
41 HA CYS 6 HA CYS 6 6.224 4.239 -4.056
42 HB2 CYS 6 HB2 CYS 6 3.326 4.184 -4.985
43 HB3 CYS 6 HB3 CYS 6 4.613 3.345 -5.832
44 H CYS 7 HN CYS 7 4.267 6.946 -5.261
45 HA CYS 7 HA CYS 7 5.616 6.920 -7.890
46 HB2 CYS 7 HB2 CYS 7 3.170 7.384 -7.454
47 HB3 CYS 7 HB3 CYS 7 3.643 8.922 -6.750
48 H THR 8 H THR 8 5.846 8.721 -4.888
49 HA THR 8 HA THR 8 7.616 10.822 -6.019
50 HB THR 8 HB THR 8 6.510 10.479 -3.203
51 HG1 THR 8 HG1 THR 8 4.891 11.854 -3.913
52 HG21 THR 8 HG21 THR 8 7.625 12.910 -4.680
53 HG22 THR 8 HG22 THR 8 8.375 12.088 -3.293
54 HG23 THR 8 HG23 THR 8 6.845 12.951 -3.081
55 H SER 9 H SER 9 7.709 8.135 -3.694
56 HA SER 9 HA SER 9 10.700 8.233 -3.657
57 HB2 SER 9 HB2 SER 9 8.793 7.621 -1.358
58 HB3 SER 9 HB3 SER 9 10.545 7.386 -1.317
59 HG SER 9 HG SER 9 9.862 9.414 -0.381
60 H ILE 10 H ILE 10 11.209 5.824 -2.457
61 HA ILE 10 HA ILE 10 10.114 3.869 -4.423
62 HB ILE 10 HB ILE 10 12.603 4.240 -4.021
63 HG12 ILE 10 HG12 ILE 10 11.501 1.426 -3.770
64 HG13 ILE 10 HG13 ILE 10 11.616 2.375 -5.253
65 HG21 ILE 10 HG21 ILE 10 12.177 2.529 -1.541
66 HG22 ILE 10 HG22 ILE 10 13.704 3.179 -2.166
67 HG23 ILE 10 HG23 ILE 10 12.495 4.274 -1.498
68 HD11 ILE 10 HD11 ILE 10 14.089 2.479 -5.007
69 HD12 ILE 10 HD12 ILE 10 13.973 1.397 -3.606
70 HD13 ILE 10 HD13 ILE 10 13.460 0.836 -5.205
71 H CYS 11 HN CYS 11 8.979 2.022 -3.844
72 HA CYS 11 HA CYS 11 8.301 1.622 -0.961
73 HB2 CYS 11 HB2 CYS 11 5.996 1.342 -1.448
74 HB3 CYS 11 HB3 CYS 11 6.496 2.881 -2.120
75 H SER 12 H SER 12 7.293 -0.590 -0.589
76 HA SER 12 HA SER 12 8.939 -2.572 -2.123
77 HB2 SER 12 HB2 SER 12 9.152 -3.843 -0.169
78 HB3 SER 12 HB3 SER 12 9.442 -2.171 0.322
79 HG SER 12 HG SER 12 8.060 -3.174 1.791
80 H LEU 13 H LEU 13 8.186 -4.759 -2.390
81 HA LEU 13 HA LEU 13 5.428 -4.997 -3.235
82 HB2 LEU 13 HB2 LEU 13 7.453 -7.183 -2.605
83 HB3 LEU 13 HB3 LEU 13 5.950 -7.374 -3.508
84 HG LEU 13 HG LEU 13 8.394 -5.779 -4.400
85 HD11 LEU 13 HD11 LEU 13 8.573 -7.510 -6.127
86 HD12 LEU 13 HD12 LEU 13 7.144 -8.344 -5.474
87 HD13 LEU 13 HD13 LEU 13 8.636 -8.237 -4.511
88 HD21 LEU 13 HD21 LEU 13 6.431 -4.635 -5.266
89 HD22 LEU 13 HD22 LEU 13 5.729 -6.176 -5.819
90 HD23 LEU 13 HD23 LEU 13 7.207 -5.528 -6.574
91 H TYR 14 H TYR 14 7.049 -5.640 -0.136
92 HA TYR 14 HA TYR 14 4.855 -7.033 1.097
93 HB2 TYR 14 HB2 TYR 14 7.137 -7.098 1.964
94 HB3 TYR 14 HB3 TYR 14 7.115 -5.364 2.259
95 HD1 TYR 14 HD1 TYR 14 5.406 -8.569 3.220
96 HD2 TYR 14 HD2 TYR 14 6.347 -4.515 4.341
97 HE1 TYR 14 HE1 TYR 14 4.457 -8.981 5.480
98 HE2 TYR 14 HE2 TYR 14 5.410 -4.921 6.611
99 HH TYR 14 HH TYR 14 4.007 -8.093 7.560
100 H GLN 15 H GLN 15 5.574 -3.570 0.721
101 HA GLN 15 HA GLN 15 3.313 -2.656 2.332
102 HB2 GLN 15 HB2 GLN 15 5.041 -1.307 0.227
103 HB3 GLN 15 HB3 GLN 15 3.761 -0.491 1.140
104 HG2 GLN 15 HG2 GLN 15 4.853 -0.757 3.214
105 HG3 GLN 15 HG3 GLN 15 6.049 -1.873 2.580
106 HE21 GLN 15 HE21 GLN 15 6.587 0.676 4.000
107 HE22 GLN 15 HE22 GLN 15 7.488 1.647 2.851
108 H LEU 16 H LEU 16 3.675 -3.658 -1.079
109 HA LEU 16 HA LEU 16 0.950 -2.832 -1.798
110 HB2 LEU 16 HB2 LEU 16 2.850 -4.846 -3.083
111 HB3 LEU 16 HB3 LEU 16 1.330 -4.319 -3.770
112 HG LEU 16 HG LEU 16 3.751 -2.548 -3.243
113 HD11 LEU 16 HD11 LEU 16 3.979 -2.530 -5.680
114 HD12 LEU 16 HD12 LEU 16 2.585 -3.615 -5.844
115 HD13 LEU 16 HD13 LEU 16 4.075 -4.180 -5.061
116 HD21 LEU 16 HD21 LEU 16 1.683 -1.198 -3.092
117 HD22 LEU 16 HD22 LEU 16 1.158 -1.845 -4.664
118 HD23 LEU 16 HD23 LEU 16 2.605 -0.827 -4.553
119 H GLU 17 H GLU 17 2.409 -5.937 -0.751
120 HA GLU 17 HA GLU 17 0.118 -7.553 -0.816
121 HB2 GLU 17 HB2 GLU 17 2.488 -7.564 1.081
122 HB3 GLU 17 HB3 GLU 17 1.191 -8.751 1.188
123 HG2 GLU 17 HG2 GLU 17 1.585 -9.420 -1.170
124 HG3 GLU 17 HG3 GLU 17 2.964 -8.322 -1.234
125 H ASN 18 H ASN 18 0.859 -5.063 1.585
126 HA ASN 18 HA ASN 18 -0.939 -5.662 3.648
127 HB2 ASN 18 HB2 ASN 18 0.704 -3.858 3.719
128 HB3 ASN 18 HB3 ASN 18 -0.138 -3.018 2.416
129 HD21 ASN 18 HD21 ASN 18 -1.816 -1.594 2.919
130 HD22 ASN 18 HD22 ASN 18 -2.431 -1.409 4.547
131 H TYR 19 H TYR 19 -1.673 -4.409 0.416
132 HA TYR 19 HA TYR 19 -4.483 -3.760 1.138
133 HB2 TYR 19 HB2 TYR 19 -2.716 -3.111 -1.241
134 HB3 TYR 19 HB3 TYR 19 -4.426 -2.710 -1.152
135 HD1 TYR 19 HD1 TYR 19 -5.291 -1.201 0.664
136 HD2 TYR 19 HD2 TYR 19 -1.083 -1.727 -0.113
137 HE1 TYR 19 HE1 TYR 19 -4.821 0.989 1.754
138 HE2 TYR 19 HE2 TYR 19 -0.601 0.442 1.005
139 HH TYR 19 HH TYR 19 -1.486 2.297 2.050
140 H CYS 20 HN CYS 20 -3.021 -6.556 0.160
141 HA CYS 20 HA CYS 20 -4.870 -7.363 -1.951
142 HB2 CYS 20 HB2 CYS 20 -2.882 -8.938 -0.282
143 HB3 CYS 20 HB3 CYS 20 -3.773 -9.567 -1.669
144 H ASN 21 H ASN 21 -6.416 -8.957 -1.891
145 HA ASN 21 HA ASN 21 -8.040 -9.238 0.517
146 HB2 ASN 21 HB2 ASN 21 -9.012 -9.161 -1.782
147 HB3 ASN 21 HB3 ASN 21 -8.132 -10.627 -2.201
148 HD21 ASN 21 HD21 ASN 21 -10.602 -9.359 0.077
149 HD22 ASN 21 HD22 ASN 21 -11.437 -10.896 0.232
150 H1 PHE 1 H1 PHE 1 13.555 -4.831 -9.472
151 H2 PHE 1 H2 PHE 1 14.411 -4.485 -8.116
152 H3 PHE 1 H3 PHE 1 12.903 -3.868 -8.321
153 HA PHE 1 HA PHE 1 11.891 -5.978 -8.160
154 HB2 PHE 1 HB2 PHE 1 13.182 -8.015 -7.722
155 HB3 PHE 1 HB3 PHE 1 13.551 -7.325 -9.285
156 HD1 PHE 1 HD2 PHE 1 14.864 -8.039 -5.894
157 HD2 PHE 1 HD1 PHE 1 15.789 -6.421 -9.790
158 HE1 PHE 1 HE2 PHE 1 17.281 -8.065 -5.338
159 HE2 PHE 1 HE1 PHE 1 18.209 -6.446 -9.218
160 HZ PHE 1 HZ PHE 1 18.950 -7.281 -6.997
161 H VAL 2 H VAL 2 11.269 -6.874 -6.131
162 HA VAL 2 HA VAL 2 10.582 -6.709 -4.086
163 HB VAL 2 HB VAL 2 11.997 -6.867 -2.195
164 HG11 VAL 2 HG11 VAL 2 11.503 -8.841 -3.564
165 HG12 VAL 2 HG12 VAL 2 12.975 -8.572 -4.518
166 HG13 VAL 2 HG13 VAL 2 13.094 -8.973 -2.789
167 HG21 VAL 2 HG21 VAL 2 14.385 -6.891 -2.194
168 HG22 VAL 2 HG22 VAL 2 14.470 -6.608 -3.935
169 HG23 VAL 2 HG23 VAL 2 13.886 -5.328 -2.847
170 H ASN 3 H ASN 3 12.691 -3.960 -4.701
171 HA ASN 3 HA ASN 3 10.653 -2.193 -3.460
172 HB2 ASN 3 HB2 ASN 3 13.686 -1.934 -3.391
173 HB3 ASN 3 HB3 ASN 3 12.598 -0.595 -3.060
174 HD21 ASN 3 HD21 ASN 3 11.304 -0.581 -1.124
175 HD22 ASN 3 HD22 ASN 3 11.714 -1.665 0.194
176 H GLN 4 H GLN 4 10.001 -0.480 -4.781
177 HA GLN 4 HA GLN 4 11.302 0.027 -7.379
178 HB2 GLN 4 HB2 GLN 4 9.756 -2.193 -7.321
179 HB3 GLN 4 HB3 GLN 4 8.459 -1.020 -7.408
180 HG2 GLN 4 HG2 GLN 4 8.939 -1.805 -9.622
181 HG3 GLN 4 HG3 GLN 4 9.473 -0.138 -9.543
182 HE21 GLN 4 HE21 GLN 4 11.281 -0.045 -10.944
183 HE22 GLN 4 HE22 GLN 4 12.615 -1.181 -10.850
184 H HIS 5 H HIS 5 10.174 1.704 -8.639
185 HA HIS 5 HA HIS 5 8.432 3.527 -7.025
186 HB2 HIS 5 HB2 HIS 5 10.008 3.973 -9.603
187 HB3 HIS 5 HB3 HIS 5 8.926 5.144 -8.860
188 HD1 HIS 5 HD1 HIS 5 9.739 6.163 -6.420
189 HD2 HIS 5 HD2 HIS 5 12.485 3.811 -8.561
190 HE1 HIS 5 HE1 HIS 5 12.038 6.770 -5.526
191 H LEU 6 H LEU 6 6.315 3.787 -7.638
192 HA LEU 6 HA LEU 6 5.262 2.565 -10.132
193 HB2 LEU 6 HB2 LEU 6 4.501 1.736 -7.294
194 HB3 LEU 6 HB3 LEU 6 3.547 1.344 -8.713
195 HG LEU 6 HG LEU 6 6.424 0.409 -8.315
196 HD11 LEU 6 HD11 LEU 6 3.798 -0.996 -7.719
197 HD12 LEU 6 HD12 LEU 6 5.017 -0.479 -6.542
198 HD13 LEU 6 HD13 LEU 6 5.397 -1.767 -7.700
199 HD21 LEU 6 HD21 LEU 6 4.220 -0.479 -10.241
200 HD22 LEU 6 HD22 LEU 6 5.818 -1.242 -10.067
201 HD23 LEU 6 HD23 LEU 6 5.691 0.411 -10.677
202 H CYS 7 HN CYS 7 3.355 3.494 -10.826
203 HA CYS 7 HA CYS 7 1.871 5.354 -9.086
204 HB2 CYS 7 HB2 CYS 7 4.007 6.420 -10.232
205 HB3 CYS 7 HB3 CYS 7 3.004 6.452 -11.669
206 H GLY 8 H GLY 8 -0.206 5.843 -9.829
207 HA2 GLY 8 HA2 GLY 8 -2.208 5.532 -10.962
208 HA3 GLY 8 HA3 GLY 8 -1.200 5.791 -12.384
209 H SER 9 H SER 9 -1.690 4.370 -13.894
210 HA SER 9 HA SER 9 -2.986 1.864 -13.562
211 HB2 SER 9 HB2 SER 9 -2.310 1.543 -15.954
212 HB3 SER 9 HB3 SER 9 -3.155 3.063 -15.612
213 HG SER 9 HG SER 9 -1.293 3.367 -16.959
214 H HIS 10 H HIS 10 0.509 2.641 -13.662
215 HA HIS 10 HA HIS 10 1.352 -0.141 -13.866
216 HB2 HIS 10 HB2 HIS 10 2.677 1.839 -14.612
217 HB3 HIS 10 HB3 HIS 10 2.892 2.316 -12.927
218 HD1 HIS 10 HD1 HIS 10 5.574 2.058 -13.476
219 HD2 HIS 10 HD2 HIS 10 3.253 -1.451 -13.642
220 HE1 HIS 10 HE1 HIS 10 7.210 0.113 -13.479
221 H LEU 11 H LEU 11 0.773 2.098 -11.132
222 HA LEU 11 HA LEU 11 1.572 0.241 -9.054
223 HB2 LEU 11 HB2 LEU 11 1.402 2.665 -8.681
224 HB3 LEU 11 HB3 LEU 11 -0.315 2.643 -9.060
225 HG LEU 11 HG LEU 11 -0.759 1.298 -7.030
226 HD11 LEU 11 HD11 LEU 11 1.013 1.026 -5.315
227 HD12 LEU 11 HD12 LEU 11 2.216 1.683 -6.436
228 HD13 LEU 11 HD13 LEU 11 1.428 0.132 -6.778
229 HD21 LEU 11 HD21 LEU 11 -0.856 3.780 -7.035
230 HD22 LEU 11 HD22 LEU 11 0.858 3.839 -6.534
231 HD23 LEU 11 HD23 LEU 11 -0.371 3.141 -5.463
232 H VAL 12 H VAL 12 -1.585 0.981 -10.537
233 HA VAL 12 HA VAL 12 -3.127 -0.941 -9.102
234 HB VAL 12 HB VAL 12 -3.474 0.320 -11.834
235 HG11 VAL 12 HG11 VAL 12 -4.675 -1.795 -12.034
236 HG12 VAL 12 HG12 VAL 12 -5.426 -1.557 -10.444
237 HG13 VAL 12 HG13 VAL 12 -5.840 -0.490 -11.809
238 HG21 VAL 12 HG21 VAL 12 -5.259 1.582 -10.693
239 HG22 VAL 12 HG22 VAL 12 -4.979 0.667 -9.197
240 HG23 VAL 12 HG23 VAL 12 -3.741 1.777 -9.814
241 H GLU 13 H GLU 13 -1.353 -1.320 -12.234
242 HA GLU 13 HA GLU 13 -1.989 -4.070 -12.611
243 HB2 GLU 13 HB2 GLU 13 -1.109 -2.553 -14.342
244 HB3 GLU 13 HB3 GLU 13 0.461 -2.507 -13.524
245 HG2 GLU 13 HG2 GLU 13 0.782 -4.901 -13.932
246 HG3 GLU 13 HG3 GLU 13 -0.867 -5.053 -14.552
247 H ALA 14 H ALA 14 0.807 -2.542 -10.901
248 HA ALA 14 HA ALA 14 2.108 -4.982 -10.180
249 HB1 ALA 14 HB1 ALA 14 3.245 -3.570 -8.489
250 HB2 ALA 14 HB2 ALA 14 3.191 -2.777 -10.080
251 HB3 ALA 14 HB3 ALA 14 2.076 -2.266 -8.786
252 H LEU 15 H LEU 15 -0.447 -3.109 -8.448
253 HA LEU 15 HA LEU 15 -0.652 -4.862 -6.181
254 HB2 LEU 15 HB2 LEU 15 -2.628 -3.025 -7.586
255 HB3 LEU 15 HB3 LEU 15 -3.070 -3.953 -6.164
256 HG LEU 15 HG LEU 15 -0.686 -2.079 -6.104
257 HD11 LEU 15 HD11 LEU 15 -2.213 -0.386 -5.118
258 HD12 LEU 15 HD12 LEU 15 -3.601 -1.435 -5.491
259 HD13 LEU 15 HD13 LEU 15 -2.627 -0.747 -6.803
260 HD21 LEU 15 HD21 LEU 15 -0.897 -3.746 -4.257
261 HD22 LEU 15 HD22 LEU 15 -2.538 -3.166 -3.920
262 HD23 LEU 15 HD23 LEU 15 -1.145 -2.095 -3.670
263 H TYR 16 H TYR 16 -2.400 -5.028 -9.368
264 HA TYR 16 HA TYR 16 -3.796 -7.450 -8.720
265 HB2 TYR 16 HB2 TYR 16 -2.923 -6.220 -11.361
266 HB3 TYR 16 HB3 TYR 16 -3.743 -7.769 -11.286
267 HD1 TYR 16 HD2 TYR 16 -5.917 -7.693 -9.566
268 HD2 TYR 16 HD1 TYR 16 -4.372 -4.496 -12.014
269 HE1 TYR 16 HE2 TYR 16 -8.171 -6.637 -9.600
270 HE2 TYR 16 HE1 TYR 16 -6.627 -3.449 -12.069
271 HH TYR 16 HH TYR 16 -8.818 -3.583 -11.382
272 H LEU 17 H LEU 17 -0.551 -7.016 -10.198
273 HA LEU 17 HA LEU 17 -0.023 -9.821 -10.532
274 HB2 LEU 17 HB2 LEU 17 1.783 -7.384 -10.277
275 HB3 LEU 17 HB3 LEU 17 2.409 -8.992 -10.601
276 HG LEU 17 HG LEU 17 0.369 -7.635 -12.417
277 HD11 LEU 17 HD11 LEU 17 2.450 -6.304 -12.320
278 HD12 LEU 17 HD12 LEU 17 2.282 -7.115 -13.889
279 HD13 LEU 17 HD13 LEU 17 3.405 -7.766 -12.674
280 HD21 LEU 17 HD21 LEU 17 0.424 -10.080 -12.672
281 HD22 LEU 17 HD22 LEU 17 2.195 -10.038 -12.835
282 HD23 LEU 17 HD23 LEU 17 1.158 -9.295 -14.073
283 H VAL 18 H VAL 18 0.754 -7.629 -7.799
284 HA VAL 18 HA VAL 18 2.116 -9.634 -6.263
285 HB VAL 18 HB VAL 18 0.868 -6.970 -5.528
286 HG11 VAL 18 HG11 VAL 18 2.416 -8.828 -3.675
287 HG12 VAL 18 HG12 VAL 18 2.075 -7.115 -3.350
288 HG13 VAL 18 HG13 VAL 18 0.743 -8.262 -3.452
289 HG21 VAL 18 HG21 VAL 18 2.984 -7.010 -6.901
290 HG22 VAL 18 HG22 VAL 18 3.227 -6.303 -5.304
291 HG23 VAL 18 HG23 VAL 18 3.762 -7.957 -5.630
292 H CYS 19 HN CYS 19 -1.345 -8.572 -6.209
293 HA CYS 19 HA CYS 19 -1.965 -10.356 -3.987
294 HB2 CYS 19 HB2 CYS 19 -3.812 -8.842 -5.867
295 HB3 CYS 19 HB3 CYS 19 -4.240 -9.563 -4.316
296 H GLY 20 H GLY 20 -2.288 -10.625 -7.503
297 HA2 GLY 20 HA2 GLY 20 -2.579 -12.564 -8.770
298 HA3 GLY 20 HA3 GLY 20 -2.875 -13.499 -7.286
299 H GLU 21 H GLU 21 -4.629 -14.530 -8.011
300 HA GLU 21 HA GLU 21 -6.626 -13.506 -9.700
301 HB2 GLU 21 HB2 GLU 21 -7.728 -15.622 -9.395
302 HB3 GLU 21 HB3 GLU 21 -6.001 -15.871 -9.541
303 HG2 GLU 21 HG2 GLU 21 -7.624 -15.961 -6.961
304 HG3 GLU 21 HG3 GLU 21 -7.065 -17.350 -7.868
305 H ARG 22 H ARG 22 -6.539 -13.274 -6.220
306 HA ARG 22 HA ARG 22 -9.429 -12.916 -5.869
307 HB2 ARG 22 HB2 ARG 22 -7.094 -12.386 -4.010
308 HB3 ARG 22 HB3 ARG 22 -8.801 -12.450 -3.537
309 HG2 ARG 22 HG2 ARG 22 -8.940 -14.828 -4.138
310 HG3 ARG 22 HG3 ARG 22 -7.272 -14.803 -4.693
311 HD2 ARG 22 HD2 ARG 22 -8.291 -14.600 -1.867
312 HD3 ARG 22 HD3 ARG 22 -7.204 -15.807 -2.547
313 HE ARG 22 HE ARG 22 -6.491 -13.313 -1.327
314 HH11 ARG 22 HH11 ARG 22 -5.266 -15.197 -4.157
315 HH12 ARG 22 HH12 ARG 22 -3.866 -14.165 -4.191
316 HH21 ARG 22 HH21 ARG 22 -4.728 -12.285 -1.418
317 HH22 ARG 22 HH22 ARG 22 -3.487 -12.617 -2.638
318 H GLY 23 H GLY 23 -6.777 -10.816 -6.662
319 HA2 GLY 23 HA2 GLY 23 -6.646 -8.523 -7.025
320 HA3 GLY 23 HA3 GLY 23 -8.391 -8.413 -6.730
321 H PHE 24 H PHE 24 -7.835 -6.417 -5.736
322 HA PHE 24 HA PHE 24 -6.769 -6.557 -2.957
323 HB2 PHE 24 HB2 PHE 24 -5.871 -4.255 -3.482
324 HB3 PHE 24 HB3 PHE 24 -5.151 -5.565 -4.379
325 HD1 PHE 24 HD2 PHE 24 -7.904 -2.984 -4.775
326 HD2 PHE 24 HD1 PHE 24 -4.865 -5.380 -6.688
327 HE1 PHE 24 HE2 PHE 24 -8.290 -1.780 -6.892
328 HE2 PHE 24 HE1 PHE 24 -5.225 -4.130 -8.790
329 HZ PHE 24 HZ PHE 24 -6.956 -2.344 -8.912
330 H PHE 25 H PHE 25 -7.415 -4.800 -1.555
331 HA PHE 25 HA PHE 25 -10.165 -3.742 -2.069
332 HB2 PHE 25 HB2 PHE 25 -10.398 -3.462 0.290
333 HB3 PHE 25 HB3 PHE 25 -9.968 -5.117 -0.066
334 HD1 PHE 25 HD1 PHE 25 -8.742 -1.905 1.377
335 HD2 PHE 25 HD2 PHE 25 -7.935 -6.105 0.832
336 HE1 PHE 25 HE1 PHE 25 -6.972 -1.789 3.108
337 HE2 PHE 25 HE2 PHE 25 -6.178 -5.984 2.585
338 HZ PHE 25 HZ PHE 25 -5.702 -3.825 3.732
339 H TYR 26 H TYR 26 -7.128 -2.825 -2.636
340 HA TYR 26 HA TYR 26 -6.496 -0.434 -1.474
341 HB2 TYR 26 HB2 TYR 26 -5.105 -1.718 -3.094
342 HB3 TYR 26 HB3 TYR 26 -6.150 -1.195 -4.404
343 HD1 TYR 26 HD1 TYR 26 -3.820 0.021 -1.784
344 HD2 TYR 26 HD2 TYR 26 -5.837 0.944 -5.467
345 HE1 TYR 26 HE1 TYR 26 -2.533 2.100 -1.935
346 HE2 TYR 26 HE2 TYR 26 -4.548 3.060 -5.645
347 HH TYR 26 HH TYR 26 -2.977 4.415 -4.689
348 H THR 27 H THR 27 -6.878 1.676 -1.653
349 HA THR 27 HA THR 27 -8.438 2.795 -3.898
350 HB THR 27 HB THR 27 -9.484 4.445 -2.299
351 HG1 THR 27 HG1 THR 27 -9.661 3.731 -0.137
352 HG21 THR 27 HG21 THR 27 -10.762 2.546 -3.300
353 HG22 THR 27 HG22 THR 27 -11.349 3.000 -1.692
354 HG23 THR 27 HG23 THR 27 -10.350 1.544 -1.889
355 HA PRO 28 HA PRO 28 -4.893 5.587 -3.559
356 HB2 PRO 28 HB2 PRO 28 -5.449 7.347 -5.548
357 HB3 PRO 28 HB3 PRO 28 -5.014 5.644 -5.894
358 HG2 PRO 28 HG2 PRO 28 -7.796 6.840 -5.710
359 HG3 PRO 28 HG3 PRO 28 -7.120 5.834 -7.029
360 HD2 PRO 28 HD2 PRO 28 -8.627 4.772 -4.999
361 HD3 PRO 28 HD3 PRO 28 -7.261 3.874 -5.717
362 H LYS 29 H LYS 29 -4.486 7.881 -3.015
363 HA LYS 29 HA LYS 29 -6.319 8.795 -0.992
364 HB2 LYS 29 HB2 LYS 29 -3.824 10.083 -2.181
365 HB3 LYS 29 HB3 LYS 29 -4.696 10.667 -0.757
366 HG2 LYS 29 HG2 LYS 29 -4.304 8.426 0.349
367 HG3 LYS 29 HG3 LYS 29 -3.325 7.958 -1.046
368 HD2 LYS 29 HD2 LYS 29 -1.817 8.654 0.656
369 HD3 LYS 29 HD3 LYS 29 -1.815 9.902 -0.595
370 HE2 LYS 29 HE2 LYS 29 -3.427 11.239 0.806
371 HE3 LYS 29 HE3 LYS 29 -3.325 10.003 2.065
372 HZ1 LYS 29 HZ1 LYS 29 -1.811 11.859 2.473
373 HZ2 LYS 29 HZ2 LYS 29 -1.074 11.636 1.028
374 HZ3 LYS 29 HZ3 LYS 29 -0.933 10.504 2.217
375 H THR 30 H THR 30 -6.383 9.392 -4.338
376 HA THR 30 HA THR 30 -7.833 11.946 -4.293
377 HB THR 30 HB THR 30 -8.287 11.303 -6.705
378 HG1 THR 30 HG1 THR 30 -7.112 9.509 -7.465
379 HG21 THR 30 HG21 THR 30 -6.319 12.685 -6.051
380 HG22 THR 30 HG22 THR 30 -5.981 11.654 -7.449
381 HG23 THR 30 HG23 THR 30 -5.353 11.206 -5.847
382 H LYS 31 H LYS 31 -8.682 8.553 -3.989
383 HA LYS 31 HA LYS 31 -11.591 9.177 -4.300
384 HB2 LYS 31 HB2 LYS 31 -10.021 6.576 -4.517
385 HB3 LYS 31 HB3 LYS 31 -11.778 6.705 -4.651
386 HG2 LYS 31 HG2 LYS 31 -11.535 8.230 -6.593
387 HG3 LYS 31 HG3 LYS 31 -9.774 8.035 -6.529
388 HD2 LYS 31 HD2 LYS 31 -10.052 5.573 -6.833
389 HD3 LYS 31 HD3 LYS 31 -11.795 5.788 -6.982
390 HE2 LYS 31 HE2 LYS 31 -9.699 7.064 -8.811
391 HE3 LYS 31 HE3 LYS 31 -10.554 5.567 -9.172
392 HZ1 LYS 31 HZ1 LYS 31 -11.624 7.429 -10.248
393 HZ2 LYS 31 HZ2 LYS 31 -11.852 8.214 -8.830
394 HZ3 LYS 31 HZ3 LYS 31 -12.640 6.812 -9.132
395 H ARG 32 H ARG 32 -9.558 9.118 -1.800
396 HA ARG 32 HA ARG 32 -10.651 7.367 0.163
397 HB2 ARG 32 HB2 ARG 32 -9.452 8.670 1.782
398 HB3 ARG 32 HB3 ARG 32 -8.479 8.502 0.333
399 HG2 ARG 32 HG2 ARG 32 -8.106 10.715 0.796
400 HG3 ARG 32 HG3 ARG 32 -9.490 10.887 -0.280
401 HD2 ARG 32 HD2 ARG 32 -10.932 10.915 1.906
402 HD3 ARG 32 HD3 ARG 32 -9.402 11.046 2.758
403 HE ARG 32 HE ARG 32 -9.212 13.251 2.089
404 HH11 ARG 32 HH11 ARG 32 -11.800 11.813 0.143
405 HH12 ARG 32 HH12 ARG 32 -12.284 13.381 -0.460
406 HH21 ARG 32 HH21 ARG 32 -9.905 15.175 1.243
407 HH22 ARG 32 HH22 ARG 32 -11.242 15.210 0.128
Start of MODEL 25
1 H1 GLY 1 1H GLY 1 -4.834 5.607 2.186
2 H2 GLY 1 2H GLY 1 -3.391 6.268 1.761
3 H3 GLY 1 3H GLY 1 -3.431 4.827 2.558
4 HA2 GLY 1 HA2 GLY 1 -4.530 3.801 0.647
5 HA3 GLY 1 HA3 GLY 1 -4.381 5.376 -0.171
6 H ILE 2 H ILE 2 -3.329 3.165 -1.360
7 HA ILE 2 HA ILE 2 -0.446 3.015 -0.719
8 HB ILE 2 HB ILE 2 -1.769 0.992 -1.154
9 HG12 ILE 2 HG12 ILE 2 -0.256 -0.176 -2.674
10 HG13 ILE 2 HG13 ILE 2 0.430 1.351 -3.220
11 HG21 ILE 2 HG21 ILE 2 -2.508 0.326 -3.358
12 HG22 ILE 2 HG22 ILE 2 -3.327 1.822 -2.891
13 HG23 ILE 2 HG23 ILE 2 -1.980 1.864 -4.058
14 HD11 ILE 2 HD11 ILE 2 1.370 1.766 -0.984
15 HD12 ILE 2 HD12 ILE 2 0.516 0.343 -0.338
16 HD13 ILE 2 HD13 ILE 2 1.824 0.141 -1.510
17 H VAL 3 H VAL 3 -2.428 4.487 -3.225
18 HA VAL 3 HA VAL 3 -0.315 4.677 -5.152
19 HB VAL 3 HB VAL 3 -2.621 4.604 -5.811
20 HG11 VAL 3 HG11 VAL 3 -3.687 5.928 -4.052
21 HG12 VAL 3 HG12 VAL 3 -2.973 7.421 -4.710
22 HG13 VAL 3 HG13 VAL 3 -4.153 6.505 -5.661
23 HG21 VAL 3 HG21 VAL 3 -2.596 6.323 -7.574
24 HG22 VAL 3 HG22 VAL 3 -1.313 7.193 -6.726
25 HG23 VAL 3 HG23 VAL 3 -1.009 5.563 -7.380
26 H GLU 4 H GLU 4 -1.489 7.018 -2.703
27 HA GLU 4 HA GLU 4 0.339 9.085 -3.560
28 HB2 GLU 4 HB2 GLU 4 -0.407 10.328 -1.728
29 HB3 GLU 4 HB3 GLU 4 -1.815 9.542 -2.400
30 HG2 GLU 4 HG2 GLU 4 -0.357 8.452 0.050
31 HG3 GLU 4 HG3 GLU 4 -1.554 9.734 0.143
32 H GLN 5 H GLN 5 1.059 6.155 -2.181
33 HA GLN 5 HA GLN 5 3.518 7.193 -0.822
34 HB2 GLN 5 HB2 GLN 5 2.013 5.755 0.533
35 HB3 GLN 5 HB3 GLN 5 2.192 4.448 -0.640
36 HG2 GLN 5 HG2 GLN 5 4.601 4.316 -0.184
37 HG3 GLN 5 HG3 GLN 5 4.500 5.724 0.888
38 HE21 GLN 5 HE21 GLN 5 3.107 5.457 2.925
39 HE22 GLN 5 HE22 GLN 5 2.988 3.839 3.591
40 H CYS 6 HN CYS 6 2.453 4.478 -3.007
41 HA CYS 6 HA CYS 6 5.128 3.869 -3.845
42 HB2 CYS 6 HB2 CYS 6 2.360 3.154 -4.828
43 HB3 CYS 6 HB3 CYS 6 3.800 2.648 -5.697
44 H CYS 7 HN CYS 7 2.781 6.169 -5.297
45 HA CYS 7 HA CYS 7 4.429 6.591 -7.694
46 HB2 CYS 7 HB2 CYS 7 2.338 8.365 -6.380
47 HB3 CYS 7 HB3 CYS 7 3.078 8.669 -7.941
48 H THR 8 H THR 8 3.996 8.272 -4.595
49 HA THR 8 HA THR 8 5.679 10.509 -5.109
50 HB THR 8 HB THR 8 4.788 9.347 -2.442
51 HG1 THR 8 HG1 THR 8 2.904 10.247 -2.808
52 HG21 THR 8 HG21 THR 8 5.430 12.211 -3.288
53 HG22 THR 8 HG22 THR 8 6.372 11.213 -2.163
54 HG23 THR 8 HG23 THR 8 4.744 11.721 -1.722
55 H SER 9 H SER 9 6.312 7.421 -3.450
56 HA SER 9 HA SER 9 9.236 8.042 -3.339
57 HB2 SER 9 HB2 SER 9 7.533 6.778 -1.156
58 HB3 SER 9 HB3 SER 9 9.280 7.015 -1.098
59 HG SER 9 HG SER 9 8.941 9.275 -1.092
60 H ILE 10 H ILE 10 10.537 6.039 -2.906
61 HA ILE 10 HA ILE 10 9.818 3.807 -4.608
62 HB ILE 10 HB ILE 10 12.023 4.363 -2.586
63 HG12 ILE 10 HG12 ILE 10 11.933 4.018 -5.617
64 HG13 ILE 10 HG13 ILE 10 12.112 5.533 -4.735
65 HG21 ILE 10 HG21 ILE 10 13.120 2.236 -3.237
66 HG22 ILE 10 HG22 ILE 10 11.631 1.983 -2.359
67 HG23 ILE 10 HG23 ILE 10 11.652 1.773 -4.120
68 HD11 ILE 10 HD11 ILE 10 14.306 4.695 -3.827
69 HD12 ILE 10 HD12 ILE 10 14.164 3.303 -4.937
70 HD13 ILE 10 HD13 ILE 10 14.243 4.943 -5.586
71 H CYS 11 HN CYS 11 8.737 1.967 -4.194
72 HA CYS 11 HA CYS 11 8.230 1.198 -1.380
73 HB2 CYS 11 HB2 CYS 11 5.937 0.951 -1.637
74 HB3 CYS 11 HB3 CYS 11 6.275 2.513 -2.353
75 H SER 12 H SER 12 7.592 -0.945 -1.062
76 HA SER 12 HA SER 12 8.913 -2.875 -2.944
77 HB2 SER 12 HB2 SER 12 9.949 -2.533 -0.720
78 HB3 SER 12 HB3 SER 12 8.427 -3.009 0.058
79 HG SER 12 HG SER 12 10.008 -4.739 -0.153
80 H LEU 13 H LEU 13 8.069 -5.064 -2.991
81 HA LEU 13 HA LEU 13 5.237 -5.275 -3.448
82 HB2 LEU 13 HB2 LEU 13 7.200 -7.496 -2.800
83 HB3 LEU 13 HB3 LEU 13 5.646 -7.652 -3.622
84 HG LEU 13 HG LEU 13 8.228 -6.450 -4.668
85 HD11 LEU 13 HD11 LEU 13 7.987 -8.905 -4.752
86 HD12 LEU 13 HD12 LEU 13 7.986 -8.211 -6.384
87 HD13 LEU 13 HD13 LEU 13 6.463 -8.729 -5.659
88 HD21 LEU 13 HD21 LEU 13 5.542 -6.375 -6.095
89 HD22 LEU 13 HD22 LEU 13 7.113 -5.937 -6.793
90 HD23 LEU 13 HD23 LEU 13 6.428 -4.962 -5.488
91 H TYR 14 H TYR 14 7.166 -5.669 -0.513
92 HA TYR 14 HA TYR 14 5.205 -6.929 1.143
93 HB2 TYR 14 HB2 TYR 14 7.594 -6.718 1.694
94 HB3 TYR 14 HB3 TYR 14 7.440 -4.968 1.793
95 HD1 TYR 14 HD1 TYR 14 6.166 -8.157 3.317
96 HD2 TYR 14 HD2 TYR 14 6.868 -3.940 3.856
97 HE1 TYR 14 HE1 TYR 14 5.554 -8.367 5.717
98 HE2 TYR 14 HE2 TYR 14 6.257 -4.134 6.252
99 HH TYR 14 HH TYR 14 5.575 -5.540 7.941
100 H GLN 15 H GLN 15 5.497 -3.572 0.088
101 HA GLN 15 HA GLN 15 3.447 -2.559 1.978
102 HB2 GLN 15 HB2 GLN 15 4.936 -1.309 -0.359
103 HB3 GLN 15 HB3 GLN 15 3.700 -0.468 0.562
104 HG2 GLN 15 HG2 GLN 15 4.988 -0.428 2.542
105 HG3 GLN 15 HG3 GLN 15 6.055 -1.722 2.009
106 HE21 GLN 15 HE22 GLN 15 5.305 1.763 1.436
107 HE22 GLN 15 HE21 GLN 15 6.908 2.085 0.775
108 H LEU 16 H LEU 16 3.671 -3.663 -1.406
109 HA LEU 16 HA LEU 16 0.909 -3.084 -2.076
110 HB2 LEU 16 HB2 LEU 16 2.806 -5.195 -3.207
111 HB3 LEU 16 HB3 LEU 16 1.297 -4.678 -3.923
112 HG LEU 16 HG LEU 16 3.847 -3.040 -3.592
113 HD11 LEU 16 HD11 LEU 16 3.804 -3.015 -6.055
114 HD12 LEU 16 HD12 LEU 16 2.326 -4.000 -6.055
115 HD13 LEU 16 HD13 LEU 16 3.853 -4.668 -5.438
116 HD21 LEU 16 HD21 LEU 16 1.179 -2.095 -4.727
117 HD22 LEU 16 HD22 LEU 16 2.725 -1.226 -4.837
118 HD23 LEU 16 HD23 LEU 16 1.977 -1.481 -3.262
119 H GLU 17 H GLU 17 2.475 -6.015 -0.777
120 HA GLU 17 HA GLU 17 0.261 -7.712 -0.579
121 HB2 GLU 17 HB2 GLU 17 2.701 -7.409 1.187
122 HB3 GLU 17 HB3 GLU 17 1.447 -8.597 1.533
123 HG2 GLU 17 HG2 GLU 17 1.724 -9.571 -0.738
124 HG3 GLU 17 HG3 GLU 17 3.081 -8.475 -1.020
125 H ASN 18 H ASN 18 0.999 -4.955 1.582
126 HA ASN 18 HA ASN 18 -0.852 -5.578 3.647
127 HB2 ASN 18 HB2 ASN 18 0.964 -3.907 3.792
128 HB3 ASN 18 HB3 ASN 18 0.102 -2.889 2.633
129 HD21 ASN 18 HD21 ASN 18 -1.606 -1.547 3.381
130 HD22 ASN 18 HD22 ASN 18 -2.097 -1.522 5.065
131 H TYR 19 H TYR 19 -1.400 -4.329 0.419
132 HA TYR 19 HA TYR 19 -4.215 -3.543 1.025
133 HB2 TYR 19 HB2 TYR 19 -2.256 -2.877 -1.188
134 HB3 TYR 19 HB3 TYR 19 -3.976 -2.608 -1.374
135 HD1 TYR 19 HD1 TYR 19 -1.027 -1.679 0.729
136 HD2 TYR 19 HD2 TYR 19 -5.100 -0.778 -0.342
137 HE1 TYR 19 HE1 TYR 19 -0.903 0.422 2.055
138 HE2 TYR 19 HE2 TYR 19 -4.989 1.328 0.988
139 HH TYR 19 HH TYR 19 -2.051 2.283 2.803
140 H CYS 20 HN CYS 20 -2.695 -6.385 0.031
141 HA CYS 20 HA CYS 20 -4.571 -7.238 -2.006
142 HB2 CYS 20 HB2 CYS 20 -2.876 -8.859 -0.072
143 HB3 CYS 20 HB3 CYS 20 -3.745 -9.511 -1.447
144 H ASN 21 H ASN 21 -6.267 -8.662 -1.883
145 HA ASN 21 HA ASN 21 -7.992 -8.604 0.504
146 HB2 ASN 21 HB2 ASN 21 -8.201 -10.011 -2.188
147 HB3 ASN 21 HB3 ASN 21 -9.451 -10.043 -0.966
148 HD21 ASN 21 HD22 ASN 21 -9.882 -9.187 -3.588
149 HD22 ASN 21 HD21 ASN 21 -10.342 -7.481 -3.495
150 H1 PHE 1 H1 PHE 1 16.628 -3.822 -6.695
151 H2 PHE 1 H2 PHE 1 16.317 -4.408 -8.190
152 H3 PHE 1 H3 PHE 1 17.538 -5.047 -7.298
153 HA PHE 1 HA PHE 1 15.686 -6.528 -7.361
154 HB2 PHE 1 HB2 PHE 1 15.433 -6.997 -5.028
155 HB3 PHE 1 HB3 PHE 1 17.086 -6.524 -5.358
156 HD1 PHE 1 HD2 PHE 1 17.927 -4.245 -4.585
157 HD2 PHE 1 HD1 PHE 1 14.077 -5.810 -3.407
158 HE1 PHE 1 HE2 PHE 1 17.848 -2.639 -2.720
159 HE2 PHE 1 HE1 PHE 1 14.025 -4.235 -1.503
160 HZ PHE 1 HZ PHE 1 15.901 -2.619 -1.155
161 H VAL 2 H VAL 2 13.436 -6.760 -5.907
162 HA VAL 2 HA VAL 2 11.618 -5.139 -7.473
163 HB VAL 2 HB VAL 2 9.816 -6.541 -6.429
164 HG11 VAL 2 HG11 VAL 2 10.852 -7.060 -8.600
165 HG12 VAL 2 HG12 VAL 2 12.097 -8.021 -7.790
166 HG13 VAL 2 HG13 VAL 2 10.404 -8.534 -7.724
167 HG21 VAL 2 HG21 VAL 2 10.957 -7.222 -4.294
168 HG22 VAL 2 HG22 VAL 2 10.450 -8.620 -5.258
169 HG23 VAL 2 HG23 VAL 2 12.148 -8.134 -5.239
170 H ASN 3 H ASN 3 12.490 -3.176 -6.387
171 HA ASN 3 HA ASN 3 10.538 -2.099 -4.468
172 HB2 ASN 3 HB2 ASN 3 12.170 -3.183 -2.990
173 HB3 ASN 3 HB3 ASN 3 13.491 -2.385 -3.849
174 HD21 ASN 3 HD21 ASN 3 14.370 -0.897 -2.450
175 HD22 ASN 3 HD22 ASN 3 13.416 0.217 -1.483
176 H GLN 4 H GLN 4 9.964 -0.246 -5.531
177 HA GLN 4 HA GLN 4 11.813 1.760 -6.502
178 HB2 GLN 4 HB2 GLN 4 11.064 -0.445 -8.313
179 HB3 GLN 4 HB3 GLN 4 10.506 1.081 -8.942
180 HG2 GLN 4 HG2 GLN 4 13.391 0.491 -8.166
181 HG3 GLN 4 HG3 GLN 4 12.723 0.434 -9.789
182 HE21 GLN 4 HE21 GLN 4 14.770 2.019 -9.820
183 HE22 GLN 4 HE22 GLN 4 14.320 3.712 -9.681
184 H HIS 5 H HIS 5 10.457 3.361 -8.026
185 HA HIS 5 HA HIS 5 7.924 4.032 -6.689
186 HB2 HIS 5 HB2 HIS 5 9.297 5.081 -9.204
187 HB3 HIS 5 HB3 HIS 5 7.745 5.656 -8.623
188 HD1 HIS 5 HD1 HIS 5 7.815 7.612 -6.913
189 HD2 HIS 5 HD2 HIS 5 11.479 5.635 -7.513
190 HE1 HIS 5 HE1 HIS 5 9.593 9.026 -5.760
191 H LEU 6 H LEU 6 5.916 3.447 -7.338
192 HA LEU 6 HA LEU 6 5.431 2.169 -9.988
193 HB2 LEU 6 HB2 LEU 6 4.637 1.070 -7.260
194 HB3 LEU 6 HB3 LEU 6 3.848 0.569 -8.749
195 HG LEU 6 HG LEU 6 6.839 0.237 -8.260
196 HD11 LEU 6 HD11 LEU 6 4.560 -1.742 -7.895
197 HD12 LEU 6 HD12 LEU 6 5.569 -1.049 -6.603
198 HD13 LEU 6 HD13 LEU 6 6.292 -2.138 -7.804
199 HD21 LEU 6 HD21 LEU 6 6.226 0.212 -10.663
200 HD22 LEU 6 HD22 LEU 6 4.947 -0.971 -10.338
201 HD23 LEU 6 HD23 LEU 6 6.653 -1.416 -10.120
202 H CYS 7 HN CYS 7 3.751 3.154 -10.984
203 HA CYS 7 HA CYS 7 1.671 4.490 -9.337
204 HB2 CYS 7 HB2 CYS 7 3.725 5.970 -9.905
205 HB3 CYS 7 HB3 CYS 7 3.117 5.965 -11.559
206 H GLY 8 H GLY 8 -0.267 4.981 -10.353
207 HA2 GLY 8 HA2 GLY 8 -2.070 4.628 -11.758
208 HA3 GLY 8 HA3 GLY 8 -0.897 4.909 -13.044
209 H SER 9 H SER 9 -1.263 3.450 -14.569
210 HA SER 9 HA SER 9 -2.356 0.887 -14.373
211 HB2 SER 9 HB2 SER 9 -0.277 1.830 -16.381
212 HB3 SER 9 HB3 SER 9 -1.471 0.541 -16.613
213 HG SER 9 HG SER 9 -3.116 2.101 -16.589
214 H HIS 10 H HIS 10 1.130 1.771 -13.950
215 HA HIS 10 HA HIS 10 1.951 -1.036 -13.884
216 HB2 HIS 10 HB2 HIS 10 3.359 1.584 -13.286
217 HB3 HIS 10 HB3 HIS 10 4.114 0.004 -13.134
218 HD1 HIS 10 HD1 HIS 10 3.485 -1.537 -15.680
219 HD2 HIS 10 HD2 HIS 10 4.024 2.652 -15.576
220 HE1 HIS 10 HE1 HIS 10 4.079 -0.825 -18.051
221 H LEU 11 H LEU 11 0.966 1.344 -11.431
222 HA LEU 11 HA LEU 11 1.699 -0.365 -9.177
223 HB2 LEU 11 HB2 LEU 11 1.368 2.070 -8.934
224 HB3 LEU 11 HB3 LEU 11 -0.316 1.917 -9.424
225 HG LEU 11 HG LEU 11 -0.808 0.604 -7.389
226 HD11 LEU 11 HD11 LEU 11 0.898 0.508 -5.558
227 HD12 LEU 11 HD12 LEU 11 2.124 1.103 -6.699
228 HD13 LEU 11 HD13 LEU 11 1.350 -0.480 -6.948
229 HD21 LEU 11 HD21 LEU 11 -0.535 2.457 -5.789
230 HD22 LEU 11 HD22 LEU 11 -1.066 3.039 -7.372
231 HD23 LEU 11 HD23 LEU 11 0.634 3.234 -6.867
232 H VAL 12 H VAL 12 -1.289 0.180 -11.020
233 HA VAL 12 HA VAL 12 -2.936 -1.750 -9.709
234 HB VAL 12 HB VAL 12 -2.974 -0.524 -12.473
235 HG11 VAL 12 HG11 VAL 12 -4.025 -2.692 -12.844
236 HG12 VAL 12 HG12 VAL 12 -5.027 -2.490 -11.386
237 HG13 VAL 12 HG13 VAL 12 -5.271 -1.436 -12.796
238 HG21 VAL 12 HG21 VAL 12 -4.815 -0.253 -10.058
239 HG22 VAL 12 HG22 VAL 12 -3.563 0.912 -10.535
240 HG23 VAL 12 HG23 VAL 12 -4.957 0.642 -11.584
241 H GLU 13 H GLU 13 -0.805 -2.115 -12.581
242 HA GLU 13 HA GLU 13 -1.106 -4.895 -13.027
243 HB2 GLU 13 HB2 GLU 13 -0.037 -3.361 -14.570
244 HB3 GLU 13 HB3 GLU 13 1.219 -2.986 -13.388
245 HG2 GLU 13 HG2 GLU 13 2.152 -5.232 -13.586
246 HG3 GLU 13 HG3 GLU 13 0.836 -5.696 -14.675
247 H ALA 14 H ALA 14 1.355 -3.196 -10.918
248 HA ALA 14 HA ALA 14 2.566 -5.609 -10.023
249 HB1 ALA 14 HB1 ALA 14 3.598 -4.184 -8.325
250 HB2 ALA 14 HB2 ALA 14 3.583 -3.348 -9.884
251 HB3 ALA 14 HB3 ALA 14 2.405 -2.901 -8.633
252 H LEU 15 H LEU 15 -0.167 -3.741 -8.619
253 HA LEU 15 HA LEU 15 -0.568 -5.431 -6.325
254 HB2 LEU 15 HB2 LEU 15 -2.377 -3.579 -7.918
255 HB3 LEU 15 HB3 LEU 15 -2.942 -4.453 -6.507
256 HG LEU 15 HG LEU 15 -0.513 -2.662 -6.327
257 HD11 LEU 15 HD11 LEU 15 -3.399 -1.833 -5.788
258 HD12 LEU 15 HD12 LEU 15 -2.430 -1.305 -7.175
259 HD13 LEU 15 HD13 LEU 15 -1.942 -0.853 -5.536
260 HD21 LEU 15 HD21 LEU 15 -2.543 -3.607 -4.244
261 HD22 LEU 15 HD22 LEU 15 -1.118 -2.606 -3.929
262 HD23 LEU 15 HD23 LEU 15 -0.920 -4.286 -4.461
263 H TYR 16 H TYR 16 -1.931 -5.708 -9.677
264 HA TYR 16 HA TYR 16 -3.426 -8.101 -9.088
265 HB2 TYR 16 HB2 TYR 16 -2.286 -6.935 -11.648
266 HB3 TYR 16 HB3 TYR 16 -3.027 -8.522 -11.629
267 HD1 TYR 16 HD1 TYR 16 -5.385 -8.505 -10.146
268 HD2 TYR 16 HD2 TYR 16 -3.737 -5.339 -12.559
269 HE1 TYR 16 HE1 TYR 16 -7.664 -7.554 -10.439
270 HE2 TYR 16 HE2 TYR 16 -6.023 -4.391 -12.869
271 HH TYR 16 HH TYR 16 -8.931 -5.884 -11.387
272 H LEU 17 H LEU 17 -0.027 -7.694 -10.207
273 HA LEU 17 HA LEU 17 0.476 -10.528 -10.367
274 HB2 LEU 17 HB2 LEU 17 2.182 -8.034 -10.355
275 HB3 LEU 17 HB3 LEU 17 2.948 -9.576 -10.009
276 HG LEU 17 HG LEU 17 2.057 -10.539 -12.108
277 HD11 LEU 17 HD11 LEU 17 1.276 -7.712 -12.906
278 HD12 LEU 17 HD12 LEU 17 0.123 -9.022 -12.540
279 HD13 LEU 17 HD13 LEU 17 1.225 -9.162 -13.914
280 HD21 LEU 17 HD21 LEU 17 4.344 -9.623 -11.964
281 HD22 LEU 17 HD22 LEU 17 3.746 -8.016 -12.436
282 HD23 LEU 17 HD23 LEU 17 3.668 -9.378 -13.582
283 H VAL 18 H VAL 18 1.055 -8.209 -7.689
284 HA VAL 18 HA VAL 18 2.244 -10.185 -5.980
285 HB VAL 18 HB VAL 18 1.045 -7.459 -5.402
286 HG11 VAL 18 HG11 VAL 18 0.828 -8.719 -3.289
287 HG12 VAL 18 HG12 VAL 18 2.504 -9.283 -3.440
288 HG13 VAL 18 HG13 VAL 18 2.145 -7.565 -3.164
289 HG21 VAL 18 HG21 VAL 18 3.195 -7.535 -6.680
290 HG22 VAL 18 HG22 VAL 18 3.427 -6.864 -5.057
291 HG23 VAL 18 HG23 VAL 18 3.909 -8.536 -5.405
292 H CYS 19 HN CYS 19 -1.157 -8.946 -6.143
293 HA CYS 19 HA CYS 19 -1.949 -10.669 -3.903
294 HB2 CYS 19 HB2 CYS 19 -3.630 -8.867 -5.671
295 HB3 CYS 19 HB3 CYS 19 -4.058 -9.532 -4.098
296 H GLY 20 H GLY 20 -2.050 -10.981 -7.383
297 HA2 GLY 20 HA2 GLY 20 -2.712 -12.741 -8.719
298 HA3 GLY 20 HA3 GLY 20 -2.937 -13.697 -7.243
299 H GLU 21 H GLU 21 -4.757 -14.681 -8.050
300 HA GLU 21 HA GLU 21 -7.009 -13.481 -9.245
301 HB2 GLU 21 HB2 GLU 21 -6.338 -15.876 -9.293
302 HB3 GLU 21 HB3 GLU 21 -6.845 -16.050 -7.614
303 HG2 GLU 21 HG2 GLU 21 -9.182 -15.566 -8.259
304 HG3 GLU 21 HG3 GLU 21 -8.673 -15.225 -9.915
305 H ARG 22 H ARG 22 -6.181 -13.598 -5.834
306 HA ARG 22 HA ARG 22 -8.778 -13.260 -4.686
307 HB2 ARG 22 HB2 ARG 22 -6.047 -12.341 -3.690
308 HB3 ARG 22 HB3 ARG 22 -7.531 -12.381 -2.733
309 HG2 ARG 22 HG2 ARG 22 -7.675 -14.842 -3.017
310 HG3 ARG 22 HG3 ARG 22 -6.186 -14.823 -3.975
311 HD2 ARG 22 HD2 ARG 22 -5.619 -15.489 -1.724
312 HD3 ARG 22 HD3 ARG 22 -4.945 -13.892 -2.046
313 HE ARG 22 HE ARG 22 -6.380 -12.904 -0.512
314 HH11 ARG 22 HH11 ARG 22 -7.310 -16.317 -0.778
315 HH12 ARG 22 HH12 ARG 22 -8.372 -16.219 0.596
316 HH21 ARG 22 HH21 ARG 22 -7.800 -12.823 1.165
317 HH22 ARG 22 HH22 ARG 22 -8.630 -14.262 1.706
318 H GLY 23 H GLY 23 -6.606 -10.961 -6.252
319 HA2 GLY 23 HA2 GLY 23 -6.937 -8.740 -6.881
320 HA3 GLY 23 HA3 GLY 23 -8.571 -8.797 -6.194
321 H PHE 24 H PHE 24 -7.823 -6.551 -5.657
322 HA PHE 24 HA PHE 24 -6.617 -6.411 -2.948
323 HB2 PHE 24 HB2 PHE 24 -5.038 -4.725 -3.747
324 HB3 PHE 24 HB3 PHE 24 -4.843 -6.249 -4.594
325 HD1 PHE 24 HD2 PHE 24 -5.925 -2.736 -4.959
326 HD2 PHE 24 HD1 PHE 24 -5.227 -6.481 -6.978
327 HE1 PHE 24 HE2 PHE 24 -6.006 -1.571 -7.155
328 HE2 PHE 24 HE1 PHE 24 -5.283 -5.305 -9.161
329 HZ PHE 24 HZ PHE 24 -5.680 -2.859 -9.251
330 H PHE 25 H PHE 25 -6.839 -4.452 -1.879
331 HA PHE 25 HA PHE 25 -9.251 -2.830 -2.494
332 HB2 PHE 25 HB2 PHE 25 -9.071 -3.685 -0.225
333 HB3 PHE 25 HB3 PHE 25 -7.421 -3.094 -0.075
334 HD1 PHE 25 HD1 PHE 25 -10.890 -1.787 -0.827
335 HD2 PHE 25 HD2 PHE 25 -7.074 -1.064 1.050
336 HE1 PHE 25 HE1 PHE 25 -11.721 0.388 0.025
337 HE2 PHE 25 HE2 PHE 25 -7.913 1.108 1.909
338 HZ PHE 25 HZ PHE 25 -10.235 1.841 1.395
339 H TYR 26 H TYR 26 -9.106 -0.579 -2.764
340 HA TYR 26 HA TYR 26 -6.458 0.704 -3.042
341 HB2 TYR 26 HB2 TYR 26 -6.859 -0.509 -5.166
342 HB3 TYR 26 HB3 TYR 26 -8.382 0.340 -5.374
343 HD1 TYR 26 HD2 TYR 26 -4.686 0.639 -5.406
344 HD2 TYR 26 HD1 TYR 26 -8.425 2.666 -6.139
345 HE1 TYR 26 HE2 TYR 26 -3.478 2.411 -6.676
346 HE2 TYR 26 HE1 TYR 26 -7.221 4.439 -7.398
347 HH TYR 26 HH TYR 26 -5.206 5.163 -8.210
348 H THR 27 H THR 27 -6.495 2.861 -2.793
349 HA THR 27 HA THR 27 -8.763 4.583 -3.068
350 HB THR 27 HB THR 27 -9.473 3.437 -1.014
351 HG1 THR 27 HG1 THR 27 -9.839 5.356 0.100
352 HG21 THR 27 HG21 THR 27 -7.038 4.674 0.337
353 HG22 THR 27 HG22 THR 27 -7.217 2.937 -0.035
354 HG23 THR 27 HG23 THR 27 -8.326 3.722 1.094
355 HA PRO 28 HA PRO 28 -5.083 7.213 -3.023
356 HB2 PRO 28 HB2 PRO 28 -6.083 9.506 -3.976
357 HB3 PRO 28 HB3 PRO 28 -6.182 8.015 -4.948
358 HG2 PRO 28 HG2 PRO 28 -8.338 9.182 -3.155
359 HG3 PRO 28 HG3 PRO 28 -8.486 8.696 -4.878
360 HD2 PRO 28 HD2 PRO 28 -9.150 7.031 -2.786
361 HD3 PRO 28 HD3 PRO 28 -8.497 6.422 -4.339
362 H LYS 29 H LYS 29 -5.003 9.901 -2.377
363 HA LYS 29 HA LYS 29 -4.541 9.795 0.406
364 HB2 LYS 29 HB2 LYS 29 -3.445 11.227 -1.367
365 HB3 LYS 29 HB3 LYS 29 -4.883 12.261 -1.360
366 HG2 LYS 29 HG2 LYS 29 -4.502 12.777 1.036
367 HG3 LYS 29 HG3 LYS 29 -3.096 11.700 1.060
368 HD2 LYS 29 HD2 LYS 29 -3.377 14.208 -0.660
369 HD3 LYS 29 HD3 LYS 29 -2.524 14.119 0.890
370 HE2 LYS 29 HE2 LYS 29 -0.975 12.408 -0.052
371 HE3 LYS 29 HE3 LYS 29 -1.785 12.550 -1.625
372 HZ1 LYS 29 HZ1 LYS 29 -1.110 14.880 -1.697
373 HZ2 LYS 29 HZ2 LYS 29 0.204 13.928 -1.520
374 HZ3 LYS 29 HZ3 LYS 29 -0.372 14.762 -0.239
375 H THR 30 H THR 30 -7.351 11.069 -1.334
376 HA THR 30 HA THR 30 -9.017 11.191 1.082
377 HB THR 30 HB THR 30 -7.787 13.231 1.337
378 HG1 THR 30 HG1 THR 30 -9.524 14.560 1.530
379 HG21 THR 30 HG21 THR 30 -7.066 13.761 -0.936
380 HG22 THR 30 HG22 THR 30 -7.944 15.116 -0.226
381 HG23 THR 30 HG23 THR 30 -8.739 14.085 -1.431
382 H LYS 31 H LYS 31 -10.593 13.220 -0.720
383 HA LYS 31 HA LYS 31 -12.255 11.321 -2.152
384 HB2 LYS 31 HB2 LYS 31 -13.489 13.273 -2.865
385 HB3 LYS 31 HB3 LYS 31 -13.099 13.410 -1.154
386 HG2 LYS 31 HG2 LYS 31 -11.217 14.971 -1.725
387 HG3 LYS 31 HG3 LYS 31 -11.656 14.843 -3.439
388 HD2 LYS 31 HD2 LYS 31 -13.901 15.763 -2.934
389 HD3 LYS 31 HD3 LYS 31 -13.462 15.891 -1.214
390 HE2 LYS 31 HE2 LYS 31 -11.591 17.424 -1.817
391 HE3 LYS 31 HE3 LYS 31 -12.029 17.291 -3.526
392 HZ1 LYS 31 HZ1 LYS 31 -13.775 18.414 -1.401
393 HZ2 LYS 31 HZ2 LYS 31 -14.181 18.295 -2.981
394 HZ3 LYS 31 HZ3 LYS 31 -12.971 19.287 -2.520
395 H ARG 32 H ARG 32 -9.243 12.333 -2.898
396 HA ARG 32 HA ARG 32 -9.114 11.485 -5.625
397 HB2 ARG 32 HB2 ARG 32 -8.454 13.598 -6.648
398 HB3 ARG 32 HB3 ARG 32 -10.096 13.712 -6.028
399 HG2 ARG 32 HG2 ARG 32 -9.214 14.926 -4.002
400 HG3 ARG 32 HG3 ARG 32 -7.586 14.856 -4.707
401 HD2 ARG 32 HD2 ARG 32 -8.400 16.118 -6.683
402 HD3 ARG 32 HD3 ARG 32 -10.023 16.179 -5.963
403 HE ARG 32 HE ARG 32 -8.094 17.249 -4.125
404 HH11 ARG 32 HH11 ARG 32 -9.668 18.175 -7.111
405 HH12 ARG 32 HH12 ARG 32 -9.493 19.876 -6.783
406 HH21 ARG 32 HH21 ARG 32 -7.924 19.431 -3.757
407 HH22 ARG 32 HH22 ARG 32 -8.535 20.560 -4.930
Start of MODEL 26
1 H1 GLY 1 1H GLY 1 -3.369 6.929 1.464
2 H2 GLY 1 2H GLY 1 -4.796 7.558 0.949
3 H3 GLY 1 3H GLY 1 -3.393 8.050 0.264
4 HA2 GLY 1 HA2 GLY 1 -4.560 5.346 0.088
5 HA3 GLY 1 HA3 GLY 1 -4.507 6.524 -1.238
6 H ILE 2 H ILE 2 -3.415 3.861 -1.307
7 HA ILE 2 HA ILE 2 -0.705 3.590 -0.605
8 HB ILE 2 HB ILE 2 -2.189 1.751 -1.243
9 HG12 ILE 2 HG12 ILE 2 0.429 1.867 -2.795
10 HG13 ILE 2 HG13 ILE 2 0.210 1.400 -1.113
11 HG21 ILE 2 HG21 ILE 2 -2.675 1.144 -3.548
12 HG22 ILE 2 HG22 ILE 2 -3.293 2.751 -3.217
13 HG23 ILE 2 HG23 ILE 2 -1.798 2.561 -4.152
14 HD11 ILE 2 HD11 ILE 2 -1.316 -0.499 -2.063
15 HD12 ILE 2 HD12 ILE 2 -0.568 -0.103 -3.621
16 HD13 ILE 2 HD13 ILE 2 0.441 -0.626 -2.265
17 H VAL 3 H VAL 3 -1.937 5.125 -3.539
18 HA VAL 3 HA VAL 3 0.559 5.266 -4.893
19 HB VAL 3 HB VAL 3 -1.731 5.690 -5.856
20 HG11 VAL 3 HG11 VAL 3 -1.313 8.555 -4.905
21 HG12 VAL 3 HG12 VAL 3 -2.616 7.943 -5.938
22 HG13 VAL 3 HG13 VAL 3 -2.503 7.412 -4.247
23 HG21 VAL 3 HG21 VAL 3 0.371 6.029 -7.126
24 HG22 VAL 3 HG22 VAL 3 -0.933 7.123 -7.635
25 HG23 VAL 3 HG23 VAL 3 0.384 7.732 -6.619
26 H GLU 4 H GLU 4 -0.626 7.230 -2.215
27 HA GLU 4 HA GLU 4 1.300 9.391 -2.547
28 HB2 GLU 4 HB2 GLU 4 -0.321 8.516 -0.128
29 HB3 GLU 4 HB3 GLU 4 0.617 9.997 -0.243
30 HG2 GLU 4 HG2 GLU 4 -0.794 10.833 -2.055
31 HG3 GLU 4 HG3 GLU 4 -1.724 9.326 -2.072
32 H GLN 5 H GLN 5 1.633 6.139 -1.514
33 HA GLN 5 HA GLN 5 4.183 6.724 -0.055
34 HB2 GLN 5 HB2 GLN 5 2.660 5.137 1.042
35 HB3 GLN 5 HB3 GLN 5 2.575 4.155 -0.417
36 HG2 GLN 5 HG2 GLN 5 5.043 3.705 -0.230
37 HG3 GLN 5 HG3 GLN 5 5.072 4.641 1.268
38 HE21 GLN 5 HE21 GLN 5 3.399 1.788 -0.269
39 HE22 GLN 5 HE22 GLN 5 3.232 0.932 1.251
40 H CYS 6 HN CYS 6 2.997 4.419 -2.572
41 HA CYS 6 HA CYS 6 5.645 3.822 -3.435
42 HB2 CYS 6 HB2 CYS 6 2.876 3.268 -4.531
43 HB3 CYS 6 HB3 CYS 6 4.329 2.682 -5.323
44 H CYS 7 HN CYS 7 3.466 6.319 -4.717
45 HA CYS 7 HA CYS 7 5.130 6.613 -7.156
46 HB2 CYS 7 HB2 CYS 7 2.645 6.970 -7.067
47 HB3 CYS 7 HB3 CYS 7 2.941 8.448 -6.142
48 H THR 8 H THR 8 4.527 8.402 -4.139
49 HA THR 8 HA THR 8 6.319 10.582 -4.583
50 HB THR 8 HB THR 8 5.323 9.420 -1.955
51 HG1 THR 8 HG1 THR 8 3.536 10.689 -2.297
52 HG21 THR 8 HG21 THR 8 5.356 11.799 -1.209
53 HG22 THR 8 HG22 THR 8 6.097 12.261 -2.760
54 HG23 THR 8 HG23 THR 8 6.973 11.219 -1.617
55 H SER 9 H SER 9 6.829 7.365 -3.152
56 HA SER 9 HA SER 9 9.754 7.866 -2.973
57 HB2 SER 9 HB2 SER 9 9.839 7.122 -0.674
58 HB3 SER 9 HB3 SER 9 8.776 8.523 -0.804
59 HG SER 9 HG SER 9 7.035 6.758 -1.000
60 H ILE 10 H ILE 10 10.934 5.786 -2.338
61 HA ILE 10 HA ILE 10 10.122 3.599 -4.061
62 HB ILE 10 HB ILE 10 12.329 4.005 -2.026
63 HG12 ILE 10 HG12 ILE 10 12.249 3.568 -5.047
64 HG13 ILE 10 HG13 ILE 10 12.498 5.105 -4.215
65 HG21 ILE 10 HG21 ILE 10 11.742 1.434 -3.538
66 HG22 ILE 10 HG22 ILE 10 13.262 1.773 -2.667
67 HG23 ILE 10 HG23 ILE 10 11.762 1.638 -1.777
68 HD11 ILE 10 HD11 ILE 10 14.625 4.379 -5.006
69 HD12 ILE 10 HD12 ILE 10 14.628 4.174 -3.242
70 HD13 ILE 10 HD13 ILE 10 14.420 2.765 -4.310
71 H CYS 11 HN CYS 11 9.011 1.818 -3.697
72 HA CYS 11 HA CYS 11 8.494 0.896 -0.931
73 HB2 CYS 11 HB2 CYS 11 6.199 0.631 -1.206
74 HB3 CYS 11 HB3 CYS 11 6.525 2.244 -1.813
75 H SER 12 H SER 12 7.427 -1.421 -1.117
76 HA SER 12 HA SER 12 8.579 -2.943 -3.416
77 HB2 SER 12 HB2 SER 12 10.169 -2.794 -1.394
78 HB3 SER 12 HB3 SER 12 9.013 -3.863 -0.573
79 HG SER 12 HG SER 12 10.597 -5.096 -1.655
80 H LEU 13 H LEU 13 7.982 -5.273 -3.318
81 HA LEU 13 HA LEU 13 5.167 -5.303 -3.744
82 HB2 LEU 13 HB2 LEU 13 7.063 -7.662 -3.561
83 HB3 LEU 13 HB3 LEU 13 5.509 -7.618 -4.388
84 HG LEU 13 HG LEU 13 8.064 -6.149 -5.161
85 HD11 LEU 13 HD11 LEU 13 8.005 -7.578 -7.148
86 HD12 LEU 13 HD12 LEU 13 6.501 -8.337 -6.586
87 HD13 LEU 13 HD13 LEU 13 8.010 -8.568 -5.682
88 HD21 LEU 13 HD21 LEU 13 6.923 -5.340 -7.171
89 HD22 LEU 13 HD22 LEU 13 6.172 -4.675 -5.724
90 HD23 LEU 13 HD23 LEU 13 5.386 -6.005 -6.604
91 H TYR 14 H TYR 14 7.014 -6.386 -0.931
92 HA TYR 14 HA TYR 14 4.904 -7.753 0.432
93 HB2 TYR 14 HB2 TYR 14 7.289 -7.902 0.997
94 HB3 TYR 14 HB3 TYR 14 7.303 -6.211 1.479
95 HD1 TYR 14 HD1 TYR 14 5.673 -9.507 2.253
96 HD2 TYR 14 HD2 TYR 14 6.800 -5.615 3.729
97 HE1 TYR 14 HE1 TYR 14 5.027 -10.197 4.555
98 HE2 TYR 14 HE2 TYR 14 6.129 -6.289 6.025
99 HH TYR 14 HH TYR 14 4.832 -9.562 6.751
100 H GLN 15 H GLN 15 5.507 -4.307 -0.006
101 HA GLN 15 HA GLN 15 3.585 -3.483 2.100
102 HB2 GLN 15 HB2 GLN 15 5.052 -1.853 -0.012
103 HB3 GLN 15 HB3 GLN 15 4.069 -1.213 1.301
104 HG2 GLN 15 HG2 GLN 15 5.618 -2.064 2.982
105 HG3 GLN 15 HG3 GLN 15 6.584 -2.886 1.751
106 HE21 GLN 15 HE21 GLN 15 5.944 0.263 3.243
107 HE22 GLN 15 HE22 GLN 15 7.178 1.098 2.320
108 H LEU 16 H LEU 16 3.575 -4.182 -1.371
109 HA LEU 16 HA LEU 16 1.013 -2.931 -1.927
110 HB2 LEU 16 HB2 LEU 16 2.353 -5.306 -3.312
111 HB3 LEU 16 HB3 LEU 16 1.026 -4.358 -3.920
112 HG LEU 16 HG LEU 16 3.898 -3.441 -3.536
113 HD11 LEU 16 HD11 LEU 16 3.405 -4.852 -5.521
114 HD12 LEU 16 HD12 LEU 16 3.863 -3.210 -5.974
115 HD13 LEU 16 HD13 LEU 16 2.148 -3.698 -6.017
116 HD21 LEU 16 HD21 LEU 16 3.170 -1.299 -4.609
117 HD22 LEU 16 HD22 LEU 16 2.544 -1.514 -2.974
118 HD23 LEU 16 HD23 LEU 16 1.478 -1.802 -4.372
119 H GLU 17 H GLU 17 1.980 -6.231 -0.992
120 HA GLU 17 HA GLU 17 -0.543 -7.431 -0.850
121 HB2 GLU 17 HB2 GLU 17 1.902 -7.888 0.903
122 HB3 GLU 17 HB3 GLU 17 0.467 -8.916 0.922
123 HG2 GLU 17 HG2 GLU 17 0.772 -9.359 -1.522
124 HG3 GLU 17 HG3 GLU 17 2.283 -8.454 -1.475
125 H ASN 18 H ASN 18 0.724 -5.015 1.416
126 HA ASN 18 HA ASN 18 -0.989 -5.530 3.640
127 HB2 ASN 18 HB2 ASN 18 0.992 -4.049 3.684
128 HB3 ASN 18 HB3 ASN 18 0.157 -2.931 2.598
129 HD21 ASN 18 HD21 ASN 18 -1.095 -1.315 3.508
130 HD22 ASN 18 HD22 ASN 18 -1.550 -1.284 5.202
131 H TYR 19 H TYR 19 -1.670 -4.050 0.518
132 HA TYR 19 HA TYR 19 -4.353 -3.074 1.382
133 HB2 TYR 19 HB2 TYR 19 -2.691 -2.637 -1.131
134 HB3 TYR 19 HB3 TYR 19 -4.317 -2.021 -0.901
135 HD1 TYR 19 HD2 TYR 19 -0.808 -1.775 0.324
136 HD2 TYR 19 HD1 TYR 19 -4.768 -0.078 0.463
137 HE1 TYR 19 HE2 TYR 19 0.101 0.240 1.476
138 HE2 TYR 19 HE1 TYR 19 -3.869 1.938 1.605
139 HH TYR 19 HH TYR 19 -1.997 2.991 2.432
140 H CYS 20 HN CYS 20 -3.151 -5.973 0.426
141 HA CYS 20 HA CYS 20 -5.417 -6.713 -1.369
142 HB2 CYS 20 HB2 CYS 20 -2.887 -8.221 -0.651
143 HB3 CYS 20 HB3 CYS 20 -4.125 -8.741 -1.789
144 H ASN 21 H ASN 21 -6.500 -8.762 -1.007
145 HA ASN 21 HA ASN 21 -7.408 -9.063 1.762
146 HB2 ASN 21 HB2 ASN 21 -8.084 -10.658 -0.732
147 HB3 ASN 21 HB3 ASN 21 -8.913 -10.779 0.811
148 HD21 ASN 21 HD21 ASN 21 -9.253 -9.476 -2.175
149 HD22 ASN 21 HD22 ASN 21 -10.236 -8.063 -1.759
150 H1 PHE 1 H1 PHE 1 7.923 -4.179 -9.369
151 H2 PHE 1 H2 PHE 1 8.676 -4.321 -10.820
152 H3 PHE 1 H3 PHE 1 9.062 -3.084 -9.815
153 HA PHE 1 HA PHE 1 9.545 -5.946 -9.266
154 HB2 PHE 1 HB2 PHE 1 10.983 -4.950 -11.079
155 HB3 PHE 1 HB3 PHE 1 11.550 -3.748 -9.931
156 HD1 PHE 1 HD2 PHE 1 11.259 -7.497 -10.334
157 HD2 PHE 1 HD1 PHE 1 13.587 -4.186 -8.803
158 HE1 PHE 1 HE2 PHE 1 13.052 -9.064 -9.626
159 HE2 PHE 1 HE1 PHE 1 15.379 -5.763 -8.137
160 HZ PHE 1 HZ PHE 1 15.118 -8.201 -8.545
161 H VAL 2 H VAL 2 11.232 -6.119 -7.351
162 HA VAL 2 HA VAL 2 10.088 -4.821 -5.039
163 HB VAL 2 HB VAL 2 12.037 -5.782 -3.776
164 HG11 VAL 2 HG11 VAL 2 11.277 -8.115 -3.963
165 HG12 VAL 2 HG12 VAL 2 9.910 -6.992 -3.965
166 HG13 VAL 2 HG13 VAL 2 10.452 -7.741 -5.492
167 HG21 VAL 2 HG21 VAL 2 13.501 -7.417 -4.794
168 HG22 VAL 2 HG22 VAL 2 12.780 -7.152 -6.389
169 HG23 VAL 2 HG23 VAL 2 13.725 -5.864 -5.611
170 H ASN 3 H ASN 3 10.895 -3.266 -3.684
171 HA ASN 3 HA ASN 3 11.792 -1.259 -3.129
172 HB2 ASN 3 HB2 ASN 3 13.536 -3.019 -2.660
173 HB3 ASN 3 HB3 ASN 3 14.396 -2.487 -4.101
174 HD21 ASN 3 HD22 ASN 3 15.376 -0.331 -4.072
175 HD22 ASN 3 HD21 ASN 3 15.660 0.473 -2.536
176 H GLN 4 H GLN 4 10.479 -0.442 -5.098
177 HA GLN 4 HA GLN 4 12.149 1.415 -6.696
178 HB2 GLN 4 HB2 GLN 4 10.266 -0.674 -7.890
179 HB3 GLN 4 HB3 GLN 4 10.744 0.761 -8.772
180 HG2 GLN 4 HG2 GLN 4 12.696 -1.366 -7.814
181 HG3 GLN 4 HG3 GLN 4 12.015 -1.241 -9.426
182 HE21 GLN 4 HE21 GLN 4 14.319 0.246 -7.164
183 HE22 GLN 4 HE22 GLN 4 15.086 1.258 -8.391
184 H HIS 5 H HIS 5 10.631 2.938 -8.005
185 HA HIS 5 HA HIS 5 8.315 3.773 -6.335
186 HB2 HIS 5 HB2 HIS 5 9.658 4.933 -8.814
187 HB3 HIS 5 HB3 HIS 5 8.113 5.501 -8.205
188 HD1 HIS 5 HD1 HIS 5 8.253 7.491 -6.586
189 HD2 HIS 5 HD2 HIS 5 11.788 5.219 -6.869
190 HE1 HIS 5 HE1 HIS 5 10.027 8.761 -5.289
191 H LEU 6 H LEU 6 6.206 3.571 -7.038
192 HA LEU 6 HA LEU 6 5.530 2.452 -9.708
193 HB2 LEU 6 HB2 LEU 6 4.731 1.301 -7.001
194 HB3 LEU 6 HB3 LEU 6 3.816 0.972 -8.463
195 HG LEU 6 HG LEU 6 6.753 0.243 -8.149
196 HD11 LEU 6 HD11 LEU 6 5.451 -0.925 -6.453
197 HD12 LEU 6 HD12 LEU 6 5.901 -2.061 -7.730
198 HD13 LEU 6 HD13 LEU 6 4.242 -1.410 -7.661
199 HD21 LEU 6 HD21 LEU 6 4.595 -0.659 -10.119
200 HD22 LEU 6 HD22 LEU 6 6.251 -1.301 -10.040
201 HD23 LEU 6 HD23 LEU 6 5.980 0.388 -10.510
202 H CYS 7 HN CYS 7 3.822 3.571 -10.566
203 HA CYS 7 HA CYS 7 2.101 5.173 -8.706
204 HB2 CYS 7 HB2 CYS 7 4.146 6.367 -9.810
205 HB3 CYS 7 HB3 CYS 7 3.206 6.282 -11.300
206 H GLY 8 H GLY 8 0.027 5.559 -9.322
207 HA2 GLY 8 HA2 GLY 8 -2.017 5.214 -10.353
208 HA3 GLY 8 HA3 GLY 8 -1.108 5.673 -11.788
209 H SER 9 H SER 9 -1.601 4.383 -13.420
210 HA SER 9 HA SER 9 -2.737 1.834 -13.379
211 HB2 SER 9 HB2 SER 9 -0.877 2.967 -15.498
212 HB3 SER 9 HB3 SER 9 -2.097 1.696 -15.708
213 HG SER 9 HG SER 9 -2.859 3.783 -16.382
214 H HIS 10 H HIS 10 0.790 2.639 -13.292
215 HA HIS 10 HA HIS 10 1.609 -0.130 -13.702
216 HB2 HIS 10 HB2 HIS 10 2.953 1.977 -14.210
217 HB3 HIS 10 HB3 HIS 10 3.244 2.117 -12.476
218 HD1 HIS 10 HD1 HIS 10 3.618 -1.308 -12.424
219 HD2 HIS 10 HD2 HIS 10 5.632 1.696 -14.567
220 HE1 HIS 10 HE1 HIS 10 5.865 -2.307 -13.112
221 H LEU 11 H LEU 11 0.906 1.859 -10.850
222 HA LEU 11 HA LEU 11 1.759 -0.130 -8.905
223 HB2 LEU 11 HB2 LEU 11 1.629 2.279 -8.438
224 HB3 LEU 11 HB3 LEU 11 -0.104 2.281 -8.729
225 HG LEU 11 HG LEU 11 -0.502 0.923 -6.738
226 HD11 LEU 11 HD11 LEU 11 2.522 0.983 -6.356
227 HD12 LEU 11 HD12 LEU 11 1.531 -0.459 -6.638
228 HD13 LEU 11 HD13 LEU 11 1.345 0.460 -5.139
229 HD21 LEU 11 HD21 LEU 11 1.391 3.288 -6.270
230 HD22 LEU 11 HD22 LEU 11 0.264 2.628 -5.074
231 HD23 LEU 11 HD23 LEU 11 -0.347 3.401 -6.546
232 H VAL 12 H VAL 12 -1.367 0.702 -10.386
233 HA VAL 12 HA VAL 12 -2.944 -1.304 -9.100
234 HB VAL 12 HB VAL 12 -3.251 0.126 -11.752
235 HG11 VAL 12 HG11 VAL 12 -5.255 -1.772 -10.442
236 HG12 VAL 12 HG12 VAL 12 -5.622 -0.662 -11.776
237 HG13 VAL 12 HG13 VAL 12 -4.485 -1.978 -12.030
238 HG21 VAL 12 HG21 VAL 12 -5.012 1.356 -10.558
239 HG22 VAL 12 HG22 VAL 12 -4.774 0.354 -9.115
240 HG23 VAL 12 HG23 VAL 12 -3.505 1.474 -9.647
241 H GLU 13 H GLU 13 -1.071 -1.444 -12.196
242 HA GLU 13 HA GLU 13 -1.613 -4.202 -12.738
243 HB2 GLU 13 HB2 GLU 13 0.654 -2.353 -13.548
244 HB3 GLU 13 HB3 GLU 13 0.598 -4.051 -14.027
245 HG2 GLU 13 HG2 GLU 13 -1.610 -3.727 -15.087
246 HG3 GLU 13 HG3 GLU 13 -1.578 -2.021 -14.660
247 H ALA 14 H ALA 14 1.069 -2.709 -10.780
248 HA ALA 14 HA ALA 14 2.359 -5.188 -10.191
249 HB1 ALA 14 HB1 ALA 14 2.205 -2.630 -8.536
250 HB2 ALA 14 HB2 ALA 14 3.410 -3.933 -8.381
251 HB3 ALA 14 HB3 ALA 14 3.359 -2.952 -9.853
252 H LEU 15 H LEU 15 -0.314 -3.491 -8.455
253 HA LEU 15 HA LEU 15 -0.651 -5.435 -6.368
254 HB2 LEU 15 HB2 LEU 15 -2.513 -3.457 -7.734
255 HB3 LEU 15 HB3 LEU 15 -3.047 -4.490 -6.417
256 HG LEU 15 HG LEU 15 -0.615 -2.718 -6.038
257 HD11 LEU 15 HD11 LEU 15 -2.446 -1.237 -6.832
258 HD12 LEU 15 HD12 LEU 15 -2.093 -0.969 -5.125
259 HD13 LEU 15 HD13 LEU 15 -3.530 -1.895 -5.592
260 HD21 LEU 15 HD21 LEU 15 -1.247 -2.881 -3.686
261 HD22 LEU 15 HD22 LEU 15 -1.195 -4.521 -4.356
262 HD23 LEU 15 HD23 LEU 15 -2.753 -3.721 -4.093
263 H TYR 16 H TYR 16 -2.163 -5.287 -9.631
264 HA TYR 16 HA TYR 16 -3.669 -7.701 -9.447
265 HB2 TYR 16 HB2 TYR 16 -2.504 -6.079 -11.705
266 HB3 TYR 16 HB3 TYR 16 -3.004 -7.719 -12.057
267 HD1 TYR 16 HD1 TYR 16 -5.410 -8.406 -11.089
268 HD2 TYR 16 HD2 TYR 16 -4.126 -4.435 -12.166
269 HE1 TYR 16 HE1 TYR 16 -7.781 -7.741 -11.457
270 HE2 TYR 16 HE2 TYR 16 -6.494 -3.762 -12.533
271 HH TYR 16 HH TYR 16 -9.222 -6.052 -12.074
272 H LEU 17 H LEU 17 -0.278 -7.253 -10.627
273 HA LEU 17 HA LEU 17 0.150 -10.041 -11.169
274 HB2 LEU 17 HB2 LEU 17 1.858 -7.564 -10.962
275 HB3 LEU 17 HB3 LEU 17 2.668 -9.106 -10.815
276 HG LEU 17 HG LEU 17 1.830 -9.885 -12.955
277 HD11 LEU 17 HD11 LEU 17 0.618 -7.131 -13.386
278 HD12 LEU 17 HD12 LEU 17 -0.312 -8.623 -13.131
279 HD13 LEU 17 HD13 LEU 17 0.704 -8.446 -14.563
280 HD21 LEU 17 HD21 LEU 17 3.191 -8.399 -14.370
281 HD22 LEU 17 HD22 LEU 17 3.982 -8.679 -12.810
282 HD23 LEU 17 HD23 LEU 17 3.148 -7.143 -13.113
283 H VAL 18 H VAL 18 0.920 -8.107 -8.246
284 HA VAL 18 HA VAL 18 2.278 -10.308 -6.965
285 HB VAL 18 HB VAL 18 1.197 -7.690 -5.871
286 HG11 VAL 18 HG11 VAL 18 1.237 -9.227 -3.957
287 HG12 VAL 18 HG12 VAL 18 2.870 -9.780 -4.399
288 HG13 VAL 18 HG13 VAL 18 2.596 -8.107 -3.855
289 HG21 VAL 18 HG21 VAL 18 3.174 -7.595 -7.431
290 HG22 VAL 18 HG22 VAL 18 3.591 -7.120 -5.781
291 HG23 VAL 18 HG23 VAL 18 4.031 -8.731 -6.378
292 H CYS 19 HN CYS 19 -1.077 -9.010 -6.545
293 HA CYS 19 HA CYS 19 -1.617 -11.127 -4.518
294 HB2 CYS 19 HB2 CYS 19 -3.148 -8.641 -5.350
295 HB3 CYS 19 HB3 CYS 19 -3.545 -9.713 -3.998
296 H GLY 20 H GLY 20 -2.597 -10.387 -7.841
297 HA2 GLY 20 HA2 GLY 20 -3.872 -11.596 -9.338
298 HA3 GLY 20 HA3 GLY 20 -3.325 -12.980 -8.391
299 H GLU 21 H GLU 21 -4.882 -14.264 -7.833
300 HA GLU 21 HA GLU 21 -7.653 -13.764 -8.118
301 HB2 GLU 21 HB2 GLU 21 -6.443 -15.944 -8.322
302 HB3 GLU 21 HB3 GLU 21 -6.277 -15.990 -6.561
303 HG2 GLU 21 HG2 GLU 21 -8.720 -16.099 -6.311
304 HG3 GLU 21 HG3 GLU 21 -8.939 -15.884 -8.049
305 H ARG 22 H ARG 22 -5.585 -13.188 -5.319
306 HA ARG 22 HA ARG 22 -7.574 -13.239 -3.247
307 HB2 ARG 22 HB2 ARG 22 -5.082 -11.501 -3.496
308 HB3 ARG 22 HB3 ARG 22 -5.992 -11.762 -2.026
309 HG2 ARG 22 HG2 ARG 22 -4.496 -13.936 -3.564
310 HG3 ARG 22 HG3 ARG 22 -3.877 -13.082 -2.161
311 HD2 ARG 22 HD2 ARG 22 -6.382 -14.826 -2.146
312 HD3 ARG 22 HD3 ARG 22 -4.764 -15.343 -1.651
313 HE ARG 22 HE ARG 22 -5.449 -12.966 -0.207
314 HH11 ARG 22 HH11 ARG 22 -6.292 -16.424 -0.237
315 HH12 ARG 22 HH12 ARG 22 -6.715 -16.407 1.448
316 HH21 ARG 22 HH21 ARG 22 -6.075 -13.011 1.900
317 HH22 ARG 22 HH22 ARG 22 -6.581 -14.504 2.656
318 H GLY 23 H GLY 23 -6.674 -10.746 -5.612
319 HA2 GLY 23 HA2 GLY 23 -7.658 -8.719 -6.164
320 HA3 GLY 23 HA3 GLY 23 -8.994 -9.064 -5.053
321 H PHE 24 H PHE 24 -7.948 -6.545 -5.341
322 HA PHE 24 HA PHE 24 -6.795 -5.959 -2.680
323 HB2 PHE 24 HB2 PHE 24 -5.050 -4.601 -3.755
324 HB3 PHE 24 HB3 PHE 24 -4.977 -6.277 -4.276
325 HD1 PHE 24 HD2 PHE 24 -5.797 -2.834 -5.382
326 HD2 PHE 24 HD1 PHE 24 -5.404 -6.966 -6.542
327 HE1 PHE 24 HE2 PHE 24 -5.859 -2.172 -7.779
328 HE2 PHE 24 HE1 PHE 24 -5.499 -6.301 -8.924
329 HZ PHE 24 HZ PHE 24 -5.708 -3.905 -9.547
330 H PHE 25 H PHE 25 -6.908 -3.858 -1.960
331 HA PHE 25 HA PHE 25 -9.091 -2.186 -3.118
332 HB2 PHE 25 HB2 PHE 25 -9.504 -3.060 -0.873
333 HB3 PHE 25 HB3 PHE 25 -7.975 -2.412 -0.300
334 HD1 PHE 25 HD2 PHE 25 -11.049 -1.168 -2.126
335 HD2 PHE 25 HD1 PHE 25 -8.124 -0.447 0.968
336 HE1 PHE 25 HE2 PHE 25 -12.206 0.944 -1.517
337 HE2 PHE 25 HE1 PHE 25 -9.289 1.651 1.580
338 HZ PHE 25 HZ PHE 25 -11.321 2.365 0.327
339 H TYR 26 H TYR 26 -7.690 -1.262 -4.717
340 HA TYR 26 HA TYR 26 -5.339 0.285 -3.989
341 HB2 TYR 26 HB2 TYR 26 -5.491 -0.481 -6.242
342 HB3 TYR 26 HB3 TYR 26 -7.105 0.185 -6.449
343 HD1 TYR 26 HD2 TYR 26 -3.499 1.093 -6.064
344 HD2 TYR 26 HD1 TYR 26 -7.456 2.475 -7.087
345 HE1 TYR 26 HE2 TYR 26 -2.546 3.238 -6.871
346 HE2 TYR 26 HE1 TYR 26 -6.497 4.621 -7.896
347 HH TYR 26 HH TYR 26 -2.972 5.297 -7.784
348 H THR 27 H THR 27 -5.152 2.408 -3.482
349 HA THR 27 HA THR 27 -7.581 4.123 -3.345
350 HB THR 27 HB THR 27 -6.599 5.035 -1.189
351 HG1 THR 27 HG1 THR 27 -5.496 3.024 -0.178
352 HG21 THR 27 HG21 THR 27 -7.673 3.336 0.164
353 HG22 THR 27 HG22 THR 27 -7.561 2.141 -1.144
354 HG23 THR 27 HG23 THR 27 -8.611 3.563 -1.310
355 HA PRO 28 HA PRO 28 -4.556 6.838 -5.372
356 HB2 PRO 28 HB2 PRO 28 -6.258 8.712 -6.345
357 HB3 PRO 28 HB3 PRO 28 -6.167 7.067 -7.030
358 HG2 PRO 28 HG2 PRO 28 -8.158 8.123 -4.990
359 HG3 PRO 28 HG3 PRO 28 -8.494 7.217 -6.502
360 HD2 PRO 28 HD2 PRO 28 -8.324 6.018 -4.043
361 HD3 PRO 28 HD3 PRO 28 -7.830 5.185 -5.547
362 H LYS 29 H LYS 29 -4.267 9.384 -5.171
363 HA LYS 29 HA LYS 29 -4.075 10.249 -2.452
364 HB2 LYS 29 HB2 LYS 29 -2.708 11.037 -4.366
365 HB3 LYS 29 HB3 LYS 29 -4.128 11.813 -5.073
366 HG2 LYS 29 HG2 LYS 29 -4.242 13.405 -3.227
367 HG3 LYS 29 HG3 LYS 29 -3.007 12.512 -2.327
368 HD2 LYS 29 HD2 LYS 29 -2.000 14.496 -3.306
369 HD3 LYS 29 HD3 LYS 29 -1.323 13.046 -4.023
370 HE2 LYS 29 HE2 LYS 29 -1.641 14.623 -5.788
371 HE3 LYS 29 HE3 LYS 29 -2.830 13.343 -6.014
372 HZ1 LYS 29 HZ1 LYS 29 -3.372 15.997 -4.774
373 HZ2 LYS 29 HZ2 LYS 29 -4.498 14.832 -5.015
374 HZ3 LYS 29 HZ3 LYS 29 -3.792 15.564 -6.292
375 H THR 30 H THR 30 -6.696 10.504 -4.758
376 HA THR 30 HA THR 30 -8.406 12.305 -3.278
377 HB THR 30 HB THR 30 -9.397 10.285 -5.306
378 HG1 THR 30 HG1 THR 30 -8.660 11.731 -6.924
379 HG21 THR 30 HG21 THR 30 -9.985 13.246 -4.823
380 HG22 THR 30 HG22 THR 30 -11.048 11.889 -4.389
381 HG23 THR 30 HG23 THR 30 -10.728 12.242 -6.086
382 H LYS 31 H LYS 31 -7.569 9.070 -2.744
383 HA LYS 31 HA LYS 31 -8.086 7.530 -1.234
384 HB2 LYS 31 HB2 LYS 31 -8.548 9.518 0.250
385 HB3 LYS 31 HB3 LYS 31 -10.269 9.355 -0.155
386 HG2 LYS 31 HG2 LYS 31 -10.298 7.077 0.815
387 HG3 LYS 31 HG3 LYS 31 -8.567 7.184 1.143
388 HD2 LYS 31 HD2 LYS 31 -9.783 7.593 3.185
389 HD3 LYS 31 HD3 LYS 31 -8.981 9.090 2.690
390 HE2 LYS 31 HE2 LYS 31 -11.134 9.914 1.735
391 HE3 LYS 31 HE3 LYS 31 -11.917 8.401 2.200
392 HZ1 LYS 31 HZ1 LYS 31 -12.315 10.156 3.824
393 HZ2 LYS 31 HZ2 LYS 31 -10.715 10.347 4.089
394 HZ3 LYS 31 HZ3 LYS 31 -11.459 8.955 4.523
395 H ARG 32 H ARG 32 -11.012 8.869 -2.740
396 HA ARG 32 HA ARG 32 -11.884 6.229 -3.677
397 HB2 ARG 32 HB2 ARG 32 -12.774 6.197 -1.397
398 HB3 ARG 32 HB3 ARG 32 -13.483 7.798 -1.604
399 HG2 ARG 32 HG2 ARG 32 -15.192 6.059 -1.715
400 HG3 ARG 32 HG3 ARG 32 -15.086 6.936 -3.233
401 HD2 ARG 32 HD2 ARG 32 -13.621 5.007 -4.117
402 HD3 ARG 32 HD3 ARG 32 -14.013 4.151 -2.630
403 HE ARG 32 HE ARG 32 -16.152 3.741 -3.427
404 HH11 ARG 32 HH21 ARG 32 -14.730 6.193 -5.569
405 HH12 ARG 32 HH22 ARG 32 -16.016 5.981 -6.729
406 HH21 ARG 32 HH11 ARG 32 -17.738 3.606 -4.960
407 HH22 ARG 32 HH12 ARG 32 -17.663 4.597 -6.391
Start of MODEL 27
1 H1 GLY 1 1H GLY 1 -5.092 7.195 1.427
2 H2 GLY 1 2H GLY 1 -4.053 6.080 2.045
3 H3 GLY 1 3H GLY 1 -5.014 5.696 0.767
4 HA2 GLY 1 HA2 GLY 1 -3.895 7.229 -0.666
5 HA3 GLY 1 HA3 GLY 1 -2.875 7.726 0.703
6 H ILE 2 H ILE 2 -2.165 6.520 -1.896
7 HA ILE 2 HA ILE 2 -0.112 4.726 -1.046
8 HB ILE 2 HB ILE 2 -1.862 3.063 -0.847
9 HG12 ILE 2 HG12 ILE 2 -1.015 1.275 -2.253
10 HG13 ILE 2 HG13 ILE 2 -0.170 2.431 -3.288
11 HG21 ILE 2 HG21 ILE 2 -3.224 2.263 -2.637
12 HG22 ILE 2 HG22 ILE 2 -3.491 3.994 -2.489
13 HG23 ILE 2 HG23 ILE 2 -2.478 3.359 -3.809
14 HD11 ILE 2 HD11 ILE 2 1.364 3.010 -1.493
15 HD12 ILE 2 HD12 ILE 2 0.396 2.121 -0.308
16 HD13 ILE 2 HD13 ILE 2 1.270 1.246 -1.583
17 H VAL 3 H VAL 3 -2.006 5.668 -3.977
18 HA VAL 3 HA VAL 3 0.269 5.273 -5.709
19 HB VAL 3 HB VAL 3 -2.096 5.276 -6.484
20 HG11 VAL 3 HG11 VAL 3 -2.906 7.347 -5.364
21 HG12 VAL 3 HG12 VAL 3 -1.906 8.312 -6.471
22 HG13 VAL 3 HG13 VAL 3 -3.232 7.324 -7.102
23 HG21 VAL 3 HG21 VAL 3 -1.601 6.200 -8.685
24 HG22 VAL 3 HG22 VAL 3 -0.257 7.154 -8.022
25 HG23 VAL 3 HG23 VAL 3 -0.172 5.377 -8.045
26 H GLU 4 H GLU 4 -0.929 8.052 -3.885
27 HA GLU 4 HA GLU 4 1.040 9.948 -4.849
28 HB2 GLU 4 HB2 GLU 4 0.353 11.262 -2.840
29 HB3 GLU 4 HB3 GLU 4 -0.953 10.836 -3.936
30 HG2 GLU 4 HG2 GLU 4 -0.436 9.087 -1.516
31 HG3 GLU 4 HG3 GLU 4 -1.255 10.638 -1.324
32 H GLN 5 H GLN 5 1.440 7.203 -2.849
33 HA GLN 5 HA GLN 5 3.932 8.288 -1.608
34 HB2 GLN 5 HB2 GLN 5 2.503 6.935 -0.129
35 HB3 GLN 5 HB3 GLN 5 2.533 5.593 -1.275
36 HG2 GLN 5 HG2 GLN 5 4.986 5.361 -0.983
37 HG3 GLN 5 HG3 GLN 5 4.975 6.732 0.139
38 HE21 GLN 5 HE21 GLN 5 3.733 3.376 -0.326
39 HE22 GLN 5 HE22 GLN 5 3.537 3.070 1.395
40 H CYS 6 HN CYS 6 2.886 5.412 -3.571
41 HA CYS 6 HA CYS 6 5.546 4.669 -4.190
42 HB2 CYS 6 HB2 CYS 6 2.996 3.960 -5.690
43 HB3 CYS 6 HB3 CYS 6 4.530 3.089 -5.718
44 H CYS 7 HN CYS 7 3.549 6.993 -5.849
45 HA CYS 7 HA CYS 7 5.224 7.055 -8.275
46 HB2 CYS 7 HB2 CYS 7 2.701 7.410 -8.070
47 HB3 CYS 7 HB3 CYS 7 3.063 8.994 -7.395
48 H THR 8 H THR 8 5.280 8.558 -5.170
49 HA THR 8 HA THR 8 6.908 10.912 -6.051
50 HB THR 8 HB THR 8 5.602 10.292 -3.369
51 HG1 THR 8 HG1 THR 8 3.870 11.146 -4.140
52 HG21 THR 8 HG21 THR 8 6.742 12.879 -4.537
53 HG22 THR 8 HG22 THR 8 7.394 11.970 -3.161
54 HG23 THR 8 HG23 THR 8 5.819 12.759 -3.024
55 H SER 9 H SER 9 6.889 8.236 -3.720
56 HA SER 9 HA SER 9 9.864 8.360 -3.394
57 HB2 SER 9 HB2 SER 9 7.717 7.630 -1.354
58 HB3 SER 9 HB3 SER 9 9.461 7.448 -1.103
59 HG SER 9 HG SER 9 8.674 9.401 -0.192
60 H ILE 10 H ILE 10 10.509 6.021 -2.397
61 HA ILE 10 HA ILE 10 9.552 4.088 -4.420
62 HB ILE 10 HB ILE 10 11.999 4.542 -3.908
63 HG12 ILE 10 HG12 ILE 10 11.037 1.665 -3.858
64 HG13 ILE 10 HG13 ILE 10 11.087 2.716 -5.281
65 HG21 ILE 10 HG21 ILE 10 13.089 3.405 -2.080
66 HG22 ILE 10 HG22 ILE 10 11.810 4.408 -1.391
67 HG23 ILE 10 HG23 ILE 10 11.569 2.652 -1.554
68 HD11 ILE 10 HD11 ILE 10 13.023 1.274 -5.312
69 HD12 ILE 10 HD12 ILE 10 13.534 2.953 -5.064
70 HD13 ILE 10 HD13 ILE 10 13.526 1.810 -3.701
71 H CYS 11 HN CYS 11 8.423 2.262 -4.057
72 HA CYS 11 HA CYS 11 7.252 1.841 -1.328
73 HB2 CYS 11 HB2 CYS 11 6.175 1.661 -4.128
74 HB3 CYS 11 HB3 CYS 11 5.558 0.520 -2.940
75 H SER 12 H SER 12 6.526 -0.439 -1.031
76 HA SER 12 HA SER 12 8.593 -2.432 -1.970
77 HB2 SER 12 HB2 SER 12 8.884 -1.789 0.397
78 HB3 SER 12 HB3 SER 12 7.215 -2.270 0.733
79 HG SER 12 HG SER 12 8.909 -3.891 1.172
80 H LEU 13 H LEU 13 7.895 -4.557 -2.396
81 HA LEU 13 HA LEU 13 5.159 -5.023 -3.213
82 HB2 LEU 13 HB2 LEU 13 7.351 -7.027 -2.508
83 HB3 LEU 13 HB3 LEU 13 5.863 -7.386 -3.383
84 HG LEU 13 HG LEU 13 8.136 -5.624 -4.366
85 HD11 LEU 13 HD11 LEU 13 8.486 -7.399 -6.017
86 HD12 LEU 13 HD12 LEU 13 7.174 -8.351 -5.295
87 HD13 LEU 13 HD13 LEU 13 8.650 -8.024 -4.361
88 HD21 LEU 13 HD21 LEU 13 6.038 -4.744 -5.278
89 HD22 LEU 13 HD22 LEU 13 5.551 -6.379 -5.781
90 HD23 LEU 13 HD23 LEU 13 6.938 -5.579 -6.541
91 H TYR 14 H TYR 14 6.823 -5.405 -0.111
92 HA TYR 14 HA TYR 14 4.809 -6.969 1.221
93 HB2 TYR 14 HB2 TYR 14 7.122 -6.625 2.033
94 HB3 TYR 14 HB3 TYR 14 6.786 -4.917 2.300
95 HD1 TYR 14 HD2 TYR 14 5.615 -8.351 3.285
96 HD2 TYR 14 HD1 TYR 14 5.960 -4.202 4.410
97 HE1 TYR 14 HE2 TYR 14 4.758 -8.902 5.551
98 HE2 TYR 14 HE1 TYR 14 5.093 -4.743 6.682
99 HH TYR 14 HH TYR 14 4.192 -8.093 7.631
100 H GLN 15 H GLN 15 4.913 -3.546 0.373
101 HA GLN 15 HA GLN 15 2.658 -2.802 2.138
102 HB2 GLN 15 HB2 GLN 15 4.021 -1.323 -0.152
103 HB3 GLN 15 HB3 GLN 15 2.730 -0.677 0.852
104 HG2 GLN 15 HG2 GLN 15 4.092 -0.773 2.847
105 HG3 GLN 15 HG3 GLN 15 5.388 -1.620 2.014
106 HE21 GLN 15 HE21 GLN 15 4.962 1.310 3.299
107 HE22 GLN 15 HE22 GLN 15 5.784 2.271 2.076
108 H LEU 16 H LEU 16 3.200 -3.702 -1.306
109 HA LEU 16 HA LEU 16 0.471 -3.335 -2.135
110 HB2 LEU 16 HB2 LEU 16 2.584 -5.256 -3.210
111 HB3 LEU 16 HB3 LEU 16 1.100 -4.793 -4.008
112 HG LEU 16 HG LEU 16 3.555 -3.088 -3.462
113 HD11 LEU 16 HD11 LEU 16 3.600 -2.890 -5.898
114 HD12 LEU 16 HD12 LEU 16 2.093 -3.824 -6.030
115 HD13 LEU 16 HD13 LEU 16 3.580 -4.595 -5.427
116 HD21 LEU 16 HD21 LEU 16 0.903 -2.085 -4.568
117 HD22 LEU 16 HD22 LEU 16 2.440 -1.182 -4.549
118 HD23 LEU 16 HD23 LEU 16 1.650 -1.596 -3.031
119 H GLU 17 H GLU 17 2.155 -6.198 -0.839
120 HA GLU 17 HA GLU 17 0.027 -8.038 -0.795
121 HB2 GLU 17 HB2 GLU 17 2.327 -7.596 1.144
122 HB3 GLU 17 HB3 GLU 17 1.147 -8.892 1.350
123 HG2 GLU 17 HG2 GLU 17 1.687 -9.741 -0.934
124 HG3 GLU 17 HG3 GLU 17 2.978 -8.542 -1.047
125 H ASN 18 H ASN 18 0.511 -5.264 1.420
126 HA ASN 18 HA ASN 18 -1.464 -6.111 3.341
127 HB2 ASN 18 HB2 ASN 18 0.430 -4.510 3.749
128 HB3 ASN 18 HB3 ASN 18 -0.435 -3.316 2.778
129 HD21 ASN 18 HD21 ASN 18 -0.864 -5.440 5.680
130 HD22 ASN 18 HD22 ASN 18 -1.909 -4.301 6.511
131 H TYR 19 H TYR 19 -1.756 -4.600 0.208
132 HA TYR 19 HA TYR 19 -4.593 -3.805 0.671
133 HB2 TYR 19 HB2 TYR 19 -2.684 -3.280 -1.632
134 HB3 TYR 19 HB3 TYR 19 -4.361 -2.764 -1.587
135 HD1 TYR 19 HD2 TYR 19 -5.123 -1.339 0.495
136 HD2 TYR 19 HD1 TYR 19 -1.034 -1.820 -0.780
137 HE1 TYR 19 HE2 TYR 19 -4.504 0.739 1.708
138 HE2 TYR 19 HE1 TYR 19 -0.392 0.195 0.522
139 HH TYR 19 HH TYR 19 -2.808 2.168 2.305
140 H CYS 20 HN CYS 20 -3.057 -6.649 -0.211
141 HA CYS 20 HA CYS 20 -4.860 -7.494 -2.334
142 HB2 CYS 20 HB2 CYS 20 -3.121 -9.090 -0.428
143 HB3 CYS 20 HB3 CYS 20 -3.978 -9.742 -1.822
144 H ASN 21 H ASN 21 -6.536 -8.945 -2.248
145 HA ASN 21 HA ASN 21 -8.382 -8.737 -0.024
146 HB2 ASN 21 HB2 ASN 21 -9.014 -8.821 -2.463
147 HB3 ASN 21 HB3 ASN 21 -8.466 -10.496 -2.513
148 HD21 ASN 21 HD21 ASN 21 -10.792 -8.329 -0.866
149 HD22 ASN 21 HD22 ASN 21 -11.988 -9.589 -0.598
150 H1 PHE 1 H1 PHE 1 14.463 -5.499 -8.674
151 H2 PHE 1 H2 PHE 1 15.268 -5.415 -7.247
152 H3 PHE 1 H3 PHE 1 14.121 -4.303 -7.609
153 HA PHE 1 HA PHE 1 12.397 -5.939 -7.565
154 HB2 PHE 1 HB2 PHE 1 13.868 -7.810 -8.302
155 HB3 PHE 1 HB3 PHE 1 14.576 -7.876 -6.693
156 HD1 PHE 1 HD2 PHE 1 11.201 -7.934 -8.396
157 HD2 PHE 1 HD1 PHE 1 13.643 -9.440 -5.165
158 HE1 PHE 1 HE2 PHE 1 9.343 -9.415 -7.674
159 HE2 PHE 1 HE1 PHE 1 11.776 -10.917 -4.453
160 HZ PHE 1 HZ PHE 1 9.621 -10.901 -5.699
161 H VAL 2 H VAL 2 11.376 -6.716 -5.530
162 HA VAL 2 HA VAL 2 10.718 -6.546 -3.407
163 HB VAL 2 HB VAL 2 13.425 -5.449 -2.531
164 HG11 VAL 2 HG11 VAL 2 11.129 -6.725 -0.979
165 HG12 VAL 2 HG12 VAL 2 12.702 -6.260 -0.306
166 HG13 VAL 2 HG13 VAL 2 11.613 -5.013 -0.924
167 HG21 VAL 2 HG21 VAL 2 13.783 -7.666 -3.513
168 HG22 VAL 2 HG22 VAL 2 13.869 -7.781 -1.758
169 HG23 VAL 2 HG23 VAL 2 12.405 -8.329 -2.606
170 H ASN 3 H ASN 3 12.786 -3.679 -4.125
171 HA ASN 3 HA ASN 3 10.486 -1.940 -3.369
172 HB2 ASN 3 HB2 ASN 3 13.489 -1.479 -3.184
173 HB3 ASN 3 HB3 ASN 3 12.309 -0.173 -3.075
174 HD21 ASN 3 HD21 ASN 3 10.514 -0.445 -1.426
175 HD22 ASN 3 HD22 ASN 3 11.010 -1.141 0.116
176 H GLN 4 H GLN 4 9.708 -0.450 -4.768
177 HA GLN 4 HA GLN 4 11.035 0.136 -7.350
178 HB2 GLN 4 HB2 GLN 4 8.279 -1.192 -7.227
179 HB3 GLN 4 HB3 GLN 4 9.022 -0.502 -8.644
180 HG2 GLN 4 HG2 GLN 4 9.266 -2.771 -8.953
181 HG3 GLN 4 HG3 GLN 4 10.872 -2.213 -8.495
182 HE21 GLN 4 HE21 GLN 4 8.182 -2.856 -6.139
183 HE22 GLN 4 HE22 GLN 4 9.032 -4.202 -5.396
184 H HIS 5 H HIS 5 10.008 1.880 -8.519
185 HA HIS 5 HA HIS 5 8.082 3.566 -6.961
186 HB2 HIS 5 HB2 HIS 5 9.753 4.134 -9.446
187 HB3 HIS 5 HB3 HIS 5 8.543 5.216 -8.781
188 HD1 HIS 5 HD1 HIS 5 9.129 6.249 -6.253
189 HD2 HIS 5 HD2 HIS 5 12.181 4.282 -8.373
190 HE1 HIS 5 HE1 HIS 5 11.331 7.065 -5.266
191 H LEU 6 H LEU 6 5.977 3.719 -7.692
192 HA LEU 6 HA LEU 6 5.153 2.355 -10.200
193 HB2 LEU 6 HB2 LEU 6 4.202 1.661 -7.387
194 HB3 LEU 6 HB3 LEU 6 3.425 1.097 -8.856
195 HG LEU 6 HG LEU 6 6.304 0.405 -8.107
196 HD11 LEU 6 HD11 LEU 6 4.764 -0.464 -6.428
197 HD12 LEU 6 HD12 LEU 6 5.366 -1.787 -7.448
198 HD13 LEU 6 HD13 LEU 6 3.723 -1.145 -7.690
199 HD21 LEU 6 HD21 LEU 6 6.023 -1.389 -9.791
200 HD22 LEU 6 HD22 LEU 6 5.818 0.200 -10.540
201 HD23 LEU 6 HD23 LEU 6 4.391 -0.793 -10.163
202 H CYS 7 HN CYS 7 3.448 3.342 -11.164
203 HA CYS 7 HA CYS 7 1.705 5.185 -9.619
204 HB2 CYS 7 HB2 CYS 7 3.888 6.260 -10.484
205 HB3 CYS 7 HB3 CYS 7 3.181 6.145 -12.087
206 H GLY 8 H GLY 8 -0.349 5.220 -10.350
207 HA2 GLY 8 HA2 GLY 8 -2.245 4.765 -11.594
208 HA3 GLY 8 HA3 GLY 8 -1.239 5.113 -13.005
209 H SER 9 H SER 9 -1.498 3.581 -14.467
210 HA SER 9 HA SER 9 -2.431 0.974 -14.212
211 HB2 SER 9 HB2 SER 9 -0.401 1.974 -16.235
212 HB3 SER 9 HB3 SER 9 -1.506 0.597 -16.419
213 HG SER 9 HG SER 9 -2.312 2.498 -17.456
214 H HIS 10 H HIS 10 1.002 2.045 -13.863
215 HA HIS 10 HA HIS 10 2.129 -0.588 -13.879
216 HB2 HIS 10 HB2 HIS 10 3.180 1.900 -12.474
217 HB3 HIS 10 HB3 HIS 10 4.107 0.513 -13.041
218 HD1 HIS 10 HD1 HIS 10 2.712 3.816 -14.238
219 HD2 HIS 10 HD2 HIS 10 4.393 0.288 -15.808
220 HE1 HIS 10 HE1 HIS 10 3.382 4.345 -16.643
221 H LEU 11 H LEU 11 0.902 1.476 -11.237
222 HA LEU 11 HA LEU 11 1.610 -0.325 -9.076
223 HB2 LEU 11 HB2 LEU 11 1.254 2.115 -8.784
224 HB3 LEU 11 HB3 LEU 11 -0.428 1.942 -9.283
225 HG LEU 11 HG LEU 11 -0.927 0.604 -7.281
226 HD11 LEU 11 HD11 LEU 11 0.738 0.464 -5.430
227 HD12 LEU 11 HD12 LEU 11 1.993 1.090 -6.513
228 HD13 LEU 11 HD13 LEU 11 1.227 -0.489 -6.838
229 HD21 LEU 11 HD21 LEU 11 -0.739 2.444 -5.662
230 HD22 LEU 11 HD22 LEU 11 -1.112 3.091 -7.266
231 HD23 LEU 11 HD23 LEU 11 0.544 3.197 -6.635
232 H VAL 12 H VAL 12 -1.325 0.167 -11.018
233 HA VAL 12 HA VAL 12 -2.957 -1.819 -9.738
234 HB VAL 12 HB VAL 12 -3.002 -0.610 -12.516
235 HG11 VAL 12 HG11 VAL 12 -4.988 -2.617 -11.379
236 HG12 VAL 12 HG12 VAL 12 -5.308 -1.574 -12.780
237 HG13 VAL 12 HG13 VAL 12 -4.021 -2.782 -12.865
238 HG21 VAL 12 HG21 VAL 12 -3.613 0.845 -10.584
239 HG22 VAL 12 HG22 VAL 12 -4.994 0.553 -11.651
240 HG23 VAL 12 HG23 VAL 12 -4.857 -0.327 -10.113
241 H GLU 13 H GLU 13 -0.740 -2.105 -12.579
242 HA GLU 13 HA GLU 13 -1.083 -4.898 -13.007
243 HB2 GLU 13 HB2 GLU 13 1.235 -3.014 -13.533
244 HB3 GLU 13 HB3 GLU 13 1.309 -4.735 -13.928
245 HG2 GLU 13 HG2 GLU 13 -0.627 -4.541 -15.407
246 HG3 GLU 13 HG3 GLU 13 -0.815 -2.837 -15.015
247 H ALA 14 H ALA 14 1.313 -3.189 -10.930
248 HA ALA 14 HA ALA 14 2.643 -5.541 -10.012
249 HB1 ALA 14 HB1 ALA 14 3.579 -3.261 -9.885
250 HB2 ALA 14 HB2 ALA 14 2.346 -2.810 -8.682
251 HB3 ALA 14 HB3 ALA 14 3.567 -4.043 -8.293
252 H LEU 15 H LEU 15 -0.144 -3.736 -8.626
253 HA LEU 15 HA LEU 15 -0.525 -5.384 -6.320
254 HB2 LEU 15 HB2 LEU 15 -2.390 -3.695 -8.027
255 HB3 LEU 15 HB3 LEU 15 -2.984 -4.620 -6.653
256 HG LEU 15 HG LEU 15 -0.698 -2.649 -6.309
257 HD11 LEU 15 HD11 LEU 15 -3.679 -2.095 -6.022
258 HD12 LEU 15 HD12 LEU 15 -2.627 -1.430 -7.285
259 HD13 LEU 15 HD13 LEU 15 -2.345 -0.998 -5.592
260 HD21 LEU 15 HD21 LEU 15 -1.454 -2.654 -3.970
261 HD22 LEU 15 HD22 LEU 15 -1.101 -4.313 -4.481
262 HD23 LEU 15 HD23 LEU 15 -2.785 -3.766 -4.368
263 H TYR 16 H TYR 16 -1.992 -5.803 -9.642
264 HA TYR 16 HA TYR 16 -3.310 -8.201 -8.694
265 HB2 TYR 16 HB2 TYR 16 -4.269 -8.490 -10.692
266 HB3 TYR 16 HB3 TYR 16 -4.028 -6.761 -10.662
267 HD1 TYR 16 HD2 TYR 16 -2.391 -9.932 -11.940
268 HD2 TYR 16 HD1 TYR 16 -3.305 -5.781 -12.653
269 HE1 TYR 16 HE2 TYR 16 -1.406 -10.118 -14.205
270 HE2 TYR 16 HE1 TYR 16 -2.383 -5.979 -14.951
271 HH TYR 16 HH TYR 16 -0.956 -9.034 -16.193
272 H LEU 17 H LEU 17 -0.130 -7.708 -10.175
273 HA LEU 17 HA LEU 17 0.489 -10.515 -10.456
274 HB2 LEU 17 HB2 LEU 17 2.184 -8.003 -10.230
275 HB3 LEU 17 HB3 LEU 17 2.882 -9.598 -10.491
276 HG LEU 17 HG LEU 17 0.836 -8.357 -12.385
277 HD11 LEU 17 HD11 LEU 17 2.881 -6.973 -12.288
278 HD12 LEU 17 HD12 LEU 17 2.758 -7.821 -13.839
279 HD13 LEU 17 HD13 LEU 17 3.876 -8.415 -12.594
280 HD21 LEU 17 HD21 LEU 17 1.696 -10.051 -13.979
281 HD22 LEU 17 HD22 LEU 17 0.950 -10.805 -12.572
282 HD23 LEU 17 HD23 LEU 17 2.720 -10.737 -12.699
283 H VAL 18 H VAL 18 1.035 -8.230 -7.737
284 HA VAL 18 HA VAL 18 2.339 -10.195 -6.069
285 HB VAL 18 HB VAL 18 1.005 -7.540 -5.470
286 HG11 VAL 18 HG11 VAL 18 2.415 -9.357 -3.471
287 HG12 VAL 18 HG12 VAL 18 2.022 -7.649 -3.198
288 HG13 VAL 18 HG13 VAL 18 0.722 -8.820 -3.403
289 HG21 VAL 18 HG21 VAL 18 3.911 -8.487 -5.338
290 HG22 VAL 18 HG22 VAL 18 3.219 -7.532 -6.653
291 HG23 VAL 18 HG23 VAL 18 3.328 -6.849 -5.020
292 H CYS 19 HN CYS 19 -1.114 -9.142 -6.265
293 HA CYS 19 HA CYS 19 -1.890 -10.861 -4.049
294 HB2 CYS 19 HB2 CYS 19 -3.614 -9.412 -6.092
295 HB3 CYS 19 HB3 CYS 19 -4.126 -10.061 -4.532
296 H GLY 20 H GLY 20 -1.798 -11.305 -7.527
297 HA2 GLY 20 HA2 GLY 20 -2.225 -13.177 -8.845
298 HA3 GLY 20 HA3 GLY 20 -2.557 -14.118 -7.377
299 H GLU 21 H GLU 21 -4.375 -15.069 -8.232
300 HA GLU 21 HA GLU 21 -6.531 -13.776 -9.526
301 HB2 GLU 21 HB2 GLU 21 -7.737 -15.855 -9.243
302 HB3 GLU 21 HB3 GLU 21 -6.063 -16.166 -9.697
303 HG2 GLU 21 HG2 GLU 21 -5.526 -16.695 -7.312
304 HG3 GLU 21 HG3 GLU 21 -7.216 -16.416 -6.880
305 H ARG 22 H ARG 22 -5.789 -13.695 -6.173
306 HA ARG 22 HA ARG 22 -8.394 -13.429 -5.010
307 HB2 ARG 22 HB2 ARG 22 -5.714 -12.257 -4.146
308 HB3 ARG 22 HB3 ARG 22 -7.170 -12.352 -3.143
309 HG2 ARG 22 HG2 ARG 22 -7.139 -14.828 -3.312
310 HG3 ARG 22 HG3 ARG 22 -5.635 -14.750 -4.245
311 HD2 ARG 22 HD2 ARG 22 -6.008 -13.662 -1.431
312 HD3 ARG 22 HD3 ARG 22 -5.280 -15.216 -1.824
313 HE ARG 22 HE ARG 22 -3.621 -13.811 -3.228
314 HH11 ARG 22 HH11 ARG 22 -5.078 -12.246 -0.403
315 HH12 ARG 22 HH12 ARG 22 -3.539 -11.676 0.176
316 HH21 ARG 22 HH21 ARG 22 -1.704 -12.944 -2.493
317 HH22 ARG 22 HH22 ARG 22 -1.690 -11.920 -1.092
318 H GLY 23 H GLY 23 -6.253 -11.081 -6.613
319 HA2 GLY 23 HA2 GLY 23 -6.662 -8.905 -7.349
320 HA3 GLY 23 HA3 GLY 23 -8.317 -9.006 -6.730
321 H PHE 24 H PHE 24 -7.458 -6.709 -6.367
322 HA PHE 24 HA PHE 24 -6.331 -6.407 -3.617
323 HB2 PHE 24 HB2 PHE 24 -5.198 -4.397 -4.459
324 HB3 PHE 24 HB3 PHE 24 -4.679 -5.847 -5.290
325 HD1 PHE 24 HD1 PHE 24 -6.705 -2.735 -5.637
326 HD2 PHE 24 HD2 PHE 24 -5.005 -6.143 -7.672
327 HE1 PHE 24 HE1 PHE 24 -7.270 -1.714 -7.822
328 HE2 PHE 24 HE2 PHE 24 -5.557 -5.094 -9.859
329 HZ PHE 24 HZ PHE 24 -6.704 -2.888 -9.932
330 H PHE 25 H PHE 25 -6.805 -4.364 -2.602
331 HA PHE 25 HA PHE 25 -9.334 -2.996 -3.321
332 HB2 PHE 25 HB2 PHE 25 -9.752 -4.994 -1.810
333 HB3 PHE 25 HB3 PHE 25 -8.783 -4.199 -0.581
334 HD1 PHE 25 HD1 PHE 25 -11.741 -3.598 -2.846
335 HD2 PHE 25 HD2 PHE 25 -9.921 -2.825 0.991
336 HE1 PHE 25 HE1 PHE 25 -13.799 -2.424 -2.098
337 HE2 PHE 25 HE2 PHE 25 -11.979 -1.656 1.730
338 HZ PHE 25 HZ PHE 25 -13.925 -1.450 0.187
339 H TYR 26 H TYR 26 -6.779 -2.016 -3.740
340 HA TYR 26 HA TYR 26 -5.691 -0.542 -1.582
341 HB2 TYR 26 HB2 TYR 26 -4.115 0.187 -3.028
342 HB3 TYR 26 HB3 TYR 26 -4.581 -1.325 -3.756
343 HD1 TYR 26 HD1 TYR 26 -7.143 -0.318 -5.245
344 HD2 TYR 26 HD2 TYR 26 -3.141 1.262 -4.875
345 HE1 TYR 26 HE1 TYR 26 -7.388 0.823 -7.423
346 HE2 TYR 26 HE2 TYR 26 -3.408 2.426 -7.049
347 HH TYR 26 HH TYR 26 -6.406 2.189 -8.996
348 H THR 27 H THR 27 -5.472 1.754 -1.278
349 HA THR 27 HA THR 27 -7.999 3.257 -1.862
350 HB THR 27 HB THR 27 -7.616 4.226 0.441
351 HG1 THR 27 HG1 THR 27 -6.285 2.924 1.792
352 HG21 THR 27 HG21 THR 27 -8.567 2.308 1.604
353 HG22 THR 27 HG22 THR 27 -8.021 1.207 0.322
354 HG23 THR 27 HG23 THR 27 -9.278 2.425 -0.013
355 HA PRO 28 HA PRO 28 -4.555 6.073 -3.247
356 HB2 PRO 28 HB2 PRO 28 -5.318 6.528 -5.815
357 HB3 PRO 28 HB3 PRO 28 -4.406 5.058 -5.351
358 HG2 PRO 28 HG2 PRO 28 -7.420 5.354 -5.663
359 HG3 PRO 28 HG3 PRO 28 -6.362 4.135 -6.429
360 HD2 PRO 28 HD2 PRO 28 -7.697 3.593 -4.126
361 HD3 PRO 28 HD3 PRO 28 -6.025 3.006 -4.371
362 H LYS 29 H LYS 29 -4.736 8.303 -3.534
363 HA LYS 29 HA LYS 29 -5.533 10.342 -3.911
364 HB2 LYS 29 HB2 LYS 29 -8.394 9.320 -3.962
365 HB3 LYS 29 HB3 LYS 29 -7.842 10.941 -4.334
366 HG2 LYS 29 HG2 LYS 29 -6.496 10.087 -6.239
367 HG3 LYS 29 HG3 LYS 29 -7.065 8.440 -5.909
368 HD2 LYS 29 HD2 LYS 29 -9.413 9.177 -6.289
369 HD3 LYS 29 HD3 LYS 29 -8.833 10.819 -6.640
370 HE2 LYS 29 HE2 LYS 29 -7.455 9.916 -8.518
371 HE3 LYS 29 HE3 LYS 29 -8.059 8.286 -8.174
372 HZ1 LYS 29 HZ1 LYS 29 -9.306 9.336 -9.967
373 HZ2 LYS 29 HZ2 LYS 29 -9.741 10.587 -9.015
374 HZ3 LYS 29 HZ3 LYS 29 -10.299 9.078 -8.699
375 H THR 30 H THR 30 -5.148 11.634 -2.312
376 HA THR 30 HA THR 30 -5.834 11.405 0.422
377 HB THR 30 HB THR 30 -5.288 13.867 0.509
378 HG1 THR 30 HG1 THR 30 -4.598 14.803 -1.430
379 HG21 THR 30 HG21 THR 30 -3.291 12.190 -1.073
380 HG22 THR 30 HG22 THR 30 -3.523 12.102 0.684
381 HG23 THR 30 HG23 THR 30 -2.939 13.598 -0.055
382 H LYS 31 H LYS 31 -7.819 12.632 -2.177
383 HA LYS 31 HA LYS 31 -9.696 14.128 -0.605
384 HB2 LYS 31 HB2 LYS 31 -9.223 14.275 -3.071
385 HB3 LYS 31 HB3 LYS 31 -10.056 12.732 -3.299
386 HG2 LYS 31 HG2 LYS 31 -12.166 13.738 -2.523
387 HG3 LYS 31 HG3 LYS 31 -11.317 15.249 -2.112
388 HD2 LYS 31 HD2 LYS 31 -10.741 15.566 -4.504
389 HD3 LYS 31 HD3 LYS 31 -11.577 14.050 -4.907
390 HE2 LYS 31 HE2 LYS 31 -13.701 14.984 -4.010
391 HE3 LYS 31 HE3 LYS 31 -12.869 16.493 -3.599
392 HZ1 LYS 31 HZ1 LYS 31 -13.203 15.414 -6.343
393 HZ2 LYS 31 HZ2 LYS 31 -12.418 16.802 -5.976
394 HZ3 LYS 31 HZ3 LYS 31 -14.024 16.681 -5.712
395 H ARG 32 H ARG 32 -9.264 10.728 -0.828
396 HA ARG 32 HA ARG 32 -11.913 9.700 -0.625
397 HB2 ARG 32 HB2 ARG 32 -9.861 8.468 -1.287
398 HB3 ARG 32 HB3 ARG 32 -9.279 8.536 0.381
399 HG2 ARG 32 HG2 ARG 32 -11.241 7.193 1.119
400 HG3 ARG 32 HG3 ARG 32 -11.834 7.148 -0.552
401 HD2 ARG 32 HD2 ARG 32 -9.166 6.035 0.428
402 HD3 ARG 32 HD3 ARG 32 -10.605 5.064 0.136
403 HE ARG 32 HE ARG 32 -8.873 6.388 -1.897
404 HH11 ARG 32 HH11 ARG 32 -11.724 4.380 -1.422
405 HH12 ARG 32 HH12 ARG 32 -11.827 4.013 -3.119
406 HH21 ARG 32 HH21 ARG 32 -9.101 5.946 -3.966
407 HH22 ARG 32 HH22 ARG 32 -10.360 4.866 -4.541
Start of MODEL 28
1 H1 GLY 1 1H GLY 1 -2.064 7.605 2.402
2 H2 GLY 1 2H GLY 1 -1.528 6.502 3.490
3 H3 GLY 1 3H GLY 1 -3.113 6.904 3.451
4 HA2 GLY 1 HA2 GLY 1 -2.822 4.744 2.441
5 HA3 GLY 1 HA3 GLY 1 -3.374 5.938 1.254
6 H ILE 2 H ILE 2 -1.788 3.410 0.873
7 HA ILE 2 HA ILE 2 0.960 3.882 0.719
8 HB ILE 2 HB ILE 2 -0.009 1.710 0.851
9 HG12 ILE 2 HG12 ILE 2 1.592 1.794 -1.711
10 HG13 ILE 2 HG13 ILE 2 2.312 2.141 -0.132
11 HG21 ILE 2 HG21 ILE 2 -0.898 2.020 -2.048
12 HG22 ILE 2 HG22 ILE 2 -0.994 0.531 -1.091
13 HG23 ILE 2 HG23 ILE 2 -1.965 1.917 -0.629
14 HD11 ILE 2 HD11 ILE 2 1.673 -0.100 0.667
15 HD12 ILE 2 HD12 ILE 2 1.003 -0.489 -0.938
16 HD13 ILE 2 HD13 ILE 2 2.734 -0.157 -0.747
17 H VAL 3 H VAL 3 -1.308 4.795 -1.864
18 HA VAL 3 HA VAL 3 0.666 5.172 -3.861
19 HB VAL 3 HB VAL 3 -1.857 5.380 -4.129
20 HG11 VAL 3 HG11 VAL 3 -2.234 7.195 -2.420
21 HG12 VAL 3 HG12 VAL 3 -1.382 8.327 -3.481
22 HG13 VAL 3 HG13 VAL 3 -2.878 7.565 -4.028
23 HG21 VAL 3 HG21 VAL 3 -1.672 6.777 -6.106
24 HG22 VAL 3 HG22 VAL 3 -0.162 7.493 -5.521
25 HG23 VAL 3 HG23 VAL 3 -0.223 5.772 -5.954
26 H GLU 4 H GLU 4 0.035 7.100 -0.967
27 HA GLU 4 HA GLU 4 1.565 9.437 -1.776
28 HB2 GLU 4 HB2 GLU 4 0.712 8.495 0.983
29 HB3 GLU 4 HB3 GLU 4 1.364 10.078 0.596
30 HG2 GLU 4 HG2 GLU 4 -0.554 10.609 -0.809
31 HG3 GLU 4 HG3 GLU 4 -1.229 8.994 -0.593
32 H GLN 5 H GLN 5 2.510 6.280 -0.893
33 HA GLN 5 HA GLN 5 5.257 7.197 -0.142
34 HB2 GLN 5 HB2 GLN 5 4.141 5.505 1.367
35 HB3 GLN 5 HB3 GLN 5 4.036 4.396 0.000
36 HG2 GLN 5 HG2 GLN 5 5.961 3.779 1.278
37 HG3 GLN 5 HG3 GLN 5 6.562 4.496 -0.209
38 HE21 GLN 5 HE21 GLN 5 6.115 5.053 3.321
39 HE22 GLN 5 HE22 GLN 5 7.261 6.382 3.390
40 H CYS 6 HN CYS 6 3.576 4.744 -2.226
41 HA CYS 6 HA CYS 6 5.849 4.118 -3.779
42 HB2 CYS 6 HB2 CYS 6 2.875 3.939 -4.379
43 HB3 CYS 6 HB3 CYS 6 4.129 3.240 -5.386
44 H CYS 7 HN CYS 7 3.539 6.761 -4.338
45 HA CYS 7 HA CYS 7 4.605 7.304 -7.045
46 HB2 CYS 7 HB2 CYS 7 2.179 7.493 -6.255
47 HB3 CYS 7 HB3 CYS 7 2.654 8.976 -5.429
48 H THR 8 H THR 8 5.058 8.475 -3.782
49 HA THR 8 HA THR 8 6.429 10.977 -4.535
50 HB THR 8 HB THR 8 5.990 9.704 -1.809
51 HG1 THR 8 HG1 THR 8 4.064 10.637 -1.788
52 HG21 THR 8 HG21 THR 8 7.562 11.601 -1.719
53 HG22 THR 8 HG22 THR 8 6.006 12.049 -1.004
54 HG23 THR 8 HG23 THR 8 6.421 12.615 -2.639
55 H SER 9 H SER 9 7.250 7.790 -3.255
56 HA SER 9 HA SER 9 10.112 8.223 -3.836
57 HB2 SER 9 HB2 SER 9 9.642 8.867 -1.432
58 HB3 SER 9 HB3 SER 9 9.156 7.183 -1.149
59 HG SER 9 HG SER 9 11.407 7.673 -0.654
60 H ILE 10 H ILE 10 10.927 5.795 -2.686
61 HA ILE 10 HA ILE 10 9.832 3.758 -4.572
62 HB ILE 10 HB ILE 10 12.158 3.956 -2.671
63 HG12 ILE 10 HG12 ILE 10 12.462 4.995 -4.872
64 HG13 ILE 10 HG13 ILE 10 13.597 3.701 -4.556
65 HG21 ILE 10 HG21 ILE 10 11.344 1.391 -4.057
66 HG22 ILE 10 HG22 ILE 10 12.930 1.704 -3.308
67 HG23 ILE 10 HG23 ILE 10 11.485 1.689 -2.312
68 HD11 ILE 10 HD11 ILE 10 11.144 3.484 -6.348
69 HD12 ILE 10 HD12 ILE 10 12.826 3.644 -6.875
70 HD13 ILE 10 HD13 ILE 10 12.314 2.177 -6.031
71 H CYS 11 HN CYS 11 8.786 1.918 -3.982
72 HA CYS 11 HA CYS 11 8.344 1.302 -1.115
73 HB2 CYS 11 HB2 CYS 11 6.010 0.950 -1.374
74 HB3 CYS 11 HB3 CYS 11 6.376 2.564 -1.961
75 H SER 12 H SER 12 7.395 -0.930 -0.881
76 HA SER 12 HA SER 12 8.874 -2.826 -2.688
77 HB2 SER 12 HB2 SER 12 8.501 -2.772 0.333
78 HB3 SER 12 HB3 SER 12 9.258 -4.086 -0.569
79 HG SER 12 HG SER 12 10.781 -2.546 0.291
80 H LEU 13 H LEU 13 8.104 -4.969 -2.888
81 HA LEU 13 HA LEU 13 5.351 -5.175 -3.397
82 HB2 LEU 13 HB2 LEU 13 7.271 -7.484 -2.941
83 HB3 LEU 13 HB3 LEU 13 5.786 -7.495 -3.897
84 HG LEU 13 HG LEU 13 8.374 -6.025 -4.533
85 HD11 LEU 13 HD11 LEU 13 8.492 -7.580 -6.439
86 HD12 LEU 13 HD12 LEU 13 6.982 -8.357 -5.922
87 HD13 LEU 13 HD13 LEU 13 8.436 -8.460 -4.902
88 HD21 LEU 13 HD21 LEU 13 7.354 -5.413 -6.699
89 HD22 LEU 13 HD22 LEU 13 6.525 -4.632 -5.349
90 HD23 LEU 13 HD23 LEU 13 5.796 -6.045 -6.150
91 H TYR 14 H TYR 14 7.062 -6.140 -0.448
92 HA TYR 14 HA TYR 14 4.925 -7.534 0.837
93 HB2 TYR 14 HB2 TYR 14 7.261 -7.588 1.581
94 HB3 TYR 14 HB3 TYR 14 7.225 -5.868 1.929
95 HD1 TYR 14 HD1 TYR 14 5.718 -9.154 2.923
96 HD2 TYR 14 HD2 TYR 14 6.516 -5.070 4.060
97 HE1 TYR 14 HE1 TYR 14 4.946 -9.645 5.236
98 HE2 TYR 14 HE2 TYR 14 5.753 -5.556 6.372
99 HH TYR 14 HH TYR 14 4.925 -7.145 7.820
100 H GLN 15 H GLN 15 5.481 -4.077 0.395
101 HA GLN 15 HA GLN 15 3.452 -3.233 2.367
102 HB2 GLN 15 HB2 GLN 15 4.807 -1.635 0.146
103 HB3 GLN 15 HB3 GLN 15 3.860 -0.994 1.469
104 HG2 GLN 15 HG2 GLN 15 5.537 -1.795 3.105
105 HG3 GLN 15 HG3 GLN 15 6.507 -2.481 1.799
106 HE21 GLN 15 HE21 GLN 15 6.041 0.367 3.673
107 HE22 GLN 15 HE22 GLN 15 7.001 1.415 2.642
108 H LEU 16 H LEU 16 3.645 -3.813 -1.166
109 HA LEU 16 HA LEU 16 0.969 -2.915 -1.767
110 HB2 LEU 16 HB2 LEU 16 2.583 -5.098 -3.161
111 HB3 LEU 16 HB3 LEU 16 1.242 -4.195 -3.825
112 HG LEU 16 HG LEU 16 3.998 -3.093 -3.123
113 HD11 LEU 16 HD11 LEU 16 4.312 -2.882 -5.525
114 HD12 LEU 16 HD12 LEU 16 2.686 -3.540 -5.829
115 HD13 LEU 16 HD13 LEU 16 3.954 -4.553 -5.090
116 HD21 LEU 16 HD21 LEU 16 1.674 -1.638 -4.434
117 HD22 LEU 16 HD22 LEU 16 3.320 -1.013 -4.252
118 HD23 LEU 16 HD23 LEU 16 2.329 -1.310 -2.821
119 H GLU 17 H GLU 17 2.252 -6.170 -1.018
120 HA GLU 17 HA GLU 17 -0.154 -7.610 -0.993
121 HB2 GLU 17 HB2 GLU 17 2.563 -7.913 0.187
122 HB3 GLU 17 HB3 GLU 17 1.326 -8.833 1.001
123 HG2 GLU 17 HG2 GLU 17 1.745 -8.935 -2.010
124 HG3 GLU 17 HG3 GLU 17 2.564 -10.008 -0.883
125 H ASN 18 H ASN 18 1.009 -5.383 1.535
126 HA ASN 18 HA ASN 18 -0.564 -6.268 3.709
127 HB2 ASN 18 HB2 ASN 18 1.278 -4.603 3.822
128 HB3 ASN 18 HB3 ASN 18 0.250 -3.444 2.977
129 HD21 ASN 18 HD21 ASN 18 -1.104 -2.137 4.193
130 HD22 ASN 18 HD22 ASN 18 -1.413 -2.400 5.899
131 H TYR 19 H TYR 19 -1.572 -4.513 0.838
132 HA TYR 19 HA TYR 19 -4.246 -3.859 1.975
133 HB2 TYR 19 HB2 TYR 19 -2.772 -3.001 -0.539
134 HB3 TYR 19 HB3 TYR 19 -4.437 -2.561 -0.170
135 HD1 TYR 19 HD1 TYR 19 -0.909 -2.076 0.765
136 HD2 TYR 19 HD2 TYR 19 -4.976 -1.010 1.687
137 HE1 TYR 19 HE1 TYR 19 -0.094 -0.254 2.260
138 HE2 TYR 19 HE2 TYR 19 -4.177 0.848 3.123
139 HH TYR 19 HH TYR 19 -2.340 1.943 3.993
140 H CYS 20 HN CYS 20 -2.900 -6.482 0.442
141 HA CYS 20 HA CYS 20 -5.145 -7.098 -1.369
142 HB2 CYS 20 HB2 CYS 20 -2.634 -8.609 -0.665
143 HB3 CYS 20 HB3 CYS 20 -3.860 -9.159 -1.818
144 H ASN 21 H ASN 21 -6.243 -9.156 -1.282
145 HA ASN 21 HA ASN 21 -7.760 -9.348 1.128
146 HB2 ASN 21 HB2 ASN 21 -8.549 -9.766 -1.249
147 HB3 ASN 21 HB3 ASN 21 -7.636 -11.279 -1.226
148 HD21 ASN 21 HD22 ASN 21 -10.226 -9.517 0.530
149 HD22 ASN 21 HD21 ASN 21 -11.107 -10.973 0.963
150 H1 PHE 1 H1 PHE 1 15.389 -6.204 -9.148
151 H2 PHE 1 H2 PHE 1 15.796 -5.392 -7.777
152 H3 PHE 1 H3 PHE 1 14.514 -4.902 -8.676
153 HA PHE 1 HA PHE 1 13.317 -6.900 -8.195
154 HB2 PHE 1 HB2 PHE 1 14.188 -8.460 -6.461
155 HB3 PHE 1 HB3 PHE 1 15.057 -8.489 -7.984
156 HD1 PHE 1 HD1 PHE 1 15.260 -7.408 -4.411
157 HD2 PHE 1 HD2 PHE 1 17.414 -7.951 -8.116
158 HE1 PHE 1 HE1 PHE 1 17.397 -7.089 -3.215
159 HE2 PHE 1 HE2 PHE 1 19.556 -7.618 -6.908
160 HZ PHE 1 HZ PHE 1 19.556 -7.196 -4.457
161 H VAL 2 H VAL 2 11.740 -6.739 -6.687
162 HA VAL 2 HA VAL 2 10.496 -6.204 -4.961
163 HB VAL 2 HB VAL 2 13.053 -5.619 -3.420
164 HG11 VAL 2 HG11 VAL 2 11.630 -6.047 -1.413
165 HG12 VAL 2 HG12 VAL 2 11.143 -4.581 -2.274
166 HG13 VAL 2 HG13 VAL 2 10.192 -6.082 -2.448
167 HG21 VAL 2 HG21 VAL 2 11.297 -8.116 -3.582
168 HG22 VAL 2 HG22 VAL 2 12.927 -7.960 -4.264
169 HG23 VAL 2 HG23 VAL 2 12.694 -7.905 -2.519
170 H ASN 3 H ASN 3 13.046 -3.678 -5.002
171 HA ASN 3 HA ASN 3 11.252 -1.600 -4.058
172 HB2 ASN 3 HB2 ASN 3 14.106 -1.575 -5.130
173 HB3 ASN 3 HB3 ASN 3 13.303 -0.186 -4.419
174 HD21 ASN 3 HD21 ASN 3 12.173 -0.888 -2.087
175 HD22 ASN 3 HD22 ASN 3 13.319 -1.700 -1.056
176 H GLN 4 H GLN 4 9.931 -0.312 -5.269
177 HA GLN 4 HA GLN 4 10.672 0.460 -8.037
178 HB2 GLN 4 HB2 GLN 4 8.067 -0.974 -7.299
179 HB3 GLN 4 HB3 GLN 4 8.366 -0.141 -8.821
180 HG2 GLN 4 HG2 GLN 4 10.260 -1.732 -9.284
181 HG3 GLN 4 HG3 GLN 4 9.795 -2.638 -7.833
182 HE21 GLN 4 HE21 GLN 4 8.404 -1.438 -10.981
183 HE22 GLN 4 HE22 GLN 4 7.312 -2.810 -11.131
184 H HIS 5 H HIS 5 9.315 2.172 -8.900
185 HA HIS 5 HA HIS 5 7.876 3.839 -6.873
186 HB2 HIS 5 HB2 HIS 5 8.934 4.424 -9.690
187 HB3 HIS 5 HB3 HIS 5 7.849 5.484 -8.819
188 HD1 HIS 5 HD1 HIS 5 8.943 6.307 -6.275
189 HD2 HIS 5 HD2 HIS 5 11.429 5.118 -9.457
190 HE1 HIS 5 HE1 HIS 5 11.165 7.494 -5.927
191 H LEU 6 H LEU 6 5.569 3.993 -7.203
192 HA LEU 6 HA LEU 6 4.323 2.919 -9.668
193 HB2 LEU 6 HB2 LEU 6 3.895 1.760 -6.876
194 HB3 LEU 6 HB3 LEU 6 2.792 1.493 -8.216
195 HG LEU 6 HG LEU 6 5.707 0.610 -8.228
196 HD11 LEU 6 HD11 LEU 6 4.776 -1.644 -7.784
197 HD12 LEU 6 HD12 LEU 6 3.177 -0.914 -7.523
198 HD13 LEU 6 HD13 LEU 6 4.525 -0.521 -6.445
199 HD21 LEU 6 HD21 LEU 6 4.922 -0.861 -10.087
200 HD22 LEU 6 HD22 LEU 6 4.767 0.849 -10.504
201 HD23 LEU 6 HD23 LEU 6 3.330 -0.073 -10.027
202 H CYS 7 HN CYS 7 2.441 3.982 -10.167
203 HA CYS 7 HA CYS 7 0.970 5.457 -8.066
204 HB2 CYS 7 HB2 CYS 7 2.957 6.797 -9.016
205 HB3 CYS 7 HB3 CYS 7 2.027 6.942 -10.492
206 H GLY 8 H GLY 8 -1.163 5.756 -8.484
207 HA2 GLY 8 HA2 GLY 8 -3.242 5.592 -9.503
208 HA3 GLY 8 HA3 GLY 8 -2.396 6.119 -10.968
209 H SER 9 H SER 9 -3.109 4.896 -12.571
210 HA SER 9 HA SER 9 -4.075 2.269 -12.540
211 HB2 SER 9 HB2 SER 9 -2.570 3.631 -14.802
212 HB3 SER 9 HB3 SER 9 -3.724 2.294 -14.940
213 HG SER 9 HG SER 9 -4.693 4.345 -15.406
214 H HIS 10 H HIS 10 -0.646 3.302 -12.697
215 HA HIS 10 HA HIS 10 0.402 0.703 -13.404
216 HB2 HIS 10 HB2 HIS 10 1.838 2.918 -11.888
217 HB3 HIS 10 HB3 HIS 10 2.524 1.688 -12.925
218 HD1 HIS 10 HD1 HIS 10 1.052 5.155 -13.054
219 HD2 HIS 10 HD2 HIS 10 2.136 2.036 -15.670
220 HE1 HIS 10 HE1 HIS 10 1.145 6.181 -15.390
221 H LEU 11 H LEU 11 -0.174 2.396 -10.311
222 HA LEU 11 HA LEU 11 0.882 0.309 -8.600
223 HB2 LEU 11 HB2 LEU 11 0.627 2.680 -7.885
224 HB3 LEU 11 HB3 LEU 11 -1.113 2.572 -8.093
225 HG LEU 11 HG LEU 11 -1.243 0.912 -6.253
226 HD11 LEU 11 HD11 LEU 11 1.051 -0.051 -6.363
227 HD12 LEU 11 HD12 LEU 11 0.702 0.596 -4.755
228 HD13 LEU 11 HD13 LEU 11 1.725 1.520 -5.872
229 HD21 LEU 11 HD21 LEU 11 -1.536 3.337 -5.828
230 HD22 LEU 11 HD22 LEU 11 0.210 3.485 -5.523
231 HD23 LEU 11 HD23 LEU 11 -0.802 2.518 -4.436
232 H VAL 12 H VAL 12 -2.399 1.105 -9.722
233 HA VAL 12 HA VAL 12 -3.800 -1.046 -8.513
234 HB VAL 12 HB VAL 12 -4.307 0.546 -11.033
235 HG11 VAL 12 HG11 VAL 12 -6.162 -1.571 -9.857
236 HG12 VAL 12 HG12 VAL 12 -6.635 -0.342 -11.048
237 HG13 VAL 12 HG13 VAL 12 -5.446 -1.568 -11.481
238 HG21 VAL 12 HG21 VAL 12 -6.069 1.586 -9.678
239 HG22 VAL 12 HG22 VAL 12 -5.720 0.481 -8.327
240 HG23 VAL 12 HG23 VAL 12 -4.526 1.694 -8.825
241 H GLU 13 H GLU 13 -2.207 -0.962 -11.766
242 HA GLU 13 HA GLU 13 -2.754 -3.684 -12.416
243 HB2 GLU 13 HB2 GLU 13 -2.098 -1.931 -14.025
244 HB3 GLU 13 HB3 GLU 13 -0.469 -1.887 -13.334
245 HG2 GLU 13 HG2 GLU 13 -0.072 -4.203 -14.027
246 HG3 GLU 13 HG3 GLU 13 -1.740 -4.360 -14.572
247 H ALA 14 H ALA 14 0.101 -2.200 -10.759
248 HA ALA 14 HA ALA 14 1.588 -4.618 -10.488
249 HB1 ALA 14 HB1 ALA 14 2.558 -2.396 -10.196
250 HB2 ALA 14 HB2 ALA 14 1.536 -2.109 -8.769
251 HB3 ALA 14 HB3 ALA 14 2.796 -3.358 -8.724
252 H LEU 15 H LEU 15 -0.882 -3.169 -8.298
253 HA LEU 15 HA LEU 15 -0.752 -5.146 -6.239
254 HB2 LEU 15 HB2 LEU 15 -2.739 -3.120 -7.223
255 HB3 LEU 15 HB3 LEU 15 -3.397 -4.455 -6.319
256 HG LEU 15 HG LEU 15 -2.993 -2.488 -4.929
257 HD11 LEU 15 HD11 LEU 15 -3.036 -4.754 -3.957
258 HD12 LEU 15 HD12 LEU 15 -2.029 -3.630 -3.042
259 HD13 LEU 15 HD13 LEU 15 -1.263 -4.842 -4.086
260 HD21 LEU 15 HD21 LEU 15 -0.703 -1.929 -4.174
261 HD22 LEU 15 HD22 LEU 15 -1.008 -1.516 -5.859
262 HD23 LEU 15 HD23 LEU 15 -0.041 -2.959 -5.467
263 H TYR 16 H TYR 16 -2.712 -5.157 -9.273
264 HA TYR 16 HA TYR 16 -3.833 -7.775 -8.794
265 HB2 TYR 16 HB2 TYR 16 -3.451 -6.124 -11.318
266 HB3 TYR 16 HB3 TYR 16 -4.181 -7.718 -11.333
267 HD1 TYR 16 HD1 TYR 16 -6.060 -7.982 -9.284
268 HD2 TYR 16 HD2 TYR 16 -5.081 -4.446 -11.562
269 HE1 TYR 16 HE1 TYR 16 -8.343 -7.102 -8.889
270 HE2 TYR 16 HE2 TYR 16 -7.375 -3.567 -11.173
271 HH TYR 16 HH TYR 16 -9.818 -5.364 -9.256
272 H LEU 17 H LEU 17 -0.819 -6.782 -10.475
273 HA LEU 17 HA LEU 17 -0.173 -9.463 -11.365
274 HB2 LEU 17 HB2 LEU 17 1.477 -6.932 -10.966
275 HB3 LEU 17 HB3 LEU 17 2.168 -8.417 -11.598
276 HG LEU 17 HG LEU 17 -0.165 -6.980 -12.941
277 HD11 LEU 17 HD11 LEU 17 1.519 -6.152 -14.540
278 HD12 LEU 17 HD12 LEU 17 2.821 -6.903 -13.594
279 HD13 LEU 17 HD13 LEU 17 1.869 -5.564 -12.908
280 HD21 LEU 17 HD21 LEU 17 -0.047 -9.359 -13.549
281 HD22 LEU 17 HD22 LEU 17 1.688 -9.207 -13.908
282 HD23 LEU 17 HD23 LEU 17 0.486 -8.358 -14.901
283 H VAL 18 H VAL 18 0.824 -7.627 -8.470
284 HA VAL 18 HA VAL 18 2.612 -9.665 -7.496
285 HB VAL 18 HB VAL 18 1.307 -7.265 -6.166
286 HG11 VAL 18 HG11 VAL 18 3.433 -9.101 -4.969
287 HG12 VAL 18 HG12 VAL 18 2.954 -7.509 -4.324
288 HG13 VAL 18 HG13 VAL 18 1.787 -8.840 -4.346
289 HG21 VAL 18 HG21 VAL 18 3.509 -6.289 -6.394
290 HG22 VAL 18 HG22 VAL 18 4.204 -7.815 -6.975
291 HG23 VAL 18 HG23 VAL 18 3.059 -6.916 -7.978
292 H CYS 19 HN CYS 19 -0.775 -8.830 -6.546
293 HA CYS 19 HA CYS 19 -0.846 -11.154 -4.717
294 HB2 CYS 19 HB2 CYS 19 -2.832 -8.932 -5.302
295 HB3 CYS 19 HB3 CYS 19 -2.983 -10.142 -4.020
296 H GLY 20 H GLY 20 -1.676 -10.690 -7.988
297 HA2 GLY 20 HA2 GLY 20 -2.586 -12.156 -9.523
298 HA3 GLY 20 HA3 GLY 20 -2.735 -13.359 -8.228
299 H GLU 21 H GLU 21 -4.711 -13.995 -9.162
300 HA GLU 21 HA GLU 21 -7.036 -12.360 -9.423
301 HB2 GLU 21 HB2 GLU 21 -8.240 -14.435 -9.661
302 HB3 GLU 21 HB3 GLU 21 -6.714 -14.530 -10.529
303 HG2 GLU 21 HG2 GLU 21 -5.732 -15.852 -8.641
304 HG3 GLU 21 HG3 GLU 21 -7.282 -15.776 -7.799
305 H ARG 22 H ARG 22 -5.492 -13.254 -6.547
306 HA ARG 22 HA ARG 22 -7.614 -13.784 -4.764
307 HB2 ARG 22 HB2 ARG 22 -4.930 -13.854 -4.640
308 HB3 ARG 22 HB3 ARG 22 -5.151 -12.272 -3.882
309 HG2 ARG 22 HG2 ARG 22 -6.674 -13.389 -2.196
310 HG3 ARG 22 HG3 ARG 22 -6.399 -14.924 -3.027
311 HD2 ARG 22 HD2 ARG 22 -4.895 -14.981 -1.243
312 HD3 ARG 22 HD3 ARG 22 -3.888 -14.564 -2.631
313 HE ARG 22 HE ARG 22 -4.937 -12.637 -0.564
314 HH11 ARG 22 HH11 ARG 22 -2.233 -13.332 -2.787
315 HH12 ARG 22 HH12 ARG 22 -1.246 -12.103 -2.007
316 HH21 ARG 22 HH21 ARG 22 -3.693 -11.262 0.313
317 HH22 ARG 22 HH22 ARG 22 -2.028 -10.973 -0.251
318 H GLY 23 H GLY 23 -6.402 -10.723 -6.027
319 HA2 GLY 23 HA2 GLY 23 -7.479 -8.679 -6.175
320 HA3 GLY 23 HA3 GLY 23 -8.799 -9.297 -5.166
321 H PHE 24 H PHE 24 -8.192 -6.790 -4.807
322 HA PHE 24 HA PHE 24 -7.035 -6.637 -2.124
323 HB2 PHE 24 HB2 PHE 24 -5.383 -5.028 -2.688
324 HB3 PHE 24 HB3 PHE 24 -5.203 -6.354 -3.821
325 HD1 PHE 24 HD1 PHE 24 -6.104 -6.092 -6.213
326 HD2 PHE 24 HD2 PHE 24 -5.681 -2.810 -3.450
327 HE1 PHE 24 HE1 PHE 24 -6.087 -4.493 -8.101
328 HE2 PHE 24 HE2 PHE 24 -5.654 -1.213 -5.351
329 HZ PHE 24 HZ PHE 24 -5.869 -2.050 -7.675
330 H PHE 25 H PHE 25 -7.409 -4.683 -0.999
331 HA PHE 25 HA PHE 25 -10.174 -3.805 -1.485
332 HB2 PHE 25 HB2 PHE 25 -9.376 -4.768 0.663
333 HB3 PHE 25 HB3 PHE 25 -8.268 -3.422 0.859
334 HD1 PHE 25 HD1 PHE 25 -11.886 -4.335 0.614
335 HD2 PHE 25 HD2 PHE 25 -9.014 -1.358 1.838
336 HE1 PHE 25 HE1 PHE 25 -13.686 -3.075 1.779
337 HE2 PHE 25 HE2 PHE 25 -10.813 -0.100 3.003
338 HZ PHE 25 HZ PHE 25 -13.152 -0.953 2.972
339 H TYR 26 H TYR 26 -6.966 -2.359 -1.525
340 HA TYR 26 HA TYR 26 -7.699 0.324 -0.940
341 HB2 TYR 26 HB2 TYR 26 -5.510 -0.628 -0.551
342 HB3 TYR 26 HB3 TYR 26 -5.239 -0.866 -2.269
343 HD1 TYR 26 HD2 TYR 26 -5.836 1.763 0.331
344 HD2 TYR 26 HD1 TYR 26 -4.176 0.841 -3.544
345 HE1 TYR 26 HE2 TYR 26 -4.828 4.026 0.237
346 HE2 TYR 26 HE1 TYR 26 -3.147 3.109 -3.640
347 HH TYR 26 HH TYR 26 -3.579 5.499 -1.000
348 H THR 27 H THR 27 -7.673 2.205 -2.147
349 HA THR 27 HA THR 27 -7.577 2.136 -5.101
350 HB THR 27 HB THR 27 -9.394 3.896 -5.170
351 HG1 THR 27 HG1 THR 27 -10.847 3.848 -3.396
352 HG21 THR 27 HG21 THR 27 -10.287 1.147 -4.197
353 HG22 THR 27 HG22 THR 27 -9.791 1.530 -5.857
354 HG23 THR 27 HG23 THR 27 -11.231 2.298 -5.166
355 HA PRO 28 HA PRO 28 -4.611 5.148 -4.146
356 HB2 PRO 28 HB2 PRO 28 -4.317 6.578 -6.472
357 HB3 PRO 28 HB3 PRO 28 -3.796 4.879 -6.264
358 HG2 PRO 28 HG2 PRO 28 -6.380 5.907 -7.478
359 HG3 PRO 28 HG3 PRO 28 -5.262 4.662 -8.132
360 HD2 PRO 28 HD2 PRO 28 -7.513 3.986 -6.757
361 HD3 PRO 28 HD3 PRO 28 -5.992 3.053 -6.562
362 H LYS 29 H LYS 29 -4.761 6.799 -2.811
363 HA LYS 29 HA LYS 29 -7.027 8.492 -2.578
364 HB2 LYS 29 HB2 LYS 29 -4.219 8.764 -1.414
365 HB3 LYS 29 HB3 LYS 29 -5.612 9.685 -0.880
366 HG2 LYS 29 HG2 LYS 29 -5.157 6.694 -0.611
367 HG3 LYS 29 HG3 LYS 29 -5.249 7.884 0.676
368 HD2 LYS 29 HD2 LYS 29 -7.533 6.921 -1.095
369 HD3 LYS 29 HD3 LYS 29 -7.273 6.519 0.599
370 HE2 LYS 29 HE2 LYS 29 -7.748 8.745 1.340
371 HE3 LYS 29 HE3 LYS 29 -7.635 9.402 -0.304
372 HZ1 LYS 29 HZ1 LYS 29 -9.945 9.119 0.404
373 HZ2 LYS 29 HZ2 LYS 29 -9.735 7.498 0.551
374 HZ3 LYS 29 HZ3 LYS 29 -9.588 8.224 -0.924
375 H THR 30 H THR 30 -4.388 8.876 -4.680
376 HA THR 30 HA THR 30 -4.441 11.695 -5.227
377 HB THR 30 HB THR 30 -3.913 9.386 -7.152
378 HG1 THR 30 HG1 THR 30 -2.116 10.711 -5.387
379 HG21 THR 30 HG21 THR 30 -3.922 11.552 -8.299
380 HG22 THR 30 HG22 THR 30 -2.259 10.975 -8.142
381 HG23 THR 30 HG23 THR 30 -2.861 12.252 -7.063
382 H LYS 31 H LYS 31 -6.527 9.018 -6.236
383 HA LYS 31 HA LYS 31 -8.113 10.848 -8.006
384 HB2 LYS 31 HB2 LYS 31 -6.619 9.070 -9.020
385 HB3 LYS 31 HB3 LYS 31 -7.660 7.846 -8.276
386 HG2 LYS 31 HG2 LYS 31 -9.569 8.596 -9.603
387 HG3 LYS 31 HG3 LYS 31 -8.648 9.990 -10.216
388 HD2 LYS 31 HD2 LYS 31 -7.063 8.441 -11.336
389 HD3 LYS 31 HD3 LYS 31 -7.997 7.050 -10.733
390 HE2 LYS 31 HE2 LYS 31 -10.001 7.873 -11.962
391 HE3 LYS 31 HE3 LYS 31 -9.074 9.276 -12.534
392 HZ1 LYS 31 HZ1 LYS 31 -9.152 7.537 -14.207
393 HZ2 LYS 31 HZ2 LYS 31 -8.458 6.450 -13.200
394 HZ3 LYS 31 HZ3 LYS 31 -7.610 7.751 -13.718
395 H ARG 32 H ARG 32 -8.390 8.686 -5.271
396 HA ARG 32 HA ARG 32 -11.351 9.087 -5.202
397 HB2 ARG 32 HB2 ARG 32 -9.838 6.460 -4.843
398 HB3 ARG 32 HB3 ARG 32 -11.515 6.691 -4.375
399 HG2 ARG 32 HG2 ARG 32 -10.454 6.943 -7.229
400 HG3 ARG 32 HG3 ARG 32 -11.283 5.542 -6.560
401 HD2 ARG 32 HD2 ARG 32 -13.312 6.845 -6.172
402 HD3 ARG 32 HD3 ARG 32 -12.538 8.314 -6.749
403 HE ARG 32 HE ARG 32 -13.407 5.995 -8.369
404 HH11 ARG 32 HH11 ARG 32 -11.870 9.166 -8.459
405 HH12 ARG 32 HH12 ARG 32 -12.380 9.437 -10.107
406 HH21 ARG 32 HH21 ARG 32 -13.892 6.384 -10.488
407 HH22 ARG 32 HH22 ARG 32 -13.437 7.887 -11.236
Start of MODEL 29
1 H1 GLY 1 1H GLY 1 -3.101 7.096 1.497
2 H2 GLY 1 2H GLY 1 -4.670 7.439 1.164
3 H3 GLY 1 3H GLY 1 -3.495 7.822 0.085
4 HA2 GLY 1 HA2 GLY 1 -4.288 5.090 0.865
5 HA3 GLY 1 HA3 GLY 1 -4.691 5.871 -0.669
6 H ILE 2 H ILE 2 -3.466 3.542 -0.995
7 HA ILE 2 HA ILE 2 -0.687 3.374 -0.574
8 HB ILE 2 HB ILE 2 -2.111 1.453 -1.011
9 HG12 ILE 2 HG12 ILE 2 -0.683 0.096 -2.453
10 HG13 ILE 2 HG13 ILE 2 0.138 1.536 -3.051
11 HG21 ILE 2 HG21 ILE 2 -2.174 2.285 -3.943
12 HG22 ILE 2 HG22 ILE 2 -2.849 0.800 -3.245
13 HG23 ILE 2 HG23 ILE 2 -3.531 2.370 -2.807
14 HD11 ILE 2 HD11 ILE 2 0.128 0.630 -0.138
15 HD12 ILE 2 HD12 ILE 2 1.414 0.295 -1.316
16 HD13 ILE 2 HD13 ILE 2 1.085 1.966 -0.832
17 H VAL 3 H VAL 3 -2.255 4.831 -3.419
18 HA VAL 3 HA VAL 3 0.167 5.114 -4.912
19 HB VAL 3 HB VAL 3 -2.197 5.435 -5.746
20 HG11 VAL 3 HG11 VAL 3 -3.193 7.640 -5.733
21 HG12 VAL 3 HG12 VAL 3 -2.915 7.126 -4.055
22 HG13 VAL 3 HG13 VAL 3 -1.836 8.308 -4.821
23 HG21 VAL 3 HG21 VAL 3 -0.190 5.870 -7.119
24 HG22 VAL 3 HG22 VAL 3 -1.550 6.914 -7.552
25 HG23 VAL 3 HG23 VAL 3 -0.212 7.571 -6.600
26 H GLU 4 H GLU 4 -0.953 6.957 -2.148
27 HA GLU 4 HA GLU 4 0.801 9.248 -2.484
28 HB2 GLU 4 HB2 GLU 4 -1.376 9.102 -1.200
29 HB3 GLU 4 HB3 GLU 4 -0.515 8.157 0.024
30 HG2 GLU 4 HG2 GLU 4 0.903 10.043 0.572
31 HG3 GLU 4 HG3 GLU 4 0.245 10.983 -0.772
32 H GLN 5 H GLN 5 1.323 5.972 -1.559
33 HA GLN 5 HA GLN 5 3.883 6.588 -0.142
34 HB2 GLN 5 HB2 GLN 5 2.178 5.206 1.023
35 HB3 GLN 5 HB3 GLN 5 2.222 4.030 -0.291
36 HG2 GLN 5 HG2 GLN 5 4.546 3.472 0.213
37 HG3 GLN 5 HG3 GLN 5 4.636 4.773 1.409
38 HE21 GLN 5 HE21 GLN 5 3.331 4.551 3.440
39 HE22 GLN 5 HE22 GLN 5 2.847 2.937 3.939
40 H CYS 6 HN CYS 6 2.470 4.551 -2.765
41 HA CYS 6 HA CYS 6 5.069 3.620 -3.668
42 HB2 CYS 6 HB2 CYS 6 2.215 3.387 -4.627
43 HB3 CYS 6 HB3 CYS 6 3.551 2.766 -5.586
44 H CYS 7 HN CYS 7 3.110 6.402 -4.725
45 HA CYS 7 HA CYS 7 4.474 6.451 -7.341
46 HB2 CYS 7 HB2 CYS 7 2.079 6.992 -7.073
47 HB3 CYS 7 HB3 CYS 7 2.515 8.427 -6.136
48 H THR 8 H THR 8 4.316 8.751 -4.580
49 HA THR 8 HA THR 8 6.374 10.490 -5.675
50 HB THR 8 HB THR 8 6.072 11.645 -3.438
51 HG1 THR 8 HG1 THR 8 4.358 10.865 -2.167
52 HG21 THR 8 HG21 THR 8 4.732 12.293 -5.426
53 HG22 THR 8 HG22 THR 8 3.819 12.472 -3.924
54 HG23 THR 8 HG23 THR 8 3.496 11.088 -4.990
55 H SER 9 H SER 9 6.442 7.725 -3.608
56 HA SER 9 HA SER 9 9.392 8.015 -3.355
57 HB2 SER 9 HB2 SER 9 8.235 8.609 -1.188
58 HB3 SER 9 HB3 SER 9 7.652 6.935 -1.118
59 HG SER 9 HG SER 9 9.670 7.342 0.034
60 H ILE 10 H ILE 10 9.985 5.660 -2.250
61 HA ILE 10 HA ILE 10 9.308 3.698 -4.404
62 HB ILE 10 HB ILE 10 11.504 3.850 -2.310
63 HG12 ILE 10 HG12 ILE 10 11.548 3.829 -5.366
64 HG13 ILE 10 HG13 ILE 10 11.737 5.256 -4.350
65 HG21 ILE 10 HG21 ILE 10 10.863 1.478 -2.464
66 HG22 ILE 10 HG22 ILE 10 11.011 1.546 -4.236
67 HG23 ILE 10 HG23 ILE 10 12.427 1.751 -3.182
68 HD11 ILE 10 HD11 ILE 10 13.694 2.948 -4.592
69 HD12 ILE 10 HD12 ILE 10 13.907 4.629 -5.097
70 HD13 ILE 10 HD13 ILE 10 13.814 4.235 -3.366
71 H CYS 11 HN CYS 11 8.213 1.816 -4.064
72 HA CYS 11 HA CYS 11 7.727 0.966 -1.259
73 HB2 CYS 11 HB2 CYS 11 5.457 0.518 -1.565
74 HB3 CYS 11 HB3 CYS 11 5.707 2.162 -2.115
75 H SER 12 H SER 12 7.399 -1.210 -0.938
76 HA SER 12 HA SER 12 8.831 -2.981 -2.829
77 HB2 SER 12 HB2 SER 12 9.560 -2.854 -0.511
78 HB3 SER 12 HB3 SER 12 7.932 -3.270 0.060
79 HG SER 12 HG SER 12 9.416 -5.054 -0.003
80 H LEU 13 H LEU 13 8.070 -5.061 -3.430
81 HA LEU 13 HA LEU 13 5.249 -5.405 -3.947
82 HB2 LEU 13 HB2 LEU 13 7.696 -7.200 -4.031
83 HB3 LEU 13 HB3 LEU 13 6.085 -7.897 -4.142
84 HG LEU 13 HG LEU 13 5.544 -6.546 -6.104
85 HD11 LEU 13 HD11 LEU 13 7.305 -5.361 -7.371
86 HD12 LEU 13 HD12 LEU 13 8.399 -5.538 -5.987
87 HD13 LEU 13 HD13 LEU 13 6.924 -4.557 -5.846
88 HD21 LEU 13 HD21 LEU 13 7.002 -7.745 -7.687
89 HD22 LEU 13 HD22 LEU 13 6.482 -8.796 -6.370
90 HD23 LEU 13 HD23 LEU 13 8.128 -8.139 -6.371
91 H TYR 14 H TYR 14 7.266 -6.144 -1.158
92 HA TYR 14 HA TYR 14 5.411 -7.804 0.267
93 HB2 TYR 14 HB2 TYR 14 7.818 -7.505 0.806
94 HB3 TYR 14 HB3 TYR 14 7.506 -5.837 1.274
95 HD1 TYR 14 HD1 TYR 14 6.825 -9.397 2.130
96 HD2 TYR 14 HD2 TYR 14 6.639 -5.309 3.472
97 HE1 TYR 14 HE1 TYR 14 6.319 -10.180 4.434
98 HE2 TYR 14 HE2 TYR 14 6.133 -6.080 5.778
99 HH TYR 14 HH TYR 14 5.861 -9.571 6.609
100 H GLN 15 H GLN 15 5.502 -4.306 -0.225
101 HA GLN 15 HA GLN 15 3.437 -3.717 1.819
102 HB2 GLN 15 HB2 GLN 15 4.728 -2.014 -0.358
103 HB3 GLN 15 HB3 GLN 15 3.501 -1.425 0.753
104 HG2 GLN 15 HG2 GLN 15 4.904 -1.608 2.649
105 HG3 GLN 15 HG3 GLN 15 6.062 -2.659 1.821
106 HE21 GLN 15 HE21 GLN 15 4.786 0.778 1.674
107 HE22 GLN 15 HE22 GLN 15 6.344 1.383 1.124
108 H LEU 16 H LEU 16 3.660 -3.973 -1.771
109 HA LEU 16 HA LEU 16 0.924 -3.502 -2.366
110 HB2 LEU 16 HB2 LEU 16 2.842 -5.437 -3.748
111 HB3 LEU 16 HB3 LEU 16 1.355 -4.815 -4.425
112 HG LEU 16 HG LEU 16 3.851 -3.190 -3.803
113 HD11 LEU 16 HD11 LEU 16 4.015 -2.982 -6.239
114 HD12 LEU 16 HD12 LEU 16 2.541 -3.951 -6.446
115 HD13 LEU 16 HD13 LEU 16 4.015 -4.678 -5.771
116 HD21 LEU 16 HD21 LEU 16 2.718 -1.317 -4.947
117 HD22 LEU 16 HD22 LEU 16 1.871 -1.763 -3.461
118 HD23 LEU 16 HD23 LEU 16 1.224 -2.268 -5.037
119 H GLU 17 H GLU 17 2.491 -6.693 -1.741
120 HA GLU 17 HA GLU 17 0.102 -8.232 -1.838
121 HB2 GLU 17 HB2 GLU 17 2.739 -8.699 -0.392
122 HB3 GLU 17 HB3 GLU 17 1.412 -9.858 -0.390
123 HG2 GLU 17 HG2 GLU 17 1.457 -9.841 -2.915
124 HG3 GLU 17 HG3 GLU 17 2.924 -8.869 -2.832
125 H ASN 18 H ASN 18 1.503 -6.410 0.895
126 HA ASN 18 HA ASN 18 -0.341 -7.442 2.867
127 HB2 ASN 18 HB2 ASN 18 1.869 -6.512 3.425
128 HB3 ASN 18 HB3 ASN 18 1.366 -4.934 2.811
129 HD21 ASN 18 HD21 ASN 18 0.554 -7.426 5.291
130 HD22 ASN 18 HD22 ASN 18 -0.080 -6.278 6.451
131 H TYR 19 H TYR 19 -0.448 -4.678 0.601
132 HA TYR 19 HA TYR 19 -2.851 -3.513 1.717
133 HB2 TYR 19 HB2 TYR 19 -0.920 -2.719 -0.144
134 HB3 TYR 19 HB3 TYR 19 -2.328 -2.986 -1.144
135 HD1 TYR 19 HD2 TYR 19 -0.941 -1.133 1.750
136 HD2 TYR 19 HD1 TYR 19 -4.262 -1.484 -0.972
137 HE1 TYR 19 HE2 TYR 19 -1.848 1.015 2.593
138 HE2 TYR 19 HE1 TYR 19 -5.193 0.661 -0.126
139 HH TYR 19 HH TYR 19 -3.570 2.550 2.467
140 H CYS 20 HN CYS 20 -2.229 -5.728 -1.014
141 HA CYS 20 HA CYS 20 -4.866 -6.210 -1.938
142 HB2 CYS 20 HB2 CYS 20 -2.370 -7.916 -1.727
143 HB3 CYS 20 HB3 CYS 20 -3.808 -8.430 -2.598
144 H ASN 21 H ASN 21 -6.489 -7.529 -1.317
145 HA ASN 21 HA ASN 21 -6.553 -9.444 0.785
146 HB2 ASN 21 HB2 ASN 21 -7.572 -8.251 2.576
147 HB3 ASN 21 HB3 ASN 21 -6.138 -7.330 2.166
148 HD21 ASN 21 HD21 ASN 21 -6.488 -5.271 0.883
149 HD22 ASN 21 HD22 ASN 21 -8.050 -4.486 1.046
150 H1 PHE 1 H1 PHE 1 13.783 -6.254 -0.287
151 H2 PHE 1 H2 PHE 1 14.568 -7.474 -1.042
152 H3 PHE 1 H3 PHE 1 13.638 -7.801 0.267
153 HA PHE 1 HA PHE 1 12.519 -8.477 -1.745
154 HB2 PHE 1 HB2 PHE 1 11.259 -6.072 -0.366
155 HB3 PHE 1 HB3 PHE 1 10.396 -7.175 -1.430
156 HD1 PHE 1 HD2 PHE 1 10.370 -9.716 -0.765
157 HD2 PHE 1 HD1 PHE 1 11.254 -6.481 1.956
158 HE1 PHE 1 HE2 PHE 1 9.738 -11.155 1.158
159 HE2 PHE 1 HE1 PHE 1 10.635 -7.932 3.874
160 HZ PHE 1 HZ PHE 1 9.871 -10.260 3.476
161 H VAL 2 H VAL 2 11.409 -7.806 -3.736
162 HA VAL 2 HA VAL 2 12.837 -5.835 -5.330
163 HB VAL 2 HB VAL 2 10.202 -7.244 -5.888
164 HG11 VAL 2 HG11 VAL 2 10.415 -5.228 -7.314
165 HG12 VAL 2 HG12 VAL 2 12.058 -5.715 -7.773
166 HG13 VAL 2 HG13 VAL 2 10.653 -6.686 -8.278
167 HG21 VAL 2 HG21 VAL 2 13.042 -7.906 -6.785
168 HG22 VAL 2 HG22 VAL 2 12.034 -8.867 -5.679
169 HG23 VAL 2 HG23 VAL 2 11.568 -8.708 -7.374
170 H ASN 3 H ASN 3 12.261 -3.740 -5.833
171 HA ASN 3 HA ASN 3 9.839 -2.486 -4.783
172 HB2 ASN 3 HB2 ASN 3 10.990 -1.066 -3.173
173 HB3 ASN 3 HB3 ASN 3 11.302 -2.741 -2.767
174 HD21 ASN 3 HD21 ASN 3 13.507 -3.640 -3.285
175 HD22 ASN 3 HD22 ASN 3 14.831 -2.504 -3.533
176 H GLN 4 H GLN 4 9.521 -0.326 -5.477
177 HA GLN 4 HA GLN 4 11.350 1.289 -6.946
178 HB2 GLN 4 HB2 GLN 4 10.071 -0.871 -8.493
179 HB3 GLN 4 HB3 GLN 4 9.563 0.672 -9.099
180 HG2 GLN 4 HG2 GLN 4 12.482 -0.169 -8.793
181 HG3 GLN 4 HG3 GLN 4 11.526 -0.261 -10.263
182 HE21 GLN 4 HE21 GLN 4 13.556 1.074 -10.949
183 HE22 GLN 4 HE22 GLN 4 13.363 2.814 -10.807
184 H HIS 5 H HIS 5 10.016 2.944 -8.314
185 HA HIS 5 HA HIS 5 7.693 3.975 -6.789
186 HB2 HIS 5 HB2 HIS 5 9.137 4.889 -9.317
187 HB3 HIS 5 HB3 HIS 5 7.692 5.661 -8.690
188 HD1 HIS 5 HD1 HIS 5 8.026 7.497 -6.895
189 HD2 HIS 5 HD2 HIS 5 11.418 5.133 -7.690
190 HE1 HIS 5 HE1 HIS 5 9.986 8.655 -5.751
191 H LEU 6 H LEU 6 5.591 3.681 -7.401
192 HA LEU 6 HA LEU 6 4.819 2.733 -10.111
193 HB2 LEU 6 HB2 LEU 6 4.151 1.399 -7.458
194 HB3 LEU 6 HB3 LEU 6 3.127 1.196 -8.873
195 HG LEU 6 HG LEU 6 6.075 0.435 -8.849
196 HD11 LEU 6 HD11 LEU 6 3.600 -1.233 -8.252
197 HD12 LEU 6 HD12 LEU 6 4.935 -0.866 -7.147
198 HD13 LEU 6 HD13 LEU 6 5.219 -1.900 -8.560
199 HD21 LEU 6 HD21 LEU 6 5.137 0.761 -11.121
200 HD22 LEU 6 HD22 LEU 6 3.769 -0.300 -10.716
201 HD23 LEU 6 HD23 LEU 6 5.417 -0.956 -10.807
202 H CYS 7 HN CYS 7 2.950 3.728 -10.821
203 HA CYS 7 HA CYS 7 1.353 5.298 -8.841
204 HB2 CYS 7 HB2 CYS 7 3.344 6.517 -10.092
205 HB3 CYS 7 HB3 CYS 7 2.232 6.545 -11.447
206 H GLY 8 H GLY 8 -0.757 5.710 -9.349
207 HA2 GLY 8 HA2 GLY 8 -2.851 5.420 -10.297
208 HA3 GLY 8 HA3 GLY 8 -1.993 5.895 -11.757
209 H SER 9 H SER 9 -2.629 4.668 -13.380
210 HA SER 9 HA SER 9 -3.771 2.119 -13.344
211 HB2 SER 9 HB2 SER 9 -2.080 3.336 -15.562
212 HB3 SER 9 HB3 SER 9 -3.331 2.094 -15.735
213 HG SER 9 HG SER 9 -4.103 4.231 -16.253
214 H HIS 10 H HIS 10 -0.244 2.896 -13.513
215 HA HIS 10 HA HIS 10 0.496 0.100 -13.970
216 HB2 HIS 10 HB2 HIS 10 2.068 2.601 -13.285
217 HB3 HIS 10 HB3 HIS 10 2.781 1.004 -13.490
218 HD1 HIS 10 HD1 HIS 10 1.641 -0.137 -16.081
219 HD2 HIS 10 HD2 HIS 10 2.450 3.962 -15.482
220 HE1 HIS 10 HE1 HIS 10 1.898 0.900 -18.390
221 H LEU 11 H LEU 11 0.048 2.134 -11.088
222 HA LEU 11 HA LEU 11 1.088 0.120 -9.261
223 HB2 LEU 11 HB2 LEU 11 0.934 2.474 -8.627
224 HB3 LEU 11 HB3 LEU 11 -0.812 2.465 -8.833
225 HG LEU 11 HG LEU 11 -1.091 0.978 -6.924
226 HD11 LEU 11 HD11 LEU 11 0.789 0.354 -5.460
227 HD12 LEU 11 HD12 LEU 11 1.944 1.029 -6.630
228 HD13 LEU 11 HD13 LEU 11 0.969 -0.399 -7.043
229 HD21 LEU 11 HD21 LEU 11 0.795 3.314 -6.383
230 HD22 LEU 11 HD22 LEU 11 -0.236 2.534 -5.171
231 HD23 LEU 11 HD23 LEU 11 -0.965 3.399 -6.534
232 H VAL 12 H VAL 12 -2.199 0.916 -10.432
233 HA VAL 12 HA VAL 12 -3.578 -1.214 -9.103
234 HB VAL 12 HB VAL 12 -4.176 0.259 -11.687
235 HG11 VAL 12 HG11 VAL 12 -5.331 -1.862 -11.946
236 HG12 VAL 12 HG12 VAL 12 -5.933 -1.795 -10.275
237 HG13 VAL 12 HG13 VAL 12 -6.517 -0.642 -11.492
238 HG21 VAL 12 HG21 VAL 12 -5.887 1.381 -10.325
239 HG22 VAL 12 HG22 VAL 12 -5.465 0.383 -8.921
240 HG23 VAL 12 HG23 VAL 12 -4.303 1.561 -9.559
241 H GLU 13 H GLU 13 -2.074 -1.158 -12.376
242 HA GLU 13 HA GLU 13 -2.496 -3.846 -13.113
243 HB2 GLU 13 HB2 GLU 13 -1.750 -2.109 -14.631
244 HB3 GLU 13 HB3 GLU 13 -0.277 -1.866 -13.687
245 HG2 GLU 13 HG2 GLU 13 0.569 -4.060 -14.363
246 HG3 GLU 13 HG3 GLU 13 -0.934 -4.383 -15.241
247 H ALA 14 H ALA 14 0.323 -2.426 -11.313
248 HA ALA 14 HA ALA 14 1.699 -4.900 -10.957
249 HB1 ALA 14 HB1 ALA 14 1.717 -2.352 -9.271
250 HB2 ALA 14 HB2 ALA 14 2.915 -3.661 -9.179
251 HB3 ALA 14 HB3 ALA 14 2.771 -2.705 -10.664
252 H LEU 15 H LEU 15 -0.672 -3.243 -8.787
253 HA LEU 15 HA LEU 15 -0.658 -5.162 -6.691
254 HB2 LEU 15 HB2 LEU 15 -2.786 -3.298 -7.802
255 HB3 LEU 15 HB3 LEU 15 -3.079 -4.309 -6.391
256 HG LEU 15 HG LEU 15 -0.717 -2.415 -6.419
257 HD11 LEU 15 HD11 LEU 15 -3.597 -1.786 -5.641
258 HD12 LEU 15 HD12 LEU 15 -2.670 -1.026 -6.935
259 HD13 LEU 15 HD13 LEU 15 -2.190 -0.768 -5.249
260 HD21 LEU 15 HD21 LEU 15 -0.851 -4.160 -4.633
261 HD22 LEU 15 HD22 LEU 15 -2.447 -3.550 -4.168
262 HD23 LEU 15 HD23 LEU 15 -1.019 -2.524 -3.976
263 H TYR 16 H TYR 16 -2.641 -5.176 -9.721
264 HA TYR 16 HA TYR 16 -3.957 -7.677 -9.160
265 HB2 TYR 16 HB2 TYR 16 -3.392 -6.053 -11.641
266 HB3 TYR 16 HB3 TYR 16 -3.920 -7.712 -11.819
267 HD1 TYR 16 HD1 TYR 16 -6.013 -8.443 -10.348
268 HD2 TYR 16 HD2 TYR 16 -5.128 -4.433 -11.655
269 HE1 TYR 16 HE1 TYR 16 -8.430 -7.873 -10.242
270 HE2 TYR 16 HE2 TYR 16 -7.539 -3.849 -11.525
271 HH TYR 16 HH TYR 16 -10.035 -6.263 -10.596
272 H LEU 17 H LEU 17 -0.968 -7.047 -11.074
273 HA LEU 17 HA LEU 17 -0.516 -9.817 -11.700
274 HB2 LEU 17 HB2 LEU 17 1.289 -7.365 -11.732
275 HB3 LEU 17 HB3 LEU 17 1.787 -8.936 -12.347
276 HG LEU 17 HG LEU 17 -0.593 -7.367 -13.437
277 HD11 LEU 17 HD11 LEU 17 0.880 -6.827 -15.328
278 HD12 LEU 17 HD12 LEU 17 2.230 -7.684 -14.545
279 HD13 LEU 17 HD13 LEU 17 1.559 -6.208 -13.819
280 HD21 LEU 17 HD21 LEU 17 0.826 -9.858 -14.480
281 HD22 LEU 17 HD22 LEU 17 -0.415 -8.931 -15.358
282 HD23 LEU 17 HD23 LEU 17 -0.836 -9.769 -13.866
283 H VAL 18 H VAL 18 0.835 -7.794 -9.105
284 HA VAL 18 HA VAL 18 2.731 -9.770 -8.194
285 HB VAL 18 HB VAL 18 1.600 -7.256 -6.918
286 HG11 VAL 18 HG11 VAL 18 3.873 -8.986 -5.853
287 HG12 VAL 18 HG12 VAL 18 3.460 -7.345 -5.299
288 HG13 VAL 18 HG13 VAL 18 2.312 -8.657 -5.062
289 HG21 VAL 18 HG21 VAL 18 4.376 -7.857 -8.049
290 HG22 VAL 18 HG22 VAL 18 3.107 -7.058 -8.980
291 HG23 VAL 18 HG23 VAL 18 3.749 -6.278 -7.539
292 H CYS 19 HN CYS 19 -0.557 -8.835 -7.037
293 HA CYS 19 HA CYS 19 -0.350 -10.647 -4.758
294 HB2 CYS 19 HB2 CYS 19 -2.638 -8.932 -5.781
295 HB3 CYS 19 HB3 CYS 19 -2.539 -9.702 -4.201
296 H GLY 20 H GLY 20 -1.930 -10.872 -7.917
297 HA2 GLY 20 HA2 GLY 20 -3.076 -12.617 -8.931
298 HA3 GLY 20 HA3 GLY 20 -2.143 -13.659 -7.854
299 H GLU 21 H GLU 21 -3.314 -15.003 -6.749
300 HA GLU 21 HA GLU 21 -6.162 -14.946 -6.631
301 HB2 GLU 21 HB2 GLU 21 -5.924 -16.981 -5.280
302 HB3 GLU 21 HB3 GLU 21 -4.978 -17.019 -6.755
303 HG2 GLU 21 HG2 GLU 21 -3.557 -16.134 -4.242
304 HG3 GLU 21 HG3 GLU 21 -4.038 -17.821 -4.367
305 H ARG 22 H ARG 22 -3.917 -13.409 -4.485
306 HA ARG 22 HA ARG 22 -5.482 -13.401 -2.062
307 HB2 ARG 22 HB2 ARG 22 -3.545 -11.341 -3.183
308 HB3 ARG 22 HB3 ARG 22 -4.243 -11.267 -1.569
309 HG2 ARG 22 HG2 ARG 22 -3.206 -13.452 -1.002
310 HG3 ARG 22 HG3 ARG 22 -2.491 -13.541 -2.604
311 HD2 ARG 22 HD2 ARG 22 -0.817 -12.774 -1.004
312 HD3 ARG 22 HD3 ARG 22 -1.158 -11.525 -2.195
313 HE ARG 22 HE ARG 22 -1.711 -10.118 -0.468
314 HH11 ARG 22 HH21 ARG 22 -2.204 -13.375 0.847
315 HH12 ARG 22 HH22 ARG 22 -2.622 -12.750 2.414
316 HH21 ARG 22 HH11 ARG 22 -2.263 -9.411 1.475
317 HH22 ARG 22 HH12 ARG 22 -2.676 -10.512 2.775
318 H GLY 23 H GLY 23 -5.856 -11.659 -5.083
319 HA2 GLY 23 HA2 GLY 23 -7.579 -10.260 -5.827
320 HA3 GLY 23 HA3 GLY 23 -8.285 -10.220 -4.194
321 H PHE 24 H PHE 24 -7.262 -8.132 -6.325
322 HA PHE 24 HA PHE 24 -5.179 -6.735 -4.847
323 HB2 PHE 24 HB2 PHE 24 -4.799 -5.632 -6.716
324 HB3 PHE 24 HB3 PHE 24 -5.789 -6.833 -7.488
325 HD1 PHE 24 HD2 PHE 24 -8.470 -6.207 -7.405
326 HD2 PHE 24 HD1 PHE 24 -5.218 -3.382 -7.208
327 HE1 PHE 24 HE2 PHE 24 -10.000 -4.386 -8.115
328 HE2 PHE 24 HE1 PHE 24 -6.748 -1.576 -7.922
329 HZ PHE 24 HZ PHE 24 -9.142 -2.065 -8.372
330 H PHE 25 H PHE 25 -5.327 -4.433 -4.327
331 HA PHE 25 HA PHE 25 -7.911 -3.219 -3.889
332 HB2 PHE 25 HB2 PHE 25 -7.769 -4.613 -1.845
333 HB3 PHE 25 HB3 PHE 25 -6.198 -3.921 -1.480
334 HD1 PHE 25 HD2 PHE 25 -9.667 -2.691 -2.330
335 HD2 PHE 25 HD1 PHE 25 -6.205 -2.285 0.215
336 HE1 PHE 25 HE2 PHE 25 -10.795 -0.868 -1.072
337 HE2 PHE 25 HE1 PHE 25 -7.337 -0.474 1.467
338 HZ PHE 25 HZ PHE 25 -9.629 0.251 0.822
339 H TYR 26 H TYR 26 -7.776 -1.080 -4.026
340 HA TYR 26 HA TYR 26 -5.143 0.315 -3.909
341 HB2 TYR 26 HB2 TYR 26 -5.478 -0.263 -6.234
342 HB3 TYR 26 HB3 TYR 26 -7.157 0.238 -6.182
343 HD1 TYR 26 HD2 TYR 26 -7.804 2.603 -6.245
344 HD2 TYR 26 HD1 TYR 26 -3.666 1.410 -6.449
345 HE1 TYR 26 HE2 TYR 26 -7.178 4.898 -6.975
346 HE2 TYR 26 HE1 TYR 26 -3.050 3.690 -7.232
347 HH TYR 26 HH TYR 26 -3.794 5.814 -7.732
348 H THR 27 H THR 27 -5.196 2.445 -3.339
349 HA THR 27 HA THR 27 -7.756 3.847 -2.930
350 HB THR 27 HB THR 27 -6.910 4.707 -0.702
351 HG1 THR 27 HG1 THR 27 -5.461 3.035 0.262
352 HG21 THR 27 HG21 THR 27 -8.682 2.935 -0.879
353 HG22 THR 27 HG22 THR 27 -7.690 2.806 0.585
354 HG23 THR 27 HG23 THR 27 -7.413 1.701 -0.778
355 HA PRO 28 HA PRO 28 -5.220 6.954 -4.816
356 HB2 PRO 28 HB2 PRO 28 -6.954 9.016 -4.990
357 HB3 PRO 28 HB3 PRO 28 -7.292 7.451 -5.787
358 HG2 PRO 28 HG2 PRO 28 -8.285 8.388 -3.067
359 HG3 PRO 28 HG3 PRO 28 -9.262 7.767 -4.439
360 HD2 PRO 28 HD2 PRO 28 -8.414 6.146 -2.397
361 HD3 PRO 28 HD3 PRO 28 -8.521 5.564 -4.087
362 H LYS 29 H LYS 29 -4.771 9.445 -4.538
363 HA LYS 29 HA LYS 29 -3.651 9.978 -1.901
364 HB2 LYS 29 HB2 LYS 29 -2.648 10.384 -4.232
365 HB3 LYS 29 HB3 LYS 29 -3.718 11.779 -4.361
366 HG2 LYS 29 HG2 LYS 29 -2.598 12.809 -2.387
367 HG3 LYS 29 HG3 LYS 29 -1.679 11.325 -2.127
368 HD2 LYS 29 HD2 LYS 29 -0.265 12.989 -3.149
369 HD3 LYS 29 HD3 LYS 29 -0.516 11.657 -4.284
370 HE2 LYS 29 HE2 LYS 29 -2.238 12.987 -5.479
371 HE3 LYS 29 HE3 LYS 29 -2.048 14.303 -4.305
372 HZ1 LYS 29 HZ1 LYS 29 0.071 13.346 -6.153
373 HZ2 LYS 29 HZ2 LYS 29 0.252 14.555 -5.065
374 HZ3 LYS 29 HZ3 LYS 29 -0.779 14.728 -6.321
375 H THR 30 H THR 30 -6.381 9.757 -1.728
376 HA THR 30 HA THR 30 -8.300 10.656 -0.839
377 HB THR 30 HB THR 30 -6.723 13.143 -0.100
378 HG1 THR 30 HG1 THR 30 -6.921 10.687 1.331
379 HG21 THR 30 HG21 THR 30 -9.030 11.651 1.259
380 HG22 THR 30 HG22 THR 30 -9.151 13.224 0.459
381 HG23 THR 30 HG23 THR 30 -8.176 13.062 1.920
382 H LYS 31 H LYS 31 -8.302 10.688 -3.424
383 HA LYS 31 HA LYS 31 -8.583 13.202 -4.762
384 HB2 LYS 31 HB2 LYS 31 -8.025 11.016 -5.791
385 HB3 LYS 31 HB3 LYS 31 -9.663 10.436 -5.457
386 HG2 LYS 31 HG2 LYS 31 -10.594 12.130 -6.998
387 HG3 LYS 31 HG3 LYS 31 -8.988 12.853 -7.198
388 HD2 LYS 31 HD2 LYS 31 -9.509 11.519 -9.136
389 HD3 LYS 31 HD3 LYS 31 -8.188 10.748 -8.250
390 HE2 LYS 31 HE2 LYS 31 -9.791 9.141 -7.240
391 HE3 LYS 31 HE3 LYS 31 -11.134 9.951 -8.062
392 HZ1 LYS 31 HZ1 LYS 31 -10.130 9.314 -10.187
393 HZ2 LYS 31 HZ2 LYS 31 -10.411 7.987 -9.275
394 HZ3 LYS 31 HZ3 LYS 31 -8.889 8.567 -9.430
395 H ARG 32 H ARG 32 -10.856 11.373 -2.864
396 HA ARG 32 HA ARG 32 -12.923 13.455 -2.994
397 HB2 ARG 32 HB2 ARG 32 -13.423 12.005 -4.965
398 HB3 ARG 32 HB3 ARG 32 -13.524 10.600 -3.898
399 HG2 ARG 32 HG2 ARG 32 -15.440 11.645 -2.706
400 HG3 ARG 32 HG3 ARG 32 -15.304 13.082 -3.739
401 HD2 ARG 32 HD2 ARG 32 -15.775 11.691 -5.733
402 HD3 ARG 32 HD3 ARG 32 -15.883 10.249 -4.707
403 HE ARG 32 HE ARG 32 -17.690 12.250 -3.744
404 HH11 ARG 32 HH21 ARG 32 -17.430 10.020 -6.432
405 HH12 ARG 32 HH22 ARG 32 -19.158 9.932 -6.642
406 HH21 ARG 32 HH11 ARG 32 -19.874 12.091 -4.067
407 HH22 ARG 32 HH12 ARG 32 -20.500 11.081 -5.338
Start of MODEL 30
1 H1 GLY 1 1H GLY 1 -3.111 6.039 3.851
2 H2 GLY 1 2H GLY 1 -1.936 6.812 3.013
3 H3 GLY 1 3H GLY 1 -1.589 5.422 3.822
4 HA2 GLY 1 HA2 GLY 1 -3.087 4.179 2.369
5 HA3 GLY 1 HA3 GLY 1 -3.350 5.679 1.465
6 H ILE 2 H ILE 2 -2.148 3.054 0.634
7 HA ILE 2 HA ILE 2 0.611 2.988 0.629
8 HB ILE 2 HB ILE 2 -0.819 1.136 0.055
9 HG12 ILE 2 HG12 ILE 2 0.388 0.076 -1.786
10 HG13 ILE 2 HG13 ILE 2 1.127 1.619 -2.220
11 HG21 ILE 2 HG21 ILE 2 -2.527 2.238 -1.344
12 HG22 ILE 2 HG22 ILE 2 -1.355 2.382 -2.664
13 HG23 ILE 2 HG23 ILE 2 -1.872 0.788 -2.094
14 HD11 ILE 2 HD11 ILE 2 2.340 1.676 -0.081
15 HD12 ILE 2 HD12 ILE 2 1.465 0.230 0.484
16 HD13 ILE 2 HD13 ILE 2 2.599 0.105 -0.864
17 H VAL 3 H VAL 3 -1.272 4.790 -1.771
18 HA VAL 3 HA VAL 3 0.950 5.327 -3.468
19 HB VAL 3 HB VAL 3 -1.475 5.608 -4.057
20 HG11 VAL 3 HG11 VAL 3 -1.231 8.371 -2.808
21 HG12 VAL 3 HG12 VAL 3 -2.601 7.722 -3.727
22 HG13 VAL 3 HG13 VAL 3 -2.187 7.029 -2.147
23 HG21 VAL 3 HG21 VAL 3 0.442 6.358 -5.487
24 HG22 VAL 3 HG22 VAL 3 -1.068 7.230 -5.753
25 HG23 VAL 3 HG23 VAL 3 0.239 7.997 -4.825
26 H GLU 4 H GLU 4 0.118 6.756 -0.401
27 HA GLU 4 HA GLU 4 1.766 9.150 -0.735
28 HB2 GLU 4 HB2 GLU 4 0.641 7.874 1.792
29 HB3 GLU 4 HB3 GLU 4 1.317 9.489 1.655
30 HG2 GLU 4 HG2 GLU 4 -0.495 10.219 0.197
31 HG3 GLU 4 HG3 GLU 4 -1.172 8.590 0.141
32 H GLN 5 H GLN 5 2.586 5.938 -0.531
33 HA GLN 5 HA GLN 5 5.282 6.572 0.625
34 HB2 GLN 5 HB2 GLN 5 3.836 5.129 2.079
35 HB3 GLN 5 HB3 GLN 5 3.743 3.937 0.782
36 HG2 GLN 5 HG2 GLN 5 6.164 3.562 0.888
37 HG3 GLN 5 HG3 GLN 5 6.357 4.886 2.043
38 HE21 GLN 5 HE21 GLN 5 5.423 4.592 4.269
39 HE22 GLN 5 HE22 GLN 5 5.165 2.948 4.839
40 H CYS 6 HN CYS 6 3.508 4.379 -1.683
41 HA CYS 6 HA CYS 6 5.911 3.620 -3.095
42 HB2 CYS 6 HB2 CYS 6 2.938 3.421 -3.636
43 HB3 CYS 6 HB3 CYS 6 4.115 2.962 -4.861
44 H CYS 7 HN CYS 7 3.776 6.429 -3.581
45 HA CYS 7 HA CYS 7 4.914 6.919 -6.265
46 HB2 CYS 7 HB2 CYS 7 2.547 7.433 -5.548
47 HB3 CYS 7 HB3 CYS 7 3.193 8.773 -4.597
48 H THR 8 H THR 8 5.231 8.254 -2.998
49 HA THR 8 HA THR 8 7.051 10.411 -3.665
50 HB THR 8 HB THR 8 7.175 10.538 -1.120
51 HG1 THR 8 HG1 THR 8 5.506 9.239 -0.102
52 HG21 THR 8 HG21 THR 8 4.877 11.363 -0.862
53 HG22 THR 8 HG22 THR 8 4.362 10.505 -2.332
54 HG23 THR 8 HG23 THR 8 5.520 11.851 -2.444
55 H SER 9 H SER 9 7.449 7.116 -2.367
56 HA SER 9 HA SER 9 10.416 7.371 -2.701
57 HB2 SER 9 HB2 SER 9 8.869 6.050 -0.428
58 HB3 SER 9 HB3 SER 9 10.610 5.905 -0.685
59 HG SER 9 HG SER 9 10.058 7.560 0.853
60 H ILE 10 H ILE 10 11.467 5.142 -2.691
61 HA ILE 10 HA ILE 10 10.196 3.347 -4.610
62 HB ILE 10 HB ILE 10 12.757 3.232 -2.966
63 HG12 ILE 10 HG12 ILE 10 12.163 3.573 -5.944
64 HG13 ILE 10 HG13 ILE 10 12.663 4.845 -4.832
65 HG21 ILE 10 HG21 ILE 10 13.396 1.215 -4.241
66 HG22 ILE 10 HG22 ILE 10 12.000 0.913 -3.230
67 HG23 ILE 10 HG23 ILE 10 11.783 1.185 -4.976
68 HD11 ILE 10 HD11 ILE 10 14.558 4.256 -6.130
69 HD12 ILE 10 HD12 ILE 10 14.837 3.635 -4.490
70 HD13 ILE 10 HD13 ILE 10 14.356 2.528 -5.806
71 H CYS 11 HN CYS 11 9.038 1.517 -4.265
72 HA CYS 11 HA CYS 11 8.899 0.382 -1.520
73 HB2 CYS 11 HB2 CYS 11 6.557 0.255 -1.521
74 HB3 CYS 11 HB3 CYS 11 6.946 1.908 -1.945
75 H SER 12 H SER 12 7.993 -1.771 -1.422
76 HA SER 12 HA SER 12 8.628 -3.477 -3.819
77 HB2 SER 12 HB2 SER 12 10.452 -3.281 -2.012
78 HB3 SER 12 HB3 SER 12 9.336 -4.175 -0.963
79 HG SER 12 HG SER 12 10.804 -5.551 -2.144
80 H LEU 13 H LEU 13 7.995 -5.800 -3.335
81 HA LEU 13 HA LEU 13 5.188 -5.828 -3.634
82 HB2 LEU 13 HB2 LEU 13 7.062 -8.146 -2.994
83 HB3 LEU 13 HB3 LEU 13 5.430 -8.271 -3.634
84 HG LEU 13 HG LEU 13 6.702 -8.679 -5.473
85 HD11 LEU 13 HD11 LEU 13 5.076 -6.869 -5.951
86 HD12 LEU 13 HD12 LEU 13 6.461 -6.868 -7.056
87 HD13 LEU 13 HD13 LEU 13 6.366 -5.663 -5.755
88 HD21 LEU 13 HD21 LEU 13 8.919 -8.080 -4.475
89 HD22 LEU 13 HD22 LEU 13 8.634 -6.390 -4.947
90 HD23 LEU 13 HD23 LEU 13 8.724 -7.654 -6.183
91 H TYR 14 H TYR 14 7.086 -6.450 -0.700
92 HA TYR 14 HA TYR 14 4.984 -7.568 0.896
93 HB2 TYR 14 HB2 TYR 14 7.381 -7.672 1.451
94 HB3 TYR 14 HB3 TYR 14 7.434 -5.928 1.655
95 HD1 TYR 14 HD1 TYR 14 5.951 -9.068 3.024
96 HD2 TYR 14 HD2 TYR 14 6.801 -4.901 3.748
97 HE1 TYR 14 HE1 TYR 14 5.305 -9.354 5.406
98 HE2 TYR 14 HE2 TYR 14 6.156 -5.184 6.138
99 HH TYR 14 HH TYR 14 5.059 -8.338 7.452
100 H GLN 15 H GLN 15 5.742 -4.217 0.064
101 HA GLN 15 HA GLN 15 3.892 -3.019 2.038
102 HB2 GLN 15 HB2 GLN 15 5.431 -1.879 -0.337
103 HB3 GLN 15 HB3 GLN 15 4.446 -0.921 0.756
104 HG2 GLN 15 HG2 GLN 15 5.896 -1.247 2.596
105 HG3 GLN 15 HG3 GLN 15 6.686 -2.643 1.867
106 HE21 GLN 15 HE21 GLN 15 6.592 0.918 1.851
107 HE22 GLN 15 HE22 GLN 15 8.088 1.069 0.926
108 H LEU 16 H LEU 16 3.873 -3.961 -1.405
109 HA LEU 16 HA LEU 16 1.253 -2.884 -1.989
110 HB2 LEU 16 HB2 LEU 16 2.799 -5.159 -3.309
111 HB3 LEU 16 HB3 LEU 16 1.394 -4.352 -3.982
112 HG LEU 16 HG LEU 16 4.128 -3.099 -3.488
113 HD11 LEU 16 HD11 LEU 16 4.242 -3.019 -5.937
114 HD12 LEU 16 HD12 LEU 16 2.638 -3.778 -6.060
115 HD13 LEU 16 HD13 LEU 16 4.010 -4.678 -5.374
116 HD21 LEU 16 HD21 LEU 16 2.422 -1.357 -3.181
117 HD22 LEU 16 HD22 LEU 16 1.596 -1.861 -4.672
118 HD23 LEU 16 HD23 LEU 16 3.213 -1.137 -4.743
119 H GLU 17 H GLU 17 2.322 -6.233 -1.204
120 HA GLU 17 HA GLU 17 -0.298 -7.332 -1.158
121 HB2 GLU 17 HB2 GLU 17 2.332 -8.252 0.051
122 HB3 GLU 17 HB3 GLU 17 0.838 -9.146 0.269
123 HG2 GLU 17 HG2 GLU 17 0.794 -8.747 -2.466
124 HG3 GLU 17 HG3 GLU 17 2.521 -8.875 -2.163
125 H ASN 18 H ASN 18 1.307 -5.432 1.317
126 HA ASN 18 HA ASN 18 -0.298 -6.274 3.561
127 HB2 ASN 18 HB2 ASN 18 1.853 -5.131 3.798
128 HB3 ASN 18 HB3 ASN 18 1.211 -3.708 2.981
129 HD21 ASN 18 HD21 ASN 18 0.057 -2.171 4.214
130 HD22 ASN 18 HD22 ASN 18 -0.277 -2.402 5.920
131 H TYR 19 H TYR 19 -0.847 -3.918 0.946
132 HA TYR 19 HA TYR 19 -3.250 -2.787 2.268
133 HB2 TYR 19 HB2 TYR 19 -1.490 -2.053 -0.047
134 HB3 TYR 19 HB3 TYR 19 -3.178 -1.572 -0.136
135 HD1 TYR 19 HD2 TYR 19 -0.079 -1.248 1.918
136 HD2 TYR 19 HD1 TYR 19 -4.108 0.135 1.249
137 HE1 TYR 19 HE2 TYR 19 0.355 0.702 3.400
138 HE2 TYR 19 HE1 TYR 19 -3.699 2.068 2.755
139 HH TYR 19 HH TYR 19 -0.524 2.620 4.343
140 H CYS 20 HN CYS 20 -2.621 -5.352 0.076
141 HA CYS 20 HA CYS 20 -5.255 -5.409 -1.174
142 HB2 CYS 20 HB2 CYS 20 -3.036 -7.435 -0.846
143 HB3 CYS 20 HB3 CYS 20 -4.532 -7.785 -1.719
144 H ASN 21 H ASN 21 -6.791 -7.083 -0.884
145 HA ASN 21 HA ASN 21 -7.551 -7.556 1.938
146 HB2 ASN 21 HB2 ASN 21 -9.771 -7.964 0.904
147 HB3 ASN 21 HB3 ASN 21 -9.103 -6.432 0.381
148 HD21 ASN 21 HD21 ASN 21 -10.005 -9.650 -0.653
149 HD22 ASN 21 HD22 ASN 21 -9.617 -9.418 -2.352
150 H1 PHE 1 H1 PHE 1 15.347 -1.193 -8.622
151 H2 PHE 1 H2 PHE 1 16.712 -1.125 -7.705
152 H3 PHE 1 H3 PHE 1 15.275 -1.517 -7.015
153 HA PHE 1 HA PHE 1 16.729 -3.114 -9.016
154 HB2 PHE 1 HB2 PHE 1 16.205 -3.770 -6.087
155 HB3 PHE 1 HB3 PHE 1 17.094 -4.753 -7.257
156 HD1 PHE 1 HD1 PHE 1 19.233 -3.783 -8.319
157 HD2 PHE 1 HD2 PHE 1 17.355 -2.135 -4.795
158 HE1 PHE 1 HE1 PHE 1 21.350 -2.624 -7.729
159 HE2 PHE 1 HE2 PHE 1 19.477 -0.973 -4.214
160 HZ PHE 1 HZ PHE 1 21.473 -1.219 -5.680
161 H VAL 2 H VAL 2 14.896 -5.223 -7.159
162 HA VAL 2 HA VAL 2 12.730 -5.427 -9.094
163 HB VAL 2 HB VAL 2 12.962 -6.606 -6.298
164 HG11 VAL 2 HG11 VAL 2 11.046 -7.299 -8.574
165 HG12 VAL 2 HG12 VAL 2 11.236 -8.231 -7.074
166 HG13 VAL 2 HG13 VAL 2 10.614 -6.585 -7.003
167 HG21 VAL 2 HG21 VAL 2 13.547 -7.821 -9.041
168 HG22 VAL 2 HG22 VAL 2 14.753 -7.432 -7.802
169 HG23 VAL 2 HG23 VAL 2 13.567 -8.702 -7.495
170 H ASN 3 H ASN 3 13.172 -3.872 -5.938
171 HA ASN 3 HA ASN 3 10.543 -2.738 -5.650
172 HB2 ASN 3 HB2 ASN 3 11.602 -1.383 -3.920
173 HB3 ASN 3 HB3 ASN 3 12.029 -3.073 -3.756
174 HD21 ASN 3 HD21 ASN 3 13.545 -1.311 -2.361
175 HD22 ASN 3 HD22 ASN 3 15.119 -1.142 -3.119
176 H GLN 4 H GLN 4 9.880 -0.542 -6.000
177 HA GLN 4 HA GLN 4 11.407 1.214 -7.803
178 HB2 GLN 4 HB2 GLN 4 10.371 -0.831 -9.140
179 HB3 GLN 4 HB3 GLN 4 8.834 -0.041 -8.828
180 HG2 GLN 4 HG2 GLN 4 9.916 2.050 -9.991
181 HG3 GLN 4 HG3 GLN 4 11.185 0.932 -10.491
182 HE21 GLN 4 HE21 GLN 4 7.676 1.669 -10.706
183 HE22 GLN 4 HE22 GLN 4 7.421 0.726 -12.175
184 H HIS 5 H HIS 5 10.025 3.175 -8.436
185 HA HIS 5 HA HIS 5 8.039 3.936 -6.385
186 HB2 HIS 5 HB2 HIS 5 9.065 5.258 -8.935
187 HB3 HIS 5 HB3 HIS 5 7.702 5.881 -8.025
188 HD1 HIS 5 HD1 HIS 5 8.253 7.564 -6.136
189 HD2 HIS 5 HD2 HIS 5 11.523 5.304 -7.518
190 HE1 HIS 5 HE1 HIS 5 10.333 8.580 -5.079
191 H LEU 6 H LEU 6 5.818 3.947 -6.777
192 HA LEU 6 HA LEU 6 4.691 3.245 -9.425
193 HB2 LEU 6 HB2 LEU 6 4.268 1.702 -6.829
194 HB3 LEU 6 HB3 LEU 6 3.059 1.701 -8.104
195 HG LEU 6 HG LEU 6 5.904 0.721 -8.528
196 HD11 LEU 6 HD11 LEU 6 4.912 -1.553 -8.350
197 HD12 LEU 6 HD12 LEU 6 3.370 -0.822 -7.847
198 HD13 LEU 6 HD13 LEU 6 4.816 -0.647 -6.830
199 HD21 LEU 6 HD21 LEU 6 3.347 0.368 -10.167
200 HD22 LEU 6 HD22 LEU 6 4.917 -0.382 -10.522
201 HD23 LEU 6 HD23 LEU 6 4.743 1.371 -10.627
202 H CYS 7 HN CYS 7 2.780 4.342 -9.809
203 HA CYS 7 HA CYS 7 1.446 5.729 -7.547
204 HB2 CYS 7 HB2 CYS 7 3.428 7.048 -8.622
205 HB3 CYS 7 HB3 CYS 7 2.322 7.326 -9.958
206 H GLY 8 H GLY 8 -0.664 6.401 -7.930
207 HA2 GLY 8 HA2 GLY 8 -2.803 6.344 -8.826
208 HA3 GLY 8 HA3 GLY 8 -1.984 6.816 -10.304
209 H SER 9 H SER 9 -2.886 5.699 -11.891
210 HA SER 9 HA SER 9 -4.197 3.249 -11.761
211 HB2 SER 9 HB2 SER 9 -2.743 4.432 -14.157
212 HB3 SER 9 HB3 SER 9 -4.056 3.242 -14.204
213 HG SER 9 HG SER 9 -4.778 5.439 -14.540
214 H HIS 10 H HIS 10 -0.676 3.750 -12.411
215 HA HIS 10 HA HIS 10 -0.227 0.929 -13.010
216 HB2 HIS 10 HB2 HIS 10 1.607 3.274 -12.421
217 HB3 HIS 10 HB3 HIS 10 2.180 1.646 -12.744
218 HD1 HIS 10 HD1 HIS 10 0.667 0.680 -15.224
219 HD2 HIS 10 HD2 HIS 10 1.879 4.677 -14.610
220 HE1 HIS 10 HE1 HIS 10 0.790 1.767 -17.526
221 H LEU 11 H LEU 11 -0.181 2.850 -10.011
222 HA LEU 11 HA LEU 11 0.946 0.695 -8.406
223 HB2 LEU 11 HB2 LEU 11 1.026 3.019 -7.665
224 HB3 LEU 11 HB3 LEU 11 -0.734 3.134 -7.676
225 HG LEU 11 HG LEU 11 -0.882 1.551 -5.813
226 HD11 LEU 11 HD11 LEU 11 1.099 0.786 -4.590
227 HD12 LEU 11 HD12 LEU 11 2.171 1.527 -5.792
228 HD13 LEU 11 HD13 LEU 11 1.140 0.144 -6.235
229 HD21 LEU 11 HD21 LEU 11 1.099 3.836 -5.421
230 HD22 LEU 11 HD22 LEU 11 0.228 3.022 -4.114
231 HD23 LEU 11 HD23 LEU 11 -0.674 3.923 -5.351
232 H VAL 12 H VAL 12 -2.414 1.758 -9.102
233 HA VAL 12 HA VAL 12 -3.660 -0.371 -7.627
234 HB VAL 12 HB VAL 12 -4.687 1.303 -9.932
235 HG11 VAL 12 HG11 VAL 12 -6.035 -0.723 -9.979
236 HG12 VAL 12 HG12 VAL 12 -6.202 -0.707 -8.212
237 HG13 VAL 12 HG13 VAL 12 -6.981 0.541 -9.205
238 HG21 VAL 12 HG21 VAL 12 -5.200 1.356 -6.916
239 HG22 VAL 12 HG22 VAL 12 -4.238 2.536 -7.824
240 HG23 VAL 12 HG23 VAL 12 -5.976 2.423 -8.106
241 H GLU 13 H GLU 13 -2.735 -0.194 -11.097
242 HA GLU 13 HA GLU 13 -3.459 -2.795 -11.921
243 HB2 GLU 13 HB2 GLU 13 -2.727 -1.040 -13.433
244 HB3 GLU 13 HB3 GLU 13 -1.139 -0.984 -12.656
245 HG2 GLU 13 HG2 GLU 13 -0.595 -3.217 -13.513
246 HG3 GLU 13 HG3 GLU 13 -2.213 -3.345 -14.230
247 H ALA 14 H ALA 14 -0.314 -1.715 -10.435
248 HA ALA 14 HA ALA 14 0.854 -4.310 -10.349
249 HB1 ALA 14 HB1 ALA 14 2.137 -2.212 -10.113
250 HB2 ALA 14 HB2 ALA 14 1.325 -1.878 -8.568
251 HB3 ALA 14 HB3 ALA 14 2.403 -3.281 -8.717
252 H LEU 15 H LEU 15 -1.140 -2.594 -7.874
253 HA LEU 15 HA LEU 15 -1.012 -4.630 -5.884
254 HB2 LEU 15 HB2 LEU 15 -3.057 -2.481 -6.570
255 HB3 LEU 15 HB3 LEU 15 -3.269 -3.551 -5.189
256 HG LEU 15 HG LEU 15 -0.672 -2.023 -5.513
257 HD11 LEU 15 HD11 LEU 15 -1.481 -0.167 -4.230
258 HD12 LEU 15 HD12 LEU 15 -3.084 -0.883 -4.055
259 HD13 LEU 15 HD13 LEU 15 -2.530 -0.328 -5.644
260 HD21 LEU 15 HD21 LEU 15 -2.218 -2.973 -3.060
261 HD22 LEU 15 HD22 LEU 15 -0.617 -2.205 -3.066
262 HD23 LEU 15 HD23 LEU 15 -0.837 -3.804 -3.789
263 H TYR 16 H TYR 16 -3.322 -4.320 -8.643
264 HA TYR 16 HA TYR 16 -4.785 -6.725 -7.964
265 HB2 TYR 16 HB2 TYR 16 -4.482 -5.046 -10.454
266 HB3 TYR 16 HB3 TYR 16 -5.192 -6.639 -10.576
267 HD1 TYR 16 HD2 TYR 16 -7.112 -7.250 -8.894
268 HD2 TYR 16 HD1 TYR 16 -5.975 -3.241 -9.985
269 HE1 TYR 16 HE2 TYR 16 -9.365 -6.432 -8.227
270 HE2 TYR 16 HE1 TYR 16 -8.216 -2.417 -9.306
271 HH TYR 16 HH TYR 16 -10.729 -4.595 -7.966
272 H LEU 17 H LEU 17 -1.961 -6.220 -10.146
273 HA LEU 17 HA LEU 17 -1.853 -8.992 -10.963
274 HB2 LEU 17 HB2 LEU 17 -0.123 -6.540 -11.294
275 HB3 LEU 17 HB3 LEU 17 0.607 -8.107 -11.585
276 HG LEU 17 HG LEU 17 -1.007 -8.684 -13.279
277 HD11 LEU 17 HD11 LEU 17 -2.294 -5.944 -12.917
278 HD12 LEU 17 HD12 LEU 17 -3.044 -7.509 -12.517
279 HD13 LEU 17 HD13 LEU 17 -2.655 -7.119 -14.193
280 HD21 LEU 17 HD21 LEU 17 1.023 -7.422 -13.910
281 HD22 LEU 17 HD22 LEU 17 0.149 -5.893 -13.709
282 HD23 LEU 17 HD23 LEU 17 -0.321 -7.030 -14.989
283 H VAL 18 H VAL 18 -0.024 -7.206 -8.468
284 HA VAL 18 HA VAL 18 1.767 -9.368 -7.843
285 HB VAL 18 HB VAL 18 0.971 -6.867 -6.313
286 HG11 VAL 18 HG11 VAL 18 1.727 -8.463 -4.610
287 HG12 VAL 18 HG12 VAL 18 3.172 -8.842 -5.564
288 HG13 VAL 18 HG13 VAL 18 2.950 -7.223 -4.863
289 HG21 VAL 18 HG21 VAL 18 3.168 -6.062 -7.062
290 HG22 VAL 18 HG22 VAL 18 3.560 -7.647 -7.753
291 HG23 VAL 18 HG23 VAL 18 2.300 -6.647 -8.482
292 H CYS 19 HN CYS 19 -1.315 -8.288 -6.308
293 HA CYS 19 HA CYS 19 -1.201 -10.393 -4.298
294 HB2 CYS 19 HB2 CYS 19 -3.393 -8.442 -5.091
295 HB3 CYS 19 HB3 CYS 19 -3.368 -9.426 -3.624
296 H GLY 20 H GLY 20 -2.340 -10.335 -7.553
297 HA2 GLY 20 HA2 GLY 20 -3.179 -12.010 -8.897
298 HA3 GLY 20 HA3 GLY 20 -2.556 -13.116 -7.666
299 H GLU 21 H GLU 21 -3.991 -14.509 -6.990
300 HA GLU 21 HA GLU 21 -6.745 -14.493 -7.572
301 HB2 GLU 21 HB2 GLU 21 -5.250 -16.455 -7.156
302 HB3 GLU 21 HB3 GLU 21 -5.284 -16.079 -5.422
303 HG2 GLU 21 HG2 GLU 21 -7.704 -16.500 -5.351
304 HG3 GLU 21 HG3 GLU 21 -7.755 -16.689 -7.108
305 H ARG 22 H ARG 22 -5.083 -13.070 -4.804
306 HA ARG 22 HA ARG 22 -7.302 -12.819 -2.988
307 HB2 ARG 22 HB2 ARG 22 -4.912 -10.980 -3.420
308 HB3 ARG 22 HB3 ARG 22 -5.996 -10.947 -2.031
309 HG2 ARG 22 HG2 ARG 22 -5.235 -13.120 -1.269
310 HG3 ARG 22 HG3 ARG 22 -4.287 -13.370 -2.744
311 HD2 ARG 22 HD2 ARG 22 -2.802 -12.716 -0.933
312 HD3 ARG 22 HD3 ARG 22 -2.832 -11.459 -2.177
313 HE ARG 22 HE ARG 22 -4.796 -10.892 -0.134
314 HH11 ARG 22 HH21 ARG 22 -1.240 -10.582 -0.651
315 HH12 ARG 22 HH22 ARG 22 -1.220 -9.277 0.524
316 HH21 ARG 22 HH11 ARG 22 -4.558 -9.325 1.249
317 HH22 ARG 22 HH12 ARG 22 -2.988 -8.586 1.582
318 H GLY 23 H GLY 23 -6.385 -11.044 -5.904
319 HA2 GLY 23 HA2 GLY 23 -7.378 -9.275 -7.045
320 HA3 GLY 23 HA3 GLY 23 -8.735 -9.312 -5.898
321 H PHE 24 H PHE 24 -8.697 -7.039 -5.867
322 HA PHE 24 HA PHE 24 -7.055 -5.946 -3.715
323 HB2 PHE 24 HB2 PHE 24 -5.666 -5.408 -5.642
324 HB3 PHE 24 HB3 PHE 24 -7.054 -4.781 -6.515
325 HD1 PHE 24 HD2 PHE 24 -5.281 -4.202 -3.230
326 HD2 PHE 24 HD1 PHE 24 -7.291 -2.476 -6.637
327 HE1 PHE 24 HE2 PHE 24 -4.811 -1.925 -2.359
328 HE2 PHE 24 HE1 PHE 24 -6.814 -0.205 -5.762
329 HZ PHE 24 HZ PHE 24 -5.571 0.075 -3.635
330 H PHE 25 H PHE 25 -8.036 -4.177 -2.703
331 HA PHE 25 HA PHE 25 -10.720 -3.306 -3.455
332 HB2 PHE 25 HB2 PHE 25 -11.045 -5.649 -2.642
333 HB3 PHE 25 HB3 PHE 25 -10.391 -5.169 -1.087
334 HD1 PHE 25 HD1 PHE 25 -13.058 -4.173 -3.556
335 HD2 PHE 25 HD2 PHE 25 -11.930 -4.520 0.591
336 HE1 PHE 25 HE1 PHE 25 -15.354 -3.505 -2.878
337 HE2 PHE 25 HE2 PHE 25 -14.229 -3.853 1.265
338 HZ PHE 25 HZ PHE 25 -15.937 -3.339 -0.466
339 H TYR 26 H TYR 26 -9.071 -1.477 -3.285
340 HA TYR 26 HA TYR 26 -9.738 0.079 -0.923
341 HB2 TYR 26 HB2 TYR 26 -7.790 -1.017 -0.022
342 HB3 TYR 26 HB3 TYR 26 -6.868 -0.732 -1.476
343 HD1 TYR 26 HD1 TYR 26 -8.631 1.135 1.269
344 HD2 TYR 26 HD2 TYR 26 -5.409 1.116 -1.595
345 HE1 TYR 26 HE1 TYR 26 -7.804 3.295 2.183
346 HE2 TYR 26 HE2 TYR 26 -4.590 3.275 -0.699
347 HH TYR 26 HH TYR 26 -6.231 4.969 2.005
348 H THR 27 H THR 27 -9.299 2.349 -1.198
349 HA THR 27 HA THR 27 -8.889 3.230 -4.037
350 HB THR 27 HB THR 27 -10.402 5.135 -3.436
351 HG1 THR 27 HG1 THR 27 -10.332 4.837 -1.170
352 HG21 THR 27 HG21 THR 27 -12.444 3.864 -3.808
353 HG22 THR 27 HG22 THR 27 -11.669 2.357 -3.284
354 HG23 THR 27 HG23 THR 27 -11.148 3.158 -4.779
355 HA PRO 28 HA PRO 28 -5.475 5.333 -1.843
356 HB2 PRO 28 HB2 PRO 28 -4.571 5.661 -4.692
357 HB3 PRO 28 HB3 PRO 28 -3.632 5.170 -3.253
358 HG2 PRO 28 HG2 PRO 28 -4.398 3.338 -5.113
359 HG3 PRO 28 HG3 PRO 28 -4.464 2.953 -3.360
360 HD2 PRO 28 HD2 PRO 28 -6.724 3.852 -5.177
361 HD3 PRO 28 HD3 PRO 28 -6.689 2.527 -3.971
362 H LYS 29 H LYS 29 -4.504 7.570 -2.212
363 HA LYS 29 HA LYS 29 -6.522 9.543 -2.296
364 HB2 LYS 29 HB2 LYS 29 -3.516 9.856 -2.710
365 HB3 LYS 29 HB3 LYS 29 -4.621 11.148 -2.265
366 HG2 LYS 29 HG2 LYS 29 -3.940 8.729 -0.529
367 HG3 LYS 29 HG3 LYS 29 -3.323 10.370 -0.350
368 HD2 LYS 29 HD2 LYS 29 -5.680 11.176 0.023
369 HD3 LYS 29 HD3 LYS 29 -6.220 9.480 0.011
370 HE2 LYS 29 HE2 LYS 29 -4.664 8.988 1.893
371 HE3 LYS 29 HE3 LYS 29 -4.146 10.676 1.904
372 HZ1 LYS 29 HZ1 LYS 29 -6.909 9.739 2.461
373 HZ2 LYS 29 HZ2 LYS 29 -6.433 11.310 2.448
374 HZ3 LYS 29 HZ3 LYS 29 -5.840 10.282 3.576
375 H THR 30 H THR 30 -4.694 8.277 -4.961
376 HA THR 30 HA THR 30 -6.128 10.078 -6.857
377 HB THR 30 HB THR 30 -3.936 10.711 -7.171
378 HG1 THR 30 HG1 THR 30 -3.637 10.022 -9.280
379 HG21 THR 30 HG21 THR 30 -2.579 9.085 -6.059
380 HG22 THR 30 HG22 THR 30 -2.067 9.122 -7.743
381 HG23 THR 30 HG23 THR 30 -3.086 7.786 -7.158
382 H LYS 31 H LYS 31 -7.821 8.991 -7.258
383 HA LYS 31 HA LYS 31 -8.055 6.134 -7.224
384 HB2 LYS 31 HB2 LYS 31 -9.818 7.603 -6.460
385 HB3 LYS 31 HB3 LYS 31 -9.920 8.403 -8.024
386 HG2 LYS 31 HG2 LYS 31 -11.809 6.922 -7.646
387 HG3 LYS 31 HG3 LYS 31 -10.866 6.433 -9.051
388 HD2 LYS 31 HD2 LYS 31 -9.864 4.569 -7.780
389 HD3 LYS 31 HD3 LYS 31 -10.613 5.149 -6.291
390 HE2 LYS 31 HE2 LYS 31 -11.806 3.206 -7.253
391 HE3 LYS 31 HE3 LYS 31 -12.843 4.627 -7.104
392 HZ1 LYS 31 HZ1 LYS 31 -11.476 3.941 -9.651
393 HZ2 LYS 31 HZ2 LYS 31 -12.711 4.975 -9.438
394 HZ3 LYS 31 HZ3 LYS 31 -12.976 3.373 -9.273
395 H ARG 32 H ARG 32 -7.676 4.703 -8.762
396 HA ARG 32 HA ARG 32 -7.177 5.271 -11.570
397 HB2 ARG 32 HB2 ARG 32 -6.105 3.441 -10.344
398 HB3 ARG 32 HB3 ARG 32 -7.662 2.646 -10.088
399 HG2 ARG 32 HG2 ARG 32 -6.701 3.271 -12.897
400 HG3 ARG 32 HG3 ARG 32 -6.028 1.895 -12.032
401 HD2 ARG 32 HD2 ARG 32 -8.115 0.782 -11.848
402 HD3 ARG 32 HD3 ARG 32 -9.039 2.170 -12.380
403 HE ARG 32 HE ARG 32 -7.618 0.258 -14.048
404 HH11 ARG 32 HH11 ARG 32 -8.946 3.547 -14.054
405 HH12 ARG 32 HH12 ARG 32 -9.080 3.536 -15.796
406 HH21 ARG 32 HH21 ARG 32 -7.798 0.393 -16.248
407 HH22 ARG 32 HH22 ARG 32 -8.438 1.829 -16.993
Start of MODEL 31
1 H1 GLY 1 1H GLY 1 -4.046 7.264 2.177
2 H2 GLY 1 2H GLY 1 -2.526 6.742 1.841
3 H3 GLY 1 3H GLY 1 -3.570 5.756 2.646
4 HA2 GLY 1 HA2 GLY 1 -5.006 5.643 0.692
5 HA3 GLY 1 HA3 GLY 1 -3.830 6.660 -0.150
6 H ILE 2 H ILE 2 -2.070 5.806 -0.942
7 HA ILE 2 HA ILE 2 -0.382 3.863 -0.366
8 HB ILE 2 HB ILE 2 -1.954 2.037 -0.385
9 HG12 ILE 2 HG12 ILE 2 -0.925 0.458 -1.881
10 HG13 ILE 2 HG13 ILE 2 -0.187 1.740 -2.831
11 HG21 ILE 2 HG21 ILE 2 -3.149 1.261 -2.347
12 HG22 ILE 2 HG22 ILE 2 -3.640 2.919 -1.997
13 HG23 ILE 2 HG23 ILE 2 -2.505 2.590 -3.328
14 HD11 ILE 2 HD11 ILE 2 0.429 1.243 0.110
15 HD12 ILE 2 HD12 ILE 2 1.369 0.593 -1.247
16 HD13 ILE 2 HD13 ILE 2 1.285 2.343 -0.988
17 H VAL 3 H VAL 3 -2.216 5.032 -3.170
18 HA VAL 3 HA VAL 3 -0.090 4.864 -5.030
19 HB VAL 3 HB VAL 3 -2.463 5.250 -5.602
20 HG11 VAL 3 HG11 VAL 3 -1.962 8.197 -5.003
21 HG12 VAL 3 HG12 VAL 3 -3.430 7.473 -5.676
22 HG13 VAL 3 HG13 VAL 3 -2.958 7.109 -4.009
23 HG21 VAL 3 HG21 VAL 3 -0.585 7.251 -6.917
24 HG22 VAL 3 HG22 VAL 3 -0.652 5.506 -7.272
25 HG23 VAL 3 HG23 VAL 3 -2.054 6.535 -7.610
26 H GLU 4 H GLU 4 -0.725 7.394 -2.608
27 HA GLU 4 HA GLU 4 1.313 9.187 -3.582
28 HB2 GLU 4 HB2 GLU 4 0.835 10.490 -1.700
29 HB3 GLU 4 HB3 GLU 4 -0.697 9.825 -2.231
30 HG2 GLU 4 HG2 GLU 4 0.944 8.855 0.155
31 HG3 GLU 4 HG3 GLU 4 -0.427 9.941 0.232
32 H GLN 5 H GLN 5 1.512 6.245 -1.778
33 HA GLN 5 HA GLN 5 4.239 6.845 -0.730
34 HB2 GLN 5 HB2 GLN 5 2.755 5.658 0.785
35 HB3 GLN 5 HB3 GLN 5 2.335 4.485 -0.453
36 HG2 GLN 5 HG2 GLN 5 3.813 3.445 1.099
37 HG3 GLN 5 HG3 GLN 5 4.626 3.577 -0.445
38 HE21 GLN 5 HE21 GLN 5 6.329 3.047 1.460
39 HE22 GLN 5 HE22 GLN 5 7.193 4.484 2.014
40 H CYS 6 HN CYS 6 2.556 4.675 -3.077
41 HA CYS 6 HA CYS 6 5.070 3.575 -4.040
42 HB2 CYS 6 HB2 CYS 6 2.164 3.369 -4.852
43 HB3 CYS 6 HB3 CYS 6 3.433 2.683 -5.852
44 H CYS 7 HN CYS 7 3.076 6.258 -5.272
45 HA CYS 7 HA CYS 7 4.641 6.275 -7.795
46 HB2 CYS 7 HB2 CYS 7 2.180 6.557 -7.796
47 HB3 CYS 7 HB3 CYS 7 2.354 8.045 -6.881
48 H THR 8 H THR 8 3.839 8.769 -5.332
49 HA THR 8 HA THR 8 5.766 10.660 -6.252
50 HB THR 8 HB THR 8 4.520 10.512 -3.477
51 HG1 THR 8 HG1 THR 8 2.858 11.753 -4.479
52 HG21 THR 8 HG21 THR 8 5.446 12.864 -5.199
53 HG22 THR 8 HG22 THR 8 6.250 12.268 -3.735
54 HG23 THR 8 HG23 THR 8 4.637 12.987 -3.623
55 H SER 9 H SER 9 5.849 8.326 -3.564
56 HA SER 9 HA SER 9 8.826 8.649 -3.386
57 HB2 SER 9 HB2 SER 9 7.449 9.028 -1.297
58 HB3 SER 9 HB3 SER 9 7.008 7.318 -1.357
59 HG SER 9 HG SER 9 8.891 7.828 -0.027
60 H ILE 10 H ILE 10 9.266 6.123 -2.233
61 HA ILE 10 HA ILE 10 8.912 4.292 -4.604
62 HB ILE 10 HB ILE 10 11.194 4.616 -2.607
63 HG12 ILE 10 HG12 ILE 10 11.079 4.895 -5.647
64 HG13 ILE 10 HG13 ILE 10 11.109 6.238 -4.508
65 HG21 ILE 10 HG21 ILE 10 12.346 2.759 -3.714
66 HG22 ILE 10 HG22 ILE 10 10.828 2.195 -3.030
67 HG23 ILE 10 HG23 ILE 10 10.950 2.502 -4.778
68 HD11 ILE 10 HD11 ILE 10 13.358 4.272 -5.038
69 HD12 ILE 10 HD12 ILE 10 13.308 6.007 -5.370
70 HD13 ILE 10 HD13 ILE 10 13.357 5.440 -3.690
71 H CYS 11 HN CYS 11 8.118 2.250 -4.269
72 HA CYS 11 HA CYS 11 7.765 1.318 -1.470
73 HB2 CYS 11 HB2 CYS 11 5.535 0.712 -1.704
74 HB3 CYS 11 HB3 CYS 11 5.644 2.342 -2.331
75 H SER 12 H SER 12 7.071 -1.055 -1.432
76 HA SER 12 HA SER 12 8.811 -2.640 -3.286
77 HB2 SER 12 HB2 SER 12 9.314 -4.013 -1.324
78 HB3 SER 12 HB3 SER 12 9.778 -2.340 -1.035
79 HG SER 12 HG SER 12 8.626 -3.326 0.742
80 H LEU 13 H LEU 13 8.298 -4.981 -3.324
81 HA LEU 13 HA LEU 13 5.528 -5.505 -3.888
82 HB2 LEU 13 HB2 LEU 13 7.787 -7.448 -3.280
83 HB3 LEU 13 HB3 LEU 13 6.238 -7.844 -4.032
84 HG LEU 13 HG LEU 13 8.496 -6.192 -5.219
85 HD11 LEU 13 HD11 LEU 13 7.210 -8.820 -6.077
86 HD12 LEU 13 HD12 LEU 13 8.762 -8.660 -5.234
87 HD13 LEU 13 HD13 LEU 13 8.578 -8.011 -6.873
88 HD21 LEU 13 HD21 LEU 13 7.145 -6.053 -7.295
89 HD22 LEU 13 HD22 LEU 13 6.416 -5.139 -5.976
90 HD23 LEU 13 HD23 LEU 13 5.755 -6.728 -6.430
91 H TYR 14 H TYR 14 7.419 -5.866 -0.889
92 HA TYR 14 HA TYR 14 5.388 -7.269 0.599
93 HB2 TYR 14 HB2 TYR 14 7.722 -7.110 1.316
94 HB3 TYR 14 HB3 TYR 14 7.587 -5.359 1.475
95 HD1 TYR 14 HD2 TYR 14 6.227 -8.600 2.802
96 HD2 TYR 14 HD1 TYR 14 6.816 -4.382 3.510
97 HE1 TYR 14 HE2 TYR 14 5.439 -8.883 5.145
98 HE2 TYR 14 HE1 TYR 14 6.033 -4.664 5.851
99 HH TYR 14 HH TYR 14 5.262 -6.127 7.439
100 H GLN 15 H GLN 15 5.879 -3.808 -0.077
101 HA GLN 15 HA GLN 15 3.650 -2.925 1.620
102 HB2 GLN 15 HB2 GLN 15 5.289 -1.580 -0.555
103 HB3 GLN 15 HB3 GLN 15 3.923 -0.789 0.229
104 HG2 GLN 15 HG2 GLN 15 4.953 -0.902 2.400
105 HG3 GLN 15 HG3 GLN 15 6.241 -1.958 1.820
106 HE21 GLN 15 HE21 GLN 15 8.042 -1.057 0.732
107 HE22 GLN 15 HE22 GLN 15 8.286 0.690 0.695
108 H LEU 16 H LEU 16 3.921 -4.109 -1.739
109 HA LEU 16 HA LEU 16 1.123 -3.480 -2.340
110 HB2 LEU 16 HB2 LEU 16 3.042 -5.463 -3.620
111 HB3 LEU 16 HB3 LEU 16 1.460 -5.042 -4.241
112 HG LEU 16 HG LEU 16 3.889 -3.214 -4.028
113 HD11 LEU 16 HD11 LEU 16 2.385 -4.338 -6.423
114 HD12 LEU 16 HD12 LEU 16 3.998 -4.826 -5.860
115 HD13 LEU 16 HD13 LEU 16 3.747 -3.201 -6.491
116 HD21 LEU 16 HD21 LEU 16 2.579 -1.508 -5.201
117 HD22 LEU 16 HD22 LEU 16 1.877 -1.843 -3.623
118 HD23 LEU 16 HD23 LEU 16 1.119 -2.521 -5.093
119 H GLU 17 H GLU 17 2.779 -6.465 -1.217
120 HA GLU 17 HA GLU 17 0.516 -8.122 -1.013
121 HB2 GLU 17 HB2 GLU 17 3.006 -7.971 0.728
122 HB3 GLU 17 HB3 GLU 17 1.749 -9.177 0.966
123 HG2 GLU 17 HG2 GLU 17 2.034 -9.970 -1.368
124 HG3 GLU 17 HG3 GLU 17 3.385 -8.845 -1.575
125 H ASN 18 H ASN 18 1.526 -5.563 1.282
126 HA ASN 18 HA ASN 18 -0.258 -6.136 3.385
127 HB2 ASN 18 HB2 ASN 18 1.631 -4.545 3.446
128 HB3 ASN 18 HB3 ASN 18 0.736 -3.456 2.379
129 HD21 ASN 18 HD21 ASN 18 -0.893 -2.106 3.291
130 HD22 ASN 18 HD22 ASN 18 -1.232 -2.101 5.010
131 H TYR 19 H TYR 19 -0.980 -4.707 0.242
132 HA TYR 19 HA TYR 19 -3.732 -3.915 1.074
133 HB2 TYR 19 HB2 TYR 19 -1.938 -3.163 -1.241
134 HB3 TYR 19 HB3 TYR 19 -3.666 -2.844 -1.259
135 HD1 TYR 19 HD1 TYR 19 -0.546 -2.167 0.669
136 HD2 TYR 19 HD2 TYR 19 -4.623 -1.007 -0.051
137 HE1 TYR 19 HE1 TYR 19 -0.226 -0.173 2.132
138 HE2 TYR 19 HE2 TYR 19 -4.310 1.000 1.386
139 HH TYR 19 HH TYR 19 -2.832 2.224 2.651
140 H CYS 20 HN CYS 20 -2.343 -6.690 -0.008
141 HA CYS 20 HA CYS 20 -4.465 -7.558 -1.861
142 HB2 CYS 20 HB2 CYS 20 -2.108 -8.387 -1.931
143 HB3 CYS 20 HB3 CYS 20 -2.366 -9.141 -0.357
144 H ASN 21 H ASN 21 -5.613 -9.618 -1.281
145 HA ASN 21 HA ASN 21 -6.824 -9.531 1.462
146 HB2 ASN 21 HB2 ASN 21 -8.171 -9.923 -1.253
147 HB3 ASN 21 HB3 ASN 21 -8.939 -10.347 0.269
148 HD21 ASN 21 HD21 ASN 21 -9.158 -8.586 1.927
149 HD22 ASN 21 HD22 ASN 21 -9.492 -6.975 1.301
150 H1 PHE 1 H1 PHE 1 17.211 -5.807 -2.352
151 H2 PHE 1 H2 PHE 1 17.171 -5.499 -0.751
152 H3 PHE 1 H3 PHE 1 16.510 -4.430 -1.805
153 HA PHE 1 HA PHE 1 15.586 -7.189 -1.315
154 HB2 PHE 1 HB2 PHE 1 15.081 -5.806 0.611
155 HB3 PHE 1 HB3 PHE 1 14.364 -4.571 -0.405
156 HD1 PHE 1 HD1 PHE 1 14.002 -8.338 -0.110
157 HD2 PHE 1 HD2 PHE 1 12.020 -4.494 -0.093
158 HE1 PHE 1 HE1 PHE 1 11.818 -9.464 0.165
159 HE2 PHE 1 HE2 PHE 1 9.843 -5.639 0.199
160 HZ PHE 1 HZ PHE 1 9.724 -8.116 0.296
161 H VAL 2 H VAL 2 13.415 -4.591 -2.338
162 HA VAL 2 HA VAL 2 13.615 -4.826 -5.120
163 HB VAL 2 HB VAL 2 12.862 -7.091 -5.050
164 HG11 VAL 2 HG11 VAL 2 10.800 -7.901 -4.135
165 HG12 VAL 2 HG12 VAL 2 11.715 -7.145 -2.834
166 HG13 VAL 2 HG13 VAL 2 10.330 -6.306 -3.554
167 HG21 VAL 2 HG21 VAL 2 10.928 -6.987 -6.499
168 HG22 VAL 2 HG22 VAL 2 10.557 -5.334 -5.970
169 HG23 VAL 2 HG23 VAL 2 12.050 -5.671 -6.871
170 H ASN 3 H ASN 3 13.223 -2.763 -5.355
171 HA ASN 3 HA ASN 3 10.817 -1.482 -4.152
172 HB2 ASN 3 HB2 ASN 3 13.731 -0.675 -3.778
173 HB3 ASN 3 HB3 ASN 3 12.370 0.337 -3.347
174 HD21 ASN 3 HD21 ASN 3 11.461 0.099 -1.306
175 HD22 ASN 3 HD22 ASN 3 11.925 -1.184 -0.203
176 H GLN 4 H GLN 4 9.919 0.115 -5.437
177 HA GLN 4 HA GLN 4 11.410 1.538 -7.508
178 HB2 GLN 4 HB2 GLN 4 9.911 -0.938 -8.144
179 HB3 GLN 4 HB3 GLN 4 9.329 0.425 -9.059
180 HG2 GLN 4 HG2 GLN 4 12.223 -0.532 -9.017
181 HG3 GLN 4 HG3 GLN 4 11.039 -0.846 -10.267
182 HE21 GLN 4 HE21 GLN 4 13.127 0.189 -11.403
183 HE22 GLN 4 HE22 GLN 4 12.960 1.918 -11.675
184 H HIS 5 H HIS 5 9.906 2.851 -8.893
185 HA HIS 5 HA HIS 5 7.702 4.088 -7.305
186 HB2 HIS 5 HB2 HIS 5 9.046 4.837 -9.942
187 HB3 HIS 5 HB3 HIS 5 7.627 5.646 -9.297
188 HD1 HIS 5 HD1 HIS 5 7.989 7.303 -7.212
189 HD2 HIS 5 HD2 HIS 5 11.431 5.483 -8.830
190 HE1 HIS 5 HE1 HIS 5 9.986 8.629 -6.343
191 H LEU 6 H LEU 6 5.593 3.699 -7.803
192 HA LEU 6 HA LEU 6 4.791 2.439 -10.383
193 HB2 LEU 6 HB2 LEU 6 4.134 1.483 -7.569
194 HB3 LEU 6 HB3 LEU 6 3.213 0.994 -8.987
195 HG LEU 6 HG LEU 6 6.190 0.433 -8.644
196 HD11 LEU 6 HD11 LEU 6 5.465 -1.872 -8.100
197 HD12 LEU 6 HD12 LEU 6 3.770 -1.330 -8.107
198 HD13 LEU 6 HD13 LEU 6 4.895 -0.695 -6.897
199 HD21 LEU 6 HD21 LEU 6 5.441 0.406 -11.012
200 HD22 LEU 6 HD22 LEU 6 4.097 -0.665 -10.589
201 HD23 LEU 6 HD23 LEU 6 5.773 -1.236 -10.455
202 H CYS 7 HN CYS 7 3.327 3.742 -11.279
203 HA CYS 7 HA CYS 7 1.529 5.419 -9.573
204 HB2 CYS 7 HB2 CYS 7 2.837 5.903 -12.275
205 HB3 CYS 7 HB3 CYS 7 1.707 6.995 -11.506
206 H GLY 8 H GLY 8 -0.614 5.216 -9.876
207 HA2 GLY 8 HA2 GLY 8 -2.683 4.772 -10.809
208 HA3 GLY 8 HA3 GLY 8 -1.917 5.265 -12.318
209 H SER 9 H SER 9 -2.298 3.880 -13.899
210 HA SER 9 HA SER 9 -3.249 1.259 -13.752
211 HB2 SER 9 HB2 SER 9 -1.484 2.443 -15.927
212 HB3 SER 9 HB3 SER 9 -2.606 1.081 -16.089
213 HG SER 9 HG SER 9 -3.537 3.052 -16.844
214 H HIS 10 H HIS 10 0.178 2.322 -13.627
215 HA HIS 10 HA HIS 10 1.293 -0.331 -13.992
216 HB2 HIS 10 HB2 HIS 10 2.562 2.077 -12.635
217 HB3 HIS 10 HB3 HIS 10 3.362 0.721 -13.407
218 HD1 HIS 10 HD1 HIS 10 1.790 4.059 -14.218
219 HD2 HIS 10 HD2 HIS 10 3.350 0.678 -16.173
220 HE1 HIS 10 HE1 HIS 10 2.143 4.742 -16.659
221 H LEU 11 H LEU 11 0.455 1.663 -11.141
222 HA LEU 11 HA LEU 11 1.332 -0.243 -9.152
223 HB2 LEU 11 HB2 LEU 11 0.960 2.148 -8.646
224 HB3 LEU 11 HB3 LEU 11 -0.743 2.003 -9.055
225 HG LEU 11 HG LEU 11 -1.101 0.459 -7.128
226 HD11 LEU 11 HD11 LEU 11 0.701 0.266 -5.416
227 HD12 LEU 11 HD12 LEU 11 1.848 0.975 -6.570
228 HD13 LEU 11 HD13 LEU 11 1.083 -0.587 -6.916
229 HD21 LEU 11 HD21 LEU 11 -0.819 2.175 -5.374
230 HD22 LEU 11 HD22 LEU 11 -1.402 2.903 -6.878
231 HD23 LEU 11 HD23 LEU 11 0.303 3.075 -6.423
232 H VAL 12 H VAL 12 -1.807 0.371 -10.705
233 HA VAL 12 HA VAL 12 -3.297 -1.651 -9.354
234 HB VAL 12 HB VAL 12 -3.631 -0.315 -12.052
235 HG11 VAL 12 HG11 VAL 12 -5.951 -1.239 -12.149
236 HG12 VAL 12 HG12 VAL 12 -4.706 -2.469 -12.388
237 HG13 VAL 12 HG13 VAL 12 -5.536 -2.342 -10.820
238 HG21 VAL 12 HG21 VAL 12 -5.247 -0.140 -9.471
239 HG22 VAL 12 HG22 VAL 12 -4.035 1.040 -9.989
240 HG23 VAL 12 HG23 VAL 12 -5.510 0.814 -10.940
241 H GLU 13 H GLU 13 -1.474 -1.866 -12.480
242 HA GLU 13 HA GLU 13 -1.990 -4.634 -12.914
243 HB2 GLU 13 HB2 GLU 13 -1.182 -3.049 -14.619
244 HB3 GLU 13 HB3 GLU 13 0.380 -2.929 -13.794
245 HG2 GLU 13 HG2 GLU 13 0.810 -5.318 -14.218
246 HG3 GLU 13 HG3 GLU 13 -0.806 -5.515 -14.903
247 H ALA 14 H ALA 14 0.782 -3.016 -11.218
248 HA ALA 14 HA ALA 14 2.187 -5.453 -10.647
249 HB1 ALA 14 HB1 ALA 14 3.430 -4.044 -9.039
250 HB2 ALA 14 HB2 ALA 14 3.211 -3.206 -10.585
251 HB3 ALA 14 HB3 ALA 14 2.194 -2.768 -9.191
252 H LEU 15 H LEU 15 -0.241 -3.631 -8.744
253 HA LEU 15 HA LEU 15 -0.145 -5.330 -6.447
254 HB2 LEU 15 HB2 LEU 15 -0.938 -2.974 -6.577
255 HB3 LEU 15 HB3 LEU 15 -2.355 -3.501 -7.485
256 HG LEU 15 HG LEU 15 -3.147 -4.759 -5.544
257 HD11 LEU 15 HD11 LEU 15 -1.079 -5.425 -4.437
258 HD12 LEU 15 HD12 LEU 15 -2.119 -4.536 -3.329
259 HD13 LEU 15 HD13 LEU 15 -0.719 -3.722 -4.052
260 HD21 LEU 15 HD21 LEU 15 -3.698 -2.817 -4.118
261 HD22 LEU 15 HD22 LEU 15 -3.723 -2.337 -5.823
262 HD23 LEU 15 HD23 LEU 15 -2.337 -1.908 -4.806
263 H TYR 16 H TYR 16 -2.178 -5.506 -9.428
264 HA TYR 16 HA TYR 16 -3.603 -7.889 -8.602
265 HB2 TYR 16 HB2 TYR 16 -2.963 -6.637 -11.295
266 HB3 TYR 16 HB3 TYR 16 -3.700 -8.222 -11.196
267 HD1 TYR 16 HD2 TYR 16 -5.731 -8.142 -9.175
268 HD2 TYR 16 HD1 TYR 16 -4.598 -5.139 -12.058
269 HE1 TYR 16 HE2 TYR 16 -8.020 -7.180 -9.074
270 HE2 TYR 16 HE1 TYR 16 -6.896 -4.205 -11.987
271 HH TYR 16 HH TYR 16 -8.988 -4.332 -11.032
272 H LEU 17 H LEU 17 -0.497 -7.471 -10.410
273 HA LEU 17 HA LEU 17 -0.042 -10.281 -10.768
274 HB2 LEU 17 HB2 LEU 17 1.837 -7.890 -10.633
275 HB3 LEU 17 HB3 LEU 17 2.406 -9.512 -10.969
276 HG LEU 17 HG LEU 17 0.282 -8.157 -12.685
277 HD11 LEU 17 HD11 LEU 17 3.301 -8.315 -13.125
278 HD12 LEU 17 HD12 LEU 17 2.376 -6.842 -12.729
279 HD13 LEU 17 HD13 LEU 17 2.104 -7.667 -14.274
280 HD21 LEU 17 HD21 LEU 17 2.074 -10.579 -13.165
281 HD22 LEU 17 HD22 LEU 17 0.976 -9.857 -14.361
282 HD23 LEU 17 HD23 LEU 17 0.318 -10.612 -12.910
283 H VAL 18 H VAL 18 0.939 -8.146 -8.075
284 HA VAL 18 HA VAL 18 2.241 -10.221 -6.569
285 HB VAL 18 HB VAL 18 1.066 -7.533 -5.797
286 HG11 VAL 18 HG11 VAL 18 0.846 -8.847 -3.740
287 HG12 VAL 18 HG12 VAL 18 2.498 -9.488 -3.938
288 HG13 VAL 18 HG13 VAL 18 2.229 -7.768 -3.593
289 HG21 VAL 18 HG21 VAL 18 3.182 -7.559 -7.112
290 HG22 VAL 18 HG22 VAL 18 3.473 -7.005 -5.456
291 HG23 VAL 18 HG23 VAL 18 3.918 -8.652 -5.926
292 H CYS 19 HN CYS 19 -1.180 -9.035 -6.438
293 HA CYS 19 HA CYS 19 -1.766 -10.815 -4.208
294 HB2 CYS 19 HB2 CYS 19 -2.625 -8.478 -4.565
295 HB3 CYS 19 HB3 CYS 19 -3.627 -9.091 -5.876
296 H GLY 20 H GLY 20 -2.129 -11.080 -7.659
297 HA2 GLY 20 HA2 GLY 20 -2.763 -12.913 -8.961
298 HA3 GLY 20 HA3 GLY 20 -3.206 -13.810 -7.494
299 H GLU 21 H GLU 21 -5.055 -14.498 -8.605
300 HA GLU 21 HA GLU 21 -7.010 -12.760 -9.766
301 HB2 GLU 21 HB2 GLU 21 -8.333 -14.750 -10.074
302 HB3 GLU 21 HB3 GLU 21 -6.644 -15.105 -10.432
303 HG2 GLU 21 HG2 GLU 21 -6.402 -16.147 -8.159
304 HG3 GLU 21 HG3 GLU 21 -8.113 -15.841 -7.853
305 H ARG 22 H ARG 22 -6.447 -13.338 -6.468
306 HA ARG 22 HA ARG 22 -9.090 -13.473 -5.429
307 HB2 ARG 22 HB2 ARG 22 -6.564 -12.449 -4.078
308 HB3 ARG 22 HB3 ARG 22 -8.056 -12.971 -3.284
309 HG2 ARG 22 HG2 ARG 22 -7.650 -15.249 -4.513
310 HG3 ARG 22 HG3 ARG 22 -5.999 -14.651 -4.752
311 HD2 ARG 22 HD2 ARG 22 -7.444 -15.061 -2.103
312 HD3 ARG 22 HD3 ARG 22 -6.178 -16.090 -2.761
313 HE ARG 22 HE ARG 22 -5.885 -13.385 -1.543
314 HH11 ARG 22 HH21 ARG 22 -4.087 -16.031 -3.102
315 HH12 ARG 22 HH22 ARG 22 -2.601 -15.518 -2.353
316 HH21 ARG 22 HH11 ARG 22 -4.114 -12.827 -0.700
317 HH22 ARG 22 HH12 ARG 22 -2.588 -13.666 -0.981
318 H GLY 23 H GLY 23 -7.234 -10.712 -6.496
319 HA2 GLY 23 HA2 GLY 23 -7.906 -8.492 -6.810
320 HA3 GLY 23 HA3 GLY 23 -9.429 -8.811 -5.948
321 H PHE 24 H PHE 24 -7.786 -6.531 -5.642
322 HA PHE 24 HA PHE 24 -6.693 -6.766 -2.866
323 HB2 PHE 24 HB2 PHE 24 -5.247 -4.877 -3.513
324 HB3 PHE 24 HB3 PHE 24 -4.986 -6.284 -4.514
325 HD1 PHE 24 HD2 PHE 24 -6.767 -2.969 -4.443
326 HD2 PHE 24 HD1 PHE 24 -5.015 -6.058 -6.893
327 HE1 PHE 24 HE2 PHE 24 -7.016 -1.524 -6.440
328 HE2 PHE 24 HE1 PHE 24 -5.180 -4.560 -8.859
329 HZ PHE 24 HZ PHE 24 -6.208 -2.313 -8.648
330 H PHE 25 H PHE 25 -6.703 -4.629 -1.685
331 HA PHE 25 HA PHE 25 -9.156 -3.008 -2.221
332 HB2 PHE 25 HB2 PHE 25 -9.321 -2.482 0.077
333 HB3 PHE 25 HB3 PHE 25 -9.289 -4.221 -0.088
334 HD1 PHE 25 HD2 PHE 25 -7.445 -1.246 1.119
335 HD2 PHE 25 HD1 PHE 25 -7.432 -5.548 0.846
336 HE1 PHE 25 HE2 PHE 25 -5.699 -1.355 2.877
337 HE2 PHE 25 HE1 PHE 25 -5.708 -5.651 2.623
338 HZ PHE 25 HZ PHE 25 -4.843 -3.562 3.649
339 H TYR 26 H TYR 26 -8.939 -0.711 -1.979
340 HA TYR 26 HA TYR 26 -6.229 0.457 -2.064
341 HB2 TYR 26 HB2 TYR 26 -6.395 -0.463 -4.280
342 HB3 TYR 26 HB3 TYR 26 -8.031 0.143 -4.491
343 HD1 TYR 26 HD1 TYR 26 -8.464 2.500 -5.021
344 HD2 TYR 26 HD2 TYR 26 -4.446 1.013 -4.550
345 HE1 TYR 26 HE1 TYR 26 -7.585 4.561 -6.084
346 HE2 TYR 26 HE2 TYR 26 -3.557 3.082 -5.633
347 HH TYR 26 HH TYR 26 -5.718 5.683 -6.833
348 H THR 27 H THR 27 -6.137 2.608 -1.828
349 HA THR 27 HA THR 27 -8.554 4.314 -1.916
350 HB THR 27 HB THR 27 -6.634 4.261 0.444
351 HG1 THR 27 HG1 THR 27 -8.448 3.482 1.553
352 HG21 THR 27 HG21 THR 27 -7.560 6.536 0.024
353 HG22 THR 27 HG22 THR 27 -8.253 5.829 1.483
354 HG23 THR 27 HG23 THR 27 -9.205 5.859 -0.015
355 HA PRO 28 HA PRO 28 -5.266 6.653 -3.954
356 HB2 PRO 28 HB2 PRO 28 -6.605 8.882 -4.737
357 HB3 PRO 28 HB3 PRO 28 -6.935 7.274 -5.429
358 HG2 PRO 28 HG2 PRO 28 -8.427 8.657 -3.180
359 HG3 PRO 28 HG3 PRO 28 -9.119 7.913 -4.660
360 HD2 PRO 28 HD2 PRO 28 -8.986 6.580 -2.281
361 HD3 PRO 28 HD3 PRO 28 -8.765 5.738 -3.846
362 H LYS 29 H LYS 29 -4.719 9.311 -3.854
363 HA LYS 29 HA LYS 29 -3.294 9.610 -1.475
364 HB2 LYS 29 HB2 LYS 29 -2.858 10.690 -3.671
365 HB3 LYS 29 HB3 LYS 29 -4.256 11.753 -3.427
366 HG2 LYS 29 HG2 LYS 29 -3.171 12.909 -1.607
367 HG3 LYS 29 HG3 LYS 29 -1.935 11.663 -1.461
368 HD2 LYS 29 HD2 LYS 29 -0.950 13.607 -2.520
369 HD3 LYS 29 HD3 LYS 29 -1.003 12.264 -3.653
370 HE2 LYS 29 HE2 LYS 29 -1.609 14.178 -4.902
371 HE3 LYS 29 HE3 LYS 29 -3.100 13.267 -4.666
372 HZ1 LYS 29 HZ1 LYS 29 -3.652 14.823 -2.843
373 HZ2 LYS 29 HZ2 LYS 29 -3.426 15.632 -4.243
374 HZ3 LYS 29 HZ3 LYS 29 -2.265 15.652 -3.101
375 H THR 30 H THR 30 -6.552 10.764 -2.141
376 HA THR 30 HA THR 30 -7.183 11.427 0.611
377 HB THR 30 HB THR 30 -5.814 13.349 0.103
378 HG1 THR 30 HG1 THR 30 -7.280 14.857 0.734
379 HG21 THR 30 HG21 THR 30 -6.015 13.518 -2.343
380 HG22 THR 30 HG22 THR 30 -6.425 15.044 -1.546
381 HG23 THR 30 HG23 THR 30 -7.711 14.015 -2.192
382 H LYS 31 H LYS 31 -9.185 13.378 -0.742
383 HA LYS 31 HA LYS 31 -11.361 11.489 -1.054
384 HB2 LYS 31 HB2 LYS 31 -12.718 13.463 -1.483
385 HB3 LYS 31 HB3 LYS 31 -11.658 13.722 -0.099
386 HG2 LYS 31 HG2 LYS 31 -10.114 15.070 -1.522
387 HG3 LYS 31 HG3 LYS 31 -11.179 14.805 -2.915
388 HD2 LYS 31 HD2 LYS 31 -13.036 15.931 -1.708
389 HD3 LYS 31 HD3 LYS 31 -11.956 16.217 -0.323
390 HE2 LYS 31 HE2 LYS 31 -10.432 17.526 -1.784
391 HE3 LYS 31 HE3 LYS 31 -11.508 17.249 -3.163
392 HZ1 LYS 31 HZ1 LYS 31 -12.255 18.726 -0.696
393 HZ2 LYS 31 HZ2 LYS 31 -13.242 18.466 -1.977
394 HZ3 LYS 31 HZ3 LYS 31 -11.917 19.407 -2.143
395 H ARG 32 H ARG 32 -9.037 12.504 -3.274
396 HA ARG 32 HA ARG 32 -10.299 11.161 -5.567
397 HB2 ARG 32 HB2 ARG 32 -9.311 14.056 -5.655
398 HB3 ARG 32 HB3 ARG 32 -9.561 13.050 -7.083
399 HG2 ARG 32 HG2 ARG 32 -11.973 12.783 -6.459
400 HG3 ARG 32 HG3 ARG 32 -11.715 13.914 -5.113
401 HD2 ARG 32 HD2 ARG 32 -10.992 15.656 -6.706
402 HD3 ARG 32 HD3 ARG 32 -11.262 14.539 -8.056
403 HE ARG 32 HE ARG 32 -13.656 14.700 -6.522
404 HH11 ARG 32 HH21 ARG 32 -11.814 16.770 -8.676
405 HH12 ARG 32 HH22 ARG 32 -13.227 17.676 -9.152
406 HH21 ARG 32 HH11 ARG 32 -15.409 15.895 -7.186
407 HH22 ARG 32 HH12 ARG 32 -15.197 17.192 -8.327
Start of MODEL 32
1 H1 GLY 1 1H GLY 1 -2.400 7.099 3.828
2 H2 GLY 1 2H GLY 1 -1.614 7.526 2.451
3 H3 GLY 1 3H GLY 1 -0.783 6.832 3.685
4 HA2 GLY 1 HA2 GLY 1 -2.064 4.781 3.432
5 HA3 GLY 1 HA3 GLY 1 -2.839 5.542 2.026
6 H ILE 2 H ILE 2 -1.970 3.577 0.927
7 HA ILE 2 HA ILE 2 0.940 3.491 0.481
8 HB ILE 2 HB ILE 2 -0.430 1.461 0.815
9 HG12 ILE 2 HG12 ILE 2 0.912 1.469 -1.914
10 HG13 ILE 2 HG13 ILE 2 1.800 1.535 -0.384
11 HG21 ILE 2 HG21 ILE 2 -1.529 1.934 -1.995
12 HG22 ILE 2 HG22 ILE 2 -1.859 0.553 -0.944
13 HG23 ILE 2 HG23 ILE 2 -2.459 2.140 -0.498
14 HD11 ILE 2 HD11 ILE 2 0.773 -0.635 0.275
15 HD12 ILE 2 HD12 ILE 2 0.023 -0.746 -1.338
16 HD13 ILE 2 HD13 ILE 2 1.790 -0.732 -1.168
17 H VAL 3 H VAL 3 -1.777 4.760 -1.333
18 HA VAL 3 HA VAL 3 -0.640 4.363 -3.930
19 HB VAL 3 HB VAL 3 -2.869 6.251 -3.112
20 HG11 VAL 3 HG11 VAL 3 -2.128 5.219 -5.896
21 HG12 VAL 3 HG12 VAL 3 -3.575 6.160 -5.484
22 HG13 VAL 3 HG13 VAL 3 -1.988 6.901 -5.349
23 HG21 VAL 3 HG21 VAL 3 -3.443 3.931 -2.592
24 HG22 VAL 3 HG22 VAL 3 -4.309 4.414 -4.050
25 HG23 VAL 3 HG23 VAL 3 -2.872 3.386 -4.188
26 H GLU 4 H GLU 4 -0.614 7.175 -1.762
27 HA GLU 4 HA GLU 4 1.028 8.802 -3.541
28 HB2 GLU 4 HB2 GLU 4 1.139 10.341 -1.739
29 HB3 GLU 4 HB3 GLU 4 -0.521 9.849 -1.957
30 HG2 GLU 4 HG2 GLU 4 1.237 8.675 0.244
31 HG3 GLU 4 HG3 GLU 4 0.391 10.186 0.402
32 H GLN 5 H GLN 5 1.651 6.490 -0.906
33 HA GLN 5 HA GLN 5 4.354 7.381 -0.459
34 HB2 GLN 5 HB2 GLN 5 3.001 6.319 1.293
35 HB3 GLN 5 HB3 GLN 5 2.889 4.829 0.343
36 HG2 GLN 5 HG2 GLN 5 4.500 4.558 2.140
37 HG3 GLN 5 HG3 GLN 5 5.317 4.455 0.594
38 HE21 GLN 5 HE21 GLN 5 6.552 6.466 -0.136
39 HE22 GLN 5 HE22 GLN 5 7.210 7.508 1.126
40 H CYS 6 HN CYS 6 3.004 4.571 -2.277
41 HA CYS 6 HA CYS 6 5.559 3.577 -3.215
42 HB2 CYS 6 HB2 CYS 6 2.682 3.329 -4.143
43 HB3 CYS 6 HB3 CYS 6 4.006 2.625 -5.050
44 H CYS 7 HN CYS 7 3.658 6.331 -4.190
45 HA CYS 7 HA CYS 7 4.966 6.463 -6.847
46 HB2 CYS 7 HB2 CYS 7 2.548 6.881 -6.566
47 HB3 CYS 7 HB3 CYS 7 2.900 8.266 -5.534
48 H THR 8 H THR 8 4.860 8.432 -3.850
49 HA THR 8 HA THR 8 6.850 10.344 -4.773
50 HB THR 8 HB THR 8 6.793 11.168 -2.431
51 HG1 THR 8 HG1 THR 8 4.708 9.290 -2.057
52 HG21 THR 8 HG21 THR 8 4.468 11.974 -2.464
53 HG22 THR 8 HG22 THR 8 4.043 10.776 -3.707
54 HG23 THR 8 HG23 THR 8 5.205 12.067 -4.071
55 H SER 9 H SER 9 7.133 7.256 -3.173
56 HA SER 9 HA SER 9 10.076 7.546 -3.320
57 HB2 SER 9 HB2 SER 9 9.291 8.109 -0.974
58 HB3 SER 9 HB3 SER 9 8.755 6.422 -0.840
59 HG SER 9 HG SER 9 10.933 6.849 -0.044
60 H ILE 10 H ILE 10 10.744 5.106 -2.268
61 HA ILE 10 HA ILE 10 9.534 3.131 -4.181
62 HB ILE 10 HB ILE 10 12.163 3.093 -2.637
63 HG12 ILE 10 HG12 ILE 10 11.524 3.265 -5.623
64 HG13 ILE 10 HG13 ILE 10 12.122 4.588 -4.619
65 HG21 ILE 10 HG21 ILE 10 10.923 0.998 -4.463
66 HG22 ILE 10 HG22 ILE 10 12.590 0.940 -3.836
67 HG23 ILE 10 HG23 ILE 10 11.235 0.835 -2.725
68 HD11 ILE 10 HD11 ILE 10 13.961 3.773 -5.889
69 HD12 ILE 10 HD12 ILE 10 14.222 3.264 -4.202
70 HD13 ILE 10 HD13 ILE 10 13.654 2.095 -5.425
71 H CYS 11 HN CYS 11 8.293 1.498 -3.445
72 HA CYS 11 HA CYS 11 8.027 1.104 -0.485
73 HB2 CYS 11 HB2 CYS 11 5.720 0.607 -0.825
74 HB3 CYS 11 HB3 CYS 11 6.090 2.178 -1.514
75 H SER 12 H SER 12 7.174 -1.033 0.161
76 HA SER 12 HA SER 12 8.894 -3.129 -1.066
77 HB2 SER 12 HB2 SER 12 9.140 -2.616 1.314
78 HB3 SER 12 HB3 SER 12 7.432 -3.016 1.592
79 HG SER 12 HG SER 12 9.034 -4.740 2.018
80 H LEU 13 H LEU 13 8.163 -5.265 -1.475
81 HA LEU 13 HA LEU 13 5.558 -5.577 -2.664
82 HB2 LEU 13 HB2 LEU 13 7.495 -7.717 -1.674
83 HB3 LEU 13 HB3 LEU 13 6.183 -7.933 -2.836
84 HG LEU 13 HG LEU 13 8.770 -6.374 -3.250
85 HD11 LEU 13 HD11 LEU 13 9.218 -8.098 -4.936
86 HD12 LEU 13 HD12 LEU 13 7.652 -8.869 -4.599
87 HD13 LEU 13 HD13 LEU 13 8.926 -8.845 -3.361
88 HD21 LEU 13 HD21 LEU 13 6.404 -6.665 -5.148
89 HD22 LEU 13 HD22 LEU 13 7.993 -6.032 -5.598
90 HD23 LEU 13 HD23 LEU 13 7.013 -5.151 -4.430
91 H TYR 14 H TYR 14 6.781 -6.137 0.609
92 HA TYR 14 HA TYR 14 4.509 -7.557 1.642
93 HB2 TYR 14 HB2 TYR 14 6.616 -7.412 2.858
94 HB3 TYR 14 HB3 TYR 14 6.486 -5.655 2.959
95 HD1 TYR 14 HD2 TYR 14 4.797 -8.840 4.013
96 HD2 TYR 14 HD1 TYR 14 5.290 -4.621 4.753
97 HE1 TYR 14 HE2 TYR 14 3.440 -9.048 6.093
98 HE2 TYR 14 HE1 TYR 14 3.941 -4.822 6.826
99 HH TYR 14 HH TYR 14 2.753 -6.224 8.205
100 H GLN 15 H GLN 15 5.035 -4.093 1.039
101 HA GLN 15 HA GLN 15 2.616 -3.228 2.467
102 HB2 GLN 15 HB2 GLN 15 4.375 -1.798 0.419
103 HB3 GLN 15 HB3 GLN 15 3.048 -1.064 1.288
104 HG2 GLN 15 HG2 GLN 15 4.160 -1.421 3.437
105 HG3 GLN 15 HG3 GLN 15 5.497 -2.269 2.651
106 HE21 GLN 15 HE21 GLN 15 4.167 0.924 3.377
107 HE22 GLN 15 HE22 GLN 15 5.507 1.796 2.647
108 H LEU 16 H LEU 16 3.514 -3.833 -0.962
109 HA LEU 16 HA LEU 16 0.985 -3.251 -2.109
110 HB2 LEU 16 HB2 LEU 16 3.087 -5.295 -2.935
111 HB3 LEU 16 HB3 LEU 16 1.763 -4.776 -3.959
112 HG LEU 16 HG LEU 16 4.041 -3.004 -2.958
113 HD11 LEU 16 HD11 LEU 16 4.799 -3.034 -5.285
114 HD12 LEU 16 HD12 LEU 16 3.442 -4.091 -5.736
115 HD13 LEU 16 HD13 LEU 16 4.720 -4.674 -4.645
116 HD21 LEU 16 HD21 LEU 16 1.982 -1.659 -3.318
117 HD22 LEU 16 HD22 LEU 16 1.815 -2.370 -4.941
118 HD23 LEU 16 HD23 LEU 16 3.194 -1.324 -4.557
119 H GLU 17 H GLU 17 2.166 -6.366 -0.780
120 HA GLU 17 HA GLU 17 -0.337 -7.749 -1.237
121 HB2 GLU 17 HB2 GLU 17 2.096 -8.327 0.497
122 HB3 GLU 17 HB3 GLU 17 0.661 -9.343 0.525
123 HG2 GLU 17 HG2 GLU 17 1.164 -9.075 -2.221
124 HG3 GLU 17 HG3 GLU 17 2.781 -9.161 -1.518
125 H ASN 18 H ASN 18 0.855 -5.880 1.583
126 HA ASN 18 HA ASN 18 -1.185 -6.806 3.379
127 HB2 ASN 18 HB2 ASN 18 0.983 -5.947 4.116
128 HB3 ASN 18 HB3 ASN 18 0.584 -4.349 3.467
129 HD21 ASN 18 HD21 ASN 18 -0.421 -6.803 5.906
130 HD22 ASN 18 HD22 ASN 18 -1.148 -5.633 6.988
131 H TYR 19 H TYR 19 -1.016 -3.977 1.194
132 HA TYR 19 HA TYR 19 -3.629 -2.938 2.066
133 HB2 TYR 19 HB2 TYR 19 -1.550 -2.145 0.027
134 HB3 TYR 19 HB3 TYR 19 -3.170 -1.497 -0.096
135 HD1 TYR 19 HD2 TYR 19 -0.243 -1.723 2.237
136 HD2 TYR 19 HD1 TYR 19 -4.002 0.194 1.363
137 HE1 TYR 19 HE2 TYR 19 0.241 0.001 3.958
138 HE2 TYR 19 HE1 TYR 19 -3.534 1.912 3.089
139 HH TYR 19 HH TYR 19 -2.060 2.646 4.721
140 H CYS 20 HN CYS 20 -2.821 -5.560 0.142
141 HA CYS 20 HA CYS 20 -5.072 -5.376 -1.732
142 HB2 CYS 20 HB2 CYS 20 -2.826 -6.549 -2.082
143 HB3 CYS 20 HB3 CYS 20 -3.427 -7.792 -0.982
144 H ASN 21 H ASN 21 -6.565 -7.433 -1.767
145 HA ASN 21 HA ASN 21 -8.396 -7.111 0.396
146 HB2 ASN 21 HB2 ASN 21 -8.949 -7.648 -1.999
147 HB3 ASN 21 HB3 ASN 21 -8.315 -9.270 -1.756
148 HD21 ASN 21 HD21 ASN 21 -10.826 -6.973 -0.665
149 HD22 ASN 21 HD22 ASN 21 -11.957 -8.221 -0.169
150 H1 PHE 1 H1 PHE 1 9.980 -3.449 -13.709
151 H2 PHE 1 H2 PHE 1 9.961 -2.380 -12.458
152 H3 PHE 1 H3 PHE 1 8.753 -3.470 -12.617
153 HA PHE 1 HA PHE 1 10.222 -5.293 -12.210
154 HB2 PHE 1 HB2 PHE 1 12.538 -4.939 -11.546
155 HB3 PHE 1 HB3 PHE 1 12.240 -4.376 -13.169
156 HD1 PHE 1 HD1 PHE 1 12.378 -1.955 -13.744
157 HD2 PHE 1 HD2 PHE 1 13.157 -3.380 -9.745
158 HE1 PHE 1 HE1 PHE 1 13.412 0.219 -13.164
159 HE2 PHE 1 HE2 PHE 1 14.178 -1.199 -9.168
160 HZ PHE 1 HZ PHE 1 14.312 0.609 -10.881
161 H VAL 2 H VAL 2 11.025 -5.916 -9.944
162 HA VAL 2 HA VAL 2 9.030 -4.957 -8.070
163 HB VAL 2 HB VAL 2 10.093 -6.500 -6.441
164 HG11 VAL 2 HG11 VAL 2 9.448 -7.752 -9.144
165 HG12 VAL 2 HG12 VAL 2 9.378 -8.547 -7.558
166 HG13 VAL 2 HG13 VAL 2 8.264 -7.223 -7.929
167 HG21 VAL 2 HG21 VAL 2 11.788 -8.113 -7.145
168 HG22 VAL 2 HG22 VAL 2 11.971 -7.298 -8.708
169 HG23 VAL 2 HG23 VAL 2 12.440 -6.474 -7.209
170 H ASN 3 H ASN 3 9.245 -3.884 -6.114
171 HA ASN 3 HA ASN 3 9.943 -2.278 -4.693
172 HB2 ASN 3 HB2 ASN 3 11.414 -4.127 -4.001
173 HB3 ASN 3 HB3 ASN 3 12.674 -3.561 -5.099
174 HD21 ASN 3 HD21 ASN 3 10.525 -1.907 -2.631
175 HD22 ASN 3 HD22 ASN 3 11.892 -1.229 -1.772
176 H GLN 4 H GLN 4 9.276 -0.817 -6.368
177 HA GLN 4 HA GLN 4 11.381 0.939 -7.564
178 HB2 GLN 4 HB2 GLN 4 10.568 -0.970 -9.075
179 HB3 GLN 4 HB3 GLN 4 8.952 -0.301 -8.940
180 HG2 GLN 4 HG2 GLN 4 10.046 1.858 -10.028
181 HG3 GLN 4 HG3 GLN 4 11.346 0.757 -10.456
182 HE21 GLN 4 HE21 GLN 4 7.949 1.635 -10.972
183 HE22 GLN 4 HE22 GLN 4 7.672 0.553 -12.339
184 H HIS 5 H HIS 5 10.335 3.027 -8.397
185 HA HIS 5 HA HIS 5 8.135 4.053 -6.729
186 HB2 HIS 5 HB2 HIS 5 9.607 5.068 -9.207
187 HB3 HIS 5 HB3 HIS 5 8.149 5.837 -8.621
188 HD1 HIS 5 HD1 HIS 5 8.397 7.594 -6.729
189 HD2 HIS 5 HD2 HIS 5 11.808 5.225 -7.436
190 HE1 HIS 5 HE1 HIS 5 10.311 8.682 -5.442
191 H LEU 6 H LEU 6 6.025 3.869 -7.171
192 HA LEU 6 HA LEU 6 5.019 2.831 -9.780
193 HB2 LEU 6 HB2 LEU 6 4.583 1.753 -6.966
194 HB3 LEU 6 HB3 LEU 6 3.548 1.326 -8.323
195 HG LEU 6 HG LEU 6 6.540 0.749 -8.276
196 HD11 LEU 6 HD11 LEU 6 5.880 -1.567 -7.692
197 HD12 LEU 6 HD12 LEU 6 4.204 -1.015 -7.458
198 HD13 LEU 6 HD13 LEU 6 5.495 -0.405 -6.411
199 HD21 LEU 6 HD21 LEU 6 5.560 0.776 -10.526
200 HD22 LEU 6 HD22 LEU 6 4.262 -0.317 -10.002
201 HD23 LEU 6 HD23 LEU 6 5.941 -0.879 -10.045
202 H CYS 7 HN CYS 7 3.596 4.315 -10.463
203 HA CYS 7 HA CYS 7 1.823 5.751 -8.525
204 HB2 CYS 7 HB2 CYS 7 2.998 6.594 -11.193
205 HB3 CYS 7 HB3 CYS 7 1.891 7.551 -10.236
206 H GLY 8 H GLY 8 -0.341 5.895 -9.008
207 HA2 GLY 8 HA2 GLY 8 -2.409 5.425 -9.955
208 HA3 GLY 8 HA3 GLY 8 -1.600 5.971 -11.419
209 H SER 9 H SER 9 -2.094 4.690 -13.052
210 HA SER 9 HA SER 9 -3.096 2.093 -13.034
211 HB2 SER 9 HB2 SER 9 -1.334 3.328 -15.182
212 HB3 SER 9 HB3 SER 9 -2.533 2.038 -15.387
213 HG SER 9 HG SER 9 -3.376 4.092 -16.010
214 H HIS 10 H HIS 10 0.394 3.035 -13.121
215 HA HIS 10 HA HIS 10 1.255 0.288 -13.589
216 HB2 HIS 10 HB2 HIS 10 2.464 2.398 -14.305
217 HB3 HIS 10 HB3 HIS 10 2.888 2.650 -12.602
218 HD1 HIS 10 HD1 HIS 10 3.055 -0.684 -14.644
219 HD2 HIS 10 HD2 HIS 10 5.463 2.161 -12.687
220 HE1 HIS 10 HE1 HIS 10 5.436 -1.611 -14.659
221 H LEU 11 H LEU 11 0.689 2.270 -10.699
222 HA LEU 11 HA LEU 11 1.713 0.264 -8.856
223 HB2 LEU 11 HB2 LEU 11 1.431 2.625 -8.192
224 HB3 LEU 11 HB3 LEU 11 -0.300 2.525 -8.462
225 HG LEU 11 HG LEU 11 -0.550 0.926 -6.652
226 HD11 LEU 11 HD11 LEU 11 1.270 0.424 -5.073
227 HD12 LEU 11 HD12 LEU 11 2.433 1.247 -6.130
228 HD13 LEU 11 HD13 LEU 11 1.631 -0.250 -6.663
229 HD21 LEU 11 HD21 LEU 11 -0.034 2.429 -4.784
230 HD22 LEU 11 HD22 LEU 11 -0.715 3.304 -6.167
231 HD23 LEU 11 HD23 LEU 11 1.026 3.391 -5.839
232 H VAL 12 H VAL 12 -1.523 0.930 -10.229
233 HA VAL 12 HA VAL 12 -2.866 -1.206 -8.888
234 HB VAL 12 HB VAL 12 -3.464 0.109 -11.551
235 HG11 VAL 12 HG11 VAL 12 -4.547 -2.084 -11.631
236 HG12 VAL 12 HG12 VAL 12 -5.202 -1.859 -9.992
237 HG13 VAL 12 HG13 VAL 12 -5.756 -0.842 -11.341
238 HG21 VAL 12 HG21 VAL 12 -4.788 0.371 -8.809
239 HG22 VAL 12 HG22 VAL 12 -3.664 1.546 -9.500
240 HG23 VAL 12 HG23 VAL 12 -5.227 1.271 -10.276
241 H GLU 13 H GLU 13 -1.163 -1.256 -12.084
242 HA GLU 13 HA GLU 13 -1.455 -4.017 -12.681
243 HB2 GLU 13 HB2 GLU 13 0.931 -2.177 -13.087
244 HB3 GLU 13 HB3 GLU 13 0.848 -3.820 -13.712
245 HG2 GLU 13 HG2 GLU 13 -1.085 -3.278 -15.087
246 HG3 GLU 13 HG3 GLU 13 -1.092 -1.619 -14.498
247 H ALA 14 H ALA 14 1.091 -2.439 -10.666
248 HA ALA 14 HA ALA 14 2.472 -4.853 -10.034
249 HB1 ALA 14 HB1 ALA 14 3.612 -3.446 -8.343
250 HB2 ALA 14 HB2 ALA 14 3.492 -2.616 -9.906
251 HB3 ALA 14 HB3 ALA 14 2.392 -2.173 -8.580
252 H LEU 15 H LEU 15 -0.060 -3.071 -8.194
253 HA LEU 15 HA LEU 15 -0.119 -4.757 -5.903
254 HB2 LEU 15 HB2 LEU 15 -2.247 -3.087 -7.324
255 HB3 LEU 15 HB3 LEU 15 -2.583 -3.916 -5.815
256 HG LEU 15 HG LEU 15 -0.251 -1.975 -6.008
257 HD11 LEU 15 HD11 LEU 15 -3.168 -1.378 -5.459
258 HD12 LEU 15 HD12 LEU 15 -2.179 -0.709 -6.745
259 HD13 LEU 15 HD13 LEU 15 -1.848 -0.267 -5.053
260 HD21 LEU 15 HD21 LEU 15 -0.348 -3.483 -4.046
261 HD22 LEU 15 HD22 LEU 15 -1.989 -2.912 -3.680
262 HD23 LEU 15 HD23 LEU 15 -0.611 -1.796 -3.582
263 H TYR 16 H TYR 16 -1.965 -5.089 -8.997
264 HA TYR 16 HA TYR 16 -3.250 -7.537 -8.139
265 HB2 TYR 16 HB2 TYR 16 -2.902 -6.118 -10.776
266 HB3 TYR 16 HB3 TYR 16 -3.415 -7.794 -10.774
267 HD1 TYR 16 HD2 TYR 16 -5.419 -8.482 -9.295
268 HD2 TYR 16 HD1 TYR 16 -4.600 -4.436 -10.518
269 HE1 TYR 16 HE2 TYR 16 -7.801 -7.886 -8.910
270 HE2 TYR 16 HE1 TYR 16 -6.967 -3.820 -10.098
271 HH TYR 16 HH TYR 16 -9.385 -6.200 -8.921
272 H LEU 17 H LEU 17 -0.261 -6.987 -10.059
273 HA LEU 17 HA LEU 17 0.265 -9.786 -10.516
274 HB2 LEU 17 HB2 LEU 17 2.040 -7.304 -10.507
275 HB3 LEU 17 HB3 LEU 17 2.634 -8.903 -10.957
276 HG LEU 17 HG LEU 17 0.305 -7.557 -12.393
277 HD11 LEU 17 HD11 LEU 17 3.266 -7.602 -13.140
278 HD12 LEU 17 HD12 LEU 17 2.346 -6.178 -12.613
279 HD13 LEU 17 HD13 LEU 17 1.941 -6.966 -14.145
280 HD21 LEU 17 HD21 LEU 17 0.372 -10.002 -12.706
281 HD22 LEU 17 HD22 LEU 17 2.087 -9.913 -13.152
282 HD23 LEU 17 HD23 LEU 17 0.849 -9.175 -14.191
283 H VAL 18 H VAL 18 1.435 -7.599 -7.943
284 HA VAL 18 HA VAL 18 3.124 -9.614 -6.746
285 HB VAL 18 HB VAL 18 2.196 -6.889 -5.775
286 HG11 VAL 18 HG11 VAL 18 4.105 -7.032 -4.150
287 HG12 VAL 18 HG12 VAL 18 2.763 -8.112 -3.765
288 HG13 VAL 18 HG13 VAL 18 4.244 -8.762 -4.516
289 HG21 VAL 18 HG21 VAL 18 4.897 -7.895 -6.823
290 HG22 VAL 18 HG22 VAL 18 3.737 -6.997 -7.809
291 HG23 VAL 18 HG23 VAL 18 4.479 -6.218 -6.421
292 H CYS 19 HN CYS 19 -0.199 -8.459 -6.032
293 HA CYS 19 HA CYS 19 -0.475 -10.073 -3.616
294 HB2 CYS 19 HB2 CYS 19 -1.662 -7.955 -4.024
295 HB3 CYS 19 HB3 CYS 19 -2.509 -8.688 -5.401
296 H GLY 20 H GLY 20 -1.247 -10.632 -7.056
297 HA2 GLY 20 HA2 GLY 20 -1.622 -12.647 -8.138
298 HA3 GLY 20 HA3 GLY 20 -1.478 -13.500 -6.591
299 H GLU 21 H GLU 21 -3.201 -14.770 -6.597
300 HA GLU 21 HA GLU 21 -5.619 -14.214 -7.970
301 HB2 GLU 21 HB2 GLU 21 -6.386 -16.351 -7.068
302 HB3 GLU 21 HB3 GLU 21 -4.793 -16.443 -7.787
303 HG2 GLU 21 HG2 GLU 21 -4.927 -16.041 -4.801
304 HG3 GLU 21 HG3 GLU 21 -5.430 -17.598 -5.443
305 H ARG 22 H ARG 22 -4.815 -13.301 -4.732
306 HA ARG 22 HA ARG 22 -7.448 -13.261 -3.563
307 HB2 ARG 22 HB2 ARG 22 -5.018 -11.513 -3.078
308 HB3 ARG 22 HB3 ARG 22 -6.484 -11.461 -2.095
309 HG2 ARG 22 HG2 ARG 22 -6.128 -13.916 -1.592
310 HG3 ARG 22 HG3 ARG 22 -4.549 -13.794 -2.378
311 HD2 ARG 22 HD2 ARG 22 -5.481 -12.129 0.004
312 HD3 ARG 22 HD3 ARG 22 -4.484 -13.571 0.116
313 HE ARG 22 HE ARG 22 -2.755 -12.367 -1.244
314 HH11 ARG 22 HH21 ARG 22 -5.028 -10.255 0.549
315 HH12 ARG 22 HH22 ARG 22 -3.726 -9.180 0.985
316 HH21 ARG 22 HH11 ARG 22 -1.210 -10.832 -0.673
317 HH22 ARG 22 HH12 ARG 22 -1.729 -9.418 0.231
318 H GLY 23 H GLY 23 -5.754 -10.972 -5.679
319 HA2 GLY 23 HA2 GLY 23 -6.556 -9.326 -7.078
320 HA3 GLY 23 HA3 GLY 23 -8.215 -9.650 -6.531
321 H PHE 24 H PHE 24 -6.518 -7.124 -6.952
322 HA PHE 24 HA PHE 24 -6.322 -5.891 -4.339
323 HB2 PHE 24 HB2 PHE 24 -4.903 -5.286 -6.283
324 HB3 PHE 24 HB3 PHE 24 -6.322 -4.659 -7.114
325 HD1 PHE 24 HD2 PHE 24 -4.570 -4.318 -3.782
326 HD2 PHE 24 HD1 PHE 24 -6.702 -2.341 -6.968
327 HE1 PHE 24 HE2 PHE 24 -4.327 -2.148 -2.598
328 HE2 PHE 24 HE1 PHE 24 -6.417 -0.168 -5.807
329 HZ PHE 24 HZ PHE 24 -5.237 -0.068 -3.624
330 H PHE 25 H PHE 25 -7.500 -3.955 -3.663
331 HA PHE 25 HA PHE 25 -10.343 -3.773 -4.423
332 HB2 PHE 25 HB2 PHE 25 -10.196 -5.858 -3.115
333 HB3 PHE 25 HB3 PHE 25 -9.386 -5.007 -1.805
334 HD1 PHE 25 HD2 PHE 25 -12.604 -5.220 -3.719
335 HD2 PHE 25 HD1 PHE 25 -10.663 -3.959 -0.081
336 HE1 PHE 25 HE2 PHE 25 -14.818 -4.777 -2.685
337 HE2 PHE 25 HE1 PHE 25 -12.875 -3.536 0.955
338 HZ PHE 25 HZ PHE 25 -14.962 -3.930 -0.347
339 H TYR 26 H TYR 26 -7.711 -2.687 -2.256
340 HA TYR 26 HA TYR 26 -9.139 -0.780 -0.758
341 HB2 TYR 26 HB2 TYR 26 -6.978 -1.664 -0.160
342 HB3 TYR 26 HB3 TYR 26 -6.223 -0.945 -1.569
343 HD1 TYR 26 HD2 TYR 26 -7.708 -0.247 1.759
344 HD2 TYR 26 HD1 TYR 26 -5.529 1.377 -1.593
345 HE1 TYR 26 HE2 TYR 26 -7.068 1.728 3.132
346 HE2 TYR 26 HE1 TYR 26 -4.894 3.348 -0.228
347 HH TYR 26 HH TYR 26 -5.048 4.391 1.830
348 H THR 27 H THR 27 -9.840 1.290 -1.066
349 HA THR 27 HA THR 27 -9.908 2.324 -3.766
350 HB THR 27 HB THR 27 -11.188 4.221 -2.729
351 HG1 THR 27 HG1 THR 27 -11.813 3.810 -0.520
352 HG21 THR 27 HG21 THR 27 -12.152 1.419 -1.946
353 HG22 THR 27 HG22 THR 27 -12.300 2.140 -3.555
354 HG23 THR 27 HG23 THR 27 -13.153 2.869 -2.189
355 HA PRO 28 HA PRO 28 -6.362 4.899 -3.580
356 HB2 PRO 28 HB2 PRO 28 -6.807 6.738 -5.559
357 HB3 PRO 28 HB3 PRO 28 -6.497 5.006 -5.882
358 HG2 PRO 28 HG2 PRO 28 -9.186 6.416 -5.720
359 HG3 PRO 28 HG3 PRO 28 -8.606 5.297 -6.983
360 HD2 PRO 28 HD2 PRO 28 -10.182 4.455 -4.921
361 HD3 PRO 28 HD3 PRO 28 -8.885 3.418 -5.582
362 H LYS 29 H LYS 29 -5.645 6.565 -2.380
363 HA LYS 29 HA LYS 29 -7.656 8.463 -1.227
364 HB2 LYS 29 HB2 LYS 29 -4.896 7.631 -0.250
365 HB3 LYS 29 HB3 LYS 29 -6.049 8.650 0.611
366 HG2 LYS 29 HG2 LYS 29 -6.395 5.695 -0.054
367 HG3 LYS 29 HG3 LYS 29 -6.029 6.412 1.513
368 HD2 LYS 29 HD2 LYS 29 -8.215 7.595 1.486
369 HD3 LYS 29 HD3 LYS 29 -8.650 6.771 -0.016
370 HE2 LYS 29 HE2 LYS 29 -7.832 5.293 2.533
371 HE3 LYS 29 HE3 LYS 29 -9.507 5.753 2.204
372 HZ1 LYS 29 HZ1 LYS 29 -9.542 4.351 0.286
373 HZ2 LYS 29 HZ2 LYS 29 -8.919 3.454 1.498
374 HZ3 LYS 29 HZ3 LYS 29 -7.951 4.066 0.320
375 H THR 30 H THR 30 -4.813 8.478 -3.253
376 HA THR 30 HA THR 30 -4.003 11.208 -2.910
377 HB THR 30 HB THR 30 -3.651 9.470 -5.382
378 HG1 THR 30 HG1 THR 30 -1.704 8.869 -4.255
379 HG21 THR 30 HG21 THR 30 -2.879 11.824 -5.641
380 HG22 THR 30 HG22 THR 30 -1.496 10.722 -5.552
381 HG23 THR 30 HG23 THR 30 -1.940 11.688 -4.136
382 H LYS 31 H LYS 31 -6.286 9.639 -5.124
383 HA LYS 31 HA LYS 31 -7.742 12.146 -5.521
384 HB2 LYS 31 HB2 LYS 31 -5.974 12.204 -7.271
385 HB3 LYS 31 HB3 LYS 31 -6.549 10.650 -7.894
386 HG2 LYS 31 HG2 LYS 31 -8.746 11.682 -8.429
387 HG3 LYS 31 HG3 LYS 31 -8.173 13.230 -7.762
388 HD2 LYS 31 HD2 LYS 31 -6.360 13.279 -9.468
389 HD3 LYS 31 HD3 LYS 31 -6.943 11.757 -10.155
390 HE2 LYS 31 HE2 LYS 31 -8.564 14.340 -9.958
391 HE3 LYS 31 HE3 LYS 31 -7.649 13.843 -11.382
392 HZ1 LYS 31 HZ1 LYS 31 -9.057 11.873 -11.541
393 HZ2 LYS 31 HZ2 LYS 31 -9.961 13.234 -11.602
394 HZ3 LYS 31 HZ3 LYS 31 -9.934 12.336 -10.240
395 H ARG 32 H ARG 32 -9.876 11.781 -5.782
396 HA ARG 32 HA ARG 32 -11.207 9.474 -6.788
397 HB2 ARG 32 HB2 ARG 32 -12.104 8.494 -4.783
398 HB3 ARG 32 HB3 ARG 32 -10.373 8.381 -4.739
399 HG2 ARG 32 HG2 ARG 32 -10.250 9.467 -2.770
400 HG3 ARG 32 HG3 ARG 32 -11.111 10.860 -3.405
401 HD2 ARG 32 HD2 ARG 32 -12.404 8.340 -2.267
402 HD3 ARG 32 HD3 ARG 32 -12.239 9.900 -1.451
403 HE ARG 32 HE ARG 32 -13.587 10.107 -4.028
404 HH11 ARG 32 HH11 ARG 32 -14.278 9.351 -0.669
405 HH12 ARG 32 HH12 ARG 32 -15.958 9.782 -0.838
406 HH21 ARG 32 HH21 ARG 32 -15.650 10.617 -4.176
407 HH22 ARG 32 HH22 ARG 32 -16.735 10.463 -2.815
Start of MODEL 33
1 H1 GLY 1 1H GLY 1 -5.295 5.688 1.869
2 H2 GLY 1 2H GLY 1 -3.706 5.319 1.720
3 H3 GLY 1 3H GLY 1 -4.799 4.126 2.021
4 HA2 GLY 1 HA2 GLY 1 -5.837 4.485 -0.124
5 HA3 GLY 1 HA3 GLY 1 -4.629 5.739 -0.457
6 H ILE 2 H ILE 2 -2.616 5.155 -0.974
7 HA ILE 2 HA ILE 2 -0.953 3.177 -0.641
8 HB ILE 2 HB ILE 2 -2.384 1.370 -1.395
9 HG12 ILE 2 HG12 ILE 2 -0.961 0.246 -3.006
10 HG13 ILE 2 HG13 ILE 2 -0.136 1.742 -3.396
11 HG21 ILE 2 HG21 ILE 2 -3.771 2.626 -3.082
12 HG22 ILE 2 HG22 ILE 2 -2.383 2.601 -4.188
13 HG23 ILE 2 HG23 ILE 2 -3.145 1.087 -3.672
14 HD11 ILE 2 HD11 ILE 2 1.167 0.310 -1.868
15 HD12 ILE 2 HD12 ILE 2 0.795 1.862 -1.111
16 HD13 ILE 2 HD13 ILE 2 -0.135 0.413 -0.669
17 H VAL 3 H VAL 3 -2.359 5.009 -3.307
18 HA VAL 3 HA VAL 3 -0.018 5.372 -4.860
19 HB VAL 3 HB VAL 3 -2.311 7.346 -4.484
20 HG11 VAL 3 HG11 VAL 3 -1.731 8.161 -6.749
21 HG12 VAL 3 HG12 VAL 3 -0.383 8.408 -5.641
22 HG13 VAL 3 HG13 VAL 3 -0.332 7.068 -6.803
23 HG21 VAL 3 HG21 VAL 3 -3.276 6.324 -6.517
24 HG22 VAL 3 HG22 VAL 3 -1.955 5.155 -6.577
25 HG23 VAL 3 HG23 VAL 3 -3.124 5.107 -5.245
26 H GLU 4 H GLU 4 -1.114 7.132 -1.933
27 HA GLU 4 HA GLU 4 0.925 9.143 -2.016
28 HB2 GLU 4 HB2 GLU 4 0.162 9.801 0.099
29 HB3 GLU 4 HB3 GLU 4 -1.250 9.371 -0.827
30 HG2 GLU 4 HG2 GLU 4 0.051 7.618 1.305
31 HG3 GLU 4 HG3 GLU 4 -1.298 8.704 1.575
32 H GLN 5 H GLN 5 1.263 5.832 -1.382
33 HA GLN 5 HA GLN 5 3.801 6.268 0.145
34 HB2 GLN 5 HB2 GLN 5 2.244 4.617 1.124
35 HB3 GLN 5 HB3 GLN 5 2.189 3.734 -0.404
36 HG2 GLN 5 HG2 GLN 5 4.633 3.257 -0.209
37 HG3 GLN 5 HG3 GLN 5 4.675 4.141 1.316
38 HE21 GLN 5 HE21 GLN 5 3.063 1.307 -0.295
39 HE22 GLN 5 HE22 GLN 5 2.859 0.425 1.208
40 H CYS 6 HN CYS 6 2.571 4.183 -2.542
41 HA CYS 6 HA CYS 6 5.254 3.682 -3.481
42 HB2 CYS 6 HB2 CYS 6 2.471 3.091 -4.524
43 HB3 CYS 6 HB3 CYS 6 3.912 2.623 -5.409
44 H CYS 7 HN CYS 7 2.960 6.170 -4.520
45 HA CYS 7 HA CYS 7 4.542 6.674 -6.984
46 HB2 CYS 7 HB2 CYS 7 2.027 6.870 -6.841
47 HB3 CYS 7 HB3 CYS 7 2.265 8.326 -5.865
48 H THR 8 H THR 8 3.866 8.273 -3.877
49 HA THR 8 HA THR 8 5.507 10.575 -4.197
50 HB THR 8 HB THR 8 4.731 9.155 -1.625
51 HG1 THR 8 HG1 THR 8 2.876 10.355 -1.749
52 HG21 THR 8 HG21 THR 8 4.683 11.473 -0.707
53 HG22 THR 8 HG22 THR 8 5.310 12.089 -2.251
54 HG23 THR 8 HG23 THR 8 6.304 11.013 -1.241
55 H SER 9 H SER 9 6.236 7.355 -2.802
56 HA SER 9 HA SER 9 9.156 8.004 -2.756
57 HB2 SER 9 HB2 SER 9 7.487 6.725 -0.550
58 HB3 SER 9 HB3 SER 9 9.255 6.824 -0.558
59 HG SER 9 HG SER 9 8.287 8.524 0.668
60 H ILE 10 H ILE 10 10.452 5.937 -2.306
61 HA ILE 10 HA ILE 10 9.732 3.809 -4.156
62 HB ILE 10 HB ILE 10 11.928 4.192 -2.089
63 HG12 ILE 10 HG12 ILE 10 11.866 3.979 -5.130
64 HG13 ILE 10 HG13 ILE 10 12.053 5.464 -4.194
65 HG21 ILE 10 HG21 ILE 10 11.517 1.726 -3.810
66 HG22 ILE 10 HG22 ILE 10 12.970 2.068 -2.852
67 HG23 ILE 10 HG23 ILE 10 11.444 1.781 -2.038
68 HD11 ILE 10 HD11 ILE 10 14.201 4.875 -5.031
69 HD12 ILE 10 HD12 ILE 10 14.219 4.561 -3.282
70 HD13 ILE 10 HD13 ILE 10 14.073 3.216 -4.451
71 H CYS 11 HN CYS 11 8.722 1.932 -3.846
72 HA CYS 11 HA CYS 11 8.244 0.923 -1.105
73 HB2 CYS 11 HB2 CYS 11 5.966 0.553 -1.406
74 HB3 CYS 11 HB3 CYS 11 6.215 2.195 -1.968
75 H SER 12 H SER 12 7.291 -1.413 -1.318
76 HA SER 12 HA SER 12 8.540 -2.920 -3.592
77 HB2 SER 12 HB2 SER 12 10.107 -2.814 -1.656
78 HB3 SER 12 HB3 SER 12 8.873 -3.596 -0.643
79 HG SER 12 HG SER 12 10.412 -5.092 -1.553
80 H LEU 13 H LEU 13 7.881 -5.172 -3.717
81 HA LEU 13 HA LEU 13 5.027 -5.455 -3.791
82 HB2 LEU 13 HB2 LEU 13 7.171 -7.615 -3.924
83 HB3 LEU 13 HB3 LEU 13 5.511 -7.755 -4.443
84 HG LEU 13 HG LEU 13 6.570 -7.557 -6.439
85 HD11 LEU 13 HD11 LEU 13 4.883 -5.756 -6.408
86 HD12 LEU 13 HD12 LEU 13 6.231 -5.377 -7.469
87 HD13 LEU 13 HD13 LEU 13 6.119 -4.593 -5.887
88 HD21 LEU 13 HD21 LEU 13 8.508 -5.472 -5.393
89 HD22 LEU 13 HD22 LEU 13 8.515 -6.241 -6.993
90 HD23 LEU 13 HD23 LEU 13 8.824 -7.213 -5.553
91 H TYR 14 H TYR 14 7.427 -6.323 -1.362
92 HA TYR 14 HA TYR 14 5.811 -7.996 0.311
93 HB2 TYR 14 HB2 TYR 14 8.280 -7.780 0.400
94 HB3 TYR 14 HB3 TYR 14 8.132 -6.117 0.949
95 HD1 TYR 14 HD2 TYR 14 7.212 -9.645 1.858
96 HD2 TYR 14 HD1 TYR 14 8.007 -5.650 3.281
97 HE1 TYR 14 HE2 TYR 14 7.128 -10.467 4.208
98 HE2 TYR 14 HE1 TYR 14 7.934 -6.467 5.626
99 HH TYR 14 HH TYR 14 7.324 -9.917 6.440
100 H GLN 15 H GLN 15 5.760 -4.516 -0.171
101 HA GLN 15 HA GLN 15 4.062 -4.032 2.244
102 HB2 GLN 15 HB2 GLN 15 4.994 -2.192 -0.003
103 HB3 GLN 15 HB3 GLN 15 4.003 -1.702 1.363
104 HG2 GLN 15 HG2 GLN 15 5.786 -2.188 2.947
105 HG3 GLN 15 HG3 GLN 15 6.780 -2.926 1.694
106 HE21 GLN 15 HE21 GLN 15 5.827 0.172 3.108
107 HE22 GLN 15 HE22 GLN 15 6.870 1.114 2.059
108 H LEU 16 H LEU 16 3.767 -4.277 -1.336
109 HA LEU 16 HA LEU 16 0.971 -3.676 -1.462
110 HB2 LEU 16 HB2 LEU 16 2.725 -5.432 -3.231
111 HB3 LEU 16 HB3 LEU 16 1.078 -4.974 -3.599
112 HG LEU 16 HG LEU 16 3.535 -3.179 -3.440
113 HD11 LEU 16 HD11 LEU 16 2.961 -2.681 -5.782
114 HD12 LEU 16 HD12 LEU 16 1.534 -3.739 -5.676
115 HD13 LEU 16 HD13 LEU 16 3.167 -4.422 -5.548
116 HD21 LEU 16 HD21 LEU 16 2.016 -1.278 -4.061
117 HD22 LEU 16 HD22 LEU 16 1.805 -1.849 -2.411
118 HD23 LEU 16 HD23 LEU 16 0.627 -2.309 -3.656
119 H GLU 17 H GLU 17 2.591 -6.742 -0.788
120 HA GLU 17 HA GLU 17 0.422 -8.506 -0.581
121 HB2 GLU 17 HB2 GLU 17 2.978 -8.150 0.987
122 HB3 GLU 17 HB3 GLU 17 1.823 -9.342 1.537
123 HG2 GLU 17 HG2 GLU 17 2.995 -9.260 -1.270
124 HG3 GLU 17 HG3 GLU 17 3.613 -10.253 0.048
125 H ASN 18 H ASN 18 1.102 -5.785 1.656
126 HA ASN 18 HA ASN 18 -0.771 -6.702 3.683
127 HB2 ASN 18 HB2 ASN 18 1.206 -5.277 4.149
128 HB3 ASN 18 HB3 ASN 18 0.463 -3.976 3.220
129 HD21 ASN 18 HD21 ASN 18 -0.212 -6.141 6.051
130 HD22 ASN 18 HD22 ASN 18 -1.110 -4.916 6.925
131 H TYR 19 H TYR 19 -1.125 -5.056 0.650
132 HA TYR 19 HA TYR 19 -3.822 -3.980 1.294
133 HB2 TYR 19 HB2 TYR 19 -1.952 -3.610 -1.065
134 HB3 TYR 19 HB3 TYR 19 -3.605 -3.005 -1.022
135 HD1 TYR 19 HD1 TYR 19 -0.268 -2.747 0.620
136 HD2 TYR 19 HD2 TYR 19 -4.212 -1.064 0.277
137 HE1 TYR 19 HE1 TYR 19 0.453 -0.796 1.998
138 HE2 TYR 19 HE2 TYR 19 -3.499 0.899 1.620
139 HH TYR 19 HH TYR 19 -1.794 1.889 2.806
140 H CYS 20 HN CYS 20 -2.531 -6.887 0.156
141 HA CYS 20 HA CYS 20 -4.801 -7.728 -1.501
142 HB2 CYS 20 HB2 CYS 20 -2.789 -9.426 0.017
143 HB3 CYS 20 HB3 CYS 20 -3.798 -9.922 -1.334
144 H ASN 21 H ASN 21 -6.659 -8.776 -0.735
145 HA ASN 21 HA ASN 21 -7.198 -8.540 2.168
146 HB2 ASN 21 HB2 ASN 21 -9.493 -8.895 1.702
147 HB3 ASN 21 HB3 ASN 21 -8.893 -7.738 0.527
148 HD21 ASN 21 HD21 ASN 21 -8.801 -8.379 -1.687
149 HD22 ASN 21 HD22 ASN 21 -9.480 -9.912 -2.238
150 H1 PHE 1 H1 PHE 1 15.188 -2.503 -10.303
151 H2 PHE 1 H2 PHE 1 14.386 -1.783 -9.061
152 H3 PHE 1 H3 PHE 1 13.548 -2.469 -10.285
153 HA PHE 1 HA PHE 1 14.317 -4.652 -9.708
154 HB2 PHE 1 HB2 PHE 1 15.616 -3.283 -7.318
155 HB3 PHE 1 HB3 PHE 1 15.601 -5.013 -7.653
156 HD1 PHE 1 HD2 PHE 1 16.673 -5.816 -9.915
157 HD2 PHE 1 HD1 PHE 1 17.454 -1.983 -8.080
158 HE1 PHE 1 HE2 PHE 1 18.768 -5.596 -11.236
159 HE2 PHE 1 HE1 PHE 1 19.552 -1.787 -9.387
160 HZ PHE 1 HZ PHE 1 20.203 -3.590 -10.974
161 H VAL 2 H VAL 2 13.727 -5.489 -7.010
162 HA VAL 2 HA VAL 2 10.910 -5.214 -6.983
163 HB VAL 2 HB VAL 2 10.906 -6.237 -4.750
164 HG11 VAL 2 HG11 VAL 2 12.838 -7.606 -6.656
165 HG12 VAL 2 HG12 VAL 2 11.072 -7.601 -6.818
166 HG13 VAL 2 HG13 VAL 2 11.828 -8.374 -5.418
167 HG21 VAL 2 HG21 VAL 2 13.954 -6.077 -4.872
168 HG22 VAL 2 HG22 VAL 2 12.886 -5.273 -3.695
169 HG23 VAL 2 HG23 VAL 2 13.010 -7.032 -3.714
170 H ASN 3 H ASN 3 13.341 -3.304 -5.244
171 HA ASN 3 HA ASN 3 11.323 -1.565 -3.982
172 HB2 ASN 3 HB2 ASN 3 14.365 -1.492 -4.139
173 HB3 ASN 3 HB3 ASN 3 13.385 -0.259 -3.345
174 HD21 ASN 3 HD21 ASN 3 12.085 -0.868 -1.432
175 HD22 ASN 3 HD22 ASN 3 12.612 -2.255 -0.489
176 H GLN 4 H GLN 4 10.328 0.025 -5.175
177 HA GLN 4 HA GLN 4 11.777 1.727 -7.064
178 HB2 GLN 4 HB2 GLN 4 11.135 -0.581 -8.253
179 HB3 GLN 4 HB3 GLN 4 9.501 0.074 -8.225
180 HG2 GLN 4 HG2 GLN 4 10.505 2.127 -9.476
181 HG3 GLN 4 HG3 GLN 4 11.965 1.167 -9.645
182 HE21 GLN 4 HE22 GLN 4 8.499 1.408 -10.494
183 HE22 GLN 4 HE21 GLN 4 8.593 0.278 -11.849
184 H HIS 5 H HIS 5 10.278 3.414 -8.036
185 HA HIS 5 HA HIS 5 7.909 4.027 -6.355
186 HB2 HIS 5 HB2 HIS 5 9.152 5.368 -8.792
187 HB3 HIS 5 HB3 HIS 5 7.600 5.828 -8.134
188 HD1 HIS 5 HD1 HIS 5 7.688 7.756 -6.400
189 HD2 HIS 5 HD2 HIS 5 11.311 5.665 -6.904
190 HE1 HIS 5 HE1 HIS 5 9.440 9.043 -5.105
191 H LEU 6 H LEU 6 5.820 3.698 -7.084
192 HA LEU 6 HA LEU 6 5.262 2.636 -9.804
193 HB2 LEU 6 HB2 LEU 6 4.509 1.318 -7.158
194 HB3 LEU 6 HB3 LEU 6 3.626 0.999 -8.644
195 HG LEU 6 HG LEU 6 6.615 0.477 -8.365
196 HD11 LEU 6 HD11 LEU 6 5.435 -0.862 -6.708
197 HD12 LEU 6 HD12 LEU 6 5.960 -1.906 -8.043
198 HD13 LEU 6 HD13 LEU 6 4.259 -1.398 -7.931
199 HD21 LEU 6 HD21 LEU 6 4.530 -0.517 -10.365
200 HD22 LEU 6 HD22 LEU 6 6.237 -1.006 -10.322
201 HD23 LEU 6 HD23 LEU 6 5.815 0.665 -10.710
202 H CYS 7 HN CYS 7 3.446 3.622 -10.640
203 HA CYS 7 HA CYS 7 1.560 4.987 -8.788
204 HB2 CYS 7 HB2 CYS 7 3.592 6.422 -9.524
205 HB3 CYS 7 HB3 CYS 7 2.818 6.475 -11.104
206 H GLY 8 H GLY 8 -0.466 5.459 -9.627
207 HA2 GLY 8 HA2 GLY 8 -2.362 5.192 -10.923
208 HA3 GLY 8 HA3 GLY 8 -1.273 5.549 -12.269
209 H SER 9 H SER 9 -1.641 4.183 -13.854
210 HA SER 9 HA SER 9 -2.867 1.633 -13.746
211 HB2 SER 9 HB2 SER 9 -1.890 1.376 -16.042
212 HB3 SER 9 HB3 SER 9 -2.815 2.867 -15.787
213 HG SER 9 HG SER 9 -0.828 3.256 -16.893
214 H HIS 10 H HIS 10 0.692 2.388 -13.810
215 HA HIS 10 HA HIS 10 1.475 -0.373 -13.797
216 HB2 HIS 10 HB2 HIS 10 2.935 2.154 -12.945
217 HB3 HIS 10 HB3 HIS 10 3.676 0.573 -13.130
218 HD1 HIS 10 HD1 HIS 10 2.032 -0.111 -15.964
219 HD2 HIS 10 HD2 HIS 10 4.402 3.233 -14.934
220 HE1 HIS 10 HE1 HIS 10 2.882 0.868 -18.145
221 H LEU 11 H LEU 11 0.673 1.800 -11.113
222 HA LEU 11 HA LEU 11 1.532 -0.085 -9.056
223 HB2 LEU 11 HB2 LEU 11 1.358 2.324 -8.649
224 HB3 LEU 11 HB3 LEU 11 -0.368 2.296 -8.981
225 HG LEU 11 HG LEU 11 -0.778 0.977 -6.969
226 HD11 LEU 11 HD11 LEU 11 2.240 1.083 -6.513
227 HD12 LEU 11 HD12 LEU 11 1.279 -0.380 -6.796
228 HD13 LEU 11 HD13 LEU 11 1.039 0.552 -5.319
229 HD21 LEU 11 HD21 LEU 11 -0.584 3.490 -6.927
230 HD22 LEU 11 HD22 LEU 11 1.089 3.321 -6.390
231 HD23 LEU 11 HD23 LEU 11 -0.239 2.734 -5.366
232 H VAL 12 H VAL 12 -1.616 0.664 -10.602
233 HA VAL 12 HA VAL 12 -3.144 -1.342 -9.259
234 HB VAL 12 HB VAL 12 -3.463 -0.104 -12.014
235 HG11 VAL 12 HG11 VAL 12 -4.612 -2.242 -12.171
236 HG12 VAL 12 HG12 VAL 12 -5.370 -1.999 -10.578
237 HG13 VAL 12 HG13 VAL 12 -5.820 -0.976 -11.963
238 HG21 VAL 12 HG21 VAL 12 -3.785 1.397 -10.046
239 HG22 VAL 12 HG22 VAL 12 -5.296 1.140 -10.929
240 HG23 VAL 12 HG23 VAL 12 -5.006 0.279 -9.405
241 H GLU 13 H GLU 13 -1.216 -1.594 -12.307
242 HA GLU 13 HA GLU 13 -1.624 -4.372 -12.783
243 HB2 GLU 13 HB2 GLU 13 0.732 -2.540 -13.371
244 HB3 GLU 13 HB3 GLU 13 0.683 -4.227 -13.874
245 HG2 GLU 13 HG2 GLU 13 -1.318 -3.846 -15.204
246 HG3 GLU 13 HG3 GLU 13 -1.379 -2.153 -14.723
247 H ALA 14 H ALA 14 0.905 -2.761 -10.731
248 HA ALA 14 HA ALA 14 2.163 -5.192 -9.927
249 HB1 ALA 14 HB1 ALA 14 3.176 -3.827 -8.178
250 HB2 ALA 14 HB2 ALA 14 3.146 -2.916 -9.699
251 HB3 ALA 14 HB3 ALA 14 1.970 -2.548 -8.420
252 H LEU 15 H LEU 15 -0.583 -3.404 -8.403
253 HA LEU 15 HA LEU 15 -0.955 -5.234 -6.223
254 HB2 LEU 15 HB2 LEU 15 -2.728 -3.254 -7.682
255 HB3 LEU 15 HB3 LEU 15 -3.459 -4.450 -6.657
256 HG LEU 15 HG LEU 15 -3.346 -2.539 -5.366
257 HD11 LEU 15 HD11 LEU 15 -2.104 -3.144 -3.427
258 HD12 LEU 15 HD12 LEU 15 -0.977 -4.140 -4.349
259 HD13 LEU 15 HD13 LEU 15 -2.677 -4.644 -4.182
260 HD21 LEU 15 HD21 LEU 15 -1.740 -1.218 -6.581
261 HD22 LEU 15 HD22 LEU 15 -0.399 -2.249 -6.019
262 HD23 LEU 15 HD23 LEU 15 -1.313 -1.249 -4.864
263 H TYR 16 H TYR 16 -2.366 -5.350 -9.540
264 HA TYR 16 HA TYR 16 -3.798 -7.799 -9.163
265 HB2 TYR 16 HB2 TYR 16 -2.691 -6.322 -11.551
266 HB3 TYR 16 HB3 TYR 16 -3.175 -7.992 -11.765
267 HD1 TYR 16 HD1 TYR 16 -5.547 -8.671 -10.833
268 HD2 TYR 16 HD2 TYR 16 -4.351 -4.679 -11.935
269 HE1 TYR 16 HE1 TYR 16 -7.935 -8.047 -11.159
270 HE2 TYR 16 HE2 TYR 16 -6.728 -4.046 -12.263
271 HH TYR 16 HH TYR 16 -8.923 -4.743 -12.179
272 H LEU 17 H LEU 17 -0.433 -7.278 -10.307
273 HA LEU 17 HA LEU 17 0.154 -10.061 -10.699
274 HB2 LEU 17 HB2 LEU 17 1.891 -7.591 -10.297
275 HB3 LEU 17 HB3 LEU 17 2.573 -9.169 -10.640
276 HG LEU 17 HG LEU 17 0.549 -7.851 -12.501
277 HD11 LEU 17 HD11 LEU 17 2.534 -6.398 -12.273
278 HD12 LEU 17 HD12 LEU 17 2.483 -7.164 -13.867
279 HD13 LEU 17 HD13 LEU 17 3.597 -7.782 -12.622
280 HD21 LEU 17 HD21 LEU 17 1.493 -9.406 -14.169
281 HD22 LEU 17 HD22 LEU 17 0.769 -10.280 -12.809
282 HD23 LEU 17 HD23 LEU 17 2.535 -10.124 -12.920
283 H VAL 18 H VAL 18 0.735 -7.962 -7.864
284 HA VAL 18 HA VAL 18 2.040 -10.047 -6.347
285 HB VAL 18 HB VAL 18 0.766 -7.422 -5.487
286 HG11 VAL 18 HG11 VAL 18 0.693 -8.913 -3.514
287 HG12 VAL 18 HG12 VAL 18 2.390 -9.370 -3.784
288 HG13 VAL 18 HG13 VAL 18 1.964 -7.714 -3.324
289 HG21 VAL 18 HG21 VAL 18 3.665 -8.377 -5.728
290 HG22 VAL 18 HG22 VAL 18 2.861 -7.278 -6.852
291 HG23 VAL 18 HG23 VAL 18 3.143 -6.767 -5.183
292 H CYS 19 HN CYS 19 -1.361 -8.755 -6.170
293 HA CYS 19 HA CYS 19 -1.989 -10.679 -4.089
294 HB2 CYS 19 HB2 CYS 19 -3.797 -8.792 -5.609
295 HB3 CYS 19 HB3 CYS 19 -4.202 -9.676 -4.136
296 H GLY 20 H GLY 20 -2.557 -10.647 -7.589
297 HA2 GLY 20 HA2 GLY 20 -3.295 -12.315 -9.013
298 HA3 GLY 20 HA3 GLY 20 -2.985 -13.464 -7.699
299 H GLU 21 H GLU 21 -4.736 -14.711 -7.658
300 HA GLU 21 HA GLU 21 -7.399 -13.894 -8.249
301 HB2 GLU 21 HB2 GLU 21 -8.042 -16.129 -7.567
302 HB3 GLU 21 HB3 GLU 21 -6.566 -16.184 -8.528
303 HG2 GLU 21 HG2 GLU 21 -5.219 -16.435 -6.429
304 HG3 GLU 21 HG3 GLU 21 -6.710 -16.409 -5.485
305 H ARG 22 H ARG 22 -5.658 -13.414 -5.301
306 HA ARG 22 HA ARG 22 -7.831 -13.568 -3.421
307 HB2 ARG 22 HB2 ARG 22 -5.270 -11.908 -3.391
308 HB3 ARG 22 HB3 ARG 22 -6.366 -12.083 -2.028
309 HG2 ARG 22 HG2 ARG 22 -5.983 -14.478 -1.912
310 HG3 ARG 22 HG3 ARG 22 -4.931 -14.440 -3.335
311 HD2 ARG 22 HD2 ARG 22 -4.363 -12.831 -0.806
312 HD3 ARG 22 HD3 ARG 22 -3.786 -14.485 -1.054
313 HE ARG 22 HE ARG 22 -2.992 -13.136 -3.344
314 HH11 ARG 22 HH11 ARG 22 -2.307 -12.615 0.113
315 HH12 ARG 22 HH12 ARG 22 -0.671 -12.074 -0.232
316 HH21 ARG 22 HH21 ARG 22 -0.787 -12.591 -3.619
317 HH22 ARG 22 HH22 ARG 22 0.145 -12.087 -2.237
318 H GLY 23 H GLY 23 -6.663 -10.940 -5.525
319 HA2 GLY 23 HA2 GLY 23 -7.669 -8.891 -6.087
320 HA3 GLY 23 HA3 GLY 23 -9.002 -9.218 -4.963
321 H PHE 24 H PHE 24 -8.048 -6.718 -5.030
322 HA PHE 24 HA PHE 24 -6.481 -6.337 -2.528
323 HB2 PHE 24 HB2 PHE 24 -4.960 -4.865 -3.752
324 HB3 PHE 24 HB3 PHE 24 -4.970 -6.490 -4.426
325 HD1 PHE 24 HD2 PHE 24 -5.987 -2.982 -5.067
326 HD2 PHE 24 HD1 PHE 24 -5.709 -6.975 -6.665
327 HE1 PHE 24 HE2 PHE 24 -6.412 -2.100 -7.352
328 HE2 PHE 24 HE1 PHE 24 -6.149 -6.094 -8.930
329 HZ PHE 24 HZ PHE 24 -6.500 -3.659 -9.286
330 H PHE 25 H PHE 25 -6.277 -4.127 -1.853
331 HA PHE 25 HA PHE 25 -8.615 -2.376 -2.460
332 HB2 PHE 25 HB2 PHE 25 -8.239 -2.974 -0.087
333 HB3 PHE 25 HB3 PHE 25 -6.604 -2.329 -0.171
334 HD1 PHE 25 HD1 PHE 25 -10.220 -1.465 -0.169
335 HD2 PHE 25 HD2 PHE 25 -6.197 0.100 -0.170
336 HE1 PHE 25 HE1 PHE 25 -11.092 0.797 0.354
337 HE2 PHE 25 HE2 PHE 25 -7.072 2.354 0.344
338 HZ PHE 25 HZ PHE 25 -9.519 2.713 0.615
339 H TYR 26 H TYR 26 -8.304 -0.340 -3.283
340 HA TYR 26 HA TYR 26 -5.684 0.926 -3.501
341 HB2 TYR 26 HB2 TYR 26 -5.551 -0.575 -5.411
342 HB3 TYR 26 HB3 TYR 26 -7.147 -0.109 -5.957
343 HD1 TYR 26 HD2 TYR 26 -7.547 2.160 -6.971
344 HD2 TYR 26 HD1 TYR 26 -3.595 0.730 -5.993
345 HE1 TYR 26 HE2 TYR 26 -6.560 3.948 -8.377
346 HE2 TYR 26 HE1 TYR 26 -2.612 2.507 -7.429
347 HH TYR 26 HH TYR 26 -4.623 4.892 -9.185
348 H THR 27 H THR 27 -5.954 3.048 -3.272
349 HA THR 27 HA THR 27 -8.052 4.515 -4.669
350 HB THR 27 HB THR 27 -8.557 5.927 -2.625
351 HG1 THR 27 HG1 THR 27 -8.215 4.944 -0.635
352 HG21 THR 27 HG21 THR 27 -9.501 3.056 -2.308
353 HG22 THR 27 HG22 THR 27 -10.169 4.204 -3.495
354 HG23 THR 27 HG23 THR 27 -10.308 4.538 -1.764
355 HA PRO 28 HA PRO 28 -4.669 7.352 -5.118
356 HB2 PRO 28 HB2 PRO 28 -5.895 9.723 -5.678
357 HB3 PRO 28 HB3 PRO 28 -5.927 8.324 -6.786
358 HG2 PRO 28 HG2 PRO 28 -8.036 9.131 -4.755
359 HG3 PRO 28 HG3 PRO 28 -8.254 8.740 -6.499
360 HD2 PRO 28 HD2 PRO 28 -8.687 6.894 -4.560
361 HD3 PRO 28 HD3 PRO 28 -7.937 6.435 -6.115
362 H LYS 29 H LYS 29 -3.939 9.657 -4.378
363 HA LYS 29 HA LYS 29 -3.310 9.326 -1.686
364 HB2 LYS 29 HB2 LYS 29 -3.162 11.956 -3.237
365 HB3 LYS 29 HB3 LYS 29 -2.206 11.488 -1.833
366 HG2 LYS 29 HG2 LYS 29 -1.333 9.538 -3.313
367 HG3 LYS 29 HG3 LYS 29 -2.035 10.429 -4.671
368 HD2 LYS 29 HD2 LYS 29 -0.668 12.430 -4.010
369 HD3 LYS 29 HD3 LYS 29 0.082 11.464 -2.726
370 HE2 LYS 29 HE2 LYS 29 0.884 9.836 -4.482
371 HE3 LYS 29 HE3 LYS 29 0.189 10.892 -5.724
372 HZ1 LYS 29 HZ1 LYS 29 2.496 11.409 -5.508
373 HZ2 LYS 29 HZ2 LYS 29 2.423 11.530 -3.881
374 HZ3 LYS 29 HZ3 LYS 29 1.702 12.665 -4.828
375 H THR 30 H THR 30 -5.807 11.457 -3.000
376 HA THR 30 HA THR 30 -6.960 11.942 -0.301
377 HB THR 30 HB THR 30 -6.221 14.229 -2.173
378 HG1 THR 30 HG1 THR 30 -4.746 14.732 -0.531
379 HG21 THR 30 HG21 THR 30 -7.406 14.184 0.647
380 HG22 THR 30 HG22 THR 30 -8.254 14.695 -0.826
381 HG23 THR 30 HG23 THR 30 -6.885 15.639 -0.234
382 H LYS 31 H LYS 31 -7.578 13.520 -3.459
383 HA LYS 31 HA LYS 31 -10.430 12.920 -3.155
384 HB2 LYS 31 HB2 LYS 31 -9.576 15.163 -3.745
385 HB3 LYS 31 HB3 LYS 31 -8.914 14.516 -5.255
386 HG2 LYS 31 HG2 LYS 31 -11.179 13.963 -6.050
387 HG3 LYS 31 HG3 LYS 31 -11.868 14.417 -4.484
388 HD2 LYS 31 HD2 LYS 31 -12.268 16.184 -6.084
389 HD3 LYS 31 HD3 LYS 31 -11.154 16.758 -4.837
390 HE2 LYS 31 HE2 LYS 31 -9.237 16.385 -6.371
391 HE3 LYS 31 HE3 LYS 31 -10.336 15.758 -7.608
392 HZ1 LYS 31 HZ1 LYS 31 -11.396 17.950 -7.675
393 HZ2 LYS 31 HZ2 LYS 31 -9.800 18.093 -7.987
394 HZ3 LYS 31 HZ3 LYS 31 -10.383 18.524 -6.526
395 H ARG 32 H ARG 32 -11.552 11.394 -4.169
396 HA ARG 32 HA ARG 32 -10.298 9.594 -6.148
397 HB2 ARG 32 HB2 ARG 32 -11.452 8.590 -4.244
398 HB3 ARG 32 HB3 ARG 32 -12.928 9.482 -4.624
399 HG2 ARG 32 HG2 ARG 32 -13.110 7.138 -5.308
400 HG3 ARG 32 HG3 ARG 32 -13.229 8.217 -6.689
401 HD2 ARG 32 HD2 ARG 32 -10.729 7.735 -7.121
402 HD3 ARG 32 HD3 ARG 32 -10.845 6.511 -5.859
403 HE ARG 32 HE ARG 32 -12.021 5.132 -7.310
404 HH11 ARG 32 HH11 ARG 32 -11.931 8.345 -8.805
405 HH12 ARG 32 HH12 ARG 32 -12.461 7.701 -10.336
406 HH21 ARG 32 HH21 ARG 32 -12.709 4.444 -9.301
407 HH22 ARG 32 HH22 ARG 32 -12.900 5.581 -10.601
Start of MODEL 34
1 H1 GLY 1 1H GLY 1 -1.331 4.761 3.448
2 H2 GLY 1 2H GLY 1 -2.642 5.711 3.688
3 H3 GLY 1 3H GLY 1 -1.286 6.347 3.025
4 HA2 GLY 1 HA2 GLY 1 -2.978 4.274 1.781
5 HA3 GLY 1 HA3 GLY 1 -2.990 5.996 1.344
6 H ILE 2 H ILE 2 -1.809 3.061 0.353
7 HA ILE 2 HA ILE 2 0.946 3.558 0.013
8 HB ILE 2 HB ILE 2 -0.014 1.373 0.106
9 HG12 ILE 2 HG12 ILE 2 1.424 1.524 -2.540
10 HG13 ILE 2 HG13 ILE 2 2.242 1.925 -1.022
11 HG21 ILE 2 HG21 ILE 2 -1.089 0.285 -1.847
12 HG22 ILE 2 HG22 ILE 2 -2.049 1.595 -1.181
13 HG23 ILE 2 HG23 ILE 2 -1.124 1.845 -2.681
14 HD11 ILE 2 HD11 ILE 2 2.648 -0.401 -1.627
15 HD12 ILE 2 HD12 ILE 2 1.740 -0.296 -0.111
16 HD13 ILE 2 HD13 ILE 2 0.905 -0.749 -1.613
17 H VAL 3 H VAL 3 -1.585 4.635 -2.222
18 HA VAL 3 HA VAL 3 0.219 5.121 -4.382
19 HB VAL 3 HB VAL 3 -2.334 5.210 -4.461
20 HG11 VAL 3 HG11 VAL 3 -1.915 8.178 -3.867
21 HG12 VAL 3 HG12 VAL 3 -3.420 7.365 -4.301
22 HG13 VAL 3 HG13 VAL 3 -2.657 7.029 -2.737
23 HG21 VAL 3 HG21 VAL 3 -2.353 6.607 -6.442
24 HG22 VAL 3 HG22 VAL 3 -0.838 7.397 -5.969
25 HG23 VAL 3 HG23 VAL 3 -0.840 5.680 -6.409
26 H GLU 4 H GLU 4 -0.324 7.000 -1.441
27 HA GLU 4 HA GLU 4 1.211 9.317 -2.353
28 HB2 GLU 4 HB2 GLU 4 -0.536 9.352 -0.563
29 HB3 GLU 4 HB3 GLU 4 0.542 8.406 0.473
30 HG2 GLU 4 HG2 GLU 4 2.200 10.227 0.448
31 HG3 GLU 4 HG3 GLU 4 1.206 11.145 -0.688
32 H GLN 5 H GLN 5 1.912 6.258 -0.699
33 HA GLN 5 HA GLN 5 4.590 7.013 0.143
34 HB2 GLN 5 HB2 GLN 5 3.083 5.477 1.385
35 HB3 GLN 5 HB3 GLN 5 3.209 4.291 0.077
36 HG2 GLN 5 HG2 GLN 5 5.616 4.044 0.481
37 HG3 GLN 5 HG3 GLN 5 5.572 5.333 1.694
38 HE21 GLN 5 HE21 GLN 5 4.335 4.901 3.756
39 HE22 GLN 5 HE22 GLN 5 4.126 3.221 4.236
40 H CYS 6 HN CYS 6 3.418 4.575 -2.290
41 HA CYS 6 HA CYS 6 6.068 3.955 -3.255
42 HB2 CYS 6 HB2 CYS 6 3.245 3.509 -4.279
43 HB3 CYS 6 HB3 CYS 6 4.656 3.052 -5.214
44 H CYS 7 HN CYS 7 3.901 6.572 -4.078
45 HA CYS 7 HA CYS 7 5.215 7.120 -6.668
46 HB2 CYS 7 HB2 CYS 7 2.747 7.365 -6.135
47 HB3 CYS 7 HB3 CYS 7 3.167 8.816 -5.219
48 H THR 8 H THR 8 5.366 8.351 -3.353
49 HA THR 8 HA THR 8 7.135 10.617 -4.069
50 HB THR 8 HB THR 8 6.286 9.636 -1.309
51 HG1 THR 8 HG1 THR 8 4.441 10.251 -2.130
52 HG21 THR 8 HG21 THR 8 6.766 11.989 -0.672
53 HG22 THR 8 HG22 THR 8 7.378 12.310 -2.310
54 HG23 THR 8 HG23 THR 8 8.214 11.165 -1.243
55 H SER 9 H SER 9 7.316 7.524 -2.286
56 HA SER 9 HA SER 9 10.309 7.701 -2.204
57 HB2 SER 9 HB2 SER 9 8.354 6.192 -0.419
58 HB3 SER 9 HB3 SER 9 10.114 6.186 -0.257
59 HG SER 9 HG SER 9 10.061 8.382 0.287
60 H ILE 10 H ILE 10 11.380 5.508 -2.159
61 HA ILE 10 HA ILE 10 10.371 3.746 -4.315
62 HB ILE 10 HB ILE 10 12.825 3.639 -2.511
63 HG12 ILE 10 HG12 ILE 10 12.441 4.309 -5.474
64 HG13 ILE 10 HG13 ILE 10 12.836 5.465 -4.194
65 HG21 ILE 10 HG21 ILE 10 13.651 1.806 -3.907
66 HG22 ILE 10 HG22 ILE 10 12.136 1.337 -3.163
67 HG23 ILE 10 HG23 ILE 10 12.154 1.850 -4.870
68 HD11 ILE 10 HD11 ILE 10 15.004 4.258 -3.833
69 HD12 ILE 10 HD12 ILE 10 14.640 3.281 -5.282
70 HD13 ILE 10 HD13 ILE 10 14.828 5.031 -5.421
71 H CYS 11 HN CYS 11 9.353 1.797 -4.041
72 HA CYS 11 HA CYS 11 9.001 0.731 -1.285
73 HB2 CYS 11 HB2 CYS 11 6.661 0.520 -1.542
74 HB3 CYS 11 HB3 CYS 11 7.057 2.174 -1.969
75 H SER 12 H SER 12 7.897 -1.472 -1.389
76 HA SER 12 HA SER 12 9.048 -3.162 -3.594
77 HB2 SER 12 HB2 SER 12 10.481 -3.078 -1.552
78 HB3 SER 12 HB3 SER 12 9.130 -3.712 -0.601
79 HG SER 12 HG SER 12 10.593 -5.371 -1.321
80 H LEU 13 H LEU 13 8.235 -5.409 -3.520
81 HA LEU 13 HA LEU 13 5.391 -5.529 -3.847
82 HB2 LEU 13 HB2 LEU 13 7.377 -7.791 -3.420
83 HB3 LEU 13 HB3 LEU 13 5.785 -7.929 -4.158
84 HG LEU 13 HG LEU 13 8.222 -6.497 -5.311
85 HD11 LEU 13 HD11 LEU 13 8.325 -8.956 -5.391
86 HD12 LEU 13 HD12 LEU 13 8.151 -8.270 -7.013
87 HD13 LEU 13 HD13 LEU 13 6.748 -9.011 -6.203
88 HD21 LEU 13 HD21 LEU 13 6.251 -5.252 -6.024
89 HD22 LEU 13 HD22 LEU 13 5.434 -6.765 -6.510
90 HD23 LEU 13 HD23 LEU 13 6.876 -6.196 -7.375
91 H TYR 14 H TYR 14 7.438 -6.169 -1.052
92 HA TYR 14 HA TYR 14 5.548 -7.505 0.619
93 HB2 TYR 14 HB2 TYR 14 7.962 -7.369 1.053
94 HB3 TYR 14 HB3 TYR 14 7.852 -5.625 1.263
95 HD1 TYR 14 HD1 TYR 14 6.608 -8.879 2.668
96 HD2 TYR 14 HD2 TYR 14 7.416 -4.705 3.406
97 HE1 TYR 14 HE1 TYR 14 6.129 -9.217 5.086
98 HE2 TYR 14 HE2 TYR 14 6.920 -5.041 5.824
99 HH TYR 14 HH TYR 14 5.987 -8.236 7.170
100 H GLN 15 H GLN 15 5.857 -4.082 -0.220
101 HA GLN 15 HA GLN 15 3.942 -3.176 1.857
102 HB2 GLN 15 HB2 GLN 15 5.338 -1.767 -0.450
103 HB3 GLN 15 HB3 GLN 15 4.174 -0.981 0.606
104 HG2 GLN 15 HG2 GLN 15 5.550 -1.113 2.499
105 HG3 GLN 15 HG3 GLN 15 6.531 -2.421 1.846
106 HE21 GLN 15 HE21 GLN 15 6.033 1.135 1.689
107 HE22 GLN 15 HE22 GLN 15 7.605 1.407 0.946
108 H LEU 16 H LEU 16 3.915 -4.028 -1.628
109 HA LEU 16 HA LEU 16 1.161 -3.285 -2.069
110 HB2 LEU 16 HB2 LEU 16 2.852 -5.448 -3.400
111 HB3 LEU 16 HB3 LEU 16 1.316 -4.857 -3.988
112 HG LEU 16 HG LEU 16 3.892 -3.234 -3.752
113 HD11 LEU 16 HD11 LEU 16 3.947 -4.922 -5.545
114 HD12 LEU 16 HD12 LEU 16 3.875 -3.298 -6.217
115 HD13 LEU 16 HD13 LEU 16 2.411 -4.301 -6.189
116 HD21 LEU 16 HD21 LEU 16 1.921 -1.753 -3.497
117 HD22 LEU 16 HD22 LEU 16 1.235 -2.408 -4.996
118 HD23 LEU 16 HD23 LEU 16 2.754 -1.485 -5.020
119 H GLU 17 H GLU 17 2.638 -6.374 -0.997
120 HA GLU 17 HA GLU 17 0.278 -7.887 -0.673
121 HB2 GLU 17 HB2 GLU 17 2.853 -7.892 0.949
122 HB3 GLU 17 HB3 GLU 17 1.537 -9.029 1.226
123 HG2 GLU 17 HG2 GLU 17 1.698 -9.776 -1.152
124 HG3 GLU 17 HG3 GLU 17 3.117 -8.748 -1.357
125 H ASN 18 H ASN 18 1.537 -5.356 1.531
126 HA ASN 18 HA ASN 18 -0.146 -5.946 3.756
127 HB2 ASN 18 HB2 ASN 18 1.903 -4.561 3.818
128 HB3 ASN 18 HB3 ASN 18 1.074 -3.314 2.892
129 HD21 ASN 18 HD21 ASN 18 -0.304 -1.840 3.980
130 HD22 ASN 18 HD22 ASN 18 -0.580 -1.935 5.705
131 H TYR 19 H TYR 19 -0.859 -4.279 0.744
132 HA TYR 19 HA TYR 19 -3.464 -3.253 1.766
133 HB2 TYR 19 HB2 TYR 19 -1.700 -2.563 -0.589
134 HB3 TYR 19 HB3 TYR 19 -3.383 -2.075 -0.535
135 HD1 TYR 19 HD1 TYR 19 -0.124 -1.729 1.243
136 HD2 TYR 19 HD2 TYR 19 -4.167 -0.314 0.912
137 HE1 TYR 19 HE1 TYR 19 0.452 0.214 2.682
138 HE2 TYR 19 HE2 TYR 19 -3.602 1.656 2.310
139 HH TYR 19 HH TYR 19 -0.305 2.161 3.636
140 H CYS 20 HN CYS 20 -2.450 -6.088 0.517
141 HA CYS 20 HA CYS 20 -4.859 -6.689 -1.117
142 HB2 CYS 20 HB2 CYS 20 -2.590 -7.579 -1.693
143 HB3 CYS 20 HB3 CYS 20 -2.580 -8.450 -0.163
144 H ASN 21 H ASN 21 -5.875 -8.907 -0.408
145 HA ASN 21 HA ASN 21 -6.516 -8.893 2.512
146 HB2 ASN 21 HB2 ASN 21 -8.656 -9.884 2.007
147 HB3 ASN 21 HB3 ASN 21 -8.511 -8.373 1.122
148 HD21 ASN 21 HD21 ASN 21 -8.259 -8.476 -1.213
149 HD22 ASN 21 HD22 ASN 21 -8.744 -9.909 -2.067
150 H1 PHE 1 H1 PHE 1 15.196 -4.106 -9.814
151 H2 PHE 1 H2 PHE 1 15.995 -3.608 -8.480
152 H3 PHE 1 H3 PHE 1 16.705 -4.673 -9.502
153 HA PHE 1 HA PHE 1 15.111 -6.363 -9.014
154 HB2 PHE 1 HB2 PHE 1 17.218 -6.123 -7.675
155 HB3 PHE 1 HB3 PHE 1 16.324 -5.196 -6.480
156 HD1 PHE 1 HD2 PHE 1 15.587 -8.439 -8.339
157 HD2 PHE 1 HD1 PHE 1 16.175 -6.485 -4.525
158 HE1 PHE 1 HE2 PHE 1 15.000 -10.532 -7.164
159 HE2 PHE 1 HE1 PHE 1 15.592 -8.592 -3.365
160 HZ PHE 1 HZ PHE 1 15.001 -10.624 -4.685
161 H VAL 2 H VAL 2 13.850 -6.510 -6.300
162 HA VAL 2 HA VAL 2 11.259 -5.716 -7.117
163 HB VAL 2 HB VAL 2 10.465 -6.346 -4.872
164 HG11 VAL 2 HG11 VAL 2 11.076 -8.687 -4.975
165 HG12 VAL 2 HG12 VAL 2 10.858 -8.056 -6.612
166 HG13 VAL 2 HG13 VAL 2 12.492 -8.334 -5.969
167 HG21 VAL 2 HG21 VAL 2 13.395 -6.735 -4.131
168 HG22 VAL 2 HG22 VAL 2 12.308 -5.503 -3.462
169 HG23 VAL 2 HG23 VAL 2 11.989 -7.217 -3.165
170 H ASN 3 H ASN 3 13.592 -3.807 -5.366
171 HA ASN 3 HA ASN 3 11.692 -1.895 -4.268
172 HB2 ASN 3 HB2 ASN 3 14.716 -1.829 -4.586
173 HB3 ASN 3 HB3 ASN 3 13.757 -0.625 -3.728
174 HD21 ASN 3 HD21 ASN 3 12.656 -1.230 -1.724
175 HD22 ASN 3 HD22 ASN 3 13.207 -2.649 -0.847
176 H GLN 4 H GLN 4 10.636 -0.375 -5.483
177 HA GLN 4 HA GLN 4 12.022 1.275 -7.442
178 HB2 GLN 4 HB2 GLN 4 11.357 -0.957 -8.623
179 HB3 GLN 4 HB3 GLN 4 9.695 -0.382 -8.500
180 HG2 GLN 4 HG2 GLN 4 10.256 1.562 -9.904
181 HG3 GLN 4 HG3 GLN 4 11.971 1.137 -9.856
182 HE21 GLN 4 HE22 GLN 4 12.552 -1.086 -10.867
183 HE22 GLN 4 HE21 GLN 4 11.569 -1.589 -12.235
184 H HIS 5 H HIS 5 10.442 2.987 -8.369
185 HA HIS 5 HA HIS 5 8.389 3.770 -6.392
186 HB2 HIS 5 HB2 HIS 5 9.277 5.002 -9.040
187 HB3 HIS 5 HB3 HIS 5 8.041 5.663 -7.976
188 HD1 HIS 5 HD1 HIS 5 8.986 6.468 -5.460
189 HD2 HIS 5 HD2 HIS 5 11.751 5.724 -8.537
190 HE1 HIS 5 HE1 HIS 5 11.099 7.762 -4.849
191 H LEU 6 H LEU 6 6.178 3.801 -6.876
192 HA LEU 6 HA LEU 6 5.166 2.765 -9.471
193 HB2 LEU 6 HB2 LEU 6 4.498 1.565 -6.744
194 HB3 LEU 6 HB3 LEU 6 3.511 1.322 -8.170
195 HG LEU 6 HG LEU 6 6.425 0.455 -7.973
196 HD11 LEU 6 HD11 LEU 6 5.498 -1.811 -7.618
197 HD12 LEU 6 HD12 LEU 6 3.856 -1.127 -7.540
198 HD13 LEU 6 HD13 LEU 6 5.064 -0.707 -6.310
199 HD21 LEU 6 HD21 LEU 6 4.201 -0.262 -9.949
200 HD22 LEU 6 HD22 LEU 6 5.828 -0.970 -9.923
201 HD23 LEU 6 HD23 LEU 6 5.630 0.741 -10.312
202 H CYS 7 HN CYS 7 3.428 3.917 -10.153
203 HA CYS 7 HA CYS 7 1.689 5.318 -8.214
204 HB2 CYS 7 HB2 CYS 7 3.818 6.656 -8.761
205 HB3 CYS 7 HB3 CYS 7 3.132 6.906 -10.361
206 H GLY 8 H GLY 8 -0.328 5.840 -8.998
207 HA2 GLY 8 HA2 GLY 8 -2.209 5.757 -10.340
208 HA3 GLY 8 HA3 GLY 8 -1.110 6.099 -11.686
209 H SER 9 H SER 9 -1.814 4.768 -13.264
210 HA SER 9 HA SER 9 -2.913 2.208 -13.100
211 HB2 SER 9 HB2 SER 9 -1.134 3.282 -15.314
212 HB3 SER 9 HB3 SER 9 -2.364 2.011 -15.451
213 HG SER 9 HG SER 9 -3.161 4.046 -16.174
214 H HIS 10 H HIS 10 0.576 3.059 -13.068
215 HA HIS 10 HA HIS 10 1.554 0.385 -13.480
216 HB2 HIS 10 HB2 HIS 10 2.952 2.602 -11.933
217 HB3 HIS 10 HB3 HIS 10 3.671 1.310 -12.876
218 HD1 HIS 10 HD1 HIS 10 2.383 4.823 -13.177
219 HD2 HIS 10 HD2 HIS 10 3.448 1.605 -15.662
220 HE1 HIS 10 HE1 HIS 10 2.668 5.797 -15.528
221 H LEU 11 H LEU 11 0.841 2.289 -10.530
222 HA LEU 11 HA LEU 11 1.584 0.216 -8.655
223 HB2 LEU 11 HB2 LEU 11 1.417 2.620 -8.031
224 HB3 LEU 11 HB3 LEU 11 -0.301 2.607 -8.399
225 HG LEU 11 HG LEU 11 -0.674 0.954 -6.534
226 HD11 LEU 11 HD11 LEU 11 2.251 1.507 -5.874
227 HD12 LEU 11 HD12 LEU 11 1.600 -0.046 -6.442
228 HD13 LEU 11 HD13 LEU 11 1.099 0.598 -4.877
229 HD21 LEU 11 HD21 LEU 11 0.720 3.559 -5.838
230 HD22 LEU 11 HD22 LEU 11 -0.302 2.613 -4.731
231 HD23 LEU 11 HD23 LEU 11 -1.011 3.341 -6.183
232 H VAL 12 H VAL 12 -1.511 1.166 -10.133
233 HA VAL 12 HA VAL 12 -3.147 -0.748 -8.804
234 HB VAL 12 HB VAL 12 -3.433 0.675 -11.466
235 HG11 VAL 12 HG11 VAL 12 -4.735 -1.361 -11.770
236 HG12 VAL 12 HG12 VAL 12 -5.487 -1.166 -10.175
237 HG13 VAL 12 HG13 VAL 12 -5.830 -0.012 -11.483
238 HG21 VAL 12 HG21 VAL 12 -5.137 1.971 -10.268
239 HG22 VAL 12 HG22 VAL 12 -4.916 0.963 -8.820
240 HG23 VAL 12 HG23 VAL 12 -3.612 2.030 -9.372
241 H GLU 13 H GLU 13 -1.410 -1.038 -11.965
242 HA GLU 13 HA GLU 13 -2.166 -3.731 -12.476
243 HB2 GLU 13 HB2 GLU 13 -1.205 -2.177 -14.139
244 HB3 GLU 13 HB3 GLU 13 0.353 -2.221 -13.295
245 HG2 GLU 13 HG2 GLU 13 0.589 -4.610 -13.791
246 HG3 GLU 13 HG3 GLU 13 -1.036 -4.659 -14.489
247 H ALA 14 H ALA 14 0.768 -2.432 -10.764
248 HA ALA 14 HA ALA 14 1.923 -5.004 -10.255
249 HB1 ALA 14 HB1 ALA 14 3.151 -2.852 -10.166
250 HB2 ALA 14 HB2 ALA 14 2.208 -2.370 -8.738
251 HB3 ALA 14 HB3 ALA 14 3.319 -3.752 -8.649
252 H LEU 15 H LEU 15 -0.311 -3.011 -8.283
253 HA LEU 15 HA LEU 15 -0.343 -4.772 -6.027
254 HB2 LEU 15 HB2 LEU 15 -0.941 -2.332 -6.079
255 HB3 LEU 15 HB3 LEU 15 -2.404 -2.736 -6.974
256 HG LEU 15 HG LEU 15 -3.216 -4.030 -5.026
257 HD11 LEU 15 HD11 LEU 15 -1.149 -4.754 -3.969
258 HD12 LEU 15 HD12 LEU 15 -2.120 -3.825 -2.824
259 HD13 LEU 15 HD13 LEU 15 -0.711 -3.070 -3.602
260 HD21 LEU 15 HD21 LEU 15 -2.326 -1.198 -4.305
261 HD22 LEU 15 HD22 LEU 15 -3.670 -2.093 -3.569
262 HD23 LEU 15 HD23 LEU 15 -3.760 -1.613 -5.277
263 H TYR 16 H TYR 16 -2.412 -4.668 -8.983
264 HA TYR 16 HA TYR 16 -4.051 -6.928 -8.190
265 HB2 TYR 16 HB2 TYR 16 -3.389 -5.642 -10.861
266 HB3 TYR 16 HB3 TYR 16 -4.262 -7.152 -10.782
267 HD1 TYR 16 HD2 TYR 16 -6.193 -6.956 -8.660
268 HD2 TYR 16 HD1 TYR 16 -4.917 -3.979 -11.511
269 HE1 TYR 16 HE2 TYR 16 -8.389 -5.811 -8.447
270 HE2 TYR 16 HE1 TYR 16 -7.124 -2.855 -11.318
271 HH TYR 16 HH TYR 16 -9.195 -2.857 -10.319
272 H LEU 17 H LEU 17 -0.942 -6.743 -10.018
273 HA LEU 17 HA LEU 17 -0.759 -9.564 -10.490
274 HB2 LEU 17 HB2 LEU 17 1.324 -7.358 -10.297
275 HB3 LEU 17 HB3 LEU 17 1.762 -9.017 -10.666
276 HG LEU 17 HG LEU 17 -0.227 -7.430 -12.349
277 HD11 LEU 17 HD11 LEU 17 2.765 -7.867 -12.765
278 HD12 LEU 17 HD12 LEU 17 1.978 -6.325 -12.367
279 HD13 LEU 17 HD13 LEU 17 1.654 -7.109 -13.925
280 HD21 LEU 17 HD21 LEU 17 0.294 -9.139 -14.064
281 HD22 LEU 17 HD22 LEU 17 -0.449 -9.870 -12.637
282 HD23 LEU 17 HD23 LEU 17 1.304 -10.011 -12.889
283 H VAL 18 H VAL 18 0.489 -7.637 -7.742
284 HA VAL 18 HA VAL 18 1.537 -9.930 -6.349
285 HB VAL 18 HB VAL 18 0.805 -7.137 -5.424
286 HG11 VAL 18 HG11 VAL 18 1.984 -9.370 -3.720
287 HG12 VAL 18 HG12 VAL 18 2.025 -7.647 -3.302
288 HG13 VAL 18 HG13 VAL 18 0.474 -8.475 -3.417
289 HG21 VAL 18 HG21 VAL 18 3.432 -8.673 -5.789
290 HG22 VAL 18 HG22 VAL 18 2.818 -7.380 -6.842
291 HG23 VAL 18 HG23 VAL 18 3.303 -7.019 -5.179
292 H CYS 19 HN CYS 19 -1.691 -8.300 -6.068
293 HA CYS 19 HA CYS 19 -2.475 -10.090 -3.914
294 HB2 CYS 19 HB2 CYS 19 -3.123 -7.667 -4.232
295 HB3 CYS 19 HB3 CYS 19 -4.207 -8.185 -5.518
296 H GLY 20 H GLY 20 -2.678 -10.299 -7.338
297 HA2 GLY 20 HA2 GLY 20 -3.222 -12.103 -8.679
298 HA3 GLY 20 HA3 GLY 20 -3.574 -13.038 -7.216
299 H GLU 21 H GLU 21 -5.332 -13.981 -8.096
300 HA GLU 21 HA GLU 21 -7.448 -12.750 -9.515
301 HB2 GLU 21 HB2 GLU 21 -6.792 -15.158 -9.521
302 HB3 GLU 21 HB3 GLU 21 -7.465 -15.335 -7.898
303 HG2 GLU 21 HG2 GLU 21 -9.717 -14.831 -8.759
304 HG3 GLU 21 HG3 GLU 21 -9.058 -14.467 -10.357
305 H ARG 22 H ARG 22 -6.898 -12.868 -6.055
306 HA ARG 22 HA ARG 22 -9.578 -12.626 -5.128
307 HB2 ARG 22 HB2 ARG 22 -7.016 -11.576 -3.840
308 HB3 ARG 22 HB3 ARG 22 -8.582 -11.815 -3.045
309 HG2 ARG 22 HG2 ARG 22 -8.408 -14.279 -3.780
310 HG3 ARG 22 HG3 ARG 22 -6.708 -13.941 -4.132
311 HD2 ARG 22 HD2 ARG 22 -8.095 -13.598 -1.442
312 HD3 ARG 22 HD3 ARG 22 -7.071 -14.953 -1.883
313 HE ARG 22 HE ARG 22 -6.214 -12.385 -0.900
314 HH11 ARG 22 HH21 ARG 22 -5.044 -14.922 -3.085
315 HH12 ARG 22 HH22 ARG 22 -3.388 -14.601 -2.664
316 HH21 ARG 22 HH11 ARG 22 -4.235 -12.084 -0.389
317 HH22 ARG 22 HH12 ARG 22 -2.900 -12.962 -1.142
318 H GLY 23 H GLY 23 -7.357 -10.181 -6.371
319 HA2 GLY 23 HA2 GLY 23 -7.666 -7.945 -6.931
320 HA3 GLY 23 HA3 GLY 23 -9.372 -8.048 -6.443
321 H PHE 24 H PHE 24 -7.146 -6.031 -5.853
322 HA PHE 24 HA PHE 24 -6.648 -6.315 -3.002
323 HB2 PHE 24 HB2 PHE 24 -5.500 -4.173 -3.200
324 HB3 PHE 24 HB3 PHE 24 -4.970 -5.366 -4.359
325 HD1 PHE 24 HD1 PHE 24 -7.122 -2.313 -4.001
326 HD2 PHE 24 HD2 PHE 24 -4.924 -4.860 -6.693
327 HE1 PHE 24 HE1 PHE 24 -7.343 -0.611 -5.795
328 HE2 PHE 24 HE2 PHE 24 -5.118 -3.143 -8.465
329 HZ PHE 24 HZ PHE 24 -6.340 -1.020 -8.025
330 H PHE 25 H PHE 25 -7.241 -4.892 -1.334
331 HA PHE 25 HA PHE 25 -10.087 -4.159 -1.380
332 HB2 PHE 25 HB2 PHE 25 -9.030 -5.502 0.422
333 HB3 PHE 25 HB3 PHE 25 -7.963 -4.158 0.805
334 HD1 PHE 25 HD2 PHE 25 -11.575 -5.166 0.645
335 HD2 PHE 25 HD1 PHE 25 -8.657 -2.488 2.358
336 HE1 PHE 25 HE2 PHE 25 -13.290 -4.307 2.227
337 HE2 PHE 25 HE1 PHE 25 -10.368 -1.648 3.954
338 HZ PHE 25 HZ PHE 25 -12.689 -2.548 3.879
339 H TYR 26 H TYR 26 -7.012 -2.541 -1.523
340 HA TYR 26 HA TYR 26 -7.605 -0.005 -0.460
341 HB2 TYR 26 HB2 TYR 26 -5.378 -0.986 -0.860
342 HB3 TYR 26 HB3 TYR 26 -5.634 -0.923 -2.590
343 HD1 TYR 26 HD1 TYR 26 -5.819 1.460 0.334
344 HD2 TYR 26 HD2 TYR 26 -4.536 0.794 -3.732
345 HE1 TYR 26 HE1 TYR 26 -4.844 3.743 0.266
346 HE2 TYR 26 HE2 TYR 26 -3.528 3.066 -3.787
347 HH TYR 26 HH TYR 26 -3.798 5.328 -1.018
348 H THR 27 H THR 27 -7.771 2.059 -1.450
349 HA THR 27 HA THR 27 -8.502 2.273 -4.290
350 HB THR 27 HB THR 27 -10.192 4.071 -3.695
351 HG1 THR 27 HG1 THR 27 -11.232 3.578 -1.626
352 HG21 THR 27 HG21 THR 27 -10.824 1.810 -4.546
353 HG22 THR 27 HG22 THR 27 -12.035 2.497 -3.457
354 HG23 THR 27 HG23 THR 27 -10.935 1.233 -2.871
355 HA PRO 28 HA PRO 28 -5.375 5.373 -3.546
356 HB2 PRO 28 HB2 PRO 28 -5.015 6.384 -6.035
357 HB3 PRO 28 HB3 PRO 28 -4.588 4.693 -5.630
358 HG2 PRO 28 HG2 PRO 28 -7.126 5.708 -6.920
359 HG3 PRO 28 HG3 PRO 28 -6.075 4.368 -7.479
360 HD2 PRO 28 HD2 PRO 28 -8.321 3.929 -5.980
361 HD3 PRO 28 HD3 PRO 28 -6.847 2.931 -5.785
362 H LYS 29 H LYS 29 -4.999 7.671 -3.580
363 HA LYS 29 HA LYS 29 -7.148 9.256 -2.693
364 HB2 LYS 29 HB2 LYS 29 -4.429 10.036 -3.836
365 HB3 LYS 29 HB3 LYS 29 -5.517 11.143 -2.990
366 HG2 LYS 29 HG2 LYS 29 -5.370 9.786 -0.935
367 HG3 LYS 29 HG3 LYS 29 -4.327 8.621 -1.756
368 HD2 LYS 29 HD2 LYS 29 -2.923 10.046 -0.434
369 HD3 LYS 29 HD3 LYS 29 -2.641 10.416 -2.146
370 HE2 LYS 29 HE2 LYS 29 -4.220 12.391 -1.902
371 HE3 LYS 29 HE3 LYS 29 -4.371 12.008 -0.185
372 HZ1 LYS 29 HZ1 LYS 29 -1.875 12.809 -1.576
373 HZ2 LYS 29 HZ2 LYS 29 -1.931 12.351 -0.005
374 HZ3 LYS 29 HZ3 LYS 29 -2.716 13.705 -0.501
375 H THR 30 H THR 30 -6.320 8.609 -5.991
376 HA THR 30 HA THR 30 -7.623 10.973 -7.158
377 HB THR 30 HB THR 30 -7.171 9.845 -9.301
378 HG1 THR 30 HG1 THR 30 -5.769 7.892 -8.988
379 HG21 THR 30 HG21 THR 30 -5.382 11.209 -8.180
380 HG22 THR 30 HG22 THR 30 -4.750 9.940 -9.239
381 HG23 THR 30 HG23 THR 30 -4.721 9.718 -7.477
382 H LYS 31 H LYS 31 -8.707 7.899 -6.014
383 HA LYS 31 HA LYS 31 -11.304 8.181 -7.491
384 HB2 LYS 31 HB2 LYS 31 -10.035 5.732 -6.186
385 HB3 LYS 31 HB3 LYS 31 -11.546 5.750 -7.091
386 HG2 LYS 31 HG2 LYS 31 -8.797 6.366 -8.247
387 HG3 LYS 31 HG3 LYS 31 -9.642 4.832 -8.390
388 HD2 LYS 31 HD2 LYS 31 -11.389 5.825 -9.742
389 HD3 LYS 31 HD3 LYS 31 -10.765 7.461 -9.489
390 HE2 LYS 31 HE2 LYS 31 -9.182 5.232 -10.831
391 HE3 LYS 31 HE3 LYS 31 -10.172 6.392 -11.722
392 HZ1 LYS 31 HZ1 LYS 31 -8.802 8.180 -10.863
393 HZ2 LYS 31 HZ2 LYS 31 -7.846 7.081 -11.605
394 HZ3 LYS 31 HZ3 LYS 31 -7.894 7.153 -9.969
395 H ARG 32 H ARG 32 -9.907 8.051 -4.287
396 HA ARG 32 HA ARG 32 -12.343 7.612 -2.783
397 HB2 ARG 32 HB2 ARG 32 -9.675 8.861 -2.020
398 HB3 ARG 32 HB3 ARG 32 -11.001 8.585 -0.884
399 HG2 ARG 32 HG2 ARG 32 -10.949 6.148 -1.396
400 HG3 ARG 32 HG3 ARG 32 -9.604 6.413 -2.510
401 HD2 ARG 32 HD2 ARG 32 -8.574 5.685 -0.518
402 HD3 ARG 32 HD3 ARG 32 -8.321 7.424 -0.538
403 HE ARG 32 HE ARG 32 -9.728 7.640 1.324
404 HH11 ARG 32 HH12 ARG 32 -9.999 4.340 0.140
405 HH12 ARG 32 HH11 ARG 32 -10.779 3.796 1.603
406 HH21 ARG 32 HH22 ARG 32 -10.754 6.871 3.138
407 HH22 ARG 32 HH21 ARG 32 -11.212 5.194 3.235
Start of MODEL 35
1 H1 GLY 1 1H GLY 1 -3.388 7.384 0.159
2 H2 GLY 1 2H GLY 1 -2.786 6.530 1.422
3 H3 GLY 1 3H GLY 1 -4.403 6.815 1.315
4 HA2 GLY 1 HA2 GLY 1 -3.914 4.535 0.702
5 HA3 GLY 1 HA3 GLY 1 -4.590 5.454 -0.650
6 H ILE 2 H ILE 2 -3.405 3.403 -1.587
7 HA ILE 2 HA ILE 2 -0.533 3.426 -1.545
8 HB ILE 2 HB ILE 2 -2.038 1.426 -1.702
9 HG12 ILE 2 HG12 ILE 2 -0.601 0.031 -3.038
10 HG13 ILE 2 HG13 ILE 2 0.121 1.434 -3.828
11 HG21 ILE 2 HG21 ILE 2 -2.863 0.607 -3.809
12 HG22 ILE 2 HG22 ILE 2 -3.551 2.205 -3.507
13 HG23 ILE 2 HG23 ILE 2 -2.226 2.018 -4.675
14 HD11 ILE 2 HD11 ILE 2 0.281 0.943 -0.820
15 HD12 ILE 2 HD12 ILE 2 1.504 0.387 -1.970
16 HD13 ILE 2 HD13 ILE 2 1.219 2.115 -1.782
17 H VAL 3 H VAL 3 -2.778 4.768 -3.888
18 HA VAL 3 HA VAL 3 -1.153 4.555 -6.118
19 HB VAL 3 HB VAL 3 -3.505 5.078 -6.242
20 HG11 VAL 3 HG11 VAL 3 -4.428 7.290 -6.073
21 HG12 VAL 3 HG12 VAL 3 -3.620 6.928 -4.539
22 HG13 VAL 3 HG13 VAL 3 -2.855 8.007 -5.729
23 HG21 VAL 3 HG21 VAL 3 -2.037 5.337 -8.215
24 HG22 VAL 3 HG22 VAL 3 -3.414 6.451 -8.255
25 HG23 VAL 3 HG23 VAL 3 -1.801 7.054 -7.819
26 H GLU 4 H GLU 4 -1.277 7.628 -4.138
27 HA GLU 4 HA GLU 4 1.030 8.658 -5.587
28 HB2 GLU 4 HB2 GLU 4 -0.295 9.607 -3.026
29 HB3 GLU 4 HB3 GLU 4 1.079 10.404 -3.820
30 HG2 GLU 4 HG2 GLU 4 -0.328 10.506 -5.941
31 HG3 GLU 4 HG3 GLU 4 -1.712 10.022 -4.957
32 H GLN 5 H GLN 5 0.639 6.697 -2.674
33 HA GLN 5 HA GLN 5 3.192 7.184 -1.494
34 HB2 GLN 5 HB2 GLN 5 1.197 6.165 -0.380
35 HB3 GLN 5 HB3 GLN 5 1.423 4.701 -1.341
36 HG2 GLN 5 HG2 GLN 5 3.598 4.299 -0.255
37 HG3 GLN 5 HG3 GLN 5 3.475 5.841 0.604
38 HE21 GLN 5 HE21 GLN 5 1.969 2.560 0.321
39 HE22 GLN 5 HE22 GLN 5 1.243 2.631 1.921
40 H CYS 6 HN CYS 6 2.189 4.882 -4.039
41 HA CYS 6 HA CYS 6 5.010 3.981 -4.363
42 HB2 CYS 6 HB2 CYS 6 2.376 3.166 -5.604
43 HB3 CYS 6 HB3 CYS 6 3.933 2.590 -6.179
44 H CYS 7 HN CYS 7 2.744 6.208 -6.017
45 HA CYS 7 HA CYS 7 4.346 6.362 -8.430
46 HB2 CYS 7 HB2 CYS 7 2.236 8.191 -7.260
47 HB3 CYS 7 HB3 CYS 7 3.072 8.554 -8.760
48 H THR 8 H THR 8 3.978 8.852 -5.814
49 HA THR 8 HA THR 8 6.299 10.295 -6.932
50 HB THR 8 HB THR 8 5.653 12.074 -5.310
51 HG1 THR 8 HG1 THR 8 4.586 10.781 -3.768
52 HG21 THR 8 HG21 THR 8 3.361 11.100 -7.074
53 HG22 THR 8 HG22 THR 8 4.761 12.039 -7.633
54 HG23 THR 8 HG23 THR 8 3.617 12.746 -6.473
55 H SER 9 H SER 9 5.798 8.081 -4.377
56 HA SER 9 HA SER 9 8.579 8.634 -3.386
57 HB2 SER 9 HB2 SER 9 6.208 7.575 -1.816
58 HB3 SER 9 HB3 SER 9 7.870 7.630 -1.223
59 HG SER 9 HG SER 9 6.659 9.462 -0.527
60 H ILE 10 H ILE 10 9.597 6.632 -2.436
61 HA ILE 10 HA ILE 10 9.341 4.320 -4.276
62 HB ILE 10 HB ILE 10 11.222 4.959 -1.964
63 HG12 ILE 10 HG12 ILE 10 11.630 4.912 -4.990
64 HG13 ILE 10 HG13 ILE 10 11.533 6.361 -3.990
65 HG21 ILE 10 HG21 ILE 10 10.912 2.475 -2.208
66 HG22 ILE 10 HG22 ILE 10 11.413 2.639 -3.908
67 HG23 ILE 10 HG23 ILE 10 12.543 3.003 -2.589
68 HD11 ILE 10 HD11 ILE 10 13.819 6.004 -4.503
69 HD12 ILE 10 HD12 ILE 10 13.606 5.623 -2.781
70 HD13 ILE 10 HD13 ILE 10 13.771 4.318 -3.985
71 H CYS 11 HN CYS 11 8.356 2.392 -3.781
72 HA CYS 11 HA CYS 11 7.464 1.952 -0.972
73 HB2 CYS 11 HB2 CYS 11 5.291 1.391 -1.590
74 HB3 CYS 11 HB3 CYS 11 5.644 2.897 -2.424
75 H SER 12 H SER 12 6.787 -0.222 -0.489
76 HA SER 12 HA SER 12 8.498 -2.303 -1.813
77 HB2 SER 12 HB2 SER 12 9.102 -1.693 0.496
78 HB3 SER 12 HB3 SER 12 7.467 -2.098 1.036
79 HG SER 12 HG SER 12 9.072 -3.812 1.301
80 H LEU 13 H LEU 13 7.713 -4.503 -1.778
81 HA LEU 13 HA LEU 13 5.015 -4.846 -2.748
82 HB2 LEU 13 HB2 LEU 13 6.933 -6.945 -1.667
83 HB3 LEU 13 HB3 LEU 13 5.538 -7.227 -2.704
84 HG LEU 13 HG LEU 13 8.125 -5.815 -3.461
85 HD11 LEU 13 HD11 LEU 13 8.265 -8.270 -3.291
86 HD12 LEU 13 HD12 LEU 13 8.435 -7.724 -4.970
87 HD13 LEU 13 HD13 LEU 13 6.895 -8.433 -4.416
88 HD21 LEU 13 HD21 LEU 13 6.320 -4.707 -4.688
89 HD22 LEU 13 HD22 LEU 13 5.681 -6.285 -5.211
90 HD23 LEU 13 HD23 LEU 13 7.266 -5.719 -5.773
91 H TYR 14 H TYR 14 6.457 -4.998 0.472
92 HA TYR 14 HA TYR 14 4.281 -6.233 1.877
93 HB2 TYR 14 HB2 TYR 14 6.536 -5.918 2.801
94 HB3 TYR 14 HB3 TYR 14 6.349 -4.169 2.727
95 HD1 TYR 14 HD1 TYR 14 4.853 -7.253 4.258
96 HD2 TYR 14 HD2 TYR 14 5.469 -3.001 4.606
97 HE1 TYR 14 HE1 TYR 14 3.865 -7.302 6.545
98 HE2 TYR 14 HE2 TYR 14 4.476 -3.038 6.891
99 HH TYR 14 HH TYR 14 3.284 -6.075 8.402
100 H GLN 15 H GLN 15 4.676 -2.950 0.640
101 HA GLN 15 HA GLN 15 2.317 -1.906 2.106
102 HB2 GLN 15 HB2 GLN 15 4.104 -0.681 -0.038
103 HB3 GLN 15 HB3 GLN 15 2.753 0.140 0.742
104 HG2 GLN 15 HG2 GLN 15 3.822 0.054 2.915
105 HG3 GLN 15 HG3 GLN 15 5.112 -0.994 2.323
106 HE21 GLN 15 HE21 GLN 15 4.203 2.338 2.745
107 HE22 GLN 15 HE22 GLN 15 5.578 2.986 1.857
108 H LEU 16 H LEU 16 3.136 -3.182 -1.142
109 HA LEU 16 HA LEU 16 0.528 -2.689 -2.287
110 HB2 LEU 16 HB2 LEU 16 2.534 -4.903 -2.888
111 HB3 LEU 16 HB3 LEU 16 1.150 -4.489 -3.864
112 HG LEU 16 HG LEU 16 3.608 -2.762 -3.367
113 HD11 LEU 16 HD11 LEU 16 3.970 -3.068 -5.782
114 HD12 LEU 16 HD12 LEU 16 2.513 -4.086 -5.887
115 HD13 LEU 16 HD13 LEU 16 3.918 -4.622 -4.947
116 HD21 LEU 16 HD21 LEU 16 1.145 -2.088 -5.031
117 HD22 LEU 16 HD22 LEU 16 2.665 -1.178 -5.016
118 HD23 LEU 16 HD23 LEU 16 1.673 -1.252 -3.561
119 H GLU 17 H GLU 17 1.820 -5.493 -0.483
120 HA GLU 17 HA GLU 17 -0.466 -7.115 -0.424
121 HB2 GLU 17 HB2 GLU 17 1.735 -6.717 1.629
122 HB3 GLU 17 HB3 GLU 17 0.411 -7.860 1.866
123 HG2 GLU 17 HG2 GLU 17 1.000 -8.977 -0.286
124 HG3 GLU 17 HG3 GLU 17 2.405 -7.923 -0.423
125 H ASN 18 H ASN 18 0.140 -4.225 1.607
126 HA ASN 18 HA ASN 18 -1.959 -4.618 3.489
127 HB2 ASN 18 HB2 ASN 18 -0.171 -3.018 3.840
128 HB3 ASN 18 HB3 ASN 18 -0.654 -2.109 2.411
129 HD21 ASN 18 HD21 ASN 18 -2.598 -0.800 2.455
130 HD22 ASN 18 HD22 ASN 18 -3.331 -0.373 3.983
131 H TYR 19 H TYR 19 -2.063 -3.452 0.148
132 HA TYR 19 HA TYR 19 -4.939 -2.701 0.425
133 HB2 TYR 19 HB2 TYR 19 -2.836 -1.880 -1.587
134 HB3 TYR 19 HB3 TYR 19 -4.544 -1.465 -1.709
135 HD1 TYR 19 HD2 TYR 19 -5.665 -0.138 0.134
136 HD2 TYR 19 HD1 TYR 19 -1.400 -0.628 -0.088
137 HE1 TYR 19 HE2 TYR 19 -5.366 1.815 1.647
138 HE2 TYR 19 HE1 TYR 19 -1.084 1.362 1.379
139 HH TYR 19 HH TYR 19 -3.870 3.169 2.741
140 H CYS 20 HN CYS 20 -3.505 -5.498 -0.212
141 HA CYS 20 HA CYS 20 -5.070 -6.370 -2.547
142 HB2 CYS 20 HB2 CYS 20 -3.684 -7.930 -0.332
143 HB3 CYS 20 HB3 CYS 20 -4.447 -8.634 -1.759
144 H ASN 21 H ASN 21 -6.899 -7.682 -2.500
145 HA ASN 21 HA ASN 21 -8.878 -7.094 -0.474
146 HB2 ASN 21 HB2 ASN 21 -9.366 -7.431 -2.906
147 HB3 ASN 21 HB3 ASN 21 -8.915 -9.127 -2.734
148 HD21 ASN 21 HD22 ASN 21 -11.195 -6.677 -1.449
149 HD22 ASN 21 HD21 ASN 21 -12.487 -7.835 -1.164
150 H1 PHE 1 H1 PHE 1 12.056 -4.788 -8.616
151 H2 PHE 1 H2 PHE 1 11.178 -3.501 -9.141
152 H3 PHE 1 H3 PHE 1 11.151 -4.904 -9.981
153 HA PHE 1 HA PHE 1 9.121 -4.583 -8.756
154 HB2 PHE 1 HB2 PHE 1 10.792 -6.981 -7.914
155 HB3 PHE 1 HB3 PHE 1 9.079 -6.799 -7.579
156 HD1 PHE 1 HD2 PHE 1 7.448 -6.470 -9.550
157 HD2 PHE 1 HD1 PHE 1 11.512 -7.860 -10.037
158 HE1 PHE 1 HE2 PHE 1 6.884 -7.367 -11.793
159 HE2 PHE 1 HE1 PHE 1 10.922 -8.774 -12.266
160 HZ PHE 1 HZ PHE 1 8.615 -8.532 -13.147
161 H VAL 2 H VAL 2 11.037 -5.894 -6.007
162 HA VAL 2 HA VAL 2 9.616 -4.201 -4.185
163 HB VAL 2 HB VAL 2 10.519 -6.459 -3.660
164 HG11 VAL 2 HG11 VAL 2 12.814 -6.251 -4.593
165 HG12 VAL 2 HG12 VAL 2 13.223 -5.102 -3.289
166 HG13 VAL 2 HG13 VAL 2 12.808 -6.785 -2.906
167 HG21 VAL 2 HG21 VAL 2 11.425 -4.344 -1.670
168 HG22 VAL 2 HG22 VAL 2 9.742 -4.869 -1.909
169 HG23 VAL 2 HG23 VAL 2 10.960 -6.020 -1.330
170 H ASN 3 H ASN 3 10.245 -2.461 -2.953
171 HA ASN 3 HA ASN 3 11.168 -0.489 -2.422
172 HB2 ASN 3 HB2 ASN 3 12.893 -2.135 -1.602
173 HB3 ASN 3 HB3 ASN 3 13.853 -1.780 -3.037
174 HD21 ASN 3 HD21 ASN 3 14.544 0.569 -3.305
175 HD22 ASN 3 HD22 ASN 3 14.809 1.503 -1.835
176 H GLN 4 H GLN 4 9.996 0.126 -4.481
177 HA GLN 4 HA GLN 4 11.791 1.531 -6.397
178 HB2 GLN 4 HB2 GLN 4 11.309 -0.982 -7.028
179 HB3 GLN 4 HB3 GLN 4 9.670 -0.432 -7.341
180 HG2 GLN 4 HG2 GLN 4 10.823 1.291 -8.972
181 HG3 GLN 4 HG3 GLN 4 12.246 0.270 -8.782
182 HE21 GLN 4 HE21 GLN 4 9.062 0.583 -10.234
183 HE22 GLN 4 HE22 GLN 4 9.126 -0.947 -11.115
184 H HIS 5 H HIS 5 10.560 2.982 -7.881
185 HA HIS 5 HA HIS 5 8.001 4.000 -6.809
186 HB2 HIS 5 HB2 HIS 5 9.687 4.697 -9.262
187 HB3 HIS 5 HB3 HIS 5 8.096 5.365 -8.958
188 HD1 HIS 5 HD1 HIS 5 7.901 7.342 -7.252
189 HD2 HIS 5 HD2 HIS 5 11.711 5.587 -7.619
190 HE1 HIS 5 HE1 HIS 5 9.540 8.914 -6.083
191 H LEU 6 H LEU 6 6.021 3.458 -7.698
192 HA LEU 6 HA LEU 6 5.779 1.874 -10.195
193 HB2 LEU 6 HB2 LEU 6 4.778 1.039 -7.441
194 HB3 LEU 6 HB3 LEU 6 4.076 0.409 -8.918
195 HG LEU 6 HG LEU 6 7.027 0.076 -8.217
196 HD11 LEU 6 HD11 LEU 6 4.663 -1.775 -7.711
197 HD12 LEU 6 HD12 LEU 6 5.691 -0.989 -6.489
198 HD13 LEU 6 HD13 LEU 6 6.376 -2.231 -7.546
199 HD21 LEU 6 HD21 LEU 6 5.198 -1.342 -10.227
200 HD22 LEU 6 HD22 LEU 6 6.899 -1.748 -9.902
201 HD23 LEU 6 HD23 LEU 6 6.489 -0.189 -10.636
202 H CYS 7 HN CYS 7 4.261 2.890 -11.415
203 HA CYS 7 HA CYS 7 1.997 4.259 -10.050
204 HB2 CYS 7 HB2 CYS 7 4.076 5.732 -10.536
205 HB3 CYS 7 HB3 CYS 7 3.633 5.584 -12.231
206 H GLY 8 H GLY 8 0.147 4.628 -11.267
207 HA2 GLY 8 HA2 GLY 8 -1.501 4.122 -12.817
208 HA3 GLY 8 HA3 GLY 8 -0.214 4.332 -14.007
209 H SER 9 H SER 9 -0.409 2.727 -15.419
210 HA SER 9 HA SER 9 -1.434 0.155 -15.116
211 HB2 SER 9 HB2 SER 9 0.834 0.994 -16.956
212 HB3 SER 9 HB3 SER 9 -0.275 -0.375 -17.182
213 HG SER 9 HG SER 9 -0.914 1.470 -18.417
214 H HIS 10 H HIS 10 1.975 1.198 -14.452
215 HA HIS 10 HA HIS 10 2.929 -1.516 -14.104
216 HB2 HIS 10 HB2 HIS 10 4.060 1.128 -13.108
217 HB3 HIS 10 HB3 HIS 10 4.914 -0.400 -13.224
218 HD1 HIS 10 HD1 HIS 10 4.211 -1.274 -16.191
219 HD2 HIS 10 HD2 HIS 10 5.111 2.642 -14.938
220 HE1 HIS 10 HE1 HIS 10 5.018 -0.023 -18.258
221 H LEU 11 H LEU 11 1.585 0.912 -11.874
222 HA LEU 11 HA LEU 11 2.005 -0.681 -9.480
223 HB2 LEU 11 HB2 LEU 11 1.653 1.773 -9.463
224 HB3 LEU 11 HB3 LEU 11 0.020 1.565 -10.072
225 HG LEU 11 HG LEU 11 -0.635 0.407 -7.998
226 HD11 LEU 11 HD11 LEU 11 1.452 -0.668 -7.313
227 HD12 LEU 11 HD12 LEU 11 0.909 0.420 -6.036
228 HD13 LEU 11 HD13 LEU 11 2.236 0.914 -7.104
229 HD21 LEU 11 HD21 LEU 11 -0.477 2.349 -6.484
230 HD22 LEU 11 HD22 LEU 11 -0.848 2.860 -8.142
231 HD23 LEU 11 HD23 LEU 11 0.794 3.054 -7.505
232 H VAL 12 H VAL 12 -0.688 -0.340 -11.778
233 HA VAL 12 HA VAL 12 -2.495 -2.194 -10.558
234 HB VAL 12 HB VAL 12 -2.121 -1.266 -13.416
235 HG11 VAL 12 HG11 VAL 12 -3.022 -3.491 -13.731
236 HG12 VAL 12 HG12 VAL 12 -4.217 -3.235 -12.444
237 HG13 VAL 12 HG13 VAL 12 -4.323 -2.325 -13.964
238 HG21 VAL 12 HG21 VAL 12 -4.333 -0.822 -11.365
239 HG22 VAL 12 HG22 VAL 12 -3.069 0.342 -11.801
240 HG23 VAL 12 HG23 VAL 12 -4.274 -0.137 -13.000
241 H GLU 13 H GLU 13 0.064 -2.792 -13.059
242 HA GLU 13 HA GLU 13 -0.246 -5.621 -13.176
243 HB2 GLU 13 HB2 GLU 13 2.151 -3.801 -13.631
244 HB3 GLU 13 HB3 GLU 13 2.224 -5.547 -13.873
245 HG2 GLU 13 HG2 GLU 13 0.466 -5.463 -15.556
246 HG3 GLU 13 HG3 GLU 13 0.278 -3.729 -15.348
247 H ALA 14 H ALA 14 1.918 -3.646 -11.037
248 HA ALA 14 HA ALA 14 3.086 -5.876 -9.709
249 HB1 ALA 14 HB1 ALA 14 3.804 -4.215 -8.064
250 HB2 ALA 14 HB2 ALA 14 3.983 -3.567 -9.709
251 HB3 ALA 14 HB3 ALA 14 2.620 -3.041 -8.691
252 H LEU 15 H LEU 15 0.117 -4.004 -8.892
253 HA LEU 15 HA LEU 15 -0.443 -5.518 -6.498
254 HB2 LEU 15 HB2 LEU 15 -2.146 -3.790 -8.327
255 HB3 LEU 15 HB3 LEU 15 -2.794 -4.593 -6.898
256 HG LEU 15 HG LEU 15 -0.399 -2.751 -6.669
257 HD11 LEU 15 HD11 LEU 15 -2.241 -1.477 -7.714
258 HD12 LEU 15 HD12 LEU 15 -1.921 -0.936 -6.058
259 HD13 LEU 15 HD13 LEU 15 -3.331 -1.968 -6.395
260 HD21 LEU 15 HD21 LEU 15 -0.921 -4.272 -4.740
261 HD22 LEU 15 HD22 LEU 15 -2.558 -3.602 -4.670
262 HD23 LEU 15 HD23 LEU 15 -1.162 -2.565 -4.320
263 H TYR 16 H TYR 16 -1.482 -6.063 -9.929
264 HA TYR 16 HA TYR 16 -3.013 -8.418 -9.290
265 HB2 TYR 16 HB2 TYR 16 -1.608 -7.455 -11.801
266 HB3 TYR 16 HB3 TYR 16 -2.308 -9.060 -11.729
267 HD1 TYR 16 HD2 TYR 16 -4.815 -9.026 -10.528
268 HD2 TYR 16 HD1 TYR 16 -3.013 -5.971 -12.993
269 HE1 TYR 16 HE2 TYR 16 -7.069 -8.231 -11.182
270 HE2 TYR 16 HE1 TYR 16 -5.277 -5.176 -13.653
271 HH TYR 16 HH TYR 16 -8.277 -6.687 -12.398
272 H LEU 17 H LEU 17 0.492 -8.038 -9.956
273 HA LEU 17 HA LEU 17 1.103 -10.847 -9.771
274 HB2 LEU 17 HB2 LEU 17 2.764 -8.320 -9.427
275 HB3 LEU 17 HB3 LEU 17 3.464 -9.930 -9.324
276 HG LEU 17 HG LEU 17 1.959 -8.936 -11.781
277 HD11 LEU 17 HD11 LEU 17 3.952 -7.533 -11.370
278 HD12 LEU 17 HD12 LEU 17 4.188 -8.573 -12.783
279 HD13 LEU 17 HD13 LEU 17 4.958 -8.995 -11.232
280 HD21 LEU 17 HD21 LEU 17 2.058 -11.384 -11.652
281 HD22 LEU 17 HD22 LEU 17 3.808 -11.318 -11.347
282 HD23 LEU 17 HD23 LEU 17 3.153 -10.796 -12.912
283 H VAL 18 H VAL 18 1.234 -8.268 -7.274
284 HA VAL 18 HA VAL 18 2.132 -10.087 -5.220
285 HB VAL 18 HB VAL 18 0.995 -7.283 -5.089
286 HG11 VAL 18 HG11 VAL 18 0.439 -8.286 -2.925
287 HG12 VAL 18 HG12 VAL 18 2.083 -8.953 -2.781
288 HG13 VAL 18 HG13 VAL 18 1.808 -7.199 -2.737
289 HG21 VAL 18 HG21 VAL 18 3.350 -6.744 -4.482
290 HG22 VAL 18 HG22 VAL 18 3.789 -8.456 -4.635
291 HG23 VAL 18 HG23 VAL 18 3.280 -7.539 -6.066
292 H CYS 19 HN CYS 19 -1.169 -8.782 -5.949
293 HA CYS 19 HA CYS 19 -2.313 -10.175 -3.655
294 HB2 CYS 19 HB2 CYS 19 -3.696 -8.711 -5.927
295 HB3 CYS 19 HB3 CYS 19 -4.371 -9.138 -4.358
296 H GLY 20 H GLY 20 -2.008 -10.903 -7.080
297 HA2 GLY 20 HA2 GLY 20 -2.557 -12.804 -8.293
298 HA3 GLY 20 HA3 GLY 20 -3.124 -13.575 -6.793
299 H GLU 21 H GLU 21 -4.939 -14.410 -7.780
300 HA GLU 21 HA GLU 21 -6.837 -13.026 -9.363
301 HB2 GLU 21 HB2 GLU 21 -6.489 -15.498 -9.172
302 HB3 GLU 21 HB3 GLU 21 -7.258 -15.470 -7.585
303 HG2 GLU 21 HG2 GLU 21 -9.385 -14.750 -8.602
304 HG3 GLU 21 HG3 GLU 21 -8.596 -14.571 -10.174
305 H ARG 22 H ARG 22 -6.402 -12.896 -5.904
306 HA ARG 22 HA ARG 22 -9.006 -12.296 -4.980
307 HB2 ARG 22 HB2 ARG 22 -6.324 -11.216 -4.015
308 HB3 ARG 22 HB3 ARG 22 -7.844 -11.138 -3.120
309 HG2 ARG 22 HG2 ARG 22 -7.960 -13.608 -3.064
310 HG3 ARG 22 HG3 ARG 22 -6.394 -13.705 -3.891
311 HD2 ARG 22 HD2 ARG 22 -6.883 -12.338 -1.217
312 HD3 ARG 22 HD3 ARG 22 -6.224 -13.957 -1.412
313 HE ARG 22 HE ARG 22 -4.403 -12.768 -2.832
314 HH11 ARG 22 HH21 ARG 22 -5.906 -10.908 -0.218
315 HH12 ARG 22 HH22 ARG 22 -4.366 -10.433 0.442
316 HH21 ARG 22 HH11 ARG 22 -2.463 -12.039 -1.990
317 HH22 ARG 22 HH12 ARG 22 -2.456 -10.934 -0.648
318 H GLY 23 H GLY 23 -6.641 -10.191 -6.580
319 HA2 GLY 23 HA2 GLY 23 -6.898 -8.049 -7.497
320 HA3 GLY 23 HA3 GLY 23 -8.579 -8.008 -6.928
321 H PHE 24 H PHE 24 -7.698 -5.763 -6.621
322 HA PHE 24 HA PHE 24 -6.690 -5.282 -3.873
323 HB2 PHE 24 HB2 PHE 24 -5.034 -3.715 -4.908
324 HB3 PHE 24 HB3 PHE 24 -4.808 -5.401 -5.356
325 HD1 PHE 24 HD2 PHE 24 -6.100 -2.149 -6.621
326 HD2 PHE 24 HD1 PHE 24 -4.869 -6.150 -7.630
327 HE1 PHE 24 HE2 PHE 24 -6.203 -1.572 -9.038
328 HE2 PHE 24 HE1 PHE 24 -4.953 -5.567 -10.039
329 HZ PHE 24 HZ PHE 24 -5.642 -3.279 -10.742
330 H PHE 25 H PHE 25 -6.871 -3.045 -3.193
331 HA PHE 25 HA PHE 25 -9.460 -1.893 -3.996
332 HB2 PHE 25 HB2 PHE 25 -7.511 -1.201 -1.771
333 HB3 PHE 25 HB3 PHE 25 -9.124 -0.518 -1.962
334 HD1 PHE 25 HD1 PHE 25 -11.073 -2.381 -2.266
335 HD2 PHE 25 HD2 PHE 25 -7.338 -2.954 -0.194
336 HE1 PHE 25 HE1 PHE 25 -12.087 -4.223 -0.952
337 HE2 PHE 25 HE2 PHE 25 -8.354 -4.792 1.126
338 HZ PHE 25 HZ PHE 25 -10.730 -5.430 0.757
339 H TYR 26 H TYR 26 -6.065 -1.005 -4.419
340 HA TYR 26 HA TYR 26 -5.020 0.774 -5.366
341 HB2 TYR 26 HB2 TYR 26 -6.694 -0.110 -7.206
342 HB3 TYR 26 HB3 TYR 26 -7.478 1.428 -6.991
343 HD1 TYR 26 HD2 TYR 26 -4.292 -0.256 -7.893
344 HD2 TYR 26 HD1 TYR 26 -6.475 3.450 -7.959
345 HE1 TYR 26 HE2 TYR 26 -2.591 0.704 -9.422
346 HE2 TYR 26 HE1 TYR 26 -4.768 4.428 -9.484
347 HH TYR 26 HH TYR 26 -1.959 2.542 -10.675
348 H THR 27 H THR 27 -6.402 1.341 -2.896
349 HA THR 27 HA THR 27 -8.071 3.384 -2.642
350 HB THR 27 HB THR 27 -5.717 2.933 -0.806
351 HG1 THR 27 HG1 THR 27 -7.425 1.572 0.147
352 HG21 THR 27 HG21 THR 27 -7.313 3.691 0.943
353 HG22 THR 27 HG22 THR 27 -8.514 4.071 -0.307
354 HG23 THR 27 HG23 THR 27 -7.001 4.988 -0.208
355 HA PRO 28 HA PRO 28 -6.034 6.979 -4.435
356 HB2 PRO 28 HB2 PRO 28 -8.334 8.375 -3.068
357 HB3 PRO 28 HB3 PRO 28 -7.706 8.608 -4.726
358 HG2 PRO 28 HG2 PRO 28 -9.935 7.142 -4.315
359 HG3 PRO 28 HG3 PRO 28 -8.684 6.548 -5.453
360 HD2 PRO 28 HD2 PRO 28 -9.143 5.733 -2.567
361 HD3 PRO 28 HD3 PRO 28 -8.834 4.720 -4.016
362 H LYS 29 H LYS 29 -5.537 9.322 -3.733
363 HA LYS 29 HA LYS 29 -3.884 9.400 -1.420
364 HB2 LYS 29 HB2 LYS 29 -3.570 11.714 -2.009
365 HB3 LYS 29 HB3 LYS 29 -3.554 10.716 -3.454
366 HG2 LYS 29 HG2 LYS 29 -5.974 11.385 -3.870
367 HG3 LYS 29 HG3 LYS 29 -5.838 12.520 -2.520
368 HD2 LYS 29 HD2 LYS 29 -4.081 12.511 -5.013
369 HD3 LYS 29 HD3 LYS 29 -5.488 13.552 -4.781
370 HE2 LYS 29 HE2 LYS 29 -4.464 14.758 -2.979
371 HE3 LYS 29 HE3 LYS 29 -3.161 13.573 -2.822
372 HZ1 LYS 29 HZ1 LYS 29 -2.430 15.545 -4.009
373 HZ2 LYS 29 HZ2 LYS 29 -3.523 15.295 -5.202
374 HZ3 LYS 29 HZ3 LYS 29 -2.310 14.208 -4.944
375 H THR 30 H THR 30 -7.282 9.798 -1.575
376 HA THR 30 HA THR 30 -7.623 11.566 0.726
377 HB THR 30 HB THR 30 -9.711 9.833 -0.656
378 HG1 THR 30 HG1 THR 30 -10.023 11.715 -1.918
379 HG21 THR 30 HG21 THR 30 -10.422 10.875 1.512
380 HG22 THR 30 HG22 THR 30 -11.243 11.623 0.134
381 HG23 THR 30 HG23 THR 30 -9.884 12.463 0.921
382 H LYS 31 H LYS 31 -6.275 10.441 2.174
383 HA LYS 31 HA LYS 31 -5.898 9.227 4.073
384 HB2 LYS 31 HB2 LYS 31 -8.928 8.947 4.154
385 HB3 LYS 31 HB3 LYS 31 -7.806 8.769 5.511
386 HG2 LYS 31 HG2 LYS 31 -7.105 11.138 5.262
387 HG3 LYS 31 HG3 LYS 31 -8.291 11.344 3.957
388 HD2 LYS 31 HD2 LYS 31 -10.108 10.663 5.525
389 HD3 LYS 31 HD3 LYS 31 -8.931 10.593 6.846
390 HE2 LYS 31 HE2 LYS 31 -9.572 13.072 5.167
391 HE3 LYS 31 HE3 LYS 31 -10.290 12.716 6.737
392 HZ1 LYS 31 HZ1 LYS 31 -8.425 14.219 6.973
393 HZ2 LYS 31 HZ2 LYS 31 -7.400 13.176 6.253
394 HZ3 LYS 31 HZ3 LYS 31 -8.057 12.812 7.712
395 H ARG 32 H ARG 32 -7.835 6.947 4.870
396 HA ARG 32 HA ARG 32 -7.682 4.826 3.000
397 HB2 ARG 32 HB2 ARG 32 -6.121 3.324 4.102
398 HB3 ARG 32 HB3 ARG 32 -5.291 4.743 3.479
399 HG2 ARG 32 HG2 ARG 32 -5.150 5.713 5.734
400 HG3 ARG 32 HG3 ARG 32 -6.094 4.385 6.412
401 HD2 ARG 32 HD2 ARG 32 -3.407 4.042 5.021
402 HD3 ARG 32 HD3 ARG 32 -3.610 4.215 6.774
403 HE ARG 32 HE ARG 32 -5.303 2.130 6.123
404 HH11 ARG 32 HH11 ARG 32 -1.849 2.595 5.771
405 HH12 ARG 32 HH12 ARG 32 -1.522 0.890 5.936
406 HH21 ARG 32 HH21 ARG 32 -4.798 -0.009 6.361
407 HH22 ARG 32 HH22 ARG 32 -3.141 -0.541 6.227
Start of MODEL 36
1 H1 GLY 1 1H GLY 1 -1.380 8.144 1.043
2 H2 GLY 1 2H GLY 1 -3.015 8.342 1.068
3 H3 GLY 1 3H GLY 1 -2.216 8.184 -0.366
4 HA2 GLY 1 HA2 GLY 1 -2.445 6.087 1.697
5 HA3 GLY 1 HA3 GLY 1 -3.356 6.139 0.177
6 H ILE 2 H ILE 2 -2.428 4.141 -0.548
7 HA ILE 2 HA ILE 2 0.486 3.952 -0.951
8 HB ILE 2 HB ILE 2 -0.827 1.968 -0.486
9 HG12 ILE 2 HG12 ILE 2 0.343 1.785 -3.294
10 HG13 ILE 2 HG13 ILE 2 1.323 1.977 -1.831
11 HG21 ILE 2 HG21 ILE 2 -2.131 2.304 -3.235
12 HG22 ILE 2 HG22 ILE 2 -2.342 0.942 -2.127
13 HG23 ILE 2 HG23 ILE 2 -2.947 2.529 -1.673
14 HD11 ILE 2 HD11 ILE 2 0.441 -0.136 -0.941
15 HD12 ILE 2 HD12 ILE 2 -0.499 -0.384 -2.436
16 HD13 ILE 2 HD13 ILE 2 1.277 -0.341 -2.484
17 H VAL 3 H VAL 3 -2.241 5.039 -2.890
18 HA VAL 3 HA VAL 3 -1.207 4.569 -5.434
19 HB VAL 3 HB VAL 3 -3.100 6.756 -4.528
20 HG11 VAL 3 HG11 VAL 3 -2.180 7.537 -6.669
21 HG12 VAL 3 HG12 VAL 3 -2.424 5.927 -7.386
22 HG13 VAL 3 HG13 VAL 3 -3.819 6.931 -6.920
23 HG21 VAL 3 HG21 VAL 3 -4.824 5.285 -5.396
24 HG22 VAL 3 HG22 VAL 3 -3.611 4.155 -6.042
25 HG23 VAL 3 HG23 VAL 3 -3.815 4.335 -4.296
26 H GLU 4 H GLU 4 -0.975 7.739 -3.706
27 HA GLU 4 HA GLU 4 0.956 8.677 -5.718
28 HB2 GLU 4 HB2 GLU 4 0.989 10.768 -4.458
29 HB3 GLU 4 HB3 GLU 4 -0.609 10.299 -4.991
30 HG2 GLU 4 HG2 GLU 4 0.381 9.807 -2.151
31 HG3 GLU 4 HG3 GLU 4 -0.420 11.292 -2.654
32 H GLN 5 H GLN 5 1.201 7.041 -2.638
33 HA GLN 5 HA GLN 5 3.845 8.031 -1.981
34 HB2 GLN 5 HB2 GLN 5 2.380 7.061 -0.268
35 HB3 GLN 5 HB3 GLN 5 2.350 5.516 -1.122
36 HG2 GLN 5 HG2 GLN 5 3.824 5.391 0.803
37 HG3 GLN 5 HG3 GLN 5 4.766 5.200 -0.675
38 HE21 GLN 5 HE21 GLN 5 6.010 7.192 -1.442
39 HE22 GLN 5 HE22 GLN 5 6.539 8.333 -0.204
40 H CYS 6 HN CYS 6 2.654 5.081 -3.698
41 HA CYS 6 HA CYS 6 5.287 4.103 -4.392
42 HB2 CYS 6 HB2 CYS 6 2.490 3.679 -5.478
43 HB3 CYS 6 HB3 CYS 6 3.913 2.918 -6.184
44 H CYS 7 HN CYS 7 3.215 6.603 -5.869
45 HA CYS 7 HA CYS 7 4.765 6.794 -8.337
46 HB2 CYS 7 HB2 CYS 7 2.963 8.817 -6.952
47 HB3 CYS 7 HB3 CYS 7 3.661 9.018 -8.552
48 H THR 8 H THR 8 4.666 8.813 -5.374
49 HA THR 8 HA THR 8 6.808 10.541 -6.250
50 HB THR 8 HB THR 8 6.595 11.552 -3.979
51 HG1 THR 8 HG1 THR 8 4.438 9.755 -3.645
52 HG21 THR 8 HG21 THR 8 4.325 12.427 -4.279
53 HG22 THR 8 HG22 THR 8 3.956 11.142 -5.453
54 HG23 THR 8 HG23 THR 8 5.191 12.360 -5.823
55 H SER 9 H SER 9 6.860 7.598 -4.320
56 HA SER 9 HA SER 9 9.822 7.845 -4.279
57 HB2 SER 9 HB2 SER 9 8.848 8.689 -2.081
58 HB3 SER 9 HB3 SER 9 8.338 7.019 -1.781
59 HG SER 9 HG SER 9 10.447 7.580 -0.910
60 H ILE 10 H ILE 10 10.633 5.757 -3.158
61 HA ILE 10 HA ILE 10 9.924 3.462 -4.873
62 HB ILE 10 HB ILE 10 11.875 3.949 -2.603
63 HG12 ILE 10 HG12 ILE 10 12.409 5.078 -4.777
64 HG13 ILE 10 HG13 ILE 10 13.635 3.990 -4.172
65 HG21 ILE 10 HG21 ILE 10 11.479 1.390 -4.175
66 HG22 ILE 10 HG22 ILE 10 12.948 1.765 -3.238
67 HG23 ILE 10 HG23 ILE 10 11.395 1.629 -2.412
68 HD11 ILE 10 HD11 ILE 10 13.018 2.267 -5.809
69 HD12 ILE 10 HD12 ILE 10 11.667 3.284 -6.371
70 HD13 ILE 10 HD13 ILE 10 13.346 3.806 -6.611
71 H CYS 11 HN CYS 11 8.471 1.888 -4.362
72 HA CYS 11 HA CYS 11 7.777 1.440 -1.497
73 HB2 CYS 11 HB2 CYS 11 5.502 1.304 -1.891
74 HB3 CYS 11 HB3 CYS 11 6.006 2.768 -2.714
75 H SER 12 H SER 12 6.963 -0.639 -0.979
76 HA SER 12 HA SER 12 8.520 -2.700 -2.478
77 HB2 SER 12 HB2 SER 12 8.715 -3.837 -0.383
78 HB3 SER 12 HB3 SER 12 9.084 -2.131 -0.115
79 HG SER 12 HG SER 12 7.695 -2.785 1.509
80 H LEU 13 H LEU 13 7.863 -4.963 -2.440
81 HA LEU 13 HA LEU 13 5.128 -5.416 -3.272
82 HB2 LEU 13 HB2 LEU 13 7.501 -7.199 -2.615
83 HB3 LEU 13 HB3 LEU 13 5.899 -7.870 -2.916
84 HG LEU 13 HG LEU 13 5.793 -6.953 -5.143
85 HD11 LEU 13 HD11 LEU 13 8.536 -5.749 -4.608
86 HD12 LEU 13 HD12 LEU 13 7.048 -4.897 -5.068
87 HD13 LEU 13 HD13 LEU 13 7.841 -5.958 -6.231
88 HD21 LEU 13 HD21 LEU 13 7.516 -8.357 -6.185
89 HD22 LEU 13 HD22 LEU 13 6.804 -9.171 -4.786
90 HD23 LEU 13 HD23 LEU 13 8.416 -8.424 -4.654
91 H TYR 14 H TYR 14 6.724 -5.537 -0.122
92 HA TYR 14 HA TYR 14 4.574 -6.835 1.295
93 HB2 TYR 14 HB2 TYR 14 6.831 -6.608 2.217
94 HB3 TYR 14 HB3 TYR 14 6.686 -4.859 2.220
95 HD1 TYR 14 HD2 TYR 14 5.278 -7.988 3.692
96 HD2 TYR 14 HD1 TYR 14 5.646 -3.708 4.049
97 HE1 TYR 14 HE2 TYR 14 4.248 -8.092 5.955
98 HE2 TYR 14 HE1 TYR 14 4.620 -3.804 6.313
99 HH TYR 14 HH TYR 14 3.555 -6.899 7.795
100 H GLN 15 H GLN 15 5.077 -3.451 0.299
101 HA GLN 15 HA GLN 15 2.662 -2.475 1.667
102 HB2 GLN 15 HB2 GLN 15 4.378 -1.291 -0.546
103 HB3 GLN 15 HB3 GLN 15 2.967 -0.493 0.154
104 HG2 GLN 15 HG2 GLN 15 3.990 -0.410 2.353
105 HG3 GLN 15 HG3 GLN 15 5.358 -1.387 1.823
106 HE21 GLN 15 HE21 GLN 15 4.047 1.880 1.909
107 HE22 GLN 15 HE22 GLN 15 5.415 2.614 1.083
108 H LEU 16 H LEU 16 3.392 -3.631 -1.685
109 HA LEU 16 HA LEU 16 0.736 -3.230 -2.679
110 HB2 LEU 16 HB2 LEU 16 2.833 -5.305 -3.433
111 HB3 LEU 16 HB3 LEU 16 1.385 -4.973 -4.363
112 HG LEU 16 HG LEU 16 3.594 -2.926 -3.829
113 HD11 LEU 16 HD11 LEU 16 4.411 -4.770 -5.249
114 HD12 LEU 16 HD12 LEU 16 4.231 -3.289 -6.172
115 HD13 LEU 16 HD13 LEU 16 3.008 -4.570 -6.327
116 HD21 LEU 16 HD21 LEU 16 1.290 -2.823 -5.805
117 HD22 LEU 16 HD22 LEU 16 2.560 -1.607 -5.582
118 HD23 LEU 16 HD23 LEU 16 1.377 -1.877 -4.300
119 H GLU 17 H GLU 17 2.152 -6.088 -1.060
120 HA GLU 17 HA GLU 17 -0.113 -7.776 -0.911
121 HB2 GLU 17 HB2 GLU 17 2.292 -7.307 0.858
122 HB3 GLU 17 HB3 GLU 17 1.033 -8.396 1.397
123 HG2 GLU 17 HG2 GLU 17 2.489 -8.679 -1.262
124 HG3 GLU 17 HG3 GLU 17 2.979 -9.480 0.231
125 H ASN 18 H ASN 18 0.746 -5.009 1.247
126 HA ASN 18 HA ASN 18 -1.242 -5.521 3.204
127 HB2 ASN 18 HB2 ASN 18 0.772 -4.075 3.452
128 HB3 ASN 18 HB3 ASN 18 -0.001 -2.863 2.425
129 HD21 ASN 18 HD21 ASN 18 -0.514 -4.737 5.480
130 HD22 ASN 18 HD22 ASN 18 -1.409 -3.453 6.276
131 H TYR 19 H TYR 19 -1.591 -4.087 0.037
132 HA TYR 19 HA TYR 19 -4.376 -3.201 0.629
133 HB2 TYR 19 HB2 TYR 19 -2.371 -2.416 -1.489
134 HB3 TYR 19 HB3 TYR 19 -4.083 -2.057 -1.653
135 HD1 TYR 19 HD1 TYR 19 -1.079 -1.375 0.410
136 HD2 TYR 19 HD2 TYR 19 -5.214 -0.417 -0.261
137 HE1 TYR 19 HE1 TYR 19 -0.858 0.585 1.928
138 HE2 TYR 19 HE2 TYR 19 -5.019 1.522 1.271
139 HH TYR 19 HH TYR 19 -3.623 2.764 2.631
140 H CYS 20 HN CYS 20 -3.036 -6.042 -0.328
141 HA CYS 20 HA CYS 20 -4.931 -6.812 -2.416
142 HB2 CYS 20 HB2 CYS 20 -3.429 -8.525 -0.409
143 HB3 CYS 20 HB3 CYS 20 -4.316 -9.112 -1.813
144 H ASN 21 H ASN 21 -6.822 -8.016 -2.174
145 HA ASN 21 HA ASN 21 -8.504 -7.075 -0.003
146 HB2 ASN 21 HB2 ASN 21 -9.200 -7.226 -2.415
147 HB3 ASN 21 HB3 ASN 21 -9.125 -8.985 -2.296
148 HD21 ASN 21 HD21 ASN 21 -10.736 -6.114 -0.888
149 HD22 ASN 21 HD22 ASN 21 -12.227 -6.967 -0.519
150 H1 PHE 1 H1 PHE 1 17.194 -5.638 -1.886
151 H2 PHE 1 H2 PHE 1 17.305 -5.338 -0.268
152 H3 PHE 1 H3 PHE 1 16.913 -4.125 -1.300
153 HA PHE 1 HA PHE 1 15.296 -6.531 -0.777
154 HB2 PHE 1 HB2 PHE 1 14.728 -3.656 0.083
155 HB3 PHE 1 HB3 PHE 1 13.710 -5.069 0.391
156 HD1 PHE 1 HD2 PHE 1 14.690 -7.010 1.796
157 HD2 PHE 1 HD1 PHE 1 16.373 -3.029 1.687
158 HE1 PHE 1 HE2 PHE 1 15.890 -7.457 3.915
159 HE2 PHE 1 HE1 PHE 1 17.576 -3.492 3.809
160 HZ PHE 1 HZ PHE 1 17.344 -5.702 4.926
161 H VAL 2 H VAL 2 13.171 -6.560 -1.834
162 HA VAL 2 HA VAL 2 13.339 -5.387 -4.518
163 HB VAL 2 HB VAL 2 12.842 -7.740 -4.307
164 HG11 VAL 2 HG11 VAL 2 11.420 -7.729 -2.252
165 HG12 VAL 2 HG12 VAL 2 10.089 -7.035 -3.202
166 HG13 VAL 2 HG13 VAL 2 10.727 -8.644 -3.596
167 HG21 VAL 2 HG21 VAL 2 11.063 -7.813 -5.978
168 HG22 VAL 2 HG22 VAL 2 10.598 -6.142 -5.605
169 HG23 VAL 2 HG23 VAL 2 12.188 -6.486 -6.305
170 H ASN 3 H ASN 3 12.550 -3.531 -5.017
171 HA ASN 3 HA ASN 3 9.986 -2.481 -4.329
172 HB2 ASN 3 HB2 ASN 3 10.865 -0.565 -2.899
173 HB3 ASN 3 HB3 ASN 3 10.707 -2.114 -2.121
174 HD21 ASN 3 HD21 ASN 3 13.463 -0.803 -4.163
175 HD22 ASN 3 HD22 ASN 3 14.626 -1.038 -2.873
176 H GLN 4 H GLN 4 9.481 -0.542 -5.446
177 HA GLN 4 HA GLN 4 11.487 0.788 -7.168
178 HB2 GLN 4 HB2 GLN 4 9.287 -1.048 -8.235
179 HB3 GLN 4 HB3 GLN 4 10.017 0.202 -9.222
180 HG2 GLN 4 HG2 GLN 4 11.524 -2.185 -8.075
181 HG3 GLN 4 HG3 GLN 4 10.916 -2.023 -9.706
182 HE21 GLN 4 HE21 GLN 4 13.432 -0.871 -7.469
183 HE22 GLN 4 HE22 GLN 4 14.403 -0.115 -8.740
184 H HIS 5 H HIS 5 10.322 2.466 -8.621
185 HA HIS 5 HA HIS 5 8.086 3.771 -7.175
186 HB2 HIS 5 HB2 HIS 5 9.609 4.419 -9.745
187 HB3 HIS 5 HB3 HIS 5 8.149 5.261 -9.264
188 HD1 HIS 5 HD1 HIS 5 8.376 7.190 -7.512
189 HD2 HIS 5 HD2 HIS 5 11.854 4.934 -8.231
190 HE1 HIS 5 HE1 HIS 5 10.307 8.475 -6.455
191 H LEU 6 H LEU 6 5.960 3.526 -7.838
192 HA LEU 6 HA LEU 6 5.255 2.155 -10.383
193 HB2 LEU 6 HB2 LEU 6 4.396 1.321 -7.571
194 HB3 LEU 6 HB3 LEU 6 3.584 0.780 -9.033
195 HG LEU 6 HG LEU 6 6.518 0.204 -8.430
196 HD11 LEU 6 HD11 LEU 6 5.131 -0.827 -6.729
197 HD12 LEU 6 HD12 LEU 6 5.712 -2.072 -7.851
198 HD13 LEU 6 HD13 LEU 6 4.038 -1.486 -7.963
199 HD21 LEU 6 HD21 LEU 6 6.229 -1.542 -10.180
200 HD22 LEU 6 HD22 LEU 6 5.977 0.085 -10.830
201 HD23 LEU 6 HD23 LEU 6 4.579 -0.955 -10.492
202 H CYS 7 HN CYS 7 3.715 3.343 -11.386
203 HA CYS 7 HA CYS 7 1.799 4.911 -9.723
204 HB2 CYS 7 HB2 CYS 7 3.958 6.161 -10.404
205 HB3 CYS 7 HB3 CYS 7 3.310 6.142 -12.039
206 H GLY 8 H GLY 8 -0.189 5.298 -10.592
207 HA2 GLY 8 HA2 GLY 8 -2.058 5.002 -11.921
208 HA3 GLY 8 HA3 GLY 8 -0.954 5.289 -13.271
209 H SER 9 H SER 9 -1.252 3.821 -14.788
210 HA SER 9 HA SER 9 -2.460 1.271 -14.552
211 HB2 SER 9 HB2 SER 9 -1.417 0.907 -16.818
212 HB3 SER 9 HB3 SER 9 -2.392 2.376 -16.655
213 HG SER 9 HG SER 9 -0.377 2.766 -17.732
214 H HIS 10 H HIS 10 1.022 2.166 -14.348
215 HA HIS 10 HA HIS 10 1.944 -0.568 -14.350
216 HB2 HIS 10 HB2 HIS 10 3.268 1.504 -14.919
217 HB3 HIS 10 HB3 HIS 10 3.315 1.899 -13.208
218 HD1 HIS 10 HD1 HIS 10 6.059 1.719 -13.619
219 HD2 HIS 10 HD2 HIS 10 3.819 -1.830 -13.964
220 HE1 HIS 10 HE1 HIS 10 7.735 -0.198 -13.545
221 H LEU 11 H LEU 11 0.956 1.635 -11.709
222 HA LEU 11 HA LEU 11 1.617 -0.218 -9.564
223 HB2 LEU 11 HB2 LEU 11 1.381 2.211 -9.185
224 HB3 LEU 11 HB3 LEU 11 -0.305 2.159 -9.691
225 HG LEU 11 HG LEU 11 -0.859 0.742 -7.730
226 HD11 LEU 11 HD11 LEU 11 1.290 -0.411 -7.352
227 HD12 LEU 11 HD12 LEU 11 0.782 0.458 -5.900
228 HD13 LEU 11 HD13 LEU 11 2.059 1.138 -6.932
229 HD21 LEU 11 HD21 LEU 11 0.652 3.294 -7.041
230 HD22 LEU 11 HD22 LEU 11 -0.557 2.486 -6.022
231 HD23 LEU 11 HD23 LEU 11 -1.046 3.188 -7.575
232 H VAL 12 H VAL 12 -1.359 0.477 -11.402
233 HA VAL 12 HA VAL 12 -3.060 -1.405 -10.106
234 HB VAL 12 HB VAL 12 -3.052 -0.211 -12.883
235 HG11 VAL 12 HG11 VAL 12 -5.195 -2.071 -11.779
236 HG12 VAL 12 HG12 VAL 12 -5.355 -1.053 -13.222
237 HG13 VAL 12 HG13 VAL 12 -4.175 -2.366 -13.207
238 HG21 VAL 12 HG21 VAL 12 -4.982 1.036 -12.021
239 HG22 VAL 12 HG22 VAL 12 -4.928 0.132 -10.493
240 HG23 VAL 12 HG23 VAL 12 -3.611 1.238 -10.923
241 H GLU 13 H GLU 13 -0.922 -1.884 -13.003
242 HA GLU 13 HA GLU 13 -1.435 -4.684 -13.270
243 HB2 GLU 13 HB2 GLU 13 0.918 -2.934 -14.078
244 HB3 GLU 13 HB3 GLU 13 0.864 -4.670 -14.402
245 HG2 GLU 13 HG2 GLU 13 -1.270 -4.382 -15.647
246 HG3 GLU 13 HG3 GLU 13 -1.178 -2.638 -15.406
247 H ALA 14 H ALA 14 1.156 -2.975 -11.365
248 HA ALA 14 HA ALA 14 2.406 -5.347 -10.415
249 HB1 ALA 14 HB1 ALA 14 2.137 -2.624 -9.063
250 HB2 ALA 14 HB2 ALA 14 3.340 -3.877 -8.689
251 HB3 ALA 14 HB3 ALA 14 3.371 -3.068 -10.262
252 H LEU 15 H LEU 15 -0.380 -3.526 -9.039
253 HA LEU 15 HA LEU 15 -0.745 -5.246 -6.752
254 HB2 LEU 15 HB2 LEU 15 -2.594 -3.378 -8.292
255 HB3 LEU 15 HB3 LEU 15 -3.100 -4.260 -6.855
256 HG LEU 15 HG LEU 15 -0.703 -2.399 -6.808
257 HD11 LEU 15 HD11 LEU 15 -3.557 -1.681 -6.054
258 HD12 LEU 15 HD12 LEU 15 -2.702 -1.114 -7.506
259 HD13 LEU 15 HD13 LEU 15 -2.116 -0.659 -5.898
260 HD21 LEU 15 HD21 LEU 15 -1.163 -2.360 -4.368
261 HD22 LEU 15 HD22 LEU 15 -0.845 -4.005 -4.921
262 HD23 LEU 15 HD23 LEU 15 -2.514 -3.486 -4.593
263 H TYR 16 H TYR 16 -2.135 -5.454 -10.088
264 HA TYR 16 HA TYR 16 -3.661 -7.838 -9.604
265 HB2 TYR 16 HB2 TYR 16 -2.433 -6.573 -12.069
266 HB3 TYR 16 HB3 TYR 16 -3.044 -8.206 -12.163
267 HD1 TYR 16 HD2 TYR 16 -5.469 -8.563 -11.062
268 HD2 TYR 16 HD1 TYR 16 -3.950 -4.912 -12.767
269 HE1 TYR 16 HE2 TYR 16 -7.803 -7.777 -11.457
270 HE2 TYR 16 HE1 TYR 16 -6.269 -4.120 -13.170
271 HH TYR 16 HH TYR 16 -8.506 -4.603 -12.990
272 H LEU 17 H LEU 17 -0.244 -7.474 -10.678
273 HA LEU 17 HA LEU 17 0.260 -10.297 -10.848
274 HB2 LEU 17 HB2 LEU 17 1.931 -7.783 -10.829
275 HB3 LEU 17 HB3 LEU 17 2.729 -9.304 -10.491
276 HG LEU 17 HG LEU 17 1.939 -10.290 -12.577
277 HD11 LEU 17 HD11 LEU 17 -0.125 -8.946 -12.996
278 HD12 LEU 17 HD12 LEU 17 0.969 -9.009 -14.384
279 HD13 LEU 17 HD13 LEU 17 0.908 -7.546 -13.399
280 HD21 LEU 17 HD21 LEU 17 3.387 -7.627 -12.935
281 HD22 LEU 17 HD22 LEU 17 3.434 -8.995 -14.068
282 HD23 LEU 17 HD23 LEU 17 4.138 -9.168 -12.447
283 H VAL 18 H VAL 18 0.890 -8.000 -8.156
284 HA VAL 18 HA VAL 18 2.078 -10.035 -6.506
285 HB VAL 18 HB VAL 18 0.979 -7.296 -5.826
286 HG11 VAL 18 HG11 VAL 18 0.702 -8.586 -3.762
287 HG12 VAL 18 HG12 VAL 18 2.341 -9.270 -3.937
288 HG13 VAL 18 HG13 VAL 18 2.109 -7.539 -3.603
289 HG21 VAL 18 HG21 VAL 18 3.796 -8.499 -5.928
290 HG22 VAL 18 HG22 VAL 18 3.107 -7.392 -7.124
291 HG23 VAL 18 HG23 VAL 18 3.405 -6.835 -5.473
292 H CYS 19 HN CYS 19 -1.287 -8.654 -6.492
293 HA CYS 19 HA CYS 19 -2.067 -10.354 -4.283
294 HB2 CYS 19 HB2 CYS 19 -3.765 -8.676 -6.137
295 HB3 CYS 19 HB3 CYS 19 -4.269 -9.384 -4.601
296 H GLY 20 H GLY 20 -2.409 -10.658 -7.808
297 HA2 GLY 20 HA2 GLY 20 -3.021 -12.471 -9.118
298 HA3 GLY 20 HA3 GLY 20 -2.828 -13.484 -7.672
299 H GLU 21 H GLU 21 -4.591 -14.721 -7.717
300 HA GLU 21 HA GLU 21 -7.186 -13.954 -8.580
301 HB2 GLU 21 HB2 GLU 21 -7.920 -16.107 -7.760
302 HB3 GLU 21 HB3 GLU 21 -6.371 -16.258 -8.587
303 HG2 GLU 21 HG2 GLU 21 -5.211 -16.349 -6.372
304 HG3 GLU 21 HG3 GLU 21 -6.765 -16.215 -5.556
305 H ARG 22 H ARG 22 -5.693 -13.240 -5.544
306 HA ARG 22 HA ARG 22 -8.019 -13.157 -3.854
307 HB2 ARG 22 HB2 ARG 22 -5.403 -11.599 -3.733
308 HB3 ARG 22 HB3 ARG 22 -6.624 -11.612 -2.465
309 HG2 ARG 22 HG2 ARG 22 -6.358 -14.002 -2.111
310 HG3 ARG 22 HG3 ARG 22 -5.198 -14.135 -3.442
311 HD2 ARG 22 HD2 ARG 22 -4.758 -12.354 -1.008
312 HD3 ARG 22 HD3 ARG 22 -4.214 -14.044 -1.100
313 HE ARG 22 HE ARG 22 -3.215 -12.876 -3.412
314 HH11 ARG 22 HH11 ARG 22 -2.794 -12.041 0.019
315 HH12 ARG 22 HH12 ARG 22 -1.158 -11.473 -0.264
316 HH21 ARG 22 HH21 ARG 22 -1.028 -12.315 -3.594
317 HH22 ARG 22 HH22 ARG 22 -0.201 -11.650 -2.208
318 H GLY 23 H GLY 23 -6.624 -10.803 -6.123
319 HA2 GLY 23 HA2 GLY 23 -7.452 -8.765 -6.936
320 HA3 GLY 23 HA3 GLY 23 -8.923 -8.980 -5.971
321 H PHE 24 H PHE 24 -8.217 -6.534 -5.918
322 HA PHE 24 HA PHE 24 -7.045 -5.912 -3.291
323 HB2 PHE 24 HB2 PHE 24 -5.230 -4.609 -4.221
324 HB3 PHE 24 HB3 PHE 24 -5.188 -6.219 -4.907
325 HD1 PHE 24 HD2 PHE 24 -5.584 -6.658 -7.253
326 HD2 PHE 24 HD1 PHE 24 -5.799 -2.651 -5.664
327 HE1 PHE 24 HE2 PHE 24 -5.475 -5.730 -9.544
328 HE2 PHE 24 HE1 PHE 24 -5.665 -1.738 -7.969
329 HZ PHE 24 HZ PHE 24 -5.504 -3.285 -9.912
330 H PHE 25 H PHE 25 -6.890 -3.475 -2.997
331 HA PHE 25 HA PHE 25 -8.672 -1.874 -4.697
332 HB2 PHE 25 HB2 PHE 25 -10.068 -2.755 -2.765
333 HB3 PHE 25 HB3 PHE 25 -9.037 -1.836 -1.677
334 HD1 PHE 25 HD2 PHE 25 -8.968 0.715 -1.894
335 HD2 PHE 25 HD1 PHE 25 -11.755 -1.714 -4.114
336 HE1 PHE 25 HE2 PHE 25 -10.279 2.736 -2.461
337 HE2 PHE 25 HE1 PHE 25 -13.084 0.309 -4.659
338 HZ PHE 25 HZ PHE 25 -12.344 2.541 -3.840
339 H TYR 26 H TYR 26 -7.665 -0.029 -5.203
340 HA TYR 26 HA TYR 26 -5.187 0.733 -3.821
341 HB2 TYR 26 HB2 TYR 26 -4.836 2.107 -5.794
342 HB3 TYR 26 HB3 TYR 26 -5.131 0.440 -6.211
343 HD1 TYR 26 HD1 TYR 26 -7.289 -0.244 -7.299
344 HD2 TYR 26 HD2 TYR 26 -6.321 3.890 -6.551
345 HE1 TYR 26 HE1 TYR 26 -9.076 0.460 -8.881
346 HE2 TYR 26 HE2 TYR 26 -8.097 4.597 -8.130
347 HH TYR 26 HH TYR 26 -9.769 3.918 -9.566
348 H THR 27 H THR 27 -4.944 2.496 -2.551
349 HA THR 27 HA THR 27 -7.298 4.303 -2.174
350 HB THR 27 HB THR 27 -5.354 3.324 -0.085
351 HG1 THR 27 HG1 THR 27 -7.267 2.172 0.551
352 HG21 THR 27 HG21 THR 27 -6.266 5.528 0.523
353 HG22 THR 27 HG22 THR 27 -7.063 4.279 1.486
354 HG23 THR 27 HG23 THR 27 -7.910 4.994 0.091
355 HA PRO 28 HA PRO 28 -4.150 7.586 -2.702
356 HB2 PRO 28 HB2 PRO 28 -5.759 9.555 -3.568
357 HB3 PRO 28 HB3 PRO 28 -5.479 8.105 -4.580
358 HG2 PRO 28 HG2 PRO 28 -7.816 8.643 -2.704
359 HG3 PRO 28 HG3 PRO 28 -7.882 8.145 -4.427
360 HD2 PRO 28 HD2 PRO 28 -8.022 6.392 -2.300
361 HD3 PRO 28 HD3 PRO 28 -7.332 5.945 -3.890
362 H LYS 29 H LYS 29 -4.080 9.924 -1.868
363 HA LYS 29 HA LYS 29 -4.467 10.119 0.965
364 HB2 LYS 29 HB2 LYS 29 -2.719 11.246 -0.400
365 HB3 LYS 29 HB3 LYS 29 -3.957 12.249 -1.165
366 HG2 LYS 29 HG2 LYS 29 -4.461 13.306 1.018
367 HG3 LYS 29 HG3 LYS 29 -3.287 12.238 1.819
368 HD2 LYS 29 HD2 LYS 29 -1.464 13.221 0.453
369 HD3 LYS 29 HD3 LYS 29 -2.644 14.257 -0.382
370 HE2 LYS 29 HE2 LYS 29 -3.266 15.284 1.804
371 HE3 LYS 29 HE3 LYS 29 -2.067 14.272 2.623
372 HZ1 LYS 29 HZ1 LYS 29 -1.457 16.308 0.543
373 HZ2 LYS 29 HZ2 LYS 29 -0.343 15.378 1.301
374 HZ3 LYS 29 HZ3 LYS 29 -1.194 16.487 2.144
375 H THR 30 H THR 30 -6.624 11.023 -1.673
376 HA THR 30 HA THR 30 -8.487 12.582 -0.043
377 HB THR 30 HB THR 30 -10.001 12.238 -2.047
378 HG1 THR 30 HG1 THR 30 -8.997 11.357 -3.873
379 HG21 THR 30 HG21 THR 30 -7.218 13.365 -2.629
380 HG22 THR 30 HG22 THR 30 -8.536 14.231 -1.807
381 HG23 THR 30 HG23 THR 30 -8.720 13.740 -3.496
382 H LYS 31 H LYS 31 -7.870 9.248 -0.363
383 HA LYS 31 HA LYS 31 -8.534 7.522 0.846
384 HB2 LYS 31 HB2 LYS 31 -8.930 9.380 2.576
385 HB3 LYS 31 HB3 LYS 31 -10.657 9.177 2.235
386 HG2 LYS 31 HG2 LYS 31 -10.556 6.836 2.993
387 HG3 LYS 31 HG3 LYS 31 -8.794 6.935 3.142
388 HD2 LYS 31 HD2 LYS 31 -9.803 7.079 5.330
389 HD3 LYS 31 HD3 LYS 31 -9.042 8.626 4.936
390 HE2 LYS 31 HE2 LYS 31 -11.260 9.568 4.314
391 HE3 LYS 31 HE3 LYS 31 -12.024 8.007 4.647
392 HZ1 LYS 31 HZ1 LYS 31 -10.626 9.680 6.666
393 HZ2 LYS 31 HZ2 LYS 31 -11.341 8.237 6.970
394 HZ3 LYS 31 HZ3 LYS 31 -12.245 9.526 6.525
395 H ARG 32 H ARG 32 -10.162 5.879 1.134
396 HA ARG 32 HA ARG 32 -11.836 5.426 -1.172
397 HB2 ARG 32 HB2 ARG 32 -10.628 3.654 0.067
398 HB3 ARG 32 HB3 ARG 32 -11.653 3.942 1.486
399 HG2 ARG 32 HG2 ARG 32 -13.644 3.230 0.221
400 HG3 ARG 32 HG3 ARG 32 -12.682 3.079 -1.254
401 HD2 ARG 32 HD2 ARG 32 -11.284 1.348 -0.086
402 HD3 ARG 32 HD3 ARG 32 -12.388 1.440 1.297
403 HE ARG 32 HE ARG 32 -14.001 0.965 -0.941
404 HH11 ARG 32 HH11 ARG 32 -11.443 -0.795 0.670
405 HH12 ARG 32 HH12 ARG 32 -12.048 -2.340 0.134
406 HH21 ARG 32 HH21 ARG 32 -14.703 -1.023 -1.606
407 HH22 ARG 32 HH22 ARG 32 -13.852 -2.457 -1.119
Start of MODEL 37
1 H1 GLY 1 1H GLY 1 -1.840 7.634 1.827
2 H2 GLY 1 2H GLY 1 -3.465 7.858 1.859
3 H3 GLY 1 3H GLY 1 -2.622 8.176 0.492
4 HA2 GLY 1 HA2 GLY 1 -2.968 5.506 1.697
5 HA3 GLY 1 HA3 GLY 1 -3.817 6.097 0.263
6 H ILE 2 H ILE 2 -2.452 3.775 0.034
7 HA ILE 2 HA ILE 2 0.327 4.015 -0.550
8 HB ILE 2 HB ILE 2 -0.701 1.912 0.059
9 HG12 ILE 2 HG12 ILE 2 0.614 1.655 -2.680
10 HG13 ILE 2 HG13 ILE 2 1.499 2.120 -1.220
11 HG21 ILE 2 HG21 ILE 2 -1.868 1.862 -2.766
12 HG22 ILE 2 HG22 ILE 2 -1.970 0.563 -1.558
13 HG23 ILE 2 HG23 ILE 2 -2.798 2.090 -1.270
14 HD11 ILE 2 HD11 ILE 2 0.047 -0.531 -1.594
15 HD12 ILE 2 HD12 ILE 2 1.793 -0.251 -1.677
16 HD13 ILE 2 HD13 ILE 2 0.947 0.001 -0.146
17 H VAL 3 H VAL 3 -2.392 4.655 -2.673
18 HA VAL 3 HA VAL 3 -0.977 4.736 -5.127
19 HB VAL 3 HB VAL 3 -3.325 6.343 -4.122
20 HG11 VAL 3 HG11 VAL 3 -3.864 6.921 -6.495
21 HG12 VAL 3 HG12 VAL 3 -2.425 7.735 -5.904
22 HG13 VAL 3 HG13 VAL 3 -2.262 6.324 -6.978
23 HG21 VAL 3 HG21 VAL 3 -3.159 4.074 -6.157
24 HG22 VAL 3 HG22 VAL 3 -3.641 3.862 -4.465
25 HG23 VAL 3 HG23 VAL 3 -4.645 4.827 -5.546
26 H GLU 4 H GLU 4 -0.823 7.056 -2.459
27 HA GLU 4 HA GLU 4 0.929 8.831 -4.089
28 HB2 GLU 4 HB2 GLU 4 -0.792 9.734 -2.497
29 HB3 GLU 4 HB3 GLU 4 0.155 9.089 -1.159
30 HG2 GLU 4 HG2 GLU 4 2.012 10.549 -1.685
31 HG3 GLU 4 HG3 GLU 4 1.337 10.956 -3.261
32 H GLN 5 H GLN 5 1.101 6.398 -1.491
33 HA GLN 5 HA GLN 5 3.744 7.113 -0.614
34 HB2 GLN 5 HB2 GLN 5 1.975 5.871 0.705
35 HB3 GLN 5 HB3 GLN 5 2.372 4.427 -0.244
36 HG2 GLN 5 HG2 GLN 5 4.637 4.388 0.600
37 HG3 GLN 5 HG3 GLN 5 4.428 5.945 1.408
38 HE21 GLN 5 HE21 GLN 5 4.476 2.607 2.061
39 HE22 GLN 5 HE22 GLN 5 3.463 2.666 3.489
40 H CYS 6 HN CYS 6 2.622 4.578 -2.916
41 HA CYS 6 HA CYS 6 5.367 3.705 -3.540
42 HB2 CYS 6 HB2 CYS 6 2.622 3.260 -4.756
43 HB3 CYS 6 HB3 CYS 6 4.089 2.709 -5.539
44 H CYS 7 HN CYS 7 3.374 6.368 -4.569
45 HA CYS 7 HA CYS 7 4.663 6.552 -7.219
46 HB2 CYS 7 HB2 CYS 7 2.230 6.861 -6.803
47 HB3 CYS 7 HB3 CYS 7 2.587 8.356 -5.938
48 H THR 8 H THR 8 4.465 8.607 -4.290
49 HA THR 8 HA THR 8 6.494 10.499 -5.247
50 HB THR 8 HB THR 8 5.105 10.218 -2.556
51 HG1 THR 8 HG1 THR 8 3.869 11.942 -3.443
52 HG21 THR 8 HG21 THR 8 6.727 12.515 -3.765
53 HG22 THR 8 HG22 THR 8 7.152 11.565 -2.320
54 HG23 THR 8 HG23 THR 8 5.740 12.635 -2.297
55 H SER 9 H SER 9 6.330 7.899 -2.783
56 HA SER 9 HA SER 9 9.301 8.067 -2.438
57 HB2 SER 9 HB2 SER 9 7.178 6.867 -0.630
58 HB3 SER 9 HB3 SER 9 8.921 6.816 -0.349
59 HG SER 9 HG SER 9 7.899 8.560 0.772
60 H ILE 10 H ILE 10 10.252 5.832 -1.855
61 HA ILE 10 HA ILE 10 9.701 3.871 -3.988
62 HB ILE 10 HB ILE 10 11.581 4.042 -1.615
63 HG12 ILE 10 HG12 ILE 10 12.144 5.514 -3.532
64 HG13 ILE 10 HG13 ILE 10 13.378 4.326 -3.149
65 HG21 ILE 10 HG21 ILE 10 11.217 1.701 -1.773
66 HG22 ILE 10 HG22 ILE 10 11.339 1.741 -3.542
67 HG23 ILE 10 HG23 ILE 10 12.775 2.029 -2.540
68 HD11 ILE 10 HD11 ILE 10 11.400 4.054 -5.451
69 HD12 ILE 10 HD12 ILE 10 13.077 4.604 -5.580
70 HD13 ILE 10 HD13 ILE 10 12.747 2.946 -5.074
71 H CYS 11 HN CYS 11 8.728 1.832 -3.733
72 HA CYS 11 HA CYS 11 7.971 1.017 -0.999
73 HB2 CYS 11 HB2 CYS 11 5.725 0.606 -1.439
74 HB3 CYS 11 HB3 CYS 11 6.044 2.216 -2.038
75 H SER 12 H SER 12 6.741 -1.312 -1.324
76 HA SER 12 HA SER 12 8.561 -3.105 -2.814
77 HB2 SER 12 HB2 SER 12 9.178 -4.265 -0.708
78 HB3 SER 12 HB3 SER 12 9.737 -2.590 -0.716
79 HG SER 12 HG SER 12 8.699 -3.294 1.278
80 H LEU 13 H LEU 13 7.958 -5.439 -2.529
81 HA LEU 13 HA LEU 13 5.206 -5.811 -3.123
82 HB2 LEU 13 HB2 LEU 13 7.490 -7.711 -2.469
83 HB3 LEU 13 HB3 LEU 13 5.847 -8.287 -2.730
84 HG LEU 13 HG LEU 13 5.788 -7.335 -4.975
85 HD11 LEU 13 HD11 LEU 13 7.927 -6.654 -6.100
86 HD12 LEU 13 HD12 LEU 13 8.693 -6.574 -4.492
87 HD13 LEU 13 HD13 LEU 13 7.350 -5.477 -4.918
88 HD21 LEU 13 HD21 LEU 13 6.482 -9.670 -4.587
89 HD22 LEU 13 HD22 LEU 13 8.181 -9.145 -4.465
90 HD23 LEU 13 HD23 LEU 13 7.304 -8.990 -6.003
91 H TYR 14 H TYR 14 6.876 -6.023 -0.019
92 HA TYR 14 HA TYR 14 4.768 -7.266 1.483
93 HB2 TYR 14 HB2 TYR 14 7.072 -7.031 2.288
94 HB3 TYR 14 HB3 TYR 14 6.929 -5.273 2.277
95 HD1 TYR 14 HD2 TYR 14 5.544 -8.382 3.839
96 HD2 TYR 14 HD1 TYR 14 6.051 -4.113 4.178
97 HE1 TYR 14 HE2 TYR 14 4.647 -8.464 6.162
98 HE2 TYR 14 HE1 TYR 14 5.159 -4.182 6.493
99 HH TYR 14 HH TYR 14 4.309 -5.512 8.177
100 H GLN 15 H GLN 15 5.306 -3.901 0.484
101 HA GLN 15 HA GLN 15 3.038 -2.819 2.038
102 HB2 GLN 15 HB2 GLN 15 4.788 -1.625 -0.160
103 HB3 GLN 15 HB3 GLN 15 3.503 -0.755 0.673
104 HG2 GLN 15 HG2 GLN 15 4.628 -0.961 2.817
105 HG3 GLN 15 HG3 GLN 15 5.856 -2.027 2.138
106 HE21 GLN 15 HE21 GLN 15 7.689 -1.132 1.170
107 HE22 GLN 15 HE22 GLN 15 7.926 0.617 1.112
108 H LEU 16 H LEU 16 3.623 -3.879 -1.352
109 HA LEU 16 HA LEU 16 1.001 -3.220 -2.330
110 HB2 LEU 16 HB2 LEU 16 2.918 -5.448 -3.150
111 HB3 LEU 16 HB3 LEU 16 1.517 -4.952 -4.067
112 HG LEU 16 HG LEU 16 3.943 -3.199 -3.496
113 HD11 LEU 16 HD11 LEU 16 4.394 -5.028 -5.082
114 HD12 LEU 16 HD12 LEU 16 4.395 -3.463 -5.895
115 HD13 LEU 16 HD13 LEU 16 2.987 -4.539 -6.056
116 HD21 LEU 16 HD21 LEU 16 2.944 -1.643 -5.154
117 HD22 LEU 16 HD22 LEU 16 1.950 -1.772 -3.706
118 HD23 LEU 16 HD23 LEU 16 1.475 -2.633 -5.188
119 H GLU 17 H GLU 17 2.212 -6.291 -0.905
120 HA GLU 17 HA GLU 17 -0.253 -7.674 -0.929
121 HB2 GLU 17 HB2 GLU 17 2.320 -7.890 0.629
122 HB3 GLU 17 HB3 GLU 17 0.953 -8.793 1.225
123 HG2 GLU 17 HG2 GLU 17 1.968 -8.973 -1.643
124 HG3 GLU 17 HG3 GLU 17 2.451 -10.065 -0.345
125 H ASN 18 H ASN 18 0.973 -5.331 1.507
126 HA ASN 18 HA ASN 18 -0.873 -5.844 3.575
127 HB2 ASN 18 HB2 ASN 18 1.130 -4.419 3.765
128 HB3 ASN 18 HB3 ASN 18 0.381 -3.215 2.722
129 HD21 ASN 18 HD21 ASN 18 -1.114 -1.729 3.630
130 HD22 ASN 18 HD22 ASN 18 -1.527 -1.750 5.331
131 H TYR 19 H TYR 19 -1.404 -4.194 0.516
132 HA TYR 19 HA TYR 19 -4.169 -3.381 1.316
133 HB2 TYR 19 HB2 TYR 19 -2.262 -2.436 -0.848
134 HB3 TYR 19 HB3 TYR 19 -3.971 -2.016 -0.834
135 HD1 TYR 19 HD2 TYR 19 -4.972 -0.757 1.118
136 HD2 TYR 19 HD1 TYR 19 -0.730 -1.364 0.719
137 HE1 TYR 19 HE2 TYR 19 -4.563 0.988 2.836
138 HE2 TYR 19 HE1 TYR 19 -0.308 0.418 2.406
139 HH TYR 19 HH TYR 19 -2.984 2.162 4.044
140 H CYS 20 HN CYS 20 -2.901 -6.109 0.133
141 HA CYS 20 HA CYS 20 -5.048 -6.597 -1.878
142 HB2 CYS 20 HB2 CYS 20 -2.612 -8.174 -1.066
143 HB3 CYS 20 HB3 CYS 20 -3.870 -8.797 -2.136
144 H ASN 21 H ASN 21 -6.322 -8.564 -1.730
145 HA ASN 21 HA ASN 21 -7.792 -8.488 0.701
146 HB2 ASN 21 HB2 ASN 21 -8.606 -8.974 -1.707
147 HB3 ASN 21 HB3 ASN 21 -8.083 -10.631 -1.430
148 HD21 ASN 21 HD21 ASN 21 -10.157 -8.041 -0.086
149 HD22 ASN 21 HD22 ASN 21 -11.342 -9.150 0.600
150 H1 PHE 1 H1 PHE 1 9.057 -4.652 -10.690
151 H2 PHE 1 H2 PHE 1 9.335 -3.290 -9.820
152 H3 PHE 1 H3 PHE 1 8.243 -4.397 -9.291
153 HA PHE 1 HA PHE 1 9.947 -6.032 -8.926
154 HB2 PHE 1 HB2 PHE 1 11.429 -5.194 -10.775
155 HB3 PHE 1 HB3 PHE 1 11.853 -3.810 -9.784
156 HD1 PHE 1 HD1 PHE 1 11.834 -7.588 -9.699
157 HD2 PHE 1 HD2 PHE 1 13.809 -3.949 -8.450
158 HE1 PHE 1 HE1 PHE 1 13.671 -8.919 -8.696
159 HE2 PHE 1 HE2 PHE 1 15.637 -5.285 -7.451
160 HZ PHE 1 HZ PHE 1 15.573 -7.775 -7.563
161 H VAL 2 H VAL 2 11.392 -5.995 -6.915
162 HA VAL 2 HA VAL 2 10.094 -4.440 -4.870
163 HB VAL 2 HB VAL 2 11.019 -6.736 -4.577
164 HG11 VAL 2 HG11 VAL 2 13.726 -5.378 -4.259
165 HG12 VAL 2 HG12 VAL 2 13.340 -7.079 -3.938
166 HG13 VAL 2 HG13 VAL 2 13.256 -6.454 -5.591
167 HG21 VAL 2 HG21 VAL 2 11.968 -4.741 -2.486
168 HG22 VAL 2 HG22 VAL 2 10.297 -5.322 -2.674
169 HG23 VAL 2 HG23 VAL 2 11.587 -6.451 -2.241
170 H ASN 3 H ASN 3 10.849 -2.751 -3.580
171 HA ASN 3 HA ASN 3 11.896 -0.842 -3.025
172 HB2 ASN 3 HB2 ASN 3 13.715 -2.565 -2.588
173 HB3 ASN 3 HB3 ASN 3 14.478 -2.044 -4.089
174 HD21 ASN 3 HD21 ASN 3 15.078 0.336 -4.213
175 HD22 ASN 3 HD22 ASN 3 15.545 1.127 -2.710
176 H GLN 4 H GLN 4 10.429 -0.252 -4.977
177 HA GLN 4 HA GLN 4 11.904 1.574 -6.744
178 HB2 GLN 4 HB2 GLN 4 11.906 -0.670 -7.883
179 HB3 GLN 4 HB3 GLN 4 10.145 -0.666 -7.836
180 HG2 GLN 4 HG2 GLN 4 11.128 -0.084 -10.054
181 HG3 GLN 4 HG3 GLN 4 10.028 1.134 -9.429
182 HE21 GLN 4 HE21 GLN 4 13.477 0.438 -10.113
183 HE22 GLN 4 HE22 GLN 4 13.982 2.114 -9.933
184 H HIS 5 H HIS 5 10.343 3.001 -7.995
185 HA HIS 5 HA HIS 5 7.997 3.705 -6.371
186 HB2 HIS 5 HB2 HIS 5 9.066 4.817 -9.008
187 HB3 HIS 5 HB3 HIS 5 7.751 5.503 -8.068
188 HD1 HIS 5 HD1 HIS 5 8.542 6.407 -5.494
189 HD2 HIS 5 HD2 HIS 5 11.446 5.752 -8.464
190 HE1 HIS 5 HE1 HIS 5 10.569 7.815 -4.848
191 H LEU 6 H LEU 6 5.860 3.526 -7.101
192 HA LEU 6 HA LEU 6 5.185 2.405 -9.754
193 HB2 LEU 6 HB2 LEU 6 4.325 1.185 -7.096
194 HB3 LEU 6 HB3 LEU 6 3.493 0.869 -8.603
195 HG LEU 6 HG LEU 6 6.429 0.190 -8.139
196 HD11 LEU 6 HD11 LEU 6 5.066 -1.041 -6.557
197 HD12 LEU 6 HD12 LEU 6 5.612 -2.138 -7.838
198 HD13 LEU 6 HD13 LEU 6 3.940 -1.521 -7.833
199 HD21 LEU 6 HD21 LEU 6 6.084 -1.301 -10.098
200 HD22 LEU 6 HD22 LEU 6 5.814 0.393 -10.539
201 HD23 LEU 6 HD23 LEU 6 4.426 -0.684 -10.274
202 H CYS 7 HN CYS 7 3.295 3.274 -10.571
203 HA CYS 7 HA CYS 7 1.448 4.718 -8.770
204 HB2 CYS 7 HB2 CYS 7 3.502 6.139 -9.494
205 HB3 CYS 7 HB3 CYS 7 2.732 6.213 -11.071
206 H GLY 8 H GLY 8 -0.593 5.080 -9.626
207 HA2 GLY 8 HA2 GLY 8 -2.461 4.723 -10.952
208 HA3 GLY 8 HA3 GLY 8 -1.382 5.193 -12.265
209 H SER 9 H SER 9 -1.520 3.857 -13.903
210 HA SER 9 HA SER 9 -2.629 1.259 -13.978
211 HB2 SER 9 HB2 SER 9 -1.584 1.170 -16.227
212 HB3 SER 9 HB3 SER 9 -2.428 2.697 -15.928
213 HG SER 9 HG SER 9 -0.427 3.159 -16.846
214 H HIS 10 H HIS 10 0.766 2.244 -13.394
215 HA HIS 10 HA HIS 10 1.818 -0.463 -13.751
216 HB2 HIS 10 HB2 HIS 10 3.004 2.120 -12.645
217 HB3 HIS 10 HB3 HIS 10 3.879 0.613 -12.810
218 HD1 HIS 10 HD1 HIS 10 1.608 2.259 -15.545
219 HD2 HIS 10 HD2 HIS 10 5.568 1.094 -14.714
220 HE1 HIS 10 HE1 HIS 10 2.927 2.642 -17.675
221 H LEU 11 H LEU 11 0.827 1.561 -10.986
222 HA LEU 11 HA LEU 11 1.553 -0.359 -8.952
223 HB2 LEU 11 HB2 LEU 11 1.197 2.039 -8.485
224 HB3 LEU 11 HB3 LEU 11 -0.487 1.914 -8.984
225 HG LEU 11 HG LEU 11 -0.980 0.441 -7.075
226 HD11 LEU 11 HD11 LEU 11 1.954 0.865 -6.324
227 HD12 LEU 11 HD12 LEU 11 1.185 -0.681 -6.749
228 HD13 LEU 11 HD13 LEU 11 0.719 0.158 -5.261
229 HD21 LEU 11 HD21 LEU 11 -0.742 2.154 -5.314
230 HD22 LEU 11 HD22 LEU 11 -1.177 2.898 -6.864
231 HD23 LEU 11 HD23 LEU 11 0.497 2.989 -6.275
232 H VAL 12 H VAL 12 -1.483 0.285 -10.696
233 HA VAL 12 HA VAL 12 -3.064 -1.786 -9.547
234 HB VAL 12 HB VAL 12 -3.148 -0.338 -12.202
235 HG11 VAL 12 HG11 VAL 12 -4.134 -2.468 -12.788
236 HG12 VAL 12 HG12 VAL 12 -5.104 -2.487 -11.300
237 HG13 VAL 12 HG13 VAL 12 -5.436 -1.295 -12.575
238 HG21 VAL 12 HG21 VAL 12 -5.014 -0.345 -9.787
239 HG22 VAL 12 HG22 VAL 12 -3.785 0.888 -10.123
240 HG23 VAL 12 HG23 VAL 12 -5.157 0.692 -11.220
241 H GLU 13 H GLU 13 -0.991 -1.902 -12.510
242 HA GLU 13 HA GLU 13 -1.449 -4.654 -13.071
243 HB2 GLU 13 HB2 GLU 13 -0.505 -2.994 -14.646
244 HB3 GLU 13 HB3 GLU 13 0.985 -2.928 -13.699
245 HG2 GLU 13 HG2 GLU 13 1.435 -5.290 -14.181
246 HG3 GLU 13 HG3 GLU 13 -0.127 -5.456 -14.996
247 H ALA 14 H ALA 14 1.132 -3.099 -11.071
248 HA ALA 14 HA ALA 14 2.502 -5.502 -10.408
249 HB1 ALA 14 HB1 ALA 14 3.454 -4.144 -8.582
250 HB2 ALA 14 HB2 ALA 14 3.435 -3.239 -10.105
251 HB3 ALA 14 HB3 ALA 14 2.223 -2.892 -8.851
252 H LEU 15 H LEU 15 -0.219 -3.836 -8.700
253 HA LEU 15 HA LEU 15 -0.422 -5.690 -6.539
254 HB2 LEU 15 HB2 LEU 15 -2.438 -3.883 -7.923
255 HB3 LEU 15 HB3 LEU 15 -2.853 -4.861 -6.527
256 HG LEU 15 HG LEU 15 -0.532 -2.901 -6.427
257 HD11 LEU 15 HD11 LEU 15 -2.049 -1.260 -5.431
258 HD12 LEU 15 HD12 LEU 15 -3.438 -2.338 -5.704
259 HD13 LEU 15 HD13 LEU 15 -2.563 -1.641 -7.083
260 HD21 LEU 15 HD21 LEU 15 -2.333 -4.037 -4.229
261 HD22 LEU 15 HD22 LEU 15 -0.917 -2.990 -4.008
262 HD23 LEU 15 HD23 LEU 15 -0.710 -4.636 -4.618
263 H TYR 16 H TYR 16 -1.985 -5.822 -9.794
264 HA TYR 16 HA TYR 16 -3.338 -8.324 -9.302
265 HB2 TYR 16 HB2 TYR 16 -2.415 -6.943 -11.844
266 HB3 TYR 16 HB3 TYR 16 -3.244 -8.483 -11.856
267 HD1 TYR 16 HD1 TYR 16 -5.447 -8.282 -9.988
268 HD2 TYR 16 HD2 TYR 16 -3.887 -5.354 -12.746
269 HE1 TYR 16 HE1 TYR 16 -7.681 -7.234 -10.133
270 HE2 TYR 16 HE2 TYR 16 -6.141 -4.330 -12.925
271 HH TYR 16 HH TYR 16 -8.973 -5.578 -11.097
272 H LEU 17 H LEU 17 -0.084 -7.661 -10.703
273 HA LEU 17 HA LEU 17 0.523 -10.434 -11.212
274 HB2 LEU 17 HB2 LEU 17 2.249 -7.944 -10.839
275 HB3 LEU 17 HB3 LEU 17 2.927 -9.519 -11.238
276 HG LEU 17 HG LEU 17 0.876 -8.099 -12.981
277 HD11 LEU 17 HD11 LEU 17 3.914 -8.273 -13.259
278 HD12 LEU 17 HD12 LEU 17 2.989 -6.808 -12.842
279 HD13 LEU 17 HD13 LEU 17 2.796 -7.549 -14.436
280 HD21 LEU 17 HD21 LEU 17 1.654 -9.702 -14.714
281 HD22 LEU 17 HD22 LEU 17 0.875 -10.524 -13.359
282 HD23 LEU 17 HD23 LEU 17 2.652 -10.526 -13.494
283 H VAL 18 H VAL 18 1.252 -8.372 -8.390
284 HA VAL 18 HA VAL 18 2.793 -10.388 -7.027
285 HB VAL 18 HB VAL 18 1.492 -7.805 -6.074
286 HG11 VAL 18 HG11 VAL 18 2.955 -7.960 -4.058
287 HG12 VAL 18 HG12 VAL 18 1.696 -9.194 -4.062
288 HG13 VAL 18 HG13 VAL 18 3.368 -9.630 -4.494
289 HG21 VAL 18 HG21 VAL 18 4.412 -8.591 -6.536
290 HG22 VAL 18 HG22 VAL 18 3.447 -7.690 -7.710
291 HG23 VAL 18 HG23 VAL 18 3.793 -6.977 -6.134
292 H CYS 19 HN CYS 19 -0.639 -9.317 -6.616
293 HA CYS 19 HA CYS 19 -0.989 -11.323 -4.478
294 HB2 CYS 19 HB2 CYS 19 -2.815 -9.131 -5.490
295 HB3 CYS 19 HB3 CYS 19 -3.005 -10.060 -4.001
296 H GLY 20 H GLY 20 -1.844 -11.148 -7.843
297 HA2 GLY 20 HA2 GLY 20 -2.862 -12.758 -9.170
298 HA3 GLY 20 HA3 GLY 20 -3.066 -13.772 -7.736
299 H GLU 21 H GLU 21 -5.107 -14.429 -8.251
300 HA GLU 21 HA GLU 21 -7.233 -12.719 -9.123
301 HB2 GLU 21 HB2 GLU 21 -8.644 -14.693 -8.855
302 HB3 GLU 21 HB3 GLU 21 -7.166 -15.051 -9.731
303 HG2 GLU 21 HG2 GLU 21 -7.226 -15.612 -6.754
304 HG3 GLU 21 HG3 GLU 21 -8.143 -16.649 -7.833
305 H ARG 22 H ARG 22 -6.003 -13.123 -5.983
306 HA ARG 22 HA ARG 22 -8.257 -12.729 -4.288
307 HB2 ARG 22 HB2 ARG 22 -5.345 -11.875 -4.163
308 HB3 ARG 22 HB3 ARG 22 -6.470 -11.526 -2.855
309 HG2 ARG 22 HG2 ARG 22 -6.837 -13.813 -2.342
310 HG3 ARG 22 HG3 ARG 22 -6.110 -14.368 -3.863
311 HD2 ARG 22 HD2 ARG 22 -4.655 -14.722 -1.871
312 HD3 ARG 22 HD3 ARG 22 -3.920 -13.778 -3.173
313 HE ARG 22 HE ARG 22 -5.185 -12.383 -0.838
314 HH11 ARG 22 HH12 ARG 22 -2.175 -12.998 -2.642
315 HH12 ARG 22 HH11 ARG 22 -1.326 -11.757 -1.735
316 HH21 ARG 22 HH21 ARG 22 -4.084 -10.887 0.184
317 HH22 ARG 22 HH22 ARG 22 -2.347 -10.614 -0.178
318 H GLY 23 H GLY 23 -6.420 -10.418 -6.270
319 HA2 GLY 23 HA2 GLY 23 -6.911 -8.249 -6.928
320 HA3 GLY 23 HA3 GLY 23 -8.489 -8.377 -6.134
321 H PHE 24 H PHE 24 -7.460 -6.034 -6.012
322 HA PHE 24 HA PHE 24 -6.178 -5.703 -3.345
323 HB2 PHE 24 HB2 PHE 24 -5.103 -3.696 -4.256
324 HB3 PHE 24 HB3 PHE 24 -4.628 -5.174 -5.075
325 HD1 PHE 24 HD2 PHE 24 -6.763 -2.118 -5.425
326 HD2 PHE 24 HD1 PHE 24 -4.935 -5.468 -7.441
327 HE1 PHE 24 HE2 PHE 24 -7.372 -1.140 -7.628
328 HE2 PHE 24 HE1 PHE 24 -5.471 -4.442 -9.615
329 HZ PHE 24 HZ PHE 24 -6.733 -2.297 -9.721
330 H PHE 25 H PHE 25 -6.627 -3.951 -2.145
331 HA PHE 25 HA PHE 25 -9.213 -2.524 -2.536
332 HB2 PHE 25 HB2 PHE 25 -8.175 -4.052 -0.125
333 HB3 PHE 25 HB3 PHE 25 -9.445 -2.834 -0.013
334 HD1 PHE 25 HD1 PHE 25 -8.622 -6.116 -1.664
335 HD2 PHE 25 HD2 PHE 25 -11.690 -3.271 -0.610
336 HE1 PHE 25 HE1 PHE 25 -10.373 -7.665 -2.512
337 HE2 PHE 25 HE2 PHE 25 -13.432 -4.862 -1.377
338 HZ PHE 25 HZ PHE 25 -12.774 -7.053 -2.350
339 H TYR 26 H TYR 26 -6.714 -1.584 -3.331
340 HA TYR 26 HA TYR 26 -5.174 -0.281 -1.380
341 HB2 TYR 26 HB2 TYR 26 -3.860 0.494 -3.115
342 HB3 TYR 26 HB3 TYR 26 -4.445 -1.057 -3.635
343 HD1 TYR 26 HD1 TYR 26 -7.300 0.363 -4.574
344 HD2 TYR 26 HD2 TYR 26 -3.091 0.950 -5.340
345 HE1 TYR 26 HE1 TYR 26 -7.842 1.420 -6.733
346 HE2 TYR 26 HE2 TYR 26 -3.635 1.953 -7.542
347 HH TYR 26 HH TYR 26 -5.315 2.607 -8.986
348 H THR 27 H THR 27 -4.674 1.882 -0.913
349 HA THR 27 HA THR 27 -7.075 3.564 -0.786
350 HB THR 27 HB THR 27 -5.704 4.811 0.952
351 HG1 THR 27 HG1 THR 27 -4.051 3.290 1.810
352 HG21 THR 27 HG21 THR 27 -7.473 3.190 1.537
353 HG22 THR 27 HG22 THR 27 -6.111 3.080 2.668
354 HG23 THR 27 HG23 THR 27 -6.316 1.858 1.390
355 HA PRO 28 HA PRO 28 -5.477 6.304 -3.864
356 HB2 PRO 28 HB2 PRO 28 -7.268 8.332 -3.746
357 HB3 PRO 28 HB3 PRO 28 -7.732 6.680 -4.248
358 HG2 PRO 28 HG2 PRO 28 -7.989 7.921 -1.483
359 HG3 PRO 28 HG3 PRO 28 -9.256 7.079 -2.433
360 HD2 PRO 28 HD2 PRO 28 -7.792 5.783 -0.545
361 HD3 PRO 28 HD3 PRO 28 -8.286 4.971 -2.059
362 H LYS 29 H LYS 29 -4.818 8.685 -4.168
363 HA LYS 29 HA LYS 29 -3.159 9.581 -1.947
364 HB2 LYS 29 HB2 LYS 29 -2.493 11.364 -3.432
365 HB3 LYS 29 HB3 LYS 29 -2.362 9.792 -4.218
366 HG2 LYS 29 HG2 LYS 29 -4.331 10.209 -5.555
367 HG3 LYS 29 HG3 LYS 29 -4.680 11.720 -4.710
368 HD2 LYS 29 HD2 LYS 29 -2.146 11.263 -6.336
369 HD3 LYS 29 HD3 LYS 29 -3.634 11.953 -6.963
370 HE2 LYS 29 HE2 LYS 29 -2.629 13.905 -6.471
371 HE3 LYS 29 HE3 LYS 29 -3.434 13.639 -4.928
372 HZ1 LYS 29 HZ1 LYS 29 -1.080 14.304 -4.743
373 HZ2 LYS 29 HZ2 LYS 29 -0.597 12.946 -5.503
374 HZ3 LYS 29 HZ3 LYS 29 -1.302 12.868 -4.019
375 H THR 30 H THR 30 -6.274 10.622 -3.248
376 HA THR 30 HA THR 30 -6.786 12.463 -0.983
377 HB THR 30 HB THR 30 -6.744 13.545 -3.838
378 HG1 THR 30 HG1 THR 30 -4.881 13.911 -1.732
379 HG21 THR 30 HG21 THR 30 -6.915 15.735 -2.694
380 HG22 THR 30 HG22 THR 30 -7.050 14.902 -1.123
381 HG23 THR 30 HG23 THR 30 -8.314 14.714 -2.354
382 H LYS 31 H LYS 31 -8.032 11.941 -4.321
383 HA LYS 31 HA LYS 31 -10.770 12.258 -3.364
384 HB2 LYS 31 HB2 LYS 31 -9.670 11.645 -6.141
385 HB3 LYS 31 HB3 LYS 31 -11.320 12.121 -5.783
386 HG2 LYS 31 HG2 LYS 31 -8.830 13.840 -5.403
387 HG3 LYS 31 HG3 LYS 31 -10.007 13.987 -6.695
388 HD2 LYS 31 HD2 LYS 31 -10.569 14.502 -3.737
389 HD3 LYS 31 HD3 LYS 31 -10.271 15.726 -4.974
390 HE2 LYS 31 HE2 LYS 31 -12.265 14.936 -6.249
391 HE3 LYS 31 HE3 LYS 31 -12.605 13.753 -4.978
392 HZ1 LYS 31 HZ1 LYS 31 -12.582 16.703 -4.615
393 HZ2 LYS 31 HZ2 LYS 31 -12.884 15.621 -3.423
394 HZ3 LYS 31 HZ3 LYS 31 -13.914 15.763 -4.681
395 H ARG 32 H ARG 32 -12.518 10.872 -3.787
396 HA ARG 32 HA ARG 32 -12.183 8.050 -4.438
397 HB2 ARG 32 HB2 ARG 32 -11.442 8.142 -2.075
398 HB3 ARG 32 HB3 ARG 32 -12.990 8.836 -1.598
399 HG2 ARG 32 HG2 ARG 32 -12.933 6.208 -3.097
400 HG3 ARG 32 HG3 ARG 32 -12.482 6.229 -1.395
401 HD2 ARG 32 HD2 ARG 32 -14.600 7.049 -0.686
402 HD3 ARG 32 HD3 ARG 32 -15.128 7.416 -2.317
403 HE ARG 32 HE ARG 32 -15.110 4.800 -1.003
404 HH11 ARG 32 HH21 ARG 32 -15.309 6.357 -4.180
405 HH12 ARG 32 HH22 ARG 32 -16.131 4.975 -4.857
406 HH21 ARG 32 HH11 ARG 32 -16.151 3.118 -1.981
407 HH22 ARG 32 HH12 ARG 32 -16.575 3.210 -3.665
Start of MODEL 38
1 H1 GLY 1 1H GLY 1 -1.583 6.729 3.142
2 H2 GLY 1 2H GLY 1 -0.879 7.304 1.784
3 H3 GLY 1 3H GLY 1 -0.071 6.238 2.738
4 HA2 GLY 1 HA2 GLY 1 -1.720 4.516 2.274
5 HA3 GLY 1 HA3 GLY 1 -2.507 5.674 1.184
6 H ILE 2 H ILE 2 -1.607 3.138 0.315
7 HA ILE 2 HA ILE 2 1.034 3.016 -0.575
8 HB ILE 2 HB ILE 2 -0.580 1.159 -0.364
9 HG12 ILE 2 HG12 ILE 2 0.240 -0.244 -2.226
10 HG13 ILE 2 HG13 ILE 2 0.963 1.172 -2.979
11 HG21 ILE 2 HG21 ILE 2 -2.486 2.112 -1.645
12 HG22 ILE 2 HG22 ILE 2 -1.558 1.893 -3.146
13 HG23 ILE 2 HG23 ILE 2 -2.041 0.491 -2.178
14 HD11 ILE 2 HD11 ILE 2 1.636 0.154 -0.168
15 HD12 ILE 2 HD12 ILE 2 2.555 -0.248 -1.626
16 HD13 ILE 2 HD13 ILE 2 2.496 1.428 -1.066
17 H VAL 3 H VAL 3 -1.629 4.506 -2.293
18 HA VAL 3 HA VAL 3 -0.227 4.856 -4.766
19 HB VAL 3 HB VAL 3 -2.566 6.556 -3.835
20 HG11 VAL 3 HG11 VAL 3 -3.167 6.587 -6.261
21 HG12 VAL 3 HG12 VAL 3 -1.610 7.340 -5.963
22 HG13 VAL 3 HG13 VAL 3 -1.670 5.694 -6.630
23 HG21 VAL 3 HG21 VAL 3 -4.047 4.855 -4.935
24 HG22 VAL 3 HG22 VAL 3 -2.648 3.775 -5.085
25 HG23 VAL 3 HG23 VAL 3 -3.261 4.247 -3.485
26 H GLU 4 H GLU 4 -0.041 6.623 -1.827
27 HA GLU 4 HA GLU 4 1.507 8.857 -3.048
28 HB2 GLU 4 HB2 GLU 4 1.054 8.149 -0.123
29 HB3 GLU 4 HB3 GLU 4 1.773 9.625 -0.752
30 HG2 GLU 4 HG2 GLU 4 -0.341 10.367 -1.665
31 HG3 GLU 4 HG3 GLU 4 -1.110 8.812 -1.331
32 H GLN 5 H GLN 5 1.897 5.991 -0.950
33 HA GLN 5 HA GLN 5 4.603 6.465 -0.264
34 HB2 GLN 5 HB2 GLN 5 2.899 5.131 0.994
35 HB3 GLN 5 HB3 GLN 5 3.048 3.845 -0.212
36 HG2 GLN 5 HG2 GLN 5 5.378 3.467 0.396
37 HG3 GLN 5 HG3 GLN 5 5.359 4.850 1.494
38 HE21 GLN 5 HE21 GLN 5 4.082 4.661 3.537
39 HE22 GLN 5 HE22 GLN 5 3.631 3.060 4.097
40 H CYS 6 HN CYS 6 3.312 4.251 -2.809
41 HA CYS 6 HA CYS 6 5.969 3.378 -3.680
42 HB2 CYS 6 HB2 CYS 6 3.179 3.281 -4.885
43 HB3 CYS 6 HB3 CYS 6 4.599 2.617 -5.679
44 H CYS 7 HN CYS 7 4.300 6.321 -4.081
45 HA CYS 7 HA CYS 7 5.295 6.824 -6.852
46 HB2 CYS 7 HB2 CYS 7 2.872 6.883 -6.226
47 HB3 CYS 7 HB3 CYS 7 3.198 8.294 -5.226
48 H THR 8 H THR 8 5.226 8.449 -3.619
49 HA THR 8 HA THR 8 7.145 10.509 -4.519
50 HB THR 8 HB THR 8 6.960 11.376 -2.237
51 HG1 THR 8 HG1 THR 8 5.533 10.364 -0.798
52 HG21 THR 8 HG21 THR 8 5.242 12.027 -3.929
53 HG22 THR 8 HG22 THR 8 4.614 12.031 -2.270
54 HG23 THR 8 HG23 THR 8 4.208 10.700 -3.372
55 H SER 9 H SER 9 7.199 7.485 -2.755
56 HA SER 9 HA SER 9 10.187 7.587 -2.767
57 HB2 SER 9 HB2 SER 9 9.092 7.789 -0.437
58 HB3 SER 9 HB3 SER 9 8.600 6.091 -0.673
59 HG SER 9 HG SER 9 10.674 6.385 0.416
60 H ILE 10 H ILE 10 10.644 5.008 -2.052
61 HA ILE 10 HA ILE 10 9.589 3.466 -4.390
62 HB ILE 10 HB ILE 10 12.107 4.011 -4.079
63 HG12 ILE 10 HG12 ILE 10 11.113 1.215 -4.606
64 HG13 ILE 10 HG13 ILE 10 11.169 2.561 -5.741
65 HG21 ILE 10 HG21 ILE 10 13.433 2.568 -2.676
66 HG22 ILE 10 HG22 ILE 10 12.218 3.329 -1.649
67 HG23 ILE 10 HG23 ILE 10 12.008 1.640 -2.166
68 HD11 ILE 10 HD11 ILE 10 13.569 1.126 -4.539
69 HD12 ILE 10 HD12 ILE 10 13.021 1.097 -6.226
70 HD13 ILE 10 HD13 ILE 10 13.669 2.601 -5.538
71 H CYS 11 HN CYS 11 8.775 1.343 -4.110
72 HA CYS 11 HA CYS 11 8.310 0.496 -1.280
73 HB2 CYS 11 HB2 CYS 11 6.004 0.099 -1.679
74 HB3 CYS 11 HB3 CYS 11 6.369 1.747 -2.166
75 H SER 12 H SER 12 7.950 -1.610 -0.861
76 HA SER 12 HA SER 12 9.159 -3.580 -2.732
77 HB2 SER 12 HB2 SER 12 9.960 -3.415 -0.403
78 HB3 SER 12 HB3 SER 12 8.335 -3.808 0.188
79 HG SER 12 HG SER 12 9.851 -5.637 0.035
80 H LEU 13 H LEU 13 8.212 -5.714 -2.953
81 HA LEU 13 HA LEU 13 5.424 -5.806 -3.696
82 HB2 LEU 13 HB2 LEU 13 7.594 -7.901 -3.270
83 HB3 LEU 13 HB3 LEU 13 5.932 -8.341 -3.609
84 HG LEU 13 HG LEU 13 5.960 -7.173 -5.745
85 HD11 LEU 13 HD11 LEU 13 7.512 -5.352 -5.463
86 HD12 LEU 13 HD12 LEU 13 8.140 -6.398 -6.736
87 HD13 LEU 13 HD13 LEU 13 8.850 -6.472 -5.114
88 HD21 LEU 13 HD21 LEU 13 8.326 -9.059 -5.385
89 HD22 LEU 13 HD22 LEU 13 7.492 -8.713 -6.914
90 HD23 LEU 13 HD23 LEU 13 6.629 -9.544 -5.611
91 H TYR 14 H TYR 14 7.133 -6.444 -0.660
92 HA TYR 14 HA TYR 14 4.977 -7.677 0.774
93 HB2 TYR 14 HB2 TYR 14 7.283 -7.631 1.595
94 HB3 TYR 14 HB3 TYR 14 7.260 -5.870 1.674
95 HD1 TYR 14 HD2 TYR 14 5.693 -8.961 3.112
96 HD2 TYR 14 HD1 TYR 14 6.408 -4.736 3.612
97 HE1 TYR 14 HE2 TYR 14 4.778 -9.085 5.412
98 HE2 TYR 14 HE1 TYR 14 5.483 -4.852 5.921
99 HH TYR 14 HH TYR 14 4.262 -7.923 7.325
100 H GLN 15 H GLN 15 5.629 -4.266 0.027
101 HA GLN 15 HA GLN 15 3.501 -3.242 1.800
102 HB2 GLN 15 HB2 GLN 15 5.195 -1.936 -0.378
103 HB3 GLN 15 HB3 GLN 15 4.002 -1.076 0.587
104 HG2 GLN 15 HG2 GLN 15 5.226 -1.347 2.603
105 HG3 GLN 15 HG3 GLN 15 6.254 -2.618 1.937
106 HE21 GLN 15 HE21 GLN 15 5.582 0.937 1.632
107 HE22 GLN 15 HE22 GLN 15 7.214 1.276 1.051
108 H LEU 16 H LEU 16 3.918 -3.954 -1.695
109 HA LEU 16 HA LEU 16 1.307 -3.119 -2.534
110 HB2 LEU 16 HB2 LEU 16 3.175 -5.288 -3.581
111 HB3 LEU 16 HB3 LEU 16 1.745 -4.731 -4.430
112 HG LEU 16 HG LEU 16 4.159 -2.980 -3.752
113 HD11 LEU 16 HD11 LEU 16 4.646 -3.080 -6.149
114 HD12 LEU 16 HD12 LEU 16 3.264 -4.162 -6.412
115 HD13 LEU 16 HD13 LEU 16 4.663 -4.700 -5.456
116 HD21 LEU 16 HD21 LEU 16 2.107 -1.619 -3.911
117 HD22 LEU 16 HD22 LEU 16 1.701 -2.385 -5.464
118 HD23 LEU 16 HD23 LEU 16 3.138 -1.357 -5.314
119 H GLU 17 H GLU 17 2.410 -6.339 -1.324
120 HA GLU 17 HA GLU 17 -0.239 -7.477 -1.394
121 HB2 GLU 17 HB2 GLU 17 2.260 -8.244 0.160
122 HB3 GLU 17 HB3 GLU 17 0.723 -9.089 0.315
123 HG2 GLU 17 HG2 GLU 17 0.787 -9.324 -2.275
124 HG3 GLU 17 HG3 GLU 17 2.498 -8.912 -2.124
125 H ASN 18 H ASN 18 1.455 -5.599 1.184
126 HA ASN 18 HA ASN 18 -0.306 -6.237 3.292
127 HB2 ASN 18 HB2 ASN 18 1.904 -5.237 3.588
128 HB3 ASN 18 HB3 ASN 18 1.336 -3.737 2.838
129 HD21 ASN 18 HD21 ASN 18 0.741 -5.936 5.639
130 HD22 ASN 18 HD22 ASN 18 0.158 -4.661 6.688
131 H TYR 19 H TYR 19 -0.647 -3.782 0.753
132 HA TYR 19 HA TYR 19 -3.175 -2.726 1.886
133 HB2 TYR 19 HB2 TYR 19 -1.413 -2.019 -0.466
134 HB3 TYR 19 HB3 TYR 19 -3.055 -1.426 -0.368
135 HD1 TYR 19 HD1 TYR 19 0.212 -1.403 1.460
136 HD2 TYR 19 HD2 TYR 19 -3.696 0.373 1.051
137 HE1 TYR 19 HE1 TYR 19 0.949 0.517 2.846
138 HE2 TYR 19 HE2 TYR 19 -2.969 2.280 2.478
139 HH TYR 19 HH TYR 19 0.365 2.543 3.776
140 H CYS 20 HN CYS 20 -2.460 -5.527 0.232
141 HA CYS 20 HA CYS 20 -4.966 -5.592 -1.361
142 HB2 CYS 20 HB2 CYS 20 -2.701 -6.560 -2.121
143 HB3 CYS 20 HB3 CYS 20 -3.002 -7.847 -0.945
144 H ASN 21 H ASN 21 -6.210 -7.748 -1.102
145 HA ASN 21 HA ASN 21 -7.217 -7.954 1.650
146 HB2 ASN 21 HB2 ASN 21 -8.086 -9.121 -1.030
147 HB3 ASN 21 HB3 ASN 21 -8.893 -9.474 0.490
148 HD21 ASN 21 HD21 ASN 21 -10.046 -7.763 1.601
149 HD22 ASN 21 HD22 ASN 21 -10.535 -6.332 0.701
150 H1 PHE 1 H1 PHE 1 17.774 -5.039 -5.631
151 H2 PHE 1 H2 PHE 1 18.316 -4.640 -4.131
152 H3 PHE 1 H3 PHE 1 17.262 -3.657 -4.928
153 HA PHE 1 HA PHE 1 16.676 -6.385 -3.989
154 HB2 PHE 1 HB2 PHE 1 15.615 -3.739 -2.915
155 HB3 PHE 1 HB3 PHE 1 15.213 -5.334 -2.312
156 HD1 PHE 1 HD2 PHE 1 17.186 -6.820 -1.427
157 HD2 PHE 1 HD1 PHE 1 17.396 -2.530 -1.902
158 HE1 PHE 1 HE2 PHE 1 19.100 -6.732 0.157
159 HE2 PHE 1 HE1 PHE 1 19.298 -2.455 -0.316
160 HZ PHE 1 HZ PHE 1 20.167 -4.553 0.706
161 H VAL 2 H VAL 2 14.047 -6.431 -3.775
162 HA VAL 2 HA VAL 2 13.097 -6.335 -6.520
163 HB VAL 2 HB VAL 2 11.034 -7.333 -5.699
164 HG11 VAL 2 HG11 VAL 2 11.934 -9.434 -4.894
165 HG12 VAL 2 HG12 VAL 2 12.994 -8.767 -6.147
166 HG13 VAL 2 HG13 VAL 2 13.465 -8.663 -4.437
167 HG21 VAL 2 HG21 VAL 2 10.665 -7.902 -3.347
168 HG22 VAL 2 HG22 VAL 2 12.158 -7.073 -2.874
169 HG23 VAL 2 HG23 VAL 2 10.787 -6.150 -3.531
170 H ASN 3 H ASN 3 13.171 -3.879 -4.235
171 HA ASN 3 HA ASN 3 10.606 -2.766 -4.345
172 HB2 ASN 3 HB2 ASN 3 13.302 -1.409 -3.876
173 HB3 ASN 3 HB3 ASN 3 11.737 -0.678 -3.554
174 HD21 ASN 3 HD21 ASN 3 11.412 -0.591 -1.373
175 HD22 ASN 3 HD22 ASN 3 11.791 -1.896 -0.269
176 H GLN 4 H GLN 4 9.659 -1.031 -5.468
177 HA GLN 4 HA GLN 4 10.967 -0.012 -7.951
178 HB2 GLN 4 HB2 GLN 4 8.247 -1.401 -7.798
179 HB3 GLN 4 HB3 GLN 4 8.831 -0.473 -9.177
180 HG2 GLN 4 HG2 GLN 4 10.732 -2.065 -9.439
181 HG3 GLN 4 HG3 GLN 4 10.080 -3.040 -8.118
182 HE21 GLN 4 HE21 GLN 4 9.283 -1.798 -11.416
183 HE22 GLN 4 HE22 GLN 4 8.173 -3.106 -11.770
184 H HIS 5 H HIS 5 9.900 1.843 -8.865
185 HA HIS 5 HA HIS 5 8.177 3.423 -6.989
186 HB2 HIS 5 HB2 HIS 5 9.793 4.191 -9.456
187 HB3 HIS 5 HB3 HIS 5 8.603 5.238 -8.701
188 HD1 HIS 5 HD1 HIS 5 9.171 5.858 -5.981
189 HD2 HIS 5 HD2 HIS 5 12.230 4.468 -8.509
190 HE1 HIS 5 HE1 HIS 5 11.350 6.706 -4.998
191 H LEU 6 H LEU 6 6.047 3.541 -7.435
192 HA LEU 6 HA LEU 6 4.953 2.800 -10.098
193 HB2 LEU 6 HB2 LEU 6 4.412 1.373 -7.465
194 HB3 LEU 6 HB3 LEU 6 3.352 1.237 -8.862
195 HG LEU 6 HG LEU 6 6.289 0.428 -8.959
196 HD11 LEU 6 HD11 LEU 6 5.273 -0.860 -7.203
197 HD12 LEU 6 HD12 LEU 6 5.466 -1.893 -8.627
198 HD13 LEU 6 HD13 LEU 6 3.863 -1.230 -8.215
199 HD21 LEU 6 HD21 LEU 6 3.887 -0.300 -10.694
200 HD22 LEU 6 HD22 LEU 6 5.537 -0.922 -10.888
201 HD23 LEU 6 HD23 LEU 6 5.208 0.791 -11.160
202 H CYS 7 HN CYS 7 3.079 3.856 -10.561
203 HA CYS 7 HA CYS 7 1.464 5.091 -8.445
204 HB2 CYS 7 HB2 CYS 7 3.550 6.544 -9.139
205 HB3 CYS 7 HB3 CYS 7 2.589 6.955 -10.546
206 H GLY 8 H GLY 8 -0.583 5.852 -9.176
207 HA2 GLY 8 HA2 GLY 8 -2.521 5.805 -10.442
208 HA3 GLY 8 HA3 GLY 8 -1.456 6.137 -11.816
209 H SER 9 H SER 9 -2.116 4.868 -13.418
210 HA SER 9 HA SER 9 -3.460 2.381 -13.263
211 HB2 SER 9 HB2 SER 9 -2.764 2.197 -15.678
212 HB3 SER 9 HB3 SER 9 -3.589 3.707 -15.253
213 HG SER 9 HG SER 9 -1.705 4.078 -16.543
214 H HIS 10 H HIS 10 0.078 2.980 -13.700
215 HA HIS 10 HA HIS 10 0.745 0.203 -13.933
216 HB2 HIS 10 HB2 HIS 10 2.384 2.629 -13.095
217 HB3 HIS 10 HB3 HIS 10 3.049 1.031 -13.413
218 HD1 HIS 10 HD1 HIS 10 1.178 0.502 -16.117
219 HD2 HIS 10 HD2 HIS 10 3.648 3.782 -15.148
220 HE1 HIS 10 HE1 HIS 10 1.859 1.565 -18.315
221 H LEU 11 H LEU 11 0.326 2.216 -11.027
222 HA LEU 11 HA LEU 11 1.269 0.127 -9.227
223 HB2 LEU 11 HB2 LEU 11 1.235 2.483 -8.533
224 HB3 LEU 11 HB3 LEU 11 -0.514 2.556 -8.756
225 HG LEU 11 HG LEU 11 -0.839 0.954 -6.912
226 HD11 LEU 11 HD11 LEU 11 2.191 1.081 -6.562
227 HD12 LEU 11 HD12 LEU 11 1.256 -0.362 -7.029
228 HD13 LEU 11 HD13 LEU 11 1.042 0.347 -5.425
229 HD21 LEU 11 HD21 LEU 11 0.990 3.266 -6.169
230 HD22 LEU 11 HD22 LEU 11 -0.167 2.448 -5.099
231 HD23 LEU 11 HD23 LEU 11 -0.754 3.378 -6.497
232 H VAL 12 H VAL 12 -1.934 1.060 -10.495
233 HA VAL 12 HA VAL 12 -3.447 -0.913 -9.071
234 HB VAL 12 HB VAL 12 -3.968 0.442 -11.742
235 HG11 VAL 12 HG11 VAL 12 -6.333 -0.308 -11.519
236 HG12 VAL 12 HG12 VAL 12 -5.226 -1.650 -11.819
237 HG13 VAL 12 HG13 VAL 12 -5.851 -1.373 -10.180
238 HG21 VAL 12 HG21 VAL 12 -5.592 1.755 -10.457
239 HG22 VAL 12 HG22 VAL 12 -5.201 0.847 -8.984
240 HG23 VAL 12 HG23 VAL 12 -3.999 1.902 -9.724
241 H GLU 13 H GLU 13 -1.844 -1.108 -12.307
242 HA GLU 13 HA GLU 13 -2.392 -3.849 -12.866
243 HB2 GLU 13 HB2 GLU 13 -0.013 -2.084 -13.564
244 HB3 GLU 13 HB3 GLU 13 -0.222 -3.723 -14.174
245 HG2 GLU 13 HG2 GLU 13 -2.312 -3.108 -15.288
246 HG3 GLU 13 HG3 GLU 13 -2.196 -1.463 -14.678
247 H ALA 14 H ALA 14 0.439 -2.393 -11.133
248 HA ALA 14 HA ALA 14 1.754 -4.861 -10.642
249 HB1 ALA 14 HB1 ALA 14 3.078 -3.541 -9.036
250 HB2 ALA 14 HB2 ALA 14 2.855 -2.660 -10.554
251 HB3 ALA 14 HB3 ALA 14 1.892 -2.225 -9.123
252 H LEU 15 H LEU 15 -0.595 -3.070 -8.565
253 HA LEU 15 HA LEU 15 -0.475 -4.841 -6.317
254 HB2 LEU 15 HB2 LEU 15 -2.687 -3.077 -7.473
255 HB3 LEU 15 HB3 LEU 15 -2.894 -3.980 -5.975
256 HG LEU 15 HG LEU 15 -0.645 -1.968 -6.327
257 HD11 LEU 15 HD11 LEU 15 -2.073 -0.370 -5.094
258 HD12 LEU 15 HD12 LEU 15 -3.418 -1.535 -5.117
259 HD13 LEU 15 HD13 LEU 15 -2.831 -0.821 -6.633
260 HD21 LEU 15 HD21 LEU 15 -0.357 -3.604 -4.496
261 HD22 LEU 15 HD22 LEU 15 -1.947 -3.173 -3.845
262 HD23 LEU 15 HD23 LEU 15 -0.638 -1.976 -3.860
263 H TYR 16 H TYR 16 -2.511 -5.038 -9.292
264 HA TYR 16 HA TYR 16 -3.802 -7.495 -8.430
265 HB2 TYR 16 HB2 TYR 16 -3.477 -6.168 -11.142
266 HB3 TYR 16 HB3 TYR 16 -4.329 -7.688 -10.922
267 HD1 TYR 16 HD1 TYR 16 -6.005 -7.449 -8.628
268 HD2 TYR 16 HD2 TYR 16 -5.056 -4.480 -11.599
269 HE1 TYR 16 HE1 TYR 16 -8.163 -6.298 -8.163
270 HE2 TYR 16 HE2 TYR 16 -7.217 -3.346 -11.169
271 HH TYR 16 HH TYR 16 -9.168 -3.345 -9.934
272 H LEU 17 H LEU 17 -0.921 -6.877 -10.472
273 HA LEU 17 HA LEU 17 -0.432 -9.649 -11.090
274 HB2 LEU 17 HB2 LEU 17 1.344 -7.178 -11.028
275 HB3 LEU 17 HB3 LEU 17 1.928 -8.739 -11.575
276 HG LEU 17 HG LEU 17 -0.460 -7.343 -12.862
277 HD11 LEU 17 HD11 LEU 17 1.569 -5.951 -13.094
278 HD12 LEU 17 HD12 LEU 17 1.097 -6.663 -14.639
279 HD13 LEU 17 HD13 LEU 17 2.465 -7.344 -13.727
280 HD21 LEU 17 HD21 LEU 17 -0.397 -9.770 -13.280
281 HD22 LEU 17 HD22 LEU 17 1.307 -9.656 -13.784
282 HD23 LEU 17 HD23 LEU 17 0.033 -8.879 -14.747
283 H VAL 18 H VAL 18 0.884 -7.601 -8.467
284 HA VAL 18 HA VAL 18 2.602 -9.693 -7.458
285 HB VAL 18 HB VAL 18 1.757 -7.010 -6.312
286 HG11 VAL 18 HG11 VAL 18 2.337 -8.356 -4.385
287 HG12 VAL 18 HG12 VAL 18 3.802 -8.975 -5.186
288 HG13 VAL 18 HG13 VAL 18 3.675 -7.264 -4.730
289 HG21 VAL 18 HG21 VAL 18 4.075 -6.388 -6.967
290 HG22 VAL 18 HG22 VAL 18 4.374 -8.047 -7.525
291 HG23 VAL 18 HG23 VAL 18 3.218 -7.011 -8.375
292 H CYS 19 HN CYS 19 -0.660 -8.529 -6.454
293 HA CYS 19 HA CYS 19 -0.750 -10.363 -4.169
294 HB2 CYS 19 HB2 CYS 19 -1.825 -8.107 -4.284
295 HB3 CYS 19 HB3 CYS 19 -2.957 -8.742 -5.484
296 H GLY 20 H GLY 20 -1.727 -10.531 -7.551
297 HA2 GLY 20 HA2 GLY 20 -2.289 -12.400 -8.809
298 HA3 GLY 20 HA3 GLY 20 -2.284 -13.392 -7.334
299 H GLU 21 H GLU 21 -4.144 -14.422 -8.045
300 HA GLU 21 HA GLU 21 -6.510 -13.231 -8.946
301 HB2 GLU 21 HB2 GLU 21 -7.518 -15.409 -8.703
302 HB3 GLU 21 HB3 GLU 21 -5.876 -15.565 -9.312
303 HG2 GLU 21 HG2 GLU 21 -5.105 -16.159 -6.984
304 HG3 GLU 21 HG3 GLU 21 -6.777 -16.062 -6.435
305 H ARG 22 H ARG 22 -5.439 -13.267 -5.690
306 HA ARG 22 HA ARG 22 -7.829 -13.157 -4.163
307 HB2 ARG 22 HB2 ARG 22 -5.103 -11.843 -3.952
308 HB3 ARG 22 HB3 ARG 22 -6.354 -11.544 -2.738
309 HG2 ARG 22 HG2 ARG 22 -6.346 -13.740 -1.948
310 HG3 ARG 22 HG3 ARG 22 -5.659 -14.399 -3.433
311 HD2 ARG 22 HD2 ARG 22 -4.033 -14.460 -1.608
312 HD3 ARG 22 HD3 ARG 22 -3.490 -13.462 -2.959
313 HE ARG 22 HE ARG 22 -4.811 -11.939 -0.813
314 HH11 ARG 22 HH12 ARG 22 -1.672 -13.150 -1.935
315 HH12 ARG 22 HH11 ARG 22 -0.779 -11.992 -0.994
316 HH21 ARG 22 HH21 ARG 22 -3.706 -10.526 0.303
317 HH22 ARG 22 HH22 ARG 22 -1.942 -10.487 0.312
318 H GLY 23 H GLY 23 -6.116 -10.547 -5.919
319 HA2 GLY 23 HA2 GLY 23 -6.810 -8.492 -6.711
320 HA3 GLY 23 HA3 GLY 23 -8.491 -8.900 -6.298
321 H PHE 24 H PHE 24 -6.919 -6.375 -5.906
322 HA PHE 24 HA PHE 24 -7.025 -6.100 -2.942
323 HB2 PHE 24 HB2 PHE 24 -5.650 -4.248 -3.107
324 HB3 PHE 24 HB3 PHE 24 -4.959 -5.375 -4.252
325 HD1 PHE 24 HD1 PHE 24 -5.276 -4.971 -6.744
326 HD2 PHE 24 HD2 PHE 24 -6.512 -2.110 -3.754
327 HE1 PHE 24 HE1 PHE 24 -5.393 -3.196 -8.474
328 HE2 PHE 24 HE2 PHE 24 -6.662 -0.354 -5.497
329 HZ PHE 24 HZ PHE 24 -6.114 -0.902 -7.860
330 H PHE 25 H PHE 25 -7.937 -4.094 -2.093
331 HA PHE 25 HA PHE 25 -9.795 -2.546 -3.733
332 HB2 PHE 25 HB2 PHE 25 -11.195 -4.445 -2.965
333 HB3 PHE 25 HB3 PHE 25 -10.771 -4.095 -1.294
334 HD1 PHE 25 HD1 PHE 25 -12.679 -2.935 -4.256
335 HD2 PHE 25 HD2 PHE 25 -11.800 -2.231 -0.095
336 HE1 PHE 25 HE1 PHE 25 -14.648 -1.435 -4.096
337 HE2 PHE 25 HE2 PHE 25 -13.761 -0.716 0.061
338 HZ PHE 25 HZ PHE 25 -15.195 -0.318 -1.933
339 H TYR 26 H TYR 26 -9.301 -0.499 -3.247
340 HA TYR 26 HA TYR 26 -8.829 0.451 -0.521
341 HB2 TYR 26 HB2 TYR 26 -6.663 -0.644 -1.125
342 HB3 TYR 26 HB3 TYR 26 -6.556 0.380 -2.546
343 HD1 TYR 26 HD1 TYR 26 -7.098 0.691 1.168
344 HD2 TYR 26 HD2 TYR 26 -5.207 2.318 -2.353
345 HE1 TYR 26 HE1 TYR 26 -6.076 2.488 2.553
346 HE2 TYR 26 HE2 TYR 26 -4.186 4.115 -0.968
347 HH TYR 26 HH TYR 26 -4.787 4.381 2.562
348 H THR 27 H THR 27 -8.806 2.708 -0.324
349 HA THR 27 HA THR 27 -10.031 4.225 -2.532
350 HB THR 27 HB THR 27 -9.494 4.847 0.390
351 HG1 THR 27 HG1 THR 27 -11.727 4.607 0.452
352 HG21 THR 27 HG21 THR 27 -9.432 6.998 -0.756
353 HG22 THR 27 HG22 THR 27 -11.015 6.815 0.002
354 HG23 THR 27 HG23 THR 27 -10.835 6.567 -1.751
355 HA PRO 28 HA PRO 28 -5.838 5.602 -3.499
356 HB2 PRO 28 HB2 PRO 28 -6.300 6.947 -5.831
357 HB3 PRO 28 HB3 PRO 28 -6.413 5.163 -5.711
358 HG2 PRO 28 HG2 PRO 28 -8.675 7.181 -5.545
359 HG3 PRO 28 HG3 PRO 28 -8.588 5.711 -6.558
360 HD2 PRO 28 HD2 PRO 28 -9.868 5.747 -4.150
361 HD3 PRO 28 HD3 PRO 28 -8.970 4.303 -4.719
362 H LYS 29 H LYS 29 -4.668 7.669 -3.826
363 HA LYS 29 HA LYS 29 -5.312 9.524 -1.807
364 HB2 LYS 29 HB2 LYS 29 -3.353 10.727 -2.537
365 HB3 LYS 29 HB3 LYS 29 -3.056 8.988 -2.634
366 HG2 LYS 29 HG2 LYS 29 -3.479 9.083 -5.109
367 HG3 LYS 29 HG3 LYS 29 -3.678 10.844 -4.981
368 HD2 LYS 29 HD2 LYS 29 -1.373 11.047 -4.098
369 HD3 LYS 29 HD3 LYS 29 -1.172 9.283 -4.216
370 HE2 LYS 29 HE2 LYS 29 -1.632 9.453 -6.691
371 HE3 LYS 29 HE3 LYS 29 -1.716 11.212 -6.525
372 HZ1 LYS 29 HZ1 LYS 29 0.667 9.555 -5.915
373 HZ2 LYS 29 HZ2 LYS 29 0.596 11.193 -5.761
374 HZ3 LYS 29 HZ3 LYS 29 0.482 10.505 -7.237
375 H THR 30 H THR 30 -6.246 9.636 -5.164
376 HA THR 30 HA THR 30 -7.574 12.300 -4.876
377 HB THR 30 HB THR 30 -7.406 10.458 -7.302
378 HG1 THR 30 HG1 THR 30 -5.868 11.990 -7.984
379 HG21 THR 30 HG21 THR 30 -8.287 13.371 -6.981
380 HG22 THR 30 HG22 THR 30 -9.354 12.003 -7.346
381 HG23 THR 30 HG23 THR 30 -8.129 12.495 -8.522
382 H LYS 31 H LYS 31 -9.015 11.694 -3.288
383 HA LYS 31 HA LYS 31 -10.182 9.259 -2.926
384 HB2 LYS 31 HB2 LYS 31 -10.117 11.344 -1.407
385 HB3 LYS 31 HB3 LYS 31 -11.636 11.803 -2.180
386 HG2 LYS 31 HG2 LYS 31 -12.448 9.394 -1.493
387 HG3 LYS 31 HG3 LYS 31 -10.987 9.331 -0.517
388 HD2 LYS 31 HD2 LYS 31 -12.757 10.006 0.939
389 HD3 LYS 31 HD3 LYS 31 -11.733 11.411 0.671
390 HE2 LYS 31 HE2 LYS 31 -14.007 12.157 0.574
391 HE3 LYS 31 HE3 LYS 31 -13.382 12.214 -1.079
392 HZ1 LYS 31 HZ1 LYS 31 -15.595 11.220 -0.980
393 HZ2 LYS 31 HZ2 LYS 31 -15.084 10.041 0.029
394 HZ3 LYS 31 HZ3 LYS 31 -14.545 10.096 -1.514
395 H ARG 32 H ARG 32 -11.681 8.041 -3.741
396 HA ARG 32 HA ARG 32 -13.499 8.762 -5.892
397 HB2 ARG 32 HB2 ARG 32 -14.328 6.454 -5.639
398 HB3 ARG 32 HB3 ARG 32 -12.579 6.539 -5.806
399 HG2 ARG 32 HG2 ARG 32 -12.349 6.251 -3.329
400 HG3 ARG 32 HG3 ARG 32 -14.107 6.078 -3.202
401 HD2 ARG 32 HD2 ARG 32 -14.050 4.066 -4.554
402 HD3 ARG 32 HD3 ARG 32 -12.329 4.301 -4.922
403 HE ARG 32 HE ARG 32 -12.449 4.195 -2.136
404 HH11 ARG 32 HH11 ARG 32 -13.297 1.938 -4.674
405 HH12 ARG 32 HH12 ARG 32 -12.948 0.558 -3.663
406 HH21 ARG 32 HH21 ARG 32 -12.002 2.476 -0.960
407 HH22 ARG 32 HH22 ARG 32 -12.299 0.851 -1.564
Start of MODEL 39
1 H1 GLY 1 1H GLY 1 0.361 6.881 2.315
2 H2 GLY 1 2H GLY 1 0.591 5.335 2.818
3 H3 GLY 1 3H GLY 1 -0.538 6.277 3.546
4 HA2 GLY 1 HA2 GLY 1 -1.656 4.743 2.100
5 HA3 GLY 1 HA3 GLY 1 -1.831 6.409 1.516
6 H ILE 2 H ILE 2 -1.195 3.337 0.486
7 HA ILE 2 HA ILE 2 1.160 3.220 -0.812
8 HB ILE 2 HB ILE 2 -0.581 1.456 -0.481
9 HG12 ILE 2 HG12 ILE 2 0.113 0.039 -2.396
10 HG13 ILE 2 HG13 ILE 2 0.938 1.435 -3.096
11 HG21 ILE 2 HG21 ILE 2 -2.472 2.518 -1.691
12 HG22 ILE 2 HG22 ILE 2 -1.619 2.211 -3.229
13 HG23 ILE 2 HG23 ILE 2 -2.138 0.862 -2.212
14 HD11 ILE 2 HD11 ILE 2 1.507 0.284 -0.320
15 HD12 ILE 2 HD12 ILE 2 2.436 -0.118 -1.773
16 HD13 ILE 2 HD13 ILE 2 2.458 1.534 -1.145
17 H VAL 3 H VAL 3 -1.637 4.743 -2.384
18 HA VAL 3 HA VAL 3 -0.389 4.800 -4.921
19 HB VAL 3 HB VAL 3 -2.684 6.508 -3.964
20 HG11 VAL 3 HG11 VAL 3 -1.726 7.546 -5.979
21 HG12 VAL 3 HG12 VAL 3 -1.685 5.973 -6.806
22 HG13 VAL 3 HG13 VAL 3 -3.234 6.745 -6.403
23 HG21 VAL 3 HG21 VAL 3 -3.251 4.125 -3.855
24 HG22 VAL 3 HG22 VAL 3 -4.027 4.794 -5.293
25 HG23 VAL 3 HG23 VAL 3 -2.549 3.840 -5.460
26 H GLU 4 H GLU 4 -0.560 7.415 -2.458
27 HA GLU 4 HA GLU 4 1.255 9.100 -4.024
28 HB2 GLU 4 HB2 GLU 4 -0.409 9.949 -2.368
29 HB3 GLU 4 HB3 GLU 4 0.568 9.272 -1.058
30 HG2 GLU 4 HG2 GLU 4 2.399 10.758 -1.552
31 HG3 GLU 4 HG3 GLU 4 1.730 11.177 -3.132
32 H GLN 5 H GLN 5 1.607 6.688 -1.426
33 HA GLN 5 HA GLN 5 4.251 7.357 -0.620
34 HB2 GLN 5 HB2 GLN 5 2.559 6.222 0.684
35 HB3 GLN 5 HB3 GLN 5 2.598 4.821 -0.394
36 HG2 GLN 5 HG2 GLN 5 4.837 4.239 0.377
37 HG3 GLN 5 HG3 GLN 5 4.896 5.684 1.400
38 HE21 GLN 5 HE21 GLN 5 4.897 2.643 2.144
39 HE22 GLN 5 HE22 GLN 5 3.562 2.563 3.284
40 H CYS 6 HN CYS 6 3.160 4.788 -2.934
41 HA CYS 6 HA CYS 6 5.855 3.911 -3.579
42 HB2 CYS 6 HB2 CYS 6 3.134 3.658 -4.919
43 HB3 CYS 6 HB3 CYS 6 4.604 3.031 -5.639
44 H CYS 7 HN CYS 7 4.031 6.704 -4.570
45 HA CYS 7 HA CYS 7 5.545 6.923 -7.121
46 HB2 CYS 7 HB2 CYS 7 3.056 7.054 -7.025
47 HB3 CYS 7 HB3 CYS 7 3.196 8.551 -6.105
48 H THR 8 H THR 8 5.062 8.742 -4.105
49 HA THR 8 HA THR 8 7.007 10.840 -4.856
50 HB THR 8 HB THR 8 6.542 11.775 -2.640
51 HG1 THR 8 HG1 THR 8 4.646 9.668 -2.398
52 HG21 THR 8 HG21 THR 8 4.007 11.080 -4.192
53 HG22 THR 8 HG22 THR 8 5.108 12.431 -4.532
54 HG23 THR 8 HG23 THR 8 4.201 12.391 -3.008
55 H SER 9 H SER 9 7.095 7.801 -3.157
56 HA SER 9 HA SER 9 10.002 8.175 -2.721
57 HB2 SER 9 HB2 SER 9 8.724 8.636 -0.576
58 HB3 SER 9 HB3 SER 9 8.193 6.947 -0.610
59 HG SER 9 HG SER 9 10.131 7.344 0.654
60 H ILE 10 H ILE 10 10.540 5.728 -1.650
61 HA ILE 10 HA ILE 10 9.959 3.852 -3.930
62 HB ILE 10 HB ILE 10 12.103 3.822 -1.771
63 HG12 ILE 10 HG12 ILE 10 12.260 4.235 -4.791
64 HG13 ILE 10 HG13 ILE 10 12.453 5.499 -3.567
65 HG21 ILE 10 HG21 ILE 10 11.408 1.493 -2.338
66 HG22 ILE 10 HG22 ILE 10 11.702 1.854 -4.055
67 HG23 ILE 10 HG23 ILE 10 13.038 1.836 -2.891
68 HD11 ILE 10 HD11 ILE 10 14.479 4.304 -2.697
69 HD12 ILE 10 HD12 ILE 10 14.359 3.201 -4.097
70 HD13 ILE 10 HD13 ILE 10 14.618 4.930 -4.350
71 H CYS 11 HN CYS 11 8.782 2.045 -3.633
72 HA CYS 11 HA CYS 11 8.079 1.220 -0.854
73 HB2 CYS 11 HB2 CYS 11 5.848 0.772 -1.448
74 HB3 CYS 11 HB3 CYS 11 6.206 2.395 -1.985
75 H SER 12 H SER 12 6.892 -1.141 -1.221
76 HA SER 12 HA SER 12 8.725 -2.893 -2.757
77 HB2 SER 12 HB2 SER 12 9.260 -4.169 -0.752
78 HB3 SER 12 HB3 SER 12 9.757 -2.490 -0.537
79 HG SER 12 HG SER 12 8.595 -3.506 1.281
80 H LEU 13 H LEU 13 8.077 -5.186 -2.671
81 HA LEU 13 HA LEU 13 5.338 -5.570 -3.320
82 HB2 LEU 13 HB2 LEU 13 7.353 -7.631 -2.357
83 HB3 LEU 13 HB3 LEU 13 5.874 -7.951 -3.275
84 HG LEU 13 HG LEU 13 8.410 -6.587 -4.240
85 HD11 LEU 13 HD11 LEU 13 8.495 -8.505 -5.793
86 HD12 LEU 13 HD12 LEU 13 6.994 -9.145 -5.096
87 HD13 LEU 13 HD13 LEU 13 8.467 -9.044 -4.104
88 HD21 LEU 13 HD21 LEU 13 5.784 -6.913 -5.744
89 HD22 LEU 13 HD22 LEU 13 7.339 -6.482 -6.491
90 HD23 LEU 13 HD23 LEU 13 6.595 -5.385 -5.324
91 H TYR 14 H TYR 14 6.968 -5.883 -0.174
92 HA TYR 14 HA TYR 14 4.759 -7.059 1.243
93 HB2 TYR 14 HB2 TYR 14 7.129 -7.024 1.991
94 HB3 TYR 14 HB3 TYR 14 7.022 -5.285 2.238
95 HD1 TYR 14 HD1 TYR 14 5.589 -8.564 3.336
96 HD2 TYR 14 HD2 TYR 14 6.183 -4.401 4.300
97 HE1 TYR 14 HE1 TYR 14 4.733 -8.968 5.646
98 HE2 TYR 14 HE2 TYR 14 5.338 -4.806 6.602
99 HH TYR 14 HH TYR 14 4.512 -6.356 8.090
100 H GLN 15 H GLN 15 5.408 -3.734 0.259
101 HA GLN 15 HA GLN 15 3.238 -2.607 1.950
102 HB2 GLN 15 HB2 GLN 15 5.045 -1.407 -0.194
103 HB3 GLN 15 HB3 GLN 15 3.776 -0.514 0.655
104 HG2 GLN 15 HG2 GLN 15 4.847 -0.788 2.794
105 HG3 GLN 15 HG3 GLN 15 6.003 -1.950 2.156
106 HE21 GLN 15 HE21 GLN 15 7.930 -1.204 1.219
107 HE22 GLN 15 HE22 GLN 15 8.323 0.519 1.216
108 H LEU 16 H LEU 16 3.715 -3.684 -1.440
109 HA LEU 16 HA LEU 16 1.077 -2.899 -2.338
110 HB2 LEU 16 HB2 LEU 16 2.938 -5.123 -3.294
111 HB3 LEU 16 HB3 LEU 16 1.515 -4.577 -4.149
112 HG LEU 16 HG LEU 16 4.013 -2.915 -3.588
113 HD11 LEU 16 HD11 LEU 16 4.373 -3.074 -6.020
114 HD12 LEU 16 HD12 LEU 16 2.928 -4.104 -6.174
115 HD13 LEU 16 HD13 LEU 16 4.357 -4.670 -5.275
116 HD21 LEU 16 HD21 LEU 16 3.053 -1.242 -5.101
117 HD22 LEU 16 HD22 LEU 16 2.028 -1.444 -3.674
118 HD23 LEU 16 HD23 LEU 16 1.549 -2.190 -5.216
119 H GLU 17 H GLU 17 2.290 -5.966 -0.960
120 HA GLU 17 HA GLU 17 -0.049 -7.507 -0.853
121 HB2 GLU 17 HB2 GLU 17 2.342 -7.199 0.981
122 HB3 GLU 17 HB3 GLU 17 1.051 -8.279 1.426
123 HG2 GLU 17 HG2 GLU 17 2.523 -8.457 -1.238
124 HG3 GLU 17 HG3 GLU 17 3.043 -9.301 0.217
125 H ASN 18 H ASN 18 0.885 -4.822 1.359
126 HA ASN 18 HA ASN 18 -1.061 -5.306 3.360
127 HB2 ASN 18 HB2 ASN 18 0.956 -3.864 3.574
128 HB3 ASN 18 HB3 ASN 18 0.198 -2.679 2.517
129 HD21 ASN 18 HD21 ASN 18 -1.302 -1.206 3.428
130 HD22 ASN 18 HD22 ASN 18 -1.766 -1.273 5.118
131 H TYR 19 H TYR 19 -1.455 -3.889 0.188
132 HA TYR 19 HA TYR 19 -4.209 -2.925 0.844
133 HB2 TYR 19 HB2 TYR 19 -2.216 -2.060 -1.253
134 HB3 TYR 19 HB3 TYR 19 -3.919 -1.614 -1.317
135 HD1 TYR 19 HD1 TYR 19 -0.780 -1.177 0.614
136 HD2 TYR 19 HD2 TYR 19 -4.938 -0.097 0.291
137 HE1 TYR 19 HE1 TYR 19 -0.417 0.696 2.216
138 HE2 TYR 19 HE2 TYR 19 -4.583 1.782 1.878
139 HH TYR 19 HH TYR 19 -3.075 2.900 3.200
140 H CYS 20 HN CYS 20 -3.090 -5.751 -0.032
141 HA CYS 20 HA CYS 20 -5.035 -6.362 -2.189
142 HB2 CYS 20 HB2 CYS 20 -3.272 -8.150 -0.473
143 HB3 CYS 20 HB3 CYS 20 -4.265 -8.684 -1.819
144 H ASN 21 H ASN 21 -6.698 -8.078 -1.769
145 HA ASN 21 HA ASN 21 -8.344 -7.578 0.560
146 HB2 ASN 21 HB2 ASN 21 -8.357 -9.647 -1.665
147 HB3 ASN 21 HB3 ASN 21 -9.450 -9.784 -0.300
148 HD21 ASN 21 HD22 ASN 21 -10.733 -7.683 0.218
149 HD22 ASN 21 HD21 ASN 21 -11.397 -6.889 -1.204
150 H1 PHE 1 H1 PHE 1 10.190 -4.914 -9.982
151 H2 PHE 1 H2 PHE 1 11.464 -4.513 -10.931
152 H3 PHE 1 H3 PHE 1 10.910 -3.450 -9.822
153 HA PHE 1 HA PHE 1 12.188 -6.046 -9.277
154 HB2 PHE 1 HB2 PHE 1 13.728 -4.261 -10.068
155 HB3 PHE 1 HB3 PHE 1 13.223 -3.233 -8.739
156 HD1 PHE 1 HD1 PHE 1 14.564 -6.735 -9.315
157 HD2 PHE 1 HD2 PHE 1 14.649 -3.173 -6.867
158 HE1 PHE 1 HE1 PHE 1 16.316 -7.753 -7.890
159 HE2 PHE 1 HE2 PHE 1 16.394 -4.209 -5.446
160 HZ PHE 1 HZ PHE 1 17.236 -6.493 -5.961
161 H VAL 2 H VAL 2 12.765 -6.280 -6.850
162 HA VAL 2 HA VAL 2 10.302 -6.294 -5.448
163 HB VAL 2 HB VAL 2 11.547 -7.102 -3.483
164 HG11 VAL 2 HG11 VAL 2 12.409 -8.450 -6.078
165 HG12 VAL 2 HG12 VAL 2 12.326 -9.185 -4.466
166 HG13 VAL 2 HG13 VAL 2 10.843 -8.653 -5.266
167 HG21 VAL 2 HG21 VAL 2 14.078 -6.793 -5.151
168 HG22 VAL 2 HG22 VAL 2 13.666 -5.779 -3.748
169 HG23 VAL 2 HG23 VAL 2 13.937 -7.519 -3.537
170 H ASN 3 H ASN 3 12.753 -3.829 -5.420
171 HA ASN 3 HA ASN 3 11.044 -2.159 -3.636
172 HB2 ASN 3 HB2 ASN 3 14.092 -2.356 -3.673
173 HB3 ASN 3 HB3 ASN 3 13.222 -0.990 -2.993
174 HD21 ASN 3 HD21 ASN 3 12.013 -1.239 -1.027
175 HD22 ASN 3 HD22 ASN 3 12.258 -2.652 -0.017
176 H GLN 4 H GLN 4 10.387 -0.284 -4.704
177 HA GLN 4 HA GLN 4 11.928 0.929 -6.864
178 HB2 GLN 4 HB2 GLN 4 10.757 -1.380 -7.692
179 HB3 GLN 4 HB3 GLN 4 9.342 -0.348 -7.781
180 HG2 GLN 4 HG2 GLN 4 10.754 1.195 -9.310
181 HG3 GLN 4 HG3 GLN 4 11.979 -0.068 -9.292
182 HE21 GLN 4 HE21 GLN 4 8.725 0.851 -10.382
183 HE22 GLN 4 HE22 GLN 4 8.543 -0.505 -11.496
184 H HIS 5 H HIS 5 10.663 2.624 -8.043
185 HA HIS 5 HA HIS 5 8.486 3.849 -6.449
186 HB2 HIS 5 HB2 HIS 5 9.849 4.693 -9.054
187 HB3 HIS 5 HB3 HIS 5 8.608 5.612 -8.202
188 HD1 HIS 5 HD1 HIS 5 9.422 6.506 -5.642
189 HD2 HIS 5 HD2 HIS 5 12.315 5.222 -8.414
190 HE1 HIS 5 HE1 HIS 5 11.611 7.632 -4.970
191 H LEU 6 H LEU 6 6.363 3.875 -7.242
192 HA LEU 6 HA LEU 6 5.659 2.821 -9.905
193 HB2 LEU 6 HB2 LEU 6 4.690 1.647 -7.264
194 HB3 LEU 6 HB3 LEU 6 3.825 1.435 -8.773
195 HG LEU 6 HG LEU 6 6.671 0.455 -8.343
196 HD11 LEU 6 HD11 LEU 6 4.012 -0.990 -8.042
197 HD12 LEU 6 HD12 LEU 6 5.173 -0.641 -6.753
198 HD13 LEU 6 HD13 LEU 6 5.612 -1.767 -8.045
199 HD21 LEU 6 HD21 LEU 6 6.027 0.762 -10.731
200 HD22 LEU 6 HD22 LEU 6 4.558 -0.193 -10.457
201 HD23 LEU 6 HD23 LEU 6 6.152 -0.954 -10.319
202 H CYS 7 HN CYS 7 4.187 4.171 -10.771
203 HA CYS 7 HA CYS 7 2.392 5.811 -9.017
204 HB2 CYS 7 HB2 CYS 7 3.817 6.470 -11.621
205 HB3 CYS 7 HB3 CYS 7 2.616 7.487 -10.868
206 H GLY 8 H GLY 8 0.293 6.062 -9.694
207 HA2 GLY 8 HA2 GLY 8 -1.717 5.592 -10.743
208 HA3 GLY 8 HA3 GLY 8 -0.792 6.076 -12.158
209 H SER 9 H SER 9 -1.024 4.757 -13.803
210 HA SER 9 HA SER 9 -2.339 2.267 -13.847
211 HB2 SER 9 HB2 SER 9 -1.404 2.081 -16.134
212 HB3 SER 9 HB3 SER 9 -2.090 3.677 -15.808
213 HG SER 9 HG SER 9 -0.097 3.938 -16.823
214 H HIS 10 H HIS 10 1.179 2.901 -13.533
215 HA HIS 10 HA HIS 10 1.953 0.128 -13.945
216 HB2 HIS 10 HB2 HIS 10 3.404 2.548 -12.785
217 HB3 HIS 10 HB3 HIS 10 4.134 0.977 -13.046
218 HD1 HIS 10 HD1 HIS 10 1.895 2.809 -15.680
219 HD2 HIS 10 HD2 HIS 10 5.841 1.520 -14.935
220 HE1 HIS 10 HE1 HIS 10 3.202 3.219 -17.817
221 H LEU 11 H LEU 11 1.310 2.165 -11.084
222 HA LEU 11 HA LEU 11 1.911 0.125 -9.132
223 HB2 LEU 11 HB2 LEU 11 1.818 2.529 -8.571
224 HB3 LEU 11 HB3 LEU 11 0.119 2.593 -9.020
225 HG LEU 11 HG LEU 11 -0.470 1.068 -7.177
226 HD11 LEU 11 HD11 LEU 11 1.593 -0.260 -6.949
227 HD12 LEU 11 HD12 LEU 11 1.187 0.530 -5.420
228 HD13 LEU 11 HD13 LEU 11 2.486 1.187 -6.446
229 HD21 LEU 11 HD21 LEU 11 -0.464 3.490 -6.839
230 HD22 LEU 11 HD22 LEU 11 1.229 3.436 -6.317
231 HD23 LEU 11 HD23 LEU 11 -0.026 2.631 -5.349
232 H VAL 12 H VAL 12 -1.124 1.137 -10.723
233 HA VAL 12 HA VAL 12 -2.833 -0.716 -9.383
234 HB VAL 12 HB VAL 12 -3.064 0.634 -12.089
235 HG11 VAL 12 HG11 VAL 12 -5.176 -1.022 -10.639
236 HG12 VAL 12 HG12 VAL 12 -5.496 0.061 -12.013
237 HG13 VAL 12 HG13 VAL 12 -4.473 -1.356 -12.242
238 HG21 VAL 12 HG21 VAL 12 -4.705 2.057 -10.889
239 HG22 VAL 12 HG22 VAL 12 -4.464 1.101 -9.415
240 HG23 VAL 12 HG23 VAL 12 -3.156 2.099 -10.045
241 H GLU 13 H GLU 13 -1.029 -1.120 -12.502
242 HA GLU 13 HA GLU 13 -1.816 -3.863 -12.878
243 HB2 GLU 13 HB2 GLU 13 0.561 -2.245 -13.872
244 HB3 GLU 13 HB3 GLU 13 0.311 -3.946 -14.280
245 HG2 GLU 13 HG2 GLU 13 -1.936 -3.404 -15.205
246 HG3 GLU 13 HG3 GLU 13 -1.654 -1.693 -14.890
247 H ALA 14 H ALA 14 1.066 -2.470 -11.126
248 HA ALA 14 HA ALA 14 2.195 -4.994 -10.440
249 HB1 ALA 14 HB1 ALA 14 2.252 -2.367 -8.890
250 HB2 ALA 14 HB2 ALA 14 3.378 -3.725 -8.699
251 HB3 ALA 14 HB3 ALA 14 3.354 -2.815 -10.215
252 H LEU 15 H LEU 15 -0.316 -3.064 -8.729
253 HA LEU 15 HA LEU 15 -0.675 -4.891 -6.532
254 HB2 LEU 15 HB2 LEU 15 -2.482 -2.854 -7.877
255 HB3 LEU 15 HB3 LEU 15 -3.011 -3.787 -6.478
256 HG LEU 15 HG LEU 15 -0.496 -2.069 -6.412
257 HD11 LEU 15 HD11 LEU 15 -1.846 -0.338 -5.291
258 HD12 LEU 15 HD12 LEU 15 -3.314 -1.301 -5.571
259 HD13 LEU 15 HD13 LEU 15 -2.421 -0.626 -6.946
260 HD21 LEU 15 HD21 LEU 15 -2.292 -3.172 -4.197
261 HD22 LEU 15 HD22 LEU 15 -0.842 -2.167 -3.965
262 HD23 LEU 15 HD23 LEU 15 -0.690 -3.801 -4.622
263 H TYR 16 H TYR 16 -2.310 -4.796 -9.766
264 HA TYR 16 HA TYR 16 -3.989 -7.058 -9.304
265 HB2 TYR 16 HB2 TYR 16 -2.677 -6.146 -11.895
266 HB3 TYR 16 HB3 TYR 16 -3.956 -7.328 -11.769
267 HD1 TYR 16 HD1 TYR 16 -5.064 -5.005 -9.407
268 HD2 TYR 16 HD2 TYR 16 -4.399 -5.414 -13.655
269 HE1 TYR 16 HE1 TYR 16 -6.773 -3.274 -9.844
270 HE2 TYR 16 HE2 TYR 16 -6.140 -3.699 -14.093
271 HH TYR 16 HH TYR 16 -7.711 -2.287 -13.165
272 H LEU 17 H LEU 17 -0.623 -6.942 -10.567
273 HA LEU 17 HA LEU 17 -0.325 -9.800 -10.860
274 HB2 LEU 17 HB2 LEU 17 1.502 -7.394 -10.837
275 HB3 LEU 17 HB3 LEU 17 2.216 -8.961 -10.542
276 HG LEU 17 HG LEU 17 1.371 -9.866 -12.628
277 HD11 LEU 17 HD11 LEU 17 0.318 -7.092 -13.301
278 HD12 LEU 17 HD12 LEU 17 -0.691 -8.520 -12.977
279 HD13 LEU 17 HD13 LEU 17 0.373 -8.487 -14.388
280 HD21 LEU 17 HD21 LEU 17 2.849 -7.215 -12.971
281 HD22 LEU 17 HD22 LEU 17 2.831 -8.554 -14.144
282 HD23 LEU 17 HD23 LEU 17 3.587 -8.776 -12.554
283 H VAL 18 H VAL 18 0.610 -7.638 -8.141
284 HA VAL 18 HA VAL 18 1.753 -9.774 -6.603
285 HB VAL 18 HB VAL 18 0.833 -6.991 -5.837
286 HG11 VAL 18 HG11 VAL 18 2.193 -9.028 -4.015
287 HG12 VAL 18 HG12 VAL 18 2.054 -7.293 -3.679
288 HG13 VAL 18 HG13 VAL 18 0.597 -8.272 -3.763
289 HG21 VAL 18 HG21 VAL 18 2.898 -7.199 -7.243
290 HG22 VAL 18 HG22 VAL 18 3.282 -6.628 -5.614
291 HG23 VAL 18 HG23 VAL 18 3.585 -8.314 -6.055
292 H CYS 19 HN CYS 19 -1.526 -8.232 -6.377
293 HA CYS 19 HA CYS 19 -2.340 -9.886 -4.159
294 HB2 CYS 19 HB2 CYS 19 -4.051 -8.338 -6.124
295 HB3 CYS 19 HB3 CYS 19 -4.544 -8.977 -4.556
296 H GLY 20 H GLY 20 -2.797 -10.188 -7.686
297 HA2 GLY 20 HA2 GLY 20 -3.351 -12.005 -8.997
298 HA3 GLY 20 HA3 GLY 20 -2.942 -13.034 -7.615
299 H GLU 21 H GLU 21 -4.556 -14.461 -7.615
300 HA GLU 21 HA GLU 21 -7.265 -13.957 -8.290
301 HB2 GLU 21 HB2 GLU 21 -7.698 -16.216 -7.590
302 HB3 GLU 21 HB3 GLU 21 -6.181 -16.143 -8.480
303 HG2 GLU 21 HG2 GLU 21 -4.921 -16.201 -6.309
304 HG3 GLU 21 HG3 GLU 21 -6.455 -16.317 -5.443
305 H ARG 22 H ARG 22 -5.684 -13.250 -5.297
306 HA ARG 22 HA ARG 22 -7.926 -13.486 -3.496
307 HB2 ARG 22 HB2 ARG 22 -5.464 -11.699 -3.407
308 HB3 ARG 22 HB3 ARG 22 -6.605 -11.907 -2.082
309 HG2 ARG 22 HG2 ARG 22 -6.089 -14.274 -1.882
310 HG3 ARG 22 HG3 ARG 22 -5.019 -14.224 -3.288
311 HD2 ARG 22 HD2 ARG 22 -4.577 -12.552 -0.787
312 HD3 ARG 22 HD3 ARG 22 -3.859 -14.155 -1.050
313 HE ARG 22 HE ARG 22 -3.225 -12.685 -3.335
314 HH11 ARG 22 HH11 ARG 22 -2.520 -12.220 0.117
315 HH12 ARG 22 HH12 ARG 22 -0.976 -11.459 -0.233
316 HH21 ARG 22 HH21 ARG 22 -1.130 -11.866 -3.648
317 HH22 ARG 22 HH22 ARG 22 -0.209 -11.329 -2.264
318 H GLY 23 H GLY 23 -6.868 -10.951 -5.714
319 HA2 GLY 23 HA2 GLY 23 -8.178 -9.157 -6.551
320 HA3 GLY 23 HA3 GLY 23 -9.270 -9.272 -5.165
321 H PHE 24 H PHE 24 -8.136 -6.936 -6.209
322 HA PHE 24 HA PHE 24 -6.133 -5.963 -4.255
323 HB2 PHE 24 HB2 PHE 24 -6.002 -4.017 -5.731
324 HB3 PHE 24 HB3 PHE 24 -5.686 -5.507 -6.600
325 HD1 PHE 24 HD2 PHE 24 -7.291 -6.374 -8.277
326 HD2 PHE 24 HD1 PHE 24 -8.038 -2.676 -6.183
327 HE1 PHE 24 HE2 PHE 24 -9.097 -5.806 -9.895
328 HE2 PHE 24 HE1 PHE 24 -9.809 -2.102 -7.819
329 HZ PHE 24 HZ PHE 24 -10.351 -3.673 -9.669
330 H PHE 25 H PHE 25 -6.519 -4.060 -3.014
331 HA PHE 25 HA PHE 25 -9.341 -3.223 -2.618
332 HB2 PHE 25 HB2 PHE 25 -8.696 -5.270 -1.235
333 HB3 PHE 25 HB3 PHE 25 -7.558 -4.246 -0.379
334 HD1 PHE 25 HD2 PHE 25 -11.187 -4.269 -1.440
335 HD2 PHE 25 HD1 PHE 25 -8.340 -3.306 1.653
336 HE1 PHE 25 HE2 PHE 25 -13.049 -3.614 0.071
337 HE2 PHE 25 HE1 PHE 25 -10.205 -2.646 3.153
338 HZ PHE 25 HZ PHE 25 -12.559 -2.800 2.368
339 H TYR 26 H TYR 26 -6.749 -1.891 -3.618
340 HA TYR 26 HA TYR 26 -5.979 0.025 -1.647
341 HB2 TYR 26 HB2 TYR 26 -4.703 1.035 -3.309
342 HB3 TYR 26 HB3 TYR 26 -4.656 -0.675 -3.667
343 HD1 TYR 26 HD1 TYR 26 -5.816 2.654 -4.768
344 HD2 TYR 26 HD2 TYR 26 -5.816 -1.559 -5.699
345 HE1 TYR 26 HE1 TYR 26 -6.678 3.161 -7.030
346 HE2 TYR 26 HE2 TYR 26 -6.664 -1.048 -7.986
347 HH TYR 26 HH TYR 26 -7.389 2.303 -9.056
348 H THR 27 H THR 27 -6.510 2.140 -1.336
349 HA THR 27 HA THR 27 -8.763 3.410 -2.793
350 HB THR 27 HB THR 27 -9.703 4.217 -0.642
351 HG1 THR 27 HG1 THR 27 -9.001 3.103 1.250
352 HG21 THR 27 HG21 THR 27 -9.585 1.171 -0.708
353 HG22 THR 27 HG22 THR 27 -10.640 2.157 -1.734
354 HG23 THR 27 HG23 THR 27 -10.840 2.187 0.025
355 HA PRO 28 HA PRO 28 -6.058 6.775 -0.479
356 HB2 PRO 28 HB2 PRO 28 -3.428 5.674 -1.488
357 HB3 PRO 28 HB3 PRO 28 -3.736 6.744 -0.084
358 HG2 PRO 28 HG2 PRO 28 -3.422 4.095 0.338
359 HG3 PRO 28 HG3 PRO 28 -4.785 4.942 1.139
360 HD2 PRO 28 HD2 PRO 28 -4.815 3.297 -1.404
361 HD3 PRO 28 HD3 PRO 28 -5.921 3.235 0.002
362 H LYS 29 H LYS 29 -5.570 8.666 -1.496
363 HA LYS 29 HA LYS 29 -5.842 10.227 -3.082
364 HB2 LYS 29 HB2 LYS 29 -3.420 9.418 -3.012
365 HB3 LYS 29 HB3 LYS 29 -3.716 8.665 -4.578
366 HG2 LYS 29 HG2 LYS 29 -4.049 10.791 -5.641
367 HG3 LYS 29 HG3 LYS 29 -4.306 11.610 -4.088
368 HD2 LYS 29 HD2 LYS 29 -1.961 11.261 -3.479
369 HD3 LYS 29 HD3 LYS 29 -1.659 10.443 -5.032
370 HE2 LYS 29 HE2 LYS 29 -2.266 12.513 -6.239
371 HE3 LYS 29 HE3 LYS 29 -2.719 13.293 -4.721
372 HZ1 LYS 29 HZ1 LYS 29 -0.519 13.986 -5.360
373 HZ2 LYS 29 HZ2 LYS 29 0.024 12.446 -5.452
374 HZ3 LYS 29 HZ3 LYS 29 -0.390 13.087 -3.994
375 H THR 30 H THR 30 -7.249 7.414 -3.877
376 HA THR 30 HA THR 30 -8.151 8.287 -6.613
377 HB THR 30 HB THR 30 -8.412 5.813 -7.052
378 HG1 THR 30 HG1 THR 30 -6.582 5.565 -4.894
379 HG21 THR 30 HG21 THR 30 -6.537 7.103 -8.010
380 HG22 THR 30 HG22 THR 30 -6.037 5.454 -7.588
381 HG23 THR 30 HG23 THR 30 -5.572 6.811 -6.543
382 H LYS 31 H LYS 31 -9.126 6.089 -3.968
383 HA LYS 31 HA LYS 31 -11.999 6.783 -4.485
384 HB2 LYS 31 HB2 LYS 31 -10.733 4.461 -2.974
385 HB3 LYS 31 HB3 LYS 31 -12.461 4.717 -3.227
386 HG2 LYS 31 HG2 LYS 31 -12.130 4.537 -5.693
387 HG3 LYS 31 HG3 LYS 31 -10.405 4.279 -5.444
388 HD2 LYS 31 HD2 LYS 31 -11.453 2.148 -5.854
389 HD3 LYS 31 HD3 LYS 31 -10.820 2.213 -4.218
390 HE2 LYS 31 HE2 LYS 31 -12.945 1.104 -4.151
391 HE3 LYS 31 HE3 LYS 31 -13.124 2.655 -3.339
392 HZ1 LYS 31 HZ1 LYS 31 -14.154 3.519 -5.379
393 HZ2 LYS 31 HZ2 LYS 31 -14.965 2.196 -4.868
394 HZ3 LYS 31 HZ3 LYS 31 -13.949 2.082 -6.138
395 H ARG 32 H ARG 32 -9.503 7.054 -2.059
396 HA ARG 32 HA ARG 32 -11.150 7.653 0.218
397 HB2 ARG 32 HB2 ARG 32 -8.282 7.617 -0.450
398 HB3 ARG 32 HB3 ARG 32 -8.657 8.965 0.590
399 HG2 ARG 32 HG2 ARG 32 -9.706 6.200 1.284
400 HG3 ARG 32 HG3 ARG 32 -8.031 6.619 1.621
401 HD2 ARG 32 HD2 ARG 32 -9.654 6.940 3.542
402 HD3 ARG 32 HD3 ARG 32 -8.587 8.303 3.170
403 HE ARG 32 HE ARG 32 -10.712 9.032 1.727
404 HH11 ARG 32 HH11 ARG 32 -10.757 8.012 5.088
405 HH12 ARG 32 HH12 ARG 32 -12.152 9.016 5.414
406 HH21 ARG 32 HH21 ARG 32 -12.316 10.163 2.140
407 HH22 ARG 32 HH22 ARG 32 -13.053 10.252 3.744
Start of MODEL 40
1 H1 GLY 1 1H GLY 1 -1.095 5.860 3.621
2 H2 GLY 1 2H GLY 1 -0.864 4.335 4.185
3 H3 GLY 1 3H GLY 1 -2.310 5.084 4.392
4 HA2 GLY 1 HA2 GLY 1 -2.557 3.490 2.641
5 HA3 GLY 1 HA3 GLY 1 -2.666 5.138 1.986
6 H ILE 2 H ILE 2 -1.996 2.875 0.398
7 HA ILE 2 HA ILE 2 0.900 2.672 0.228
8 HB ILE 2 HB ILE 2 -0.578 0.772 -0.075
9 HG12 ILE 2 HG12 ILE 2 0.460 -0.301 -2.008
10 HG13 ILE 2 HG13 ILE 2 1.098 1.253 -2.546
11 HG21 ILE 2 HG21 ILE 2 -1.443 1.935 -2.738
12 HG22 ILE 2 HG22 ILE 2 -1.832 0.330 -2.109
13 HG23 ILE 2 HG23 ILE 2 -2.444 1.752 -1.278
14 HD11 ILE 2 HD11 ILE 2 1.728 -0.025 0.156
15 HD12 ILE 2 HD12 ILE 2 2.734 -0.204 -1.295
16 HD13 ILE 2 HD13 ILE 2 2.531 1.396 -0.566
17 H VAL 3 H VAL 3 -1.464 4.229 -1.979
18 HA VAL 3 HA VAL 3 0.480 4.833 -3.948
19 HB VAL 3 HB VAL 3 -1.984 4.903 -4.292
20 HG11 VAL 3 HG11 VAL 3 -1.884 7.747 -3.205
21 HG12 VAL 3 HG12 VAL 3 -3.275 6.909 -3.913
22 HG13 VAL 3 HG13 VAL 3 -2.609 6.364 -2.362
23 HG21 VAL 3 HG21 VAL 3 -1.938 6.589 -6.040
24 HG22 VAL 3 HG22 VAL 3 -0.528 7.382 -5.307
25 HG23 VAL 3 HG23 VAL 3 -0.380 5.754 -5.996
26 H GLU 4 H GLU 4 -0.402 6.702 -1.072
27 HA GLU 4 HA GLU 4 1.262 8.984 -1.700
28 HB2 GLU 4 HB2 GLU 4 0.841 9.657 0.617
29 HB3 GLU 4 HB3 GLU 4 -0.631 9.218 -0.256
30 HG2 GLU 4 HG2 GLU 4 -0.660 7.016 0.855
31 HG3 GLU 4 HG3 GLU 4 0.825 7.431 1.725
32 H GLN 5 H GLN 5 2.234 5.852 -0.992
33 HA GLN 5 HA GLN 5 4.898 6.809 0.001
34 HB2 GLN 5 HB2 GLN 5 3.964 5.065 1.426
35 HB3 GLN 5 HB3 GLN 5 3.594 4.049 0.036
36 HG2 GLN 5 HG2 GLN 5 5.585 3.226 1.164
37 HG3 GLN 5 HG3 GLN 5 5.973 3.756 -0.462
38 HE21 GLN 5 HE21 GLN 5 8.227 4.109 -0.079
39 HE22 GLN 5 HE22 GLN 5 8.753 5.384 1.013
40 H CYS 6 HN CYS 6 3.428 4.417 -2.322
41 HA CYS 6 HA CYS 6 5.878 4.027 -3.685
42 HB2 CYS 6 HB2 CYS 6 3.078 3.545 -4.752
43 HB3 CYS 6 HB3 CYS 6 4.569 2.809 -5.309
44 H CYS 7 HN CYS 7 3.411 6.488 -4.310
45 HA CYS 7 HA CYS 7 4.266 6.953 -7.072
46 HB2 CYS 7 HB2 CYS 7 1.946 7.295 -6.087
47 HB3 CYS 7 HB3 CYS 7 2.560 8.748 -5.319
48 H THR 8 H THR 8 4.849 8.583 -3.960
49 HA THR 8 HA THR 8 6.546 10.686 -5.183
50 HB THR 8 HB THR 8 6.548 11.537 -2.801
51 HG1 THR 8 HG1 THR 8 4.980 10.545 -1.435
52 HG21 THR 8 HG21 THR 8 4.918 12.377 -4.485
53 HG22 THR 8 HG22 THR 8 4.243 12.355 -2.849
54 HG23 THR 8 HG23 THR 8 3.779 11.096 -4.015
55 H SER 9 H SER 9 6.852 7.820 -3.129
56 HA SER 9 HA SER 9 9.831 8.053 -3.256
57 HB2 SER 9 HB2 SER 9 8.871 8.657 -1.022
58 HB3 SER 9 HB3 SER 9 8.222 7.014 -0.899
59 HG SER 9 HG SER 9 10.382 7.457 0.082
60 H ILE 10 H ILE 10 10.404 5.624 -2.136
61 HA ILE 10 HA ILE 10 9.835 3.847 -4.457
62 HB ILE 10 HB ILE 10 11.832 3.756 -2.173
63 HG12 ILE 10 HG12 ILE 10 12.304 5.538 -3.833
64 HG13 ILE 10 HG13 ILE 10 13.539 4.306 -3.776
65 HG21 ILE 10 HG21 ILE 10 11.525 1.814 -4.481
66 HG22 ILE 10 HG22 ILE 10 12.989 1.968 -3.491
67 HG23 ILE 10 HG23 ILE 10 11.477 1.463 -2.741
68 HD11 ILE 10 HD11 ILE 10 12.730 3.309 -5.875
69 HD12 ILE 10 HD12 ILE 10 11.390 4.480 -5.927
70 HD13 ILE 10 HD13 ILE 10 13.061 5.026 -6.080
71 H CYS 11 HN CYS 11 8.997 1.790 -4.356
72 HA CYS 11 HA CYS 11 8.042 0.804 -1.710
73 HB2 CYS 11 HB2 CYS 11 6.552 1.013 -4.310
74 HB3 CYS 11 HB3 CYS 11 6.228 -0.362 -3.265
75 H SER 12 H SER 12 7.754 -1.336 -1.479
76 HA SER 12 HA SER 12 9.189 -3.274 -3.272
77 HB2 SER 12 HB2 SER 12 10.566 -2.647 -1.239
78 HB3 SER 12 HB3 SER 12 9.255 -3.302 -0.231
79 HG SER 12 HG SER 12 10.954 -4.836 -0.677
80 H LEU 13 H LEU 13 8.423 -5.497 -2.998
81 HA LEU 13 HA LEU 13 5.630 -5.550 -3.376
82 HB2 LEU 13 HB2 LEU 13 7.457 -7.899 -2.771
83 HB3 LEU 13 HB3 LEU 13 5.886 -7.963 -3.568
84 HG LEU 13 HG LEU 13 8.514 -6.927 -4.643
85 HD11 LEU 13 HD11 LEU 13 8.064 -8.575 -6.420
86 HD12 LEU 13 HD12 LEU 13 6.492 -8.954 -5.682
87 HD13 LEU 13 HD13 LEU 13 7.995 -9.345 -4.823
88 HD21 LEU 13 HD21 LEU 13 6.946 -5.209 -5.371
89 HD22 LEU 13 HD22 LEU 13 5.753 -6.431 -5.835
90 HD23 LEU 13 HD23 LEU 13 7.264 -6.276 -6.741
91 H TYR 14 H TYR 14 7.363 -6.083 -0.364
92 HA TYR 14 HA TYR 14 5.282 -7.369 1.130
93 HB2 TYR 14 HB2 TYR 14 7.594 -7.163 1.906
94 HB3 TYR 14 HB3 TYR 14 7.453 -5.413 1.965
95 HD1 TYR 14 HD1 TYR 14 6.117 -8.578 3.459
96 HD2 TYR 14 HD2 TYR 14 6.594 -4.312 3.902
97 HE1 TYR 14 HE1 TYR 14 5.256 -8.721 5.795
98 HE2 TYR 14 HE2 TYR 14 5.738 -4.454 6.231
99 HH TYR 14 HH TYR 14 4.934 -5.825 7.890
100 H GLN 15 H GLN 15 5.721 -4.001 0.168
101 HA GLN 15 HA GLN 15 3.615 -2.941 1.938
102 HB2 GLN 15 HB2 GLN 15 5.205 -1.687 -0.345
103 HB3 GLN 15 HB3 GLN 15 4.129 -0.813 0.731
104 HG2 GLN 15 HG2 GLN 15 5.515 -1.234 2.657
105 HG3 GLN 15 HG3 GLN 15 6.535 -2.374 1.778
106 HE21 GLN 15 HE21 GLN 15 6.345 0.905 2.743
107 HE22 GLN 15 HE22 GLN 15 7.572 1.482 1.626
108 H LEU 16 H LEU 16 3.926 -3.975 -1.464
109 HA LEU 16 HA LEU 16 1.269 -3.193 -2.311
110 HB2 LEU 16 HB2 LEU 16 3.240 -5.340 -3.223
111 HB3 LEU 16 HB3 LEU 16 1.661 -5.192 -3.935
112 HG LEU 16 HG LEU 16 3.500 -4.201 -5.253
113 HD11 LEU 16 HD11 LEU 16 2.288 -2.235 -5.963
114 HD12 LEU 16 HD12 LEU 16 1.333 -2.228 -4.458
115 HD13 LEU 16 HD13 LEU 16 1.175 -3.564 -5.621
116 HD21 LEU 16 HD21 LEU 16 4.433 -2.030 -4.744
117 HD22 LEU 16 HD22 LEU 16 4.840 -3.172 -3.459
118 HD23 LEU 16 HD23 LEU 16 3.560 -1.952 -3.203
119 H GLU 17 H GLU 17 2.542 -6.308 -0.995
120 HA GLU 17 HA GLU 17 0.052 -7.645 -0.834
121 HB2 GLU 17 HB2 GLU 17 2.593 -7.943 0.814
122 HB3 GLU 17 HB3 GLU 17 1.194 -9.008 0.985
123 HG2 GLU 17 HG2 GLU 17 1.344 -9.565 -1.452
124 HG3 GLU 17 HG3 GLU 17 2.845 -8.641 -1.542
125 H ASN 18 H ASN 18 1.474 -5.337 1.505
126 HA ASN 18 HA ASN 18 -0.127 -5.951 3.731
127 HB2 ASN 18 HB2 ASN 18 1.934 -4.570 3.698
128 HB3 ASN 18 HB3 ASN 18 1.030 -3.271 2.915
129 HD21 ASN 18 HD21 ASN 18 1.026 -5.339 5.891
130 HD22 ASN 18 HD22 ASN 18 0.359 -4.083 6.918
131 H TYR 19 H TYR 19 -1.054 -4.198 0.853
132 HA TYR 19 HA TYR 19 -3.635 -3.315 2.083
133 HB2 TYR 19 HB2 TYR 19 -1.964 -2.296 -0.231
134 HB3 TYR 19 HB3 TYR 19 -3.653 -1.860 -0.055
135 HD1 TYR 19 HD1 TYR 19 -4.477 -0.582 1.888
136 HD2 TYR 19 HD2 TYR 19 -0.283 -1.421 1.393
137 HE1 TYR 19 HE1 TYR 19 -3.943 1.130 3.603
138 HE2 TYR 19 HE2 TYR 19 0.267 0.306 3.104
139 HH TYR 19 HH TYR 19 -2.289 2.098 4.877
140 H CYS 20 HN CYS 20 -2.619 -5.973 0.500
141 HA CYS 20 HA CYS 20 -4.929 -6.265 -1.306
142 HB2 CYS 20 HB2 CYS 20 -2.619 -8.072 -0.593
143 HB3 CYS 20 HB3 CYS 20 -3.935 -8.549 -1.672
144 H ASN 21 H ASN 21 -6.229 -8.269 -1.201
145 HA ASN 21 HA ASN 21 -6.859 -9.399 1.429
146 HB2 ASN 21 HB2 ASN 21 -7.935 -7.168 1.528
147 HB3 ASN 21 HB3 ASN 21 -8.813 -7.503 0.037
148 HD21 ASN 21 HD22 ASN 21 -10.097 -9.669 0.189
149 HD22 ASN 21 HD21 ASN 21 -11.073 -9.837 1.664
150 H1 PHE 1 H1 PHE 1 17.378 -8.194 -6.110
151 H2 PHE 1 H2 PHE 1 17.189 -6.592 -5.811
152 H3 PHE 1 H3 PHE 1 16.978 -7.172 -7.326
153 HA PHE 1 HA PHE 1 15.045 -8.414 -6.666
154 HB2 PHE 1 HB2 PHE 1 15.767 -8.825 -4.330
155 HB3 PHE 1 HB3 PHE 1 15.491 -7.126 -3.937
156 HD1 PHE 1 HD1 PHE 1 13.776 -10.241 -5.166
157 HD2 PHE 1 HD2 PHE 1 13.312 -6.392 -3.262
158 HE1 PHE 1 HE1 PHE 1 11.391 -10.756 -4.690
159 HE2 PHE 1 HE2 PHE 1 10.931 -6.911 -2.810
160 HZ PHE 1 HZ PHE 1 9.973 -9.095 -3.509
161 H VAL 2 H VAL 2 12.890 -7.392 -6.742
162 HA VAL 2 HA VAL 2 13.068 -4.847 -8.072
163 HB VAL 2 HB VAL 2 11.503 -6.533 -8.799
164 HG11 VAL 2 HG11 VAL 2 10.717 -7.422 -6.612
165 HG12 VAL 2 HG12 VAL 2 9.808 -5.913 -6.350
166 HG13 VAL 2 HG13 VAL 2 9.399 -6.981 -7.704
167 HG21 VAL 2 HG21 VAL 2 11.139 -4.157 -9.385
168 HG22 VAL 2 HG22 VAL 2 9.618 -5.061 -9.292
169 HG23 VAL 2 HG23 VAL 2 10.074 -3.974 -7.973
170 H ASN 3 H ASN 3 12.745 -2.873 -7.445
171 HA ASN 3 HA ASN 3 11.534 -1.973 -4.941
172 HB2 ASN 3 HB2 ASN 3 13.600 -2.979 -4.107
173 HB3 ASN 3 HB3 ASN 3 14.560 -2.131 -5.311
174 HD21 ASN 3 HD21 ASN 3 15.300 -0.048 -4.814
175 HD22 ASN 3 HD22 ASN 3 14.894 0.759 -3.311
176 H GLN 4 H GLN 4 10.426 -0.271 -5.956
177 HA GLN 4 HA GLN 4 11.838 1.786 -7.489
178 HB2 GLN 4 HB2 GLN 4 11.718 -0.204 -9.039
179 HB3 GLN 4 HB3 GLN 4 9.971 -0.214 -8.875
180 HG2 GLN 4 HG2 GLN 4 10.809 0.723 -11.008
181 HG3 GLN 4 HG3 GLN 4 9.806 1.859 -10.131
182 HE21 GLN 4 HE21 GLN 4 13.121 1.227 -11.267
183 HE22 GLN 4 HE22 GLN 4 13.720 2.816 -10.817
184 H HIS 5 H HIS 5 10.239 3.409 -8.424
185 HA HIS 5 HA HIS 5 7.996 4.002 -6.654
186 HB2 HIS 5 HB2 HIS 5 8.793 5.110 -9.394
187 HB3 HIS 5 HB3 HIS 5 7.596 5.808 -8.312
188 HD1 HIS 5 HD1 HIS 5 8.678 6.785 -5.901
189 HD2 HIS 5 HD2 HIS 5 11.247 5.966 -9.118
190 HE1 HIS 5 HE1 HIS 5 10.771 8.210 -5.527
191 H LEU 6 H LEU 6 5.809 3.874 -7.159
192 HA LEU 6 HA LEU 6 4.839 2.788 -9.728
193 HB2 LEU 6 HB2 LEU 6 4.320 1.461 -7.031
194 HB3 LEU 6 HB3 LEU 6 3.275 1.211 -8.415
195 HG LEU 6 HG LEU 6 6.238 0.496 -8.416
196 HD11 LEU 6 HD11 LEU 6 5.438 -1.835 -8.102
197 HD12 LEU 6 HD12 LEU 6 3.790 -1.220 -7.844
198 HD13 LEU 6 HD13 LEU 6 5.089 -0.798 -6.711
199 HD21 LEU 6 HD21 LEU 6 3.935 -0.280 -10.279
200 HD22 LEU 6 HD22 LEU 6 5.605 -0.887 -10.375
201 HD23 LEU 6 HD23 LEU 6 5.272 0.817 -10.687
202 H CYS 7 HN CYS 7 2.970 3.840 -10.323
203 HA CYS 7 HA CYS 7 1.213 4.983 -8.240
204 HB2 CYS 7 HB2 CYS 7 3.094 6.597 -8.930
205 HB3 CYS 7 HB3 CYS 7 2.270 6.750 -10.470
206 H GLY 8 H GLY 8 -0.886 5.585 -8.966
207 HA2 GLY 8 HA2 GLY 8 -2.844 5.329 -10.171
208 HA3 GLY 8 HA3 GLY 8 -1.829 5.765 -11.546
209 H SER 9 H SER 9 -2.277 4.485 -13.175
210 HA SER 9 HA SER 9 -3.450 1.922 -13.188
211 HB2 SER 9 HB2 SER 9 -2.658 1.836 -15.526
212 HB3 SER 9 HB3 SER 9 -3.396 3.394 -15.128
213 HG SER 9 HG SER 9 -1.471 3.764 -16.257
214 H HIS 10 H HIS 10 0.030 2.786 -12.986
215 HA HIS 10 HA HIS 10 0.926 0.048 -13.466
216 HB2 HIS 10 HB2 HIS 10 2.319 2.577 -12.478
217 HB3 HIS 10 HB3 HIS 10 3.116 1.032 -12.715
218 HD1 HIS 10 HD1 HIS 10 0.654 2.790 -15.209
219 HD2 HIS 10 HD2 HIS 10 4.599 1.358 -14.791
220 HE1 HIS 10 HE1 HIS 10 1.756 3.059 -17.477
221 H LEU 11 H LEU 11 0.290 2.044 -10.566
222 HA LEU 11 HA LEU 11 1.205 0.036 -8.679
223 HB2 LEU 11 HB2 LEU 11 1.017 2.442 -8.129
224 HB3 LEU 11 HB3 LEU 11 -0.730 2.380 -8.368
225 HG LEU 11 HG LEU 11 -0.937 0.834 -6.433
226 HD11 LEU 11 HD11 LEU 11 0.980 0.484 -4.914
227 HD12 LEU 11 HD12 LEU 11 2.057 1.301 -6.074
228 HD13 LEU 11 HD13 LEU 11 1.295 -0.245 -6.492
229 HD21 LEU 11 HD21 LEU 11 -0.378 2.513 -4.700
230 HD22 LEU 11 HD22 LEU 11 -1.156 3.248 -6.114
231 HD23 LEU 11 HD23 LEU 11 0.601 3.404 -5.880
232 H VAL 12 H VAL 12 -1.984 0.867 -10.031
233 HA VAL 12 HA VAL 12 -3.518 -1.141 -8.693
234 HB VAL 12 HB VAL 12 -3.903 0.261 -11.359
235 HG11 VAL 12 HG11 VAL 12 -5.122 -1.858 -11.588
236 HG12 VAL 12 HG12 VAL 12 -5.856 -1.629 -9.987
237 HG13 VAL 12 HG13 VAL 12 -6.264 -0.540 -11.325
238 HG21 VAL 12 HG21 VAL 12 -4.102 1.635 -9.262
239 HG22 VAL 12 HG22 VAL 12 -5.641 1.495 -10.127
240 HG23 VAL 12 HG23 VAL 12 -5.345 0.524 -8.677
241 H GLU 13 H GLU 13 -1.832 -1.300 -11.907
242 HA GLU 13 HA GLU 13 -2.426 -4.037 -12.405
243 HB2 GLU 13 HB2 GLU 13 -1.536 -2.319 -14.044
244 HB3 GLU 13 HB3 GLU 13 0.042 -2.482 -13.277
245 HG2 GLU 13 HG2 GLU 13 0.084 -3.845 -15.216
246 HG3 GLU 13 HG3 GLU 13 -0.047 -4.967 -13.873
247 H ALA 14 H ALA 14 0.412 -2.546 -10.691
248 HA ALA 14 HA ALA 14 1.797 -4.971 -10.201
249 HB1 ALA 14 HB1 ALA 14 2.798 -2.735 -9.942
250 HB2 ALA 14 HB2 ALA 14 1.731 -2.400 -8.561
251 HB3 ALA 14 HB3 ALA 14 2.959 -3.675 -8.451
252 H LEU 15 H LEU 15 -0.755 -3.355 -8.215
253 HA LEU 15 HA LEU 15 -0.712 -5.250 -6.067
254 HB2 LEU 15 HB2 LEU 15 -2.911 -3.476 -7.199
255 HB3 LEU 15 HB3 LEU 15 -3.131 -4.470 -5.760
256 HG LEU 15 HG LEU 15 -0.870 -2.452 -5.922
257 HD11 LEU 15 HD11 LEU 15 -3.648 -1.911 -4.820
258 HD12 LEU 15 HD12 LEU 15 -2.993 -1.237 -6.325
259 HD13 LEU 15 HD13 LEU 15 -2.256 -0.822 -4.769
260 HD21 LEU 15 HD21 LEU 15 -0.752 -4.163 -4.111
261 HD22 LEU 15 HD22 LEU 15 -2.360 -3.676 -3.556
262 HD23 LEU 15 HD23 LEU 15 -1.010 -2.534 -3.463
263 H TYR 16 H TYR 16 -2.518 -5.380 -9.177
264 HA TYR 16 HA TYR 16 -3.725 -7.963 -8.577
265 HB2 TYR 16 HB2 TYR 16 -3.342 -6.348 -11.114
266 HB3 TYR 16 HB3 TYR 16 -3.983 -7.980 -11.155
267 HD1 TYR 16 HD2 TYR 16 -5.955 -8.495 -9.431
268 HD2 TYR 16 HD1 TYR 16 -4.970 -4.623 -11.047
269 HE1 TYR 16 HE2 TYR 16 -8.278 -7.732 -9.001
270 HE2 TYR 16 HE1 TYR 16 -7.288 -3.845 -10.600
271 HH TYR 16 HH TYR 16 -9.776 -5.985 -9.145
272 H LEU 17 H LEU 17 -0.679 -7.060 -10.265
273 HA LEU 17 HA LEU 17 0.012 -9.756 -11.021
274 HB2 LEU 17 HB2 LEU 17 1.630 -7.218 -10.591
275 HB3 LEU 17 HB3 LEU 17 2.376 -8.721 -11.112
276 HG LEU 17 HG LEU 17 0.137 -7.359 -12.669
277 HD11 LEU 17 HD11 LEU 17 3.165 -7.222 -13.056
278 HD12 LEU 17 HD12 LEU 17 2.097 -5.886 -12.554
279 HD13 LEU 17 HD13 LEU 17 1.943 -6.574 -14.174
280 HD21 LEU 17 HD21 LEU 17 0.972 -8.798 -14.531
281 HD22 LEU 17 HD22 LEU 17 0.338 -9.753 -13.191
282 HD23 LEU 17 HD23 LEU 17 2.099 -9.582 -13.407
283 H VAL 18 H VAL 18 0.879 -7.851 -8.121
284 HA VAL 18 HA VAL 18 2.531 -9.908 -6.970
285 HB VAL 18 HB VAL 18 1.202 -7.461 -5.764
286 HG11 VAL 18 HG11 VAL 18 1.586 -9.031 -3.900
287 HG12 VAL 18 HG12 VAL 18 3.249 -9.314 -4.454
288 HG13 VAL 18 HG13 VAL 18 2.765 -7.719 -3.844
289 HG21 VAL 18 HG21 VAL 18 3.452 -6.521 -5.839
290 HG22 VAL 18 HG22 VAL 18 4.121 -8.053 -6.436
291 HG23 VAL 18 HG23 VAL 18 3.052 -7.097 -7.462
292 H CYS 19 HN CYS 19 -0.887 -8.920 -6.251
293 HA CYS 19 HA CYS 19 -1.086 -11.130 -4.313
294 HB2 CYS 19 HB2 CYS 19 -2.958 -8.850 -5.008
295 HB3 CYS 19 HB3 CYS 19 -3.110 -9.938 -3.623
296 H GLY 20 H GLY 20 -1.888 -10.841 -7.592
297 HA2 GLY 20 HA2 GLY 20 -2.815 -12.479 -8.978
298 HA3 GLY 20 HA3 GLY 20 -3.424 -13.354 -7.562
299 H GLU 21 H GLU 21 -5.312 -13.653 -8.819
300 HA GLU 21 HA GLU 21 -6.978 -11.549 -9.800
301 HB2 GLU 21 HB2 GLU 21 -8.666 -13.292 -10.054
302 HB3 GLU 21 HB3 GLU 21 -7.113 -13.781 -10.698
303 HG2 GLU 21 HG2 GLU 21 -7.829 -14.647 -7.883
304 HG3 GLU 21 HG3 GLU 21 -8.640 -15.409 -9.240
305 H ARG 22 H ARG 22 -6.479 -12.521 -6.567
306 HA ARG 22 HA ARG 22 -8.936 -11.919 -5.278
307 HB2 ARG 22 HB2 ARG 22 -6.069 -11.371 -4.380
308 HB3 ARG 22 HB3 ARG 22 -7.494 -11.330 -3.336
309 HG2 ARG 22 HG2 ARG 22 -7.923 -13.739 -3.847
310 HG3 ARG 22 HG3 ARG 22 -6.419 -13.796 -4.778
311 HD2 ARG 22 HD2 ARG 22 -6.667 -13.082 -1.827
312 HD3 ARG 22 HD3 ARG 22 -6.147 -14.638 -2.461
313 HE ARG 22 HE ARG 22 -4.276 -13.286 -3.621
314 HH11 ARG 22 HH11 ARG 22 -5.564 -12.009 -0.553
315 HH12 ARG 22 HH12 ARG 22 -3.964 -11.641 0.025
316 HH21 ARG 22 HH21 ARG 22 -2.306 -12.750 -2.812
317 HH22 ARG 22 HH22 ARG 22 -2.156 -11.954 -1.269
318 H GLY 23 H GLY 23 -6.373 -9.776 -6.510
319 HA2 GLY 23 HA2 GLY 23 -6.269 -7.457 -6.789
320 HA3 GLY 23 HA3 GLY 23 -8.003 -7.375 -6.415
321 H PHE 24 H PHE 24 -7.729 -5.551 -5.177
322 HA PHE 24 HA PHE 24 -6.496 -5.855 -2.510
323 HB2 PHE 24 HB2 PHE 24 -5.338 -3.695 -2.851
324 HB3 PHE 24 HB3 PHE 24 -4.847 -4.912 -4.032
325 HD1 PHE 24 HD1 PHE 24 -5.420 -4.734 -6.407
326 HD2 PHE 24 HD2 PHE 24 -6.681 -1.722 -3.585
327 HE1 PHE 24 HE1 PHE 24 -5.964 -3.208 -8.275
328 HE2 PHE 24 HE2 PHE 24 -7.227 -0.204 -5.463
329 HZ PHE 24 HZ PHE 24 -6.900 -0.944 -7.813
330 H PHE 25 H PHE 25 -7.066 -4.296 -0.941
331 HA PHE 25 HA PHE 25 -9.954 -3.683 -1.047
332 HB2 PHE 25 HB2 PHE 25 -8.891 -4.981 0.793
333 HB3 PHE 25 HB3 PHE 25 -7.900 -3.593 1.206
334 HD1 PHE 25 HD2 PHE 25 -11.448 -4.783 0.936
335 HD2 PHE 25 HD1 PHE 25 -8.757 -1.910 2.700
336 HE1 PHE 25 HE2 PHE 25 -13.260 -4.012 2.454
337 HE2 PHE 25 HE1 PHE 25 -10.567 -1.133 4.204
338 HZ PHE 25 HZ PHE 25 -12.822 -2.186 4.088
339 H TYR 26 H TYR 26 -6.906 -1.944 -1.096
340 HA TYR 26 HA TYR 26 -7.703 0.491 0.078
341 HB2 TYR 26 HB2 TYR 26 -5.390 -0.355 -0.253
342 HB3 TYR 26 HB3 TYR 26 -5.529 -0.049 -1.981
343 HD1 TYR 26 HD1 TYR 26 -5.753 1.634 1.368
344 HD2 TYR 26 HD2 TYR 26 -4.900 2.085 -2.832
345 HE1 TYR 26 HE1 TYR 26 -4.955 3.946 1.788
346 HE2 TYR 26 HE2 TYR 26 -4.042 4.376 -2.412
347 HH TYR 26 HH TYR 26 -3.742 6.064 -0.830
348 H THR 27 H THR 27 -8.206 2.516 -0.682
349 HA THR 27 HA THR 27 -9.106 2.848 -3.520
350 HB THR 27 HB THR 27 -10.543 4.700 -2.606
351 HG1 THR 27 HG1 THR 27 -9.449 4.722 -0.544
352 HG21 THR 27 HG21 THR 27 -12.334 3.190 -1.882
353 HG22 THR 27 HG22 THR 27 -11.171 1.875 -1.644
354 HG23 THR 27 HG23 THR 27 -11.477 2.510 -3.280
355 HA PRO 28 HA PRO 28 -5.469 5.574 -3.416
356 HB2 PRO 28 HB2 PRO 28 -6.581 6.297 -6.126
357 HB3 PRO 28 HB3 PRO 28 -4.882 5.994 -5.647
358 HG2 PRO 28 HG2 PRO 28 -6.295 4.077 -6.924
359 HG3 PRO 28 HG3 PRO 28 -5.272 3.632 -5.514
360 HD2 PRO 28 HD2 PRO 28 -8.266 4.084 -5.585
361 HD3 PRO 28 HD3 PRO 28 -7.332 2.780 -4.787
362 H LYS 29 H LYS 29 -5.239 7.628 -2.667
363 HA LYS 29 HA LYS 29 -7.529 9.191 -2.039
364 HB2 LYS 29 HB2 LYS 29 -5.996 10.702 -1.017
365 HB3 LYS 29 HB3 LYS 29 -5.430 9.057 -0.727
366 HG2 LYS 29 HG2 LYS 29 -3.836 9.395 -2.722
367 HG3 LYS 29 HG3 LYS 29 -4.291 11.100 -2.696
368 HD2 LYS 29 HD2 LYS 29 -2.992 9.524 -0.433
369 HD3 LYS 29 HD3 LYS 29 -2.191 10.705 -1.485
370 HE2 LYS 29 HE2 LYS 29 -3.711 12.488 -0.601
371 HE3 LYS 29 HE3 LYS 29 -4.444 11.303 0.489
372 HZ1 LYS 29 HZ1 LYS 29 -1.608 12.155 0.526
373 HZ2 LYS 29 HZ2 LYS 29 -2.221 10.982 1.491
374 HZ3 LYS 29 HZ3 LYS 29 -2.740 12.530 1.644
375 H THR 30 H THR 30 -5.772 9.111 -4.943
376 HA THR 30 HA THR 30 -6.548 11.743 -6.002
377 HB THR 30 HB THR 30 -5.618 10.712 -8.127
378 HG1 THR 30 HG1 THR 30 -4.497 8.748 -7.842
379 HG21 THR 30 HG21 THR 30 -3.271 10.807 -7.401
380 HG22 THR 30 HG22 THR 30 -3.754 10.622 -5.707
381 HG23 THR 30 HG23 THR 30 -4.203 12.089 -6.607
382 H LYS 31 H LYS 31 -7.701 8.407 -6.107
383 HA LYS 31 HA LYS 31 -9.723 8.984 -8.168
384 HB2 LYS 31 HB2 LYS 31 -8.336 6.901 -8.126
385 HB3 LYS 31 HB3 LYS 31 -9.061 6.457 -6.583
386 HG2 LYS 31 HG2 LYS 31 -10.059 5.205 -8.418
387 HG3 LYS 31 HG3 LYS 31 -11.256 6.199 -7.601
388 HD2 LYS 31 HD2 LYS 31 -11.605 6.200 -10.017
389 HD3 LYS 31 HD3 LYS 31 -11.228 7.828 -9.454
390 HE2 LYS 31 HE2 LYS 31 -8.862 7.534 -10.193
391 HE3 LYS 31 HE3 LYS 31 -9.240 5.887 -10.730
392 HZ1 LYS 31 HZ1 LYS 31 -10.452 8.364 -11.838
393 HZ2 LYS 31 HZ2 LYS 31 -10.815 6.844 -12.321
394 HZ3 LYS 31 HZ3 LYS 31 -9.320 7.449 -12.578
395 H ARG 32 H ARG 32 -9.653 8.306 -4.685
396 HA ARG 32 HA ARG 32 -12.451 7.958 -4.237
397 HB2 ARG 32 HB2 ARG 32 -10.587 7.236 -2.736
398 HB3 ARG 32 HB3 ARG 32 -10.302 8.927 -2.300
399 HG2 ARG 32 HG2 ARG 32 -12.612 9.062 -1.373
400 HG3 ARG 32 HG3 ARG 32 -12.893 7.375 -1.840
401 HD2 ARG 32 HD2 ARG 32 -11.019 6.665 -0.377
402 HD3 ARG 32 HD3 ARG 32 -10.758 8.335 0.120
403 HE ARG 32 HE ARG 32 -12.914 6.515 0.946
404 HH11 ARG 32 HH21 ARG 32 -11.883 9.866 0.989
405 HH12 ARG 32 HH22 ARG 32 -12.959 10.274 2.296
406 HH21 ARG 32 HH11 ARG 32 -14.247 7.101 2.610
407 HH22 ARG 32 HH12 ARG 32 -14.264 8.744 3.181
Start of MODEL 41
1 H1 GLY 1 1H GLY 1 -4.914 5.855 2.843
2 H2 GLY 1 2H GLY 1 -3.536 6.570 2.311
3 H3 GLY 1 3H GLY 1 -3.453 5.171 3.160
4 HA2 GLY 1 HA2 GLY 1 -4.589 3.962 1.397
5 HA3 GLY 1 HA3 GLY 1 -4.656 5.479 0.480
6 H ILE 2 H ILE 2 -3.355 2.898 -0.165
7 HA ILE 2 HA ILE 2 -0.624 2.764 0.386
8 HB ILE 2 HB ILE 2 -1.981 0.943 -0.483
9 HG12 ILE 2 HG12 ILE 2 0.476 1.496 -2.198
10 HG13 ILE 2 HG13 ILE 2 0.479 0.862 -0.552
11 HG21 ILE 2 HG21 ILE 2 -1.848 2.228 -3.237
12 HG22 ILE 2 HG22 ILE 2 -2.601 0.680 -2.806
13 HG23 ILE 2 HG23 ILE 2 -3.279 2.190 -2.211
14 HD11 ILE 2 HD11 ILE 2 -0.827 -1.124 -1.374
15 HD12 ILE 2 HD12 ILE 2 -0.630 -0.494 -3.030
16 HD13 ILE 2 HD13 ILE 2 0.792 -0.947 -2.076
17 H VAL 3 H VAL 3 -2.054 4.671 -2.194
18 HA VAL 3 HA VAL 3 0.346 5.197 -3.635
19 HB VAL 3 HB VAL 3 -2.030 5.649 -4.372
20 HG11 VAL 3 HG11 VAL 3 -1.661 8.332 -2.960
21 HG12 VAL 3 HG12 VAL 3 -2.980 7.863 -4.033
22 HG13 VAL 3 HG13 VAL 3 -2.793 7.045 -2.470
23 HG21 VAL 3 HG21 VAL 3 -0.046 6.292 -5.688
24 HG22 VAL 3 HG22 VAL 3 -1.415 7.394 -5.923
25 HG23 VAL 3 HG23 VAL 3 -0.043 7.889 -4.898
26 H GLU 4 H GLU 4 -0.778 6.540 -0.584
27 HA GLU 4 HA GLU 4 0.966 8.857 -0.599
28 HB2 GLU 4 HB2 GLU 4 -0.416 7.441 1.725
29 HB3 GLU 4 HB3 GLU 4 0.325 9.036 1.789
30 HG2 GLU 4 HG2 GLU 4 -1.301 9.910 0.166
31 HG3 GLU 4 HG3 GLU 4 -2.069 8.321 0.035
32 H GLN 5 H GLN 5 1.660 5.562 -0.342
33 HA GLN 5 HA GLN 5 4.284 6.167 0.999
34 HB2 GLN 5 HB2 GLN 5 2.819 4.509 2.173
35 HB3 GLN 5 HB3 GLN 5 2.835 3.490 0.733
36 HG2 GLN 5 HG2 GLN 5 5.286 3.219 0.928
37 HG3 GLN 5 HG3 GLN 5 5.320 4.357 2.280
38 HE21 GLN 5 HE21 GLN 5 3.941 3.662 4.291
39 HE22 GLN 5 HE22 GLN 5 3.926 1.940 4.622
40 H CYS 6 HN CYS 6 2.782 4.062 -1.538
41 HA CYS 6 HA CYS 6 5.264 3.405 -2.789
42 HB2 CYS 6 HB2 CYS 6 2.348 3.204 -3.519
43 HB3 CYS 6 HB3 CYS 6 3.576 2.783 -4.703
44 H CYS 7 HN CYS 7 3.237 6.266 -3.378
45 HA CYS 7 HA CYS 7 4.596 6.735 -5.982
46 HB2 CYS 7 HB2 CYS 7 2.169 7.075 -5.688
47 HB3 CYS 7 HB3 CYS 7 2.496 8.411 -4.581
48 H THR 8 H THR 8 4.344 8.382 -2.813
49 HA THR 8 HA THR 8 6.224 10.468 -3.492
50 HB THR 8 HB THR 8 4.352 10.618 -1.821
51 HG1 THR 8 HG1 THR 8 5.577 12.016 -0.545
52 HG21 THR 8 HG21 THR 8 4.728 9.953 0.469
53 HG22 THR 8 HG22 THR 8 6.337 9.301 0.091
54 HG23 THR 8 HG23 THR 8 4.877 8.506 -0.536
55 H SER 9 H SER 9 6.647 7.271 -2.060
56 HA SER 9 HA SER 9 9.601 7.671 -2.159
57 HB2 SER 9 HB2 SER 9 8.669 7.798 0.192
58 HB3 SER 9 HB3 SER 9 8.175 6.110 0.008
59 HG SER 9 HG SER 9 10.284 6.428 1.002
60 H ILE 10 H ILE 10 10.400 5.200 -1.588
61 HA ILE 10 HA ILE 10 9.577 3.613 -3.986
62 HB ILE 10 HB ILE 10 11.921 3.469 -2.060
63 HG12 ILE 10 HG12 ILE 10 11.691 4.028 -5.052
64 HG13 ILE 10 HG13 ILE 10 11.994 5.230 -3.796
65 HG21 ILE 10 HG21 ILE 10 11.266 1.570 -4.326
66 HG22 ILE 10 HG22 ILE 10 12.792 1.568 -3.418
67 HG23 ILE 10 HG23 ILE 10 11.298 1.137 -2.607
68 HD11 ILE 10 HD11 ILE 10 13.902 3.046 -4.699
69 HD12 ILE 10 HD12 ILE 10 14.066 4.793 -4.882
70 HD13 ILE 10 HD13 ILE 10 14.160 4.079 -3.262
71 H CYS 11 HN CYS 11 8.555 1.661 -3.903
72 HA CYS 11 HA CYS 11 8.317 0.310 -1.297
73 HB2 CYS 11 HB2 CYS 11 6.001 -0.026 -1.389
74 HB3 CYS 11 HB3 CYS 11 6.256 1.689 -1.669
75 H SER 12 H SER 12 7.883 -1.880 -1.362
76 HA SER 12 HA SER 12 8.531 -3.331 -3.924
77 HB2 SER 12 HB2 SER 12 10.339 -3.236 -2.146
78 HB3 SER 12 HB3 SER 12 9.269 -4.207 -1.121
79 HG SER 12 HG SER 12 10.738 -5.504 -2.371
80 H LEU 13 H LEU 13 7.982 -5.706 -3.656
81 HA LEU 13 HA LEU 13 5.193 -5.852 -3.995
82 HB2 LEU 13 HB2 LEU 13 7.128 -8.113 -3.402
83 HB3 LEU 13 HB3 LEU 13 5.557 -8.261 -4.203
84 HG LEU 13 HG LEU 13 8.060 -6.904 -5.279
85 HD11 LEU 13 HD11 LEU 13 8.013 -8.726 -6.948
86 HD12 LEU 13 HD12 LEU 13 6.572 -9.407 -6.175
87 HD13 LEU 13 HD13 LEU 13 8.121 -9.365 -5.298
88 HD21 LEU 13 HD21 LEU 13 6.135 -5.653 -6.117
89 HD22 LEU 13 HD22 LEU 13 5.325 -7.167 -6.588
90 HD23 LEU 13 HD23 LEU 13 6.804 -6.637 -7.420
91 H TYR 14 H TYR 14 7.063 -6.610 -1.075
92 HA TYR 14 HA TYR 14 4.990 -7.855 0.446
93 HB2 TYR 14 HB2 TYR 14 7.380 -7.890 1.048
94 HB3 TYR 14 HB3 TYR 14 7.367 -6.149 1.298
95 HD1 TYR 14 HD2 TYR 14 5.919 -9.374 2.548
96 HD2 TYR 14 HD1 TYR 14 6.722 -5.222 3.411
97 HE1 TYR 14 HE2 TYR 14 5.254 -9.740 4.917
98 HE2 TYR 14 HE1 TYR 14 6.055 -5.583 5.774
99 HH TYR 14 HH TYR 14 5.303 -7.092 7.346
100 H GLN 15 H GLN 15 5.637 -4.443 -0.221
101 HA GLN 15 HA GLN 15 3.705 -3.424 1.779
102 HB2 GLN 15 HB2 GLN 15 5.291 -2.067 -0.438
103 HB3 GLN 15 HB3 GLN 15 4.267 -1.227 0.723
104 HG2 GLN 15 HG2 GLN 15 5.694 -1.704 2.551
105 HG3 GLN 15 HG3 GLN 15 6.524 -3.009 1.709
106 HE21 GLN 15 HE21 GLN 15 6.223 0.564 1.829
107 HE22 GLN 15 HE22 GLN 15 7.769 0.835 1.018
108 H LEU 16 H LEU 16 3.785 -4.218 -1.691
109 HA LEU 16 HA LEU 16 1.157 -3.149 -2.295
110 HB2 LEU 16 HB2 LEU 16 2.637 -5.454 -3.626
111 HB3 LEU 16 HB3 LEU 16 1.283 -4.555 -4.285
112 HG LEU 16 HG LEU 16 4.111 -3.523 -3.799
113 HD11 LEU 16 HD11 LEU 16 2.533 -3.997 -6.359
114 HD12 LEU 16 HD12 LEU 16 3.849 -5.005 -5.734
115 HD13 LEU 16 HD13 LEU 16 4.190 -3.348 -6.250
116 HD21 LEU 16 HD21 LEU 16 1.728 -2.007 -4.923
117 HD22 LEU 16 HD22 LEU 16 3.408 -1.442 -4.933
118 HD23 LEU 16 HD23 LEU 16 2.570 -1.660 -3.395
119 H GLU 17 H GLU 17 2.298 -6.435 -1.431
120 HA GLU 17 HA GLU 17 -0.283 -7.622 -1.275
121 HB2 GLU 17 HB2 GLU 17 2.364 -8.347 0.032
122 HB3 GLU 17 HB3 GLU 17 0.913 -9.342 0.172
123 HG2 GLU 17 HG2 GLU 17 0.793 -9.512 -2.316
124 HG3 GLU 17 HG3 GLU 17 2.331 -8.657 -2.428
125 H ASN 18 H ASN 18 1.433 -5.654 1.132
126 HA ASN 18 HA ASN 18 0.089 -6.445 3.470
127 HB2 ASN 18 HB2 ASN 18 2.095 -5.081 3.484
128 HB3 ASN 18 HB3 ASN 18 1.256 -3.777 2.645
129 HD21 ASN 18 HD21 ASN 18 0.120 -2.251 3.864
130 HD22 ASN 18 HD22 ASN 18 -0.067 -2.375 5.603
131 H TYR 19 H TYR 19 -0.997 -4.155 0.954
132 HA TYR 19 HA TYR 19 -3.354 -3.277 2.500
133 HB2 TYR 19 HB2 TYR 19 -2.162 -2.677 -0.208
134 HB3 TYR 19 HB3 TYR 19 -3.842 -2.279 0.111
135 HD1 TYR 19 HD1 TYR 19 -0.348 -1.607 1.246
136 HD2 TYR 19 HD2 TYR 19 -4.499 -0.474 1.524
137 HE1 TYR 19 HE1 TYR 19 0.311 0.500 2.400
138 HE2 TYR 19 HE2 TYR 19 -3.852 1.632 2.663
139 HH TYR 19 HH TYR 19 -0.439 2.467 3.374
140 H CYS 20 HN CYS 20 -2.656 -5.842 0.226
141 HA CYS 20 HA CYS 20 -5.348 -6.244 -0.766
142 HB2 CYS 20 HB2 CYS 20 -2.897 -8.030 -0.738
143 HB3 CYS 20 HB3 CYS 20 -4.352 -8.291 -1.707
144 H ASN 21 H ASN 21 -6.730 -7.968 -0.361
145 HA ASN 21 HA ASN 21 -6.807 -9.851 1.681
146 HB2 ASN 21 HB2 ASN 21 -8.266 -8.707 3.391
147 HB3 ASN 21 HB3 ASN 21 -6.572 -8.266 3.430
148 HD21 ASN 21 HD21 ASN 21 -8.959 -6.916 1.142
149 HD22 ASN 21 HD22 ASN 21 -8.909 -5.289 1.849
150 H1 PHE 1 H1 PHE 1 15.604 -2.303 -8.945
151 H2 PHE 1 H2 PHE 1 15.960 -2.451 -10.542
152 H3 PHE 1 H3 PHE 1 16.068 -3.748 -9.543
153 HA PHE 1 HA PHE 1 13.589 -2.323 -10.231
154 HB2 PHE 1 HB2 PHE 1 14.514 -5.085 -11.109
155 HB3 PHE 1 HB3 PHE 1 12.949 -4.384 -11.451
156 HD1 PHE 1 HD1 PHE 1 12.877 -2.126 -12.756
157 HD2 PHE 1 HD2 PHE 1 16.315 -4.742 -12.660
158 HE1 PHE 1 HE1 PHE 1 13.763 -1.047 -14.815
159 HE2 PHE 1 HE2 PHE 1 17.193 -3.662 -14.710
160 HZ PHE 1 HZ PHE 1 15.918 -1.808 -15.786
161 H VAL 2 H VAL 2 11.632 -3.624 -9.621
162 HA VAL 2 HA VAL 2 10.328 -4.958 -8.361
163 HB VAL 2 HB VAL 2 12.643 -5.812 -6.572
164 HG11 VAL 2 HG11 VAL 2 9.814 -6.886 -6.919
165 HG12 VAL 2 HG12 VAL 2 11.086 -7.616 -5.920
166 HG13 VAL 2 HG13 VAL 2 10.430 -6.018 -5.496
167 HG21 VAL 2 HG21 VAL 2 12.506 -7.970 -7.817
168 HG22 VAL 2 HG22 VAL 2 11.329 -7.252 -8.939
169 HG23 VAL 2 HG23 VAL 2 13.002 -6.665 -8.890
170 H ASN 3 H ASN 3 12.785 -3.405 -6.190
171 HA ASN 3 HA ASN 3 10.609 -2.042 -4.717
172 HB2 ASN 3 HB2 ASN 3 12.290 -1.236 -3.229
173 HB3 ASN 3 HB3 ASN 3 12.438 -2.971 -3.413
174 HD21 ASN 3 HD21 ASN 3 14.286 -0.254 -3.070
175 HD22 ASN 3 HD22 ASN 3 15.721 -0.785 -3.929
176 H GLN 4 H GLN 4 9.692 -0.384 -5.795
177 HA GLN 4 HA GLN 4 11.333 1.646 -7.247
178 HB2 GLN 4 HB2 GLN 4 9.239 -0.234 -8.446
179 HB3 GLN 4 HB3 GLN 4 9.650 1.305 -9.199
180 HG2 GLN 4 HG2 GLN 4 11.920 0.632 -9.619
181 HG3 GLN 4 HG3 GLN 4 11.747 -0.815 -8.624
182 HE21 GLN 4 HE21 GLN 4 9.931 0.577 -11.486
183 HE22 GLN 4 HE22 GLN 4 9.923 -0.974 -12.308
184 H HIS 5 H HIS 5 9.791 3.410 -8.165
185 HA HIS 5 HA HIS 5 7.718 4.114 -6.158
186 HB2 HIS 5 HB2 HIS 5 8.804 5.536 -8.633
187 HB3 HIS 5 HB3 HIS 5 7.412 6.093 -7.732
188 HD1 HIS 5 HD1 HIS 5 7.883 7.648 -5.701
189 HD2 HIS 5 HD2 HIS 5 11.239 5.572 -7.176
190 HE1 HIS 5 HE1 HIS 5 9.918 8.646 -4.536
191 H LEU 6 H LEU 6 5.538 3.920 -6.598
192 HA LEU 6 HA LEU 6 4.536 3.270 -9.325
193 HB2 LEU 6 HB2 LEU 6 4.131 1.673 -6.765
194 HB3 LEU 6 HB3 LEU 6 2.923 1.649 -8.040
195 HG LEU 6 HG LEU 6 5.805 0.817 -8.510
196 HD11 LEU 6 HD11 LEU 6 3.365 -0.863 -7.796
197 HD12 LEU 6 HD12 LEU 6 4.829 -0.639 -6.819
198 HD13 LEU 6 HD13 LEU 6 4.918 -1.516 -8.356
199 HD21 LEU 6 HD21 LEU 6 4.837 -0.312 -10.494
200 HD22 LEU 6 HD22 LEU 6 4.558 1.433 -10.571
201 HD23 LEU 6 HD23 LEU 6 3.237 0.341 -10.095
202 H CYS 7 HN CYS 7 2.651 4.339 -9.787
203 HA CYS 7 HA CYS 7 1.207 5.705 -7.567
204 HB2 CYS 7 HB2 CYS 7 3.173 7.022 -8.764
205 HB3 CYS 7 HB3 CYS 7 1.990 7.250 -10.040
206 H GLY 8 H GLY 8 -0.920 6.295 -7.995
207 HA2 GLY 8 HA2 GLY 8 -3.022 6.206 -8.940
208 HA3 GLY 8 HA3 GLY 8 -2.157 6.636 -10.417
209 H SER 9 H SER 9 -3.215 5.500 -11.963
210 HA SER 9 HA SER 9 -4.236 2.852 -11.697
211 HB2 SER 9 HB2 SER 9 -3.492 4.566 -14.061
212 HB3 SER 9 HB3 SER 9 -4.005 2.886 -14.286
213 HG SER 9 HG SER 9 -5.715 4.538 -14.311
214 H HIS 10 H HIS 10 -0.856 3.825 -12.283
215 HA HIS 10 HA HIS 10 -0.059 1.166 -13.244
216 HB2 HIS 10 HB2 HIS 10 1.174 3.358 -13.642
217 HB3 HIS 10 HB3 HIS 10 1.710 3.276 -11.961
218 HD1 HIS 10 HD1 HIS 10 2.096 -0.130 -12.455
219 HD2 HIS 10 HD2 HIS 10 3.828 3.221 -14.310
220 HE1 HIS 10 HE1 HIS 10 4.285 -0.938 -13.495
221 H LEU 11 H LEU 11 -0.253 2.743 -10.054
222 HA LEU 11 HA LEU 11 0.805 0.467 -8.578
223 HB2 LEU 11 HB2 LEU 11 0.846 2.785 -7.738
224 HB3 LEU 11 HB3 LEU 11 -0.908 2.855 -7.749
225 HG LEU 11 HG LEU 11 -1.038 1.166 -5.971
226 HD11 LEU 11 HD11 LEU 11 0.946 0.426 -4.754
227 HD12 LEU 11 HD12 LEU 11 2.011 1.269 -5.890
228 HD13 LEU 11 HD13 LEU 11 1.050 -0.129 -6.426
229 HD21 LEU 11 HD21 LEU 11 0.827 3.541 -5.488
230 HD22 LEU 11 HD22 LEU 11 0.062 2.620 -4.201
231 HD23 LEU 11 HD23 LEU 11 -0.947 3.518 -5.352
232 H VAL 12 H VAL 12 -2.485 1.597 -9.362
233 HA VAL 12 HA VAL 12 -3.893 -0.539 -8.086
234 HB VAL 12 HB VAL 12 -4.664 1.068 -10.547
235 HG11 VAL 12 HG11 VAL 12 -7.019 0.362 -10.006
236 HG12 VAL 12 HG12 VAL 12 -5.991 -0.934 -10.616
237 HG13 VAL 12 HG13 VAL 12 -6.353 -0.828 -8.872
238 HG21 VAL 12 HG21 VAL 12 -4.422 2.416 -8.449
239 HG22 VAL 12 HG22 VAL 12 -6.094 2.338 -9.003
240 HG23 VAL 12 HG23 VAL 12 -5.554 1.334 -7.646
241 H GLU 13 H GLU 13 -2.567 -0.355 -11.454
242 HA GLU 13 HA GLU 13 -3.330 -3.004 -12.194
243 HB2 GLU 13 HB2 GLU 13 -2.714 -1.175 -13.749
244 HB3 GLU 13 HB3 GLU 13 -1.031 -1.300 -13.232
245 HG2 GLU 13 HG2 GLU 13 -0.922 -3.612 -14.094
246 HG3 GLU 13 HG3 GLU 13 -2.646 -3.576 -14.481
247 H ALA 14 H ALA 14 -0.269 -1.766 -10.684
248 HA ALA 14 HA ALA 14 1.068 -4.265 -10.581
249 HB1 ALA 14 HB1 ALA 14 1.162 -1.980 -8.555
250 HB2 ALA 14 HB2 ALA 14 2.371 -3.264 -8.769
251 HB3 ALA 14 HB3 ALA 14 2.118 -2.071 -10.054
252 H LEU 15 H LEU 15 -1.365 -2.895 -8.276
253 HA LEU 15 HA LEU 15 -1.358 -5.232 -6.567
254 HB2 LEU 15 HB2 LEU 15 -3.071 -2.788 -6.897
255 HB3 LEU 15 HB3 LEU 15 -3.851 -4.204 -6.217
256 HG LEU 15 HG LEU 15 -2.086 -4.405 -4.498
257 HD11 LEU 15 HD11 LEU 15 -1.102 -1.700 -5.501
258 HD12 LEU 15 HD12 LEU 15 -0.220 -3.238 -5.679
259 HD13 LEU 15 HD13 LEU 15 -0.532 -2.587 -4.072
260 HD21 LEU 15 HD21 LEU 15 -2.825 -2.520 -3.123
261 HD22 LEU 15 HD22 LEU 15 -4.190 -3.198 -4.030
262 HD23 LEU 15 HD23 LEU 15 -3.430 -1.683 -4.570
263 H TYR 16 H TYR 16 -3.292 -4.499 -9.514
264 HA TYR 16 HA TYR 16 -4.922 -6.858 -9.381
265 HB2 TYR 16 HB2 TYR 16 -3.850 -5.413 -11.832
266 HB3 TYR 16 HB3 TYR 16 -5.100 -6.637 -11.838
267 HD1 TYR 16 HD2 TYR 16 -6.335 -5.177 -9.094
268 HD2 TYR 16 HD1 TYR 16 -5.453 -4.121 -13.179
269 HE1 TYR 16 HE2 TYR 16 -8.174 -3.531 -9.065
270 HE2 TYR 16 HE1 TYR 16 -7.297 -2.451 -13.148
271 HH TYR 16 HH TYR 16 -9.356 -1.953 -10.250
272 H LEU 17 H LEU 17 -1.666 -6.386 -10.739
273 HA LEU 17 HA LEU 17 -1.369 -9.127 -11.662
274 HB2 LEU 17 HB2 LEU 17 0.609 -6.861 -11.150
275 HB3 LEU 17 HB3 LEU 17 1.065 -8.405 -11.859
276 HG LEU 17 HG LEU 17 -1.013 -6.546 -13.095
277 HD11 LEU 17 HD11 LEU 17 1.950 -6.856 -13.755
278 HD12 LEU 17 HD12 LEU 17 1.192 -5.441 -12.999
279 HD13 LEU 17 HD13 LEU 17 0.774 -5.873 -14.664
280 HD21 LEU 17 HD21 LEU 17 -1.237 -8.884 -13.850
281 HD22 LEU 17 HD22 LEU 17 0.501 -8.949 -14.224
282 HD23 LEU 17 HD23 LEU 17 -0.577 -7.880 -15.148
283 H VAL 18 H VAL 18 -0.041 -7.398 -8.810
284 HA VAL 18 HA VAL 18 1.394 -9.729 -7.889
285 HB VAL 18 HB VAL 18 0.798 -7.058 -6.570
286 HG11 VAL 18 HG11 VAL 18 2.681 -7.579 -5.008
287 HG12 VAL 18 HG12 VAL 18 1.257 -8.580 -4.728
288 HG13 VAL 18 HG13 VAL 18 2.664 -9.254 -5.579
289 HG21 VAL 18 HG21 VAL 18 2.290 -7.086 -8.645
290 HG22 VAL 18 HG22 VAL 18 3.119 -6.552 -7.192
291 HG23 VAL 18 HG23 VAL 18 3.359 -8.204 -7.797
292 H CYS 19 HN CYS 19 -1.756 -8.319 -6.960
293 HA CYS 19 HA CYS 19 -2.089 -10.403 -4.853
294 HB2 CYS 19 HB2 CYS 19 -3.515 -7.775 -5.333
295 HB3 CYS 19 HB3 CYS 19 -3.883 -8.897 -4.044
296 H GLY 20 H GLY 20 -2.623 -10.676 -7.935
297 HA2 GLY 20 HA2 GLY 20 -5.391 -10.928 -8.409
298 HA3 GLY 20 HA3 GLY 20 -4.126 -11.862 -9.237
299 H GLU 21 H GLU 21 -3.276 -13.226 -6.737
300 HA GLU 21 HA GLU 21 -5.504 -15.151 -6.357
301 HB2 GLU 21 HB2 GLU 21 -3.194 -15.897 -6.955
302 HB3 GLU 21 HB3 GLU 21 -2.610 -15.257 -5.413
303 HG2 GLU 21 HG2 GLU 21 -4.007 -16.858 -4.182
304 HG3 GLU 21 HG3 GLU 21 -4.757 -17.403 -5.686
305 H ARG 22 H ARG 22 -3.657 -12.749 -4.467
306 HA ARG 22 HA ARG 22 -4.618 -13.522 -1.868
307 HB2 ARG 22 HB2 ARG 22 -3.707 -10.773 -2.814
308 HB3 ARG 22 HB3 ARG 22 -3.814 -11.311 -1.153
309 HG2 ARG 22 HG2 ARG 22 -1.855 -12.346 -3.246
310 HG3 ARG 22 HG3 ARG 22 -1.513 -11.233 -1.921
311 HD2 ARG 22 HD2 ARG 22 -2.224 -13.077 -0.313
312 HD3 ARG 22 HD3 ARG 22 -2.264 -14.172 -1.711
313 HE ARG 22 HE ARG 22 0.223 -12.651 -1.487
314 HH11 ARG 22 HH11 ARG 22 -1.282 -15.628 -0.252
315 HH12 ARG 22 HH12 ARG 22 0.272 -16.310 0.137
316 HH21 ARG 22 HH21 ARG 22 2.043 -13.499 -0.975
317 HH22 ARG 22 HH22 ARG 22 2.193 -15.108 -0.264
318 H GLY 23 H GLY 23 -5.971 -11.555 -4.410
319 HA2 GLY 23 HA2 GLY 23 -8.117 -10.580 -4.617
320 HA3 GLY 23 HA3 GLY 23 -8.409 -10.784 -2.868
321 H PHE 24 H PHE 24 -7.453 -8.607 -5.305
322 HA PHE 24 HA PHE 24 -5.722 -6.917 -3.723
323 HB2 PHE 24 HB2 PHE 24 -6.070 -5.307 -5.651
324 HB3 PHE 24 HB3 PHE 24 -5.293 -6.832 -5.992
325 HD1 PHE 24 HD1 PHE 24 -8.569 -5.041 -6.296
326 HD2 PHE 24 HD2 PHE 24 -6.127 -8.345 -7.608
327 HE1 PHE 24 HE1 PHE 24 -10.175 -5.504 -8.124
328 HE2 PHE 24 HE2 PHE 24 -7.734 -8.806 -9.446
329 HZ PHE 24 HZ PHE 24 -9.768 -7.389 -9.703
330 H PHE 25 H PHE 25 -6.046 -4.814 -3.044
331 HA PHE 25 HA PHE 25 -8.726 -3.654 -2.837
332 HB2 PHE 25 HB2 PHE 25 -8.679 -5.208 -0.929
333 HB3 PHE 25 HB3 PHE 25 -7.188 -4.494 -0.356
334 HD1 PHE 25 HD1 PHE 25 -10.785 -3.744 -1.101
335 HD2 PHE 25 HD2 PHE 25 -7.253 -2.573 1.093
336 HE1 PHE 25 HE1 PHE 25 -12.122 -2.080 0.173
337 HE2 PHE 25 HE2 PHE 25 -8.596 -0.924 2.363
338 HZ PHE 25 HZ PHE 25 -11.032 -0.665 1.905
339 H TYR 26 H TYR 26 -7.700 -2.214 -4.250
340 HA TYR 26 HA TYR 26 -5.296 -0.756 -3.492
341 HB2 TYR 26 HB2 TYR 26 -5.643 0.337 -5.659
342 HB3 TYR 26 HB3 TYR 26 -5.572 -1.407 -5.777
343 HD1 TYR 26 HD2 TYR 26 -7.602 -2.756 -6.280
344 HD2 TYR 26 HD1 TYR 26 -7.681 1.554 -6.308
345 HE1 TYR 26 HE2 TYR 26 -9.779 -2.801 -7.475
346 HE2 TYR 26 HE1 TYR 26 -9.830 1.512 -7.548
347 HH TYR 26 HH TYR 26 -11.462 -1.566 -8.432
348 H THR 27 H THR 27 -5.073 1.331 -2.884
349 HA THR 27 HA THR 27 -7.495 2.995 -2.333
350 HB THR 27 HB THR 27 -6.463 3.599 -0.132
351 HG1 THR 27 HG1 THR 27 -5.129 1.123 -0.278
352 HG21 THR 27 HG21 THR 27 -7.306 1.654 1.057
353 HG22 THR 27 HG22 THR 27 -7.283 0.680 -0.425
354 HG23 THR 27 HG23 THR 27 -8.393 2.058 -0.281
355 HA PRO 28 HA PRO 28 -4.409 5.879 -4.162
356 HB2 PRO 28 HB2 PRO 28 -5.768 6.625 -6.399
357 HB3 PRO 28 HB3 PRO 28 -4.702 5.181 -6.368
358 HG2 PRO 28 HG2 PRO 28 -7.715 5.270 -6.056
359 HG3 PRO 28 HG3 PRO 28 -6.737 4.182 -7.091
360 HD2 PRO 28 HD2 PRO 28 -7.657 3.454 -4.610
361 HD3 PRO 28 HD3 PRO 28 -6.094 2.868 -5.266
362 H LYS 29 H LYS 29 -4.649 8.014 -3.574
363 HA LYS 29 HA LYS 29 -6.864 8.577 -1.848
364 HB2 LYS 29 HB2 LYS 29 -4.457 9.184 -1.515
365 HB3 LYS 29 HB3 LYS 29 -4.611 10.418 -2.767
366 HG2 LYS 29 HG2 LYS 29 -6.337 11.585 -1.399
367 HG3 LYS 29 HG3 LYS 29 -6.252 10.284 -0.193
368 HD2 LYS 29 HD2 LYS 29 -3.793 10.802 0.080
369 HD3 LYS 29 HD3 LYS 29 -4.012 12.215 -0.961
370 HE2 LYS 29 HE2 LYS 29 -5.570 13.213 0.628
371 HE3 LYS 29 HE3 LYS 29 -5.629 11.719 1.580
372 HZ1 LYS 29 HZ1 LYS 29 -4.146 13.308 2.610
373 HZ2 LYS 29 HZ2 LYS 29 -3.216 13.414 1.263
374 HZ3 LYS 29 HZ3 LYS 29 -3.288 12.007 2.104
375 H THR 30 H THR 30 -5.905 9.988 -4.953
376 HA THR 30 HA THR 30 -8.609 11.078 -5.485
377 HB THR 30 HB THR 30 -6.159 12.903 -5.458
378 HG1 THR 30 HG1 THR 30 -7.223 13.885 -3.715
379 HG21 THR 30 HG21 THR 30 -9.125 13.471 -5.941
380 HG22 THR 30 HG22 THR 30 -7.825 13.559 -7.158
381 HG23 THR 30 HG23 THR 30 -7.849 14.697 -5.809
382 H LYS 31 H LYS 31 -5.229 11.346 -6.675
383 HA LYS 31 HA LYS 31 -6.103 11.264 -9.444
384 HB2 LYS 31 HB2 LYS 31 -4.292 12.733 -8.605
385 HB3 LYS 31 HB3 LYS 31 -3.348 11.325 -8.134
386 HG2 LYS 31 HG2 LYS 31 -2.470 12.276 -10.167
387 HG3 LYS 31 HG3 LYS 31 -3.106 10.666 -10.505
388 HD2 LYS 31 HD2 LYS 31 -5.125 11.656 -11.549
389 HD3 LYS 31 HD3 LYS 31 -4.611 13.270 -11.042
390 HE2 LYS 31 HE2 LYS 31 -4.161 12.948 -13.407
391 HE3 LYS 31 HE3 LYS 31 -2.648 13.156 -12.518
392 HZ1 LYS 31 HZ1 LYS 31 -2.654 11.327 -14.194
393 HZ2 LYS 31 HZ2 LYS 31 -3.738 10.489 -13.285
394 HZ3 LYS 31 HZ3 LYS 31 -2.248 10.811 -12.698
395 H ARG 32 H ARG 32 -5.861 9.724 -10.948
396 HA ARG 32 HA ARG 32 -4.419 7.191 -10.387
397 HB2 ARG 32 HB2 ARG 32 -7.217 7.515 -11.499
398 HB3 ARG 32 HB3 ARG 32 -6.171 6.203 -12.051
399 HG2 ARG 32 HG2 ARG 32 -5.832 5.519 -9.625
400 HG3 ARG 32 HG3 ARG 32 -7.055 6.721 -9.182
401 HD2 ARG 32 HD2 ARG 32 -8.043 4.498 -9.305
402 HD3 ARG 32 HD3 ARG 32 -8.718 5.522 -10.590
403 HE ARG 32 HE ARG 32 -6.633 4.291 -11.866
404 HH11 ARG 32 HH21 ARG 32 -9.351 2.922 -10.120
405 HH12 ARG 32 HH22 ARG 32 -9.299 1.453 -11.059
406 HH21 ARG 32 HH11 ARG 32 -6.682 2.515 -13.032
407 HH22 ARG 32 HH12 ARG 32 -7.820 1.230 -12.697
Start of MODEL 42
1 H1 GLY 1 1H GLY 1 -3.761 5.654 3.013
2 H2 GLY 1 2H GLY 1 -2.527 6.580 2.438
3 H3 GLY 1 3H GLY 1 -2.223 5.404 3.543
4 HA2 GLY 1 HA2 GLY 1 -2.891 3.695 1.953
5 HA3 GLY 1 HA3 GLY 1 -3.127 5.003 0.776
6 H ILE 2 H ILE 2 -1.524 3.549 -0.403
7 HA ILE 2 HA ILE 2 1.282 4.050 0.496
8 HB ILE 2 HB ILE 2 0.295 1.700 0.115
9 HG12 ILE 2 HG12 ILE 2 3.004 2.612 -0.889
10 HG13 ILE 2 HG13 ILE 2 2.561 2.113 0.732
11 HG21 ILE 2 HG21 ILE 2 -0.633 2.182 -2.159
12 HG22 ILE 2 HG22 ILE 2 1.035 2.267 -2.767
13 HG23 ILE 2 HG23 ILE 2 0.397 0.754 -2.081
14 HD11 ILE 2 HD11 ILE 2 2.719 0.341 -1.733
15 HD12 ILE 2 HD12 ILE 2 3.812 0.369 -0.352
16 HD13 ILE 2 HD13 ILE 2 2.138 -0.207 -0.137
17 H VAL 3 H VAL 3 -0.826 5.167 -2.083
18 HA VAL 3 HA VAL 3 1.294 5.546 -4.010
19 HB VAL 3 HB VAL 3 -1.189 5.687 -4.521
20 HG11 VAL 3 HG11 VAL 3 -1.916 7.398 -2.885
21 HG12 VAL 3 HG12 VAL 3 -0.887 8.606 -3.676
22 HG13 VAL 3 HG13 VAL 3 -2.238 7.886 -4.551
23 HG21 VAL 3 HG21 VAL 3 0.657 6.237 -6.122
24 HG22 VAL 3 HG22 VAL 3 -0.823 7.154 -6.427
25 HG23 VAL 3 HG23 VAL 3 0.538 7.940 -5.625
26 H GLU 4 H GLU 4 0.207 7.351 -1.218
27 HA GLU 4 HA GLU 4 1.700 9.741 -1.540
28 HB2 GLU 4 HB2 GLU 4 0.995 8.411 1.113
29 HB3 GLU 4 HB3 GLU 4 1.240 10.118 0.787
30 HG2 GLU 4 HG2 GLU 4 -1.003 10.180 0.818
31 HG3 GLU 4 HG3 GLU 4 -0.851 9.736 -0.879
32 H GLN 5 H GLN 5 2.911 6.596 -1.031
33 HA GLN 5 HA GLN 5 5.582 7.670 -0.199
34 HB2 GLN 5 HB2 GLN 5 4.588 5.936 1.356
35 HB3 GLN 5 HB3 GLN 5 4.535 4.810 -0.010
36 HG2 GLN 5 HG2 GLN 5 7.073 5.217 -0.250
37 HG3 GLN 5 HG3 GLN 5 7.000 6.031 1.314
38 HE21 GLN 5 HE21 GLN 5 8.275 3.398 0.305
39 HE22 GLN 5 HE22 GLN 5 7.597 2.143 1.344
40 H CYS 6 HN CYS 6 3.951 5.185 -2.287
41 HA CYS 6 HA CYS 6 6.231 4.483 -3.782
42 HB2 CYS 6 HB2 CYS 6 3.284 4.469 -4.553
43 HB3 CYS 6 HB3 CYS 6 4.558 3.677 -5.454
44 H CYS 7 HN CYS 7 4.040 7.236 -4.354
45 HA CYS 7 HA CYS 7 5.111 7.623 -7.084
46 HB2 CYS 7 HB2 CYS 7 2.695 7.767 -6.368
47 HB3 CYS 7 HB3 CYS 7 3.074 9.295 -5.580
48 H THR 8 H THR 8 5.734 8.902 -3.920
49 HA THR 8 HA THR 8 7.251 11.270 -4.934
50 HB THR 8 HB THR 8 7.248 11.889 -2.493
51 HG1 THR 8 HG1 THR 8 5.681 10.698 -1.228
52 HG21 THR 8 HG21 THR 8 4.475 11.451 -3.689
53 HG22 THR 8 HG22 THR 8 5.563 12.804 -4.078
54 HG23 THR 8 HG23 THR 8 4.922 12.623 -2.433
55 H SER 9 H SER 9 7.631 8.195 -3.291
56 HA SER 9 HA SER 9 10.597 8.397 -3.389
57 HB2 SER 9 HB2 SER 9 9.707 9.131 -1.144
58 HB3 SER 9 HB3 SER 9 9.027 7.512 -0.943
59 HG SER 9 HG SER 9 11.176 7.825 -0.007
60 H ILE 10 H ILE 10 11.033 5.956 -2.112
61 HA ILE 10 HA ILE 10 10.167 4.005 -4.209
62 HB ILE 10 HB ILE 10 12.277 3.975 -2.045
63 HG12 ILE 10 HG12 ILE 10 12.864 5.351 -4.005
64 HG13 ILE 10 HG13 ILE 10 13.938 3.982 -3.774
65 HG21 ILE 10 HG21 ILE 10 11.552 1.686 -2.171
66 HG22 ILE 10 HG22 ILE 10 11.594 1.702 -3.942
67 HG23 ILE 10 HG23 ILE 10 13.097 1.831 -2.994
68 HD11 ILE 10 HD11 ILE 10 11.698 4.115 -5.839
69 HD12 ILE 10 HD12 ILE 10 13.427 4.351 -6.144
70 HD13 ILE 10 HD13 ILE 10 12.839 2.763 -5.628
71 H CYS 11 HN CYS 11 9.031 2.176 -3.800
72 HA CYS 11 HA CYS 11 8.414 1.359 -1.028
73 HB2 CYS 11 HB2 CYS 11 6.073 1.206 -1.354
74 HB3 CYS 11 HB3 CYS 11 6.533 2.821 -1.866
75 H SER 12 H SER 12 7.082 -0.935 -1.310
76 HA SER 12 HA SER 12 8.283 -2.533 -3.492
77 HB2 SER 12 HB2 SER 12 10.073 -2.189 -1.716
78 HB3 SER 12 HB3 SER 12 9.059 -3.170 -0.637
79 HG SER 12 HG SER 12 10.623 -4.439 -1.779
80 H LEU 13 H LEU 13 7.901 -4.881 -3.195
81 HA LEU 13 HA LEU 13 5.094 -5.239 -3.399
82 HB2 LEU 13 HB2 LEU 13 7.217 -7.388 -3.092
83 HB3 LEU 13 HB3 LEU 13 5.637 -7.552 -3.858
84 HG LEU 13 HG LEU 13 8.078 -6.050 -4.883
85 HD11 LEU 13 HD11 LEU 13 6.496 -8.410 -5.991
86 HD12 LEU 13 HD12 LEU 13 8.071 -8.500 -5.171
87 HD13 LEU 13 HD13 LEU 13 7.931 -7.672 -6.726
88 HD21 LEU 13 HD21 LEU 13 6.769 -5.520 -6.923
89 HD22 LEU 13 HD22 LEU 13 6.157 -4.671 -5.506
90 HD23 LEU 13 HD23 LEU 13 5.295 -6.105 -6.131
91 H TYR 14 H TYR 14 7.298 -5.980 -0.727
92 HA TYR 14 HA TYR 14 5.533 -7.499 0.917
93 HB2 TYR 14 HB2 TYR 14 7.966 -7.337 1.223
94 HB3 TYR 14 HB3 TYR 14 7.834 -5.625 1.603
95 HD1 TYR 14 HD2 TYR 14 6.743 -9.027 2.765
96 HD2 TYR 14 HD1 TYR 14 7.512 -4.927 3.856
97 HE1 TYR 14 HE2 TYR 14 6.443 -9.613 5.164
98 HE2 TYR 14 HE1 TYR 14 7.219 -5.508 6.255
99 HH TYR 14 HH TYR 14 6.454 -8.847 7.334
100 H GLN 15 H GLN 15 5.655 -4.044 0.294
101 HA GLN 15 HA GLN 15 3.794 -3.371 2.514
102 HB2 GLN 15 HB2 GLN 15 4.885 -1.673 0.228
103 HB3 GLN 15 HB3 GLN 15 3.917 -1.107 1.578
104 HG2 GLN 15 HG2 GLN 15 5.762 -1.869 3.141
105 HG3 GLN 15 HG3 GLN 15 6.751 -2.214 1.716
106 HE21 GLN 15 HE22 GLN 15 5.035 0.412 3.482
107 HE22 GLN 15 HE21 GLN 15 5.891 1.726 2.695
108 H LEU 16 H LEU 16 3.751 -3.780 -1.056
109 HA LEU 16 HA LEU 16 1.026 -2.993 -1.464
110 HB2 LEU 16 HB2 LEU 16 2.819 -4.943 -2.970
111 HB3 LEU 16 HB3 LEU 16 1.260 -4.402 -3.548
112 HG LEU 16 HG LEU 16 3.712 -2.643 -3.081
113 HD11 LEU 16 HD11 LEU 16 3.910 -4.120 -5.037
114 HD12 LEU 16 HD12 LEU 16 3.738 -2.433 -5.535
115 HD13 LEU 16 HD13 LEU 16 2.352 -3.546 -5.650
116 HD21 LEU 16 HD21 LEU 16 1.577 -1.363 -2.726
117 HD22 LEU 16 HD22 LEU 16 1.053 -1.850 -4.345
118 HD23 LEU 16 HD23 LEU 16 2.495 -0.835 -4.141
119 H GLU 17 H GLU 17 2.384 -6.150 -0.561
120 HA GLU 17 HA GLU 17 0.053 -7.717 -0.586
121 HB2 GLU 17 HB2 GLU 17 2.404 -7.698 1.339
122 HB3 GLU 17 HB3 GLU 17 1.088 -8.869 1.462
123 HG2 GLU 17 HG2 GLU 17 1.521 -9.601 -0.878
124 HG3 GLU 17 HG3 GLU 17 2.924 -8.529 -0.930
125 H ASN 18 H ASN 18 0.853 -5.147 1.774
126 HA ASN 18 HA ASN 18 -1.094 -5.946 3.740
127 HB2 ASN 18 HB2 ASN 18 0.920 -4.533 4.168
128 HB3 ASN 18 HB3 ASN 18 0.154 -3.226 3.257
129 HD21 ASN 18 HD21 ASN 18 -0.414 -5.408 6.093
130 HD22 ASN 18 HD22 ASN 18 -1.301 -4.196 7.001
131 H TYR 19 H TYR 19 -1.420 -4.347 0.689
132 HA TYR 19 HA TYR 19 -4.112 -3.244 1.329
133 HB2 TYR 19 HB2 TYR 19 -2.206 -2.802 -0.993
134 HB3 TYR 19 HB3 TYR 19 -3.825 -2.128 -0.905
135 HD1 TYR 19 HD1 TYR 19 -4.416 -0.454 0.860
136 HD2 TYR 19 HD2 TYR 19 -0.403 -1.947 0.449
137 HE1 TYR 19 HE1 TYR 19 -3.593 1.399 2.282
138 HE2 TYR 19 HE2 TYR 19 0.431 -0.130 1.920
139 HH TYR 19 HH TYR 19 -0.128 1.728 3.173
140 H CYS 20 HN CYS 20 -3.054 -6.175 0.477
141 HA CYS 20 HA CYS 20 -5.110 -6.904 -1.510
142 HB2 CYS 20 HB2 CYS 20 -2.823 -7.955 -1.261
143 HB3 CYS 20 HB3 CYS 20 -3.359 -8.632 0.272
144 H ASN 21 H ASN 21 -6.511 -8.882 -0.782
145 HA ASN 21 HA ASN 21 -7.491 -8.678 2.007
146 HB2 ASN 21 HB2 ASN 21 -9.825 -8.981 1.317
147 HB3 ASN 21 HB3 ASN 21 -9.150 -7.425 0.867
148 HD21 ASN 21 HD21 ASN 21 -8.670 -10.421 -1.010
149 HD22 ASN 21 HD22 ASN 21 -9.615 -9.847 -2.397
150 H1 PHE 1 H1 PHE 1 8.589 -3.639 -10.142
151 H2 PHE 1 H2 PHE 1 7.952 -4.223 -8.755
152 H3 PHE 1 H3 PHE 1 7.320 -4.675 -10.209
153 HA PHE 1 HA PHE 1 8.659 -6.470 -9.296
154 HB2 PHE 1 HB2 PHE 1 9.983 -5.185 -11.714
155 HB3 PHE 1 HB3 PHE 1 10.098 -6.870 -11.212
156 HD1 PHE 1 HD1 PHE 1 7.902 -8.275 -11.131
157 HD2 PHE 1 HD2 PHE 1 8.233 -4.488 -13.184
158 HE1 PHE 1 HE1 PHE 1 5.892 -8.825 -12.479
159 HE2 PHE 1 HE2 PHE 1 6.223 -5.039 -14.513
160 HZ PHE 1 HZ PHE 1 5.044 -7.213 -14.165
161 H VAL 2 H VAL 2 9.997 -6.536 -7.514
162 HA VAL 2 HA VAL 2 11.600 -6.052 -5.987
163 HB VAL 2 HB VAL 2 13.249 -4.551 -8.064
164 HG11 VAL 2 HG11 VAL 2 13.969 -6.013 -5.495
165 HG12 VAL 2 HG12 VAL 2 15.151 -5.543 -6.723
166 HG13 VAL 2 HG13 VAL 2 14.233 -4.302 -5.892
167 HG21 VAL 2 HG21 VAL 2 13.162 -7.566 -7.510
168 HG22 VAL 2 HG22 VAL 2 12.694 -6.768 -9.024
169 HG23 VAL 2 HG23 VAL 2 14.375 -6.741 -8.512
170 H ASN 3 H ASN 3 12.768 -3.885 -4.927
171 HA ASN 3 HA ASN 3 10.650 -2.022 -4.426
172 HB2 ASN 3 HB2 ASN 3 12.120 -0.869 -2.993
173 HB3 ASN 3 HB3 ASN 3 12.527 -2.566 -2.839
174 HD21 ASN 3 HD21 ASN 3 14.625 -3.306 -3.727
175 HD22 ASN 3 HD22 ASN 3 15.838 -2.124 -4.175
176 H GLN 4 H GLN 4 10.121 -0.044 -5.301
177 HA GLN 4 HA GLN 4 11.699 1.268 -7.411
178 HB2 GLN 4 HB2 GLN 4 9.200 -0.382 -8.019
179 HB3 GLN 4 HB3 GLN 4 9.771 0.896 -9.074
180 HG2 GLN 4 HG2 GLN 4 11.954 -0.362 -9.328
181 HG3 GLN 4 HG3 GLN 4 11.171 -1.723 -8.504
182 HE21 GLN 4 HE21 GLN 4 11.693 -0.336 -11.596
183 HE22 GLN 4 HE22 GLN 4 10.401 -1.188 -12.419
184 H HIS 5 H HIS 5 10.266 2.966 -8.490
185 HA HIS 5 HA HIS 5 8.412 4.311 -6.580
186 HB2 HIS 5 HB2 HIS 5 9.428 5.110 -9.357
187 HB3 HIS 5 HB3 HIS 5 8.374 6.076 -8.337
188 HD1 HIS 5 HD1 HIS 5 9.585 6.873 -5.912
189 HD2 HIS 5 HD2 HIS 5 11.985 5.583 -9.101
190 HE1 HIS 5 HE1 HIS 5 11.881 7.942 -5.553
191 H LEU 6 H LEU 6 6.150 4.356 -7.078
192 HA LEU 6 HA LEU 6 5.142 3.291 -9.640
193 HB2 LEU 6 HB2 LEU 6 4.293 2.081 -6.965
194 HB3 LEU 6 HB3 LEU 6 3.466 1.882 -8.496
195 HG LEU 6 HG LEU 6 5.852 0.955 -9.297
196 HD11 LEU 6 HD11 LEU 6 6.901 -0.414 -7.532
197 HD12 LEU 6 HD12 LEU 6 5.749 0.184 -6.330
198 HD13 LEU 6 HD13 LEU 6 6.949 1.282 -7.034
199 HD21 LEU 6 HD21 LEU 6 3.706 -0.239 -9.383
200 HD22 LEU 6 HD22 LEU 6 3.835 -0.620 -7.651
201 HD23 LEU 6 HD23 LEU 6 4.997 -1.301 -8.809
202 H CYS 7 HN CYS 7 3.158 4.128 -10.234
203 HA CYS 7 HA CYS 7 1.493 5.595 -8.320
204 HB2 CYS 7 HB2 CYS 7 3.493 7.035 -9.245
205 HB3 CYS 7 HB3 CYS 7 2.515 7.164 -10.694
206 H GLY 8 H GLY 8 -0.589 6.129 -9.130
207 HA2 GLY 8 HA2 GLY 8 -2.533 5.763 -10.347
208 HA3 GLY 8 HA3 GLY 8 -1.496 6.114 -11.723
209 H SER 9 H SER 9 -2.064 4.729 -13.273
210 HA SER 9 HA SER 9 -3.119 2.155 -13.040
211 HB2 SER 9 HB2 SER 9 -1.398 3.227 -15.302
212 HB3 SER 9 HB3 SER 9 -2.577 1.906 -15.395
213 HG SER 9 HG SER 9 -3.468 3.902 -16.142
214 H HIS 10 H HIS 10 0.358 3.053 -12.973
215 HA HIS 10 HA HIS 10 1.282 0.294 -13.328
216 HB2 HIS 10 HB2 HIS 10 2.601 2.358 -13.866
217 HB3 HIS 10 HB3 HIS 10 2.733 2.700 -12.145
218 HD1 HIS 10 HD1 HIS 10 3.284 -0.736 -11.776
219 HD2 HIS 10 HD2 HIS 10 5.344 2.304 -13.830
220 HE1 HIS 10 HE1 HIS 10 5.679 -1.563 -12.068
221 H LEU 11 H LEU 11 0.542 2.375 -10.505
222 HA LEU 11 HA LEU 11 1.350 0.414 -8.525
223 HB2 LEU 11 HB2 LEU 11 1.237 2.829 -8.064
224 HB3 LEU 11 HB3 LEU 11 -0.499 2.839 -8.360
225 HG LEU 11 HG LEU 11 -0.888 1.459 -6.379
226 HD11 LEU 11 HD11 LEU 11 2.135 1.537 -5.973
227 HD12 LEU 11 HD12 LEU 11 1.159 0.090 -6.304
228 HD13 LEU 11 HD13 LEU 11 0.949 0.964 -4.787
229 HD21 LEU 11 HD21 LEU 11 -0.271 3.114 -4.689
230 HD22 LEU 11 HD22 LEU 11 -0.740 3.944 -6.179
231 HD23 LEU 11 HD23 LEU 11 0.980 3.789 -5.757
232 H VAL 12 H VAL 12 -1.751 1.219 -10.060
233 HA VAL 12 HA VAL 12 -3.379 -0.757 -8.785
234 HB VAL 12 HB VAL 12 -3.545 0.553 -11.514
235 HG11 VAL 12 HG11 VAL 12 -5.580 -1.364 -10.315
236 HG12 VAL 12 HG12 VAL 12 -5.882 -0.287 -11.694
237 HG13 VAL 12 HG13 VAL 12 -4.690 -1.579 -11.837
238 HG21 VAL 12 HG21 VAL 12 -5.246 0.832 -8.998
239 HG22 VAL 12 HG22 VAL 12 -3.965 1.954 -9.506
240 HG23 VAL 12 HG23 VAL 12 -5.417 1.773 -10.492
241 H GLU 13 H GLU 13 -1.411 -1.031 -11.823
242 HA GLU 13 HA GLU 13 -2.009 -3.762 -12.329
243 HB2 GLU 13 HB2 GLU 13 -1.019 -2.200 -13.950
244 HB3 GLU 13 HB3 GLU 13 0.491 -2.162 -13.036
245 HG2 GLU 13 HG2 GLU 13 0.845 -4.553 -13.461
246 HG3 GLU 13 HG3 GLU 13 -0.741 -4.679 -14.235
247 H ALA 14 H ALA 14 0.690 -2.300 -10.398
248 HA ALA 14 HA ALA 14 1.898 -4.810 -9.722
249 HB1 ALA 14 HB1 ALA 14 3.008 -2.621 -9.568
250 HB2 ALA 14 HB2 ALA 14 1.926 -2.150 -8.235
251 HB3 ALA 14 HB3 ALA 14 3.080 -3.488 -8.026
252 H LEU 15 H LEU 15 -0.668 -2.918 -8.033
253 HA LEU 15 HA LEU 15 -0.924 -4.699 -5.796
254 HB2 LEU 15 HB2 LEU 15 -2.841 -2.782 -7.173
255 HB3 LEU 15 HB3 LEU 15 -3.296 -3.703 -5.744
256 HG LEU 15 HG LEU 15 -0.869 -1.881 -5.727
257 HD11 LEU 15 HD11 LEU 15 -3.734 -1.189 -4.947
258 HD12 LEU 15 HD12 LEU 15 -2.853 -0.533 -6.345
259 HD13 LEU 15 HD13 LEU 15 -2.308 -0.159 -4.697
260 HD21 LEU 15 HD21 LEU 15 -1.004 -3.541 -3.893
261 HD22 LEU 15 HD22 LEU 15 -2.647 -2.993 -3.504
262 HD23 LEU 15 HD23 LEU 15 -1.261 -1.906 -3.284
263 H TYR 16 H TYR 16 -2.538 -4.795 -9.032
264 HA TYR 16 HA TYR 16 -4.027 -7.203 -8.504
265 HB2 TYR 16 HB2 TYR 16 -2.978 -5.932 -11.063
266 HB3 TYR 16 HB3 TYR 16 -3.826 -7.465 -11.066
267 HD1 TYR 16 HD2 TYR 16 -6.099 -7.243 -9.333
268 HD2 TYR 16 HD1 TYR 16 -4.391 -4.327 -12.018
269 HE1 TYR 16 HE2 TYR 16 -8.330 -6.189 -9.608
270 HE2 TYR 16 HE1 TYR 16 -6.621 -3.281 -12.304
271 HH TYR 16 HH TYR 16 -8.853 -3.333 -11.733
272 H LEU 17 H LEU 17 -0.700 -6.753 -9.810
273 HA LEU 17 HA LEU 17 -0.207 -9.560 -10.224
274 HB2 LEU 17 HB2 LEU 17 1.622 -7.161 -9.812
275 HB3 LEU 17 HB3 LEU 17 2.244 -8.770 -10.136
276 HG LEU 17 HG LEU 17 0.323 -7.343 -12.028
277 HD11 LEU 17 HD11 LEU 17 2.335 -6.857 -13.384
278 HD12 LEU 17 HD12 LEU 17 3.366 -7.523 -12.094
279 HD13 LEU 17 HD13 LEU 17 2.412 -6.051 -11.811
280 HD21 LEU 17 HD21 LEU 17 1.169 -8.984 -13.679
281 HD22 LEU 17 HD22 LEU 17 0.347 -9.791 -12.343
282 HD23 LEU 17 HD23 LEU 17 2.125 -9.776 -12.405
283 H VAL 18 H VAL 18 0.540 -7.470 -7.412
284 HA VAL 18 HA VAL 18 1.803 -9.585 -5.919
285 HB VAL 18 HB VAL 18 0.708 -6.876 -5.097
286 HG11 VAL 18 HG11 VAL 18 2.222 -8.882 -3.369
287 HG12 VAL 18 HG12 VAL 18 2.010 -7.165 -2.975
288 HG13 VAL 18 HG13 VAL 18 0.593 -8.216 -3.064
289 HG21 VAL 18 HG21 VAL 18 3.548 -7.999 -5.376
290 HG22 VAL 18 HG22 VAL 18 2.759 -6.926 -6.549
291 HG23 VAL 18 HG23 VAL 18 3.124 -6.340 -4.919
292 H CYS 19 HN CYS 19 -1.573 -8.289 -5.772
293 HA CYS 19 HA CYS 19 -2.289 -10.156 -3.627
294 HB2 CYS 19 HB2 CYS 19 -3.119 -7.816 -3.866
295 HB3 CYS 19 HB3 CYS 19 -3.989 -8.292 -5.321
296 H GLY 20 H GLY 20 -2.494 -10.188 -7.127
297 HA2 GLY 20 HA2 GLY 20 -3.025 -11.922 -8.576
298 HA3 GLY 20 HA3 GLY 20 -3.365 -12.968 -7.181
299 H GLU 21 H GLU 21 -5.148 -13.764 -8.341
300 HA GLU 21 HA GLU 21 -7.353 -12.235 -9.261
301 HB2 GLU 21 HB2 GLU 21 -8.549 -14.329 -9.391
302 HB3 GLU 21 HB3 GLU 21 -6.896 -14.528 -9.965
303 HG2 GLU 21 HG2 GLU 21 -6.279 -15.578 -7.776
304 HG3 GLU 21 HG3 GLU 21 -7.939 -15.382 -7.219
305 H ARG 22 H ARG 22 -6.470 -12.774 -6.015
306 HA ARG 22 HA ARG 22 -8.981 -12.812 -4.657
307 HB2 ARG 22 HB2 ARG 22 -6.317 -11.600 -3.832
308 HB3 ARG 22 HB3 ARG 22 -7.664 -11.937 -2.747
309 HG2 ARG 22 HG2 ARG 22 -7.435 -14.365 -3.179
310 HG3 ARG 22 HG3 ARG 22 -6.143 -14.059 -4.341
311 HD2 ARG 22 HD2 ARG 22 -5.084 -14.712 -2.316
312 HD3 ARG 22 HD3 ARG 22 -4.783 -12.993 -2.536
313 HE ARG 22 HE ARG 22 -6.460 -12.479 -0.841
314 HH11 ARG 22 HH11 ARG 22 -5.617 -15.929 -0.868
315 HH12 ARG 22 HH12 ARG 22 -6.208 -16.153 0.755
316 HH21 ARG 22 HH21 ARG 22 -7.151 -12.815 1.170
317 HH22 ARG 22 HH22 ARG 22 -7.082 -14.403 1.908
318 H GLY 23 H GLY 23 -7.181 -10.166 -6.159
319 HA2 GLY 23 HA2 GLY 23 -7.836 -8.020 -6.726
320 HA3 GLY 23 HA3 GLY 23 -9.410 -8.284 -5.943
321 H PHE 24 H PHE 24 -7.301 -6.051 -5.879
322 HA PHE 24 HA PHE 24 -6.435 -5.924 -3.102
323 HB2 PHE 24 HB2 PHE 24 -5.716 -3.618 -3.743
324 HB3 PHE 24 HB3 PHE 24 -5.039 -4.923 -4.693
325 HD1 PHE 24 HD2 PHE 24 -7.963 -2.503 -4.807
326 HD2 PHE 24 HD1 PHE 24 -4.983 -4.696 -7.029
327 HE1 PHE 24 HE2 PHE 24 -8.722 -1.432 -6.892
328 HE2 PHE 24 HE1 PHE 24 -5.646 -3.501 -9.079
329 HZ PHE 24 HZ PHE 24 -7.553 -1.904 -9.040
330 H PHE 25 H PHE 25 -6.975 -4.233 -1.627
331 HA PHE 25 HA PHE 25 -9.877 -3.660 -1.450
332 HB2 PHE 25 HB2 PHE 25 -8.594 -4.669 0.421
333 HB3 PHE 25 HB3 PHE 25 -7.561 -3.245 0.486
334 HD1 PHE 25 HD1 PHE 25 -11.082 -4.434 0.914
335 HD2 PHE 25 HD2 PHE 25 -8.236 -1.288 1.711
336 HE1 PHE 25 HE1 PHE 25 -12.688 -3.372 2.489
337 HE2 PHE 25 HE2 PHE 25 -9.839 -0.238 3.287
338 HZ PHE 25 HZ PHE 25 -12.065 -1.286 3.682
339 H TYR 26 H TYR 26 -6.861 -2.003 -2.110
340 HA TYR 26 HA TYR 26 -8.088 0.717 -1.824
341 HB2 TYR 26 HB2 TYR 26 -6.383 0.372 -0.213
342 HB3 TYR 26 HB3 TYR 26 -5.345 -0.459 -1.353
343 HD1 TYR 26 HD2 TYR 26 -3.952 0.728 -2.979
344 HD2 TYR 26 HD1 TYR 26 -6.352 2.845 -0.089
345 HE1 TYR 26 HE2 TYR 26 -2.588 2.764 -3.353
346 HE2 TYR 26 HE1 TYR 26 -4.968 4.888 -0.448
347 HH TYR 26 HH TYR 26 -3.094 5.781 -1.482
348 H THR 27 H THR 27 -7.938 2.183 -3.411
349 HA THR 27 HA THR 27 -6.346 1.607 -5.872
350 HB THR 27 HB THR 27 -7.821 3.294 -7.007
351 HG1 THR 27 HG1 THR 27 -9.645 2.729 -4.924
352 HG21 THR 27 HG21 THR 27 -9.195 0.756 -6.059
353 HG22 THR 27 HG22 THR 27 -8.097 0.916 -7.453
354 HG23 THR 27 HG23 THR 27 -9.664 1.739 -7.462
355 HA PRO 28 HA PRO 28 -3.671 4.867 -4.856
356 HB2 PRO 28 HB2 PRO 28 -4.311 6.154 -7.524
357 HB3 PRO 28 HB3 PRO 28 -2.716 5.884 -6.758
358 HG2 PRO 28 HG2 PRO 28 -3.587 4.203 -8.677
359 HG3 PRO 28 HG3 PRO 28 -2.819 3.531 -7.195
360 HD2 PRO 28 HD2 PRO 28 -5.753 3.708 -7.873
361 HD3 PRO 28 HD3 PRO 28 -4.832 2.378 -7.109
362 H LYS 29 H LYS 29 -3.867 6.525 -3.567
363 HA LYS 29 HA LYS 29 -4.422 8.482 -2.565
364 HB2 LYS 29 HB2 LYS 29 -6.516 9.026 -4.699
365 HB3 LYS 29 HB3 LYS 29 -5.860 10.154 -3.545
366 HG2 LYS 29 HG2 LYS 29 -3.706 10.196 -4.546
367 HG3 LYS 29 HG3 LYS 29 -4.064 8.856 -5.637
368 HD2 LYS 29 HD2 LYS 29 -5.760 11.353 -5.796
369 HD3 LYS 29 HD3 LYS 29 -4.139 11.351 -6.466
370 HE2 LYS 29 HE2 LYS 29 -5.657 10.817 -8.240
371 HE3 LYS 29 HE3 LYS 29 -4.647 9.411 -7.900
372 HZ1 LYS 29 HZ1 LYS 29 -7.014 8.839 -8.214
373 HZ2 LYS 29 HZ2 LYS 29 -7.440 9.754 -6.934
374 HZ3 LYS 29 HZ3 LYS 29 -6.517 8.419 -6.720
375 H THR 30 H THR 30 -6.337 5.903 -2.896
376 HA THR 30 HA THR 30 -7.698 4.809 -1.419
377 HB THR 30 HB THR 30 -9.256 5.724 0.130
378 HG1 THR 30 HG1 THR 30 -8.336 8.260 -0.697
379 HG21 THR 30 HG21 THR 30 -7.012 5.365 0.963
380 HG22 THR 30 HG22 THR 30 -7.753 6.761 1.758
381 HG23 THR 30 HG23 THR 30 -6.526 7.006 0.503
382 H LYS 31 H LYS 31 -8.491 7.156 -3.739
383 HA LYS 31 HA LYS 31 -10.506 5.367 -4.846
384 HB2 LYS 31 HB2 LYS 31 -12.155 7.126 -5.259
385 HB3 LYS 31 HB3 LYS 31 -11.954 6.761 -3.547
386 HG2 LYS 31 HG2 LYS 31 -10.498 8.820 -3.330
387 HG3 LYS 31 HG3 LYS 31 -10.875 9.214 -5.012
388 HD2 LYS 31 HD2 LYS 31 -12.900 8.940 -2.751
389 HD3 LYS 31 HD3 LYS 31 -12.255 10.460 -3.385
390 HE2 LYS 31 HE2 LYS 31 -13.192 9.911 -5.638
391 HE3 LYS 31 HE3 LYS 31 -13.896 8.425 -4.972
392 HZ1 LYS 31 HZ1 LYS 31 -15.513 10.237 -5.021
393 HZ2 LYS 31 HZ2 LYS 31 -14.571 11.177 -4.081
394 HZ3 LYS 31 HZ3 LYS 31 -15.219 9.806 -3.469
395 H ARG 32 H ARG 32 -9.958 5.032 -6.840
396 HA ARG 32 HA ARG 32 -7.788 6.014 -8.146
397 HB2 ARG 32 HB2 ARG 32 -8.343 4.780 -9.989
398 HB3 ARG 32 HB3 ARG 32 -9.153 3.947 -8.683
399 HG2 ARG 32 HG2 ARG 32 -10.427 5.731 -10.794
400 HG3 ARG 32 HG3 ARG 32 -10.528 3.981 -10.681
401 HD2 ARG 32 HD2 ARG 32 -11.870 4.090 -8.669
402 HD3 ARG 32 HD3 ARG 32 -11.666 5.839 -8.550
403 HE ARG 32 HE ARG 32 -13.510 4.407 -10.285
404 HH11 ARG 32 HH21 ARG 32 -11.826 7.496 -9.914
405 HH12 ARG 32 HH22 ARG 32 -13.069 8.341 -10.810
406 HH21 ARG 32 HH12 ARG 32 -14.996 5.574 -11.430
407 HH22 ARG 32 HH11 ARG 32 -14.786 7.286 -11.661
Start of MODEL 43
1 H1 GLY 1 1H GLY 1 -2.738 5.998 3.393
2 H2 GLY 1 2H GLY 1 -1.902 4.981 4.368
3 H3 GLY 1 3H GLY 1 -3.546 4.957 4.371
4 HA2 GLY 1 HA2 GLY 1 -2.678 3.054 3.152
5 HA3 GLY 1 HA3 GLY 1 -3.631 4.133 2.120
6 H ILE 2 H ILE 2 -1.429 2.236 1.410
7 HA ILE 2 HA ILE 2 1.027 3.679 1.098
8 HB ILE 2 HB ILE 2 1.897 1.836 -0.077
9 HG12 ILE 2 HG12 ILE 2 -0.944 0.863 -0.558
10 HG13 ILE 2 HG13 ILE 2 0.190 1.456 -1.768
11 HG21 ILE 2 HG21 ILE 2 -0.057 0.685 1.957
12 HG22 ILE 2 HG22 ILE 2 1.546 0.071 1.527
13 HG23 ILE 2 HG23 ILE 2 1.401 1.612 2.377
14 HD11 ILE 2 HD11 ILE 2 0.419 -1.111 -0.179
15 HD12 ILE 2 HD12 ILE 2 0.153 -0.926 -1.919
16 HD13 ILE 2 HD13 ILE 2 1.719 -0.462 -1.215
17 H VAL 3 H VAL 3 -1.719 3.821 -0.916
18 HA VAL 3 HA VAL 3 -0.577 4.171 -3.444
19 HB VAL 3 HB VAL 3 -2.937 3.827 -3.191
20 HG11 VAL 3 HG11 VAL 3 -3.184 6.669 -2.115
21 HG12 VAL 3 HG12 VAL 3 -4.516 5.550 -2.464
22 HG13 VAL 3 HG13 VAL 3 -3.389 5.192 -1.152
23 HG21 VAL 3 HG21 VAL 3 -2.599 6.546 -4.528
24 HG22 VAL 3 HG22 VAL 3 -2.105 5.008 -5.261
25 HG23 VAL 3 HG23 VAL 3 -3.807 5.306 -4.882
26 H GLU 4 H GLU 4 -0.880 6.617 -0.880
27 HA GLU 4 HA GLU 4 0.107 8.808 -2.534
28 HB2 GLU 4 HB2 GLU 4 -1.215 9.125 -0.463
29 HB3 GLU 4 HB3 GLU 4 0.113 8.455 0.491
30 HG2 GLU 4 HG2 GLU 4 1.582 10.314 -0.276
31 HG3 GLU 4 HG3 GLU 4 0.261 10.946 -1.265
32 H GLN 5 H GLN 5 1.620 6.434 -0.318
33 HA GLN 5 HA GLN 5 4.210 7.769 -0.351
34 HB2 GLN 5 HB2 GLN 5 3.341 6.431 1.563
35 HB3 GLN 5 HB3 GLN 5 3.452 4.960 0.581
36 HG2 GLN 5 HG2 GLN 5 5.917 5.297 0.365
37 HG3 GLN 5 HG3 GLN 5 5.794 6.768 1.334
38 HE21 GLN 5 HE21 GLN 5 4.979 6.448 3.667
39 HE22 GLN 5 HE22 GLN 5 5.366 4.911 4.425
40 H CYS 6 HN CYS 6 2.923 4.810 -1.956
41 HA CYS 6 HA CYS 6 5.282 4.094 -3.415
42 HB2 CYS 6 HB2 CYS 6 2.306 3.789 -3.975
43 HB3 CYS 6 HB3 CYS 6 3.567 3.091 -4.981
44 H CYS 7 HN CYS 7 2.946 6.683 -3.932
45 HA CYS 7 HA CYS 7 3.771 7.132 -6.722
46 HB2 CYS 7 HB2 CYS 7 1.431 7.391 -5.784
47 HB3 CYS 7 HB3 CYS 7 1.967 8.856 -4.992
48 H THR 8 H THR 8 3.992 9.032 -3.643
49 HA THR 8 HA THR 8 5.729 11.038 -4.854
50 HB THR 8 HB THR 8 5.817 12.007 -2.611
51 HG1 THR 8 HG1 THR 8 4.645 10.980 -0.945
52 HG21 THR 8 HG21 THR 8 3.860 12.493 -4.064
53 HG22 THR 8 HG22 THR 8 3.449 12.537 -2.338
54 HG23 THR 8 HG23 THR 8 2.975 11.141 -3.328
55 H SER 9 H SER 9 6.331 8.047 -3.170
56 HA SER 9 HA SER 9 9.267 8.511 -3.339
57 HB2 SER 9 HB2 SER 9 8.363 9.139 -1.063
58 HB3 SER 9 HB3 SER 9 7.872 7.448 -0.860
59 HG SER 9 HG SER 9 9.999 8.003 0.021
60 H ILE 10 H ILE 10 9.969 6.142 -2.073
61 HA ILE 10 HA ILE 10 9.295 4.181 -4.242
62 HB ILE 10 HB ILE 10 11.657 4.268 -2.323
63 HG12 ILE 10 HG12 ILE 10 11.438 5.193 -5.220
64 HG13 ILE 10 HG13 ILE 10 11.734 6.224 -3.822
65 HG21 ILE 10 HG21 ILE 10 11.358 2.717 -4.909
66 HG22 ILE 10 HG22 ILE 10 12.644 2.563 -3.703
67 HG23 ILE 10 HG23 ILE 10 11.018 2.008 -3.317
68 HD11 ILE 10 HD11 ILE 10 13.907 5.015 -3.449
69 HD12 ILE 10 HD12 ILE 10 13.644 4.192 -5.006
70 HD13 ILE 10 HD13 ILE 10 13.803 5.951 -4.956
71 H CYS 11 HN CYS 11 8.299 2.252 -3.799
72 HA CYS 11 HA CYS 11 8.048 1.365 -0.964
73 HB2 CYS 11 HB2 CYS 11 5.743 1.102 -1.065
74 HB3 CYS 11 HB3 CYS 11 6.028 2.684 -1.758
75 H SER 12 H SER 12 7.397 -0.875 -0.698
76 HA SER 12 HA SER 12 8.841 -2.535 -2.721
77 HB2 SER 12 HB2 SER 12 9.506 -3.927 -0.908
78 HB3 SER 12 HB3 SER 12 9.811 -2.246 -0.449
79 HG SER 12 HG SER 12 8.812 -3.325 1.270
80 H LEU 13 H LEU 13 8.330 -4.819 -2.938
81 HA LEU 13 HA LEU 13 5.600 -5.411 -3.493
82 HB2 LEU 13 HB2 LEU 13 7.881 -7.331 -2.897
83 HB3 LEU 13 HB3 LEU 13 6.371 -7.730 -3.728
84 HG LEU 13 HG LEU 13 8.597 -5.941 -4.746
85 HD11 LEU 13 HD11 LEU 13 8.912 -7.683 -6.446
86 HD12 LEU 13 HD12 LEU 13 7.594 -8.634 -5.735
87 HD13 LEU 13 HD13 LEU 13 9.089 -8.355 -4.817
88 HD21 LEU 13 HD21 LEU 13 5.950 -6.607 -6.083
89 HD22 LEU 13 HD22 LEU 13 7.337 -5.851 -6.899
90 HD23 LEU 13 HD23 LEU 13 6.527 -4.993 -5.592
91 H TYR 14 H TYR 14 7.425 -5.807 -0.470
92 HA TYR 14 HA TYR 14 5.508 -7.463 0.898
93 HB2 TYR 14 HB2 TYR 14 7.799 -7.158 1.674
94 HB3 TYR 14 HB3 TYR 14 7.539 -5.433 1.892
95 HD1 TYR 14 HD2 TYR 14 6.457 -8.794 3.121
96 HD2 TYR 14 HD1 TYR 14 6.661 -4.568 3.931
97 HE1 TYR 14 HE2 TYR 14 5.686 -9.204 5.457
98 HE2 TYR 14 HE1 TYR 14 5.881 -4.969 6.259
99 HH TYR 14 HH TYR 14 5.240 -6.527 7.818
100 H GLN 15 H GLN 15 5.641 -3.963 0.312
101 HA GLN 15 HA GLN 15 3.371 -3.344 2.076
102 HB2 GLN 15 HB2 GLN 15 4.750 -1.730 -0.116
103 HB3 GLN 15 HB3 GLN 15 3.480 -1.122 0.943
104 HG2 GLN 15 HG2 GLN 15 4.896 -1.523 2.924
105 HG3 GLN 15 HG3 GLN 15 6.177 -2.181 1.907
106 HE21 GLN 15 HE21 GLN 15 4.550 0.797 2.912
107 HE22 GLN 15 HE22 GLN 15 5.708 1.886 2.171
108 H LEU 16 H LEU 16 3.854 -3.963 -1.434
109 HA LEU 16 HA LEU 16 1.110 -3.655 -2.189
110 HB2 LEU 16 HB2 LEU 16 3.211 -5.539 -3.342
111 HB3 LEU 16 HB3 LEU 16 1.694 -5.120 -4.092
112 HG LEU 16 HG LEU 16 4.095 -3.307 -3.610
113 HD11 LEU 16 HD11 LEU 16 4.196 -4.826 -5.553
114 HD12 LEU 16 HD12 LEU 16 4.086 -3.145 -6.059
115 HD13 LEU 16 HD13 LEU 16 2.650 -4.197 -6.150
116 HD21 LEU 16 HD21 LEU 16 2.135 -1.906 -3.190
117 HD22 LEU 16 HD22 LEU 16 1.362 -2.492 -4.685
118 HD23 LEU 16 HD23 LEU 16 2.840 -1.510 -4.755
119 H GLU 17 H GLU 17 2.821 -6.593 -1.021
120 HA GLU 17 HA GLU 17 0.575 -8.335 -0.961
121 HB2 GLU 17 HB2 GLU 17 3.071 -8.224 0.768
122 HB3 GLU 17 HB3 GLU 17 1.823 -9.457 0.956
123 HG2 GLU 17 HG2 GLU 17 2.110 -10.104 -1.433
124 HG3 GLU 17 HG3 GLU 17 3.453 -8.970 -1.569
125 H ASN 18 H ASN 18 1.603 -5.914 1.503
126 HA ASN 18 HA ASN 18 -0.427 -6.595 3.409
127 HB2 ASN 18 HB2 ASN 18 1.639 -5.320 3.912
128 HB3 ASN 18 HB3 ASN 18 1.010 -3.962 2.971
129 HD21 ASN 18 HD21 ASN 18 0.170 -6.061 5.799
130 HD22 ASN 18 HD22 ASN 18 -0.669 -4.786 6.655
131 H TYR 19 H TYR 19 -0.588 -4.792 0.423
132 HA TYR 19 HA TYR 19 -3.304 -3.745 0.963
133 HB2 TYR 19 HB2 TYR 19 -1.077 -3.009 -0.762
134 HB3 TYR 19 HB3 TYR 19 -2.491 -3.318 -1.739
135 HD1 TYR 19 HD2 TYR 19 -2.055 -1.753 1.669
136 HD2 TYR 19 HD1 TYR 19 -3.429 -1.285 -2.391
137 HE1 TYR 19 HE2 TYR 19 -2.927 0.503 2.226
138 HE2 TYR 19 HE1 TYR 19 -4.245 0.996 -1.856
139 HH TYR 19 HH TYR 19 -4.537 2.588 -0.217
140 H CYS 20 HN CYS 20 -2.192 -6.769 -0.009
141 HA CYS 20 HA CYS 20 -4.278 -7.347 -1.960
142 HB2 CYS 20 HB2 CYS 20 -2.602 -9.208 -0.253
143 HB3 CYS 20 HB3 CYS 20 -3.662 -9.698 -1.567
144 H ASN 21 H ASN 21 -6.026 -8.835 -1.615
145 HA ASN 21 HA ASN 21 -7.804 -8.066 0.474
146 HB2 ASN 21 HB2 ASN 21 -8.483 -8.864 -1.794
147 HB3 ASN 21 HB3 ASN 21 -7.885 -10.478 -1.394
148 HD21 ASN 21 HD21 ASN 21 -10.268 -8.007 -0.324
149 HD22 ASN 21 HD22 ASN 21 -11.416 -9.196 0.265
150 H1 PHE 1 H1 PHE 1 11.655 -4.124 -10.051
151 H2 PHE 1 H2 PHE 1 11.064 -5.621 -10.355
152 H3 PHE 1 H3 PHE 1 12.282 -5.025 -11.274
153 HA PHE 1 HA PHE 1 13.110 -6.649 -9.778
154 HB2 PHE 1 HB2 PHE 1 14.907 -5.422 -8.684
155 HB3 PHE 1 HB3 PHE 1 14.709 -5.044 -10.375
156 HD1 PHE 1 HD1 PHE 1 13.894 -2.801 -11.122
157 HD2 PHE 1 HD2 PHE 1 14.735 -3.705 -6.988
158 HE1 PHE 1 HE1 PHE 1 14.035 -0.378 -10.617
159 HE2 PHE 1 HE2 PHE 1 14.849 -1.280 -6.484
160 HZ PHE 1 HZ PHE 1 14.511 0.384 -8.296
161 H VAL 2 H VAL 2 11.853 -3.960 -7.633
162 HA VAL 2 HA VAL 2 10.387 -5.626 -6.017
163 HB VAL 2 HB VAL 2 12.200 -6.897 -5.182
164 HG11 VAL 2 HG11 VAL 2 13.642 -4.340 -4.333
165 HG12 VAL 2 HG12 VAL 2 14.150 -6.001 -4.000
166 HG13 VAL 2 HG13 VAL 2 14.116 -5.423 -5.670
167 HG21 VAL 2 HG21 VAL 2 12.105 -6.612 -2.813
168 HG22 VAL 2 HG22 VAL 2 11.533 -4.944 -2.967
169 HG23 VAL 2 HG23 VAL 2 10.508 -6.302 -3.499
170 H ASN 3 H ASN 3 12.632 -2.818 -5.579
171 HA ASN 3 HA ASN 3 10.504 -1.490 -3.947
172 HB2 ASN 3 HB2 ASN 3 12.573 -2.344 -2.776
173 HB3 ASN 3 HB3 ASN 3 13.522 -1.213 -3.732
174 HD21 ASN 3 HD22 ASN 3 14.147 0.335 -2.200
175 HD22 ASN 3 HD21 ASN 3 13.021 1.157 -1.137
176 H GLN 4 H GLN 4 9.500 -0.062 -5.312
177 HA GLN 4 HA GLN 4 11.106 1.757 -7.083
178 HB2 GLN 4 HB2 GLN 4 8.971 -0.269 -7.858
179 HB3 GLN 4 HB3 GLN 4 9.402 1.066 -8.910
180 HG2 GLN 4 HG2 GLN 4 11.408 0.173 -9.541
181 HG3 GLN 4 HG3 GLN 4 11.709 -0.610 -7.997
182 HE21 GLN 4 HE21 GLN 4 9.215 -0.941 -10.624
183 HE22 GLN 4 HE22 GLN 4 9.282 -2.691 -10.592
184 H HIS 5 H HIS 5 9.660 3.382 -8.213
185 HA HIS 5 HA HIS 5 7.497 4.427 -6.480
186 HB2 HIS 5 HB2 HIS 5 8.756 5.322 -9.113
187 HB3 HIS 5 HB3 HIS 5 7.230 5.977 -8.551
188 HD1 HIS 5 HD1 HIS 5 7.308 7.922 -6.798
189 HD2 HIS 5 HD2 HIS 5 10.966 5.983 -7.558
190 HE1 HIS 5 HE1 HIS 5 9.120 9.374 -5.761
191 H LEU 6 H LEU 6 5.339 4.054 -6.902
192 HA LEU 6 HA LEU 6 4.399 2.911 -9.469
193 HB2 LEU 6 HB2 LEU 6 3.985 1.664 -6.711
194 HB3 LEU 6 HB3 LEU 6 3.009 1.256 -8.119
195 HG LEU 6 HG LEU 6 6.020 0.810 -7.967
196 HD11 LEU 6 HD11 LEU 6 4.864 -0.530 -6.282
197 HD12 LEU 6 HD12 LEU 6 5.419 -1.566 -7.606
198 HD13 LEU 6 HD13 LEU 6 3.707 -1.107 -7.491
199 HD21 LEU 6 HD21 LEU 6 5.608 -0.693 -9.900
200 HD22 LEU 6 HD22 LEU 6 5.165 0.974 -10.300
201 HD23 LEU 6 HD23 LEU 6 3.898 -0.207 -9.925
202 H CYS 7 HN CYS 7 2.570 4.019 -10.067
203 HA CYS 7 HA CYS 7 0.746 5.048 -7.969
204 HB2 CYS 7 HB2 CYS 7 2.597 6.712 -8.603
205 HB3 CYS 7 HB3 CYS 7 1.781 6.877 -10.154
206 H GLY 8 H GLY 8 -1.361 5.357 -8.591
207 HA2 GLY 8 HA2 GLY 8 -3.324 4.954 -9.760
208 HA3 GLY 8 HA3 GLY 8 -2.429 5.584 -11.144
209 H SER 9 H SER 9 -2.658 4.321 -12.842
210 HA SER 9 HA SER 9 -3.561 1.633 -12.879
211 HB2 SER 9 HB2 SER 9 -2.814 1.727 -15.271
212 HB3 SER 9 HB3 SER 9 -3.885 3.045 -14.775
213 HG SER 9 HG SER 9 -2.063 3.794 -16.016
214 H HIS 10 H HIS 10 -0.169 2.880 -12.871
215 HA HIS 10 HA HIS 10 1.034 0.314 -13.379
216 HB2 HIS 10 HB2 HIS 10 2.149 2.759 -11.926
217 HB3 HIS 10 HB3 HIS 10 3.081 1.422 -12.566
218 HD1 HIS 10 HD1 HIS 10 3.096 1.232 -15.369
219 HD2 HIS 10 HD2 HIS 10 1.593 4.733 -13.571
220 HE1 HIS 10 HE1 HIS 10 3.018 3.007 -17.196
221 H LEU 11 H LEU 11 0.120 1.987 -10.351
222 HA LEU 11 HA LEU 11 1.165 -0.066 -8.583
223 HB2 LEU 11 HB2 LEU 11 0.821 2.266 -7.879
224 HB3 LEU 11 HB3 LEU 11 -0.908 2.134 -8.187
225 HG LEU 11 HG LEU 11 -1.192 0.588 -6.347
226 HD11 LEU 11 HD11 LEU 11 0.653 0.035 -4.795
227 HD12 LEU 11 HD12 LEU 11 1.818 0.800 -5.896
228 HD13 LEU 11 HD13 LEU 11 0.940 -0.661 -6.394
229 HD21 LEU 11 HD21 LEU 11 -0.719 2.101 -4.530
230 HD22 LEU 11 HD22 LEU 11 -1.119 3.064 -5.964
231 HD23 LEU 11 HD23 LEU 11 0.564 2.911 -5.461
232 H VAL 12 H VAL 12 -2.057 0.586 -9.960
233 HA VAL 12 HA VAL 12 -3.402 -1.647 -8.781
234 HB VAL 12 HB VAL 12 -3.887 -0.080 -11.325
235 HG11 VAL 12 HG11 VAL 12 -5.636 -2.307 -10.203
236 HG12 VAL 12 HG12 VAL 12 -6.182 -1.104 -11.390
237 HG13 VAL 12 HG13 VAL 12 -4.893 -2.225 -11.820
238 HG21 VAL 12 HG21 VAL 12 -5.411 -0.231 -8.681
239 HG22 VAL 12 HG22 VAL 12 -4.262 1.050 -9.107
240 HG23 VAL 12 HG23 VAL 12 -5.763 0.868 -10.033
241 H GLU 13 H GLU 13 -1.601 -1.438 -11.903
242 HA GLU 13 HA GLU 13 -1.946 -4.164 -12.662
243 HB2 GLU 13 HB2 GLU 13 -1.120 -2.273 -14.112
244 HB3 GLU 13 HB3 GLU 13 0.414 -2.326 -13.242
245 HG2 GLU 13 HG2 GLU 13 0.728 -3.522 -15.267
246 HG3 GLU 13 HG3 GLU 13 0.684 -4.734 -13.987
247 H ALA 14 H ALA 14 0.699 -2.607 -10.721
248 HA ALA 14 HA ALA 14 2.175 -5.002 -10.262
249 HB1 ALA 14 HB1 ALA 14 3.238 -3.715 -8.476
250 HB2 ALA 14 HB2 ALA 14 3.003 -2.685 -9.897
251 HB3 ALA 14 HB3 ALA 14 1.917 -2.528 -8.497
252 H LEU 15 H LEU 15 -0.564 -3.592 -8.417
253 HA LEU 15 HA LEU 15 -0.607 -5.645 -6.389
254 HB2 LEU 15 HB2 LEU 15 -2.695 -3.695 -7.427
255 HB3 LEU 15 HB3 LEU 15 -2.995 -4.806 -6.091
256 HG LEU 15 HG LEU 15 -0.695 -2.819 -6.012
257 HD11 LEU 15 HD11 LEU 15 -2.147 -1.389 -4.641
258 HD12 LEU 15 HD12 LEU 15 -3.503 -2.516 -4.880
259 HD13 LEU 15 HD13 LEU 15 -2.838 -1.599 -6.258
260 HD21 LEU 15 HD21 LEU 15 -2.166 -4.378 -3.836
261 HD22 LEU 15 HD22 LEU 15 -0.851 -3.215 -3.574
262 HD23 LEU 15 HD23 LEU 15 -0.531 -4.730 -4.427
263 H TYR 16 H TYR 16 -2.289 -5.489 -9.603
264 HA TYR 16 HA TYR 16 -3.628 -8.014 -9.256
265 HB2 TYR 16 HB2 TYR 16 -2.688 -6.473 -11.696
266 HB3 TYR 16 HB3 TYR 16 -3.374 -8.071 -11.845
267 HD1 TYR 16 HD1 TYR 16 -5.656 -8.325 -10.243
268 HD2 TYR 16 HD2 TYR 16 -4.249 -4.828 -12.339
269 HE1 TYR 16 HE1 TYR 16 -7.983 -7.469 -10.360
270 HE2 TYR 16 HE2 TYR 16 -6.578 -3.971 -12.469
271 HH TYR 16 HH TYR 16 -9.361 -5.769 -11.082
272 H LEU 17 H LEU 17 -0.330 -7.265 -10.444
273 HA LEU 17 HA LEU 17 0.376 -10.006 -10.999
274 HB2 LEU 17 HB2 LEU 17 2.035 -7.521 -10.420
275 HB3 LEU 17 HB3 LEU 17 2.753 -9.060 -10.861
276 HG LEU 17 HG LEU 17 0.739 -7.605 -12.633
277 HD11 LEU 17 HD11 LEU 17 2.679 -6.878 -13.961
278 HD12 LEU 17 HD12 LEU 17 3.784 -7.593 -12.771
279 HD13 LEU 17 HD13 LEU 17 2.753 -6.218 -12.322
280 HD21 LEU 17 HD21 LEU 17 2.678 -9.892 -13.207
281 HD22 LEU 17 HD22 LEU 17 1.659 -9.070 -14.407
282 HD23 LEU 17 HD23 LEU 17 0.906 -10.017 -13.123
283 H VAL 18 H VAL 18 0.967 -8.012 -8.073
284 HA VAL 18 HA VAL 18 2.305 -10.146 -6.669
285 HB VAL 18 HB VAL 18 1.119 -7.515 -5.736
286 HG11 VAL 18 HG11 VAL 18 2.356 -7.858 -3.588
287 HG12 VAL 18 HG12 VAL 18 1.011 -8.975 -3.761
288 HG13 VAL 18 HG13 VAL 18 2.670 -9.543 -4.058
289 HG21 VAL 18 HG21 VAL 18 3.182 -7.399 -7.123
290 HG22 VAL 18 HG22 VAL 18 3.527 -6.951 -5.449
291 HG23 VAL 18 HG23 VAL 18 3.982 -8.554 -6.037
292 H CYS 19 HN CYS 19 -1.106 -8.930 -6.413
293 HA CYS 19 HA CYS 19 -1.720 -10.853 -4.312
294 HB2 CYS 19 HB2 CYS 19 -3.584 -9.082 -5.924
295 HB3 CYS 19 HB3 CYS 19 -3.936 -9.880 -4.395
296 H GLY 20 H GLY 20 -2.216 -10.789 -7.827
297 HA2 GLY 20 HA2 GLY 20 -2.942 -12.436 -9.295
298 HA3 GLY 20 HA3 GLY 20 -2.794 -13.603 -7.969
299 H GLU 21 H GLU 21 -4.643 -14.708 -8.189
300 HA GLU 21 HA GLU 21 -7.192 -13.709 -8.889
301 HB2 GLU 21 HB2 GLU 21 -6.356 -16.057 -9.060
302 HB3 GLU 21 HB3 GLU 21 -6.517 -16.221 -7.307
303 HG2 GLU 21 HG2 GLU 21 -8.946 -15.920 -7.467
304 HG3 GLU 21 HG3 GLU 21 -8.810 -15.551 -9.190
305 H ARG 22 H ARG 22 -5.606 -13.622 -5.769
306 HA ARG 22 HA ARG 22 -7.852 -13.524 -4.019
307 HB2 ARG 22 HB2 ARG 22 -5.128 -12.182 -3.792
308 HB3 ARG 22 HB3 ARG 22 -6.296 -12.319 -2.475
309 HG2 ARG 22 HG2 ARG 22 -6.189 -14.741 -2.513
310 HG3 ARG 22 HG3 ARG 22 -5.086 -14.735 -3.898
311 HD2 ARG 22 HD2 ARG 22 -4.447 -13.410 -1.228
312 HD3 ARG 22 HD3 ARG 22 -4.011 -15.080 -1.634
313 HE ARG 22 HE ARG 22 -3.059 -13.485 -3.747
314 HH11 ARG 22 HH11 ARG 22 -2.334 -13.786 -0.289
315 HH12 ARG 22 HH12 ARG 22 -0.662 -13.380 -0.511
316 HH21 ARG 22 HH22 ARG 22 -0.875 -13.084 -3.973
317 HH22 ARG 22 HH21 ARG 22 0.146 -12.961 -2.575
318 H GLY 23 H GLY 23 -6.396 -10.991 -6.027
319 HA2 GLY 23 HA2 GLY 23 -7.100 -8.812 -6.513
320 HA3 GLY 23 HA3 GLY 23 -8.561 -9.087 -5.550
321 H PHE 24 H PHE 24 -7.848 -6.737 -5.186
322 HA PHE 24 HA PHE 24 -6.064 -6.498 -2.818
323 HB2 PHE 24 HB2 PHE 24 -5.335 -4.335 -3.898
324 HB3 PHE 24 HB3 PHE 24 -4.864 -5.832 -4.682
325 HD1 PHE 24 HD2 PHE 24 -7.851 -3.485 -4.938
326 HD2 PHE 24 HD1 PHE 24 -4.834 -5.798 -6.985
327 HE1 PHE 24 HE2 PHE 24 -8.716 -2.698 -7.109
328 HE2 PHE 24 HE1 PHE 24 -5.659 -4.945 -9.144
329 HZ PHE 24 HZ PHE 24 -7.624 -3.423 -9.228
330 H PHE 25 H PHE 25 -6.198 -4.477 -1.684
331 HA PHE 25 HA PHE 25 -8.962 -3.706 -0.982
332 HB2 PHE 25 HB2 PHE 25 -7.271 -4.551 0.675
333 HB3 PHE 25 HB3 PHE 25 -6.249 -3.167 0.310
334 HD1 PHE 25 HD1 PHE 25 -9.750 -3.991 1.450
335 HD2 PHE 25 HD2 PHE 25 -6.411 -1.268 1.705
336 HE1 PHE 25 HE1 PHE 25 -10.915 -2.716 3.238
337 HE2 PHE 25 HE2 PHE 25 -7.578 -0.004 3.496
338 HZ PHE 25 HZ PHE 25 -9.838 -0.724 4.260
339 H TYR 26 H TYR 26 -6.848 -2.591 -3.218
340 HA TYR 26 HA TYR 26 -6.209 0.025 -2.721
341 HB2 TYR 26 HB2 TYR 26 -5.399 -1.317 -4.603
342 HB3 TYR 26 HB3 TYR 26 -6.973 -1.216 -5.378
343 HD1 TYR 26 HD1 TYR 26 -3.955 0.731 -4.425
344 HD2 TYR 26 HD2 TYR 26 -7.667 0.720 -6.625
345 HE1 TYR 26 HE1 TYR 26 -3.293 2.836 -5.571
346 HE2 TYR 26 HE2 TYR 26 -6.999 2.810 -7.784
347 HH TYR 26 HH TYR 26 -5.364 4.422 -8.033
348 H THR 27 H THR 27 -6.960 1.994 -2.915
349 HA THR 27 HA THR 27 -9.191 2.815 -4.508
350 HB THR 27 HB THR 27 -10.683 2.211 -2.861
351 HG1 THR 27 HG1 THR 27 -11.489 4.148 -2.321
352 HG21 THR 27 HG21 THR 27 -8.752 3.250 -0.741
353 HG22 THR 27 HG22 THR 27 -9.349 1.597 -0.972
354 HG23 THR 27 HG23 THR 27 -10.462 2.851 -0.436
355 HA PRO 28 HA PRO 28 -5.997 5.786 -4.587
356 HB2 PRO 28 HB2 PRO 28 -7.044 7.776 -6.175
357 HB3 PRO 28 HB3 PRO 28 -6.546 6.169 -6.780
358 HG2 PRO 28 HG2 PRO 28 -9.324 7.095 -5.987
359 HG3 PRO 28 HG3 PRO 28 -8.831 6.227 -7.478
360 HD2 PRO 28 HD2 PRO 28 -9.891 4.912 -5.349
361 HD3 PRO 28 HD3 PRO 28 -8.558 4.188 -6.302
362 H LYS 29 H LYS 29 -5.188 7.509 -3.546
363 HA LYS 29 HA LYS 29 -7.001 9.515 -2.259
364 HB2 LYS 29 HB2 LYS 29 -4.460 8.320 -1.064
365 HB3 LYS 29 HB3 LYS 29 -5.478 9.542 -0.314
366 HG2 LYS 29 HG2 LYS 29 -6.355 6.692 -0.927
367 HG3 LYS 29 HG3 LYS 29 -5.790 7.251 0.634
368 HD2 LYS 29 HD2 LYS 29 -7.666 8.646 1.004
369 HD3 LYS 29 HD3 LYS 29 -8.170 8.628 -0.679
370 HE2 LYS 29 HE2 LYS 29 -8.233 6.189 1.142
371 HE3 LYS 29 HE3 LYS 29 -9.608 7.248 0.795
372 HZ1 LYS 29 HZ1 LYS 29 -8.153 5.592 -1.191
373 HZ2 LYS 29 HZ2 LYS 29 -9.247 6.717 -1.603
374 HZ3 LYS 29 HZ3 LYS 29 -9.716 5.420 -0.729
375 H THR 30 H THR 30 -4.784 9.126 -4.588
376 HA THR 30 HA THR 30 -3.217 11.631 -4.226
377 HB THR 30 HB THR 30 -2.079 10.707 -6.334
378 HG1 THR 30 HG1 THR 30 -2.458 8.509 -6.724
379 HG21 THR 30 HG21 THR 30 -2.013 8.942 -3.839
380 HG22 THR 30 HG22 THR 30 -1.100 10.451 -4.065
381 HG23 THR 30 HG23 THR 30 -0.757 9.058 -5.092
382 H LYS 31 H LYS 31 -4.941 10.009 -6.877
383 HA LYS 31 HA LYS 31 -5.622 12.538 -8.194
384 HB2 LYS 31 HB2 LYS 31 -6.532 11.120 -9.928
385 HB3 LYS 31 HB3 LYS 31 -4.931 10.553 -9.462
386 HG2 LYS 31 HG2 LYS 31 -5.938 8.741 -8.110
387 HG3 LYS 31 HG3 LYS 31 -7.563 9.292 -8.541
388 HD2 LYS 31 HD2 LYS 31 -5.458 8.291 -10.513
389 HD3 LYS 31 HD3 LYS 31 -6.794 7.333 -9.855
390 HE2 LYS 31 HE2 LYS 31 -8.426 8.940 -10.843
391 HE3 LYS 31 HE3 LYS 31 -7.089 9.856 -11.547
392 HZ1 LYS 31 HZ1 LYS 31 -8.029 8.315 -13.157
393 HZ2 LYS 31 HZ2 LYS 31 -7.744 7.033 -12.189
394 HZ3 LYS 31 HZ3 LYS 31 -6.490 7.877 -12.824
395 H ARG 32 H ARG 32 -7.034 11.096 -5.612
396 HA ARG 32 HA ARG 32 -9.759 12.208 -6.097
397 HB2 ARG 32 HB2 ARG 32 -9.739 9.749 -6.583
398 HB3 ARG 32 HB3 ARG 32 -9.145 9.449 -4.948
399 HG2 ARG 32 HG2 ARG 32 -11.221 10.427 -4.006
400 HG3 ARG 32 HG3 ARG 32 -11.801 10.778 -5.651
401 HD2 ARG 32 HD2 ARG 32 -11.721 8.334 -6.161
402 HD3 ARG 32 HD3 ARG 32 -11.200 8.018 -4.497
403 HE ARG 32 HE ARG 32 -13.597 9.528 -4.391
404 HH11 ARG 32 HH11 ARG 32 -12.650 6.295 -5.362
405 HH12 ARG 32 HH12 ARG 32 -14.228 5.638 -5.018
406 HH21 ARG 32 HH21 ARG 32 -15.571 8.614 -3.957
407 HH22 ARG 32 HH22 ARG 32 -15.825 6.912 -4.235
Start of MODEL 44
1 H1 GLY 1 1H GLY 1 -2.860 5.980 2.385
2 H2 GLY 1 2H GLY 1 -2.825 4.504 3.115
3 H3 GLY 1 3H GLY 1 -4.245 5.325 2.975
4 HA2 GLY 1 HA2 GLY 1 -4.237 3.600 1.344
5 HA3 GLY 1 HA3 GLY 1 -4.093 5.177 0.542
6 H ILE 2 H ILE 2 -3.353 3.245 -0.971
7 HA ILE 2 HA ILE 2 -0.488 2.589 -0.621
8 HB ILE 2 HB ILE 2 -2.180 0.866 -1.167
9 HG12 ILE 2 HG12 ILE 2 -0.909 -0.357 -2.850
10 HG13 ILE 2 HG13 ILE 2 -0.045 1.107 -3.319
11 HG21 ILE 2 HG21 ILE 2 -3.581 2.184 -2.769
12 HG22 ILE 2 HG22 ILE 2 -2.281 2.061 -3.970
13 HG23 ILE 2 HG23 ILE 2 -3.100 0.604 -3.392
14 HD11 ILE 2 HD11 ILE 2 1.240 -0.456 -1.819
15 HD12 ILE 2 HD12 ILE 2 1.101 1.175 -1.157
16 HD13 ILE 2 HD13 ILE 2 0.067 -0.127 -0.532
17 H VAL 3 H VAL 3 -2.397 4.648 -2.840
18 HA VAL 3 HA VAL 3 -0.286 4.731 -4.817
19 HB VAL 3 HB VAL 3 -2.496 6.763 -4.438
20 HG11 VAL 3 HG11 VAL 3 -0.780 6.126 -6.880
21 HG12 VAL 3 HG12 VAL 3 -2.175 7.225 -6.865
22 HG13 VAL 3 HG13 VAL 3 -0.731 7.626 -5.940
23 HG21 VAL 3 HG21 VAL 3 -3.383 4.420 -4.824
24 HG22 VAL 3 HG22 VAL 3 -3.728 5.506 -6.175
25 HG23 VAL 3 HG23 VAL 3 -2.411 4.335 -6.286
26 H GLU 4 H GLU 4 -1.009 6.794 -1.972
27 HA GLU 4 HA GLU 4 1.062 8.722 -2.556
28 HB2 GLU 4 HB2 GLU 4 0.687 9.575 -0.354
29 HB3 GLU 4 HB3 GLU 4 -0.861 9.285 -1.110
30 HG2 GLU 4 HG2 GLU 4 0.291 7.169 0.738
31 HG3 GLU 4 HG3 GLU 4 -0.381 8.650 1.404
32 H GLN 5 H GLN 5 1.362 5.482 -1.605
33 HA GLN 5 HA GLN 5 4.067 5.948 -0.412
34 HB2 GLN 5 HB2 GLN 5 2.394 3.403 -0.691
35 HB3 GLN 5 HB3 GLN 5 4.045 3.476 -0.078
36 HG2 GLN 5 HG2 GLN 5 3.347 4.906 1.792
37 HG3 GLN 5 HG3 GLN 5 1.694 4.955 1.172
38 HE21 GLN 5 HE21 GLN 5 0.266 3.284 1.769
39 HE22 GLN 5 HE22 GLN 5 0.816 1.858 2.662
40 H CYS 6 HN CYS 6 2.493 3.956 -2.977
41 HA CYS 6 HA CYS 6 5.035 3.297 -4.148
42 HB2 CYS 6 HB2 CYS 6 2.179 2.957 -5.119
43 HB3 CYS 6 HB3 CYS 6 3.585 2.212 -5.865
44 H CYS 7 HN CYS 7 2.783 5.871 -4.979
45 HA CYS 7 HA CYS 7 4.064 6.306 -7.618
46 HB2 CYS 7 HB2 CYS 7 1.596 6.603 -7.126
47 HB3 CYS 7 HB3 CYS 7 2.016 8.028 -6.183
48 H THR 8 H THR 8 3.748 8.074 -4.539
49 HA THR 8 HA THR 8 5.418 10.288 -5.113
50 HB THR 8 HB THR 8 4.894 9.048 -2.388
51 HG1 THR 8 HG1 THR 8 2.974 10.009 -2.409
52 HG21 THR 8 HG21 THR 8 4.862 11.427 -1.649
53 HG22 THR 8 HG22 THR 8 5.289 11.943 -3.297
54 HG23 THR 8 HG23 THR 8 6.430 10.972 -2.331
55 H SER 9 H SER 9 6.171 7.116 -3.678
56 HA SER 9 HA SER 9 9.109 7.642 -3.850
57 HB2 SER 9 HB2 SER 9 7.581 6.622 -1.420
58 HB3 SER 9 HB3 SER 9 9.342 6.694 -1.568
59 HG SER 9 HG SER 9 8.506 8.501 -0.424
60 H ILE 10 H ILE 10 10.184 5.373 -2.983
61 HA ILE 10 HA ILE 10 9.052 3.168 -4.618
62 HB ILE 10 HB ILE 10 11.501 3.335 -2.820
63 HG12 ILE 10 HG12 ILE 10 11.336 3.127 -5.862
64 HG13 ILE 10 HG13 ILE 10 11.557 4.646 -4.999
65 HG21 ILE 10 HG21 ILE 10 10.621 1.031 -2.834
66 HG22 ILE 10 HG22 ILE 10 10.519 1.069 -4.606
67 HG23 ILE 10 HG23 ILE 10 12.096 1.100 -3.780
68 HD11 ILE 10 HD11 ILE 10 13.705 3.903 -5.764
69 HD12 ILE 10 HD12 ILE 10 13.657 3.802 -3.994
70 HD13 ILE 10 HD13 ILE 10 13.524 2.331 -4.982
71 H CYS 11 HN CYS 11 7.536 1.835 -3.820
72 HA CYS 11 HA CYS 11 7.231 1.499 -0.862
73 HB2 CYS 11 HB2 CYS 11 5.006 0.751 -1.280
74 HB3 CYS 11 HB3 CYS 11 5.245 2.274 -2.118
75 H SER 12 H SER 12 6.884 -0.678 -0.060
76 HA SER 12 HA SER 12 8.646 -2.666 -1.365
77 HB2 SER 12 HB2 SER 12 8.746 -2.334 1.058
78 HB3 SER 12 HB3 SER 12 7.044 -2.806 1.212
79 HG SER 12 HG SER 12 8.694 -4.512 1.575
80 H LEU 13 H LEU 13 7.995 -4.804 -1.952
81 HA LEU 13 HA LEU 13 5.406 -5.114 -3.225
82 HB2 LEU 13 HB2 LEU 13 7.500 -7.195 -2.463
83 HB3 LEU 13 HB3 LEU 13 6.107 -7.459 -3.488
84 HG LEU 13 HG LEU 13 7.946 -7.349 -4.910
85 HD11 LEU 13 HD11 LEU 13 5.966 -6.158 -5.759
86 HD12 LEU 13 HD12 LEU 13 7.472 -5.509 -6.424
87 HD13 LEU 13 HD13 LEU 13 6.628 -4.618 -5.148
88 HD21 LEU 13 HD21 LEU 13 9.553 -6.191 -3.384
89 HD22 LEU 13 HD22 LEU 13 8.812 -4.642 -3.855
90 HD23 LEU 13 HD23 LEU 13 9.607 -5.646 -5.070
91 H TYR 14 H TYR 14 6.661 -5.781 0.005
92 HA TYR 14 HA TYR 14 4.381 -7.274 0.966
93 HB2 TYR 14 HB2 TYR 14 6.578 -7.256 2.079
94 HB3 TYR 14 HB3 TYR 14 6.422 -5.535 2.404
95 HD1 TYR 14 HD2 TYR 14 4.866 -8.866 3.124
96 HD2 TYR 14 HD1 TYR 14 5.294 -4.754 4.362
97 HE1 TYR 14 HE2 TYR 14 3.663 -9.375 5.247
98 HE2 TYR 14 HE1 TYR 14 4.095 -5.260 6.475
99 HH TYR 14 HH TYR 14 3.022 -6.865 7.731
100 H GLN 15 H GLN 15 4.932 -3.821 0.462
101 HA GLN 15 HA GLN 15 2.579 -2.991 2.049
102 HB2 GLN 15 HB2 GLN 15 4.467 -1.470 0.211
103 HB3 GLN 15 HB3 GLN 15 3.072 -0.738 0.998
104 HG2 GLN 15 HG2 GLN 15 3.939 -1.176 3.202
105 HG3 GLN 15 HG3 GLN 15 5.248 -2.175 2.584
106 HE21 GLN 15 HE21 GLN 15 5.440 0.283 4.281
107 HE22 GLN 15 HE22 GLN 15 6.446 1.372 3.340
108 H LEU 16 H LEU 16 3.375 -3.608 -1.408
109 HA LEU 16 HA LEU 16 0.766 -2.976 -2.445
110 HB2 LEU 16 HB2 LEU 16 2.758 -5.134 -3.296
111 HB3 LEU 16 HB3 LEU 16 1.328 -4.689 -4.203
112 HG LEU 16 HG LEU 16 3.670 -2.823 -3.615
113 HD11 LEU 16 HD11 LEU 16 4.246 -3.144 -5.962
114 HD12 LEU 16 HD12 LEU 16 2.848 -4.223 -6.198
115 HD13 LEU 16 HD13 LEU 16 4.189 -4.716 -5.151
116 HD21 LEU 16 HD21 LEU 16 1.584 -1.542 -3.940
117 HD22 LEU 16 HD22 LEU 16 1.223 -2.468 -5.413
118 HD23 LEU 16 HD23 LEU 16 2.625 -1.384 -5.361
119 H GLU 17 H GLU 17 2.030 -6.094 -1.166
120 HA GLU 17 HA GLU 17 -0.453 -7.485 -1.252
121 HB2 GLU 17 HB2 GLU 17 2.034 -7.862 0.452
122 HB3 GLU 17 HB3 GLU 17 0.618 -8.907 0.576
123 HG2 GLU 17 HG2 GLU 17 0.810 -9.343 -1.918
124 HG3 GLU 17 HG3 GLU 17 2.384 -8.527 -1.859
125 H ASN 18 H ASN 18 0.728 -5.225 1.248
126 HA ASN 18 HA ASN 18 -1.007 -6.035 3.327
127 HB2 ASN 18 HB2 ASN 18 0.975 -4.552 3.554
128 HB3 ASN 18 HB3 ASN 18 0.072 -3.265 2.742
129 HD21 ASN 18 HD21 ASN 18 -0.061 -5.447 5.619
130 HD22 ASN 18 HD22 ASN 18 -0.915 -4.286 6.623
131 H TYR 19 H TYR 19 -1.724 -4.177 0.452
132 HA TYR 19 HA TYR 19 -4.461 -3.463 1.396
133 HB2 TYR 19 HB2 TYR 19 -2.757 -2.602 -0.960
134 HB3 TYR 19 HB3 TYR 19 -4.477 -2.272 -0.888
135 HD1 TYR 19 HD2 TYR 19 -1.274 -1.653 0.935
136 HD2 TYR 19 HD1 TYR 19 -5.396 -0.522 0.429
137 HE1 TYR 19 HE2 TYR 19 -0.913 0.276 2.442
138 HE2 TYR 19 HE1 TYR 19 -5.046 1.427 1.936
139 HH TYR 19 HH TYR 19 -1.881 2.063 3.528
140 H CYS 20 HN CYS 20 -3.145 -6.231 0.176
141 HA CYS 20 HA CYS 20 -5.430 -6.796 -1.660
142 HB2 CYS 20 HB2 CYS 20 -2.783 -8.204 -1.250
143 HB3 CYS 20 HB3 CYS 20 -4.087 -8.762 -2.302
144 H ASN 21 H ASN 21 -7.009 -8.039 -1.104
145 HA ASN 21 HA ASN 21 -7.182 -10.252 0.629
146 HB2 ASN 21 HB2 ASN 21 -8.300 -9.121 2.614
147 HB3 ASN 21 HB3 ASN 21 -6.558 -8.973 2.532
148 HD21 ASN 21 HD21 ASN 21 -8.944 -6.999 0.726
149 HD22 ASN 21 HD22 ASN 21 -8.533 -5.491 1.562
150 H1 PHE 1 H1 PHE 1 17.816 -5.681 -1.660
151 H2 PHE 1 H2 PHE 1 18.917 -4.501 -1.906
152 H3 PHE 1 H3 PHE 1 19.145 -5.983 -2.575
153 HA PHE 1 HA PHE 1 18.434 -4.404 -4.227
154 HB2 PHE 1 HB2 PHE 1 16.681 -5.692 -5.238
155 HB3 PHE 1 HB3 PHE 1 17.806 -6.792 -4.484
156 HD1 PHE 1 HD2 PHE 1 14.369 -5.426 -4.399
157 HD2 PHE 1 HD1 PHE 1 17.132 -8.171 -2.528
158 HE1 PHE 1 HE2 PHE 1 12.487 -6.504 -3.192
159 HE2 PHE 1 HE1 PHE 1 15.245 -9.234 -1.322
160 HZ PHE 1 HZ PHE 1 12.927 -8.403 -1.644
161 H VAL 2 H VAL 2 16.393 -3.289 -5.137
162 HA VAL 2 HA VAL 2 14.480 -2.347 -3.091
163 HB VAL 2 HB VAL 2 14.539 -0.033 -3.925
164 HG11 VAL 2 HG11 VAL 2 16.445 0.739 -2.647
165 HG12 VAL 2 HG12 VAL 2 15.689 -0.636 -1.826
166 HG13 VAL 2 HG13 VAL 2 17.210 -0.857 -2.733
167 HG21 VAL 2 HG21 VAL 2 17.154 -0.770 -5.313
168 HG22 VAL 2 HG22 VAL 2 15.637 -0.329 -6.122
169 HG23 VAL 2 HG23 VAL 2 16.486 0.861 -5.130
170 H ASN 3 H ASN 3 12.495 -1.690 -3.891
171 HA ASN 3 HA ASN 3 11.709 -2.724 -6.523
172 HB2 ASN 3 HB2 ASN 3 10.367 -2.955 -4.381
173 HB3 ASN 3 HB3 ASN 3 10.096 -1.222 -4.438
174 HD21 ASN 3 HD21 ASN 3 7.800 -1.627 -4.547
175 HD22 ASN 3 HD22 ASN 3 7.054 -2.178 -6.045
176 H GLN 4 H GLN 4 10.038 -1.110 -7.664
177 HA GLN 4 HA GLN 4 11.457 1.467 -8.276
178 HB2 GLN 4 HB2 GLN 4 9.706 -0.451 -9.879
179 HB3 GLN 4 HB3 GLN 4 10.047 1.192 -10.425
180 HG2 GLN 4 HG2 GLN 4 11.586 -0.267 -11.538
181 HG3 GLN 4 HG3 GLN 4 12.482 0.722 -10.398
182 HE21 GLN 4 HE21 GLN 4 14.036 -0.442 -9.225
183 HE22 GLN 4 HE22 GLN 4 13.900 -2.154 -8.869
184 H HIS 5 H HIS 5 9.882 3.205 -9.120
185 HA HIS 5 HA HIS 5 7.631 3.616 -7.268
186 HB2 HIS 5 HB2 HIS 5 8.650 5.130 -9.714
187 HB3 HIS 5 HB3 HIS 5 7.169 5.541 -8.877
188 HD1 HIS 5 HD1 HIS 5 7.515 7.538 -7.319
189 HD2 HIS 5 HD2 HIS 5 10.899 5.055 -7.691
190 HE1 HIS 5 HE1 HIS 5 9.397 8.677 -6.037
191 H LEU 6 H LEU 6 5.497 3.303 -7.766
192 HA LEU 6 HA LEU 6 4.677 2.244 -10.438
193 HB2 LEU 6 HB2 LEU 6 4.096 1.051 -7.691
194 HB3 LEU 6 HB3 LEU 6 3.224 0.599 -9.150
195 HG LEU 6 HG LEU 6 6.236 0.248 -8.845
196 HD11 LEU 6 HD11 LEU 6 5.149 -1.036 -7.104
197 HD12 LEU 6 HD12 LEU 6 5.699 -2.139 -8.377
198 HD13 LEU 6 HD13 LEU 6 3.980 -1.700 -8.252
199 HD21 LEU 6 HD21 LEU 6 5.923 -1.386 -10.695
200 HD22 LEU 6 HD22 LEU 6 5.476 0.256 -11.184
201 HD23 LEU 6 HD23 LEU 6 4.207 -0.932 -10.800
202 H CYS 7 HN CYS 7 2.955 3.362 -11.174
203 HA CYS 7 HA CYS 7 1.037 4.576 -9.254
204 HB2 CYS 7 HB2 CYS 7 3.030 6.119 -9.869
205 HB3 CYS 7 HB3 CYS 7 2.275 6.251 -11.454
206 H GLY 8 H GLY 8 -0.992 5.089 -10.111
207 HA2 GLY 8 HA2 GLY 8 -2.857 4.834 -11.454
208 HA3 GLY 8 HA3 GLY 8 -1.751 5.191 -12.778
209 H SER 9 H SER 9 -2.105 3.829 -14.365
210 HA SER 9 HA SER 9 -3.277 1.242 -14.250
211 HB2 SER 9 HB2 SER 9 -2.367 1.075 -16.590
212 HB3 SER 9 HB3 SER 9 -3.339 2.517 -16.270
213 HG SER 9 HG SER 9 -1.381 2.992 -17.421
214 H HIS 10 H HIS 10 0.226 2.171 -14.183
215 HA HIS 10 HA HIS 10 1.119 -0.583 -14.309
216 HB2 HIS 10 HB2 HIS 10 2.474 2.028 -13.575
217 HB3 HIS 10 HB3 HIS 10 3.292 0.476 -13.572
218 HD1 HIS 10 HD1 HIS 10 2.566 -0.904 -16.198
219 HD2 HIS 10 HD2 HIS 10 3.064 3.269 -15.800
220 HE1 HIS 10 HE1 HIS 10 3.077 -0.009 -18.526
221 H LEU 11 H LEU 11 0.196 1.537 -11.609
222 HA LEU 11 HA LEU 11 1.133 -0.334 -9.561
223 HB2 LEU 11 HB2 LEU 11 0.876 2.057 -9.126
224 HB3 LEU 11 HB3 LEU 11 -0.847 1.979 -9.472
225 HG LEU 11 HG LEU 11 -1.233 0.631 -7.471
226 HD11 LEU 11 HD11 LEU 11 1.776 0.818 -6.986
227 HD12 LEU 11 HD12 LEU 11 0.848 -0.666 -7.304
228 HD13 LEU 11 HD13 LEU 11 0.574 0.244 -5.814
229 HD21 LEU 11 HD21 LEU 11 0.568 3.014 -6.847
230 HD22 LEU 11 HD22 LEU 11 -0.769 2.388 -5.859
231 HD23 LEU 11 HD23 LEU 11 -1.092 3.144 -7.438
232 H VAL 12 H VAL 12 -1.991 0.306 -11.145
233 HA VAL 12 HA VAL 12 -3.522 -1.767 -9.898
234 HB VAL 12 HB VAL 12 -3.686 -0.402 -12.602
235 HG11 VAL 12 HG11 VAL 12 -5.951 -1.446 -12.900
236 HG12 VAL 12 HG12 VAL 12 -4.610 -2.568 -13.108
237 HG13 VAL 12 HG13 VAL 12 -5.545 -2.586 -11.602
238 HG21 VAL 12 HG21 VAL 12 -4.322 0.887 -10.596
239 HG22 VAL 12 HG22 VAL 12 -5.717 0.596 -11.641
240 HG23 VAL 12 HG23 VAL 12 -5.505 -0.358 -10.157
241 H GLU 13 H GLU 13 -1.549 -1.885 -12.917
242 HA GLU 13 HA GLU 13 -1.764 -4.632 -13.507
243 HB2 GLU 13 HB2 GLU 13 -0.886 -2.960 -15.019
244 HB3 GLU 13 HB3 GLU 13 0.433 -2.586 -13.909
245 HG2 GLU 13 HG2 GLU 13 1.470 -4.759 -14.326
246 HG3 GLU 13 HG3 GLU 13 0.104 -5.235 -15.350
247 H ALA 14 H ALA 14 0.732 -2.967 -11.444
248 HA ALA 14 HA ALA 14 2.139 -5.339 -10.750
249 HB1 ALA 14 HB1 ALA 14 3.095 -3.947 -8.951
250 HB2 ALA 14 HB2 ALA 14 3.063 -3.075 -10.489
251 HB3 ALA 14 HB3 ALA 14 1.860 -2.705 -9.232
252 H LEU 15 H LEU 15 -0.602 -3.706 -9.053
253 HA LEU 15 HA LEU 15 -0.701 -5.544 -6.855
254 HB2 LEU 15 HB2 LEU 15 -2.776 -3.747 -8.163
255 HB3 LEU 15 HB3 LEU 15 -3.130 -4.725 -6.739
256 HG LEU 15 HG LEU 15 -0.810 -2.765 -6.738
257 HD11 LEU 15 HD11 LEU 15 -2.267 -1.108 -5.688
258 HD12 LEU 15 HD12 LEU 15 -3.667 -2.183 -5.855
259 HD13 LEU 15 HD13 LEU 15 -2.881 -1.512 -7.301
260 HD21 LEU 15 HD21 LEU 15 -1.111 -2.837 -4.301
261 HD22 LEU 15 HD22 LEU 15 -0.874 -4.479 -4.922
262 HD23 LEU 15 HD23 LEU 15 -2.499 -3.928 -4.477
263 H TYR 16 H TYR 16 -2.336 -5.707 -10.063
264 HA TYR 16 HA TYR 16 -3.673 -8.198 -9.541
265 HB2 TYR 16 HB2 TYR 16 -2.784 -6.771 -12.062
266 HB3 TYR 16 HB3 TYR 16 -3.402 -8.410 -12.152
267 HD1 TYR 16 HD1 TYR 16 -5.671 -8.738 -10.593
268 HD2 TYR 16 HD2 TYR 16 -4.415 -5.200 -12.708
269 HE1 TYR 16 HE1 TYR 16 -8.034 -8.002 -10.753
270 HE2 TYR 16 HE2 TYR 16 -6.780 -4.469 -12.897
271 HH TYR 16 HH TYR 16 -8.980 -4.952 -12.406
272 H LEU 17 H LEU 17 -0.427 -7.550 -10.963
273 HA LEU 17 HA LEU 17 0.230 -10.322 -11.379
274 HB2 LEU 17 HB2 LEU 17 1.910 -7.794 -11.111
275 HB3 LEU 17 HB3 LEU 17 2.618 -9.355 -11.491
276 HG LEU 17 HG LEU 17 0.466 -8.053 -13.216
277 HD11 LEU 17 HD11 LEU 17 3.496 -8.081 -13.577
278 HD12 LEU 17 HD12 LEU 17 2.521 -6.667 -13.132
279 HD13 LEU 17 HD13 LEU 17 2.305 -7.418 -14.721
280 HD21 LEU 17 HD21 LEU 17 2.353 -10.393 -13.734
281 HD22 LEU 17 HD22 LEU 17 1.281 -9.653 -14.934
282 HD23 LEU 17 HD23 LEU 17 0.586 -10.481 -13.537
283 H VAL 18 H VAL 18 1.001 -8.162 -8.645
284 HA VAL 18 HA VAL 18 2.573 -10.137 -7.244
285 HB VAL 18 HB VAL 18 1.327 -7.505 -6.371
286 HG11 VAL 18 HG11 VAL 18 2.814 -7.592 -4.371
287 HG12 VAL 18 HG12 VAL 18 1.531 -8.808 -4.312
288 HG13 VAL 18 HG13 VAL 18 3.187 -9.288 -4.743
289 HG21 VAL 18 HG21 VAL 18 3.643 -6.700 -6.472
290 HG22 VAL 18 HG22 VAL 18 4.239 -8.337 -6.845
291 HG23 VAL 18 HG23 VAL 18 3.252 -7.455 -8.020
292 H CYS 19 HN CYS 19 -0.860 -9.063 -6.837
293 HA CYS 19 HA CYS 19 -1.168 -10.963 -4.582
294 HB2 CYS 19 HB2 CYS 19 -3.024 -8.838 -5.699
295 HB3 CYS 19 HB3 CYS 19 -3.224 -9.729 -4.193
296 H GLY 20 H GLY 20 -2.102 -10.917 -7.959
297 HA2 GLY 20 HA2 GLY 20 -3.299 -12.445 -9.224
298 HA3 GLY 20 HA3 GLY 20 -3.089 -13.577 -7.874
299 H GLU 21 H GLU 21 -4.990 -14.489 -7.586
300 HA GLU 21 HA GLU 21 -7.507 -13.301 -8.126
301 HB2 GLU 21 HB2 GLU 21 -8.452 -15.352 -7.390
302 HB3 GLU 21 HB3 GLU 21 -6.999 -15.707 -8.300
303 HG2 GLU 21 HG2 GLU 21 -7.258 -15.756 -5.257
304 HG3 GLU 21 HG3 GLU 21 -7.340 -17.155 -6.310
305 H ARG 22 H ARG 22 -5.608 -12.861 -5.300
306 HA ARG 22 HA ARG 22 -7.600 -12.648 -3.258
307 HB2 ARG 22 HB2 ARG 22 -4.938 -11.232 -3.685
308 HB3 ARG 22 HB3 ARG 22 -5.920 -11.001 -2.240
309 HG2 ARG 22 HG2 ARG 22 -5.690 -13.261 -1.536
310 HG3 ARG 22 HG3 ARG 22 -5.095 -13.789 -3.108
311 HD2 ARG 22 HD2 ARG 22 -3.280 -13.735 -1.515
312 HD3 ARG 22 HD3 ARG 22 -3.014 -12.563 -2.813
313 HE ARG 22 HE ARG 22 -4.275 -11.288 -0.560
314 HH11 ARG 22 HH11 ARG 22 -1.157 -12.631 -1.489
315 HH12 ARG 22 HH12 ARG 22 -0.237 -11.566 -0.469
316 HH21 ARG 22 HH21 ARG 22 -3.073 -9.849 0.719
317 HH22 ARG 22 HH22 ARG 22 -1.347 -10.025 0.802
318 H GLY 23 H GLY 23 -6.579 -10.337 -5.768
319 HA2 GLY 23 HA2 GLY 23 -7.504 -8.300 -6.455
320 HA3 GLY 23 HA3 GLY 23 -8.856 -8.543 -5.338
321 H PHE 24 H PHE 24 -7.766 -6.053 -5.671
322 HA PHE 24 HA PHE 24 -6.327 -5.501 -3.114
323 HB2 PHE 24 HB2 PHE 24 -5.085 -3.771 -4.353
324 HB3 PHE 24 HB3 PHE 24 -4.788 -5.399 -4.944
325 HD1 PHE 24 HD2 PHE 24 -6.368 -2.152 -5.764
326 HD2 PHE 24 HD1 PHE 24 -5.452 -6.129 -7.161
327 HE1 PHE 24 HE2 PHE 24 -6.978 -1.488 -8.091
328 HE2 PHE 24 HE1 PHE 24 -6.048 -5.452 -9.465
329 HZ PHE 24 HZ PHE 24 -6.859 -3.149 -9.924
330 H PHE 25 H PHE 25 -6.751 -3.665 -2.024
331 HA PHE 25 HA PHE 25 -9.229 -2.143 -2.659
332 HB2 PHE 25 HB2 PHE 25 -9.047 -3.155 -0.439
333 HB3 PHE 25 HB3 PHE 25 -7.496 -2.376 -0.165
334 HD1 PHE 25 HD1 PHE 25 -10.938 -1.265 -1.308
335 HD2 PHE 25 HD2 PHE 25 -7.636 -0.632 1.393
336 HE1 PHE 25 HE1 PHE 25 -12.132 0.660 -0.297
337 HE2 PHE 25 HE2 PHE 25 -8.844 1.279 2.418
338 HZ PHE 25 HZ PHE 25 -11.085 1.941 1.564
339 H TYR 26 H TYR 26 -8.523 -0.819 -4.340
340 HA TYR 26 HA TYR 26 -6.017 0.597 -4.261
341 HB2 TYR 26 HB2 TYR 26 -7.442 -0.107 -6.291
342 HB3 TYR 26 HB3 TYR 26 -8.388 1.336 -6.001
343 HD1 TYR 26 HD1 TYR 26 -5.064 -0.009 -6.945
344 HD2 TYR 26 HD2 TYR 26 -7.445 3.560 -6.493
345 HE1 TYR 26 HE1 TYR 26 -3.397 1.272 -8.267
346 HE2 TYR 26 HE2 TYR 26 -5.774 4.838 -7.827
347 HH TYR 26 HH TYR 26 -2.863 3.282 -9.235
348 H THR 27 H THR 27 -5.488 2.494 -3.355
349 HA THR 27 HA THR 27 -7.593 4.352 -2.337
350 HB THR 27 HB THR 27 -6.082 4.574 -0.288
351 HG1 THR 27 HG1 THR 27 -5.544 1.866 -0.876
352 HG21 THR 27 HG21 THR 27 -7.275 2.781 0.868
353 HG22 THR 27 HG22 THR 27 -7.743 2.055 -0.686
354 HG23 THR 27 HG23 THR 27 -8.363 3.654 -0.224
355 HA PRO 28 HA PRO 28 -4.625 6.814 -4.649
356 HB2 PRO 28 HB2 PRO 28 -6.186 8.902 -5.336
357 HB3 PRO 28 HB3 PRO 28 -6.476 7.262 -5.981
358 HG2 PRO 28 HG2 PRO 28 -7.827 8.560 -3.585
359 HG3 PRO 28 HG3 PRO 28 -8.610 7.787 -5.003
360 HD2 PRO 28 HD2 PRO 28 -8.174 6.438 -2.687
361 HD3 PRO 28 HD3 PRO 28 -7.998 5.628 -4.271
362 H LYS 29 H LYS 29 -3.739 9.061 -4.672
363 HA LYS 29 HA LYS 29 -2.845 9.949 -2.108
364 HB2 LYS 29 HB2 LYS 29 -2.817 11.167 -4.907
365 HB3 LYS 29 HB3 LYS 29 -2.071 11.975 -3.528
366 HG2 LYS 29 HG2 LYS 29 -0.501 10.229 -3.174
367 HG3 LYS 29 HG3 LYS 29 -1.347 9.128 -4.261
368 HD2 LYS 29 HD2 LYS 29 0.648 9.901 -5.366
369 HD3 LYS 29 HD3 LYS 29 -0.766 10.555 -6.191
370 HE2 LYS 29 HE2 LYS 29 0.874 12.282 -6.098
371 HE3 LYS 29 HE3 LYS 29 -0.434 12.743 -5.012
372 HZ1 LYS 29 HZ1 LYS 29 0.953 12.031 -3.144
373 HZ2 LYS 29 HZ2 LYS 29 1.803 13.084 -4.049
374 HZ3 LYS 29 HZ3 LYS 29 2.131 11.483 -4.141
375 H THR 30 H THR 30 -5.706 10.811 -3.869
376 HA THR 30 HA THR 30 -6.363 13.142 -2.159
377 HB THR 30 HB THR 30 -6.725 13.021 -4.667
378 HG1 THR 30 HG1 THR 30 -8.576 14.256 -4.443
379 HG21 THR 30 HG21 THR 30 -7.822 10.792 -4.808
380 HG22 THR 30 HG22 THR 30 -8.822 12.078 -5.485
381 HG23 THR 30 HG23 THR 30 -9.208 11.422 -3.888
382 H LYS 31 H LYS 31 -6.542 9.894 -1.727
383 HA LYS 31 HA LYS 31 -7.369 8.565 -0.147
384 HB2 LYS 31 HB2 LYS 31 -7.262 10.626 1.308
385 HB3 LYS 31 HB3 LYS 31 -8.978 10.884 0.985
386 HG2 LYS 31 HG2 LYS 31 -9.520 8.672 1.949
387 HG3 LYS 31 HG3 LYS 31 -7.795 8.380 2.262
388 HD2 LYS 31 HD2 LYS 31 -7.731 10.352 3.763
389 HD3 LYS 31 HD3 LYS 31 -9.450 10.669 3.434
390 HE2 LYS 31 HE2 LYS 31 -10.034 8.429 4.362
391 HE3 LYS 31 HE3 LYS 31 -8.323 8.122 4.696
392 HZ1 LYS 31 HZ1 LYS 31 -9.489 8.930 6.667
393 HZ2 LYS 31 HZ2 LYS 31 -9.935 10.298 5.905
394 HZ3 LYS 31 HZ3 LYS 31 -8.354 10.022 6.223
395 H ARG 32 H ARG 32 -9.998 10.636 -1.368
396 HA ARG 32 HA ARG 32 -11.441 8.439 -2.588
397 HB2 ARG 32 HB2 ARG 32 -12.062 8.105 -0.180
398 HB3 ARG 32 HB3 ARG 32 -12.728 9.741 -0.147
399 HG2 ARG 32 HG2 ARG 32 -14.399 9.104 -1.868
400 HG3 ARG 32 HG3 ARG 32 -13.653 7.507 -2.012
401 HD2 ARG 32 HD2 ARG 32 -15.633 7.297 -0.638
402 HD3 ARG 32 HD3 ARG 32 -14.215 7.025 0.357
403 HE ARG 32 HE ARG 32 -14.668 8.954 1.584
404 HH11 ARG 32 HH12 ARG 32 -16.868 8.910 -1.148
405 HH12 ARG 32 HH11 ARG 32 -17.829 10.213 -0.509
406 HH21 ARG 32 HH21 ARG 32 -15.911 10.624 2.320
407 HH22 ARG 32 HH22 ARG 32 -17.293 11.157 1.405
Start of MODEL 45
1 H1 GLY 1 1H GLY 1 -1.912 5.057 5.614
2 H2 GLY 1 2H GLY 1 -0.571 5.333 4.704
3 H3 GLY 1 3H GLY 1 -0.689 3.958 5.609
4 HA2 GLY 1 HA2 GLY 1 -2.537 3.195 4.242
5 HA3 GLY 1 HA3 GLY 1 -2.349 4.669 3.272
6 H ILE 2 H ILE 2 -1.071 4.504 1.522
7 HA ILE 2 HA ILE 2 1.286 2.965 1.274
8 HB ILE 2 HB ILE 2 -0.094 0.967 1.439
9 HG12 ILE 2 HG12 ILE 2 0.934 1.296 -1.399
10 HG13 ILE 2 HG13 ILE 2 1.964 1.061 0.020
11 HG21 ILE 2 HG21 ILE 2 -1.778 0.315 -0.158
12 HG22 ILE 2 HG22 ILE 2 -2.236 1.885 0.492
13 HG23 ILE 2 HG23 ILE 2 -1.516 1.757 -1.136
14 HD11 ILE 2 HD11 ILE 2 0.743 -1.115 0.438
15 HD12 ILE 2 HD12 ILE 2 -0.051 -0.901 -1.140
16 HD13 ILE 2 HD13 ILE 2 1.707 -1.057 -1.048
17 H VAL 3 H VAL 3 -1.497 4.057 -0.674
18 HA VAL 3 HA VAL 3 -0.140 4.458 -3.115
19 HB VAL 3 HB VAL 3 -2.416 6.144 -1.992
20 HG11 VAL 3 HG11 VAL 3 -1.533 5.706 -4.879
21 HG12 VAL 3 HG12 VAL 3 -3.019 6.538 -4.381
22 HG13 VAL 3 HG13 VAL 3 -1.459 7.229 -3.965
23 HG21 VAL 3 HG21 VAL 3 -2.798 3.771 -3.829
24 HG22 VAL 3 HG22 VAL 3 -2.806 3.596 -2.075
25 HG23 VAL 3 HG23 VAL 3 -3.975 4.655 -2.838
26 H GLU 4 H GLU 4 -0.638 6.708 -0.399
27 HA GLU 4 HA GLU 4 0.762 8.935 -1.503
28 HB2 GLU 4 HB2 GLU 4 0.401 9.961 0.559
29 HB3 GLU 4 HB3 GLU 4 -1.020 8.987 0.249
30 HG2 GLU 4 HG2 GLU 4 1.232 8.344 2.190
31 HG3 GLU 4 HG3 GLU 4 -0.356 8.983 2.593
32 H GLN 5 H GLN 5 2.042 5.997 -0.344
33 HA GLN 5 HA GLN 5 4.743 7.186 0.164
34 HB2 GLN 5 HB2 GLN 5 3.804 4.295 0.434
35 HB3 GLN 5 HB3 GLN 5 5.395 4.925 0.823
36 HG2 GLN 5 HG2 GLN 5 2.793 5.626 2.249
37 HG3 GLN 5 HG3 GLN 5 4.052 4.544 2.829
38 HE21 GLN 5 HE21 GLN 5 6.356 5.623 3.036
39 HE22 GLN 5 HE22 GLN 5 6.336 7.275 3.634
40 H CYS 6 HN CYS 6 3.103 4.641 -1.817
41 HA CYS 6 HA CYS 6 5.299 4.030 -3.475
42 HB2 CYS 6 HB2 CYS 6 2.306 3.870 -3.997
43 HB3 CYS 6 HB3 CYS 6 3.538 3.117 -4.999
44 H CYS 7 HN CYS 7 2.831 6.590 -4.008
45 HA CYS 7 HA CYS 7 3.830 7.273 -6.662
46 HB2 CYS 7 HB2 CYS 7 2.193 8.876 -4.668
47 HB3 CYS 7 HB3 CYS 7 2.475 9.331 -6.347
48 H THR 8 H THR 8 4.350 8.589 -3.405
49 HA THR 8 HA THR 8 5.956 10.840 -4.187
50 HB THR 8 HB THR 8 5.594 9.583 -1.441
51 HG1 THR 8 HG1 THR 8 3.667 10.371 -1.434
52 HG21 THR 8 HG21 THR 8 6.162 12.455 -2.315
53 HG22 THR 8 HG22 THR 8 7.256 11.389 -1.411
54 HG23 THR 8 HG23 THR 8 5.763 11.948 -0.658
55 H SER 9 H SER 9 6.754 7.591 -3.044
56 HA SER 9 HA SER 9 9.634 7.986 -3.591
57 HB2 SER 9 HB2 SER 9 9.139 8.682 -1.206
58 HB3 SER 9 HB3 SER 9 8.649 7.007 -0.894
59 HG SER 9 HG SER 9 10.898 7.502 -0.390
60 H ILE 10 H ILE 10 10.526 5.653 -2.509
61 HA ILE 10 HA ILE 10 9.368 3.593 -4.310
62 HB ILE 10 HB ILE 10 11.848 3.664 -2.547
63 HG12 ILE 10 HG12 ILE 10 11.411 3.679 -5.570
64 HG13 ILE 10 HG13 ILE 10 11.929 5.043 -4.591
65 HG21 ILE 10 HG21 ILE 10 10.812 1.389 -4.275
66 HG22 ILE 10 HG22 ILE 10 12.440 1.462 -3.564
67 HG23 ILE 10 HG23 ILE 10 11.039 1.364 -2.518
68 HD11 ILE 10 HD11 ILE 10 13.535 2.542 -5.209
69 HD12 ILE 10 HD12 ILE 10 13.854 4.203 -5.712
70 HD13 ILE 10 HD13 ILE 10 14.024 3.762 -4.000
71 H CYS 11 HN CYS 11 8.167 1.865 -3.710
72 HA CYS 11 HA CYS 11 7.811 1.293 -0.802
73 HB2 CYS 11 HB2 CYS 11 5.489 1.064 -0.975
74 HB3 CYS 11 HB3 CYS 11 5.886 2.609 -1.694
75 H SER 12 H SER 12 6.928 -0.875 -0.368
76 HA SER 12 HA SER 12 8.593 -2.764 -1.963
77 HB2 SER 12 HB2 SER 12 9.177 -2.378 0.387
78 HB3 SER 12 HB3 SER 12 7.567 -2.925 0.892
79 HG SER 12 HG SER 12 9.330 -4.547 0.937
80 H LEU 13 H LEU 13 8.001 -4.920 -2.326
81 HA LEU 13 HA LEU 13 5.296 -5.404 -3.218
82 HB2 LEU 13 HB2 LEU 13 7.493 -7.439 -2.643
83 HB3 LEU 13 HB3 LEU 13 6.106 -7.628 -3.712
84 HG LEU 13 HG LEU 13 8.530 -5.824 -4.148
85 HD11 LEU 13 HD11 LEU 13 7.492 -8.237 -5.691
86 HD12 LEU 13 HD12 LEU 13 8.857 -8.244 -4.555
87 HD13 LEU 13 HD13 LEU 13 8.962 -7.298 -6.049
88 HD21 LEU 13 HD21 LEU 13 6.074 -6.131 -5.930
89 HD22 LEU 13 HD22 LEU 13 7.565 -5.263 -6.344
90 HD23 LEU 13 HD23 LEU 13 6.540 -4.659 -5.043
91 H TYR 14 H TYR 14 7.003 -6.033 -0.178
92 HA TYR 14 HA TYR 14 5.030 -7.705 1.064
93 HB2 TYR 14 HB2 TYR 14 7.277 -7.433 1.967
94 HB3 TYR 14 HB3 TYR 14 7.032 -5.703 2.166
95 HD1 TYR 14 HD1 TYR 14 5.796 -9.037 3.359
96 HD2 TYR 14 HD2 TYR 14 6.104 -4.810 4.164
97 HE1 TYR 14 HE1 TYR 14 4.872 -9.403 5.640
98 HE2 TYR 14 HE2 TYR 14 5.174 -5.172 6.442
99 HH TYR 14 HH TYR 14 4.365 -6.702 7.955
100 H GLN 15 H GLN 15 5.154 -4.197 0.575
101 HA GLN 15 HA GLN 15 2.918 -3.608 2.395
102 HB2 GLN 15 HB2 GLN 15 4.245 -1.924 0.226
103 HB3 GLN 15 HB3 GLN 15 3.018 -1.355 1.335
104 HG2 GLN 15 HG2 GLN 15 4.474 -1.750 3.265
105 HG3 GLN 15 HG3 GLN 15 5.729 -2.423 2.223
106 HE21 GLN 15 HE21 GLN 15 4.176 0.606 3.266
107 HE22 GLN 15 HE22 GLN 15 5.332 1.636 2.438
108 H LEU 16 H LEU 16 3.371 -3.957 -1.163
109 HA LEU 16 HA LEU 16 0.641 -3.636 -1.894
110 HB2 LEU 16 HB2 LEU 16 2.757 -5.440 -3.143
111 HB3 LEU 16 HB3 LEU 16 1.241 -4.995 -3.905
112 HG LEU 16 HG LEU 16 3.483 -3.054 -3.181
113 HD11 LEU 16 HD11 LEU 16 4.074 -4.591 -5.006
114 HD12 LEU 16 HD12 LEU 16 3.872 -2.936 -5.588
115 HD13 LEU 16 HD13 LEU 16 2.592 -4.133 -5.887
116 HD21 LEU 16 HD21 LEU 16 0.934 -2.573 -4.794
117 HD22 LEU 16 HD22 LEU 16 2.255 -1.412 -4.542
118 HD23 LEU 16 HD23 LEU 16 1.263 -1.919 -3.177
119 H GLU 17 H GLU 17 2.317 -6.726 -1.033
120 HA GLU 17 HA GLU 17 -0.025 -8.340 -1.247
121 HB2 GLU 17 HB2 GLU 17 2.515 -8.696 0.392
122 HB3 GLU 17 HB3 GLU 17 1.224 -9.901 0.311
123 HG2 GLU 17 HG2 GLU 17 1.469 -9.950 -2.188
124 HG3 GLU 17 HG3 GLU 17 2.876 -8.905 -2.034
125 H ASN 18 H ASN 18 0.995 -6.230 1.416
126 HA ASN 18 HA ASN 18 -0.858 -7.389 3.346
127 HB2 ASN 18 HB2 ASN 18 1.308 -6.423 3.995
128 HB3 ASN 18 HB3 ASN 18 0.783 -4.844 3.395
129 HD21 ASN 18 HD21 ASN 18 -0.043 -7.419 5.802
130 HD22 ASN 18 HD22 ASN 18 -0.775 -6.304 6.939
131 H TYR 19 H TYR 19 -0.828 -4.469 1.260
132 HA TYR 19 HA TYR 19 -3.436 -3.552 2.258
133 HB2 TYR 19 HB2 TYR 19 -1.319 -2.491 0.413
134 HB3 TYR 19 HB3 TYR 19 -2.948 -1.848 0.284
135 HD1 TYR 19 HD1 TYR 19 -0.062 -2.220 2.619
136 HD2 TYR 19 HD2 TYR 19 -4.002 -0.577 2.036
137 HE1 TYR 19 HE1 TYR 19 0.163 -0.918 4.728
138 HE2 TYR 19 HE2 TYR 19 -3.791 0.719 4.139
139 HH TYR 19 HH TYR 19 -2.500 1.157 5.984
140 H CYS 20 HN CYS 20 -2.594 -5.822 -0.039
141 HA CYS 20 HA CYS 20 -4.910 -5.600 -1.790
142 HB2 CYS 20 HB2 CYS 20 -2.761 -6.769 -2.290
143 HB3 CYS 20 HB3 CYS 20 -3.160 -7.953 -1.043
144 H ASN 21 H ASN 21 -6.410 -7.674 -1.829
145 HA ASN 21 HA ASN 21 -8.208 -7.389 0.390
146 HB2 ASN 21 HB2 ASN 21 -8.788 -7.865 -2.045
147 HB3 ASN 21 HB3 ASN 21 -8.205 -9.513 -1.808
148 HD21 ASN 21 HD21 ASN 21 -10.631 -7.131 -0.822
149 HD22 ASN 21 HD22 ASN 21 -11.806 -8.312 -0.248
150 H1 PHE 1 H1 PHE 1 14.803 -4.278 -11.089
151 H2 PHE 1 H2 PHE 1 15.419 -3.566 -9.751
152 H3 PHE 1 H3 PHE 1 16.006 -5.016 -10.255
153 HA PHE 1 HA PHE 1 13.908 -6.088 -9.834
154 HB2 PHE 1 HB2 PHE 1 15.660 -6.053 -8.069
155 HB3 PHE 1 HB3 PHE 1 14.966 -4.563 -7.421
156 HD1 PHE 1 HD1 PHE 1 13.642 -7.985 -8.484
157 HD2 PHE 1 HD2 PHE 1 13.802 -4.922 -5.425
158 HE1 PHE 1 HE1 PHE 1 12.057 -9.284 -7.100
159 HE2 PHE 1 HE2 PHE 1 12.273 -6.265 -4.020
160 HZ PHE 1 HZ PHE 1 11.375 -8.438 -4.863
161 H VAL 2 H VAL 2 11.796 -5.872 -8.483
162 HA VAL 2 HA VAL 2 10.319 -3.791 -9.864
163 HB VAL 2 HB VAL 2 9.244 -5.856 -7.919
164 HG11 VAL 2 HG11 VAL 2 7.131 -5.638 -9.263
165 HG12 VAL 2 HG12 VAL 2 7.526 -4.147 -8.420
166 HG13 VAL 2 HG13 VAL 2 7.850 -4.287 -10.157
167 HG21 VAL 2 HG21 VAL 2 9.634 -6.061 -10.945
168 HG22 VAL 2 HG22 VAL 2 10.454 -7.039 -9.705
169 HG23 VAL 2 HG23 VAL 2 8.718 -7.217 -9.950
170 H ASN 3 H ASN 3 11.562 -4.028 -6.608
171 HA ASN 3 HA ASN 3 9.820 -2.287 -5.173
172 HB2 ASN 3 HB2 ASN 3 11.431 -3.815 -4.163
173 HB3 ASN 3 HB3 ASN 3 12.782 -2.938 -4.898
174 HD21 ASN 3 HD21 ASN 3 13.684 -1.214 -3.769
175 HD22 ASN 3 HD22 ASN 3 13.009 -0.631 -2.255
176 H GLN 4 H GLN 4 9.235 -0.425 -6.243
177 HA GLN 4 HA GLN 4 11.186 1.724 -6.830
178 HB2 GLN 4 HB2 GLN 4 9.394 0.380 -8.920
179 HB3 GLN 4 HB3 GLN 4 10.253 1.904 -9.162
180 HG2 GLN 4 HG2 GLN 4 12.434 0.697 -8.832
181 HG3 GLN 4 HG3 GLN 4 11.525 -0.811 -8.787
182 HE21 GLN 4 HE21 GLN 4 12.219 -1.795 -10.695
183 HE22 GLN 4 HE22 GLN 4 11.977 -1.055 -12.279
184 H HIS 5 H HIS 5 9.548 3.449 -8.190
185 HA HIS 5 HA HIS 5 7.380 4.174 -6.322
186 HB2 HIS 5 HB2 HIS 5 8.354 5.333 -8.972
187 HB3 HIS 5 HB3 HIS 5 6.952 5.933 -8.108
188 HD1 HIS 5 HD1 HIS 5 7.454 8.025 -6.751
189 HD2 HIS 5 HD2 HIS 5 10.763 5.465 -7.224
190 HE1 HIS 5 HE1 HIS 5 9.456 9.243 -5.765
191 H LEU 6 H LEU 6 5.213 4.057 -6.852
192 HA LEU 6 HA LEU 6 4.226 3.003 -9.434
193 HB2 LEU 6 HB2 LEU 6 3.790 1.691 -6.715
194 HB3 LEU 6 HB3 LEU 6 2.684 1.447 -8.062
195 HG LEU 6 HG LEU 6 5.633 0.694 -8.161
196 HD11 LEU 6 HD11 LEU 6 4.822 -1.624 -7.791
197 HD12 LEU 6 HD12 LEU 6 3.186 -0.992 -7.493
198 HD13 LEU 6 HD13 LEU 6 4.520 -0.568 -6.404
199 HD21 LEU 6 HD21 LEU 6 4.614 1.018 -10.394
200 HD22 LEU 6 HD22 LEU 6 3.255 -0.039 -9.940
201 HD23 LEU 6 HD23 LEU 6 4.894 -0.703 -10.092
202 H CYS 7 HN CYS 7 2.363 4.130 -9.984
203 HA CYS 7 HA CYS 7 0.703 5.274 -7.815
204 HB2 CYS 7 HB2 CYS 7 2.603 6.861 -8.623
205 HB3 CYS 7 HB3 CYS 7 1.620 7.059 -10.071
206 H GLY 8 H GLY 8 -1.405 5.819 -8.367
207 HA2 GLY 8 HA2 GLY 8 -3.436 5.686 -9.464
208 HA3 GLY 8 HA3 GLY 8 -2.500 6.097 -10.904
209 H SER 9 H SER 9 -3.149 4.865 -12.500
210 HA SER 9 HA SER 9 -4.299 2.260 -12.387
211 HB2 SER 9 HB2 SER 9 -3.663 2.234 -14.836
212 HB3 SER 9 HB3 SER 9 -4.625 3.628 -14.312
213 HG SER 9 HG SER 9 -2.837 4.245 -15.657
214 H HIS 10 H HIS 10 -0.866 3.239 -12.882
215 HA HIS 10 HA HIS 10 0.076 0.551 -13.296
216 HB2 HIS 10 HB2 HIS 10 1.199 2.776 -13.893
217 HB3 HIS 10 HB3 HIS 10 1.708 2.869 -12.209
218 HD1 HIS 10 HD1 HIS 10 2.392 -0.438 -12.152
219 HD2 HIS 10 HD2 HIS 10 3.660 2.543 -14.834
220 HE1 HIS 10 HE1 HIS 10 4.554 -1.298 -13.211
221 H LEU 11 H LEU 11 -0.399 2.428 -10.306
222 HA LEU 11 HA LEU 11 0.743 0.385 -8.575
223 HB2 LEU 11 HB2 LEU 11 0.514 2.700 -7.819
224 HB3 LEU 11 HB3 LEU 11 -1.236 2.635 -8.015
225 HG LEU 11 HG LEU 11 -1.383 0.947 -6.196
226 HD11 LEU 11 HD11 LEU 11 1.615 1.409 -5.839
227 HD12 LEU 11 HD12 LEU 11 0.867 -0.112 -6.371
228 HD13 LEU 11 HD13 LEU 11 0.554 0.503 -4.745
229 HD21 LEU 11 HD21 LEU 11 -0.819 2.512 -4.369
230 HD22 LEU 11 HD22 LEU 11 -1.574 3.360 -5.739
231 HD23 LEU 11 HD23 LEU 11 0.183 3.469 -5.477
232 H VAL 12 H VAL 12 -2.603 1.065 -9.681
233 HA VAL 12 HA VAL 12 -3.817 -1.067 -8.197
234 HB VAL 12 HB VAL 12 -4.677 0.323 -10.758
235 HG11 VAL 12 HG11 VAL 12 -6.234 -1.722 -9.115
236 HG12 VAL 12 HG12 VAL 12 -6.957 -0.639 -10.328
237 HG13 VAL 12 HG13 VAL 12 -5.786 -1.852 -10.832
238 HG21 VAL 12 HG21 VAL 12 -6.300 1.431 -9.273
239 HG22 VAL 12 HG22 VAL 12 -5.718 0.475 -7.890
240 HG23 VAL 12 HG23 VAL 12 -4.663 1.681 -8.653
241 H GLU 13 H GLU 13 -2.489 -1.051 -11.548
242 HA GLU 13 HA GLU 13 -2.973 -3.795 -12.143
243 HB2 GLU 13 HB2 GLU 13 -0.818 -1.857 -13.055
244 HB3 GLU 13 HB3 GLU 13 -0.971 -3.484 -13.703
245 HG2 GLU 13 HG2 GLU 13 -3.179 -1.390 -13.837
246 HG3 GLU 13 HG3 GLU 13 -2.013 -1.694 -15.111
247 H ALA 14 H ALA 14 -0.050 -2.238 -10.681
248 HA ALA 14 HA ALA 14 1.431 -4.684 -10.450
249 HB1 ALA 14 HB1 ALA 14 2.507 -2.478 -10.465
250 HB2 ALA 14 HB2 ALA 14 1.663 -2.033 -8.964
251 HB3 ALA 14 HB3 ALA 14 2.890 -3.321 -8.952
252 H LEU 15 H LEU 15 -0.628 -2.929 -8.103
253 HA LEU 15 HA LEU 15 -0.220 -4.536 -5.827
254 HB2 LEU 15 HB2 LEU 15 -1.335 -2.341 -5.852
255 HB3 LEU 15 HB3 LEU 15 -2.651 -2.989 -6.826
256 HG LEU 15 HG LEU 15 -3.369 -4.412 -4.937
257 HD11 LEU 15 HD11 LEU 15 -1.234 -4.752 -3.779
258 HD12 LEU 15 HD12 LEU 15 -2.411 -4.026 -2.682
259 HD13 LEU 15 HD13 LEU 15 -1.139 -3.017 -3.397
260 HD21 LEU 15 HD21 LEU 15 -3.003 -1.474 -4.175
261 HD22 LEU 15 HD22 LEU 15 -4.237 -2.581 -3.539
262 HD23 LEU 15 HD23 LEU 15 -4.270 -2.102 -5.245
263 H TYR 16 H TYR 16 -2.642 -5.014 -8.489
264 HA TYR 16 HA TYR 16 -3.593 -7.447 -7.190
265 HB2 TYR 16 HB2 TYR 16 -5.270 -7.449 -8.601
266 HB3 TYR 16 HB3 TYR 16 -4.769 -5.816 -8.973
267 HD1 TYR 16 HD1 TYR 16 -4.468 -9.388 -10.107
268 HD2 TYR 16 HD2 TYR 16 -4.264 -5.227 -11.201
269 HE1 TYR 16 HE1 TYR 16 -4.283 -10.034 -12.500
270 HE2 TYR 16 HE2 TYR 16 -4.085 -5.868 -13.600
271 HH TYR 16 HH TYR 16 -4.002 -7.591 -15.117
272 H LEU 17 H LEU 17 -1.269 -6.831 -9.862
273 HA LEU 17 HA LEU 17 -0.841 -9.600 -10.487
274 HB2 LEU 17 HB2 LEU 17 0.841 -7.093 -10.875
275 HB3 LEU 17 HB3 LEU 17 1.347 -8.665 -11.477
276 HG LEU 17 HG LEU 17 -1.298 -7.375 -12.274
277 HD11 LEU 17 HD11 LEU 17 1.374 -7.383 -13.758
278 HD12 LEU 17 HD12 LEU 17 0.617 -5.968 -12.995
279 HD13 LEU 17 HD13 LEU 17 -0.171 -6.749 -14.376
280 HD21 LEU 17 HD21 LEU 17 0.282 -9.705 -13.452
281 HD22 LEU 17 HD22 LEU 17 -1.174 -8.984 -14.166
282 HD23 LEU 17 HD23 LEU 17 -1.284 -9.809 -12.615
283 H VAL 18 H VAL 18 0.907 -7.477 -8.216
284 HA VAL 18 HA VAL 18 2.827 -9.450 -7.376
285 HB VAL 18 HB VAL 18 1.806 -6.876 -6.102
286 HG11 VAL 18 HG11 VAL 18 2.593 -8.181 -4.227
287 HG12 VAL 18 HG12 VAL 18 4.059 -8.673 -5.109
288 HG13 VAL 18 HG13 VAL 18 3.827 -6.984 -4.618
289 HG21 VAL 18 HG21 VAL 18 4.488 -7.625 -7.390
290 HG22 VAL 18 HG22 VAL 18 3.201 -6.791 -8.252
291 HG23 VAL 18 HG23 VAL 18 3.969 -6.003 -6.877
292 H CYS 19 HN CYS 19 -0.452 -8.663 -6.252
293 HA CYS 19 HA CYS 19 -0.375 -10.372 -3.883
294 HB2 CYS 19 HB2 CYS 19 -1.618 -8.260 -4.118
295 HB3 CYS 19 HB3 CYS 19 -2.617 -8.984 -5.386
296 H GLY 20 H GLY 20 -1.630 -10.762 -7.204
297 HA2 GLY 20 HA2 GLY 20 -1.971 -12.780 -8.357
298 HA3 GLY 20 HA3 GLY 20 -1.831 -13.686 -6.843
299 H GLU 21 H GLU 21 -3.607 -14.893 -7.075
300 HA GLU 21 HA GLU 21 -6.016 -14.248 -8.299
301 HB2 GLU 21 HB2 GLU 21 -5.050 -16.494 -7.877
302 HB3 GLU 21 HB3 GLU 21 -5.504 -16.368 -6.172
303 HG2 GLU 21 HG2 GLU 21 -7.882 -16.356 -6.778
304 HG3 GLU 21 HG3 GLU 21 -7.480 -16.268 -8.493
305 H ARG 22 H ARG 22 -5.160 -13.537 -4.988
306 HA ARG 22 HA ARG 22 -7.612 -13.285 -3.653
307 HB2 ARG 22 HB2 ARG 22 -5.062 -11.659 -3.586
308 HB3 ARG 22 HB3 ARG 22 -6.368 -11.390 -2.430
309 HG2 ARG 22 HG2 ARG 22 -6.084 -13.544 -1.443
310 HG3 ARG 22 HG3 ARG 22 -5.068 -14.118 -2.768
311 HD2 ARG 22 HD2 ARG 22 -3.714 -13.657 -0.789
312 HD3 ARG 22 HD3 ARG 22 -3.267 -12.605 -2.139
313 HE ARG 22 HE ARG 22 -5.218 -11.336 -0.390
314 HH11 ARG 22 HH11 ARG 22 -1.690 -11.877 -0.629
315 HH12 ARG 22 HH12 ARG 22 -1.405 -10.443 0.338
316 HH21 ARG 22 HH21 ARG 22 -4.723 -9.698 0.833
317 HH22 ARG 22 HH22 ARG 22 -3.034 -9.235 1.143
318 H GLY 23 H GLY 23 -6.144 -11.030 -6.005
319 HA2 GLY 23 HA2 GLY 23 -7.054 -9.247 -7.194
320 HA3 GLY 23 HA3 GLY 23 -8.630 -9.516 -6.417
321 H PHE 24 H PHE 24 -7.191 -6.968 -6.896
322 HA PHE 24 HA PHE 24 -6.017 -6.112 -4.414
323 HB2 PHE 24 HB2 PHE 24 -5.687 -4.024 -5.460
324 HB3 PHE 24 HB3 PHE 24 -5.419 -5.235 -6.682
325 HD1 PHE 24 HD1 PHE 24 -7.152 -5.544 -8.527
326 HD2 PHE 24 HD2 PHE 24 -7.436 -2.375 -5.610
327 HE1 PHE 24 HE1 PHE 24 -8.792 -4.367 -9.958
328 HE2 PHE 24 HE2 PHE 24 -9.078 -1.200 -7.048
329 HZ PHE 24 HZ PHE 24 -9.762 -2.192 -9.224
330 H PHE 25 H PHE 25 -6.664 -4.029 -3.359
331 HA PHE 25 HA PHE 25 -9.585 -3.865 -2.791
332 HB2 PHE 25 HB2 PHE 25 -8.712 -5.430 -1.181
333 HB3 PHE 25 HB3 PHE 25 -7.335 -4.408 -0.816
334 HD1 PHE 25 HD1 PHE 25 -11.101 -4.425 -0.673
335 HD2 PHE 25 HD2 PHE 25 -7.425 -2.925 1.017
336 HE1 PHE 25 HE1 PHE 25 -12.378 -3.365 1.177
337 HE2 PHE 25 HE2 PHE 25 -8.700 -1.864 2.854
338 HZ PHE 25 HZ PHE 25 -11.177 -2.085 2.947
339 H TYR 26 H TYR 26 -6.448 -2.393 -1.694
340 HA TYR 26 HA TYR 26 -7.741 0.079 -1.099
341 HB2 TYR 26 HB2 TYR 26 -5.681 -1.019 -0.060
342 HB3 TYR 26 HB3 TYR 26 -4.758 -0.350 -1.392
343 HD1 TYR 26 HD2 TYR 26 -4.528 2.153 -1.589
344 HD2 TYR 26 HD1 TYR 26 -6.540 0.314 1.744
345 HE1 TYR 26 HE2 TYR 26 -4.212 4.233 -0.248
346 HE2 TYR 26 HE1 TYR 26 -6.232 2.389 3.085
347 HH TYR 26 HH TYR 26 -4.540 5.272 1.779
348 H THR 27 H THR 27 -8.472 1.538 -2.507
349 HA THR 27 HA THR 27 -7.569 1.751 -5.253
350 HB THR 27 HB THR 27 -9.301 3.629 -5.297
351 HG1 THR 27 HG1 THR 27 -10.656 3.687 -3.468
352 HG21 THR 27 HG21 THR 27 -9.835 1.286 -5.917
353 HG22 THR 27 HG22 THR 27 -11.201 2.105 -5.150
354 HG23 THR 27 HG23 THR 27 -10.241 0.932 -4.223
355 HA PRO 28 HA PRO 28 -4.606 4.937 -4.848
356 HB2 PRO 28 HB2 PRO 28 -4.696 6.307 -7.193
357 HB3 PRO 28 HB3 PRO 28 -4.104 4.629 -7.024
358 HG2 PRO 28 HG2 PRO 28 -6.861 5.549 -7.912
359 HG3 PRO 28 HG3 PRO 28 -5.811 4.309 -8.665
360 HD2 PRO 28 HD2 PRO 28 -7.835 3.653 -6.960
361 HD3 PRO 28 HD3 PRO 28 -6.303 2.739 -6.984
362 H LYS 29 H LYS 29 -4.968 6.370 -3.241
363 HA LYS 29 HA LYS 29 -7.356 7.965 -3.138
364 HB2 LYS 29 HB2 LYS 29 -4.876 8.158 -1.379
365 HB3 LYS 29 HB3 LYS 29 -6.508 8.695 -0.977
366 HG2 LYS 29 HG2 LYS 29 -5.558 5.829 -1.307
367 HG3 LYS 29 HG3 LYS 29 -6.002 6.642 0.189
368 HD2 LYS 29 HD2 LYS 29 -8.353 6.830 -0.603
369 HD3 LYS 29 HD3 LYS 29 -7.907 5.980 -2.100
370 HE2 LYS 29 HE2 LYS 29 -7.119 4.038 -0.745
371 HE3 LYS 29 HE3 LYS 29 -7.658 4.866 0.727
372 HZ1 LYS 29 HZ1 LYS 29 -9.924 4.842 -0.230
373 HZ2 LYS 29 HZ2 LYS 29 -9.346 3.325 -0.043
374 HZ3 LYS 29 HZ3 LYS 29 -9.380 3.998 -1.533
375 H THR 30 H THR 30 -4.186 8.743 -4.306
376 HA THR 30 HA THR 30 -4.644 11.666 -4.169
377 HB THR 30 HB THR 30 -2.482 10.598 -3.484
378 HG1 THR 30 HG1 THR 30 -2.574 12.772 -3.957
379 HG21 THR 30 HG21 THR 30 -0.838 9.982 -5.110
380 HG22 THR 30 HG22 THR 30 -1.905 10.381 -6.464
381 HG23 THR 30 HG23 THR 30 -2.258 8.981 -5.426
382 H LYS 31 H LYS 31 -4.622 9.134 -6.644
383 HA LYS 31 HA LYS 31 -4.767 11.145 -8.812
384 HB2 LYS 31 HB2 LYS 31 -4.785 8.101 -8.886
385 HB3 LYS 31 HB3 LYS 31 -4.710 9.155 -10.287
386 HG2 LYS 31 HG2 LYS 31 -2.589 8.780 -8.146
387 HG3 LYS 31 HG3 LYS 31 -2.500 8.307 -9.833
388 HD2 LYS 31 HD2 LYS 31 -2.486 11.153 -8.745
389 HD3 LYS 31 HD3 LYS 31 -1.124 10.289 -9.424
390 HE2 LYS 31 HE2 LYS 31 -3.647 11.043 -10.979
391 HE3 LYS 31 HE3 LYS 31 -2.163 11.996 -10.944
392 HZ1 LYS 31 HZ1 LYS 31 -0.982 10.122 -11.929
393 HZ2 LYS 31 HZ2 LYS 31 -2.222 10.583 -12.889
394 HZ3 LYS 31 HZ3 LYS 31 -2.349 9.226 -11.992
395 H ARG 32 H ARG 32 -7.074 9.346 -6.959
396 HA ARG 32 HA ARG 32 -9.226 9.362 -8.910
397 HB2 ARG 32 HB2 ARG 32 -9.134 7.772 -7.017
398 HB3 ARG 32 HB3 ARG 32 -9.266 9.107 -5.871
399 HG2 ARG 32 HG2 ARG 32 -11.392 7.954 -6.111
400 HG3 ARG 32 HG3 ARG 32 -11.549 9.608 -6.696
401 HD2 ARG 32 HD2 ARG 32 -11.356 8.800 -9.034
402 HD3 ARG 32 HD3 ARG 32 -11.156 7.136 -8.447
403 HE ARG 32 HE ARG 32 -13.553 8.093 -7.337
404 HH11 ARG 32 HH21 ARG 32 -12.388 7.417 -10.569
405 HH12 ARG 32 HH22 ARG 32 -13.993 7.099 -11.176
406 HH21 ARG 32 HH11 ARG 32 -15.562 7.687 -8.177
407 HH22 ARG 32 HH12 ARG 32 -15.738 7.249 -9.853
Start of MODEL 46
1 H1 GLY 1 1H GLY 1 -2.825 7.616 1.240
2 H2 GLY 1 2H GLY 1 -4.363 7.975 0.778
3 H3 GLY 1 3H GLY 1 -3.128 8.079 -0.307
4 HA2 GLY 1 HA2 GLY 1 -4.078 5.586 0.932
5 HA3 GLY 1 HA3 GLY 1 -4.402 6.109 -0.731
6 H ILE 2 H ILE 2 -3.376 4.157 -1.477
7 HA ILE 2 HA ILE 2 -0.675 3.505 -0.697
8 HB ILE 2 HB ILE 2 -2.380 1.860 -1.399
9 HG12 ILE 2 HG12 ILE 2 0.298 1.795 -2.841
10 HG13 ILE 2 HG13 ILE 2 -0.045 1.283 -1.189
11 HG21 ILE 2 HG21 ILE 2 -2.916 1.382 -3.677
12 HG22 ILE 2 HG22 ILE 2 -3.312 3.069 -3.374
13 HG23 ILE 2 HG23 ILE 2 -1.842 2.663 -4.278
14 HD11 ILE 2 HD11 ILE 2 0.056 -0.702 -2.452
15 HD12 ILE 2 HD12 ILE 2 -1.683 -0.420 -2.220
16 HD13 ILE 2 HD13 ILE 2 -0.908 -0.022 -3.775
17 H VAL 3 H VAL 3 -1.891 5.179 -3.602
18 HA VAL 3 HA VAL 3 0.666 5.136 -4.901
19 HB VAL 3 HB VAL 3 -1.523 5.387 -6.050
20 HG11 VAL 3 HG11 VAL 3 -2.498 7.604 -6.391
21 HG12 VAL 3 HG12 VAL 3 -2.552 7.162 -4.679
22 HG13 VAL 3 HG13 VAL 3 -1.337 8.319 -5.266
23 HG21 VAL 3 HG21 VAL 3 -0.669 6.735 -7.872
24 HG22 VAL 3 HG22 VAL 3 0.524 7.506 -6.807
25 HG23 VAL 3 HG23 VAL 3 0.648 5.772 -7.182
26 H GLU 4 H GLU 4 -0.726 7.418 -2.553
27 HA GLU 4 HA GLU 4 1.310 9.426 -2.819
28 HB2 GLU 4 HB2 GLU 4 -0.458 8.683 -0.443
29 HB3 GLU 4 HB3 GLU 4 0.575 10.101 -0.535
30 HG2 GLU 4 HG2 GLU 4 -1.574 10.874 -1.056
31 HG3 GLU 4 HG3 GLU 4 -0.662 10.875 -2.561
32 H GLN 5 H GLN 5 1.555 6.210 -1.581
33 HA GLN 5 HA GLN 5 4.101 6.875 -0.160
34 HB2 GLN 5 HB2 GLN 5 2.653 5.438 1.130
35 HB3 GLN 5 HB3 GLN 5 2.355 4.376 -0.238
36 HG2 GLN 5 HG2 GLN 5 3.845 3.294 1.300
37 HG3 GLN 5 HG3 GLN 5 4.693 3.588 -0.203
38 HE21 GLN 5 HE21 GLN 5 6.203 5.626 -0.207
39 HE22 GLN 5 HE22 GLN 5 6.975 5.988 1.333
40 H CYS 6 HN CYS 6 2.829 4.527 -2.602
41 HA CYS 6 HA CYS 6 5.453 3.642 -3.346
42 HB2 CYS 6 HB2 CYS 6 2.672 3.331 -4.478
43 HB3 CYS 6 HB3 CYS 6 4.060 2.630 -5.290
44 H CYS 7 HN CYS 7 3.519 6.273 -4.759
45 HA CYS 7 HA CYS 7 5.289 6.444 -7.114
46 HB2 CYS 7 HB2 CYS 7 2.830 7.057 -7.017
47 HB3 CYS 7 HB3 CYS 7 3.288 8.496 -6.110
48 H THR 8 H THR 8 4.881 8.104 -4.023
49 HA THR 8 HA THR 8 6.771 10.215 -4.355
50 HB THR 8 HB THR 8 5.749 8.922 -1.792
51 HG1 THR 8 HG1 THR 8 3.981 10.054 -2.074
52 HG21 THR 8 HG21 THR 8 6.743 11.752 -2.402
53 HG22 THR 8 HG22 THR 8 7.525 10.556 -1.338
54 HG23 THR 8 HG23 THR 8 5.961 11.246 -0.888
55 H SER 9 H SER 9 7.098 6.954 -2.916
56 HA SER 9 HA SER 9 10.079 7.216 -2.981
57 HB2 SER 9 HB2 SER 9 8.480 6.171 -0.619
58 HB3 SER 9 HB3 SER 9 10.237 6.272 -0.741
59 HG SER 9 HG SER 9 10.027 8.580 -0.793
60 H ILE 10 H ILE 10 11.144 5.062 -2.677
61 HA ILE 10 HA ILE 10 9.967 2.898 -4.170
62 HB ILE 10 HB ILE 10 12.283 3.005 -2.187
63 HG12 ILE 10 HG12 ILE 10 12.176 2.840 -5.235
64 HG13 ILE 10 HG13 ILE 10 12.594 4.264 -4.277
65 HG21 ILE 10 HG21 ILE 10 11.400 0.709 -2.152
66 HG22 ILE 10 HG22 ILE 10 11.402 0.657 -3.921
67 HG23 ILE 10 HG23 ILE 10 12.928 0.746 -3.007
68 HD11 ILE 10 HD11 ILE 10 14.244 1.726 -4.541
69 HD12 ILE 10 HD12 ILE 10 14.624 3.361 -5.112
70 HD13 ILE 10 HD13 ILE 10 14.588 3.036 -3.371
71 H CYS 11 HN CYS 11 8.526 1.371 -3.609
72 HA CYS 11 HA CYS 11 7.975 0.935 -0.701
73 HB2 CYS 11 HB2 CYS 11 5.680 0.726 -1.064
74 HB3 CYS 11 HB3 CYS 11 6.188 2.230 -1.822
75 H SER 12 H SER 12 7.216 -1.095 -0.082
76 HA SER 12 HA SER 12 8.659 -3.266 -1.539
77 HB2 SER 12 HB2 SER 12 9.311 -2.795 0.769
78 HB3 SER 12 HB3 SER 12 7.647 -3.055 1.319
79 HG SER 12 HG SER 12 9.121 -4.908 1.542
80 H LEU 13 H LEU 13 7.793 -5.370 -1.780
81 HA LEU 13 HA LEU 13 5.034 -5.560 -2.596
82 HB2 LEU 13 HB2 LEU 13 7.283 -7.555 -2.104
83 HB3 LEU 13 HB3 LEU 13 5.640 -8.082 -2.469
84 HG LEU 13 HG LEU 13 5.634 -6.891 -4.596
85 HD11 LEU 13 HD11 LEU 13 8.518 -6.120 -3.965
86 HD12 LEU 13 HD12 LEU 13 7.143 -5.021 -4.265
87 HD13 LEU 13 HD13 LEU 13 7.757 -6.019 -5.569
88 HD21 LEU 13 HD21 LEU 13 8.070 -8.696 -4.282
89 HD22 LEU 13 HD22 LEU 13 7.181 -8.367 -5.788
90 HD23 LEU 13 HD23 LEU 13 6.378 -9.233 -4.470
91 H TYR 14 H TYR 14 6.642 -6.061 0.499
92 HA TYR 14 HA TYR 14 4.507 -7.358 1.902
93 HB2 TYR 14 HB2 TYR 14 6.765 -7.124 2.798
94 HB3 TYR 14 HB3 TYR 14 6.631 -5.368 2.803
95 HD1 TYR 14 HD1 TYR 14 5.199 -8.485 4.319
96 HD2 TYR 14 HD2 TYR 14 5.670 -4.213 4.652
97 HE1 TYR 14 HE1 TYR 14 4.218 -8.560 6.599
98 HE2 TYR 14 HE2 TYR 14 4.673 -4.280 6.933
99 HH TYR 14 HH TYR 14 3.569 -7.345 8.443
100 H GLN 15 H GLN 15 4.998 -3.957 1.005
101 HA GLN 15 HA GLN 15 2.752 -2.943 2.623
102 HB2 GLN 15 HB2 GLN 15 4.417 -1.614 0.433
103 HB3 GLN 15 HB3 GLN 15 3.231 -0.815 1.443
104 HG2 GLN 15 HG2 GLN 15 4.533 -1.274 3.467
105 HG3 GLN 15 HG3 GLN 15 5.727 -2.181 2.536
106 HE21 GLN 15 HE21 GLN 15 4.791 1.027 3.562
107 HE22 GLN 15 HE22 GLN 15 6.052 1.850 2.662
108 H LEU 16 H LEU 16 3.379 -3.723 -0.817
109 HA LEU 16 HA LEU 16 0.794 -3.086 -1.848
110 HB2 LEU 16 HB2 LEU 16 2.685 -5.311 -2.722
111 HB3 LEU 16 HB3 LEU 16 1.350 -4.675 -3.650
112 HG LEU 16 HG LEU 16 3.897 -3.179 -2.915
113 HD11 LEU 16 HD11 LEU 16 2.833 -4.179 -5.587
114 HD12 LEU 16 HD12 LEU 16 4.175 -4.884 -4.663
115 HD13 LEU 16 HD13 LEU 16 4.336 -3.258 -5.330
116 HD21 LEU 16 HD21 LEU 16 3.049 -1.402 -4.443
117 HD22 LEU 16 HD22 LEU 16 2.107 -1.547 -2.963
118 HD23 LEU 16 HD23 LEU 16 1.475 -2.223 -4.491
119 H GLU 17 H GLU 17 1.986 -6.291 -0.644
120 HA GLU 17 HA GLU 17 -0.569 -7.532 -0.892
121 HB2 GLU 17 HB2 GLU 17 1.861 -8.300 0.766
122 HB3 GLU 17 HB3 GLU 17 0.370 -9.245 0.696
123 HG2 GLU 17 HG2 GLU 17 0.668 -9.105 -1.907
124 HG3 GLU 17 HG3 GLU 17 2.354 -8.743 -1.521
125 H ASN 18 H ASN 18 0.822 -5.649 1.824
126 HA ASN 18 HA ASN 18 -1.210 -6.300 3.746
127 HB2 ASN 18 HB2 ASN 18 0.931 -5.316 4.369
128 HB3 ASN 18 HB3 ASN 18 0.576 -3.873 3.423
129 HD21 ASN 18 HD21 ASN 18 -0.594 -2.202 4.413
130 HD22 ASN 18 HD22 ASN 18 -1.291 -2.342 6.016
131 H TYR 19 H TYR 19 -1.095 -3.916 1.089
132 HA TYR 19 HA TYR 19 -3.620 -2.636 1.786
133 HB2 TYR 19 HB2 TYR 19 -1.471 -2.114 0.025
134 HB3 TYR 19 HB3 TYR 19 -2.813 -2.462 -1.032
135 HD1 TYR 19 HD1 TYR 19 -4.898 -1.043 -0.907
136 HD2 TYR 19 HD2 TYR 19 -1.377 -0.157 1.415
137 HE1 TYR 19 HE1 TYR 19 -5.774 1.237 -0.467
138 HE2 TYR 19 HE2 TYR 19 -2.246 2.122 1.875
139 HH TYR 19 HH TYR 19 -5.436 3.230 0.623
140 H CYS 20 HN CYS 20 -2.656 -5.357 -0.249
141 HA CYS 20 HA CYS 20 -5.198 -5.805 -1.531
142 HB2 CYS 20 HB2 CYS 20 -2.780 -7.559 -1.039
143 HB3 CYS 20 HB3 CYS 20 -4.128 -8.047 -2.047
144 H ASN 21 H ASN 21 -6.108 -8.107 -1.435
145 HA ASN 21 HA ASN 21 -7.304 -8.666 1.176
146 HB2 ASN 21 HB2 ASN 21 -7.456 -10.086 -1.519
147 HB3 ASN 21 HB3 ASN 21 -8.486 -10.419 -0.129
148 HD21 ASN 21 HD21 ASN 21 -9.830 -8.497 0.676
149 HD22 ASN 21 HD22 ASN 21 -10.434 -7.407 -0.567
150 H1 PHE 1 H1 PHE 1 14.046 -3.355 -11.835
151 H2 PHE 1 H2 PHE 1 13.089 -2.328 -10.984
152 H3 PHE 1 H3 PHE 1 12.432 -3.296 -12.121
153 HA PHE 1 HA PHE 1 12.912 -5.260 -10.894
154 HB2 PHE 1 HB2 PHE 1 15.013 -4.377 -9.872
155 HB3 PHE 1 HB3 PHE 1 14.047 -3.391 -8.778
156 HD1 PHE 1 HD2 PHE 1 14.253 -6.999 -9.930
157 HD2 PHE 1 HD1 PHE 1 13.787 -4.277 -6.606
158 HE1 PHE 1 HE2 PHE 1 14.071 -8.918 -8.376
159 HE2 PHE 1 HE1 PHE 1 13.619 -6.218 -5.055
160 HZ PHE 1 HZ PHE 1 13.757 -8.533 -5.941
161 H VAL 2 H VAL 2 11.567 -6.001 -8.920
162 HA VAL 2 HA VAL 2 8.986 -4.701 -9.187
163 HB VAL 2 HB VAL 2 8.090 -6.464 -7.743
164 HG11 VAL 2 HG11 VAL 2 8.433 -8.295 -9.292
165 HG12 VAL 2 HG12 VAL 2 8.300 -6.767 -10.173
166 HG13 VAL 2 HG13 VAL 2 9.891 -7.527 -9.953
167 HG21 VAL 2 HG21 VAL 2 9.475 -8.360 -7.029
168 HG22 VAL 2 HG22 VAL 2 10.946 -7.547 -7.586
169 HG23 VAL 2 HG23 VAL 2 10.017 -6.891 -6.225
170 H ASN 3 H ASN 3 11.344 -4.815 -6.512
171 HA ASN 3 HA ASN 3 9.693 -3.056 -4.785
172 HB2 ASN 3 HB2 ASN 3 11.036 -4.803 -3.742
173 HB3 ASN 3 HB3 ASN 3 12.499 -4.214 -4.521
174 HD21 ASN 3 HD21 ASN 3 13.408 -2.124 -3.808
175 HD22 ASN 3 HD22 ASN 3 13.012 -1.543 -2.201
176 H GLN 4 H GLN 4 9.498 -1.000 -5.612
177 HA GLN 4 HA GLN 4 11.768 0.681 -6.344
178 HB2 GLN 4 HB2 GLN 4 11.280 -1.089 -8.265
179 HB3 GLN 4 HB3 GLN 4 9.872 -0.102 -8.592
180 HG2 GLN 4 HG2 GLN 4 11.452 1.841 -9.030
181 HG3 GLN 4 HG3 GLN 4 12.804 0.760 -8.681
182 HE21 GLN 4 HE21 GLN 4 10.008 1.268 -10.913
183 HE22 GLN 4 HE22 GLN 4 10.742 0.378 -12.238
184 H HIS 5 H HIS 5 10.639 2.703 -7.702
185 HA HIS 5 HA HIS 5 8.256 3.639 -6.241
186 HB2 HIS 5 HB2 HIS 5 9.787 4.697 -8.664
187 HB3 HIS 5 HB3 HIS 5 8.304 5.408 -8.072
188 HD1 HIS 5 HD1 HIS 5 8.644 7.372 -6.454
189 HD2 HIS 5 HD2 HIS 5 11.923 4.751 -6.736
190 HE1 HIS 5 HE1 HIS 5 10.555 8.470 -5.192
191 H LEU 6 H LEU 6 6.191 3.438 -6.979
192 HA LEU 6 HA LEU 6 5.571 2.322 -9.674
193 HB2 LEU 6 HB2 LEU 6 4.648 1.260 -6.966
194 HB3 LEU 6 HB3 LEU 6 3.869 0.836 -8.488
195 HG LEU 6 HG LEU 6 6.793 0.225 -7.864
196 HD11 LEU 6 HD11 LEU 6 5.384 -0.930 -6.259
197 HD12 LEU 6 HD12 LEU 6 5.978 -2.095 -7.455
198 HD13 LEU 6 HD13 LEU 6 4.308 -1.497 -7.552
199 HD21 LEU 6 HD21 LEU 6 4.888 -0.816 -10.023
200 HD22 LEU 6 HD22 LEU 6 6.550 -1.385 -9.745
201 HD23 LEU 6 HD23 LEU 6 6.272 0.270 -10.291
202 H CYS 7 HN CYS 7 3.924 3.477 -10.603
203 HA CYS 7 HA CYS 7 2.153 5.127 -8.850
204 HB2 CYS 7 HB2 CYS 7 4.354 6.222 -9.687
205 HB3 CYS 7 HB3 CYS 7 3.570 6.274 -11.261
206 H GLY 8 H GLY 8 0.089 5.315 -9.497
207 HA2 GLY 8 HA2 GLY 8 -1.842 5.138 -10.737
208 HA3 GLY 8 HA3 GLY 8 -0.841 5.541 -12.134
209 H SER 9 H SER 9 -1.338 4.183 -13.726
210 HA SER 9 HA SER 9 -2.412 1.609 -13.593
211 HB2 SER 9 HB2 SER 9 -0.558 2.696 -15.739
212 HB3 SER 9 HB3 SER 9 -1.757 1.399 -15.914
213 HG SER 9 HG SER 9 -2.548 3.436 -16.681
214 H HIS 10 H HIS 10 1.061 2.510 -13.404
215 HA HIS 10 HA HIS 10 2.087 -0.164 -13.731
216 HB2 HIS 10 HB2 HIS 10 3.356 2.140 -12.202
217 HB3 HIS 10 HB3 HIS 10 4.156 0.787 -12.986
218 HD1 HIS 10 HD1 HIS 10 2.819 4.241 -13.700
219 HD2 HIS 10 HD2 HIS 10 4.234 0.863 -15.773
220 HE1 HIS 10 HE1 HIS 10 3.282 5.011 -16.093
221 H LEU 11 H LEU 11 1.088 1.743 -10.904
222 HA LEU 11 HA LEU 11 1.854 -0.250 -8.920
223 HB2 LEU 11 HB2 LEU 11 1.727 2.156 -8.445
224 HB3 LEU 11 HB3 LEU 11 0.014 2.187 -8.824
225 HG LEU 11 HG LEU 11 -0.524 0.849 -6.862
226 HD11 LEU 11 HD11 LEU 11 1.434 -0.641 -6.696
227 HD12 LEU 11 HD12 LEU 11 1.193 0.250 -5.186
228 HD13 LEU 11 HD13 LEU 11 2.474 0.745 -6.308
229 HD21 LEU 11 HD21 LEU 11 0.265 2.485 -5.141
230 HD22 LEU 11 HD22 LEU 11 -0.265 3.301 -6.624
231 HD23 LEU 11 HD23 LEU 11 1.455 3.111 -6.298
232 H VAL 12 H VAL 12 -1.215 0.623 -10.547
233 HA VAL 12 HA VAL 12 -2.834 -1.391 -9.316
234 HB VAL 12 HB VAL 12 -3.045 -0.061 -12.033
235 HG11 VAL 12 HG11 VAL 12 -5.061 -1.905 -10.674
236 HG12 VAL 12 HG12 VAL 12 -5.427 -0.851 -12.062
237 HG13 VAL 12 HG13 VAL 12 -4.270 -2.171 -12.244
238 HG21 VAL 12 HG21 VAL 12 -4.615 0.306 -9.435
239 HG22 VAL 12 HG22 VAL 12 -3.354 1.406 -10.028
240 HG23 VAL 12 HG23 VAL 12 -4.855 1.217 -10.939
241 H GLU 13 H GLU 13 -0.824 -1.585 -12.323
242 HA GLU 13 HA GLU 13 -1.333 -4.340 -12.847
243 HB2 GLU 13 HB2 GLU 13 -0.349 -2.727 -14.448
244 HB3 GLU 13 HB3 GLU 13 1.148 -2.705 -13.506
245 HG2 GLU 13 HG2 GLU 13 1.502 -5.098 -13.953
246 HG3 GLU 13 HG3 GLU 13 -0.061 -5.201 -14.775
247 H ALA 14 H ALA 14 1.264 -2.794 -10.851
248 HA ALA 14 HA ALA 14 2.564 -5.215 -10.098
249 HB1 ALA 14 HB1 ALA 14 2.255 -2.626 -8.502
250 HB2 ALA 14 HB2 ALA 14 3.473 -3.890 -8.247
251 HB3 ALA 14 HB3 ALA 14 3.491 -2.942 -9.743
252 H LEU 15 H LEU 15 -0.201 -3.517 -8.507
253 HA LEU 15 HA LEU 15 -0.572 -5.399 -6.385
254 HB2 LEU 15 HB2 LEU 15 -2.481 -3.542 -7.850
255 HB3 LEU 15 HB3 LEU 15 -2.955 -4.502 -6.454
256 HG LEU 15 HG LEU 15 -0.623 -2.563 -6.306
257 HD11 LEU 15 HD11 LEU 15 -3.557 -2.008 -5.690
258 HD12 LEU 15 HD12 LEU 15 -2.628 -1.312 -7.034
259 HD13 LEU 15 HD13 LEU 15 -2.199 -0.914 -5.366
260 HD21 LEU 15 HD21 LEU 15 -2.462 -3.633 -4.135
261 HD22 LEU 15 HD22 LEU 15 -1.019 -2.626 -3.919
262 HD23 LEU 15 HD23 LEU 15 -0.843 -4.280 -4.495
263 H TYR 16 H TYR 16 -1.978 -5.405 -9.701
264 HA TYR 16 HA TYR 16 -3.468 -7.833 -9.471
265 HB2 TYR 16 HB2 TYR 16 -2.215 -6.287 -11.737
266 HB3 TYR 16 HB3 TYR 16 -2.605 -7.957 -12.041
267 HD1 TYR 16 HD1 TYR 16 -5.026 -8.753 -11.398
268 HD2 TYR 16 HD2 TYR 16 -3.879 -4.688 -12.264
269 HE1 TYR 16 HE1 TYR 16 -7.350 -8.254 -12.112
270 HE2 TYR 16 HE2 TYR 16 -6.203 -4.176 -12.958
271 HH TYR 16 HH TYR 16 -8.805 -6.653 -12.924
272 H LEU 17 H LEU 17 -0.053 -7.417 -10.560
273 HA LEU 17 HA LEU 17 0.401 -10.245 -10.875
274 HB2 LEU 17 HB2 LEU 17 2.063 -7.723 -10.911
275 HB3 LEU 17 HB3 LEU 17 2.906 -9.239 -10.677
276 HG LEU 17 HG LEU 17 2.070 -10.165 -12.740
277 HD11 LEU 17 HD11 LEU 17 -0.154 -9.091 -12.945
278 HD12 LEU 17 HD12 LEU 17 0.823 -8.851 -14.397
279 HD13 LEU 17 HD13 LEU 17 0.635 -7.526 -13.244
280 HD21 LEU 17 HD21 LEU 17 3.186 -7.355 -13.123
281 HD22 LEU 17 HD22 LEU 17 3.291 -8.685 -14.292
282 HD23 LEU 17 HD23 LEU 17 4.136 -8.813 -12.743
283 H VAL 18 H VAL 18 1.197 -8.049 -8.178
284 HA VAL 18 HA VAL 18 2.694 -10.046 -6.729
285 HB VAL 18 HB VAL 18 1.609 -7.326 -5.922
286 HG11 VAL 18 HG11 VAL 18 1.838 -8.540 -3.849
287 HG12 VAL 18 HG12 VAL 18 3.446 -9.144 -4.309
288 HG13 VAL 18 HG13 VAL 18 3.188 -7.420 -3.985
289 HG21 VAL 18 HG21 VAL 18 4.460 -8.302 -6.474
290 HG22 VAL 18 HG22 VAL 18 3.467 -7.473 -7.674
291 HG23 VAL 18 HG23 VAL 18 3.939 -6.627 -6.200
292 H CYS 19 HN CYS 19 -0.696 -8.871 -6.411
293 HA CYS 19 HA CYS 19 -1.114 -10.651 -4.082
294 HB2 CYS 19 HB2 CYS 19 -2.940 -8.606 -5.381
295 HB3 CYS 19 HB3 CYS 19 -3.182 -9.421 -3.826
296 H GLY 20 H GLY 20 -1.765 -10.744 -7.491
297 HA2 GLY 20 HA2 GLY 20 -2.555 -12.456 -8.812
298 HA3 GLY 20 HA3 GLY 20 -2.311 -13.496 -7.404
299 H GLU 21 H GLU 21 -4.028 -14.769 -7.525
300 HA GLU 21 HA GLU 21 -6.620 -13.998 -8.431
301 HB2 GLU 21 HB2 GLU 21 -7.266 -16.270 -7.941
302 HB3 GLU 21 HB3 GLU 21 -5.681 -16.243 -8.704
303 HG2 GLU 21 HG2 GLU 21 -4.619 -16.568 -6.455
304 HG3 GLU 21 HG3 GLU 21 -6.224 -16.620 -5.721
305 H ARG 22 H ARG 22 -5.247 -13.603 -5.298
306 HA ARG 22 HA ARG 22 -7.619 -13.864 -3.679
307 HB2 ARG 22 HB2 ARG 22 -5.192 -12.104 -3.202
308 HB3 ARG 22 HB3 ARG 22 -6.377 -12.661 -2.005
309 HG2 ARG 22 HG2 ARG 22 -5.590 -15.070 -2.696
310 HG3 ARG 22 HG3 ARG 22 -4.195 -14.233 -3.399
311 HD2 ARG 22 HD2 ARG 22 -5.100 -14.310 -0.502
312 HD3 ARG 22 HD3 ARG 22 -3.589 -14.914 -1.165
313 HE ARG 22 HE ARG 22 -4.340 -12.093 -0.569
314 HH11 ARG 22 HH11 ARG 22 -1.666 -14.135 -1.827
315 HH12 ARG 22 HH12 ARG 22 -0.547 -12.813 -1.496
316 HH21 ARG 22 HH21 ARG 22 -2.872 -10.619 -0.306
317 HH22 ARG 22 HH22 ARG 22 -1.162 -10.954 -0.708
318 H GLY 23 H GLY 23 -6.448 -11.342 -5.794
319 HA2 GLY 23 HA2 GLY 23 -7.597 -9.401 -6.532
320 HA3 GLY 23 HA3 GLY 23 -8.720 -9.524 -5.162
321 H PHE 24 H PHE 24 -7.749 -7.137 -5.794
322 HA PHE 24 HA PHE 24 -5.947 -6.443 -3.542
323 HB2 PHE 24 HB2 PHE 24 -4.665 -4.978 -4.913
324 HB3 PHE 24 HB3 PHE 24 -4.676 -6.559 -5.690
325 HD1 PHE 24 HD2 PHE 24 -5.989 -6.934 -7.784
326 HD2 PHE 24 HD1 PHE 24 -5.646 -3.030 -5.985
327 HE1 PHE 24 HE2 PHE 24 -6.780 -5.894 -9.880
328 HE2 PHE 24 HE1 PHE 24 -6.420 -1.986 -8.103
329 HZ PHE 24 HZ PHE 24 -6.996 -3.421 -10.053
330 H PHE 25 H PHE 25 -5.916 -4.030 -3.189
331 HA PHE 25 HA PHE 25 -8.471 -2.659 -3.816
332 HB2 PHE 25 HB2 PHE 25 -8.582 -3.600 -1.517
333 HB3 PHE 25 HB3 PHE 25 -7.104 -2.738 -1.104
334 HD1 PHE 25 HD1 PHE 25 -10.538 -2.068 -2.508
335 HD2 PHE 25 HD2 PHE 25 -7.308 -0.664 -0.019
336 HE1 PHE 25 HE1 PHE 25 -11.900 -0.096 -1.843
337 HE2 PHE 25 HE2 PHE 25 -8.665 1.302 0.633
338 HZ PHE 25 HZ PHE 25 -10.961 1.594 -0.279
339 H TYR 26 H TYR 26 -8.272 -0.409 -4.019
340 HA TYR 26 HA TYR 26 -5.649 0.914 -3.898
341 HB2 TYR 26 HB2 TYR 26 -5.486 -0.328 -5.998
342 HB3 TYR 26 HB3 TYR 26 -7.042 0.289 -6.535
343 HD1 TYR 26 HD1 TYR 26 -7.294 2.618 -7.316
344 HD2 TYR 26 HD2 TYR 26 -3.469 1.069 -6.068
345 HE1 TYR 26 HE1 TYR 26 -6.166 4.557 -8.386
346 HE2 TYR 26 HE2 TYR 26 -2.343 2.996 -7.170
347 HH TYR 26 HH TYR 26 -4.159 5.577 -8.854
348 H THR 27 H THR 27 -5.998 2.939 -3.257
349 HA THR 27 HA THR 27 -8.193 4.573 -4.349
350 HB THR 27 HB THR 27 -7.878 4.198 -1.348
351 HG1 THR 27 HG1 THR 27 -9.837 3.314 -3.204
352 HG21 THR 27 HG21 THR 27 -9.820 5.880 -3.003
353 HG22 THR 27 HG22 THR 27 -8.615 6.455 -1.836
354 HG23 THR 27 HG23 THR 27 -10.005 5.534 -1.270
355 HA PRO 28 HA PRO 28 -4.732 7.477 -3.545
356 HB2 PRO 28 HB2 PRO 28 -5.385 9.416 -5.295
357 HB3 PRO 28 HB3 PRO 28 -4.779 7.834 -5.870
358 HG2 PRO 28 HG2 PRO 28 -7.659 8.735 -5.654
359 HG3 PRO 28 HG3 PRO 28 -6.841 8.000 -7.069
360 HD2 PRO 28 HD2 PRO 28 -8.317 6.531 -5.272
361 HD3 PRO 28 HD3 PRO 28 -6.875 5.859 -6.083
362 H LYS 29 H LYS 29 -4.648 9.652 -2.652
363 HA LYS 29 HA LYS 29 -6.601 10.193 -0.624
364 HB2 LYS 29 HB2 LYS 29 -4.220 10.796 -0.500
365 HB3 LYS 29 HB3 LYS 29 -4.385 11.889 -1.868
366 HG2 LYS 29 HG2 LYS 29 -4.232 13.148 0.175
367 HG3 LYS 29 HG3 LYS 29 -5.813 13.397 -0.550
368 HD2 LYS 29 HD2 LYS 29 -6.824 11.810 1.087
369 HD3 LYS 29 HD3 LYS 29 -5.216 11.535 1.801
370 HE2 LYS 29 HE2 LYS 29 -5.042 13.956 2.328
371 HE3 LYS 29 HE3 LYS 29 -6.637 14.233 1.612
372 HZ1 LYS 29 HZ1 LYS 29 -7.587 12.800 3.327
373 HZ2 LYS 29 HZ2 LYS 29 -6.762 14.026 4.022
374 HZ3 LYS 29 HZ3 LYS 29 -6.114 12.529 3.991
375 H THR 30 H THR 30 -6.466 11.238 -3.962
376 HA THR 30 HA THR 30 -8.286 13.491 -3.783
377 HB THR 30 HB THR 30 -8.369 13.196 -6.291
378 HG1 THR 30 HG1 THR 30 -6.894 11.668 -7.129
379 HG21 THR 30 HG21 THR 30 -6.051 13.875 -6.670
380 HG22 THR 30 HG22 THR 30 -5.570 13.259 -5.071
381 HG23 THR 30 HG23 THR 30 -6.676 14.649 -5.201
382 H LYS 31 H LYS 31 -8.793 10.016 -4.133
383 HA LYS 31 HA LYS 31 -11.697 10.481 -4.724
384 HB2 LYS 31 HB2 LYS 31 -9.939 8.029 -5.110
385 HB3 LYS 31 HB3 LYS 31 -11.659 8.126 -5.490
386 HG2 LYS 31 HG2 LYS 31 -11.227 9.949 -7.118
387 HG3 LYS 31 HG3 LYS 31 -9.487 9.813 -6.809
388 HD2 LYS 31 HD2 LYS 31 -9.545 7.435 -7.566
389 HD3 LYS 31 HD3 LYS 31 -11.281 7.608 -7.909
390 HE2 LYS 31 HE2 LYS 31 -10.758 9.469 -9.495
391 HE3 LYS 31 HE3 LYS 31 -9.034 9.247 -9.176
392 HZ1 LYS 31 HZ1 LYS 31 -9.728 8.088 -11.197
393 HZ2 LYS 31 HZ2 LYS 31 -10.829 7.207 -10.376
394 HZ3 LYS 31 HZ3 LYS 31 -9.230 6.995 -10.093
395 H ARG 32 H ARG 32 -9.724 9.584 -2.090
396 HA ARG 32 HA ARG 32 -11.392 7.700 -0.728
397 HB2 ARG 32 HB2 ARG 32 -8.985 8.228 -0.191
398 HB3 ARG 32 HB3 ARG 32 -9.525 9.762 0.516
399 HG2 ARG 32 HG2 ARG 32 -10.939 8.511 2.141
400 HG3 ARG 32 HG3 ARG 32 -10.431 6.976 1.402
401 HD2 ARG 32 HD2 ARG 32 -8.091 7.440 2.061
402 HD3 ARG 32 HD3 ARG 32 -8.602 8.988 2.777
403 HE ARG 32 HE ARG 32 -10.152 6.840 3.878
404 HH11 ARG 32 HH11 ARG 32 -6.914 8.148 4.152
405 HH12 ARG 32 HH12 ARG 32 -6.711 7.535 5.772
406 HH21 ARG 32 HH21 ARG 32 -9.818 6.093 5.945
407 HH22 ARG 32 HH22 ARG 32 -8.318 6.423 6.754
Start of MODEL 47
1 H1 GLY 1 1H GLY 1 0.007 5.871 3.342
2 H2 GLY 1 2H GLY 1 -0.316 4.518 4.221
3 H3 GLY 1 3H GLY 1 -1.375 5.772 4.226
4 HA2 GLY 1 HA2 GLY 1 -2.239 4.042 2.816
5 HA3 GLY 1 HA3 GLY 1 -1.810 5.476 1.861
6 H ILE 2 H ILE 2 -0.502 5.174 0.181
7 HA ILE 2 HA ILE 2 1.686 3.419 -0.002
8 HB ILE 2 HB ILE 2 0.169 1.558 0.016
9 HG12 ILE 2 HG12 ILE 2 1.271 1.863 -2.786
10 HG13 ILE 2 HG13 ILE 2 2.262 1.552 -1.348
11 HG21 ILE 2 HG21 ILE 2 -1.873 2.679 -0.956
12 HG22 ILE 2 HG22 ILE 2 -1.124 2.513 -2.565
13 HG23 ILE 2 HG23 ILE 2 -1.527 1.081 -1.608
14 HD11 ILE 2 HD11 ILE 2 1.897 -0.544 -2.401
15 HD12 ILE 2 HD12 ILE 2 0.876 -0.531 -0.952
16 HD13 ILE 2 HD13 ILE 2 0.149 -0.270 -2.550
17 H VAL 3 H VAL 3 -0.858 4.716 -2.206
18 HA VAL 3 HA VAL 3 0.949 5.101 -4.353
19 HB VAL 3 HB VAL 3 -1.472 5.021 -4.622
20 HG11 VAL 3 HG11 VAL 3 -1.545 7.857 -3.527
21 HG12 VAL 3 HG12 VAL 3 -2.884 7.022 -4.316
22 HG13 VAL 3 HG13 VAL 3 -2.264 6.418 -2.772
23 HG21 VAL 3 HG21 VAL 3 0.011 5.980 -6.409
24 HG22 VAL 3 HG22 VAL 3 -1.650 6.598 -6.451
25 HG23 VAL 3 HG23 VAL 3 -0.355 7.607 -5.788
26 H GLU 4 H GLU 4 0.233 7.225 -1.614
27 HA GLU 4 HA GLU 4 1.639 9.522 -2.655
28 HB2 GLU 4 HB2 GLU 4 1.165 10.545 -0.625
29 HB3 GLU 4 HB3 GLU 4 -0.240 9.569 -0.988
30 HG2 GLU 4 HG2 GLU 4 1.952 8.931 1.039
31 HG3 GLU 4 HG3 GLU 4 0.355 9.563 1.398
32 H GLN 5 H GLN 5 2.850 6.564 -1.650
33 HA GLN 5 HA GLN 5 5.555 7.735 -1.091
34 HB2 GLN 5 HB2 GLN 5 4.785 6.227 0.694
35 HB3 GLN 5 HB3 GLN 5 4.382 4.980 -0.482
36 HG2 GLN 5 HG2 GLN 5 6.461 4.409 0.611
37 HG3 GLN 5 HG3 GLN 5 6.751 4.720 -1.092
38 HE21 GLN 5 HE21 GLN 5 9.042 5.054 -0.595
39 HE22 GLN 5 HE22 GLN 5 9.550 6.547 0.192
40 H CYS 6 HN CYS 6 3.849 5.055 -2.843
41 HA CYS 6 HA CYS 6 5.998 4.242 -4.460
42 HB2 CYS 6 HB2 CYS 6 2.996 4.226 -4.969
43 HB3 CYS 6 HB3 CYS 6 4.176 3.387 -5.957
44 H CYS 7 HN CYS 7 3.682 6.904 -5.127
45 HA CYS 7 HA CYS 7 4.487 7.065 -7.925
46 HB2 CYS 7 HB2 CYS 7 2.194 7.515 -6.982
47 HB3 CYS 7 HB3 CYS 7 2.820 9.006 -6.294
48 H THR 8 H THR 8 5.336 8.843 -5.007
49 HA THR 8 HA THR 8 6.906 10.896 -6.480
50 HB THR 8 HB THR 8 7.015 11.932 -4.172
51 HG1 THR 8 HG1 THR 8 5.535 11.009 -2.656
52 HG21 THR 8 HG21 THR 8 4.193 11.338 -5.178
53 HG22 THR 8 HG22 THR 8 5.276 12.577 -5.847
54 HG23 THR 8 HG23 THR 8 4.702 12.711 -4.176
55 H SER 9 H SER 9 7.356 8.128 -4.363
56 HA SER 9 HA SER 9 10.308 8.340 -4.661
57 HB2 SER 9 HB2 SER 9 9.565 9.320 -2.481
58 HB3 SER 9 HB3 SER 9 8.865 7.752 -2.054
59 HG SER 9 HG SER 9 11.127 8.258 -1.325
60 H ILE 10 H ILE 10 10.742 6.009 -3.049
61 HA ILE 10 HA ILE 10 9.858 3.908 -5.009
62 HB ILE 10 HB ILE 10 12.237 4.154 -3.138
63 HG12 ILE 10 HG12 ILE 10 11.977 3.908 -6.179
64 HG13 ILE 10 HG13 ILE 10 12.313 5.396 -5.294
65 HG21 ILE 10 HG21 ILE 10 11.503 1.805 -3.043
66 HG22 ILE 10 HG22 ILE 10 11.475 1.739 -4.822
67 HG23 ILE 10 HG23 ILE 10 13.002 1.942 -3.936
68 HD11 ILE 10 HD11 ILE 10 14.455 4.379 -4.458
69 HD12 ILE 10 HD12 ILE 10 14.164 3.005 -5.558
70 HD13 ILE 10 HD13 ILE 10 14.368 4.631 -6.212
71 H CYS 11 HN CYS 11 8.747 2.119 -4.422
72 HA CYS 11 HA CYS 11 8.282 1.574 -1.532
73 HB2 CYS 11 HB2 CYS 11 5.952 1.316 -1.806
74 HB3 CYS 11 HB3 CYS 11 6.375 2.877 -2.490
75 H SER 12 H SER 12 7.450 -0.610 -1.122
76 HA SER 12 HA SER 12 8.906 -2.547 -2.872
77 HB2 SER 12 HB2 SER 12 9.350 -3.791 -0.892
78 HB3 SER 12 HB3 SER 12 9.704 -2.093 -0.541
79 HG SER 12 HG SER 12 8.522 -2.945 1.161
80 H LEU 13 H LEU 13 8.265 -4.833 -2.853
81 HA LEU 13 HA LEU 13 5.458 -5.273 -3.412
82 HB2 LEU 13 HB2 LEU 13 7.881 -7.071 -3.117
83 HB3 LEU 13 HB3 LEU 13 6.253 -7.743 -3.220
84 HG LEU 13 HG LEU 13 5.850 -6.718 -5.384
85 HD11 LEU 13 HD11 LEU 13 8.681 -5.635 -5.188
86 HD12 LEU 13 HD12 LEU 13 7.183 -4.702 -5.370
87 HD13 LEU 13 HD13 LEU 13 7.755 -5.722 -6.695
88 HD21 LEU 13 HD21 LEU 13 8.483 -8.252 -5.297
89 HD22 LEU 13 HD22 LEU 13 7.392 -8.115 -6.691
90 HD23 LEU 13 HD23 LEU 13 6.861 -8.978 -5.238
91 H TYR 14 H TYR 14 7.369 -5.585 -0.446
92 HA TYR 14 HA TYR 14 5.350 -6.947 1.077
93 HB2 TYR 14 HB2 TYR 14 7.706 -6.733 1.767
94 HB3 TYR 14 HB3 TYR 14 7.504 -4.994 1.965
95 HD1 TYR 14 HD2 TYR 14 6.223 -8.308 3.179
96 HD2 TYR 14 HD1 TYR 14 6.744 -4.118 4.056
97 HE1 TYR 14 HE2 TYR 14 5.460 -8.704 5.513
98 HE2 TYR 14 HE1 TYR 14 5.973 -4.504 6.386
99 HH TYR 14 HH TYR 14 5.228 -6.053 7.929
100 H GLN 15 H GLN 15 5.726 -3.524 0.212
101 HA GLN 15 HA GLN 15 3.485 -2.632 1.891
102 HB2 GLN 15 HB2 GLN 15 5.025 -1.308 -0.370
103 HB3 GLN 15 HB3 GLN 15 3.710 -0.529 0.519
104 HG2 GLN 15 HG2 GLN 15 4.920 -0.691 2.619
105 HG3 GLN 15 HG3 GLN 15 6.207 -1.645 1.888
106 HE21 GLN 15 HE21 GLN 15 5.477 1.489 2.864
107 HE22 GLN 15 HE22 GLN 15 6.633 2.310 1.826
108 H LEU 16 H LEU 16 3.858 -3.633 -1.560
109 HA LEU 16 HA LEU 16 1.115 -3.165 -2.284
110 HB2 LEU 16 HB2 LEU 16 3.162 -5.183 -3.302
111 HB3 LEU 16 HB3 LEU 16 1.606 -4.914 -4.056
112 HG LEU 16 HG LEU 16 3.687 -2.702 -3.732
113 HD11 LEU 16 HD11 LEU 16 3.125 -4.452 -6.169
114 HD12 LEU 16 HD12 LEU 16 4.594 -4.502 -5.181
115 HD13 LEU 16 HD13 LEU 16 4.227 -3.056 -6.106
116 HD21 LEU 16 HD21 LEU 16 1.315 -2.935 -5.622
117 HD22 LEU 16 HD22 LEU 16 2.408 -1.545 -5.439
118 HD23 LEU 16 HD23 LEU 16 1.295 -1.970 -4.130
119 H GLU 17 H GLU 17 2.672 -6.053 -0.857
120 HA GLU 17 HA GLU 17 0.430 -7.740 -0.753
121 HB2 GLU 17 HB2 GLU 17 2.875 -7.518 1.031
122 HB3 GLU 17 HB3 GLU 17 1.614 -8.711 1.322
123 HG2 GLU 17 HG2 GLU 17 1.897 -9.603 -0.971
124 HG3 GLU 17 HG3 GLU 17 3.246 -8.498 -1.230
125 H ASN 18 H ASN 18 1.062 -4.940 1.333
126 HA ASN 18 HA ASN 18 -0.556 -5.635 3.552
127 HB2 ASN 18 HB2 ASN 18 1.042 -3.738 3.468
128 HB3 ASN 18 HB3 ASN 18 -0.025 -2.916 2.327
129 HD21 ASN 18 HD21 ASN 18 -1.720 -1.653 3.135
130 HD22 ASN 18 HD22 ASN 18 -2.132 -1.600 4.839
131 H TYR 19 H TYR 19 -1.493 -4.571 0.344
132 HA TYR 19 HA TYR 19 -4.323 -4.103 1.153
133 HB2 TYR 19 HB2 TYR 19 -2.671 -3.311 -1.262
134 HB3 TYR 19 HB3 TYR 19 -4.416 -3.113 -1.195
135 HD1 TYR 19 HD2 TYR 19 -5.488 -1.586 0.407
136 HD2 TYR 19 HD1 TYR 19 -1.198 -1.868 0.119
137 HE1 TYR 19 HE2 TYR 19 -5.276 0.510 1.709
138 HE2 TYR 19 HE1 TYR 19 -0.978 0.228 1.451
139 HH TYR 19 HH TYR 19 -3.843 2.027 2.661
140 H CYS 20 HN CYS 20 -2.693 -6.793 0.357
141 HA CYS 20 HA CYS 20 -4.713 -7.910 -1.512
142 HB2 CYS 20 HB2 CYS 20 -2.313 -9.237 -0.217
143 HB3 CYS 20 HB3 CYS 20 -3.310 -9.891 -1.515
144 H ASN 21 H ASN 21 -5.960 -9.725 -1.028
145 HA ASN 21 HA ASN 21 -6.158 -11.003 1.532
146 HB2 ASN 21 HB2 ASN 21 -8.522 -10.195 2.028
147 HB3 ASN 21 HB3 ASN 21 -7.196 -9.123 2.442
148 HD21 ASN 21 HD21 ASN 21 -8.839 -9.604 -0.718
149 HD22 ASN 21 HD22 ASN 21 -9.402 -7.920 -0.827
150 H1 PHE 1 H1 PHE 1 11.822 -6.813 -0.741
151 H2 PHE 1 H2 PHE 1 12.938 -7.288 0.358
152 H3 PHE 1 H3 PHE 1 13.076 -5.830 -0.370
153 HA PHE 1 HA PHE 1 14.662 -7.305 -1.268
154 HB2 PHE 1 HB2 PHE 1 14.210 -9.312 -2.370
155 HB3 PHE 1 HB3 PHE 1 13.502 -9.403 -0.780
156 HD1 PHE 1 HD1 PHE 1 10.836 -8.911 -0.655
157 HD2 PHE 1 HD2 PHE 1 13.018 -10.103 -4.212
158 HE1 PHE 1 HE1 PHE 1 8.723 -9.636 -1.730
159 HE2 PHE 1 HE2 PHE 1 10.903 -10.813 -5.254
160 HZ PHE 1 HZ PHE 1 8.749 -10.602 -4.027
161 H VAL 2 H VAL 2 11.823 -7.452 -3.537
162 HA VAL 2 HA VAL 2 13.202 -5.523 -5.311
163 HB VAL 2 HB VAL 2 10.597 -7.050 -5.589
164 HG11 VAL 2 HG11 VAL 2 11.906 -5.167 -7.602
165 HG12 VAL 2 HG12 VAL 2 10.556 -6.273 -7.940
166 HG13 VAL 2 HG13 VAL 2 10.324 -4.933 -6.815
167 HG21 VAL 2 HG21 VAL 2 13.244 -7.263 -7.098
168 HG22 VAL 2 HG22 VAL 2 12.724 -8.378 -5.840
169 HG23 VAL 2 HG23 VAL 2 11.801 -8.285 -7.340
170 H ASN 3 H ASN 3 12.587 -3.486 -5.734
171 HA ASN 3 HA ASN 3 10.154 -2.280 -4.763
172 HB2 ASN 3 HB2 ASN 3 11.329 -0.531 -3.383
173 HB3 ASN 3 HB3 ASN 3 11.279 -2.136 -2.681
174 HD21 ASN 3 HD21 ASN 3 13.667 -0.792 -5.123
175 HD22 ASN 3 HD22 ASN 3 15.020 -1.055 -4.045
176 H GLN 4 H GLN 4 9.696 -0.200 -5.641
177 HA GLN 4 HA GLN 4 11.437 0.957 -7.701
178 HB2 GLN 4 HB2 GLN 4 10.322 -1.319 -8.553
179 HB3 GLN 4 HB3 GLN 4 8.856 -0.350 -8.632
180 HG2 GLN 4 HG2 GLN 4 10.288 1.260 -10.160
181 HG3 GLN 4 HG3 GLN 4 11.453 -0.058 -10.202
182 HE21 GLN 4 HE21 GLN 4 8.045 0.857 -10.975
183 HE22 GLN 4 HE22 GLN 4 7.857 -0.397 -12.193
184 H HIS 5 H HIS 5 10.158 2.674 -8.986
185 HA HIS 5 HA HIS 5 8.149 4.105 -7.375
186 HB2 HIS 5 HB2 HIS 5 9.205 4.574 -10.211
187 HB3 HIS 5 HB3 HIS 5 8.170 5.661 -9.297
188 HD1 HIS 5 HD1 HIS 5 9.396 6.757 -7.019
189 HD2 HIS 5 HD2 HIS 5 11.805 4.937 -9.939
190 HE1 HIS 5 HE1 HIS 5 11.720 7.769 -6.745
191 H LEU 6 H LEU 6 5.944 4.084 -7.869
192 HA LEU 6 HA LEU 6 4.891 2.728 -10.278
193 HB2 LEU 6 HB2 LEU 6 4.362 1.824 -7.413
194 HB3 LEU 6 HB3 LEU 6 3.319 1.399 -8.752
195 HG LEU 6 HG LEU 6 6.258 0.593 -8.577
196 HD11 LEU 6 HD11 LEU 6 5.359 -1.627 -7.957
197 HD12 LEU 6 HD12 LEU 6 3.727 -0.921 -7.849
198 HD13 LEU 6 HD13 LEU 6 5.000 -0.386 -6.740
199 HD21 LEU 6 HD21 LEU 6 5.598 -1.050 -10.331
200 HD22 LEU 6 HD22 LEU 6 5.382 0.607 -10.901
201 HD23 LEU 6 HD23 LEU 6 3.969 -0.339 -10.386
202 H CYS 7 HN CYS 7 3.082 3.814 -11.004
203 HA CYS 7 HA CYS 7 1.312 5.147 -9.053
204 HB2 CYS 7 HB2 CYS 7 3.267 6.662 -9.783
205 HB3 CYS 7 HB3 CYS 7 2.466 6.770 -11.337
206 H GLY 8 H GLY 8 -0.748 5.628 -9.782
207 HA2 GLY 8 HA2 GLY 8 -2.702 5.319 -10.986
208 HA3 GLY 8 HA3 GLY 8 -1.705 5.654 -12.404
209 H SER 9 H SER 9 -2.315 4.216 -13.891
210 HA SER 9 HA SER 9 -3.288 1.625 -13.611
211 HB2 SER 9 HB2 SER 9 -1.538 2.669 -15.873
212 HB3 SER 9 HB3 SER 9 -2.704 1.337 -15.949
213 HG SER 9 HG SER 9 -3.606 3.292 -16.763
214 H HIS 10 H HIS 10 0.160 2.622 -13.572
215 HA HIS 10 HA HIS 10 1.222 -0.052 -13.865
216 HB2 HIS 10 HB2 HIS 10 2.561 2.326 -12.525
217 HB3 HIS 10 HB3 HIS 10 3.314 0.977 -13.348
218 HD1 HIS 10 HD1 HIS 10 1.902 4.406 -13.990
219 HD2 HIS 10 HD2 HIS 10 3.092 0.993 -16.141
220 HE1 HIS 10 HE1 HIS 10 2.151 5.144 -16.428
221 H LEU 11 H LEU 11 0.432 2.011 -11.059
222 HA LEU 11 HA LEU 11 1.310 0.107 -9.055
223 HB2 LEU 11 HB2 LEU 11 1.147 2.531 -8.625
224 HB3 LEU 11 HB3 LEU 11 -0.590 2.499 -8.912
225 HG LEU 11 HG LEU 11 -0.924 1.100 -6.917
226 HD11 LEU 11 HD11 LEU 11 1.215 -0.138 -6.842
227 HD12 LEU 11 HD12 LEU 11 0.940 0.711 -5.321
228 HD13 LEU 11 HD13 LEU 11 2.093 1.368 -6.502
229 HD21 LEU 11 HD21 LEU 11 -0.923 3.576 -6.748
230 HD22 LEU 11 HD22 LEU 11 0.807 3.547 -6.352
231 HD23 LEU 11 HD23 LEU 11 -0.377 2.808 -5.249
232 H VAL 12 H VAL 12 -1.868 0.881 -10.486
233 HA VAL 12 HA VAL 12 -3.430 -1.074 -9.139
234 HB VAL 12 HB VAL 12 -3.655 0.198 -11.876
235 HG11 VAL 12 HG11 VAL 12 -5.990 -0.655 -12.031
236 HG12 VAL 12 HG12 VAL 12 -4.783 -1.927 -12.207
237 HG13 VAL 12 HG13 VAL 12 -5.655 -1.749 -10.669
238 HG21 VAL 12 HG21 VAL 12 -5.327 0.472 -9.336
239 HG22 VAL 12 HG22 VAL 12 -4.068 1.605 -9.858
240 HG23 VAL 12 HG23 VAL 12 -5.526 1.410 -10.834
241 H GLU 13 H GLU 13 -1.537 -1.432 -12.216
242 HA GLU 13 HA GLU 13 -2.072 -4.211 -12.562
243 HB2 GLU 13 HB2 GLU 13 -1.174 -2.691 -14.292
244 HB3 GLU 13 HB3 GLU 13 0.365 -2.605 -13.424
245 HG2 GLU 13 HG2 GLU 13 0.714 -5.020 -13.758
246 HG3 GLU 13 HG3 GLU 13 -0.887 -5.180 -14.485
247 H ALA 14 H ALA 14 0.603 -2.555 -10.764
248 HA ALA 14 HA ALA 14 1.958 -4.938 -9.990
249 HB1 ALA 14 HB1 ALA 14 2.889 -2.636 -9.880
250 HB2 ALA 14 HB2 ALA 14 1.801 -2.278 -8.513
251 HB3 ALA 14 HB3 ALA 14 3.066 -3.518 -8.361
252 H LEU 15 H LEU 15 -0.761 -3.208 -8.317
253 HA LEU 15 HA LEU 15 -0.903 -5.097 -6.129
254 HB2 LEU 15 HB2 LEU 15 -2.972 -3.249 -7.398
255 HB3 LEU 15 HB3 LEU 15 -3.396 -4.446 -6.198
256 HG LEU 15 HG LEU 15 -3.320 -2.492 -5.033
257 HD11 LEU 15 HD11 LEU 15 -0.650 -3.807 -4.398
258 HD12 LEU 15 HD12 LEU 15 -2.243 -4.380 -3.856
259 HD13 LEU 15 HD13 LEU 15 -1.628 -2.806 -3.325
260 HD21 LEU 15 HD21 LEU 15 -1.441 -0.925 -4.904
261 HD22 LEU 15 HD22 LEU 15 -2.120 -1.039 -6.532
262 HD23 LEU 15 HD23 LEU 15 -0.585 -1.852 -6.149
263 H TYR 16 H TYR 16 -2.530 -5.172 -9.367
264 HA TYR 16 HA TYR 16 -3.854 -7.675 -8.861
265 HB2 TYR 16 HB2 TYR 16 -2.983 -6.308 -11.432
266 HB3 TYR 16 HB3 TYR 16 -3.804 -7.855 -11.424
267 HD1 TYR 16 HD1 TYR 16 -5.962 -7.718 -9.548
268 HD2 TYR 16 HD2 TYR 16 -4.477 -4.689 -12.235
269 HE1 TYR 16 HE1 TYR 16 -8.216 -6.691 -9.631
270 HE2 TYR 16 HE2 TYR 16 -6.740 -3.674 -12.347
271 HH TYR 16 HH TYR 16 -8.927 -3.790 -11.635
272 H LEU 17 H LEU 17 -0.553 -7.030 -10.078
273 HA LEU 17 HA LEU 17 0.070 -9.817 -10.565
274 HB2 LEU 17 HB2 LEU 17 1.766 -7.334 -10.120
275 HB3 LEU 17 HB3 LEU 17 2.480 -8.909 -10.427
276 HG LEU 17 HG LEU 17 0.513 -7.586 -12.344
277 HD11 LEU 17 HD11 LEU 17 2.507 -6.986 -13.688
278 HD12 LEU 17 HD12 LEU 17 3.562 -7.616 -12.402
279 HD13 LEU 17 HD13 LEU 17 2.538 -6.193 -12.103
280 HD21 LEU 17 HD21 LEU 17 2.438 -9.931 -12.691
281 HD22 LEU 17 HD22 LEU 17 1.475 -9.191 -13.981
282 HD23 LEU 17 HD23 LEU 17 0.661 -10.020 -12.655
283 H VAL 18 H VAL 18 0.663 -7.716 -7.708
284 HA VAL 18 HA VAL 18 1.981 -9.860 -6.275
285 HB VAL 18 HB VAL 18 0.960 -7.158 -5.359
286 HG11 VAL 18 HG11 VAL 18 2.319 -7.502 -3.302
287 HG12 VAL 18 HG12 VAL 18 0.936 -8.591 -3.363
288 HG13 VAL 18 HG13 VAL 18 2.556 -9.202 -3.752
289 HG21 VAL 18 HG21 VAL 18 2.928 -7.154 -6.893
290 HG22 VAL 18 HG22 VAL 18 3.417 -6.689 -5.256
291 HG23 VAL 18 HG23 VAL 18 3.755 -8.320 -5.844
292 H CYS 19 HN CYS 19 -1.402 -8.588 -6.119
293 HA CYS 19 HA CYS 19 -2.113 -10.491 -4.013
294 HB2 CYS 19 HB2 CYS 19 -3.912 -8.701 -5.678
295 HB3 CYS 19 HB3 CYS 19 -4.310 -9.500 -4.168
296 H GLY 20 H GLY 20 -2.235 -10.530 -7.502
297 HA2 GLY 20 HA2 GLY 20 -2.801 -12.280 -8.949
298 HA3 GLY 20 HA3 GLY 20 -3.404 -13.230 -7.578
299 H GLU 21 H GLU 21 -5.101 -13.740 -9.100
300 HA GLU 21 HA GLU 21 -6.957 -11.903 -10.159
301 HB2 GLU 21 HB2 GLU 21 -8.354 -13.826 -10.602
302 HB3 GLU 21 HB3 GLU 21 -6.665 -14.196 -10.949
303 HG2 GLU 21 HG2 GLU 21 -6.499 -15.425 -8.781
304 HG3 GLU 21 HG3 GLU 21 -8.191 -15.055 -8.443
305 H ARG 22 H ARG 22 -6.628 -12.728 -6.869
306 HA ARG 22 HA ARG 22 -9.279 -12.492 -5.854
307 HB2 ARG 22 HB2 ARG 22 -6.599 -11.649 -4.661
308 HB3 ARG 22 HB3 ARG 22 -8.112 -11.767 -3.760
309 HG2 ARG 22 HG2 ARG 22 -8.259 -14.181 -4.254
310 HG3 ARG 22 HG3 ARG 22 -6.715 -14.116 -5.124
311 HD2 ARG 22 HD2 ARG 22 -7.102 -13.342 -2.204
312 HD3 ARG 22 HD3 ARG 22 -6.539 -14.924 -2.753
313 HE ARG 22 HE ARG 22 -4.801 -13.176 -3.988
314 HH11 ARG 22 HH11 ARG 22 -5.676 -13.402 -0.550
315 HH12 ARG 22 HH12 ARG 22 -4.014 -13.246 -0.051
316 HH21 ARG 22 HH21 ARG 22 -2.768 -12.889 -3.284
317 HH22 ARG 22 HH22 ARG 22 -2.386 -12.866 -1.580
318 H GLY 23 H GLY 23 -7.078 -10.022 -7.074
319 HA2 GLY 23 HA2 GLY 23 -7.389 -7.717 -7.398
320 HA3 GLY 23 HA3 GLY 23 -8.995 -7.819 -6.639
321 H PHE 24 H PHE 24 -8.175 -5.769 -5.691
322 HA PHE 24 HA PHE 24 -6.589 -6.182 -3.204
323 HB2 PHE 24 HB2 PHE 24 -5.364 -4.111 -3.824
324 HB3 PHE 24 HB3 PHE 24 -5.124 -5.463 -4.917
325 HD1 PHE 24 HD1 PHE 24 -7.119 -2.278 -4.592
326 HD2 PHE 24 HD2 PHE 24 -5.418 -5.211 -7.255
327 HE1 PHE 24 HE1 PHE 24 -7.655 -0.832 -6.522
328 HE2 PHE 24 HE2 PHE 24 -5.901 -3.736 -9.175
329 HZ PHE 24 HZ PHE 24 -7.046 -1.549 -8.820
330 H PHE 25 H PHE 25 -6.758 -4.632 -1.603
331 HA PHE 25 HA PHE 25 -9.357 -3.277 -1.296
332 HB2 PHE 25 HB2 PHE 25 -8.338 -4.710 0.457
333 HB3 PHE 25 HB3 PHE 25 -6.961 -3.623 0.552
334 HD1 PHE 25 HD2 PHE 25 -10.730 -3.544 0.781
335 HD2 PHE 25 HD1 PHE 25 -6.986 -2.006 2.280
336 HE1 PHE 25 HE2 PHE 25 -11.951 -2.237 2.502
337 HE2 PHE 25 HE1 PHE 25 -8.211 -0.692 3.984
338 HZ PHE 25 HZ PHE 25 -10.696 -0.807 4.105
339 H TYR 26 H TYR 26 -6.222 -2.403 -2.390
340 HA TYR 26 HA TYR 26 -5.855 0.229 -1.481
341 HB2 TYR 26 HB2 TYR 26 -4.045 -0.789 -2.559
342 HB3 TYR 26 HB3 TYR 26 -5.013 -1.314 -3.923
343 HD1 TYR 26 HD2 TYR 26 -3.923 1.909 -2.295
344 HD2 TYR 26 HD1 TYR 26 -4.810 -0.190 -5.956
345 HE1 TYR 26 HE2 TYR 26 -3.417 3.965 -3.599
346 HE2 TYR 26 HE1 TYR 26 -4.266 1.848 -7.258
347 HH TYR 26 HH TYR 26 -3.675 4.064 -7.176
348 H THR 27 H THR 27 -6.357 2.217 -2.140
349 HA THR 27 HA THR 27 -7.837 2.855 -4.542
350 HB THR 27 HB THR 27 -9.666 2.226 -3.015
351 HG1 THR 27 HG1 THR 27 -10.831 3.996 -3.494
352 HG21 THR 27 HG21 THR 27 -8.824 4.600 -1.288
353 HG22 THR 27 HG22 THR 27 -8.663 2.891 -0.822
354 HG23 THR 27 HG23 THR 27 -10.269 3.586 -1.095
355 HA PRO 28 HA PRO 28 -4.878 6.006 -4.047
356 HB2 PRO 28 HB2 PRO 28 -5.761 8.055 -5.689
357 HB3 PRO 28 HB3 PRO 28 -5.067 6.513 -6.274
358 HG2 PRO 28 HG2 PRO 28 -7.995 7.233 -5.933
359 HG3 PRO 28 HG3 PRO 28 -7.198 6.480 -7.351
360 HD2 PRO 28 HD2 PRO 28 -8.505 4.966 -5.549
361 HD3 PRO 28 HD3 PRO 28 -6.946 4.405 -6.220
362 H LYS 29 H LYS 29 -4.320 7.960 -3.041
363 HA LYS 29 HA LYS 29 -5.899 8.586 -0.801
364 HB2 LYS 29 HB2 LYS 29 -4.101 9.771 -0.058
365 HB3 LYS 29 HB3 LYS 29 -3.313 8.720 -1.210
366 HG2 LYS 29 HG2 LYS 29 -4.031 11.658 -1.574
367 HG3 LYS 29 HG3 LYS 29 -2.433 11.007 -1.280
368 HD2 LYS 29 HD2 LYS 29 -2.303 10.028 -3.481
369 HD3 LYS 29 HD3 LYS 29 -4.015 10.348 -3.798
370 HE2 LYS 29 HE2 LYS 29 -3.469 12.839 -3.386
371 HE3 LYS 29 HE3 LYS 29 -1.769 12.376 -3.524
372 HZ1 LYS 29 HZ1 LYS 29 -2.667 13.087 -5.655
373 HZ2 LYS 29 HZ2 LYS 29 -3.863 11.976 -5.593
374 HZ3 LYS 29 HZ3 LYS 29 -2.301 11.499 -5.760
375 H THR 30 H THR 30 -6.200 9.924 -3.899
376 HA THR 30 HA THR 30 -6.901 12.638 -3.407
377 HB THR 30 HB THR 30 -7.796 10.898 -5.734
378 HG1 THR 30 HG1 THR 30 -5.814 11.355 -6.629
379 HG21 THR 30 HG21 THR 30 -7.497 13.016 -7.016
380 HG22 THR 30 HG22 THR 30 -7.089 13.863 -5.503
381 HG23 THR 30 HG23 THR 30 -8.716 13.193 -5.748
382 H LYS 31 H LYS 31 -8.874 9.730 -3.734
383 HA LYS 31 HA LYS 31 -10.905 10.263 -1.975
384 HB2 LYS 31 HB2 LYS 31 -11.353 11.759 -4.474
385 HB3 LYS 31 HB3 LYS 31 -12.649 10.622 -4.176
386 HG2 LYS 31 HG2 LYS 31 -13.135 11.502 -2.008
387 HG3 LYS 31 HG3 LYS 31 -11.700 12.514 -1.987
388 HD2 LYS 31 HD2 LYS 31 -14.109 12.833 -3.825
389 HD3 LYS 31 HD3 LYS 31 -13.734 13.826 -2.422
390 HE2 LYS 31 HE2 LYS 31 -12.134 13.660 -5.017
391 HE3 LYS 31 HE3 LYS 31 -13.161 14.995 -4.493
392 HZ1 LYS 31 HZ1 LYS 31 -11.624 15.313 -2.608
393 HZ2 LYS 31 HZ2 LYS 31 -10.853 15.485 -4.040
394 HZ3 LYS 31 HZ3 LYS 31 -10.651 14.116 -3.172
395 H ARG 32 H ARG 32 -12.506 8.667 -1.910
396 HA ARG 32 HA ARG 32 -11.823 6.127 -3.202
397 HB2 ARG 32 HB2 ARG 32 -13.450 5.134 -1.744
398 HB3 ARG 32 HB3 ARG 32 -12.415 6.220 -0.819
399 HG2 ARG 32 HG2 ARG 32 -14.230 7.951 -0.862
400 HG3 ARG 32 HG3 ARG 32 -15.265 6.813 -1.753
401 HD2 ARG 32 HD2 ARG 32 -15.125 5.211 0.128
402 HD3 ARG 32 HD3 ARG 32 -14.098 6.354 1.023
403 HE ARG 32 HE ARG 32 -16.513 7.669 0.271
404 HH11 ARG 32 HH21 ARG 32 -15.517 5.167 2.512
405 HH12 ARG 32 HH22 ARG 32 -16.822 5.514 3.615
406 HH21 ARG 32 HH11 ARG 32 -18.148 8.054 1.716
407 HH22 ARG 32 HH12 ARG 32 -18.264 7.108 3.171
Start of MODEL 48
1 H1 GLY 1 1H GLY 1 -1.221 5.149 4.844
2 H2 GLY 1 2H GLY 1 -0.323 6.042 3.808
3 H3 GLY 1 3H GLY 1 0.263 4.618 4.380
4 HA2 GLY 1 HA2 GLY 1 -1.553 3.420 3.266
5 HA3 GLY 1 HA3 GLY 1 -2.022 4.975 2.559
6 H ILE 2 H ILE 2 -1.404 2.769 0.952
7 HA ILE 2 HA ILE 2 1.389 2.676 0.300
8 HB ILE 2 HB ILE 2 -0.215 0.796 0.137
9 HG12 ILE 2 HG12 ILE 2 0.654 -0.260 -1.905
10 HG13 ILE 2 HG13 ILE 2 1.328 1.280 -2.427
11 HG21 ILE 2 HG21 ILE 2 -1.168 1.970 -2.499
12 HG22 ILE 2 HG22 ILE 2 -1.633 0.431 -1.767
13 HG23 ILE 2 HG23 ILE 2 -2.108 1.936 -0.980
14 HD11 ILE 2 HD11 ILE 2 2.875 1.280 -0.505
15 HD12 ILE 2 HD12 ILE 2 2.064 -0.151 0.178
16 HD13 ILE 2 HD13 ILE 2 2.984 -0.277 -1.332
17 H VAL 3 H VAL 3 -1.264 4.267 -1.435
18 HA VAL 3 HA VAL 3 0.116 5.015 -3.789
19 HB VAL 3 HB VAL 3 -2.090 6.506 -2.320
20 HG11 VAL 3 HG11 VAL 3 -2.609 7.618 -4.464
21 HG12 VAL 3 HG12 VAL 3 -1.017 8.084 -3.881
22 HG13 VAL 3 HG13 VAL 3 -1.165 6.897 -5.199
23 HG21 VAL 3 HG21 VAL 3 -3.638 5.479 -3.846
24 HG22 VAL 3 HG22 VAL 3 -2.347 4.724 -4.783
25 HG23 VAL 3 HG23 VAL 3 -2.675 4.172 -3.131
26 H GLU 4 H GLU 4 -0.340 6.955 -0.830
27 HA GLU 4 HA GLU 4 1.341 9.107 -1.586
28 HB2 GLU 4 HB2 GLU 4 1.075 9.834 0.753
29 HB3 GLU 4 HB3 GLU 4 -0.434 9.370 -0.018
30 HG2 GLU 4 HG2 GLU 4 -0.335 7.149 1.113
31 HG3 GLU 4 HG3 GLU 4 1.150 7.657 1.930
32 H GLN 5 H GLN 5 2.508 6.051 -0.996
33 HA GLN 5 HA GLN 5 5.161 7.236 -0.270
34 HB2 GLN 5 HB2 GLN 5 4.245 5.638 1.459
35 HB3 GLN 5 HB3 GLN 5 4.347 4.348 0.245
36 HG2 GLN 5 HG2 GLN 5 6.781 4.747 0.005
37 HG3 GLN 5 HG3 GLN 5 6.689 6.127 1.109
38 HE21 GLN 5 HE21 GLN 5 5.670 5.462 3.414
39 HE22 GLN 5 HE22 GLN 5 6.332 3.964 4.047
40 H CYS 6 HN CYS 6 3.593 4.555 -2.206
41 HA CYS 6 HA CYS 6 5.913 3.950 -3.729
42 HB2 CYS 6 HB2 CYS 6 2.947 3.684 -4.304
43 HB3 CYS 6 HB3 CYS 6 4.186 3.088 -5.399
44 H CYS 7 HN CYS 7 3.573 6.567 -4.247
45 HA CYS 7 HA CYS 7 4.358 7.161 -6.972
46 HB2 CYS 7 HB2 CYS 7 3.009 8.845 -4.824
47 HB3 CYS 7 HB3 CYS 7 3.203 9.357 -6.490
48 H THR 8 H THR 8 5.660 8.167 -3.847
49 HA THR 8 HA THR 8 7.316 10.332 -5.098
50 HB THR 8 HB THR 8 7.420 11.192 -2.735
51 HG1 THR 8 HG1 THR 8 5.828 10.313 -1.314
52 HG21 THR 8 HG21 THR 8 5.773 12.083 -4.382
53 HG22 THR 8 HG22 THR 8 5.157 12.126 -2.721
54 HG23 THR 8 HG23 THR 8 4.584 10.875 -3.845
55 H SER 9 H SER 9 7.462 7.676 -2.755
56 HA SER 9 HA SER 9 10.461 7.641 -2.896
57 HB2 SER 9 HB2 SER 9 8.537 6.332 -0.926
58 HB3 SER 9 HB3 SER 9 10.298 6.194 -0.891
59 HG SER 9 HG SER 9 8.835 8.640 -0.662
60 H ILE 10 H ILE 10 11.374 5.339 -2.839
61 HA ILE 10 HA ILE 10 9.961 3.661 -4.831
62 HB ILE 10 HB ILE 10 12.467 4.201 -4.885
63 HG12 ILE 10 HG12 ILE 10 11.423 1.374 -5.135
64 HG13 ILE 10 HG13 ILE 10 11.350 2.661 -6.339
65 HG21 ILE 10 HG21 ILE 10 12.698 1.930 -2.872
66 HG22 ILE 10 HG22 ILE 10 14.004 2.861 -3.626
67 HG23 ILE 10 HG23 ILE 10 12.930 3.651 -2.469
68 HD11 ILE 10 HD11 ILE 10 13.842 2.686 -6.466
69 HD12 ILE 10 HD12 ILE 10 13.881 1.283 -5.374
70 HD13 ILE 10 HD13 ILE 10 13.114 1.145 -6.961
71 H CYS 11 HN CYS 11 8.838 1.820 -4.337
72 HA CYS 11 HA CYS 11 8.689 1.017 -1.447
73 HB2 CYS 11 HB2 CYS 11 6.357 0.782 -1.610
74 HB3 CYS 11 HB3 CYS 11 6.760 2.386 -2.209
75 H SER 12 H SER 12 7.888 -1.132 -1.053
76 HA SER 12 HA SER 12 9.276 -3.053 -2.883
77 HB2 SER 12 HB2 SER 12 10.021 -2.909 -0.542
78 HB3 SER 12 HB3 SER 12 8.399 -3.361 0.002
79 HG SER 12 HG SER 12 9.982 -5.132 -0.179
80 H LEU 13 H LEU 13 8.395 -5.067 -3.472
81 HA LEU 13 HA LEU 13 5.559 -5.215 -3.994
82 HB2 LEU 13 HB2 LEU 13 7.533 -7.518 -3.825
83 HB3 LEU 13 HB3 LEU 13 5.979 -7.507 -4.644
84 HG LEU 13 HG LEU 13 8.498 -6.015 -5.461
85 HD11 LEU 13 HD11 LEU 13 6.901 -8.228 -6.824
86 HD12 LEU 13 HD12 LEU 13 8.443 -8.437 -5.963
87 HD13 LEU 13 HD13 LEU 13 8.382 -7.468 -7.441
88 HD21 LEU 13 HD21 LEU 13 5.772 -5.904 -6.798
89 HD22 LEU 13 HD22 LEU 13 7.283 -5.268 -7.477
90 HD23 LEU 13 HD23 LEU 13 6.617 -4.552 -6.010
91 H TYR 14 H TYR 14 7.516 -6.198 -1.221
92 HA TYR 14 HA TYR 14 5.525 -7.740 0.159
93 HB2 TYR 14 HB2 TYR 14 7.907 -7.710 0.749
94 HB3 TYR 14 HB3 TYR 14 7.805 -6.004 1.183
95 HD1 TYR 14 HD2 TYR 14 6.476 -9.406 2.063
96 HD2 TYR 14 HD1 TYR 14 7.140 -5.356 3.391
97 HE1 TYR 14 HE2 TYR 14 5.788 -10.047 4.365
98 HE2 TYR 14 HE1 TYR 14 6.452 -5.992 5.690
99 HH TYR 14 HH TYR 14 5.455 -9.342 6.531
100 H GLN 15 H GLN 15 5.934 -4.241 -0.206
101 HA GLN 15 HA GLN 15 3.941 -3.573 1.879
102 HB2 GLN 15 HB2 GLN 15 5.273 -1.836 -0.241
103 HB3 GLN 15 HB3 GLN 15 4.228 -1.267 1.053
104 HG2 GLN 15 HG2 GLN 15 5.824 -2.016 2.758
105 HG3 GLN 15 HG3 GLN 15 6.885 -2.699 1.524
106 HE21 GLN 15 HE21 GLN 15 5.897 0.284 3.117
107 HE22 GLN 15 HE22 GLN 15 6.936 1.337 2.165
108 H LEU 16 H LEU 16 4.072 -3.897 -1.698
109 HA LEU 16 HA LEU 16 1.333 -3.133 -2.152
110 HB2 LEU 16 HB2 LEU 16 3.024 -5.188 -3.654
111 HB3 LEU 16 HB3 LEU 16 1.533 -4.480 -4.220
112 HG LEU 16 HG LEU 16 4.151 -2.993 -3.758
113 HD11 LEU 16 HD11 LEU 16 2.656 -3.694 -6.319
114 HD12 LEU 16 HD12 LEU 16 4.155 -4.443 -5.733
115 HD13 LEU 16 HD13 LEU 16 4.153 -2.735 -6.201
116 HD21 LEU 16 HD21 LEU 16 2.300 -1.466 -3.292
117 HD22 LEU 16 HD22 LEU 16 1.490 -1.953 -4.802
118 HD23 LEU 16 HD23 LEU 16 3.033 -1.068 -4.842
119 H GLU 17 H GLU 17 2.739 -6.361 -1.451
120 HA GLU 17 HA GLU 17 0.264 -7.766 -1.250
121 HB2 GLU 17 HB2 GLU 17 2.970 -8.262 0.050
122 HB3 GLU 17 HB3 GLU 17 1.596 -9.355 0.215
123 HG2 GLU 17 HG2 GLU 17 1.478 -9.580 -2.265
124 HG3 GLU 17 HG3 GLU 17 2.928 -8.598 -2.410
125 H ASN 18 H ASN 18 1.914 -5.776 1.237
126 HA ASN 18 HA ASN 18 0.497 -6.663 3.506
127 HB2 ASN 18 HB2 ASN 18 2.473 -5.244 3.617
128 HB3 ASN 18 HB3 ASN 18 1.605 -3.923 2.834
129 HD21 ASN 18 HD22 ASN 18 0.316 -2.524 4.072
130 HD22 ASN 18 HD21 ASN 18 0.106 -2.740 5.801
131 H TYR 19 H TYR 19 -0.562 -4.407 0.980
132 HA TYR 19 HA TYR 19 -3.102 -3.803 2.420
133 HB2 TYR 19 HB2 TYR 19 -1.742 -2.674 -0.038
134 HB3 TYR 19 HB3 TYR 19 -3.392 -2.267 0.407
135 HD1 TYR 19 HD1 TYR 19 -3.887 -1.214 2.668
136 HD2 TYR 19 HD2 TYR 19 0.116 -1.654 1.153
137 HE1 TYR 19 HE1 TYR 19 -3.097 0.495 4.284
138 HE2 TYR 19 HE2 TYR 19 0.922 0.074 2.755
139 HH TYR 19 HH TYR 19 -1.288 1.661 5.105
140 H CYS 20 HN CYS 20 -2.119 -6.335 0.505
141 HA CYS 20 HA CYS 20 -4.647 -6.615 -0.983
142 HB2 CYS 20 HB2 CYS 20 -2.206 -8.371 -0.787
143 HB3 CYS 20 HB3 CYS 20 -3.654 -8.786 -1.706
144 H ASN 21 H ASN 21 -6.035 -8.412 -0.778
145 HA ASN 21 HA ASN 21 -6.491 -9.223 2.059
146 HB2 ASN 21 HB2 ASN 21 -8.892 -9.459 1.284
147 HB3 ASN 21 HB3 ASN 21 -8.248 -7.826 1.385
148 HD21 ASN 21 HD22 ASN 21 -7.859 -10.202 -1.265
149 HD22 ASN 21 HD21 ASN 21 -8.720 -9.213 -2.465
150 H1 PHE 1 H1 PHE 1 16.762 -4.125 -3.678
151 H2 PHE 1 H2 PHE 1 16.940 -4.431 -2.072
152 H3 PHE 1 H3 PHE 1 15.623 -3.612 -2.620
153 HA PHE 1 HA PHE 1 16.256 -6.420 -3.251
154 HB2 PHE 1 HB2 PHE 1 14.055 -5.343 -1.434
155 HB3 PHE 1 HB3 PHE 1 14.396 -7.041 -1.787
156 HD1 PHE 1 HD1 PHE 1 16.718 -7.992 -1.154
157 HD2 PHE 1 HD2 PHE 1 15.085 -4.329 0.469
158 HE1 PHE 1 HE1 PHE 1 18.289 -8.120 0.765
159 HE2 PHE 1 HE2 PHE 1 16.643 -4.485 2.395
160 HZ PHE 1 HZ PHE 1 18.254 -6.376 2.550
161 H VAL 2 H VAL 2 13.135 -6.666 -3.318
162 HA VAL 2 HA VAL 2 12.846 -5.877 -6.154
163 HB VAL 2 HB VAL 2 10.600 -6.988 -5.976
164 HG11 VAL 2 HG11 VAL 2 12.584 -8.033 -6.984
165 HG12 VAL 2 HG12 VAL 2 13.061 -8.680 -5.402
166 HG13 VAL 2 HG13 VAL 2 11.559 -9.229 -6.186
167 HG21 VAL 2 HG21 VAL 2 10.279 -7.016 -3.484
168 HG22 VAL 2 HG22 VAL 2 10.207 -8.625 -4.199
169 HG23 VAL 2 HG23 VAL 2 11.668 -8.120 -3.331
170 H ASN 3 H ASN 3 12.953 -3.686 -5.988
171 HA ASN 3 HA ASN 3 10.677 -2.276 -4.664
172 HB2 ASN 3 HB2 ASN 3 13.604 -1.475 -4.931
173 HB3 ASN 3 HB3 ASN 3 12.339 -0.447 -4.259
174 HD21 ASN 3 HD22 ASN 3 11.251 -1.102 -2.258
175 HD22 ASN 3 HD21 ASN 3 12.153 -2.102 -1.132
176 H GLN 4 H GLN 4 9.655 -0.615 -5.731
177 HA GLN 4 HA GLN 4 10.620 0.371 -8.363
178 HB2 GLN 4 HB2 GLN 4 7.938 -1.032 -7.920
179 HB3 GLN 4 HB3 GLN 4 8.341 -0.072 -9.339
180 HG2 GLN 4 HG2 GLN 4 10.221 -1.647 -9.853
181 HG3 GLN 4 HG3 GLN 4 9.702 -2.667 -8.505
182 HE21 GLN 4 HE22 GLN 4 8.458 -1.231 -11.600
183 HE22 GLN 4 HE21 GLN 4 7.367 -2.575 -11.903
184 H HIS 5 H HIS 5 9.362 2.222 -9.153
185 HA HIS 5 HA HIS 5 7.846 3.725 -7.049
186 HB2 HIS 5 HB2 HIS 5 9.163 4.630 -9.653
187 HB3 HIS 5 HB3 HIS 5 8.071 5.622 -8.700
188 HD1 HIS 5 HD1 HIS 5 9.002 6.465 -6.261
189 HD2 HIS 5 HD2 HIS 5 11.718 4.605 -8.880
190 HE1 HIS 5 HE1 HIS 5 11.329 7.179 -5.513
191 H LEU 6 H LEU 6 5.663 3.926 -7.365
192 HA LEU 6 HA LEU 6 4.376 3.191 -9.943
193 HB2 LEU 6 HB2 LEU 6 4.124 1.688 -7.305
194 HB3 LEU 6 HB3 LEU 6 2.892 1.587 -8.549
195 HG LEU 6 HG LEU 6 5.776 0.770 -9.049
196 HD11 LEU 6 HD11 LEU 6 3.402 -0.871 -8.120
197 HD12 LEU 6 HD12 LEU 6 4.917 -0.581 -7.249
198 HD13 LEU 6 HD13 LEU 6 4.926 -1.555 -8.731
199 HD21 LEU 6 HD21 LEU 6 3.168 0.185 -10.534
200 HD22 LEU 6 HD22 LEU 6 4.764 -0.482 -10.940
201 HD23 LEU 6 HD23 LEU 6 4.468 1.257 -11.099
202 H CYS 7 HN CYS 7 2.464 4.293 -10.239
203 HA CYS 7 HA CYS 7 1.110 5.473 -7.894
204 HB2 CYS 7 HB2 CYS 7 2.999 6.983 -8.869
205 HB3 CYS 7 HB3 CYS 7 1.905 7.241 -10.226
206 H GLY 8 H GLY 8 -1.008 6.156 -8.223
207 HA2 GLY 8 HA2 GLY 8 -3.159 6.055 -9.094
208 HA3 GLY 8 HA3 GLY 8 -2.372 6.556 -10.591
209 H SER 9 H SER 9 -3.280 5.399 -12.160
210 HA SER 9 HA SER 9 -4.421 2.832 -11.950
211 HB2 SER 9 HB2 SER 9 -3.303 4.206 -14.409
212 HB3 SER 9 HB3 SER 9 -4.472 2.863 -14.386
213 HG SER 9 HG SER 9 -5.485 4.947 -14.583
214 H HIS 10 H HIS 10 -0.979 3.634 -12.698
215 HA HIS 10 HA HIS 10 -0.336 0.890 -13.410
216 HB2 HIS 10 HB2 HIS 10 1.367 3.264 -12.558
217 HB3 HIS 10 HB3 HIS 10 2.007 1.712 -13.080
218 HD1 HIS 10 HD1 HIS 10 -0.096 1.333 -15.600
219 HD2 HIS 10 HD2 HIS 10 2.362 4.628 -14.633
220 HE1 HIS 10 HE1 HIS 10 0.352 2.563 -17.774
221 H LEU 11 H LEU 11 -0.418 2.651 -10.319
222 HA LEU 11 HA LEU 11 0.773 0.459 -8.809
223 HB2 LEU 11 HB2 LEU 11 0.818 2.759 -8.012
224 HB3 LEU 11 HB3 LEU 11 -0.944 2.843 -7.986
225 HG LEU 11 HG LEU 11 -1.051 1.240 -6.151
226 HD11 LEU 11 HD11 LEU 11 0.982 0.485 -4.977
227 HD12 LEU 11 HD12 LEU 11 1.997 1.167 -6.258
228 HD13 LEU 11 HD13 LEU 11 0.913 -0.197 -6.608
229 HD21 LEU 11 HD21 LEU 11 1.048 3.406 -5.658
230 HD22 LEU 11 HD22 LEU 11 -0.017 2.673 -4.440
231 HD23 LEU 11 HD23 LEU 11 -0.696 3.678 -5.742
232 H VAL 12 H VAL 12 -2.563 1.409 -9.604
233 HA VAL 12 HA VAL 12 -3.891 -0.743 -8.258
234 HB VAL 12 HB VAL 12 -4.706 0.825 -10.729
235 HG11 VAL 12 HG11 VAL 12 -6.415 -1.110 -9.113
236 HG12 VAL 12 HG12 VAL 12 -7.014 0.025 -10.338
237 HG13 VAL 12 HG13 VAL 12 -5.940 -1.290 -10.816
238 HG21 VAL 12 HG21 VAL 12 -4.561 2.179 -8.674
239 HG22 VAL 12 HG22 VAL 12 -6.250 1.948 -9.132
240 HG23 VAL 12 HG23 VAL 12 -5.546 0.998 -7.807
241 H GLU 13 H GLU 13 -2.643 -0.578 -11.662
242 HA GLU 13 HA GLU 13 -3.198 -3.270 -12.399
243 HB2 GLU 13 HB2 GLU 13 -0.977 -1.356 -13.207
244 HB3 GLU 13 HB3 GLU 13 -1.141 -2.971 -13.898
245 HG2 GLU 13 HG2 GLU 13 -3.352 -2.452 -14.767
246 HG3 GLU 13 HG3 GLU 13 -3.315 -0.848 -14.052
247 H ALA 14 H ALA 14 -0.226 -1.911 -10.821
248 HA ALA 14 HA ALA 14 1.181 -4.363 -10.697
249 HB1 ALA 14 HB1 ALA 14 2.594 -3.178 -9.060
250 HB2 ALA 14 HB2 ALA 14 2.219 -2.149 -10.452
251 HB3 ALA 14 HB3 ALA 14 1.368 -1.904 -8.908
252 H LEU 15 H LEU 15 -1.046 -2.896 -8.273
253 HA LEU 15 HA LEU 15 -0.734 -4.921 -6.265
254 HB2 LEU 15 HB2 LEU 15 -3.016 -3.061 -7.015
255 HB3 LEU 15 HB3 LEU 15 -3.116 -4.156 -5.641
256 HG LEU 15 HG LEU 15 -0.797 -2.217 -5.866
257 HD11 LEU 15 HD11 LEU 15 -2.018 -0.606 -4.492
258 HD12 LEU 15 HD12 LEU 15 -3.462 -1.632 -4.516
259 HD13 LEU 15 HD13 LEU 15 -2.890 -0.877 -6.012
260 HD21 LEU 15 HD21 LEU 15 -0.724 -2.489 -3.433
261 HD22 LEU 15 HD22 LEU 15 -0.699 -4.096 -4.191
262 HD23 LEU 15 HD23 LEU 15 -2.191 -3.484 -3.460
263 H TYR 16 H TYR 16 -2.960 -4.830 -9.094
264 HA TYR 16 HA TYR 16 -4.074 -7.459 -8.486
265 HB2 TYR 16 HB2 TYR 16 -4.293 -5.491 -10.743
266 HB3 TYR 16 HB3 TYR 16 -4.668 -7.169 -11.082
267 HD1 TYR 16 HD2 TYR 16 -6.467 -8.378 -9.894
268 HD2 TYR 16 HD1 TYR 16 -5.821 -4.159 -9.330
269 HE1 TYR 16 HE2 TYR 16 -8.741 -8.170 -8.910
270 HE2 TYR 16 HE1 TYR 16 -8.091 -3.942 -8.327
271 HH TYR 16 HH TYR 16 -10.297 -6.757 -7.979
272 H LEU 17 H LEU 17 -1.299 -6.415 -10.486
273 HA LEU 17 HA LEU 17 -0.812 -9.055 -11.588
274 HB2 LEU 17 HB2 LEU 17 0.914 -6.572 -11.234
275 HB3 LEU 17 HB3 LEU 17 1.524 -8.030 -11.994
276 HG LEU 17 HG LEU 17 -0.948 -6.590 -13.030
277 HD11 LEU 17 HD11 LEU 17 0.982 -5.052 -13.107
278 HD12 LEU 17 HD12 LEU 17 0.537 -5.584 -14.737
279 HD13 LEU 17 HD13 LEU 17 1.954 -6.296 -13.922
280 HD21 LEU 17 HD21 LEU 17 -0.755 -8.924 -13.785
281 HD22 LEU 17 HD22 LEU 17 0.915 -8.636 -14.309
282 HD23 LEU 17 HD23 LEU 17 -0.436 -7.812 -15.115
283 H VAL 18 H VAL 18 0.498 -7.389 -8.715
284 HA VAL 18 HA VAL 18 2.248 -9.551 -7.960
285 HB VAL 18 HB VAL 18 1.186 -7.144 -6.445
286 HG11 VAL 18 HG11 VAL 18 1.703 -8.803 -4.716
287 HG12 VAL 18 HG12 VAL 18 3.265 -9.164 -5.482
288 HG13 VAL 18 HG13 VAL 18 2.964 -7.573 -4.753
289 HG21 VAL 18 HG21 VAL 18 3.969 -7.826 -7.525
290 HG22 VAL 18 HG22 VAL 18 2.811 -6.764 -8.342
291 HG23 VAL 18 HG23 VAL 18 3.460 -6.309 -6.764
292 H CYS 19 HN CYS 19 -1.031 -8.590 -6.714
293 HA CYS 19 HA CYS 19 -1.033 -10.953 -4.949
294 HB2 CYS 19 HB2 CYS 19 -2.992 -8.659 -5.284
295 HB3 CYS 19 HB3 CYS 19 -3.027 -9.871 -4.003
296 H GLY 20 H GLY 20 -2.180 -10.384 -8.105
297 HA2 GLY 20 HA2 GLY 20 -3.307 -11.862 -9.522
298 HA3 GLY 20 HA3 GLY 20 -3.712 -12.898 -8.137
299 H GLU 21 H GLU 21 -5.760 -13.001 -9.299
300 HA GLU 21 HA GLU 21 -7.509 -10.826 -9.699
301 HB2 GLU 21 HB2 GLU 21 -9.239 -12.472 -10.038
302 HB3 GLU 21 HB3 GLU 21 -7.735 -13.002 -10.790
303 HG2 GLU 21 HG2 GLU 21 -7.323 -14.532 -8.850
304 HG3 GLU 21 HG3 GLU 21 -8.841 -14.004 -8.118
305 H ARG 22 H ARG 22 -6.609 -12.132 -6.685
306 HA ARG 22 HA ARG 22 -8.878 -11.738 -5.029
307 HB2 ARG 22 HB2 ARG 22 -5.919 -11.228 -4.479
308 HB3 ARG 22 HB3 ARG 22 -7.188 -11.326 -3.250
309 HG2 ARG 22 HG2 ARG 22 -7.670 -13.677 -3.970
310 HG3 ARG 22 HG3 ARG 22 -6.282 -13.594 -5.071
311 HD2 ARG 22 HD2 ARG 22 -6.189 -13.212 -2.047
312 HD3 ARG 22 HD3 ARG 22 -5.736 -14.678 -2.902
313 HE ARG 22 HE ARG 22 -4.001 -13.231 -4.110
314 HH11 ARG 22 HH11 ARG 22 -5.034 -12.028 -0.942
315 HH12 ARG 22 HH12 ARG 22 -3.393 -11.708 -0.448
316 HH21 ARG 22 HH21 ARG 22 -1.961 -12.752 -3.442
317 HH22 ARG 22 HH22 ARG 22 -1.681 -12.001 -1.895
318 H GLY 23 H GLY 23 -6.636 -9.377 -6.464
319 HA2 GLY 23 HA2 GLY 23 -6.612 -7.052 -6.450
320 HA3 GLY 23 HA3 GLY 23 -8.263 -7.076 -5.810
321 H PHE 24 H PHE 24 -7.725 -5.311 -4.478
322 HA PHE 24 HA PHE 24 -6.245 -5.962 -2.006
323 HB2 PHE 24 HB2 PHE 24 -4.995 -3.858 -2.216
324 HB3 PHE 24 HB3 PHE 24 -4.705 -4.938 -3.577
325 HD1 PHE 24 HD2 PHE 24 -5.511 -4.440 -5.840
326 HD2 PHE 24 HD1 PHE 24 -6.197 -1.723 -2.567
327 HE1 PHE 24 HE2 PHE 24 -6.124 -2.667 -7.443
328 HE2 PHE 24 HE1 PHE 24 -6.817 0.060 -4.186
329 HZ PHE 24 HZ PHE 24 -6.809 -0.421 -6.622
330 H PHE 25 H PHE 25 -6.574 -4.576 -0.224
331 HA PHE 25 HA PHE 25 -9.431 -3.984 0.075
332 HB2 PHE 25 HB2 PHE 25 -8.133 -5.417 1.636
333 HB3 PHE 25 HB3 PHE 25 -7.116 -4.048 2.049
334 HD1 PHE 25 HD2 PHE 25 -10.625 -5.348 2.173
335 HD2 PHE 25 HD1 PHE 25 -7.816 -2.470 3.729
336 HE1 PHE 25 HE2 PHE 25 -12.243 -4.726 3.951
337 HE2 PHE 25 HE1 PHE 25 -9.440 -1.843 5.501
338 HZ PHE 25 HZ PHE 25 -11.659 -2.962 5.610
339 H TYR 26 H TYR 26 -6.424 -2.159 -0.074
340 HA TYR 26 HA TYR 26 -7.234 0.246 1.191
341 HB2 TYR 26 HB2 TYR 26 -4.917 -0.519 0.619
342 HB3 TYR 26 HB3 TYR 26 -5.223 -0.146 -1.069
343 HD1 TYR 26 HD1 TYR 26 -4.978 1.317 2.362
344 HD2 TYR 26 HD2 TYR 26 -4.964 2.111 -1.877
345 HE1 TYR 26 HE1 TYR 26 -4.225 3.649 2.803
346 HE2 TYR 26 HE2 TYR 26 -4.201 4.439 -1.429
347 HH TYR 26 HH TYR 26 -3.644 6.004 0.150
348 H THR 27 H THR 27 -7.914 2.279 0.364
349 HA THR 27 HA THR 27 -9.110 2.280 -2.370
350 HB THR 27 HB THR 27 -10.840 2.413 -0.707
351 HG1 THR 27 HG1 THR 27 -11.777 4.215 -1.671
352 HG21 THR 27 HG21 THR 27 -9.606 3.630 1.137
353 HG22 THR 27 HG22 THR 27 -11.181 4.323 0.724
354 HG23 THR 27 HG23 THR 27 -9.696 5.114 0.159
355 HA PRO 28 HA PRO 28 -5.712 5.011 -2.930
356 HB2 PRO 28 HB2 PRO 28 -6.010 5.767 -5.538
357 HB3 PRO 28 HB3 PRO 28 -5.576 4.098 -5.046
358 HG2 PRO 28 HG2 PRO 28 -8.331 5.172 -5.743
359 HG3 PRO 28 HG3 PRO 28 -7.542 3.682 -6.345
360 HD2 PRO 28 HD2 PRO 28 -9.302 3.636 -4.272
361 HD3 PRO 28 HD3 PRO 28 -7.878 2.555 -4.311
362 H LYS 29 H LYS 29 -5.261 7.143 -2.498
363 HA LYS 29 HA LYS 29 -7.422 9.020 -2.153
364 HB2 LYS 29 HB2 LYS 29 -5.792 10.541 -1.358
365 HB3 LYS 29 HB3 LYS 29 -5.396 8.934 -0.744
366 HG2 LYS 29 HG2 LYS 29 -3.702 8.763 -2.668
367 HG3 LYS 29 HG3 LYS 29 -3.986 10.481 -2.957
368 HD2 LYS 29 HD2 LYS 29 -2.873 9.174 -0.440
369 HD3 LYS 29 HD3 LYS 29 -2.005 10.195 -1.603
370 HE2 LYS 29 HE2 LYS 29 -3.485 12.118 -0.972
371 HE3 LYS 29 HE3 LYS 29 -4.281 11.091 0.226
372 HZ1 LYS 29 HZ1 LYS 29 -1.417 11.869 0.256
373 HZ2 LYS 29 HZ2 LYS 29 -2.092 10.846 1.342
374 HZ3 LYS 29 HZ3 LYS 29 -2.568 12.413 1.273
375 H THR 30 H THR 30 -5.692 8.175 -4.917
376 HA THR 30 HA THR 30 -6.723 10.519 -6.471
377 HB THR 30 HB THR 30 -4.403 10.339 -6.844
378 HG1 THR 30 HG1 THR 30 -4.517 10.127 -9.056
379 HG21 THR 30 HG21 THR 30 -3.210 8.466 -7.737
380 HG22 THR 30 HG22 THR 30 -4.665 7.474 -7.841
381 HG23 THR 30 HG23 THR 30 -4.004 7.913 -6.258
382 H LYS 31 H LYS 31 -8.836 9.905 -6.457
383 HA LYS 31 HA LYS 31 -9.630 7.227 -7.375
384 HB2 LYS 31 HB2 LYS 31 -10.786 8.438 -5.527
385 HB3 LYS 31 HB3 LYS 31 -11.336 9.654 -6.688
386 HG2 LYS 31 HG2 LYS 31 -12.591 7.923 -7.935
387 HG3 LYS 31 HG3 LYS 31 -11.970 6.668 -6.852
388 HD2 LYS 31 HD2 LYS 31 -13.098 7.765 -4.930
389 HD3 LYS 31 HD3 LYS 31 -13.725 9.021 -6.015
390 HE2 LYS 31 HE2 LYS 31 -14.919 7.271 -7.334
391 HE3 LYS 31 HE3 LYS 31 -14.280 6.025 -6.257
392 HZ1 LYS 31 HZ1 LYS 31 -16.538 6.677 -5.628
393 HZ2 LYS 31 HZ2 LYS 31 -16.091 8.231 -5.418
394 HZ3 LYS 31 HZ3 LYS 31 -15.502 7.065 -4.427
395 H ARG 32 H ARG 32 -10.326 6.675 -9.361
396 HA ARG 32 HA ARG 32 -10.533 8.681 -11.581
397 HB2 ARG 32 HB2 ARG 32 -8.790 6.201 -11.392
398 HB3 ARG 32 HB3 ARG 32 -9.181 6.967 -12.926
399 HG2 ARG 32 HG2 ARG 32 -7.876 8.831 -12.564
400 HG3 ARG 32 HG3 ARG 32 -7.986 8.760 -10.814
401 HD2 ARG 32 HD2 ARG 32 -6.396 6.767 -12.459
402 HD3 ARG 32 HD3 ARG 32 -5.721 8.221 -11.717
403 HE ARG 32 HE ARG 32 -6.337 7.375 -9.513
404 HH11 ARG 32 HH21 ARG 32 -6.217 4.853 -11.979
405 HH12 ARG 32 HH22 ARG 32 -6.589 3.622 -10.799
406 HH21 ARG 32 HH11 ARG 32 -6.650 5.810 -8.145
407 HH22 ARG 32 HH12 ARG 32 -6.599 4.122 -8.624
Start of MODEL 49
1 H1 GLY 1 1H GLY 1 -2.555 6.062 2.104
2 H2 GLY 1 2H GLY 1 -2.877 4.457 2.230
3 H3 GLY 1 3H GLY 1 -4.057 5.555 2.515
4 HA2 GLY 1 HA2 GLY 1 -4.393 4.555 0.340
5 HA3 GLY 1 HA3 GLY 1 -4.044 6.286 0.223
6 H ILE 2 H ILE 2 -3.092 3.176 -0.798
7 HA ILE 2 HA ILE 2 -0.306 3.299 -0.923
8 HB ILE 2 HB ILE 2 -1.690 1.295 -1.238
9 HG12 ILE 2 HG12 ILE 2 0.245 1.688 -3.540
10 HG13 ILE 2 HG13 ILE 2 0.725 1.424 -1.858
11 HG21 ILE 2 HG21 ILE 2 -3.399 2.241 -2.814
12 HG22 ILE 2 HG22 ILE 2 -2.182 2.171 -4.112
13 HG23 ILE 2 HG23 ILE 2 -2.747 0.692 -3.319
14 HD11 ILE 2 HD11 ILE 2 -0.466 -0.774 -1.889
15 HD12 ILE 2 HD12 ILE 2 -0.819 -0.517 -3.617
16 HD13 ILE 2 HD13 ILE 2 0.854 -0.659 -3.056
17 H VAL 3 H VAL 3 -2.520 4.753 -3.260
18 HA VAL 3 HA VAL 3 -0.685 5.014 -5.421
19 HB VAL 3 HB VAL 3 -3.059 6.734 -4.653
20 HG11 VAL 3 HG11 VAL 3 -3.099 7.543 -7.010
21 HG12 VAL 3 HG12 VAL 3 -1.688 8.131 -6.128
22 HG13 VAL 3 HG13 VAL 3 -1.516 6.784 -7.280
23 HG21 VAL 3 HG21 VAL 3 -4.225 5.472 -6.407
24 HG22 VAL 3 HG22 VAL 3 -2.725 4.607 -6.801
25 HG23 VAL 3 HG23 VAL 3 -3.516 4.341 -5.245
26 H GLU 4 H GLU 4 -1.199 7.154 -2.605
27 HA GLU 4 HA GLU 4 0.707 9.157 -3.609
28 HB2 GLU 4 HB2 GLU 4 -0.893 8.949 -1.033
29 HB3 GLU 4 HB3 GLU 4 0.216 10.280 -1.421
30 HG2 GLU 4 HG2 GLU 4 -1.077 10.746 -3.509
31 HG3 GLU 4 HG3 GLU 4 -2.251 9.515 -3.015
32 H GLN 5 H GLN 5 1.160 6.164 -2.193
33 HA GLN 5 HA GLN 5 3.706 6.989 -0.867
34 HB2 GLN 5 HB2 GLN 5 2.225 5.421 0.369
35 HB3 GLN 5 HB3 GLN 5 2.329 4.265 -0.962
36 HG2 GLN 5 HG2 GLN 5 4.747 4.029 -0.634
37 HG3 GLN 5 HG3 GLN 5 4.731 5.307 0.593
38 HE21 GLN 5 HE21 GLN 5 3.150 4.802 2.562
39 HE22 GLN 5 HE22 GLN 5 3.194 3.129 3.099
40 H CYS 6 HN CYS 6 2.517 4.557 -3.287
41 HA CYS 6 HA CYS 6 5.195 3.964 -4.120
42 HB2 CYS 6 HB2 CYS 6 2.548 3.358 -5.460
43 HB3 CYS 6 HB3 CYS 6 4.101 2.603 -5.826
44 H CYS 7 HN CYS 7 2.861 6.302 -5.501
45 HA CYS 7 HA CYS 7 4.477 6.736 -7.908
46 HB2 CYS 7 HB2 CYS 7 2.506 8.577 -6.473
47 HB3 CYS 7 HB3 CYS 7 3.185 8.882 -8.058
48 H THR 8 H THR 8 4.234 8.344 -4.745
49 HA THR 8 HA THR 8 6.051 10.489 -5.296
50 HB THR 8 HB THR 8 5.031 9.485 -2.612
51 HG1 THR 8 HG1 THR 8 3.208 10.537 -3.036
52 HG21 THR 8 HG21 THR 8 5.844 12.265 -3.586
53 HG22 THR 8 HG22 THR 8 6.698 11.277 -2.380
54 HG23 THR 8 HG23 THR 8 5.086 11.906 -2.017
55 H SER 9 H SER 9 6.432 7.396 -3.567
56 HA SER 9 HA SER 9 9.381 7.797 -3.439
57 HB2 SER 9 HB2 SER 9 8.246 8.668 -1.344
58 HB3 SER 9 HB3 SER 9 7.696 7.013 -1.037
59 HG SER 9 HG SER 9 9.718 7.618 0.029
60 H ILE 10 H ILE 10 9.991 5.601 -1.925
61 HA ILE 10 HA ILE 10 9.737 3.580 -4.034
62 HB ILE 10 HB ILE 10 11.419 3.653 -1.515
63 HG12 ILE 10 HG12 ILE 10 12.015 4.035 -4.494
64 HG13 ILE 10 HG13 ILE 10 12.015 5.302 -3.266
65 HG21 ILE 10 HG21 ILE 10 11.467 1.588 -3.769
66 HG22 ILE 10 HG22 ILE 10 12.593 1.671 -2.392
67 HG23 ILE 10 HG23 ILE 10 10.912 1.289 -2.105
68 HD11 ILE 10 HD11 ILE 10 14.010 3.034 -3.536
69 HD12 ILE 10 HD12 ILE 10 14.279 4.761 -3.758
70 HD13 ILE 10 HD13 ILE 10 13.934 4.134 -2.135
71 H CYS 11 HN CYS 11 8.568 1.927 -4.135
72 HA CYS 11 HA CYS 11 7.253 0.705 -1.772
73 HB2 CYS 11 HB2 CYS 11 6.179 1.286 -4.508
74 HB3 CYS 11 HB3 CYS 11 5.654 -0.183 -3.705
75 H SER 12 H SER 12 6.693 -1.605 -2.306
76 HA SER 12 HA SER 12 8.659 -3.222 -3.730
77 HB2 SER 12 HB2 SER 12 9.981 -2.367 -1.763
78 HB3 SER 12 HB3 SER 12 8.740 -3.012 -0.684
79 HG SER 12 HG SER 12 10.458 -4.453 -2.441
80 H LEU 13 H LEU 13 8.194 -5.600 -3.198
81 HA LEU 13 HA LEU 13 5.408 -6.072 -3.488
82 HB2 LEU 13 HB2 LEU 13 7.718 -7.910 -2.783
83 HB3 LEU 13 HB3 LEU 13 6.047 -8.453 -2.942
84 HG LEU 13 HG LEU 13 5.952 -7.659 -5.267
85 HD11 LEU 13 HD11 LEU 13 8.924 -7.089 -4.925
86 HD12 LEU 13 HD12 LEU 13 7.657 -5.932 -5.407
87 HD13 LEU 13 HD13 LEU 13 8.105 -7.237 -6.497
88 HD21 LEU 13 HD21 LEU 13 7.312 -9.488 -6.190
89 HD22 LEU 13 HD22 LEU 13 6.477 -9.999 -4.719
90 HD23 LEU 13 HD23 LEU 13 8.212 -9.609 -4.658
91 H TYR 14 H TYR 14 7.362 -6.047 -0.522
92 HA TYR 14 HA TYR 14 5.392 -7.059 1.289
93 HB2 TYR 14 HB2 TYR 14 7.818 -6.777 1.731
94 HB3 TYR 14 HB3 TYR 14 7.628 -5.026 1.696
95 HD1 TYR 14 HD1 TYR 14 6.658 -8.150 3.511
96 HD2 TYR 14 HD2 TYR 14 6.894 -3.844 3.666
97 HE1 TYR 14 HE1 TYR 14 6.150 -8.211 5.949
98 HE2 TYR 14 HE2 TYR 14 6.385 -3.903 6.098
99 HH TYR 14 HH TYR 14 5.937 -5.229 7.932
100 H GLN 15 H GLN 15 5.768 -3.864 -0.159
101 HA GLN 15 HA GLN 15 3.721 -2.585 1.588
102 HB2 GLN 15 HB2 GLN 15 5.439 -1.554 -0.712
103 HB3 GLN 15 HB3 GLN 15 4.272 -0.576 0.165
104 HG2 GLN 15 HG2 GLN 15 5.529 -0.647 2.192
105 HG3 GLN 15 HG3 GLN 15 6.538 -1.980 1.640
106 HE21 GLN 15 HE21 GLN 15 5.815 1.509 0.891
107 HE22 GLN 15 HE22 GLN 15 7.426 1.795 0.219
108 H LEU 16 H LEU 16 4.106 -3.830 -1.741
109 HA LEU 16 HA LEU 16 1.530 -2.982 -2.728
110 HB2 LEU 16 HB2 LEU 16 3.364 -5.306 -3.493
111 HB3 LEU 16 HB3 LEU 16 1.939 -4.842 -4.406
112 HG LEU 16 HG LEU 16 4.351 -3.030 -3.967
113 HD11 LEU 16 HD11 LEU 16 3.501 -4.606 -6.442
114 HD12 LEU 16 HD12 LEU 16 4.894 -4.977 -5.395
115 HD13 LEU 16 HD13 LEU 16 4.869 -3.482 -6.332
116 HD21 LEU 16 HD21 LEU 16 3.375 -1.649 -5.773
117 HD22 LEU 16 HD22 LEU 16 2.332 -1.702 -4.357
118 HD23 LEU 16 HD23 LEU 16 1.927 -2.682 -5.787
119 H GLU 17 H GLU 17 2.586 -6.113 -1.286
120 HA GLU 17 HA GLU 17 -0.022 -7.268 -1.313
121 HB2 GLU 17 HB2 GLU 17 2.450 -7.921 0.334
122 HB3 GLU 17 HB3 GLU 17 0.961 -8.862 0.392
123 HG2 GLU 17 HG2 GLU 17 1.112 -9.221 -2.081
124 HG3 GLU 17 HG3 GLU 17 2.694 -8.443 -2.066
125 H ASN 18 H ASN 18 1.388 -4.979 0.973
126 HA ASN 18 HA ASN 18 -0.200 -5.525 3.260
127 HB2 ASN 18 HB2 ASN 18 1.764 -4.059 3.260
128 HB3 ASN 18 HB3 ASN 18 0.908 -2.900 2.236
129 HD21 ASN 18 HD21 ASN 18 -0.469 -1.373 3.228
130 HD22 ASN 18 HD22 ASN 18 -0.756 -1.359 4.955
131 H TYR 19 H TYR 19 -1.039 -3.873 0.276
132 HA TYR 19 HA TYR 19 -3.694 -2.996 1.297
133 HB2 TYR 19 HB2 TYR 19 -2.028 -2.386 -1.157
134 HB3 TYR 19 HB3 TYR 19 -3.726 -1.972 -1.093
135 HD1 TYR 19 HD2 TYR 19 -0.451 -1.309 0.575
136 HD2 TYR 19 HD1 TYR 19 -4.576 -0.141 0.142
137 HE1 TYR 19 HE2 TYR 19 0.028 0.802 1.795
138 HE2 TYR 19 HE1 TYR 19 -4.116 1.954 1.395
139 HH TYR 19 HH TYR 19 -0.843 2.773 2.619
140 H CYS 20 HN CYS 20 -2.620 -5.906 0.275
141 HA CYS 20 HA CYS 20 -4.931 -6.458 -1.513
142 HB2 CYS 20 HB2 CYS 20 -2.388 -8.006 -0.987
143 HB3 CYS 20 HB3 CYS 20 -3.706 -8.538 -2.042
144 H ASN 21 H ASN 21 -6.572 -7.625 -0.982
145 HA ASN 21 HA ASN 21 -7.028 -9.588 0.955
146 HB2 ASN 21 HB2 ASN 21 -8.185 -8.169 2.735
147 HB3 ASN 21 HB3 ASN 21 -6.439 -8.186 2.778
148 HD21 ASN 21 HD21 ASN 21 -8.468 -6.197 0.589
149 HD22 ASN 21 HD22 ASN 21 -7.983 -4.658 1.328
150 H1 PHE 1 H1 PHE 1 13.566 -7.345 -0.361
151 H2 PHE 1 H2 PHE 1 14.084 -8.653 -1.196
152 H3 PHE 1 H3 PHE 1 12.955 -8.834 -0.028
153 HA PHE 1 HA PHE 1 11.934 -8.966 -2.203
154 HB2 PHE 1 HB2 PHE 1 11.201 -6.459 -0.638
155 HB3 PHE 1 HB3 PHE 1 10.199 -7.211 -1.882
156 HD1 PHE 1 HD1 PHE 1 9.294 -9.570 -1.510
157 HD2 PHE 1 HD2 PHE 1 11.064 -7.194 1.640
158 HE1 PHE 1 HE1 PHE 1 8.166 -10.976 0.199
159 HE2 PHE 1 HE2 PHE 1 9.948 -8.617 3.332
160 HZ PHE 1 HZ PHE 1 8.502 -10.505 2.619
161 H VAL 2 H VAL 2 11.307 -7.813 -4.192
162 HA VAL 2 HA VAL 2 13.370 -6.008 -5.275
163 HB VAL 2 HB VAL 2 10.817 -7.120 -6.508
164 HG11 VAL 2 HG11 VAL 2 13.087 -5.533 -7.805
165 HG12 VAL 2 HG12 VAL 2 11.808 -6.399 -8.690
166 HG13 VAL 2 HG13 VAL 2 11.382 -5.032 -7.663
167 HG21 VAL 2 HG21 VAL 2 13.745 -7.886 -6.908
168 HG22 VAL 2 HG22 VAL 2 12.515 -8.863 -6.079
169 HG23 VAL 2 HG23 VAL 2 12.362 -8.549 -7.807
170 H ASN 3 H ASN 3 13.101 -3.849 -5.746
171 HA ASN 3 HA ASN 3 10.649 -2.472 -4.770
172 HB2 ASN 3 HB2 ASN 3 11.944 -0.951 -3.473
173 HB3 ASN 3 HB3 ASN 3 12.441 -2.567 -3.016
174 HD21 ASN 3 HD21 ASN 3 13.511 0.505 -4.249
175 HD22 ASN 3 HD22 ASN 3 15.167 0.034 -4.558
176 H GLN 4 H GLN 4 10.377 -0.269 -5.437
177 HA GLN 4 HA GLN 4 11.711 1.052 -7.603
178 HB2 GLN 4 HB2 GLN 4 9.970 -1.193 -8.343
179 HB3 GLN 4 HB3 GLN 4 9.229 0.286 -8.874
180 HG2 GLN 4 HG2 GLN 4 12.096 -0.537 -9.525
181 HG3 GLN 4 HG3 GLN 4 10.702 -0.817 -10.556
182 HE21 GLN 4 HE21 GLN 4 12.811 0.561 -11.659
183 HE22 GLN 4 HE22 GLN 4 12.370 2.258 -11.814
184 H HIS 5 H HIS 5 9.690 2.581 -8.646
185 HA HIS 5 HA HIS 5 8.247 3.739 -6.284
186 HB2 HIS 5 HB2 HIS 5 8.824 4.695 -9.094
187 HB3 HIS 5 HB3 HIS 5 7.449 5.339 -8.206
188 HD1 HIS 5 HD1 HIS 5 8.002 7.539 -7.071
189 HD2 HIS 5 HD2 HIS 5 11.187 4.778 -7.130
190 HE1 HIS 5 HE1 HIS 5 9.950 8.659 -5.869
191 H LEU 6 H LEU 6 6.529 3.934 -9.193
192 HA LEU 6 HA LEU 6 5.251 2.395 -10.424
193 HB2 LEU 6 HB2 LEU 6 4.456 1.131 -7.777
194 HB3 LEU 6 HB3 LEU 6 3.683 0.827 -9.305
195 HG LEU 6 HG LEU 6 6.648 0.274 -8.960
196 HD11 LEU 6 HD11 LEU 6 4.283 -1.568 -8.408
197 HD12 LEU 6 HD12 LEU 6 5.488 -0.999 -7.230
198 HD13 LEU 6 HD13 LEU 6 5.979 -2.094 -8.530
199 HD21 LEU 6 HD21 LEU 6 5.820 0.384 -11.286
200 HD22 LEU 6 HD22 LEU 6 4.547 -0.791 -10.888
201 HD23 LEU 6 HD23 LEU 6 6.251 -1.275 -10.837
202 H CYS 7 HN CYS 7 3.554 3.427 -11.246
203 HA CYS 7 HA CYS 7 1.616 4.770 -9.457
204 HB2 CYS 7 HB2 CYS 7 3.676 6.233 -10.051
205 HB3 CYS 7 HB3 CYS 7 3.033 6.270 -11.685
206 H GLY 8 H GLY 8 -0.338 5.429 -10.466
207 HA2 GLY 8 HA2 GLY 8 -2.128 5.284 -11.952
208 HA3 GLY 8 HA3 GLY 8 -0.885 5.346 -13.202
209 H SER 9 H SER 9 -1.595 3.949 -14.659
210 HA SER 9 HA SER 9 -2.810 1.407 -14.316
211 HB2 SER 9 HB2 SER 9 -1.897 1.027 -16.649
212 HB3 SER 9 HB3 SER 9 -2.894 2.479 -16.432
213 HG SER 9 HG SER 9 -0.948 2.873 -17.649
214 H HIS 10 H HIS 10 0.679 2.288 -14.338
215 HA HIS 10 HA HIS 10 1.557 -0.457 -14.457
216 HB2 HIS 10 HB2 HIS 10 2.835 1.685 -15.074
217 HB3 HIS 10 HB3 HIS 10 3.165 1.874 -13.356
218 HD1 HIS 10 HD1 HIS 10 3.655 -1.457 -13.043
219 HD2 HIS 10 HD2 HIS 10 5.374 1.294 -15.723
220 HE1 HIS 10 HE1 HIS 10 5.868 -2.485 -13.808
221 H LEU 11 H LEU 11 0.759 1.673 -11.708
222 HA LEU 11 HA LEU 11 1.608 -0.239 -9.679
223 HB2 LEU 11 HB2 LEU 11 1.379 2.154 -9.188
224 HB3 LEU 11 HB3 LEU 11 -0.336 2.108 -9.574
225 HG LEU 11 HG LEU 11 -0.763 0.660 -7.625
226 HD11 LEU 11 HD11 LEU 11 2.210 0.955 -7.004
227 HD12 LEU 11 HD12 LEU 11 1.392 -0.555 -7.450
228 HD13 LEU 11 HD13 LEU 11 0.981 0.243 -5.933
229 HD21 LEU 11 HD21 LEU 11 -0.851 3.114 -7.367
230 HD22 LEU 11 HD22 LEU 11 0.872 3.148 -6.971
231 HD23 LEU 11 HD23 LEU 11 -0.276 2.344 -5.877
232 H VAL 12 H VAL 12 -1.494 0.438 -11.299
233 HA VAL 12 HA VAL 12 -3.061 -1.547 -9.973
234 HB VAL 12 HB VAL 12 -3.314 -0.369 -12.767
235 HG11 VAL 12 HG11 VAL 12 -5.642 -1.230 -12.784
236 HG12 VAL 12 HG12 VAL 12 -4.452 -2.530 -12.856
237 HG13 VAL 12 HG13 VAL 12 -5.290 -2.177 -11.324
238 HG21 VAL 12 HG21 VAL 12 -4.874 0.109 -10.194
239 HG22 VAL 12 HG22 VAL 12 -3.674 1.206 -10.899
240 HG23 VAL 12 HG23 VAL 12 -5.175 0.892 -11.762
241 H GLU 13 H GLU 13 -1.117 -1.829 -13.018
242 HA GLU 13 HA GLU 13 -1.592 -4.629 -13.393
243 HB2 GLU 13 HB2 GLU 13 0.638 -2.781 -14.324
244 HB3 GLU 13 HB3 GLU 13 0.560 -4.491 -14.759
245 HG2 GLU 13 HG2 GLU 13 -1.692 -4.167 -15.734
246 HG3 GLU 13 HG3 GLU 13 -1.609 -2.442 -15.392
247 H ALA 14 H ALA 14 1.086 -2.933 -11.602
248 HA ALA 14 HA ALA 14 2.501 -5.306 -10.901
249 HB1 ALA 14 HB1 ALA 14 3.475 -3.890 -9.120
250 HB2 ALA 14 HB2 ALA 14 3.432 -3.046 -10.672
251 HB3 ALA 14 HB3 ALA 14 2.235 -2.652 -9.416
252 H LEU 15 H LEU 15 -0.213 -3.629 -9.199
253 HA LEU 15 HA LEU 15 -0.301 -5.491 -7.002
254 HB2 LEU 15 HB2 LEU 15 -2.366 -3.613 -8.208
255 HB3 LEU 15 HB3 LEU 15 -2.647 -4.569 -6.755
256 HG LEU 15 HG LEU 15 -0.318 -2.633 -6.938
257 HD11 LEU 15 HD11 LEU 15 -3.083 -2.067 -5.795
258 HD12 LEU 15 HD12 LEU 15 -2.445 -1.403 -7.320
259 HD13 LEU 15 HD13 LEU 15 -1.684 -0.980 -5.780
260 HD21 LEU 15 HD21 LEU 15 -1.788 -3.833 -4.547
261 HD22 LEU 15 HD22 LEU 15 -0.397 -2.735 -4.490
262 HD23 LEU 15 HD23 LEU 15 -0.209 -4.362 -5.148
263 H TYR 16 H TYR 16 -2.023 -5.557 -10.167
264 HA TYR 16 HA TYR 16 -3.474 -7.978 -9.709
265 HB2 TYR 16 HB2 TYR 16 -2.428 -6.534 -12.154
266 HB3 TYR 16 HB3 TYR 16 -2.924 -8.200 -12.331
267 HD1 TYR 16 HD1 TYR 16 -5.281 -8.823 -11.224
268 HD2 TYR 16 HD2 TYR 16 -4.085 -4.947 -12.687
269 HE1 TYR 16 HE1 TYR 16 -7.671 -8.207 -11.550
270 HE2 TYR 16 HE2 TYR 16 -6.470 -4.335 -13.026
271 HH TYR 16 HH TYR 16 -9.153 -6.582 -12.233
272 H LEU 17 H LEU 17 -0.164 -7.509 -11.045
273 HA LEU 17 HA LEU 17 0.357 -10.311 -11.417
274 HB2 LEU 17 HB2 LEU 17 2.149 -7.855 -11.228
275 HB3 LEU 17 HB3 LEU 17 2.772 -9.454 -11.610
276 HG LEU 17 HG LEU 17 0.618 -8.084 -13.277
277 HD11 LEU 17 HD11 LEU 17 3.632 -8.173 -13.718
278 HD12 LEU 17 HD12 LEU 17 2.684 -6.732 -13.275
279 HD13 LEU 17 HD13 LEU 17 2.425 -7.509 -14.849
280 HD21 LEU 17 HD21 LEU 17 2.441 -10.458 -13.854
281 HD22 LEU 17 HD22 LEU 17 1.320 -9.708 -15.011
282 HD23 LEU 17 HD23 LEU 17 0.683 -10.526 -13.585
283 H VAL 18 H VAL 18 1.239 -8.126 -8.729
284 HA VAL 18 HA VAL 18 2.747 -10.170 -7.347
285 HB VAL 18 HB VAL 18 1.740 -7.440 -6.469
286 HG11 VAL 18 HG11 VAL 18 3.303 -7.623 -4.541
287 HG12 VAL 18 HG12 VAL 18 1.950 -8.739 -4.409
288 HG13 VAL 18 HG13 VAL 18 3.550 -9.343 -4.913
289 HG21 VAL 18 HG21 VAL 18 4.150 -6.878 -6.685
290 HG22 VAL 18 HG22 VAL 18 4.519 -8.548 -7.150
291 HG23 VAL 18 HG23 VAL 18 3.551 -7.510 -8.214
292 H CYS 19 HN CYS 19 -0.612 -8.887 -6.858
293 HA CYS 19 HA CYS 19 -0.936 -10.729 -4.570
294 HB2 CYS 19 HB2 CYS 19 -2.700 -8.514 -5.631
295 HB3 CYS 19 HB3 CYS 19 -2.995 -9.481 -4.181
296 H GLY 20 H GLY 20 -2.109 -10.543 -7.902
297 HA2 GLY 20 HA2 GLY 20 -3.254 -12.098 -9.169
298 HA3 GLY 20 HA3 GLY 20 -2.945 -13.267 -7.873
299 H GLU 21 H GLU 21 -4.823 -14.252 -7.618
300 HA GLU 21 HA GLU 21 -7.410 -13.160 -7.965
301 HB2 GLU 21 HB2 GLU 21 -6.681 -15.552 -8.144
302 HB3 GLU 21 HB3 GLU 21 -6.572 -15.626 -6.383
303 HG2 GLU 21 HG2 GLU 21 -8.991 -15.258 -6.187
304 HG3 GLU 21 HG3 GLU 21 -9.114 -14.947 -7.921
305 H ARG 22 H ARG 22 -5.316 -12.893 -5.187
306 HA ARG 22 HA ARG 22 -7.221 -12.738 -3.082
307 HB2 ARG 22 HB2 ARG 22 -4.495 -11.416 -3.410
308 HB3 ARG 22 HB3 ARG 22 -5.435 -11.416 -1.912
309 HG2 ARG 22 HG2 ARG 22 -5.401 -13.864 -1.823
310 HG3 ARG 22 HG3 ARG 22 -4.482 -13.954 -3.328
311 HD2 ARG 22 HD2 ARG 22 -3.486 -12.481 -0.859
312 HD3 ARG 22 HD3 ARG 22 -3.164 -14.196 -1.158
313 HE ARG 22 HE ARG 22 -2.334 -13.001 -3.494
314 HH11 ARG 22 HH12 ARG 22 -1.437 -12.374 -0.088
315 HH12 ARG 22 HH11 ARG 22 0.218 -12.004 -0.573
316 HH21 ARG 22 HH21 ARG 22 -0.064 -12.680 -3.861
317 HH22 ARG 22 HH22 ARG 22 0.900 -12.130 -2.497
318 H GLY 23 H GLY 23 -6.369 -10.332 -5.506
319 HA2 GLY 23 HA2 GLY 23 -7.412 -8.325 -6.056
320 HA3 GLY 23 HA3 GLY 23 -8.543 -8.535 -4.701
321 H PHE 24 H PHE 24 -7.352 -6.093 -5.483
322 HA PHE 24 HA PHE 24 -5.676 -5.365 -3.131
323 HB2 PHE 24 HB2 PHE 24 -4.272 -4.058 -4.674
324 HB3 PHE 24 HB3 PHE 24 -4.267 -5.780 -5.040
325 HD1 PHE 24 HD1 PHE 24 -5.470 -2.471 -6.214
326 HD2 PHE 24 HD2 PHE 24 -5.104 -6.669 -7.120
327 HE1 PHE 24 HE1 PHE 24 -6.086 -2.015 -8.587
328 HE2 PHE 24 HE2 PHE 24 -5.747 -6.216 -9.462
329 HZ PHE 24 HZ PHE 24 -6.245 -3.905 -10.202
330 H PHE 25 H PHE 25 -5.718 -3.265 -2.429
331 HA PHE 25 HA PHE 25 -8.119 -1.679 -3.159
332 HB2 PHE 25 HB2 PHE 25 -7.881 -2.621 -0.862
333 HB3 PHE 25 HB3 PHE 25 -6.416 -1.682 -0.643
334 HD1 PHE 25 HD2 PHE 25 -9.890 -0.914 -1.970
335 HD2 PHE 25 HD1 PHE 25 -6.808 0.061 0.890
336 HE1 PHE 25 HE2 PHE 25 -11.290 0.922 -1.077
337 HE2 PHE 25 HE1 PHE 25 -8.218 1.886 1.785
338 HZ PHE 25 HZ PHE 25 -10.465 2.324 0.807
339 H TYR 26 H TYR 26 -6.803 -1.029 -5.091
340 HA TYR 26 HA TYR 26 -4.686 0.941 -4.843
341 HB2 TYR 26 HB2 TYR 26 -4.916 -0.336 -6.859
342 HB3 TYR 26 HB3 TYR 26 -6.597 0.127 -7.055
343 HD1 TYR 26 HD2 TYR 26 -3.094 1.209 -7.476
344 HD2 TYR 26 HD1 TYR 26 -7.238 2.312 -7.959
345 HE1 TYR 26 HE2 TYR 26 -2.431 3.081 -8.978
346 HE2 TYR 26 HE1 TYR 26 -6.565 4.214 -9.417
347 HH TYR 26 HH TYR 26 -3.133 4.900 -10.178
348 H THR 27 H THR 27 -4.922 2.923 -3.995
349 HA THR 27 HA THR 27 -6.969 4.797 -4.722
350 HB THR 27 HB THR 27 -8.278 3.281 -3.221
351 HG1 THR 27 HG1 THR 27 -9.163 5.016 -2.095
352 HG21 THR 27 HG21 THR 27 -6.570 4.419 -0.967
353 HG22 THR 27 HG22 THR 27 -6.491 2.740 -1.549
354 HG23 THR 27 HG23 THR 27 -7.978 3.362 -0.825
355 HA PRO 28 HA PRO 28 -3.927 7.407 -2.446
356 HB2 PRO 28 HB2 PRO 28 -4.879 9.870 -3.003
357 HB3 PRO 28 HB3 PRO 28 -4.240 8.835 -4.315
358 HG2 PRO 28 HG2 PRO 28 -7.131 9.219 -3.504
359 HG3 PRO 28 HG3 PRO 28 -6.419 9.342 -5.144
360 HD2 PRO 28 HD2 PRO 28 -7.625 7.069 -4.165
361 HD3 PRO 28 HD3 PRO 28 -6.288 7.013 -5.349
362 H LYS 29 H LYS 29 -4.380 9.488 -0.760
363 HA LYS 29 HA LYS 29 -6.338 8.546 1.250
364 HB2 LYS 29 HB2 LYS 29 -4.694 11.101 1.155
365 HB3 LYS 29 HB3 LYS 29 -5.573 10.469 2.547
366 HG2 LYS 29 HG2 LYS 29 -4.102 8.443 2.549
367 HG3 LYS 29 HG3 LYS 29 -3.146 9.160 1.244
368 HD2 LYS 29 HD2 LYS 29 -3.490 10.179 4.085
369 HD3 LYS 29 HD3 LYS 29 -2.021 9.572 3.334
370 HE2 LYS 29 HE2 LYS 29 -3.461 12.182 2.690
371 HE3 LYS 29 HE3 LYS 29 -1.940 12.007 3.571
372 HZ1 LYS 29 HZ1 LYS 29 -0.940 11.122 1.534
373 HZ2 LYS 29 HZ2 LYS 29 -1.546 12.619 1.269
374 HZ3 LYS 29 HZ3 LYS 29 -2.357 11.314 0.713
375 H THR 30 H THR 30 -6.284 10.827 -1.379
376 HA THR 30 HA THR 30 -8.278 12.672 -0.404
377 HB THR 30 HB THR 30 -8.075 13.611 -2.721
378 HG1 THR 30 HG1 THR 30 -6.509 12.665 -4.048
379 HG21 THR 30 HG21 THR 30 -5.403 13.051 -1.358
380 HG22 THR 30 HG22 THR 30 -6.545 14.322 -0.882
381 HG23 THR 30 HG23 THR 30 -5.770 14.381 -2.473
382 H LYS 31 H LYS 31 -8.538 9.733 -2.308
383 HA LYS 31 HA LYS 31 -11.114 10.395 -3.463
384 HB2 LYS 31 HB2 LYS 31 -9.487 8.824 -4.488
385 HB3 LYS 31 HB3 LYS 31 -9.695 7.722 -3.131
386 HG2 LYS 31 HG2 LYS 31 -10.962 6.912 -5.000
387 HG3 LYS 31 HG3 LYS 31 -12.091 7.420 -3.742
388 HD2 LYS 31 HD2 LYS 31 -12.553 9.518 -4.987
389 HD3 LYS 31 HD3 LYS 31 -11.337 9.066 -6.203
390 HE2 LYS 31 HE2 LYS 31 -12.661 7.018 -6.734
391 HE3 LYS 31 HE3 LYS 31 -13.875 7.501 -5.544
392 HZ1 LYS 31 HZ1 LYS 31 -14.282 9.502 -6.857
393 HZ2 LYS 31 HZ2 LYS 31 -14.524 8.168 -7.773
394 HZ3 LYS 31 HZ3 LYS 31 -13.171 9.058 -7.970
395 H ARG 32 H ARG 32 -12.882 10.644 -2.315
396 HA ARG 32 HA ARG 32 -14.000 8.737 -0.457
397 HB2 ARG 32 HB2 ARG 32 -12.333 9.717 1.060
398 HB3 ARG 32 HB3 ARG 32 -12.810 11.348 0.595
399 HG2 ARG 32 HG2 ARG 32 -13.668 10.757 2.809
400 HG3 ARG 32 HG3 ARG 32 -14.987 11.075 1.690
401 HD2 ARG 32 HD2 ARG 32 -15.161 8.517 1.371
402 HD3 ARG 32 HD3 ARG 32 -13.979 8.374 2.674
403 HE ARG 32 HE ARG 32 -15.630 8.883 4.210
404 HH11 ARG 32 HH11 ARG 32 -16.937 9.757 1.036
405 HH12 ARG 32 HH12 ARG 32 -18.537 9.960 1.700
406 HH21 ARG 32 HH21 ARG 32 -17.686 9.202 4.937
407 HH22 ARG 32 HH22 ARG 32 -18.947 9.661 3.829
Start of MODEL 50
1 H1 GLY 1 1H GLY 1 -1.894 5.822 2.924
2 H2 GLY 1 2H GLY 1 -0.718 6.428 1.952
3 H3 GLY 1 3H GLY 1 -0.609 4.892 2.502
4 HA2 GLY 1 HA2 GLY 1 -2.597 4.260 1.258
5 HA3 GLY 1 HA3 GLY 1 -2.638 5.913 0.607
6 H ILE 2 H ILE 2 -2.081 3.048 -0.523
7 HA ILE 2 HA ILE 2 0.618 2.776 -1.151
8 HB ILE 2 HB ILE 2 -1.150 1.037 -1.318
9 HG12 ILE 2 HG12 ILE 2 -0.186 -0.264 -3.094
10 HG13 ILE 2 HG13 ILE 2 0.579 1.161 -3.802
11 HG21 ILE 2 HG21 ILE 2 -1.740 2.112 -4.101
12 HG22 ILE 2 HG22 ILE 2 -2.448 0.691 -3.313
13 HG23 ILE 2 HG23 ILE 2 -2.805 2.303 -2.688
14 HD11 ILE 2 HD11 ILE 2 2.108 -0.328 -2.426
15 HD12 ILE 2 HD12 ILE 2 2.105 1.362 -1.920
16 HD13 ILE 2 HD13 ILE 2 1.192 0.160 -0.987
17 H VAL 3 H VAL 3 -1.739 4.664 -2.975
18 HA VAL 3 HA VAL 3 -0.111 4.974 -5.314
19 HB VAL 3 HB VAL 3 -2.178 6.950 -4.301
20 HG11 VAL 3 HG11 VAL 3 -0.794 7.919 -6.091
21 HG12 VAL 3 HG12 VAL 3 -1.074 6.477 -7.108
22 HG13 VAL 3 HG13 VAL 3 -2.416 7.564 -6.692
23 HG21 VAL 3 HG21 VAL 3 -3.199 4.707 -4.530
24 HG22 VAL 3 HG22 VAL 3 -3.732 5.736 -5.856
25 HG23 VAL 3 HG23 VAL 3 -2.468 4.522 -6.135
26 H GLU 4 H GLU 4 -0.380 7.112 -2.396
27 HA GLU 4 HA GLU 4 1.671 8.941 -3.261
28 HB2 GLU 4 HB2 GLU 4 -0.009 9.438 -1.513
29 HB3 GLU 4 HB3 GLU 4 0.724 8.227 -0.457
30 HG2 GLU 4 HG2 GLU 4 2.830 9.525 -0.400
31 HG3 GLU 4 HG3 GLU 4 2.148 10.698 -1.532
32 H GLN 5 H GLN 5 1.736 5.913 -1.379
33 HA GLN 5 HA GLN 5 4.495 6.111 -0.594
34 HB2 GLN 5 HB2 GLN 5 2.531 3.796 -0.788
35 HB3 GLN 5 HB3 GLN 5 4.191 3.571 -0.215
36 HG2 GLN 5 HG2 GLN 5 3.874 4.993 1.674
37 HG3 GLN 5 HG3 GLN 5 2.354 5.643 1.044
38 HE21 GLN 5 HE21 GLN 5 3.740 2.371 1.972
39 HE22 GLN 5 HE22 GLN 5 2.233 1.888 2.738
40 H CYS 6 HN CYS 6 3.001 4.595 -3.487
41 HA CYS 6 HA CYS 6 5.663 3.699 -4.418
42 HB2 CYS 6 HB2 CYS 6 2.856 3.481 -5.565
43 HB3 CYS 6 HB3 CYS 6 4.316 2.861 -6.318
44 H CYS 7 HN CYS 7 3.402 6.349 -5.238
45 HA CYS 7 HA CYS 7 4.881 6.933 -7.736
46 HB2 CYS 7 HB2 CYS 7 2.658 8.506 -6.381
47 HB3 CYS 7 HB3 CYS 7 3.333 8.819 -7.972
48 H THR 8 H THR 8 4.288 8.664 -4.637
49 HA THR 8 HA THR 8 6.133 10.827 -5.342
50 HB THR 8 HB THR 8 4.651 10.323 -2.733
51 HG1 THR 8 HG1 THR 8 3.129 11.767 -3.721
52 HG21 THR 8 HG21 THR 8 4.800 12.793 -2.520
53 HG22 THR 8 HG22 THR 8 5.807 12.856 -3.992
54 HG23 THR 8 HG23 THR 8 6.401 12.044 -2.526
55 H SER 9 H SER 9 6.069 8.108 -3.042
56 HA SER 9 HA SER 9 9.039 8.421 -2.674
57 HB2 SER 9 HB2 SER 9 7.557 8.704 -0.622
58 HB3 SER 9 HB3 SER 9 7.134 6.992 -0.796
59 HG SER 9 HG SER 9 8.944 7.407 0.647
60 H ILE 10 H ILE 10 9.639 6.023 -1.712
61 HA ILE 10 HA ILE 10 9.309 4.141 -4.038
62 HB ILE 10 HB ILE 10 11.423 4.329 -1.856
63 HG12 ILE 10 HG12 ILE 10 11.629 4.749 -4.868
64 HG13 ILE 10 HG13 ILE 10 11.609 6.044 -3.674
65 HG21 ILE 10 HG21 ILE 10 11.312 2.359 -4.171
66 HG22 ILE 10 HG22 ILE 10 12.573 2.459 -2.930
67 HG23 ILE 10 HG23 ILE 10 10.961 1.946 -2.476
68 HD11 ILE 10 HD11 ILE 10 13.714 5.110 -2.659
69 HD12 ILE 10 HD12 ILE 10 13.809 3.992 -4.049
70 HD13 ILE 10 HD13 ILE 10 13.873 5.735 -4.315
71 H CYS 11 HN CYS 11 8.158 2.309 -3.733
72 HA CYS 11 HA CYS 11 7.279 1.618 -0.955
73 HB2 CYS 11 HB2 CYS 11 5.240 0.814 -1.850
74 HB3 CYS 11 HB3 CYS 11 5.510 2.434 -2.418
75 H SER 12 H SER 12 6.209 -0.961 -1.761
76 HA SER 12 HA SER 12 8.394 -2.613 -2.723
77 HB2 SER 12 HB2 SER 12 8.624 -3.902 -0.669
78 HB3 SER 12 HB3 SER 12 9.078 -2.224 -0.365
79 HG SER 12 HG SER 12 7.689 -3.199 1.264
80 H LEU 13 H LEU 13 7.785 -4.916 -2.772
81 HA LEU 13 HA LEU 13 5.099 -5.360 -3.675
82 HB2 LEU 13 HB2 LEU 13 7.126 -7.388 -2.681
83 HB3 LEU 13 HB3 LEU 13 5.744 -7.690 -3.742
84 HG LEU 13 HG LEU 13 8.287 -6.143 -4.404
85 HD11 LEU 13 HD11 LEU 13 7.153 -8.733 -5.551
86 HD12 LEU 13 HD12 LEU 13 8.484 -8.617 -4.378
87 HD13 LEU 13 HD13 LEU 13 8.684 -7.947 -6.004
88 HD21 LEU 13 HD21 LEU 13 5.885 -6.603 -6.211
89 HD22 LEU 13 HD22 LEU 13 7.446 -5.929 -6.707
90 HD23 LEU 13 HD23 LEU 13 6.435 -5.034 -5.570
91 H TYR 14 H TYR 14 6.601 -5.760 -0.471
92 HA TYR 14 HA TYR 14 4.350 -6.975 0.827
93 HB2 TYR 14 HB2 TYR 14 6.576 -6.959 1.808
94 HB3 TYR 14 HB3 TYR 14 6.583 -5.200 1.862
95 HD1 TYR 14 HD1 TYR 14 4.900 -8.247 3.248
96 HD2 TYR 14 HD2 TYR 14 5.597 -4.011 3.706
97 HE1 TYR 14 HE1 TYR 14 3.835 -8.318 5.490
98 HE2 TYR 14 HE2 TYR 14 4.532 -4.081 5.954
99 HH TYR 14 HH TYR 14 3.209 -7.111 7.358
100 H GLN 15 H GLN 15 5.106 -3.559 0.123
101 HA GLN 15 HA GLN 15 2.784 -2.531 1.588
102 HB2 GLN 15 HB2 GLN 15 4.729 -1.304 -0.400
103 HB3 GLN 15 HB3 GLN 15 3.329 -0.424 0.210
104 HG2 GLN 15 HG2 GLN 15 4.086 -0.607 2.503
105 HG3 GLN 15 HG3 GLN 15 5.388 -1.704 2.059
106 HE21 GLN 15 HE21 GLN 15 7.295 -0.861 1.045
107 HE22 GLN 15 HE22 GLN 15 7.625 0.875 1.136
108 H LEU 16 H LEU 16 3.358 -3.519 -1.830
109 HA LEU 16 HA LEU 16 0.739 -2.786 -2.766
110 HB2 LEU 16 HB2 LEU 16 2.574 -5.077 -3.595
111 HB3 LEU 16 HB3 LEU 16 1.120 -4.623 -4.456
112 HG LEU 16 HG LEU 16 3.553 -2.830 -4.088
113 HD11 LEU 16 HD11 LEU 16 3.955 -3.262 -6.485
114 HD12 LEU 16 HD12 LEU 16 2.580 -4.385 -6.524
115 HD13 LEU 16 HD13 LEU 16 4.018 -4.749 -5.537
116 HD21 LEU 16 HD21 LEU 16 2.540 -1.393 -5.788
117 HD22 LEU 16 HD22 LEU 16 1.461 -1.516 -4.402
118 HD23 LEU 16 HD23 LEU 16 1.105 -2.450 -5.873
119 H GLU 17 H GLU 17 1.867 -5.889 -1.298
120 HA GLU 17 HA GLU 17 -0.712 -7.107 -1.201
121 HB2 GLU 17 HB2 GLU 17 1.749 -7.506 0.544
122 HB3 GLU 17 HB3 GLU 17 0.289 -8.489 0.656
123 HG2 GLU 17 HG2 GLU 17 0.531 -9.093 -1.759
124 HG3 GLU 17 HG3 GLU 17 2.078 -8.241 -1.783
125 H ASN 18 H ASN 18 0.800 -4.845 1.143
126 HA ASN 18 HA ASN 18 -1.060 -5.162 3.256
127 HB2 ASN 18 HB2 ASN 18 1.116 -4.020 3.442
128 HB3 ASN 18 HB3 ASN 18 0.527 -2.727 2.398
129 HD21 ASN 18 HD21 ASN 18 -0.786 -1.061 3.298
130 HD22 ASN 18 HD22 ASN 18 -1.175 -1.026 5.008
131 H TYR 19 H TYR 19 -1.392 -3.435 0.223
132 HA TYR 19 HA TYR 19 -4.053 -2.358 1.030
133 HB2 TYR 19 HB2 TYR 19 -2.031 -1.435 -1.018
134 HB3 TYR 19 HB3 TYR 19 -3.708 -0.882 -1.028
135 HD1 TYR 19 HD2 TYR 19 -4.713 0.231 0.973
136 HD2 TYR 19 HD1 TYR 19 -0.484 -0.477 0.629
137 HE1 TYR 19 HE2 TYR 19 -4.293 1.922 2.746
138 HE2 TYR 19 HE1 TYR 19 -0.045 1.276 2.349
139 HH TYR 19 HH TYR 19 -2.711 3.019 4.012
140 H CYS 20 HN CYS 20 -3.452 -5.118 0.324
141 HA CYS 20 HA CYS 20 -5.685 -5.467 -1.630
142 HB2 CYS 20 HB2 CYS 20 -3.165 -7.106 -1.271
143 HB3 CYS 20 HB3 CYS 20 -4.571 -7.699 -2.147
144 H ASN 21 H ASN 21 -6.642 -7.740 -1.378
145 HA ASN 21 HA ASN 21 -7.663 -8.042 1.345
146 HB2 ASN 21 HB2 ASN 21 -8.078 -9.667 -1.197
147 HB3 ASN 21 HB3 ASN 21 -8.992 -9.878 0.286
148 HD21 ASN 21 HD21 ASN 21 -9.930 -9.193 -2.421
149 HD22 ASN 21 HD22 ASN 21 -10.803 -7.665 -2.222
150 H1 PHE 1 H1 PHE 1 15.710 -3.939 -7.862
151 H2 PHE 1 H2 PHE 1 14.593 -3.085 -7.012
152 H3 PHE 1 H3 PHE 1 14.112 -4.147 -8.161
153 HA PHE 1 HA PHE 1 14.943 -6.009 -6.918
154 HB2 PHE 1 HB2 PHE 1 15.588 -3.953 -4.763
155 HB3 PHE 1 HB3 PHE 1 15.816 -5.689 -4.646
156 HD1 PHE 1 HD1 PHE 1 17.426 -6.833 -6.364
157 HD2 PHE 1 HD2 PHE 1 17.389 -2.592 -5.520
158 HE1 PHE 1 HE1 PHE 1 19.723 -6.627 -7.271
159 HE2 PHE 1 HE2 PHE 1 19.689 -2.402 -6.434
160 HZ PHE 1 HZ PHE 1 20.859 -4.408 -7.313
161 H VAL 2 H VAL 2 13.908 -6.066 -4.118
162 HA VAL 2 HA VAL 2 11.113 -6.210 -4.596
163 HB VAL 2 HB VAL 2 12.358 -7.422 -2.814
164 HG11 VAL 2 HG11 VAL 2 12.736 -6.446 -0.623
165 HG12 VAL 2 HG12 VAL 2 13.634 -5.509 -1.826
166 HG13 VAL 2 HG13 VAL 2 12.116 -4.876 -1.158
167 HG21 VAL 2 HG21 VAL 2 9.903 -5.947 -1.788
168 HG22 VAL 2 HG22 VAL 2 9.892 -7.372 -2.852
169 HG23 VAL 2 HG23 VAL 2 10.535 -7.499 -1.214
170 H ASN 3 H ASN 3 13.078 -3.480 -3.538
171 HA ASN 3 HA ASN 3 10.719 -1.742 -3.140
172 HB2 ASN 3 HB2 ASN 3 13.717 -1.317 -2.808
173 HB3 ASN 3 HB3 ASN 3 12.531 -0.026 -2.656
174 HD21 ASN 3 HD21 ASN 3 10.675 -0.458 -1.045
175 HD22 ASN 3 HD22 ASN 3 11.196 -1.200 0.469
176 H GLN 4 H GLN 4 10.206 -0.013 -4.480
177 HA GLN 4 HA GLN 4 11.774 1.041 -6.593
178 HB2 GLN 4 HB2 GLN 4 10.325 -1.412 -7.273
179 HB3 GLN 4 HB3 GLN 4 9.646 -0.084 -8.168
180 HG2 GLN 4 HG2 GLN 4 12.631 -0.735 -8.165
181 HG3 GLN 4 HG3 GLN 4 11.467 -1.370 -9.320
182 HE21 GLN 4 HE21 GLN 4 12.103 -0.334 -11.263
183 HE22 GLN 4 HE22 GLN 4 12.203 1.415 -11.392
184 H HIS 5 H HIS 5 10.468 2.463 -8.058
185 HA HIS 5 HA HIS 5 8.130 3.726 -6.710
186 HB2 HIS 5 HB2 HIS 5 9.823 4.452 -9.149
187 HB3 HIS 5 HB3 HIS 5 8.335 5.279 -8.720
188 HD1 HIS 5 HD1 HIS 5 8.438 6.468 -6.088
189 HD2 HIS 5 HD2 HIS 5 11.957 5.601 -8.214
190 HE1 HIS 5 HE1 HIS 5 10.199 8.088 -5.241
191 H LEU 6 H LEU 6 6.088 3.651 -7.672
192 HA LEU 6 HA LEU 6 5.628 2.434 -10.318
193 HB2 LEU 6 HB2 LEU 6 4.472 1.316 -7.723
194 HB3 LEU 6 HB3 LEU 6 3.741 1.032 -9.284
195 HG LEU 6 HG LEU 6 6.574 0.147 -8.595
196 HD11 LEU 6 HD11 LEU 6 3.933 -1.346 -8.404
197 HD12 LEU 6 HD12 LEU 6 5.016 -0.916 -7.071
198 HD13 LEU 6 HD13 LEU 6 5.539 -2.097 -8.291
199 HD21 LEU 6 HD21 LEU 6 6.096 0.323 -11.035
200 HD22 LEU 6 HD22 LEU 6 4.640 -0.671 -10.808
201 HD23 LEU 6 HD23 LEU 6 6.255 -1.366 -10.531
202 H CYS 7 HN CYS 7 3.916 3.470 -11.340
203 HA CYS 7 HA CYS 7 1.843 4.745 -9.694
204 HB2 CYS 7 HB2 CYS 7 3.926 6.306 -10.154
205 HB3 CYS 7 HB3 CYS 7 3.189 6.498 -11.746
206 H GLY 8 H GLY 8 -0.003 5.505 -10.857
207 HA2 GLY 8 HA2 GLY 8 -1.726 5.270 -12.389
208 HA3 GLY 8 HA3 GLY 8 -0.445 5.397 -13.598
209 H SER 9 H SER 9 -1.148 3.964 -15.098
210 HA SER 9 HA SER 9 -2.300 1.445 -14.767
211 HB2 SER 9 HB2 SER 9 -0.322 2.264 -16.922
212 HB3 SER 9 HB3 SER 9 -1.536 0.978 -17.029
213 HG SER 9 HG SER 9 -2.255 2.921 -18.031
214 H HIS 10 H HIS 10 1.220 2.227 -14.604
215 HA HIS 10 HA HIS 10 2.021 -0.562 -14.600
216 HB2 HIS 10 HB2 HIS 10 3.423 1.455 -15.251
217 HB3 HIS 10 HB3 HIS 10 3.582 1.821 -13.534
218 HD1 HIS 10 HD1 HIS 10 3.924 -1.594 -13.048
219 HD2 HIS 10 HD2 HIS 10 6.127 1.169 -15.321
220 HE1 HIS 10 HE1 HIS 10 6.227 -2.641 -13.416
221 H LEU 11 H LEU 11 1.216 1.751 -11.985
222 HA LEU 11 HA LEU 11 1.838 -0.071 -9.806
223 HB2 LEU 11 HB2 LEU 11 1.590 2.337 -9.408
224 HB3 LEU 11 HB3 LEU 11 -0.069 2.307 -9.991
225 HG LEU 11 HG LEU 11 -0.730 0.874 -8.047
226 HD11 LEU 11 HD11 LEU 11 1.418 -0.237 -7.585
227 HD12 LEU 11 HD12 LEU 11 0.844 0.631 -6.155
228 HD13 LEU 11 HD13 LEU 11 2.144 1.325 -7.145
229 HD21 LEU 11 HD21 LEU 11 -0.908 3.347 -7.946
230 HD22 LEU 11 HD22 LEU 11 0.745 3.451 -7.307
231 HD23 LEU 11 HD23 LEU 11 -0.536 2.655 -6.355
232 H VAL 12 H VAL 12 -1.152 0.650 -11.603
233 HA VAL 12 HA VAL 12 -2.832 -1.156 -10.170
234 HB VAL 12 HB VAL 12 -3.031 -0.041 -12.988
235 HG11 VAL 12 HG11 VAL 12 -5.145 -1.604 -11.440
236 HG12 VAL 12 HG12 VAL 12 -5.433 -0.704 -12.946
237 HG13 VAL 12 HG13 VAL 12 -4.374 -2.115 -12.965
238 HG21 VAL 12 HG21 VAL 12 -3.218 1.589 -11.099
239 HG22 VAL 12 HG22 VAL 12 -4.737 1.417 -11.981
240 HG23 VAL 12 HG23 VAL 12 -4.525 0.622 -10.405
241 H GLU 13 H GLU 13 -0.930 -1.724 -13.206
242 HA GLU 13 HA GLU 13 -1.631 -4.491 -13.441
243 HB2 GLU 13 HB2 GLU 13 0.750 -2.878 -14.418
244 HB3 GLU 13 HB3 GLU 13 0.573 -4.610 -14.740
245 HG2 GLU 13 HG2 GLU 13 -1.611 -4.206 -15.836
246 HG3 GLU 13 HG3 GLU 13 -1.437 -2.471 -15.573
247 H ALA 14 H ALA 14 1.197 -2.949 -11.728
248 HA ALA 14 HA ALA 14 2.354 -5.439 -10.924
249 HB1 ALA 14 HB1 ALA 14 2.474 -2.665 -9.670
250 HB2 ALA 14 HB2 ALA 14 3.573 -4.008 -9.285
251 HB3 ALA 14 HB3 ALA 14 3.574 -3.303 -10.912
252 H LEU 15 H LEU 15 0.010 -3.304 -9.255
253 HA LEU 15 HA LEU 15 -0.248 -4.778 -6.844
254 HB2 LEU 15 HB2 LEU 15 -1.024 -2.426 -7.377
255 HB3 LEU 15 HB3 LEU 15 -2.317 -3.117 -8.360
256 HG LEU 15 HG LEU 15 -3.193 -4.238 -6.256
257 HD11 LEU 15 HD11 LEU 15 -1.161 -4.204 -4.867
258 HD12 LEU 15 HD12 LEU 15 -2.444 -3.277 -4.082
259 HD13 LEU 15 HD13 LEU 15 -1.127 -2.426 -4.911
260 HD21 LEU 15 HD21 LEU 15 -4.143 -2.105 -5.357
261 HD22 LEU 15 HD22 LEU 15 -4.178 -2.166 -7.128
262 HD23 LEU 15 HD23 LEU 15 -2.936 -1.202 -6.292
263 H TYR 16 H TYR 16 -2.116 -5.048 -9.916
264 HA TYR 16 HA TYR 16 -3.791 -7.221 -9.067
265 HB2 TYR 16 HB2 TYR 16 -2.862 -6.331 -11.825
266 HB3 TYR 16 HB3 TYR 16 -4.033 -7.606 -11.540
267 HD1 TYR 16 HD1 TYR 16 -4.676 -4.981 -9.127
268 HD2 TYR 16 HD2 TYR 16 -5.178 -6.105 -13.263
269 HE1 TYR 16 HE1 TYR 16 -6.503 -3.340 -9.353
270 HE2 TYR 16 HE2 TYR 16 -7.048 -4.488 -13.473
271 HH TYR 16 HH TYR 16 -8.331 -2.895 -12.406
272 H LEU 17 H LEU 17 -0.631 -7.249 -10.799
273 HA LEU 17 HA LEU 17 -0.499 -10.113 -11.029
274 HB2 LEU 17 HB2 LEU 17 1.600 -7.911 -11.110
275 HB3 LEU 17 HB3 LEU 17 2.005 -9.597 -11.386
276 HG LEU 17 HG LEU 17 -0.057 -8.124 -13.078
277 HD11 LEU 17 HD11 LEU 17 2.153 -7.021 -13.281
278 HD12 LEU 17 HD12 LEU 17 1.735 -7.895 -14.764
279 HD13 LEU 17 HD13 LEU 17 2.906 -8.589 -13.619
280 HD21 LEU 17 HD21 LEU 17 1.470 -10.729 -13.519
281 HD22 LEU 17 HD22 LEU 17 0.384 -9.955 -14.687
282 HD23 LEU 17 HD23 LEU 17 -0.264 -10.575 -13.169
283 H VAL 18 H VAL 18 0.787 -7.930 -8.510
284 HA VAL 18 HA VAL 18 2.061 -10.024 -7.003
285 HB VAL 18 HB VAL 18 1.184 -7.208 -6.304
286 HG11 VAL 18 HG11 VAL 18 2.649 -9.156 -4.464
287 HG12 VAL 18 HG12 VAL 18 2.545 -7.402 -4.217
288 HG13 VAL 18 HG13 VAL 18 1.075 -8.371 -4.159
289 HG21 VAL 18 HG21 VAL 18 3.156 -7.581 -7.841
290 HG22 VAL 18 HG22 VAL 18 3.601 -6.818 -6.316
291 HG23 VAL 18 HG23 VAL 18 3.921 -8.547 -6.570
292 H CYS 19 HN CYS 19 -1.202 -8.507 -6.611
293 HA CYS 19 HA CYS 19 -1.752 -10.225 -4.299
294 HB2 CYS 19 HB2 CYS 19 -3.452 -8.166 -5.737
295 HB3 CYS 19 HB3 CYS 19 -3.811 -8.919 -4.176
296 H GLY 20 H GLY 20 -2.553 -10.426 -7.709
297 HA2 GLY 20 HA2 GLY 20 -3.504 -12.150 -8.906
298 HA3 GLY 20 HA3 GLY 20 -3.262 -13.144 -7.466
299 H GLU 21 H GLU 21 -5.075 -14.286 -7.505
300 HA GLU 21 HA GLU 21 -7.669 -13.376 -8.235
301 HB2 GLU 21 HB2 GLU 21 -6.729 -15.703 -8.341
302 HB3 GLU 21 HB3 GLU 21 -6.918 -15.827 -6.589
303 HG2 GLU 21 HG2 GLU 21 -9.358 -15.608 -6.807
304 HG3 GLU 21 HG3 GLU 21 -9.206 -15.272 -8.535
305 H ARG 22 H ARG 22 -6.040 -13.093 -5.143
306 HA ARG 22 HA ARG 22 -8.297 -13.061 -3.385
307 HB2 ARG 22 HB2 ARG 22 -5.640 -11.578 -3.166
308 HB3 ARG 22 HB3 ARG 22 -6.821 -11.771 -1.873
309 HG2 ARG 22 HG2 ARG 22 -6.554 -14.254 -1.992
310 HG3 ARG 22 HG3 ARG 22 -5.325 -14.042 -3.255
311 HD2 ARG 22 HD2 ARG 22 -4.179 -14.362 -1.167
312 HD3 ARG 22 HD3 ARG 22 -3.936 -12.700 -1.692
313 HE ARG 22 HE ARG 22 -5.236 -11.889 0.080
314 HH11 ARG 22 HH21 ARG 22 -5.383 -15.439 0.157
315 HH12 ARG 22 HH22 ARG 22 -6.119 -15.453 1.728
316 HH21 ARG 22 HH11 ARG 22 -6.230 -11.974 2.035
317 HH22 ARG 22 HH12 ARG 22 -6.581 -13.513 2.790
318 H GLY 23 H GLY 23 -6.963 -10.555 -5.491
319 HA2 GLY 23 HA2 GLY 23 -8.042 -8.637 -6.274
320 HA3 GLY 23 HA3 GLY 23 -9.304 -8.798 -5.038
321 H PHE 24 H PHE 24 -8.259 -6.404 -5.700
322 HA PHE 24 HA PHE 24 -6.224 -5.584 -3.716
323 HB2 PHE 24 HB2 PHE 24 -6.079 -3.568 -5.072
324 HB3 PHE 24 HB3 PHE 24 -5.858 -5.005 -6.051
325 HD1 PHE 24 HD1 PHE 24 -8.137 -2.177 -5.283
326 HD2 PHE 24 HD2 PHE 24 -7.530 -5.666 -7.755
327 HE1 PHE 24 HE1 PHE 24 -9.941 -1.413 -6.803
328 HE2 PHE 24 HE2 PHE 24 -9.359 -4.917 -9.250
329 HZ PHE 24 HZ PHE 24 -10.560 -2.788 -8.787
330 H PHE 25 H PHE 25 -6.505 -3.502 -2.619
331 HA PHE 25 HA PHE 25 -9.334 -2.720 -2.034
332 HB2 PHE 25 HB2 PHE 25 -8.260 -3.712 -0.071
333 HB3 PHE 25 HB3 PHE 25 -6.899 -2.613 -0.219
334 HD1 PHE 25 HD2 PHE 25 -10.676 -2.315 -0.125
335 HD2 PHE 25 HD1 PHE 25 -6.882 -0.870 1.331
336 HE1 PHE 25 HE2 PHE 25 -11.854 -0.670 1.317
337 HE2 PHE 25 HE1 PHE 25 -8.067 0.748 2.795
338 HZ PHE 25 HZ PHE 25 -10.551 0.861 2.785
339 H TYR 26 H TYR 26 -6.007 -1.599 -2.614
340 HA TYR 26 HA TYR 26 -5.115 0.293 -3.484
341 HB2 TYR 26 HB2 TYR 26 -6.278 -0.664 -5.385
342 HB3 TYR 26 HB3 TYR 26 -7.738 0.241 -5.004
343 HD1 TYR 26 HD2 TYR 26 -4.104 0.693 -5.865
344 HD2 TYR 26 HD1 TYR 26 -8.064 2.394 -5.937
345 HE1 TYR 26 HE2 TYR 26 -3.283 2.525 -7.338
346 HE2 TYR 26 HE1 TYR 26 -7.248 4.236 -7.394
347 HH TYR 26 HH TYR 26 -5.457 5.120 -8.518
348 H THR 27 H THR 27 -4.791 1.797 -1.917
349 HA THR 27 HA THR 27 -6.951 3.792 -1.369
350 HB THR 27 HB THR 27 -4.599 2.985 0.325
351 HG1 THR 27 HG1 THR 27 -6.333 2.082 1.530
352 HG21 THR 27 HG21 THR 27 -5.800 4.276 2.083
353 HG22 THR 27 HG22 THR 27 -6.950 4.862 0.865
354 HG23 THR 27 HG23 THR 27 -5.236 5.329 0.783
355 HA PRO 28 HA PRO 28 -4.055 6.778 -3.311
356 HB2 PRO 28 HB2 PRO 28 -5.868 8.469 -4.350
357 HB3 PRO 28 HB3 PRO 28 -5.685 6.833 -5.020
358 HG2 PRO 28 HG2 PRO 28 -7.739 7.758 -2.991
359 HG3 PRO 28 HG3 PRO 28 -8.019 6.876 -4.523
360 HD2 PRO 28 HD2 PRO 28 -7.757 5.632 -2.074
361 HD3 PRO 28 HD3 PRO 28 -7.298 4.860 -3.619
362 H LYS 29 H LYS 29 -4.907 9.481 -3.034
363 HA LYS 29 HA LYS 29 -4.214 10.293 -0.414
364 HB2 LYS 29 HB2 LYS 29 -6.010 11.589 -2.516
365 HB3 LYS 29 HB3 LYS 29 -5.457 12.429 -1.078
366 HG2 LYS 29 HG2 LYS 29 -3.551 11.277 -3.171
367 HG3 LYS 29 HG3 LYS 29 -4.170 12.929 -3.173
368 HD2 LYS 29 HD2 LYS 29 -3.191 13.291 -0.901
369 HD3 LYS 29 HD3 LYS 29 -2.450 11.680 -0.990
370 HE2 LYS 29 HE2 LYS 29 -1.200 12.323 -3.003
371 HE3 LYS 29 HE3 LYS 29 -2.009 13.896 -3.043
372 HZ1 LYS 29 HZ1 LYS 29 -0.947 14.413 -0.912
373 HZ2 LYS 29 HZ2 LYS 29 0.192 14.051 -2.033
374 HZ3 LYS 29 HZ3 LYS 29 -0.198 12.950 -0.879
375 H THR 30 H THR 30 -7.378 9.337 -1.613
376 HA THR 30 HA THR 30 -8.480 9.250 1.148
377 HB THR 30 HB THR 30 -10.073 10.376 -1.186
378 HG1 THR 30 HG1 THR 30 -9.797 12.337 -0.072
379 HG21 THR 30 HG21 THR 30 -10.626 10.245 1.820
380 HG22 THR 30 HG22 THR 30 -11.447 9.266 0.591
381 HG23 THR 30 HG23 THR 30 -11.658 11.025 0.596
382 H LYS 31 H LYS 31 -10.442 8.571 -1.658
383 HA LYS 31 HA LYS 31 -9.904 5.770 -1.939
384 HB2 LYS 31 HB2 LYS 31 -10.867 5.713 0.366
385 HB3 LYS 31 HB3 LYS 31 -12.319 6.500 -0.224
386 HG2 LYS 31 HG2 LYS 31 -12.663 4.107 0.072
387 HG3 LYS 31 HG3 LYS 31 -12.884 4.557 -1.602
388 HD2 LYS 31 HD2 LYS 31 -11.715 2.409 -1.346
389 HD3 LYS 31 HD3 LYS 31 -10.701 3.586 -2.191
390 HE2 LYS 31 HE2 LYS 31 -9.414 4.012 -0.148
391 HE3 LYS 31 HE3 LYS 31 -10.480 2.963 0.795
392 HZ1 LYS 31 HZ1 LYS 31 -8.367 1.898 0.037
393 HZ2 LYS 31 HZ2 LYS 31 -8.883 1.982 -1.515
394 HZ3 LYS 31 HZ3 LYS 31 -9.708 1.078 -0.433
395 H ARG 32 H ARG 32 -12.537 8.166 -2.049
396 HA ARG 32 HA ARG 32 -13.724 7.254 -4.530
397 HB2 ARG 32 HB2 ARG 32 -15.006 9.288 -4.442
398 HB3 ARG 32 HB3 ARG 32 -14.971 8.522 -2.853
399 HG2 ARG 32 HG2 ARG 32 -13.255 10.175 -2.110
400 HG3 ARG 32 HG3 ARG 32 -13.312 10.946 -3.699
401 HD2 ARG 32 HD2 ARG 32 -15.697 11.459 -3.385
402 HD3 ARG 32 HD3 ARG 32 -15.678 10.675 -1.803
403 HE ARG 32 HE ARG 32 -14.465 13.275 -2.551
404 HH11 ARG 32 HH11 ARG 32 -14.910 10.959 0.055
405 HH12 ARG 32 HH12 ARG 32 -14.422 12.119 1.262
406 HH21 ARG 32 HH21 ARG 32 -13.843 14.666 -0.961
407 HH22 ARG 32 HH22 ARG 32 -13.828 14.146 0.697
Contact the webmaster for help, if required. Saturday, April 27, 2024 10:15:33 PM GMT (wattos1)