NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
616828 |
5x34   |
36050 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 THR 1 H1 THR 1 3.355 -4.923 -9.286
2 H2 THR 1 H2 THR 1 2.434 -4.663 -10.723
3 H3 THR 1 H3 THR 1 2.066 -5.931 -9.686
4 HA THR 1 HA THR 1 1.821 -3.129 -8.929
5 HB THR 1 HB THR 1 -0.381 -5.076 -9.637
6 HG1 THR 1 HG1 THR 1 -0.231 -3.613 -11.688
7 HG21 THR 1 HG21 THR 1 -0.150 -2.068 -9.622
8 HG22 THR 1 HG22 THR 1 -0.970 -3.031 -8.400
9 HG23 THR 1 HG23 THR 1 -1.612 -2.961 -10.049
10 H GLN 2 H GLN 2 0.527 -3.056 -6.830
11 HA GLN 2 HA GLN 2 1.461 -5.240 -5.198
12 HB2 GLN 2 HB2 GLN 2 1.818 -2.872 -4.546
13 HB3 GLN 2 HB3 GLN 2 0.082 -2.692 -4.378
14 HG2 GLN 2 HG2 GLN 2 1.257 -3.020 -2.227
15 HG3 GLN 2 HG3 GLN 2 0.035 -4.243 -2.559
16 HE21 GLN 2 HE21 GLN 2 0.643 -6.355 -2.687
17 HE22 GLN 2 HE22 GLN 2 2.260 -6.896 -2.452
18 H SER 3 H SER 3 0.307 -6.860 -4.595
19 HA SER 3 HA SER 3 -2.322 -7.280 -5.368
20 HB2 SER 3 HB2 SER 3 -2.068 -9.316 -3.923
21 HB3 SER 3 HB3 SER 3 -0.803 -9.104 -5.135
22 HG SER 3 HG SER 3 0.304 -9.514 -3.366
23 H HIS 4 H HIS 4 -4.023 -7.918 -3.946
24 HA HIS 4 HA HIS 4 -4.916 -5.883 -2.250
25 HB2 HIS 4 HB2 HIS 4 -6.279 -7.601 -3.561
26 HB3 HIS 4 HB3 HIS 4 -5.886 -8.741 -2.288
27 HD1 HIS 4 HD1 HIS 4 -8.665 -8.700 -2.215
28 HD2 HIS 4 HD2 HIS 4 -6.643 -5.397 -0.728
29 HE1 HIS 4 HE1 HIS 4 -10.352 -7.397 -0.924
30 HE2 HIS 4 HE2 HIS 4 -9.145 -5.226 -0.457
31 H TYR 5 H TYR 5 -4.638 -5.532 -0.114
32 HA TYR 5 HA TYR 5 -4.118 -5.690 1.998
33 HB2 TYR 5 HB2 TYR 5 -3.959 -8.691 1.606
34 HB3 TYR 5 HB3 TYR 5 -3.801 -7.883 3.158
35 HD1 TYR 5 HD1 TYR 5 -6.049 -9.302 0.800
36 HD2 TYR 5 HD2 TYR 5 -5.807 -6.470 3.952
37 HE1 TYR 5 HE1 TYR 5 -8.487 -9.415 1.074
38 HE2 TYR 5 HE2 TYR 5 -8.248 -6.570 4.239
39 HH TYR 5 HH TYR 5 -10.224 -7.177 2.969
40 H GLY 6 H GLY 6 -2.079 -5.911 -0.373
41 HA2 GLY 6 HA2 GLY 6 0.281 -6.549 1.211
42 HA3 GLY 6 HA3 GLY 6 0.238 -6.190 -0.515
43 H GLN 7 H GLN 7 2.135 -4.949 0.845
44 HA GLN 7 HA GLN 7 1.203 -2.339 1.751
45 HB2 GLN 7 HB2 GLN 7 3.105 -3.414 2.935
46 HB3 GLN 7 HB3 GLN 7 4.030 -3.368 1.435
47 HG2 GLN 7 HG2 GLN 7 3.818 -0.889 1.436
48 HG3 GLN 7 HG3 GLN 7 3.020 -0.985 2.995
49 HE21 GLN 7 HE21 GLN 7 5.392 0.407 2.247
50 HE22 GLN 7 HE22 GLN 7 6.680 -0.120 3.236
51 H CYS 8 H CYS 8 0.469 -1.114 0.064
52 HA CYS 8 HA CYS 8 1.766 -0.942 -2.464
53 HB2 CYS 8 HB2 CYS 8 0.550 1.316 -2.558
54 HB3 CYS 8 HB3 CYS 8 -0.475 -0.143 -2.512
55 H GLY 9 H GLY 9 2.159 0.613 0.559
56 HA2 GLY 9 HA2 GLY 9 4.478 1.157 1.037
57 HA3 GLY 9 HA3 GLY 9 4.583 1.696 -0.619
58 H GLY 10 H GLY 10 4.844 2.737 2.235
59 HA2 GLY 10 HA2 GLY 10 3.387 5.195 1.933
60 HA3 GLY 10 HA3 GLY 10 4.289 4.630 3.324
61 H ILE 11 H ILE 11 5.423 6.636 3.290
62 HA ILE 11 HA ILE 11 7.160 7.514 1.291
63 HB ILE 11 HB ILE 11 7.463 7.661 4.308
64 HG12 ILE 11 HG12 ILE 11 6.286 9.665 2.383
65 HG13 ILE 11 HG13 ILE 11 5.339 8.599 3.412
66 HG21 ILE 11 HG21 ILE 11 8.899 9.611 3.887
67 HG22 ILE 11 HG22 ILE 11 8.768 9.323 2.146
68 HG23 ILE 11 HG23 ILE 11 9.561 8.134 3.182
69 HD11 ILE 11 HD11 ILE 11 5.465 10.837 4.341
70 HD12 ILE 11 HD12 ILE 11 7.231 10.745 4.349
71 HD13 ILE 11 HD13 ILE 11 6.286 9.672 5.381
72 H GLY 12 H GLY 12 9.011 6.656 0.529
73 HA2 GLY 12 HA2 GLY 12 11.201 5.668 0.979
74 HA3 GLY 12 HA3 GLY 12 10.408 4.714 2.234
75 H TYR 13 H TYR 13 8.154 4.314 0.243
76 HA TYR 13 HA TYR 13 9.319 1.872 -0.861
77 HB2 TYR 13 HB2 TYR 13 7.147 1.950 0.443
78 HB3 TYR 13 HB3 TYR 13 6.449 2.832 -0.891
79 HD1 TYR 13 HD1 TYR 13 6.922 -0.335 0.549
80 HD2 TYR 13 HD2 TYR 13 6.581 1.568 -3.229
81 HE1 TYR 13 HE1 TYR 13 6.202 -2.457 -0.450
82 HE2 TYR 13 HE2 TYR 13 5.865 -0.546 -4.231
83 HH TYR 13 HH TYR 13 4.716 -3.034 -2.577
84 H SER 14 H SER 14 9.897 1.766 -2.988
85 HA SER 14 HA SER 14 9.026 3.977 -4.702
86 HB2 SER 14 HB2 SER 14 11.275 3.582 -5.797
87 HB3 SER 14 HB3 SER 14 11.286 4.291 -4.181
88 HG SER 14 HG SER 14 12.057 1.749 -5.033
89 H GLY 15 H GLY 15 8.436 0.804 -4.328
90 HA2 GLY 15 HA2 GLY 15 8.753 0.076 -7.141
91 HA3 GLY 15 HA3 GLY 15 8.381 -1.018 -5.819
92 HA PRO 16 HA PRO 16 4.249 -0.820 -7.751
93 HB2 PRO 16 HB2 PRO 16 3.743 -2.835 -5.656
94 HB3 PRO 16 HB3 PRO 16 3.472 -2.935 -7.399
95 HG2 PRO 16 HG2 PRO 16 5.460 -4.282 -6.268
96 HG3 PRO 16 HG3 PRO 16 5.674 -3.488 -7.842
97 HD2 PRO 16 HD2 PRO 16 6.558 -2.583 -5.122
98 HD3 PRO 16 HD3 PRO 16 7.449 -2.583 -6.663
99 H THR 17 H THR 17 4.001 1.322 -6.803
100 HA THR 17 HA THR 17 2.810 1.444 -4.186
101 HB THR 17 HB THR 17 2.682 3.930 -4.802
102 HG1 THR 17 HG1 THR 17 4.540 4.055 -6.604
103 HG21 THR 17 HG21 THR 17 4.478 3.003 -3.387
104 HG22 THR 17 HG22 THR 17 5.086 4.286 -4.436
105 HG23 THR 17 HG23 THR 17 5.396 2.596 -4.838
106 H VAL 18 H VAL 18 1.897 0.787 -7.233
107 HA VAL 18 HA VAL 18 -0.787 1.898 -7.085
108 HB VAL 18 HB VAL 18 0.458 0.111 -9.200
109 HG11 VAL 18 HG11 VAL 18 -1.372 0.888 -10.643
110 HG12 VAL 18 HG12 VAL 18 -2.037 1.811 -9.296
111 HG13 VAL 18 HG13 VAL 18 -1.979 0.050 -9.213
112 HG21 VAL 18 HG21 VAL 18 1.673 2.223 -9.035
113 HG22 VAL 18 HG22 VAL 18 0.162 3.116 -9.207
114 HG23 VAL 18 HG23 VAL 18 0.765 2.129 -10.540
115 H CYS 19 H CYS 19 -2.454 0.696 -6.418
116 HA CYS 19 HA CYS 19 -1.928 -2.022 -5.551
117 HB2 CYS 19 HB2 CYS 19 -4.262 -0.171 -5.083
118 HB3 CYS 19 HB3 CYS 19 -4.139 -1.807 -4.444
119 H ALA 20 H ALA 20 -3.390 -3.707 -6.064
120 HA ALA 20 HA ALA 20 -4.131 -4.030 -8.699
121 HB1 ALA 20 HB1 ALA 20 -5.492 -5.900 -7.924
122 HB2 ALA 20 HB2 ALA 20 -5.375 -5.312 -6.266
123 HB3 ALA 20 HB3 ALA 20 -3.929 -5.881 -7.106
124 H SER 21 H SER 21 -6.004 -3.733 -9.834
125 HA SER 21 HA SER 21 -7.451 -1.469 -9.439
126 HB2 SER 21 HB2 SER 21 -8.280 -3.923 -10.983
127 HB3 SER 21 HB3 SER 21 -8.796 -2.260 -11.286
128 HG SER 21 HG SER 21 -6.736 -1.720 -11.849
129 H GLY 22 H GLY 22 -8.905 -0.960 -7.957
130 HA2 GLY 22 HA2 GLY 22 -11.182 -1.309 -7.204
131 HA3 GLY 22 HA3 GLY 22 -10.808 -3.021 -7.108
132 H THR 23 H THR 23 -8.082 -2.109 -5.986
133 HA THR 23 HA THR 23 -9.120 -1.939 -3.257
134 HB THR 23 HB THR 23 -7.003 -2.918 -2.487
135 HG1 THR 23 HG1 THR 23 -6.277 -2.712 -5.245
136 HG21 THR 23 HG21 THR 23 -8.742 -4.451 -3.214
137 HG22 THR 23 HG22 THR 23 -7.146 -5.107 -3.578
138 HG23 THR 23 HG23 THR 23 -8.123 -4.394 -4.864
139 H THR 24 H THR 24 -8.266 -0.451 -1.806
140 HA THR 24 HA THR 24 -7.199 1.903 -3.171
141 HB THR 24 HB THR 24 -7.992 3.128 -1.112
142 HG1 THR 24 HG1 THR 24 -8.887 0.506 -0.460
143 HG21 THR 24 HG21 THR 24 -10.358 3.069 -1.769
144 HG22 THR 24 HG22 THR 24 -10.045 1.597 -2.700
145 HG23 THR 24 HG23 THR 24 -9.276 3.118 -3.164
146 H CYS 25 H CYS 25 -5.227 2.687 -2.708
147 HA CYS 25 HA CYS 25 -3.634 1.330 -0.776
148 HB2 CYS 25 HB2 CYS 25 -2.581 2.134 -2.845
149 HB3 CYS 25 HB3 CYS 25 -3.038 3.786 -2.460
150 H GLN 26 H GLN 26 -4.035 1.710 1.254
151 HA GLN 26 HA GLN 26 -4.741 4.419 2.087
152 HB2 GLN 26 HB2 GLN 26 -5.192 1.757 3.435
153 HB3 GLN 26 HB3 GLN 26 -5.626 3.309 4.131
154 HG2 GLN 26 HG2 GLN 26 -7.200 3.726 2.353
155 HG3 GLN 26 HG3 GLN 26 -6.710 2.249 1.529
156 HE21 GLN 26 HE21 GLN 26 -8.799 1.459 1.563
157 HE22 GLN 26 HE22 GLN 26 -9.538 0.874 3.013
158 H VAL 27 H VAL 27 -3.127 5.520 2.875
159 HA VAL 27 HA VAL 27 -0.752 4.238 3.846
160 HB VAL 27 HB VAL 27 -1.446 7.212 3.881
161 HG11 VAL 27 HG11 VAL 27 0.358 6.599 5.375
162 HG12 VAL 27 HG12 VAL 27 0.907 7.615 4.039
163 HG13 VAL 27 HG13 VAL 27 1.230 5.878 4.024
164 HG21 VAL 27 HG21 VAL 27 -0.143 7.390 1.820
165 HG22 VAL 27 HG22 VAL 27 -1.563 6.367 1.607
166 HG23 VAL 27 HG23 VAL 27 0.034 5.635 1.786
167 H LEU 28 H LEU 28 -1.117 3.211 5.657
168 HA LEU 28 HA LEU 28 -2.896 4.139 7.725
169 HB2 LEU 28 HB2 LEU 28 -0.953 1.823 7.732
170 HB3 LEU 28 HB3 LEU 28 -2.251 2.085 8.877
171 HG LEU 28 HG LEU 28 -2.618 1.471 5.938
172 HD11 LEU 28 HD11 LEU 28 -1.786 -0.417 7.174
173 HD12 LEU 28 HD12 LEU 28 -3.475 -0.669 6.728
174 HD13 LEU 28 HD13 LEU 28 -3.050 -0.223 8.385
175 HD21 LEU 28 HD21 LEU 28 -4.588 1.738 8.169
176 HD22 LEU 28 HD22 LEU 28 -4.960 1.205 6.525
177 HD23 LEU 28 HD23 LEU 28 -4.401 2.864 6.816
178 H ASN 29 H ASN 29 0.511 3.476 7.411
179 HA ASN 29 HA ASN 29 1.098 5.398 9.567
180 HB2 ASN 29 HB2 ASN 29 2.776 3.016 8.632
181 HB3 ASN 29 HB3 ASN 29 3.221 4.143 9.898
182 HD21 ASN 29 HD21 ASN 29 2.938 1.241 10.026
183 HD22 ASN 29 HD22 ASN 29 1.760 0.951 11.240
184 HA PRO 30 HA PRO 30 2.915 7.739 6.344
185 HB2 PRO 30 HB2 PRO 30 5.585 7.805 7.507
186 HB3 PRO 30 HB3 PRO 30 4.504 9.153 7.162
187 HG2 PRO 30 HG2 PRO 30 4.947 8.392 9.702
188 HG3 PRO 30 HG3 PRO 30 3.347 8.941 9.173
189 HD2 PRO 30 HD2 PRO 30 4.342 6.161 9.638
190 HD3 PRO 30 HD3 PRO 30 2.764 6.859 10.039
191 H TYR 31 H TYR 31 4.719 4.992 7.379
192 HA TYR 31 HA TYR 31 6.007 4.860 4.753
193 HB2 TYR 31 HB2 TYR 31 6.698 3.318 7.249
194 HB3 TYR 31 HB3 TYR 31 7.635 3.398 5.766
195 HD1 TYR 31 HD1 TYR 31 8.834 5.498 5.173
196 HD2 TYR 31 HD2 TYR 31 6.802 5.084 8.888
197 HE1 TYR 31 HE1 TYR 31 10.077 7.404 6.060
198 HE2 TYR 31 HE2 TYR 31 8.051 6.990 9.788
199 HH TYR 31 HH TYR 31 9.919 9.026 7.790
200 H TYR 32 H TYR 32 3.671 3.301 6.827
201 HA TYR 32 HA TYR 32 3.648 0.962 5.072
202 HB2 TYR 32 HB2 TYR 32 3.836 0.382 7.455
203 HB3 TYR 32 HB3 TYR 32 2.327 1.226 7.783
204 HD1 TYR 32 HD1 TYR 32 3.641 -1.472 5.559
205 HD2 TYR 32 HD2 TYR 32 0.327 -0.065 7.864
206 HE1 TYR 32 HE1 TYR 32 2.419 -3.536 5.071
207 HE2 TYR 32 HE2 TYR 32 -0.871 -2.146 7.372
208 HH TYR 32 HH TYR 32 -0.921 -3.944 5.854
209 H SER 33 H SER 33 2.317 1.063 3.518
210 HA SER 33 HA SER 33 -0.361 2.145 3.977
211 HB2 SER 33 HB2 SER 33 1.280 2.263 1.439
212 HB3 SER 33 HB3 SER 33 -0.315 2.993 1.699
213 HG SER 33 HG SER 33 1.536 4.405 1.891
214 H GLN 34 H GLN 34 -1.950 0.752 3.292
215 HA GLN 34 HA GLN 34 -1.001 -1.754 2.086
216 HB2 GLN 34 HB2 GLN 34 -1.565 -1.959 4.513
217 HB3 GLN 34 HB3 GLN 34 -3.203 -1.448 4.136
218 HG2 GLN 34 HG2 GLN 34 -3.535 -3.412 2.772
219 HG3 GLN 34 HG3 GLN 34 -1.878 -3.931 3.072
220 HE21 GLN 34 HE21 GLN 34 -2.459 -5.839 4.052
221 HE22 GLN 34 HE22 GLN 34 -3.232 -5.885 5.591
222 H CYS 35 H CYS 35 -2.443 -2.760 0.671
223 HA CYS 35 HA CYS 35 -4.332 -0.951 -0.620
224 HB2 CYS 35 HB2 CYS 35 -3.406 -3.711 -1.434
225 HB3 CYS 35 HB3 CYS 35 -4.364 -2.610 -2.417
226 H LEU 36 H LEU 36 -6.259 -0.965 0.329
227 HA LEU 36 HA LEU 36 -7.381 -3.534 1.148
228 HB2 LEU 36 HB2 LEU 36 -8.103 -0.757 2.101
229 HB3 LEU 36 HB3 LEU 36 -9.006 -2.194 2.506
230 HG LEU 36 HG LEU 36 -7.721 -1.712 4.392
231 HD11 LEU 36 HD11 LEU 36 -6.251 -3.862 2.945
232 HD12 LEU 36 HD12 LEU 36 -7.717 -4.028 3.912
233 HD13 LEU 36 HD13 LEU 36 -6.201 -3.552 4.679
234 HD21 LEU 36 HD21 LEU 36 -6.184 -0.110 3.442
235 HD22 LEU 36 HD22 LEU 36 -5.285 -1.410 2.655
236 HD23 LEU 36 HD23 LEU 36 -5.331 -1.301 4.419
Start of MODEL 2
1 H1 THR 1 H1 THR 1 1.967 -4.190 -10.705
2 H2 THR 1 H2 THR 1 1.213 -5.494 -9.940
3 H3 THR 1 H3 THR 1 2.720 -4.982 -9.408
4 HA THR 1 HA THR 1 1.686 -2.877 -8.738
5 HB THR 1 HB THR 1 -0.809 -3.041 -8.532
6 HG1 THR 1 HG1 THR 1 -1.532 -4.487 -10.501
7 HG21 THR 1 HG21 THR 1 -1.228 -2.278 -10.844
8 HG22 THR 1 HG22 THR 1 0.334 -2.940 -11.326
9 HG23 THR 1 HG23 THR 1 0.265 -1.595 -10.193
10 H GLN 2 H GLN 2 0.358 -2.890 -6.565
11 HA GLN 2 HA GLN 2 1.295 -5.256 -5.156
12 HB2 GLN 2 HB2 GLN 2 1.673 -2.843 -4.362
13 HB3 GLN 2 HB3 GLN 2 -0.033 -2.868 -3.912
14 HG2 GLN 2 HG2 GLN 2 1.305 -3.462 -2.007
15 HG3 GLN 2 HG3 GLN 2 0.370 -4.862 -2.547
16 HE21 GLN 2 HE21 GLN 2 1.717 -6.449 -1.830
17 HE22 GLN 2 HE22 GLN 2 3.323 -6.673 -2.420
18 H SER 3 H SER 3 0.005 -6.824 -4.525
19 HA SER 3 HA SER 3 -2.717 -6.805 -5.329
20 HB2 SER 3 HB2 SER 3 -1.278 -8.835 -5.400
21 HB3 SER 3 HB3 SER 3 -1.267 -8.865 -3.636
22 HG SER 3 HG SER 3 -2.872 -10.102 -5.097
23 H HIS 4 H HIS 4 -4.203 -7.881 -3.633
24 HA HIS 4 HA HIS 4 -4.988 -5.767 -1.896
25 HB2 HIS 4 HB2 HIS 4 -6.459 -7.520 -3.071
26 HB3 HIS 4 HB3 HIS 4 -6.004 -8.602 -1.764
27 HD1 HIS 4 HD1 HIS 4 -8.805 -8.432 -1.657
28 HD2 HIS 4 HD2 HIS 4 -6.595 -5.226 -0.244
29 HE1 HIS 4 HE1 HIS 4 -10.401 -7.066 -0.298
30 HE2 HIS 4 HE2 HIS 4 -9.088 -4.918 -0.043
31 H TYR 5 H TYR 5 -4.515 -5.410 0.192
32 HA TYR 5 HA TYR 5 -3.841 -5.572 2.254
33 HB2 TYR 5 HB2 TYR 5 -3.918 -8.557 1.829
34 HB3 TYR 5 HB3 TYR 5 -3.373 -7.847 3.341
35 HD1 TYR 5 HD1 TYR 5 -4.967 -6.536 4.737
36 HD2 TYR 5 HD2 TYR 5 -6.248 -8.660 1.280
37 HE1 TYR 5 HE1 TYR 5 -7.280 -6.417 5.534
38 HE2 TYR 5 HE2 TYR 5 -8.571 -8.529 2.060
39 HH TYR 5 HH TYR 5 -9.543 -6.500 4.616
40 H GLY 6 H GLY 6 -1.970 -5.799 -0.218
41 HA2 GLY 6 HA2 GLY 6 0.486 -6.319 1.282
42 HA3 GLY 6 HA3 GLY 6 0.367 -6.025 -0.451
43 H GLN 7 H GLN 7 2.261 -4.651 0.982
44 HA GLN 7 HA GLN 7 1.232 -2.067 1.680
45 HB2 GLN 7 HB2 GLN 7 3.146 -2.883 2.914
46 HB3 GLN 7 HB3 GLN 7 4.092 -3.051 1.433
47 HG2 GLN 7 HG2 GLN 7 3.990 -0.617 1.127
48 HG3 GLN 7 HG3 GLN 7 3.058 -0.472 2.611
49 HE21 GLN 7 HE21 GLN 7 5.600 0.692 1.883
50 HE22 GLN 7 HE22 GLN 7 6.726 0.229 3.082
51 H CYS 8 H CYS 8 0.620 -0.724 0.188
52 HA CYS 8 HA CYS 8 1.489 -0.835 -2.533
53 HB2 CYS 8 HB2 CYS 8 0.388 1.513 -2.441
54 HB3 CYS 8 HB3 CYS 8 -0.653 0.051 -2.434
55 H GLY 9 H GLY 9 1.905 1.632 -0.039
56 HA2 GLY 9 HA2 GLY 9 4.534 2.096 -0.623
57 HA3 GLY 9 HA3 GLY 9 3.606 3.073 -1.753
58 H GLY 10 H GLY 10 4.914 2.831 1.243
59 HA2 GLY 10 HA2 GLY 10 3.519 5.224 2.063
60 HA3 GLY 10 HA3 GLY 10 4.436 4.162 3.135
61 H ILE 11 H ILE 11 5.785 6.069 3.684
62 HA ILE 11 HA ILE 11 7.589 7.213 1.827
63 HB ILE 11 HB ILE 11 7.943 6.778 4.810
64 HG12 ILE 11 HG12 ILE 11 6.984 9.245 3.343
65 HG13 ILE 11 HG13 ILE 11 5.949 8.136 4.242
66 HG21 ILE 11 HG21 ILE 11 10.076 7.198 3.754
67 HG22 ILE 11 HG22 ILE 11 9.592 8.604 4.704
68 HG23 ILE 11 HG23 ILE 11 9.430 8.626 2.949
69 HD11 ILE 11 HD11 ILE 11 6.460 10.136 5.536
70 HD12 ILE 11 HD12 ILE 11 8.181 9.791 5.383
71 HD13 ILE 11 HD13 ILE 11 7.141 8.695 6.289
72 H GLY 12 H GLY 12 9.270 6.318 0.835
73 HA2 GLY 12 HA2 GLY 12 11.383 5.220 0.912
74 HA3 GLY 12 HA3 GLY 12 10.772 4.211 2.213
75 H TYR 13 H TYR 13 8.275 4.092 0.324
76 HA TYR 13 HA TYR 13 9.215 1.617 -0.907
77 HB2 TYR 13 HB2 TYR 13 7.032 1.823 0.429
78 HB3 TYR 13 HB3 TYR 13 6.412 2.726 -0.946
79 HD1 TYR 13 HD1 TYR 13 6.762 -0.475 0.499
80 HD2 TYR 13 HD2 TYR 13 6.558 1.477 -3.263
81 HE1 TYR 13 HE1 TYR 13 6.117 -2.592 -0.557
82 HE2 TYR 13 HE2 TYR 13 5.906 -0.629 -4.323
83 HH TYR 13 HH TYR 13 4.761 -3.189 -2.759
84 H SER 14 H SER 14 10.063 1.806 -2.888
85 HA SER 14 HA SER 14 9.152 4.003 -4.603
86 HB2 SER 14 HB2 SER 14 11.411 3.628 -5.676
87 HB3 SER 14 HB3 SER 14 11.431 4.246 -4.021
88 HG SER 14 HG SER 14 12.877 2.594 -4.086
89 H GLY 15 H GLY 15 8.447 0.891 -4.284
90 HA2 GLY 15 HA2 GLY 15 8.829 0.124 -7.078
91 HA3 GLY 15 HA3 GLY 15 8.345 -0.940 -5.763
92 HA PRO 16 HA PRO 16 4.430 -0.489 -8.040
93 HB2 PRO 16 HB2 PRO 16 3.665 -2.684 -6.217
94 HB3 PRO 16 HB3 PRO 16 3.577 -2.604 -7.978
95 HG2 PRO 16 HG2 PRO 16 5.383 -4.104 -6.739
96 HG3 PRO 16 HG3 PRO 16 5.735 -3.243 -8.253
97 HD2 PRO 16 HD2 PRO 16 6.516 -2.546 -5.439
98 HD3 PRO 16 HD3 PRO 16 7.468 -2.435 -6.936
99 H THR 17 H THR 17 4.035 1.531 -6.941
100 HA THR 17 HA THR 17 2.825 1.394 -4.358
101 HB THR 17 HB THR 17 2.503 3.887 -4.741
102 HG1 THR 17 HG1 THR 17 4.344 4.094 -6.710
103 HG21 THR 17 HG21 THR 17 4.867 4.390 -4.394
104 HG22 THR 17 HG22 THR 17 5.304 2.821 -5.073
105 HG23 THR 17 HG23 THR 17 4.440 2.895 -3.542
106 H VAL 18 H VAL 18 1.854 1.084 -7.524
107 HA VAL 18 HA VAL 18 -0.873 1.955 -7.169
108 HB VAL 18 HB VAL 18 0.371 0.330 -9.403
109 HG11 VAL 18 HG11 VAL 18 -2.213 1.891 -9.325
110 HG12 VAL 18 HG12 VAL 18 -2.062 0.137 -9.293
111 HG13 VAL 18 HG13 VAL 18 -1.554 1.038 -10.724
112 HG21 VAL 18 HG21 VAL 18 0.473 2.446 -10.657
113 HG22 VAL 18 HG22 VAL 18 1.467 2.501 -9.198
114 HG23 VAL 18 HG23 VAL 18 -0.101 3.306 -9.229
115 H CYS 19 H CYS 19 -2.496 0.675 -6.489
116 HA CYS 19 HA CYS 19 -1.840 -2.005 -5.657
117 HB2 CYS 19 HB2 CYS 19 -4.313 -0.327 -5.216
118 HB3 CYS 19 HB3 CYS 19 -4.030 -1.918 -4.534
119 H ALA 20 H ALA 20 -3.531 -3.663 -5.958
120 HA ALA 20 HA ALA 20 -4.048 -4.280 -8.612
121 HB1 ALA 20 HB1 ALA 20 -5.490 -6.046 -7.701
122 HB2 ALA 20 HB2 ALA 20 -5.413 -5.278 -6.111
123 HB3 ALA 20 HB3 ALA 20 -3.954 -5.941 -6.844
124 H SER 21 H SER 21 -6.074 -4.437 -9.722
125 HA SER 21 HA SER 21 -7.607 -2.087 -9.649
126 HB2 SER 21 HB2 SER 21 -8.280 -4.724 -10.956
127 HB3 SER 21 HB3 SER 21 -8.877 -3.129 -11.418
128 HG SER 21 HG SER 21 -6.339 -2.807 -11.502
129 H GLY 22 H GLY 22 -9.012 -1.613 -8.082
130 HA2 GLY 22 HA2 GLY 22 -11.197 -2.032 -7.164
131 HA3 GLY 22 HA3 GLY 22 -10.776 -3.739 -7.084
132 H THR 23 H THR 23 -8.106 -1.933 -6.185
133 HA THR 23 HA THR 23 -8.952 -1.964 -3.385
134 HB THR 23 HB THR 23 -6.618 -2.596 -2.726
135 HG1 THR 23 HG1 THR 23 -6.316 -2.708 -5.531
136 HG21 THR 23 HG21 THR 23 -6.783 -4.972 -3.317
137 HG22 THR 23 HG22 THR 23 -8.004 -4.575 -4.526
138 HG23 THR 23 HG23 THR 23 -8.337 -4.314 -2.811
139 H THR 24 H THR 24 -7.945 -0.438 -2.027
140 HA THR 24 HA THR 24 -6.941 1.900 -3.492
141 HB THR 24 HB THR 24 -7.878 3.181 -1.511
142 HG1 THR 24 HG1 THR 24 -8.751 0.573 -0.872
143 HG21 THR 24 HG21 THR 24 -9.814 1.680 -3.276
144 HG22 THR 24 HG22 THR 24 -8.975 3.180 -3.683
145 HG23 THR 24 HG23 THR 24 -10.179 3.166 -2.393
146 H CYS 25 H CYS 25 -5.109 2.910 -2.718
147 HA CYS 25 HA CYS 25 -3.611 1.447 -0.747
148 HB2 CYS 25 HB2 CYS 25 -2.389 2.275 -2.708
149 HB3 CYS 25 HB3 CYS 25 -2.870 3.927 -2.335
150 H GLN 26 H GLN 26 -4.041 1.806 1.273
151 HA GLN 26 HA GLN 26 -4.754 4.517 2.086
152 HB2 GLN 26 HB2 GLN 26 -5.409 1.870 3.392
153 HB3 GLN 26 HB3 GLN 26 -5.888 3.447 4.010
154 HG2 GLN 26 HG2 GLN 26 -7.233 3.858 2.037
155 HG3 GLN 26 HG3 GLN 26 -6.697 2.343 1.329
156 HE21 GLN 26 HE21 GLN 26 -8.768 1.623 1.103
157 HE22 GLN 26 HE22 GLN 26 -9.738 1.100 2.421
158 H VAL 27 H VAL 27 -3.188 5.534 3.032
159 HA VAL 27 HA VAL 27 -0.864 4.155 3.994
160 HB VAL 27 HB VAL 27 -1.406 7.167 4.047
161 HG11 VAL 27 HG11 VAL 27 1.119 5.636 4.289
162 HG12 VAL 27 HG12 VAL 27 0.332 6.620 5.526
163 HG13 VAL 27 HG13 VAL 27 1.002 7.383 4.079
164 HG21 VAL 27 HG21 VAL 27 -0.126 7.299 1.980
165 HG22 VAL 27 HG22 VAL 27 -1.585 6.328 1.759
166 HG23 VAL 27 HG23 VAL 27 -0.016 5.540 1.927
167 H LEU 28 H LEU 28 -1.175 3.144 5.780
168 HA LEU 28 HA LEU 28 -2.977 3.981 7.888
169 HB2 LEU 28 HB2 LEU 28 -1.000 1.698 7.832
170 HB3 LEU 28 HB3 LEU 28 -2.338 1.883 8.944
171 HG LEU 28 HG LEU 28 -2.617 1.422 5.968
172 HD11 LEU 28 HD11 LEU 28 -3.428 -0.788 6.612
173 HD12 LEU 28 HD12 LEU 28 -3.004 -0.447 8.292
174 HD13 LEU 28 HD13 LEU 28 -1.746 -0.539 7.064
175 HD21 LEU 28 HD21 LEU 28 -4.968 1.041 6.481
176 HD22 LEU 28 HD22 LEU 28 -4.470 2.687 6.886
177 HD23 LEU 28 HD23 LEU 28 -4.667 1.480 8.164
178 H ASN 29 H ASN 29 0.435 3.553 7.428
179 HA ASN 29 HA ASN 29 1.012 5.383 9.647
180 HB2 ASN 29 HB2 ASN 29 2.657 2.949 8.791
181 HB3 ASN 29 HB3 ASN 29 3.156 4.155 9.968
182 HD21 ASN 29 HD21 ASN 29 1.174 1.405 9.367
183 HD22 ASN 29 HD22 ASN 29 0.734 1.096 10.993
184 HA PRO 30 HA PRO 30 2.940 7.679 6.441
185 HB2 PRO 30 HB2 PRO 30 5.574 7.594 7.771
186 HB3 PRO 30 HB3 PRO 30 4.620 8.997 7.286
187 HG2 PRO 30 HG2 PRO 30 4.811 8.319 9.865
188 HG3 PRO 30 HG3 PRO 30 3.293 8.934 9.190
189 HD2 PRO 30 HD2 PRO 30 4.049 6.113 9.868
190 HD3 PRO 30 HD3 PRO 30 2.493 6.929 10.059
191 H TYR 31 H TYR 31 4.713 4.908 7.584
192 HA TYR 31 HA TYR 31 6.067 4.653 4.979
193 HB2 TYR 31 HB2 TYR 31 6.581 3.135 7.541
194 HB3 TYR 31 HB3 TYR 31 7.554 3.084 6.078
195 HD1 TYR 31 HD1 TYR 31 6.529 5.214 8.921
196 HD2 TYR 31 HD2 TYR 31 9.199 4.752 5.646
197 HE1 TYR 31 HE1 TYR 31 7.868 7.063 9.769
198 HE2 TYR 31 HE2 TYR 31 10.553 6.617 6.493
199 HH TYR 31 HH TYR 31 10.085 7.888 9.616
200 H TYR 32 H TYR 32 3.611 3.183 7.003
201 HA TYR 32 HA TYR 32 3.637 0.872 5.213
202 HB2 TYR 32 HB2 TYR 32 3.780 0.401 7.724
203 HB3 TYR 32 HB3 TYR 32 2.138 1.011 7.827
204 HD1 TYR 32 HD1 TYR 32 0.246 -0.347 7.160
205 HD2 TYR 32 HD2 TYR 32 4.225 -1.651 6.364
206 HE1 TYR 32 HE1 TYR 32 -0.602 -2.578 6.542
207 HE2 TYR 32 HE2 TYR 32 3.382 -3.869 5.744
208 HH TYR 32 HH TYR 32 1.459 -5.230 6.238
209 H SER 33 H SER 33 2.294 1.051 3.634
210 HA SER 33 HA SER 33 -0.353 2.197 4.130
211 HB2 SER 33 HB2 SER 33 1.220 2.262 1.555
212 HB3 SER 33 HB3 SER 33 -0.290 3.105 1.906
213 HG SER 33 HG SER 33 1.666 4.368 2.010
214 H GLN 34 H GLN 34 -1.984 0.862 3.370
215 HA GLN 34 HA GLN 34 -0.995 -1.630 2.173
216 HB2 GLN 34 HB2 GLN 34 -1.590 -1.784 4.599
217 HB3 GLN 34 HB3 GLN 34 -3.238 -1.368 4.168
218 HG2 GLN 34 HG2 GLN 34 -3.430 -3.380 2.850
219 HG3 GLN 34 HG3 GLN 34 -1.748 -3.797 3.197
220 HE21 GLN 34 HE21 GLN 34 -2.210 -5.698 4.224
221 HE22 GLN 34 HE22 GLN 34 -2.993 -5.785 5.748
222 H CYS 35 H CYS 35 -2.292 -2.586 0.667
223 HA CYS 35 HA CYS 35 -4.221 -0.856 -0.644
224 HB2 CYS 35 HB2 CYS 35 -3.208 -3.606 -1.404
225 HB3 CYS 35 HB3 CYS 35 -4.252 -2.597 -2.397
226 H LEU 36 H LEU 36 -6.154 -0.865 0.245
227 HA LEU 36 HA LEU 36 -7.284 -3.443 1.008
228 HB2 LEU 36 HB2 LEU 36 -8.038 -0.702 2.050
229 HB3 LEU 36 HB3 LEU 36 -8.908 -2.170 2.413
230 HG LEU 36 HG LEU 36 -7.679 -1.792 4.312
231 HD11 LEU 36 HD11 LEU 36 -7.429 -4.068 3.691
232 HD12 LEU 36 HD12 LEU 36 -5.975 -3.503 4.505
233 HD13 LEU 36 HD13 LEU 36 -5.983 -3.692 2.758
234 HD21 LEU 36 HD21 LEU 36 -6.300 0.017 3.531
235 HD22 LEU 36 HD22 LEU 36 -5.262 -1.117 2.658
236 HD23 LEU 36 HD23 LEU 36 -5.335 -1.156 4.421
Start of MODEL 3
1 H1 THR 1 H1 THR 1 2.157 -5.955 -9.641
2 H2 THR 1 H2 THR 1 3.438 -4.907 -9.249
3 H3 THR 1 H3 THR 1 2.487 -4.665 -10.660
4 HA THR 1 HA THR 1 1.847 -3.143 -8.938
5 HB THR 1 HB THR 1 -0.287 -5.180 -9.538
6 HG1 THR 1 HG1 THR 1 -0.234 -4.237 -11.701
7 HG21 THR 1 HG21 THR 1 -0.117 -2.179 -9.681
8 HG22 THR 1 HG22 THR 1 -0.926 -3.103 -8.415
9 HG23 THR 1 HG23 THR 1 -1.549 -3.133 -10.075
10 H GLN 2 H GLN 2 0.506 -3.042 -6.822
11 HA GLN 2 HA GLN 2 1.410 -5.208 -5.125
12 HB2 GLN 2 HB2 GLN 2 1.910 -2.832 -4.555
13 HB3 GLN 2 HB3 GLN 2 0.190 -2.564 -4.364
14 HG2 GLN 2 HG2 GLN 2 1.347 -2.885 -2.227
15 HG3 GLN 2 HG3 GLN 2 0.092 -4.084 -2.515
16 HE21 GLN 2 HE21 GLN 2 0.648 -6.201 -2.679
17 HE22 GLN 2 HE22 GLN 2 2.253 -6.794 -2.405
18 H SER 3 H SER 3 0.111 -6.765 -4.656
19 HA SER 3 HA SER 3 -2.603 -6.846 -5.348
20 HB2 SER 3 HB2 SER 3 -0.944 -8.670 -3.630
21 HB3 SER 3 HB3 SER 3 -2.502 -9.081 -4.355
22 HG SER 3 HG SER 3 -0.003 -8.989 -5.453
23 H HIS 4 H HIS 4 -4.270 -7.660 -3.748
24 HA HIS 4 HA HIS 4 -4.911 -5.658 -1.903
25 HB2 HIS 4 HB2 HIS 4 -6.482 -7.303 -3.104
26 HB3 HIS 4 HB3 HIS 4 -6.020 -8.477 -1.883
27 HD1 HIS 4 HD1 HIS 4 -8.703 -8.414 -1.398
28 HD2 HIS 4 HD2 HIS 4 -6.586 -5.005 -0.385
29 HE1 HIS 4 HE1 HIS 4 -10.252 -7.056 0.025
30 HE2 HIS 4 HE2 HIS 4 -9.070 -4.833 0.062
31 H TYR 5 H TYR 5 -4.487 -5.401 0.195
32 HA TYR 5 HA TYR 5 -3.792 -5.632 2.256
33 HB2 TYR 5 HB2 TYR 5 -3.570 -8.615 1.750
34 HB3 TYR 5 HB3 TYR 5 -3.363 -7.847 3.322
35 HD1 TYR 5 HD1 TYR 5 -5.652 -9.465 1.235
36 HD2 TYR 5 HD2 TYR 5 -5.355 -6.257 4.004
37 HE1 TYR 5 HE1 TYR 5 -8.084 -9.527 1.568
38 HE2 TYR 5 HE2 TYR 5 -7.776 -6.315 4.344
39 HH TYR 5 HH TYR 5 -9.707 -8.856 3.241
40 H GLY 6 H GLY 6 -2.014 -5.725 -0.288
41 HA2 GLY 6 HA2 GLY 6 0.505 -6.265 1.047
42 HA3 GLY 6 HA3 GLY 6 0.281 -5.859 -0.655
43 H GLN 7 H GLN 7 2.217 -4.578 0.669
44 HA GLN 7 HA GLN 7 1.220 -2.056 1.680
45 HB2 GLN 7 HB2 GLN 7 3.150 -3.220 2.716
46 HB3 GLN 7 HB3 GLN 7 4.035 -3.019 1.210
47 HG2 GLN 7 HG2 GLN 7 3.823 -0.561 1.483
48 HG3 GLN 7 HG3 GLN 7 3.063 -0.843 3.048
49 HE21 GLN 7 HE21 GLN 7 5.483 0.565 2.450
50 HE22 GLN 7 HE22 GLN 7 6.729 -0.226 3.330
51 H CYS 8 H CYS 8 0.446 -0.769 0.034
52 HA CYS 8 HA CYS 8 1.448 -0.730 -2.606
53 HB2 CYS 8 HB2 CYS 8 0.425 1.659 -2.509
54 HB3 CYS 8 HB3 CYS 8 -0.672 0.241 -2.558
55 H GLY 9 H GLY 9 2.041 1.440 0.071
56 HA2 GLY 9 HA2 GLY 9 4.633 1.746 -0.176
57 HA3 GLY 9 HA3 GLY 9 4.073 2.672 -1.560
58 H GLY 10 H GLY 10 4.998 2.787 1.513
59 HA2 GLY 10 HA2 GLY 10 3.616 5.290 2.022
60 HA3 GLY 10 HA3 GLY 10 4.453 4.293 3.209
61 H ILE 11 H ILE 11 5.808 6.227 3.687
62 HA ILE 11 HA ILE 11 7.687 7.209 1.812
63 HB ILE 11 HB ILE 11 7.880 7.069 4.843
64 HG12 ILE 11 HG12 ILE 11 7.029 9.359 3.052
65 HG13 ILE 11 HG13 ILE 11 5.933 8.355 3.992
66 HG21 ILE 11 HG21 ILE 11 9.560 8.855 4.654
67 HG22 ILE 11 HG22 ILE 11 9.485 8.736 2.898
68 HG23 ILE 11 HG23 ILE 11 10.086 7.376 3.849
69 HD11 ILE 11 HD11 ILE 11 8.060 10.172 5.099
70 HD12 ILE 11 HD12 ILE 11 6.967 9.171 6.053
71 HD13 ILE 11 HD13 ILE 11 6.326 10.493 5.074
72 H GLY 12 H GLY 12 9.366 6.159 0.908
73 HA2 GLY 12 HA2 GLY 12 11.445 5.022 1.168
74 HA3 GLY 12 HA3 GLY 12 10.736 4.099 2.485
75 H TYR 13 H TYR 13 8.336 4.091 0.406
76 HA TYR 13 HA TYR 13 9.322 1.674 -0.964
77 HB2 TYR 13 HB2 TYR 13 7.488 1.402 0.787
78 HB3 TYR 13 HB3 TYR 13 6.472 2.379 -0.253
79 HD1 TYR 13 HD1 TYR 13 7.165 -0.876 0.705
80 HD2 TYR 13 HD2 TYR 13 6.393 1.374 -2.818
81 HE1 TYR 13 HE1 TYR 13 6.411 -2.924 -0.434
82 HE2 TYR 13 HE2 TYR 13 5.636 -0.659 -3.958
83 HH TYR 13 HH TYR 13 4.774 -3.394 -2.424
84 H SER 14 H SER 14 9.742 2.226 -3.054
85 HA SER 14 HA SER 14 7.890 4.077 -4.377
86 HB2 SER 14 HB2 SER 14 9.925 4.626 -5.795
87 HB3 SER 14 HB3 SER 14 9.981 5.165 -4.114
88 HG SER 14 HG SER 14 11.547 3.379 -5.435
89 H GLY 15 H GLY 15 8.162 0.995 -4.191
90 HA2 GLY 15 HA2 GLY 15 8.688 0.183 -6.931
91 HA3 GLY 15 HA3 GLY 15 8.179 -0.844 -5.600
92 HA PRO 16 HA PRO 16 4.275 -0.756 -7.954
93 HB2 PRO 16 HB2 PRO 16 3.511 -2.761 -5.946
94 HB3 PRO 16 HB3 PRO 16 3.549 -2.903 -7.704
95 HG2 PRO 16 HG2 PRO 16 5.315 -4.185 -6.166
96 HG3 PRO 16 HG3 PRO 16 5.756 -3.512 -7.744
97 HD2 PRO 16 HD2 PRO 16 6.283 -2.415 -5.011
98 HD3 PRO 16 HD3 PRO 16 7.353 -2.495 -6.432
99 H THR 17 H THR 17 4.090 1.405 -6.924
100 HA THR 17 HA THR 17 2.684 1.551 -4.434
101 HB THR 17 HB THR 17 2.611 4.026 -5.032
102 HG1 THR 17 HG1 THR 17 4.512 4.112 -6.802
103 HG21 THR 17 HG21 THR 17 5.013 4.339 -4.608
104 HG22 THR 17 HG22 THR 17 5.304 2.652 -5.035
105 HG23 THR 17 HG23 THR 17 4.359 3.044 -3.602
106 H VAL 18 H VAL 18 1.778 0.619 -7.301
107 HA VAL 18 HA VAL 18 -0.879 1.840 -7.256
108 HB VAL 18 HB VAL 18 0.272 -0.029 -9.336
109 HG11 VAL 18 HG11 VAL 18 -2.148 0.102 -9.333
110 HG12 VAL 18 HG12 VAL 18 -1.502 0.884 -10.774
111 HG13 VAL 18 HG13 VAL 18 -2.074 1.861 -9.422
112 HG21 VAL 18 HG21 VAL 18 0.248 2.988 -9.398
113 HG22 VAL 18 HG22 VAL 18 0.723 1.931 -10.731
114 HG23 VAL 18 HG23 VAL 18 1.676 1.962 -9.246
115 H CYS 19 H CYS 19 -2.534 0.623 -6.580
116 HA CYS 19 HA CYS 19 -1.900 -2.013 -5.590
117 HB2 CYS 19 HB2 CYS 19 -4.341 -0.276 -5.237
118 HB3 CYS 19 HB3 CYS 19 -4.123 -1.865 -4.515
119 H ALA 20 H ALA 20 -3.351 -3.734 -5.924
120 HA ALA 20 HA ALA 20 -3.956 -4.350 -8.545
121 HB1 ALA 20 HB1 ALA 20 -3.705 -6.040 -6.835
122 HB2 ALA 20 HB2 ALA 20 -5.289 -6.196 -7.607
123 HB3 ALA 20 HB3 ALA 20 -5.150 -5.458 -6.009
124 H SER 21 H SER 21 -5.852 -4.371 -9.712
125 HA SER 21 HA SER 21 -7.454 -2.159 -9.525
126 HB2 SER 21 HB2 SER 21 -8.804 -3.484 -11.260
127 HB3 SER 21 HB3 SER 21 -7.106 -3.149 -11.617
128 HG SER 21 HG SER 21 -8.372 -5.514 -10.930
129 H GLY 22 H GLY 22 -9.033 -1.703 -8.183
130 HA2 GLY 22 HA2 GLY 22 -11.278 -2.274 -7.389
131 HA3 GLY 22 HA3 GLY 22 -10.690 -3.907 -7.162
132 H THR 23 H THR 23 -8.195 -2.094 -6.121
133 HA THR 23 HA THR 23 -9.312 -1.975 -3.405
134 HB THR 23 HB THR 23 -7.093 -2.620 -2.508
135 HG1 THR 23 HG1 THR 23 -6.414 -2.829 -5.284
136 HG21 THR 23 HG21 THR 23 -8.137 -4.538 -4.591
137 HG22 THR 23 HG22 THR 23 -8.734 -4.376 -2.939
138 HG23 THR 23 HG23 THR 23 -7.097 -4.964 -3.232
139 H THR 24 H THR 24 -8.027 -0.457 -1.938
140 HA THR 24 HA THR 24 -7.131 1.879 -3.488
141 HB THR 24 HB THR 24 -7.979 3.237 -1.539
142 HG1 THR 24 HG1 THR 24 -8.749 0.667 -0.695
143 HG21 THR 24 HG21 THR 24 -9.244 3.091 -3.623
144 HG22 THR 24 HG22 THR 24 -10.343 3.136 -2.242
145 HG23 THR 24 HG23 THR 24 -10.014 1.607 -3.063
146 H CYS 25 H CYS 25 -5.368 3.047 -2.662
147 HA CYS 25 HA CYS 25 -3.732 1.550 -0.794
148 HB2 CYS 25 HB2 CYS 25 -2.586 2.334 -2.804
149 HB3 CYS 25 HB3 CYS 25 -3.082 3.988 -2.467
150 H GLN 26 H GLN 26 -4.037 1.948 1.240
151 HA GLN 26 HA GLN 26 -4.718 4.678 2.061
152 HB2 GLN 26 HB2 GLN 26 -5.285 2.033 3.402
153 HB3 GLN 26 HB3 GLN 26 -5.697 3.602 4.078
154 HG2 GLN 26 HG2 GLN 26 -7.227 4.040 2.270
155 HG3 GLN 26 HG3 GLN 26 -6.731 2.565 1.449
156 HE21 GLN 26 HE21 GLN 26 -8.801 1.794 1.411
157 HE22 GLN 26 HE22 GLN 26 -9.593 1.172 2.818
158 H VAL 27 H VAL 27 -3.026 5.694 2.847
159 HA VAL 27 HA VAL 27 -0.728 4.295 3.834
160 HB VAL 27 HB VAL 27 -1.266 7.309 3.953
161 HG11 VAL 27 HG11 VAL 27 0.495 6.612 5.430
162 HG12 VAL 27 HG12 VAL 27 1.108 7.577 4.087
163 HG13 VAL 27 HG13 VAL 27 1.323 5.828 4.085
164 HG21 VAL 27 HG21 VAL 27 -1.437 6.523 1.647
165 HG22 VAL 27 HG22 VAL 27 0.127 5.727 1.800
166 HG23 VAL 27 HG23 VAL 27 0.023 7.486 1.886
167 H LEU 28 H LEU 28 -1.008 3.272 5.663
168 HA LEU 28 HA LEU 28 -2.846 4.189 7.709
169 HB2 LEU 28 HB2 LEU 28 -1.013 1.788 7.726
170 HB3 LEU 28 HB3 LEU 28 -2.385 2.064 8.771
171 HG LEU 28 HG LEU 28 -2.471 1.474 5.812
172 HD11 LEU 28 HD11 LEU 28 -3.602 -0.576 6.501
173 HD12 LEU 28 HD12 LEU 28 -3.360 -0.131 8.190
174 HD13 LEU 28 HD13 LEU 28 -1.968 -0.461 7.154
175 HD21 LEU 28 HD21 LEU 28 -4.243 3.019 6.380
176 HD22 LEU 28 HD22 LEU 28 -4.728 1.991 7.734
177 HD23 LEU 28 HD23 LEU 28 -4.903 1.408 6.074
178 H ASN 29 H ASN 29 0.514 3.295 7.487
179 HA ASN 29 HA ASN 29 1.181 5.066 9.748
180 HB2 ASN 29 HB2 ASN 29 2.747 2.703 8.583
181 HB3 ASN 29 HB3 ASN 29 3.285 3.712 9.906
182 HD21 ASN 29 HD21 ASN 29 2.874 0.832 9.808
183 HD22 ASN 29 HD22 ASN 29 1.727 0.466 11.038
184 HA PRO 30 HA PRO 30 3.137 7.551 6.671
185 HB2 PRO 30 HB2 PRO 30 5.818 7.417 7.791
186 HB3 PRO 30 HB3 PRO 30 4.772 8.825 7.616
187 HG2 PRO 30 HG2 PRO 30 5.290 7.755 10.044
188 HG3 PRO 30 HG3 PRO 30 3.728 8.490 9.654
189 HD2 PRO 30 HD2 PRO 30 4.499 5.615 9.807
190 HD3 PRO 30 HD3 PRO 30 2.986 6.380 10.316
191 H TYR 31 H TYR 31 4.812 4.681 7.587
192 HA TYR 31 HA TYR 31 6.177 4.575 4.976
193 HB2 TYR 31 HB2 TYR 31 6.632 2.792 7.360
194 HB3 TYR 31 HB3 TYR 31 7.677 3.020 5.964
195 HD1 TYR 31 HD1 TYR 31 8.799 5.272 5.671
196 HD2 TYR 31 HD2 TYR 31 6.848 4.148 9.278
197 HE1 TYR 31 HE1 TYR 31 10.032 7.009 6.868
198 HE2 TYR 31 HE2 TYR 31 8.087 5.877 10.494
199 HH TYR 31 HH TYR 31 9.769 8.332 8.940
200 H TYR 32 H TYR 32 3.702 3.071 6.932
201 HA TYR 32 HA TYR 32 3.631 0.834 5.060
202 HB2 TYR 32 HB2 TYR 32 3.813 0.208 7.472
203 HB3 TYR 32 HB3 TYR 32 2.253 0.978 7.749
204 HD1 TYR 32 HD1 TYR 32 0.189 -0.173 7.231
205 HD2 TYR 32 HD2 TYR 32 3.943 -1.796 6.017
206 HE1 TYR 32 HE1 TYR 32 -0.909 -2.292 6.645
207 HE2 TYR 32 HE2 TYR 32 2.844 -3.904 5.430
208 HH TYR 32 HH TYR 32 -0.607 -4.218 5.348
209 H SER 33 H SER 33 2.316 1.117 3.517
210 HA SER 33 HA SER 33 -0.307 2.295 4.030
211 HB2 SER 33 HB2 SER 33 1.337 2.366 1.486
212 HB3 SER 33 HB3 SER 33 -0.205 3.194 1.767
213 HG SER 33 HG SER 33 1.693 4.492 1.959
214 H GLN 34 H GLN 34 -1.973 1.013 3.156
215 HA GLN 34 HA GLN 34 -0.990 -1.485 1.991
216 HB2 GLN 34 HB2 GLN 34 -1.469 -1.714 4.416
217 HB3 GLN 34 HB3 GLN 34 -3.134 -1.271 4.094
218 HG2 GLN 34 HG2 GLN 34 -3.451 -3.253 2.774
219 HG3 GLN 34 HG3 GLN 34 -1.748 -3.698 2.961
220 HE21 GLN 34 HE21 GLN 34 -2.089 -5.625 4.058
221 HE22 GLN 34 HE22 GLN 34 -2.798 -5.661 5.624
222 H CYS 35 H CYS 35 -2.375 -2.520 0.626
223 HA CYS 35 HA CYS 35 -4.323 -0.801 -0.664
224 HB2 CYS 35 HB2 CYS 35 -3.337 -3.559 -1.420
225 HB3 CYS 35 HB3 CYS 35 -4.348 -2.514 -2.411
226 H LEU 36 H LEU 36 -6.206 -0.807 0.282
227 HA LEU 36 HA LEU 36 -7.335 -3.342 1.194
228 HB2 LEU 36 HB2 LEU 36 -7.995 -0.537 2.129
229 HB3 LEU 36 HB3 LEU 36 -8.910 -1.956 2.569
230 HG LEU 36 HG LEU 36 -7.616 -1.501 4.422
231 HD11 LEU 36 HD11 LEU 36 -7.562 -3.816 3.936
232 HD12 LEU 36 HD12 LEU 36 -6.058 -3.307 4.698
233 HD13 LEU 36 HD13 LEU 36 -6.104 -3.615 2.964
234 HD21 LEU 36 HD21 LEU 36 -5.203 -1.124 2.672
235 HD22 LEU 36 HD22 LEU 36 -5.231 -1.044 4.437
236 HD23 LEU 36 HD23 LEU 36 -6.125 0.140 3.486
Start of MODEL 4
1 H1 THR 1 H1 THR 1 2.844 -4.586 -10.481
2 H2 THR 1 H2 THR 1 2.242 -5.961 -9.669
3 H3 THR 1 H3 THR 1 3.394 -4.996 -8.927
4 HA THR 1 HA THR 1 1.841 -3.192 -8.822
5 HB THR 1 HB THR 1 -0.201 -5.087 -9.933
6 HG1 THR 1 HG1 THR 1 0.291 -4.419 -11.982
7 HG21 THR 1 HG21 THR 1 0.066 -2.089 -9.791
8 HG22 THR 1 HG22 THR 1 -0.985 -3.078 -8.781
9 HG23 THR 1 HG23 THR 1 -1.308 -2.922 -10.517
10 H GLN 2 H GLN 2 0.709 -3.072 -6.828
11 HA GLN 2 HA GLN 2 1.305 -5.350 -5.200
12 HB2 GLN 2 HB2 GLN 2 1.799 -2.950 -4.619
13 HB3 GLN 2 HB3 GLN 2 0.075 -2.731 -4.392
14 HG2 GLN 2 HG2 GLN 2 1.265 -3.073 -2.283
15 HG3 GLN 2 HG3 GLN 2 0.064 -4.323 -2.584
16 HE21 GLN 2 HE21 GLN 2 0.723 -6.433 -2.788
17 HE22 GLN 2 HE22 GLN 2 2.360 -6.925 -2.570
18 H SER 3 H SER 3 -0.049 -6.879 -4.623
19 HA SER 3 HA SER 3 -2.742 -6.900 -5.404
20 HB2 SER 3 HB2 SER 3 -2.513 -9.102 -4.022
21 HB3 SER 3 HB3 SER 3 -1.645 -8.927 -5.551
22 HG SER 3 HG SER 3 -0.247 -9.675 -3.983
23 H HIS 4 H HIS 4 -4.373 -7.773 -3.729
24 HA HIS 4 HA HIS 4 -4.991 -5.712 -1.926
25 HB2 HIS 4 HB2 HIS 4 -6.556 -7.327 -3.113
26 HB3 HIS 4 HB3 HIS 4 -6.124 -8.518 -1.895
27 HD1 HIS 4 HD1 HIS 4 -8.751 -8.467 -1.386
28 HD2 HIS 4 HD2 HIS 4 -6.685 -4.997 -0.488
29 HE1 HIS 4 HE1 HIS 4 -10.326 -7.082 -0.032
30 HE2 HIS 4 HE2 HIS 4 -9.148 -4.836 -0.005
31 H TYR 5 H TYR 5 -4.587 -5.449 0.185
32 HA TYR 5 HA TYR 5 -3.825 -5.648 2.225
33 HB2 TYR 5 HB2 TYR 5 -3.842 -8.630 1.727
34 HB3 TYR 5 HB3 TYR 5 -3.330 -7.921 3.253
35 HD1 TYR 5 HD1 TYR 5 -4.968 -6.737 4.673
36 HD2 TYR 5 HD2 TYR 5 -6.154 -8.766 1.134
37 HE1 TYR 5 HE1 TYR 5 -7.296 -6.705 5.446
38 HE2 TYR 5 HE2 TYR 5 -8.486 -8.725 1.886
39 HH TYR 5 HH TYR 5 -9.522 -6.808 4.471
40 H GLY 6 H GLY 6 -2.085 -5.858 -0.350
41 HA2 GLY 6 HA2 GLY 6 0.453 -6.465 0.931
42 HA3 GLY 6 HA3 GLY 6 0.199 -6.018 -0.758
43 H GLN 7 H GLN 7 2.212 -4.789 0.517
44 HA GLN 7 HA GLN 7 1.221 -2.280 1.610
45 HB2 GLN 7 HB2 GLN 7 3.154 -3.342 2.705
46 HB3 GLN 7 HB3 GLN 7 4.054 -3.238 1.191
47 HG2 GLN 7 HG2 GLN 7 3.851 -0.780 1.272
48 HG3 GLN 7 HG3 GLN 7 3.019 -0.909 2.811
49 HE21 GLN 7 HE21 GLN 7 5.407 0.479 2.137
50 HE22 GLN 7 HE22 GLN 7 6.692 -0.120 3.101
51 H CYS 8 H CYS 8 0.446 -0.947 0.053
52 HA CYS 8 HA CYS 8 1.590 -0.708 -2.536
53 HB2 CYS 8 HB2 CYS 8 0.421 1.576 -2.442
54 HB3 CYS 8 HB3 CYS 8 -0.621 0.123 -2.457
55 H GLY 9 H GLY 9 2.118 0.861 0.486
56 HA2 GLY 9 HA2 GLY 9 4.492 1.331 0.831
57 HA3 GLY 9 HA3 GLY 9 4.484 1.960 -0.799
58 H GLY 10 H GLY 10 4.892 2.809 2.133
59 HA2 GLY 10 HA2 GLY 10 3.492 5.324 2.038
60 HA3 GLY 10 HA3 GLY 10 4.370 4.624 3.379
61 H ILE 11 H ILE 11 5.623 6.601 3.496
62 HA ILE 11 HA ILE 11 7.448 7.511 1.574
63 HB ILE 11 HB ILE 11 7.824 7.422 4.588
64 HG12 ILE 11 HG12 ILE 11 6.663 9.643 2.893
65 HG13 ILE 11 HG13 ILE 11 5.712 8.502 3.839
66 HG21 ILE 11 HG21 ILE 11 9.907 7.913 3.422
67 HG22 ILE 11 HG22 ILE 11 9.322 9.355 4.255
68 HG23 ILE 11 HG23 ILE 11 9.116 9.200 2.511
69 HD11 ILE 11 HD11 ILE 11 7.722 10.441 4.946
70 HD12 ILE 11 HD12 ILE 11 6.714 9.338 5.883
71 HD13 ILE 11 HD13 ILE 11 5.973 10.652 4.968
72 H GLY 12 H GLY 12 9.236 6.589 0.727
73 HA2 GLY 12 HA2 GLY 12 11.344 5.468 1.051
74 HA3 GLY 12 HA3 GLY 12 10.555 4.481 2.279
75 H TYR 13 H TYR 13 8.189 4.262 0.443
76 HA TYR 13 HA TYR 13 9.232 1.910 -0.901
77 HB2 TYR 13 HB2 TYR 13 7.072 2.048 0.509
78 HB3 TYR 13 HB3 TYR 13 6.389 2.877 -0.871
79 HD1 TYR 13 HD1 TYR 13 6.999 -0.266 0.652
80 HD2 TYR 13 HD2 TYR 13 6.390 1.557 -3.133
81 HE1 TYR 13 HE1 TYR 13 6.320 -2.435 -0.263
82 HE2 TYR 13 HE2 TYR 13 5.706 -0.614 -4.065
83 HH TYR 13 HH TYR 13 4.772 -3.151 -2.280
84 H SER 14 H SER 14 9.538 1.840 -3.051
85 HA SER 14 HA SER 14 8.414 3.936 -4.718
86 HB2 SER 14 HB2 SER 14 10.732 4.074 -5.819
87 HB3 SER 14 HB3 SER 14 10.531 4.853 -4.251
88 HG SER 14 HG SER 14 11.418 2.921 -3.308
89 H GLY 15 H GLY 15 8.271 0.888 -4.207
90 HA2 GLY 15 HA2 GLY 15 8.840 -0.130 -6.874
91 HA3 GLY 15 HA3 GLY 15 8.312 -1.057 -5.472
92 HA PRO 16 HA PRO 16 4.374 -0.939 -7.800
93 HB2 PRO 16 HB2 PRO 16 3.621 -2.859 -5.694
94 HB3 PRO 16 HB3 PRO 16 3.555 -3.051 -7.448
95 HG2 PRO 16 HG2 PRO 16 5.363 -4.359 -5.995
96 HG3 PRO 16 HG3 PRO 16 5.752 -3.698 -7.594
97 HD2 PRO 16 HD2 PRO 16 6.412 -2.603 -4.881
98 HD3 PRO 16 HD3 PRO 16 7.438 -2.729 -6.330
99 H THR 17 H THR 17 4.139 1.224 -6.943
100 HA THR 17 HA THR 17 2.856 1.556 -4.400
101 HB THR 17 HB THR 17 2.844 3.989 -5.331
102 HG1 THR 17 HG1 THR 17 4.954 3.627 -6.883
103 HG21 THR 17 HG21 THR 17 5.211 4.254 -4.715
104 HG22 THR 17 HG22 THR 17 5.442 2.513 -4.858
105 HG23 THR 17 HG23 THR 17 4.394 3.163 -3.593
106 H VAL 18 H VAL 18 1.838 0.469 -7.204
107 HA VAL 18 HA VAL 18 -0.752 1.823 -7.200
108 HB VAL 18 HB VAL 18 0.446 -0.001 -9.311
109 HG11 VAL 18 HG11 VAL 18 -1.988 -0.018 -9.322
110 HG12 VAL 18 HG12 VAL 18 -1.372 0.809 -10.750
111 HG13 VAL 18 HG13 VAL 18 -2.016 1.745 -9.398
112 HG21 VAL 18 HG21 VAL 18 0.227 3.010 -9.314
113 HG22 VAL 18 HG22 VAL 18 0.765 2.023 -10.672
114 HG23 VAL 18 HG23 VAL 18 1.717 2.072 -9.187
115 H CYS 19 H CYS 19 -2.400 0.692 -6.372
116 HA CYS 19 HA CYS 19 -2.008 -2.065 -5.603
117 HB2 CYS 19 HB2 CYS 19 -4.336 -0.177 -5.178
118 HB3 CYS 19 HB3 CYS 19 -4.194 -1.793 -4.494
119 H ALA 20 H ALA 20 -3.406 -3.711 -6.236
120 HA ALA 20 HA ALA 20 -4.071 -3.850 -8.930
121 HB1 ALA 20 HB1 ALA 20 -5.192 -5.508 -6.674
122 HB2 ALA 20 HB2 ALA 20 -3.663 -5.805 -7.505
123 HB3 ALA 20 HB3 ALA 20 -5.184 -5.932 -8.386
124 H SER 21 H SER 21 -6.121 -4.063 -9.962
125 HA SER 21 HA SER 21 -7.778 -1.922 -9.813
126 HB2 SER 21 HB2 SER 21 -8.546 -4.676 -10.754
127 HB3 SER 21 HB3 SER 21 -9.165 -3.135 -11.339
128 HG SER 21 HG SER 21 -6.984 -2.663 -11.996
129 H GLY 22 H GLY 22 -9.094 -1.306 -8.172
130 HA2 GLY 22 HA2 GLY 22 -11.254 -1.604 -7.210
131 HA3 GLY 22 HA3 GLY 22 -10.945 -3.328 -7.148
132 H THR 23 H THR 23 -8.147 -1.980 -6.127
133 HA THR 23 HA THR 23 -9.129 -1.925 -3.362
134 HB THR 23 HB THR 23 -6.929 -2.818 -2.615
135 HG1 THR 23 HG1 THR 23 -6.415 -2.843 -5.419
136 HG21 THR 23 HG21 THR 23 -8.301 -4.540 -4.685
137 HG22 THR 23 HG22 THR 23 -8.767 -4.374 -2.991
138 HG23 THR 23 HG23 THR 23 -7.229 -5.117 -3.409
139 H THR 24 H THR 24 -8.213 -0.407 -1.920
140 HA THR 24 HA THR 24 -7.031 1.841 -3.372
141 HB THR 24 HB THR 24 -7.854 3.225 -1.443
142 HG1 THR 24 HG1 THR 24 -8.871 0.716 -0.649
143 HG21 THR 24 HG21 THR 24 -10.182 3.280 -2.241
144 HG22 THR 24 HG22 THR 24 -9.908 1.745 -3.075
145 HG23 THR 24 HG23 THR 24 -9.018 3.188 -3.568
146 H CYS 25 H CYS 25 -5.182 2.750 -2.726
147 HA CYS 25 HA CYS 25 -3.616 1.393 -0.761
148 HB2 CYS 25 HB2 CYS 25 -2.498 2.286 -2.747
149 HB3 CYS 25 HB3 CYS 25 -3.042 3.913 -2.345
150 H GLN 26 H GLN 26 -3.931 1.761 1.269
151 HA GLN 26 HA GLN 26 -4.744 4.446 2.083
152 HB2 GLN 26 HB2 GLN 26 -5.236 1.778 3.401
153 HB3 GLN 26 HB3 GLN 26 -5.712 3.333 4.069
154 HG2 GLN 26 HG2 GLN 26 -7.201 3.724 2.201
155 HG3 GLN 26 HG3 GLN 26 -6.680 2.225 1.439
156 HE21 GLN 26 HE21 GLN 26 -8.780 1.439 1.411
157 HE22 GLN 26 HE22 GLN 26 -9.564 0.876 2.838
158 H VAL 27 H VAL 27 -3.123 5.519 2.899
159 HA VAL 27 HA VAL 27 -0.798 4.192 3.894
160 HB VAL 27 HB VAL 27 -1.452 7.174 3.985
161 HG11 VAL 27 HG11 VAL 27 1.136 5.743 4.263
162 HG12 VAL 27 HG12 VAL 27 0.272 6.644 5.513
163 HG13 VAL 27 HG13 VAL 27 0.944 7.493 4.118
164 HG21 VAL 27 HG21 VAL 27 0.071 5.643 1.885
165 HG22 VAL 27 HG22 VAL 27 -0.113 7.395 1.958
166 HG23 VAL 27 HG23 VAL 27 -1.522 6.372 1.677
167 H LEU 28 H LEU 28 -1.080 3.165 5.712
168 HA LEU 28 HA LEU 28 -2.946 4.010 7.757
169 HB2 LEU 28 HB2 LEU 28 -0.903 1.785 7.844
170 HB3 LEU 28 HB3 LEU 28 -2.271 1.979 8.911
171 HG LEU 28 HG LEU 28 -2.398 1.297 5.972
172 HD11 LEU 28 HD11 LEU 28 -3.228 -0.858 6.749
173 HD12 LEU 28 HD12 LEU 28 -3.000 -0.344 8.419
174 HD13 LEU 28 HD13 LEU 28 -1.606 -0.529 7.357
175 HD21 LEU 28 HD21 LEU 28 -4.588 1.574 8.008
176 HD22 LEU 28 HD22 LEU 28 -4.778 0.963 6.358
177 HD23 LEU 28 HD23 LEU 28 -4.300 2.646 6.630
178 H ASN 29 H ASN 29 0.468 3.412 7.473
179 HA ASN 29 HA ASN 29 1.023 5.289 9.658
180 HB2 ASN 29 HB2 ASN 29 2.714 2.941 8.699
181 HB3 ASN 29 HB3 ASN 29 3.062 4.013 10.044
182 HD21 ASN 29 HD21 ASN 29 2.843 1.123 9.950
183 HD22 ASN 29 HD22 ASN 29 1.646 0.684 11.095
184 HA PRO 30 HA PRO 30 2.913 7.697 6.527
185 HB2 PRO 30 HB2 PRO 30 5.546 7.642 7.794
186 HB3 PRO 30 HB3 PRO 30 4.542 9.036 7.395
187 HG2 PRO 30 HG2 PRO 30 4.780 8.274 9.955
188 HG3 PRO 30 HG3 PRO 30 3.221 8.827 9.314
189 HD2 PRO 30 HD2 PRO 30 4.181 6.048 9.847
190 HD3 PRO 30 HD3 PRO 30 2.588 6.758 10.154
191 H TYR 31 H TYR 31 4.848 4.920 7.503
192 HA TYR 31 HA TYR 31 6.072 4.892 4.834
193 HB2 TYR 31 HB2 TYR 31 6.947 3.317 7.283
194 HB3 TYR 31 HB3 TYR 31 7.790 3.466 5.755
195 HD1 TYR 31 HD1 TYR 31 6.719 5.434 8.743
196 HD2 TYR 31 HD2 TYR 31 9.308 5.236 5.372
197 HE1 TYR 31 HE1 TYR 31 7.972 7.334 9.606
198 HE2 TYR 31 HE2 TYR 31 10.554 7.159 6.228
199 HH TYR 31 HH TYR 31 10.168 8.305 9.414
200 H TYR 32 H TYR 32 3.895 3.208 6.941
201 HA TYR 32 HA TYR 32 3.844 0.945 5.086
202 HB2 TYR 32 HB2 TYR 32 4.121 0.362 7.485
203 HB3 TYR 32 HB3 TYR 32 2.562 1.110 7.823
204 HD1 TYR 32 HD1 TYR 32 0.482 -0.095 7.406
205 HD2 TYR 32 HD2 TYR 32 4.219 -1.682 6.077
206 HE1 TYR 32 HE1 TYR 32 -0.595 -2.241 6.901
207 HE2 TYR 32 HE2 TYR 32 3.127 -3.820 5.573
208 HH TYR 32 HH TYR 32 -0.285 -4.203 5.553
209 H SER 33 H SER 33 2.445 1.118 3.548
210 HA SER 33 HA SER 33 -0.227 2.171 4.128
211 HB2 SER 33 HB2 SER 33 1.307 2.323 1.526
212 HB3 SER 33 HB3 SER 33 -0.258 3.072 1.875
213 HG SER 33 HG SER 33 1.597 4.460 2.008
214 H GLN 34 H GLN 34 -1.888 0.883 3.191
215 HA GLN 34 HA GLN 34 -0.895 -1.615 2.025
216 HB2 GLN 34 HB2 GLN 34 -1.345 -1.810 4.494
217 HB3 GLN 34 HB3 GLN 34 -3.028 -1.443 4.152
218 HG2 GLN 34 HG2 GLN 34 -3.302 -3.458 2.931
219 HG3 GLN 34 HG3 GLN 34 -1.573 -3.794 2.986
220 HE21 GLN 34 HE21 GLN 34 -1.773 -5.744 4.046
221 HE22 GLN 34 HE22 GLN 34 -2.280 -5.857 5.681
222 H CYS 35 H CYS 35 -2.302 -2.635 0.625
223 HA CYS 35 HA CYS 35 -4.262 -0.882 -0.603
224 HB2 CYS 35 HB2 CYS 35 -3.304 -3.635 -1.428
225 HB3 CYS 35 HB3 CYS 35 -4.333 -2.577 -2.384
226 H LEU 36 H LEU 36 -6.193 -0.889 0.323
227 HA LEU 36 HA LEU 36 -7.351 -3.461 1.074
228 HB2 LEU 36 HB2 LEU 36 -7.964 -0.748 2.267
229 HB3 LEU 36 HB3 LEU 36 -8.869 -2.199 2.603
230 HG LEU 36 HG LEU 36 -7.527 -1.923 4.464
231 HD11 LEU 36 HD11 LEU 36 -5.936 -3.736 4.522
232 HD12 LEU 36 HD12 LEU 36 -6.032 -3.870 2.772
233 HD13 LEU 36 HD13 LEU 36 -7.461 -4.183 3.758
234 HD21 LEU 36 HD21 LEU 36 -5.166 -1.344 2.695
235 HD22 LEU 36 HD22 LEU 36 -5.142 -1.442 4.460
236 HD23 LEU 36 HD23 LEU 36 -6.070 -0.176 3.660
Start of MODEL 5
1 H1 THR 1 H1 THR 1 3.082 -4.801 -9.378
2 H2 THR 1 H2 THR 1 2.287 -4.419 -10.847
3 H3 THR 1 H3 THR 1 1.771 -5.727 -9.899
4 HA THR 1 HA THR 1 1.627 -2.929 -9.050
5 HB THR 1 HB THR 1 -0.613 -4.786 -9.843
6 HG1 THR 1 HG1 THR 1 -0.470 -3.981 -11.901
7 HG21 THR 1 HG21 THR 1 -1.770 -2.628 -10.240
8 HG22 THR 1 HG22 THR 1 -0.282 -1.789 -9.767
9 HG23 THR 1 HG23 THR 1 -1.159 -2.749 -8.586
10 H GLN 2 H GLN 2 0.447 -2.837 -6.927
11 HA GLN 2 HA GLN 2 1.285 -5.119 -5.420
12 HB2 GLN 2 HB2 GLN 2 1.636 -2.788 -4.579
13 HB3 GLN 2 HB3 GLN 2 -0.110 -2.664 -4.351
14 HG2 GLN 2 HG2 GLN 2 0.924 -3.290 -2.269
15 HG3 GLN 2 HG3 GLN 2 -0.050 -4.626 -2.889
16 HE21 GLN 2 HE21 GLN 2 0.973 -6.390 -2.163
17 HE22 GLN 2 HE22 GLN 2 2.631 -6.734 -2.443
18 H SER 3 H SER 3 0.094 -6.603 -4.418
19 HA SER 3 HA SER 3 -2.539 -7.025 -5.372
20 HB2 SER 3 HB2 SER 3 -2.073 -9.129 -3.910
21 HB3 SER 3 HB3 SER 3 -1.175 -8.900 -5.413
22 HG SER 3 HG SER 3 -0.242 -9.122 -2.951
23 H HIS 4 H HIS 4 -4.124 -7.964 -3.682
24 HA HIS 4 HA HIS 4 -4.916 -5.858 -1.959
25 HB2 HIS 4 HB2 HIS 4 -6.422 -7.548 -3.150
26 HB3 HIS 4 HB3 HIS 4 -5.948 -8.712 -1.930
27 HD1 HIS 4 HD1 HIS 4 -8.726 -8.601 -1.709
28 HD2 HIS 4 HD2 HIS 4 -6.576 -5.371 -0.228
29 HE1 HIS 4 HE1 HIS 4 -10.309 -7.365 -0.231
30 HE2 HIS 4 HE2 HIS 4 -9.101 -5.212 0.171
31 H TYR 5 H TYR 5 -4.517 -5.508 0.132
32 HA TYR 5 HA TYR 5 -3.836 -5.662 2.197
33 HB2 TYR 5 HB2 TYR 5 -3.856 -8.649 1.768
34 HB3 TYR 5 HB3 TYR 5 -3.372 -7.920 3.296
35 HD1 TYR 5 HD1 TYR 5 -6.115 -9.104 1.357
36 HD2 TYR 5 HD2 TYR 5 -5.074 -6.331 4.401
37 HE1 TYR 5 HE1 TYR 5 -8.468 -8.965 2.029
38 HE2 TYR 5 HE2 TYR 5 -7.424 -6.192 5.083
39 HH TYR 5 HH TYR 5 -9.713 -8.378 4.180
40 H GLY 6 H GLY 6 -2.005 -5.872 -0.279
41 HA2 GLY 6 HA2 GLY 6 0.453 -6.378 1.193
42 HA3 GLY 6 HA3 GLY 6 0.314 -6.066 -0.535
43 H GLN 7 H GLN 7 2.190 -4.734 0.853
44 HA GLN 7 HA GLN 7 1.154 -2.149 1.647
45 HB2 GLN 7 HB2 GLN 7 3.033 -3.099 2.895
46 HB3 GLN 7 HB3 GLN 7 4.002 -3.167 1.427
47 HG2 GLN 7 HG2 GLN 7 3.927 -0.716 1.296
48 HG3 GLN 7 HG3 GLN 7 2.977 -0.676 2.777
49 HE21 GLN 7 HE21 GLN 7 5.535 0.490 2.204
50 HE22 GLN 7 HE22 GLN 7 6.652 -0.151 3.345
51 H CYS 8 H CYS 8 0.652 -0.735 0.148
52 HA CYS 8 HA CYS 8 1.624 -0.861 -2.536
53 HB2 CYS 8 HB2 CYS 8 0.591 1.524 -2.499
54 HB3 CYS 8 HB3 CYS 8 -0.507 0.102 -2.508
55 H GLY 9 H GLY 9 2.044 1.530 0.037
56 HA2 GLY 9 HA2 GLY 9 4.709 1.776 -0.194
57 HA3 GLY 9 HA3 GLY 9 4.100 2.724 -1.533
58 H GLY 10 H GLY 10 4.868 2.638 1.689
59 HA2 GLY 10 HA2 GLY 10 3.567 5.164 2.166
60 HA3 GLY 10 HA3 GLY 10 4.439 4.187 3.346
61 H ILE 11 H ILE 11 5.782 6.122 3.805
62 HA ILE 11 HA ILE 11 7.527 7.211 1.858
63 HB ILE 11 HB ILE 11 7.909 7.109 4.869
64 HG12 ILE 11 HG12 ILE 11 6.726 9.301 3.150
65 HG13 ILE 11 HG13 ILE 11 5.791 8.181 4.132
66 HG21 ILE 11 HG21 ILE 11 9.387 9.051 4.554
67 HG22 ILE 11 HG22 ILE 11 9.202 8.906 2.804
68 HG23 ILE 11 HG23 ILE 11 9.998 7.624 3.716
69 HD11 ILE 11 HD11 ILE 11 6.036 10.346 5.212
70 HD12 ILE 11 HD12 ILE 11 7.793 10.179 5.158
71 HD13 ILE 11 HD13 ILE 11 6.833 9.077 6.142
72 H GLY 12 H GLY 12 9.117 6.215 0.801
73 HA2 GLY 12 HA2 GLY 12 11.367 5.313 1.025
74 HA3 GLY 12 HA3 GLY 12 10.742 4.255 2.280
75 H TYR 13 H TYR 13 8.305 4.107 0.345
76 HA TYR 13 HA TYR 13 9.323 1.671 -0.937
77 HB2 TYR 13 HB2 TYR 13 7.181 1.778 0.475
78 HB3 TYR 13 HB3 TYR 13 6.484 2.687 -0.853
79 HD1 TYR 13 HD1 TYR 13 6.612 -0.431 0.598
80 HD2 TYR 13 HD2 TYR 13 6.855 1.354 -3.245
81 HE1 TYR 13 HE1 TYR 13 5.889 -2.543 -0.421
82 HE2 TYR 13 HE2 TYR 13 6.127 -0.753 -4.274
83 HH TYR 13 HH TYR 13 4.640 -3.122 -2.721
84 H SER 14 H SER 14 9.805 1.676 -3.084
85 HA SER 14 HA SER 14 8.848 3.939 -4.686
86 HB2 SER 14 HB2 SER 14 11.039 3.585 -5.927
87 HB3 SER 14 HB3 SER 14 11.147 4.250 -4.294
88 HG SER 14 HG SER 14 12.184 1.955 -5.265
89 H GLY 15 H GLY 15 8.583 0.630 -4.371
90 HA2 GLY 15 HA2 GLY 15 8.701 -0.073 -7.182
91 HA3 GLY 15 HA3 GLY 15 8.290 -1.138 -5.850
92 HA PRO 16 HA PRO 16 4.180 -0.879 -7.886
93 HB2 PRO 16 HB2 PRO 16 3.644 -2.883 -5.777
94 HB3 PRO 16 HB3 PRO 16 3.338 -2.984 -7.512
95 HG2 PRO 16 HG2 PRO 16 5.308 -4.376 -6.434
96 HG3 PRO 16 HG3 PRO 16 5.526 -3.557 -7.993
97 HD2 PRO 16 HD2 PRO 16 6.458 -2.715 -5.271
98 HD3 PRO 16 HD3 PRO 16 7.337 -2.703 -6.817
99 H THR 17 H THR 17 4.148 1.232 -6.882
100 HA THR 17 HA THR 17 2.938 1.489 -4.303
101 HB THR 17 HB THR 17 2.959 3.964 -5.090
102 HG1 THR 17 HG1 THR 17 5.003 3.322 -6.833
103 HG21 THR 17 HG21 THR 17 5.352 4.143 -4.551
104 HG22 THR 17 HG22 THR 17 5.537 2.410 -4.843
105 HG23 THR 17 HG23 THR 17 4.553 2.973 -3.493
106 H VAL 18 H VAL 18 1.864 0.780 -7.286
107 HA VAL 18 HA VAL 18 -0.745 2.065 -7.003
108 HB VAL 18 HB VAL 18 0.318 0.363 -9.276
109 HG11 VAL 18 HG11 VAL 18 -1.514 1.383 -10.582
110 HG12 VAL 18 HG12 VAL 18 -2.071 2.206 -9.126
111 HG13 VAL 18 HG13 VAL 18 -2.105 0.445 -9.210
112 HG21 VAL 18 HG21 VAL 18 0.670 2.463 -10.520
113 HG22 VAL 18 HG22 VAL 18 1.685 2.370 -9.080
114 HG23 VAL 18 HG23 VAL 18 0.239 3.378 -9.076
115 H CYS 19 H CYS 19 -2.434 0.850 -6.350
116 HA CYS 19 HA CYS 19 -1.966 -1.936 -5.698
117 HB2 CYS 19 HB2 CYS 19 -4.290 -0.114 -5.066
118 HB3 CYS 19 HB3 CYS 19 -4.078 -1.755 -4.467
119 H ALA 20 H ALA 20 -3.210 -3.579 -6.452
120 HA ALA 20 HA ALA 20 -4.075 -3.602 -9.072
121 HB1 ALA 20 HB1 ALA 20 -4.931 -5.414 -6.812
122 HB2 ALA 20 HB2 ALA 20 -3.472 -5.599 -7.783
123 HB3 ALA 20 HB3 ALA 20 -5.058 -5.773 -8.535
124 H SER 21 H SER 21 -6.183 -3.804 -9.976
125 HA SER 21 HA SER 21 -7.963 -1.818 -9.440
126 HB2 SER 21 HB2 SER 21 -8.631 -4.483 -10.675
127 HB3 SER 21 HB3 SER 21 -9.375 -2.919 -11.025
128 HG SER 21 HG SER 21 -7.470 -2.220 -11.932
129 H GLY 22 H GLY 22 -9.482 -1.494 -7.930
130 HA2 GLY 22 HA2 GLY 22 -11.407 -2.159 -6.758
131 HA3 GLY 22 HA3 GLY 22 -10.782 -3.801 -6.705
132 H THR 23 H THR 23 -8.093 -2.378 -5.952
133 HA THR 23 HA THR 23 -8.831 -2.234 -3.116
134 HB THR 23 HB THR 23 -6.547 -2.977 -2.551
135 HG1 THR 23 HG1 THR 23 -6.188 -2.886 -5.378
136 HG21 THR 23 HG21 THR 23 -6.687 -5.274 -3.400
137 HG22 THR 23 HG22 THR 23 -7.889 -4.761 -4.584
138 HG23 THR 23 HG23 THR 23 -8.254 -4.682 -2.860
139 H THR 24 H THR 24 -8.045 -0.573 -1.852
140 HA THR 24 HA THR 24 -6.936 1.637 -3.423
141 HB THR 24 HB THR 24 -7.879 3.081 -1.530
142 HG1 THR 24 HG1 THR 24 -8.811 0.556 -0.775
143 HG21 THR 24 HG21 THR 24 -8.838 2.975 -3.770
144 HG22 THR 24 HG22 THR 24 -10.103 3.115 -2.554
145 HG23 THR 24 HG23 THR 24 -9.774 1.551 -3.316
146 H CYS 25 H CYS 25 -5.067 2.563 -2.875
147 HA CYS 25 HA CYS 25 -3.504 1.366 -0.815
148 HB2 CYS 25 HB2 CYS 25 -2.393 2.173 -2.851
149 HB3 CYS 25 HB3 CYS 25 -2.946 3.815 -2.518
150 H GLN 26 H GLN 26 -4.011 1.781 1.179
151 HA GLN 26 HA GLN 26 -4.743 4.518 1.885
152 HB2 GLN 26 HB2 GLN 26 -5.317 1.915 3.302
153 HB3 GLN 26 HB3 GLN 26 -5.788 3.505 3.890
154 HG2 GLN 26 HG2 GLN 26 -7.220 3.843 1.979
155 HG3 GLN 26 HG3 GLN 26 -6.694 2.319 1.274
156 HE21 GLN 26 HE21 GLN 26 -8.808 1.570 1.189
157 HE22 GLN 26 HE22 GLN 26 -9.624 1.031 2.626
158 H VAL 27 H VAL 27 -3.143 5.589 2.708
159 HA VAL 27 HA VAL 27 -0.849 4.263 3.799
160 HB VAL 27 HB VAL 27 -1.431 7.266 3.748
161 HG11 VAL 27 HG11 VAL 27 0.264 6.618 5.316
162 HG12 VAL 27 HG12 VAL 27 0.880 7.612 3.996
163 HG13 VAL 27 HG13 VAL 27 1.186 5.869 4.009
164 HG21 VAL 27 HG21 VAL 27 0.055 5.604 1.719
165 HG22 VAL 27 HG22 VAL 27 -0.078 7.363 1.721
166 HG23 VAL 27 HG23 VAL 27 -1.515 6.370 1.476
167 H LEU 28 H LEU 28 -1.315 3.284 5.605
168 HA LEU 28 HA LEU 28 -3.168 4.252 7.580
169 HB2 LEU 28 HB2 LEU 28 -1.180 1.987 7.777
170 HB3 LEU 28 HB3 LEU 28 -2.556 2.250 8.823
171 HG LEU 28 HG LEU 28 -2.670 1.485 5.902
172 HD11 LEU 28 HD11 LEU 28 -3.586 -0.617 6.730
173 HD12 LEU 28 HD12 LEU 28 -3.333 -0.071 8.390
174 HD13 LEU 28 HD13 LEU 28 -1.953 -0.337 7.328
175 HD21 LEU 28 HD21 LEU 28 -4.865 1.885 7.907
176 HD22 LEU 28 HD22 LEU 28 -5.063 1.226 6.279
177 HD23 LEU 28 HD23 LEU 28 -4.543 2.904 6.497
178 H ASN 29 H ASN 29 0.257 3.662 7.418
179 HA ASN 29 HA ASN 29 0.726 5.562 9.607
180 HB2 ASN 29 HB2 ASN 29 2.314 3.071 8.859
181 HB3 ASN 29 HB3 ASN 29 2.738 4.203 10.132
182 HD21 ASN 29 HD21 ASN 29 2.289 1.351 10.266
183 HD22 ASN 29 HD22 ASN 29 1.015 1.111 11.396
184 HA PRO 30 HA PRO 30 3.004 7.757 6.585
185 HB2 PRO 30 HB2 PRO 30 5.612 7.519 7.896
186 HB3 PRO 30 HB3 PRO 30 4.693 8.974 7.509
187 HG2 PRO 30 HG2 PRO 30 4.899 8.146 10.053
188 HG3 PRO 30 HG3 PRO 30 3.395 8.850 9.435
189 HD2 PRO 30 HD2 PRO 30 4.099 5.984 9.898
190 HD3 PRO 30 HD3 PRO 30 2.574 6.814 10.241
191 H TYR 31 H TYR 31 4.722 4.874 7.693
192 HA TYR 31 HA TYR 31 6.020 4.702 5.071
193 HB2 TYR 31 HB2 TYR 31 6.711 3.084 7.541
194 HB3 TYR 31 HB3 TYR 31 7.667 3.307 6.087
195 HD1 TYR 31 HD1 TYR 31 6.593 4.871 9.236
196 HD2 TYR 31 HD2 TYR 31 8.903 5.358 5.701
197 HE1 TYR 31 HE1 TYR 31 7.683 6.800 10.234
198 HE2 TYR 31 HE2 TYR 31 10.006 7.318 6.707
199 HH TYR 31 HH TYR 31 9.371 9.018 8.486
200 H TYR 32 H TYR 32 3.669 3.198 7.140
201 HA TYR 32 HA TYR 32 3.586 0.897 5.346
202 HB2 TYR 32 HB2 TYR 32 3.675 0.441 7.818
203 HB3 TYR 32 HB3 TYR 32 2.105 1.225 7.963
204 HD1 TYR 32 HD1 TYR 32 0.095 -0.034 7.626
205 HD2 TYR 32 HD2 TYR 32 3.840 -1.579 6.283
206 HE1 TYR 32 HE1 TYR 32 -0.972 -2.190 7.093
207 HE2 TYR 32 HE2 TYR 32 2.775 -3.715 5.752
208 HH TYR 32 HH TYR 32 -0.637 -4.127 5.735
209 H SER 33 H SER 33 2.316 1.095 3.734
210 HA SER 33 HA SER 33 -0.339 2.279 4.069
211 HB2 SER 33 HB2 SER 33 1.382 2.306 1.577
212 HB3 SER 33 HB3 SER 33 -0.156 3.138 1.814
213 HG SER 33 HG SER 33 1.657 4.503 2.024
214 H GLN 34 H GLN 34 -1.936 0.929 3.176
215 HA GLN 34 HA GLN 34 -0.887 -1.553 2.027
216 HB2 GLN 34 HB2 GLN 34 -1.383 -1.793 4.448
217 HB3 GLN 34 HB3 GLN 34 -3.049 -1.362 4.123
218 HG2 GLN 34 HG2 GLN 34 -3.344 -3.350 2.800
219 HG3 GLN 34 HG3 GLN 34 -1.637 -3.765 2.986
220 HE21 GLN 34 HE21 GLN 34 -1.986 -5.699 4.032
221 HE22 GLN 34 HE22 GLN 34 -2.680 -5.788 5.604
222 H CYS 35 H CYS 35 -2.269 -2.605 0.612
223 HA CYS 35 HA CYS 35 -4.215 -0.873 -0.669
224 HB2 CYS 35 HB2 CYS 35 -3.223 -3.627 -1.427
225 HB3 CYS 35 HB3 CYS 35 -4.235 -2.594 -2.425
226 H LEU 36 H LEU 36 -6.100 -0.899 0.341
227 HA LEU 36 HA LEU 36 -7.194 -3.482 1.143
228 HB2 LEU 36 HB2 LEU 36 -7.990 -0.720 2.086
229 HB3 LEU 36 HB3 LEU 36 -8.798 -2.202 2.530
230 HG LEU 36 HG LEU 36 -7.537 -1.681 4.381
231 HD11 LEU 36 HD11 LEU 36 -5.809 -3.340 4.623
232 HD12 LEU 36 HD12 LEU 36 -5.852 -3.622 2.885
233 HD13 LEU 36 HD13 LEU 36 -7.272 -3.971 3.870
234 HD21 LEU 36 HD21 LEU 36 -5.183 -1.044 2.626
235 HD22 LEU 36 HD22 LEU 36 -5.188 -1.022 4.393
236 HD23 LEU 36 HD23 LEU 36 -6.209 0.101 3.491
Start of MODEL 6
1 H1 THR 1 H1 THR 1 2.198 -5.484 -9.895
2 H2 THR 1 H2 THR 1 3.312 -4.390 -9.252
3 H3 THR 1 H3 THR 1 2.508 -4.055 -10.719
4 HA THR 1 HA THR 1 1.577 -2.790 -8.900
5 HB THR 1 HB THR 1 -0.325 -4.859 -9.982
6 HG1 THR 1 HG1 THR 1 -0.161 -3.750 -11.964
7 HG21 THR 1 HG21 THR 1 -1.739 -2.836 -10.290
8 HG22 THR 1 HG22 THR 1 -0.404 -1.883 -9.599
9 HG23 THR 1 HG23 THR 1 -1.240 -3.062 -8.605
10 H GLN 2 H GLN 2 0.573 -2.857 -6.809
11 HA GLN 2 HA GLN 2 1.352 -5.182 -5.306
12 HB2 GLN 2 HB2 GLN 2 1.813 -2.841 -4.598
13 HB3 GLN 2 HB3 GLN 2 0.091 -2.619 -4.377
14 HG2 GLN 2 HG2 GLN 2 1.246 -3.022 -2.265
15 HG3 GLN 2 HG3 GLN 2 0.063 -4.275 -2.627
16 HE21 GLN 2 HE21 GLN 2 0.761 -6.390 -2.825
17 HE22 GLN 2 HE22 GLN 2 2.407 -6.836 -2.574
18 H SER 3 H SER 3 0.068 -6.740 -4.617
19 HA SER 3 HA SER 3 -2.611 -6.965 -5.375
20 HB2 SER 3 HB2 SER 3 -2.358 -9.019 -3.883
21 HB3 SER 3 HB3 SER 3 -1.301 -8.889 -5.294
22 HG SER 3 HG SER 3 0.074 -9.345 -3.699
23 H HIS 4 H HIS 4 -4.275 -7.677 -3.781
24 HA HIS 4 HA HIS 4 -4.971 -5.661 -1.965
25 HB2 HIS 4 HB2 HIS 4 -6.498 -7.311 -3.162
26 HB3 HIS 4 HB3 HIS 4 -6.008 -8.506 -1.970
27 HD1 HIS 4 HD1 HIS 4 -8.642 -8.556 -1.414
28 HD2 HIS 4 HD2 HIS 4 -6.679 -5.022 -0.487
29 HE1 HIS 4 HE1 HIS 4 -10.209 -7.290 0.042
30 HE2 HIS 4 HE2 HIS 4 -9.149 -4.993 0.101
31 H TYR 5 H TYR 5 -4.456 -5.356 0.105
32 HA TYR 5 HA TYR 5 -3.717 -5.564 2.136
33 HB2 TYR 5 HB2 TYR 5 -3.867 -8.527 1.639
34 HB3 TYR 5 HB3 TYR 5 -3.206 -7.877 3.133
35 HD1 TYR 5 HD1 TYR 5 -4.656 -6.586 4.668
36 HD2 TYR 5 HD2 TYR 5 -6.237 -8.529 1.232
37 HE1 TYR 5 HE1 TYR 5 -6.899 -6.405 5.616
38 HE2 TYR 5 HE2 TYR 5 -8.500 -8.336 2.170
39 HH TYR 5 HH TYR 5 -9.167 -6.380 4.909
40 H GLY 6 H GLY 6 -1.969 -5.774 -0.429
41 HA2 GLY 6 HA2 GLY 6 0.528 -6.376 0.917
42 HA3 GLY 6 HA3 GLY 6 0.322 -5.947 -0.785
43 H GLN 7 H GLN 7 2.272 -4.743 0.752
44 HA GLN 7 HA GLN 7 1.281 -2.177 1.629
45 HB2 GLN 7 HB2 GLN 7 3.157 -3.258 2.792
46 HB3 GLN 7 HB3 GLN 7 4.089 -3.198 1.291
47 HG2 GLN 7 HG2 GLN 7 4.024 -0.762 1.341
48 HG3 GLN 7 HG3 GLN 7 3.028 -0.803 2.789
49 HE21 GLN 7 HE21 GLN 7 5.513 0.485 2.374
50 HE22 GLN 7 HE22 GLN 7 6.618 -0.147 3.533
51 H CYS 8 H CYS 8 0.622 -0.844 0.068
52 HA CYS 8 HA CYS 8 1.620 -0.834 -2.594
53 HB2 CYS 8 HB2 CYS 8 0.548 1.523 -2.494
54 HB3 CYS 8 HB3 CYS 8 -0.525 0.087 -2.504
55 H GLY 9 H GLY 9 2.088 1.415 0.073
56 HA2 GLY 9 HA2 GLY 9 4.696 1.741 -0.107
57 HA3 GLY 9 HA3 GLY 9 4.147 2.651 -1.506
58 H GLY 10 H GLY 10 5.026 2.823 1.562
59 HA2 GLY 10 HA2 GLY 10 3.560 5.291 2.040
60 HA3 GLY 10 HA3 GLY 10 4.425 4.334 3.235
61 H ILE 11 H ILE 11 5.715 6.317 3.664
62 HA ILE 11 HA ILE 11 7.596 7.206 1.727
63 HB ILE 11 HB ILE 11 7.726 7.379 4.759
64 HG12 ILE 11 HG12 ILE 11 6.750 9.401 2.719
65 HG13 ILE 11 HG13 ILE 11 5.718 8.440 3.770
66 HG21 ILE 11 HG21 ILE 11 9.927 7.711 3.729
67 HG22 ILE 11 HG22 ILE 11 9.310 9.238 4.368
68 HG23 ILE 11 HG23 ILE 11 9.244 8.918 2.638
69 HD11 ILE 11 HD11 ILE 11 6.675 9.549 5.718
70 HD12 ILE 11 HD12 ILE 11 5.963 10.701 4.590
71 HD13 ILE 11 HD13 ILE 11 7.714 10.503 4.660
72 H GLY 12 H GLY 12 9.257 6.085 0.955
73 HA2 GLY 12 HA2 GLY 12 11.388 5.024 1.461
74 HA3 GLY 12 HA3 GLY 12 10.560 4.130 2.731
75 H TYR 13 H TYR 13 8.367 4.140 0.414
76 HA TYR 13 HA TYR 13 9.378 1.656 -0.821
77 HB2 TYR 13 HB2 TYR 13 7.336 1.578 0.740
78 HB3 TYR 13 HB3 TYR 13 6.509 2.522 -0.481
79 HD1 TYR 13 HD1 TYR 13 6.996 -0.694 0.751
80 HD2 TYR 13 HD2 TYR 13 6.616 1.365 -2.946
81 HE1 TYR 13 HE1 TYR 13 6.291 -2.774 -0.332
82 HE2 TYR 13 HE2 TYR 13 5.902 -0.709 -4.032
83 HH TYR 13 HH TYR 13 4.790 -3.281 -2.464
84 H SER 14 H SER 14 9.525 1.709 -3.076
85 HA SER 14 HA SER 14 8.064 3.792 -4.492
86 HB2 SER 14 HB2 SER 14 10.226 4.306 -5.756
87 HB3 SER 14 HB3 SER 14 10.102 4.901 -4.101
88 HG SER 14 HG SER 14 11.819 3.842 -3.711
89 H GLY 15 H GLY 15 8.099 0.752 -4.303
90 HA2 GLY 15 HA2 GLY 15 8.696 -0.005 -7.079
91 HA3 GLY 15 HA3 GLY 15 8.235 -1.070 -5.760
92 HA PRO 16 HA PRO 16 4.173 -1.024 -7.885
93 HB2 PRO 16 HB2 PRO 16 3.596 -2.912 -5.701
94 HB3 PRO 16 HB3 PRO 16 3.447 -3.148 -7.444
95 HG2 PRO 16 HG2 PRO 16 5.364 -4.375 -6.084
96 HG3 PRO 16 HG3 PRO 16 5.678 -3.693 -7.691
97 HD2 PRO 16 HD2 PRO 16 6.355 -2.577 -4.998
98 HD3 PRO 16 HD3 PRO 16 7.357 -2.703 -6.465
99 H THR 17 H THR 17 4.103 1.164 -6.943
100 HA THR 17 HA THR 17 2.872 1.439 -4.385
101 HB THR 17 HB THR 17 2.763 3.883 -5.130
102 HG1 THR 17 HG1 THR 17 4.207 4.294 -6.913
103 HG21 THR 17 HG21 THR 17 5.437 2.470 -5.089
104 HG22 THR 17 HG22 THR 17 4.520 2.968 -3.671
105 HG23 THR 17 HG23 THR 17 5.181 4.186 -4.764
106 H VAL 18 H VAL 18 1.803 0.920 -7.533
107 HA VAL 18 HA VAL 18 -0.847 1.994 -7.045
108 HB VAL 18 HB VAL 18 0.239 0.453 -9.438
109 HG11 VAL 18 HG11 VAL 18 -2.397 1.904 -9.094
110 HG12 VAL 18 HG12 VAL 18 -2.185 0.160 -9.226
111 HG13 VAL 18 HG13 VAL 18 -1.814 1.203 -10.600
112 HG21 VAL 18 HG21 VAL 18 0.221 2.595 -10.604
113 HG22 VAL 18 HG22 VAL 18 1.229 2.710 -9.154
114 HG23 VAL 18 HG23 VAL 18 -0.392 3.391 -9.160
115 H CYS 19 H CYS 19 -2.484 0.795 -6.380
116 HA CYS 19 HA CYS 19 -1.975 -1.942 -5.620
117 HB2 CYS 19 HB2 CYS 19 -4.372 -0.169 -5.211
118 HB3 CYS 19 HB3 CYS 19 -4.159 -1.771 -4.516
119 H ALA 20 H ALA 20 -3.423 -3.640 -6.111
120 HA ALA 20 HA ALA 20 -4.079 -3.979 -8.789
121 HB1 ALA 20 HB1 ALA 20 -5.209 -6.020 -8.064
122 HB2 ALA 20 HB2 ALA 20 -5.176 -5.457 -6.397
123 HB3 ALA 20 HB3 ALA 20 -3.667 -5.829 -7.232
124 H SER 21 H SER 21 -6.209 -4.422 -9.666
125 HA SER 21 HA SER 21 -7.867 -2.197 -9.434
126 HB2 SER 21 HB2 SER 21 -8.393 -4.877 -10.711
127 HB3 SER 21 HB3 SER 21 -9.267 -3.377 -11.042
128 HG SER 21 HG SER 21 -6.568 -3.073 -11.242
129 H GLY 22 H GLY 22 -9.544 -1.797 -8.171
130 HA2 GLY 22 HA2 GLY 22 -11.508 -2.345 -7.010
131 HA3 GLY 22 HA3 GLY 22 -10.954 -4.007 -6.903
132 H THR 23 H THR 23 -8.400 -1.993 -6.115
133 HA THR 23 HA THR 23 -9.164 -1.970 -3.286
134 HB THR 23 HB THR 23 -6.868 -2.588 -2.619
135 HG1 THR 23 HG1 THR 23 -6.442 -2.749 -5.433
136 HG21 THR 23 HG21 THR 23 -8.072 -4.548 -4.560
137 HG22 THR 23 HG22 THR 23 -8.480 -4.383 -2.850
138 HG23 THR 23 HG23 THR 23 -6.875 -4.934 -3.323
139 H THR 24 H THR 24 -7.771 -0.451 -1.992
140 HA THR 24 HA THR 24 -6.826 1.797 -3.632
141 HB THR 24 HB THR 24 -7.744 3.257 -1.758
142 HG1 THR 24 HG1 THR 24 -8.697 0.763 -1.001
143 HG21 THR 24 HG21 THR 24 -8.751 3.197 -3.975
144 HG22 THR 24 HG22 THR 24 -10.003 3.331 -2.737
145 HG23 THR 24 HG23 THR 24 -9.694 1.775 -3.527
146 H CYS 25 H CYS 25 -4.940 2.764 -2.921
147 HA CYS 25 HA CYS 25 -3.521 1.425 -0.843
148 HB2 CYS 25 HB2 CYS 25 -2.258 2.212 -2.793
149 HB3 CYS 25 HB3 CYS 25 -2.763 3.872 -2.476
150 H GLN 26 H GLN 26 -3.847 1.859 1.164
151 HA GLN 26 HA GLN 26 -4.572 4.580 1.880
152 HB2 GLN 26 HB2 GLN 26 -5.455 1.945 3.018
153 HB3 GLN 26 HB3 GLN 26 -5.651 3.451 3.909
154 HG2 GLN 26 HG2 GLN 26 -7.109 4.343 2.285
155 HG3 GLN 26 HG3 GLN 26 -6.684 3.102 1.116
156 HE21 GLN 26 HE21 GLN 26 -7.669 1.195 1.191
157 HE22 GLN 26 HE22 GLN 26 -9.031 0.821 2.167
158 H VAL 27 H VAL 27 -3.054 5.601 2.848
159 HA VAL 27 HA VAL 27 -0.766 4.241 3.894
160 HB VAL 27 HB VAL 27 -1.363 7.242 3.988
161 HG11 VAL 27 HG11 VAL 27 0.357 6.571 5.512
162 HG12 VAL 27 HG12 VAL 27 0.977 7.574 4.199
163 HG13 VAL 27 HG13 VAL 27 1.250 5.830 4.186
164 HG21 VAL 27 HG21 VAL 27 0.131 5.700 1.877
165 HG22 VAL 27 HG22 VAL 27 -0.035 7.455 1.960
166 HG23 VAL 27 HG23 VAL 27 -1.455 6.448 1.680
167 H LEU 28 H LEU 28 -1.131 3.208 5.690
168 HA LEU 28 HA LEU 28 -2.991 4.080 7.721
169 HB2 LEU 28 HB2 LEU 28 -0.998 1.807 7.787
170 HB3 LEU 28 HB3 LEU 28 -2.358 2.019 8.864
171 HG LEU 28 HG LEU 28 -2.532 1.416 5.906
172 HD11 LEU 28 HD11 LEU 28 -3.138 -0.308 8.300
173 HD12 LEU 28 HD12 LEU 28 -1.758 -0.467 7.215
174 HD13 LEU 28 HD13 LEU 28 -3.392 -0.741 6.609
175 HD21 LEU 28 HD21 LEU 28 -4.395 2.776 6.639
176 HD22 LEU 28 HD22 LEU 28 -4.678 1.666 7.986
177 HD23 LEU 28 HD23 LEU 28 -4.914 1.115 6.322
178 H ASN 29 H ASN 29 0.435 3.527 7.457
179 HA ASN 29 HA ASN 29 0.933 5.425 9.645
180 HB2 ASN 29 HB2 ASN 29 2.615 3.006 8.838
181 HB3 ASN 29 HB3 ASN 29 3.031 4.154 10.091
182 HD21 ASN 29 HD21 ASN 29 1.124 1.449 9.251
183 HD22 ASN 29 HD22 ASN 29 0.561 1.076 10.837
184 HA PRO 30 HA PRO 30 2.945 7.744 6.522
185 HB2 PRO 30 HB2 PRO 30 5.572 7.678 7.780
186 HB3 PRO 30 HB3 PRO 30 4.565 9.075 7.409
187 HG2 PRO 30 HG2 PRO 30 4.891 8.242 9.963
188 HG3 PRO 30 HG3 PRO 30 3.365 8.932 9.386
189 HD2 PRO 30 HD2 PRO 30 4.071 6.077 9.922
190 HD3 PRO 30 HD3 PRO 30 2.534 6.919 10.160
191 H TYR 31 H TYR 31 4.711 4.985 7.651
192 HA TYR 31 HA TYR 31 6.138 4.790 5.089
193 HB2 TYR 31 HB2 TYR 31 6.576 3.252 7.643
194 HB3 TYR 31 HB3 TYR 31 7.628 3.284 6.237
195 HD1 TYR 31 HD1 TYR 31 8.968 5.300 5.751
196 HD2 TYR 31 HD2 TYR 31 6.598 5.048 9.271
197 HE1 TYR 31 HE1 TYR 31 10.197 7.183 6.696
198 HE2 TYR 31 HE2 TYR 31 7.837 6.937 10.242
199 HH TYR 31 HH TYR 31 9.829 8.913 8.388
200 H TYR 32 H TYR 32 3.665 3.285 7.036
201 HA TYR 32 HA TYR 32 3.715 0.946 5.277
202 HB2 TYR 32 HB2 TYR 32 3.828 0.460 7.755
203 HB3 TYR 32 HB3 TYR 32 2.262 1.230 7.901
204 HD1 TYR 32 HD1 TYR 32 0.297 -0.075 7.771
205 HD2 TYR 32 HD2 TYR 32 3.921 -1.563 6.072
206 HE1 TYR 32 HE1 TYR 32 -0.790 -2.234 7.309
207 HE2 TYR 32 HE2 TYR 32 2.824 -3.706 5.609
208 HH TYR 32 HH TYR 32 -0.577 -4.112 5.888
209 H SER 33 H SER 33 2.419 1.137 3.658
210 HA SER 33 HA SER 33 -0.264 2.240 4.071
211 HB2 SER 33 HB2 SER 33 1.401 2.325 1.546
212 HB3 SER 33 HB3 SER 33 -0.156 3.107 1.814
213 HG SER 33 HG SER 33 1.715 4.458 1.982
214 H GLN 34 H GLN 34 -1.867 0.924 3.156
215 HA GLN 34 HA GLN 34 -0.827 -1.537 1.960
216 HB2 GLN 34 HB2 GLN 34 -1.250 -1.808 4.402
217 HB3 GLN 34 HB3 GLN 34 -2.933 -1.406 4.117
218 HG2 GLN 34 HG2 GLN 34 -3.226 -3.379 2.786
219 HG3 GLN 34 HG3 GLN 34 -1.508 -3.773 2.921
220 HE21 GLN 34 HE21 GLN 34 -1.786 -5.722 3.952
221 HE22 GLN 34 HE22 GLN 34 -2.441 -5.870 5.529
222 H CYS 35 H CYS 35 -2.221 -2.540 0.535
223 HA CYS 35 HA CYS 35 -4.207 -0.796 -0.653
224 HB2 CYS 35 HB2 CYS 35 -3.249 -3.541 -1.486
225 HB3 CYS 35 HB3 CYS 35 -4.296 -2.483 -2.427
226 H LEU 36 H LEU 36 -6.084 -0.815 0.351
227 HA LEU 36 HA LEU 36 -7.179 -3.409 1.113
228 HB2 LEU 36 HB2 LEU 36 -7.861 -0.702 2.268
229 HB3 LEU 36 HB3 LEU 36 -8.719 -2.179 2.643
230 HG LEU 36 HG LEU 36 -7.387 -1.850 4.479
231 HD11 LEU 36 HD11 LEU 36 -5.783 -3.709 2.793
232 HD12 LEU 36 HD12 LEU 36 -7.185 -4.098 3.780
233 HD13 LEU 36 HD13 LEU 36 -5.691 -3.563 4.546
234 HD21 LEU 36 HD21 LEU 36 -5.070 -1.107 2.710
235 HD22 LEU 36 HD22 LEU 36 -5.024 -1.233 4.471
236 HD23 LEU 36 HD23 LEU 36 -6.040 -0.015 3.703
Start of MODEL 7
1 H1 THR 1 H1 THR 1 2.490 -5.614 -9.932
2 H2 THR 1 H2 THR 1 3.628 -4.520 -9.338
3 H3 THR 1 H3 THR 1 2.791 -4.202 -10.774
4 HA THR 1 HA THR 1 1.918 -2.916 -8.928
5 HB THR 1 HB THR 1 -0.048 -4.934 -10.047
6 HG1 THR 1 HG1 THR 1 0.326 -4.114 -12.020
7 HG21 THR 1 HG21 THR 1 -0.071 -1.964 -9.589
8 HG22 THR 1 HG22 THR 1 -0.940 -3.153 -8.616
9 HG23 THR 1 HG23 THR 1 -1.405 -2.872 -10.306
10 H GLN 2 H GLN 2 0.614 -3.022 -6.894
11 HA GLN 2 HA GLN 2 1.544 -5.266 -5.316
12 HB2 GLN 2 HB2 GLN 2 1.686 -2.838 -4.582
13 HB3 GLN 2 HB3 GLN 2 -0.058 -2.902 -4.363
14 HG2 GLN 2 HG2 GLN 2 1.070 -3.324 -2.258
15 HG3 GLN 2 HG3 GLN 2 0.193 -4.758 -2.797
16 HE21 GLN 2 HE21 GLN 2 1.380 -6.325 -1.911
17 HE22 GLN 2 HE22 GLN 2 3.056 -6.607 -2.159
18 H SER 3 H SER 3 0.334 -6.644 -4.131
19 HA SER 3 HA SER 3 -2.152 -7.419 -5.227
20 HB2 SER 3 HB2 SER 3 -1.747 -9.163 -3.356
21 HB3 SER 3 HB3 SER 3 -0.640 -9.129 -4.738
22 HG SER 3 HG SER 3 0.080 -8.947 -2.247
23 H HIS 4 H HIS 4 -3.993 -7.847 -3.846
24 HA HIS 4 HA HIS 4 -4.841 -5.760 -2.173
25 HB2 HIS 4 HB2 HIS 4 -6.272 -7.487 -3.451
26 HB3 HIS 4 HB3 HIS 4 -5.904 -8.605 -2.153
27 HD1 HIS 4 HD1 HIS 4 -8.746 -8.368 -2.262
28 HD2 HIS 4 HD2 HIS 4 -6.552 -5.322 -0.476
29 HE1 HIS 4 HE1 HIS 4 -10.391 -7.031 -0.932
30 HE2 HIS 4 HE2 HIS 4 -9.064 -4.977 -0.351
31 H TYR 5 H TYR 5 -4.541 -5.432 -0.014
32 HA TYR 5 HA TYR 5 -3.977 -5.646 2.083
33 HB2 TYR 5 HB2 TYR 5 -3.842 -8.632 1.589
34 HB3 TYR 5 HB3 TYR 5 -3.557 -7.891 3.163
35 HD1 TYR 5 HD1 TYR 5 -6.019 -9.189 0.933
36 HD2 TYR 5 HD2 TYR 5 -5.432 -6.420 4.100
37 HE1 TYR 5 HE1 TYR 5 -8.438 -9.165 1.355
38 HE2 TYR 5 HE2 TYR 5 -7.839 -6.395 4.536
39 HH TYR 5 HH TYR 5 -9.924 -8.661 3.277
40 H GLY 6 H GLY 6 -1.995 -5.724 -0.325
41 HA2 GLY 6 HA2 GLY 6 0.389 -6.316 1.251
42 HA3 GLY 6 HA3 GLY 6 0.336 -6.002 -0.482
43 H GLN 7 H GLN 7 2.209 -4.723 0.938
44 HA GLN 7 HA GLN 7 1.290 -2.100 1.732
45 HB2 GLN 7 HB2 GLN 7 3.233 -3.149 2.851
46 HB3 GLN 7 HB3 GLN 7 4.142 -3.102 1.345
47 HG2 GLN 7 HG2 GLN 7 3.912 -0.603 1.404
48 HG3 GLN 7 HG3 GLN 7 3.159 -0.762 2.988
49 HE21 GLN 7 HE21 GLN 7 5.539 0.670 2.320
50 HE22 GLN 7 HE22 GLN 7 6.840 0.013 3.212
51 H CYS 8 H CYS 8 0.600 -0.821 0.167
52 HA CYS 8 HA CYS 8 1.553 -0.885 -2.533
53 HB2 CYS 8 HB2 CYS 8 0.429 1.472 -2.417
54 HB3 CYS 8 HB3 CYS 8 -0.594 0.001 -2.499
55 H GLY 9 H GLY 9 1.946 1.464 0.054
56 HA2 GLY 9 HA2 GLY 9 4.561 1.955 -0.349
57 HA3 GLY 9 HA3 GLY 9 3.760 2.879 -1.609
58 H GLY 10 H GLY 10 4.928 2.897 1.397
59 HA2 GLY 10 HA2 GLY 10 3.407 5.278 2.100
60 HA3 GLY 10 HA3 GLY 10 4.397 4.305 3.189
61 H ILE 11 H ILE 11 5.633 6.324 3.615
62 HA ILE 11 HA ILE 11 7.286 7.431 1.600
63 HB ILE 11 HB ILE 11 7.698 7.379 4.612
64 HG12 ILE 11 HG12 ILE 11 6.507 9.538 2.853
65 HG13 ILE 11 HG13 ILE 11 5.585 8.451 3.885
66 HG21 ILE 11 HG21 ILE 11 9.790 7.861 3.468
67 HG22 ILE 11 HG22 ILE 11 9.185 9.320 4.256
68 HG23 ILE 11 HG23 ILE 11 9.003 9.115 2.512
69 HD11 ILE 11 HD11 ILE 11 6.668 9.403 5.853
70 HD12 ILE 11 HD12 ILE 11 5.851 10.642 4.898
71 HD13 ILE 11 HD13 ILE 11 7.604 10.482 4.817
72 H GLY 12 H GLY 12 8.912 6.529 0.582
73 HA2 GLY 12 HA2 GLY 12 11.173 5.642 0.771
74 HA3 GLY 12 HA3 GLY 12 10.573 4.607 2.062
75 H TYR 13 H TYR 13 8.111 4.227 0.337
76 HA TYR 13 HA TYR 13 9.145 1.802 -0.873
77 HB2 TYR 13 HB2 TYR 13 6.911 2.048 0.362
78 HB3 TYR 13 HB3 TYR 13 6.323 2.869 -1.071
79 HD1 TYR 13 HD1 TYR 13 6.767 1.429 -3.335
80 HD2 TYR 13 HD2 TYR 13 6.444 -0.184 0.573
81 HE1 TYR 13 HE1 TYR 13 6.151 -0.745 -4.291
82 HE2 TYR 13 HE2 TYR 13 5.835 -2.368 -0.372
83 HH TYR 13 HH TYR 13 4.667 -3.050 -2.698
84 H SER 14 H SER 14 9.641 1.571 -3.013
85 HA SER 14 HA SER 14 8.833 3.730 -4.816
86 HB2 SER 14 HB2 SER 14 11.175 3.675 -5.700
87 HB3 SER 14 HB3 SER 14 10.969 4.359 -4.088
88 HG SER 14 HG SER 14 12.084 2.769 -3.252
89 H GLY 15 H GLY 15 8.256 0.700 -4.432
90 HA2 GLY 15 HA2 GLY 15 8.966 -0.172 -7.160
91 HA3 GLY 15 HA3 GLY 15 8.507 -1.226 -5.826
92 HA PRO 16 HA PRO 16 4.509 -1.098 -7.984
93 HB2 PRO 16 HB2 PRO 16 3.832 -3.094 -5.927
94 HB3 PRO 16 HB3 PRO 16 3.758 -3.236 -7.685
95 HG2 PRO 16 HG2 PRO 16 5.614 -4.541 -6.279
96 HG3 PRO 16 HG3 PRO 16 5.978 -3.834 -7.866
97 HD2 PRO 16 HD2 PRO 16 6.624 -2.777 -5.136
98 HD3 PRO 16 HD3 PRO 16 7.636 -2.856 -6.599
99 H THR 17 H THR 17 4.188 1.016 -7.089
100 HA THR 17 HA THR 17 3.070 1.222 -4.450
101 HB THR 17 HB THR 17 2.923 3.693 -5.153
102 HG1 THR 17 HG1 THR 17 4.734 3.868 -6.881
103 HG21 THR 17 HG21 THR 17 4.631 2.754 -3.658
104 HG22 THR 17 HG22 THR 17 5.321 4.003 -4.706
105 HG23 THR 17 HG23 THR 17 5.599 2.293 -5.056
106 H VAL 18 H VAL 18 1.852 0.513 -7.442
107 HA VAL 18 HA VAL 18 -0.700 1.841 -6.978
108 HB VAL 18 HB VAL 18 0.116 0.096 -9.325
109 HG11 VAL 18 HG11 VAL 18 -2.204 1.994 -8.962
110 HG12 VAL 18 HG12 VAL 18 -2.291 0.232 -9.054
111 HG13 VAL 18 HG13 VAL 18 -1.800 1.169 -10.463
112 HG21 VAL 18 HG21 VAL 18 0.447 2.143 -10.600
113 HG22 VAL 18 HG22 VAL 18 1.505 2.129 -9.180
114 HG23 VAL 18 HG23 VAL 18 0.032 3.094 -9.180
115 H CYS 19 H CYS 19 -2.439 0.727 -6.404
116 HA CYS 19 HA CYS 19 -2.042 -1.957 -5.444
117 HB2 CYS 19 HB2 CYS 19 -4.333 -0.025 -5.205
118 HB3 CYS 19 HB3 CYS 19 -4.314 -1.630 -4.488
119 H ALA 20 H ALA 20 -3.641 -3.568 -5.822
120 HA ALA 20 HA ALA 20 -4.197 -4.223 -8.455
121 HB1 ALA 20 HB1 ALA 20 -5.606 -5.115 -5.934
122 HB2 ALA 20 HB2 ALA 20 -4.150 -5.839 -6.608
123 HB3 ALA 20 HB3 ALA 20 -5.677 -5.943 -7.486
124 H SER 21 H SER 21 -6.224 -4.294 -9.579
125 HA SER 21 HA SER 21 -7.610 -1.898 -9.651
126 HB2 SER 21 HB2 SER 21 -8.362 -4.616 -10.698
127 HB3 SER 21 HB3 SER 21 -9.115 -3.106 -11.193
128 HG SER 21 HG SER 21 -6.785 -2.486 -11.662
129 H GLY 22 H GLY 22 -8.950 -1.133 -8.159
130 HA2 GLY 22 HA2 GLY 22 -11.118 -1.139 -7.212
131 HA3 GLY 22 HA3 GLY 22 -11.064 -2.892 -7.169
132 H THR 23 H THR 23 -8.123 -1.743 -6.100
133 HA THR 23 HA THR 23 -9.110 -1.844 -3.343
134 HB THR 23 HB THR 23 -6.912 -2.769 -2.641
135 HG1 THR 23 HG1 THR 23 -6.369 -2.536 -5.414
136 HG21 THR 23 HG21 THR 23 -8.699 -4.338 -3.181
137 HG22 THR 23 HG22 THR 23 -7.135 -5.003 -3.638
138 HG23 THR 23 HG23 THR 23 -8.204 -4.337 -4.873
139 H THR 24 H THR 24 -8.277 -0.380 -1.839
140 HA THR 24 HA THR 24 -7.178 1.973 -3.161
141 HB THR 24 HB THR 24 -8.051 3.232 -1.188
142 HG1 THR 24 HG1 THR 24 -8.961 0.618 -0.484
143 HG21 THR 24 HG21 THR 24 -10.390 3.116 -1.917
144 HG22 THR 24 HG22 THR 24 -10.037 1.594 -2.740
145 HG23 THR 24 HG23 THR 24 -9.273 3.086 -3.285
146 H CYS 25 H CYS 25 -5.225 2.777 -2.619
147 HA CYS 25 HA CYS 25 -3.719 1.369 -0.640
148 HB2 CYS 25 HB2 CYS 25 -2.552 2.196 -2.637
149 HB3 CYS 25 HB3 CYS 25 -2.999 3.849 -2.231
150 H GLN 26 H GLN 26 -4.195 1.709 1.364
151 HA GLN 26 HA GLN 26 -4.873 4.414 2.241
152 HB2 GLN 26 HB2 GLN 26 -5.358 1.730 3.531
153 HB3 GLN 26 HB3 GLN 26 -5.793 3.278 4.246
154 HG2 GLN 26 HG2 GLN 26 -7.353 3.721 2.456
155 HG3 GLN 26 HG3 GLN 26 -6.849 2.264 1.614
156 HE21 GLN 26 HE21 GLN 26 -8.908 1.443 1.594
157 HE22 GLN 26 HE22 GLN 26 -9.681 0.822 3.003
158 H VAL 27 H VAL 27 -3.253 5.470 3.045
159 HA VAL 27 HA VAL 27 -0.903 4.130 3.973
160 HB VAL 27 HB VAL 27 -1.541 7.128 4.072
161 HG11 VAL 27 HG11 VAL 27 1.056 5.704 4.267
162 HG12 VAL 27 HG12 VAL 27 0.232 6.584 5.553
163 HG13 VAL 27 HG13 VAL 27 0.843 7.451 4.138
164 HG21 VAL 27 HG21 VAL 27 -0.088 5.572 1.949
165 HG22 VAL 27 HG22 VAL 27 -0.275 7.322 2.009
166 HG23 VAL 27 HG23 VAL 27 -1.688 6.293 1.785
167 H LEU 28 H LEU 28 -1.078 3.124 5.805
168 HA LEU 28 HA LEU 28 -2.999 3.892 7.843
169 HB2 LEU 28 HB2 LEU 28 -0.964 1.665 7.889
170 HB3 LEU 28 HB3 LEU 28 -2.346 1.835 8.947
171 HG LEU 28 HG LEU 28 -2.451 1.254 5.984
172 HD11 LEU 28 HD11 LEU 28 -3.041 -0.494 8.359
173 HD12 LEU 28 HD12 LEU 28 -1.652 -0.623 7.283
174 HD13 LEU 28 HD13 LEU 28 -3.269 -0.933 6.666
175 HD21 LEU 28 HD21 LEU 28 -4.842 0.902 6.341
176 HD22 LEU 28 HD22 LEU 28 -4.371 2.569 6.693
177 HD23 LEU 28 HD23 LEU 28 -4.668 1.433 8.015
178 H ASN 29 H ASN 29 0.408 3.704 7.363
179 HA ASN 29 HA ASN 29 0.956 5.397 9.684
180 HB2 ASN 29 HB2 ASN 29 2.503 2.957 8.727
181 HB3 ASN 29 HB3 ASN 29 3.057 4.073 9.961
182 HD21 ASN 29 HD21 ASN 29 2.534 1.200 10.042
183 HD22 ASN 29 HD22 ASN 29 1.414 0.980 11.335
184 HA PRO 30 HA PRO 30 2.953 7.738 6.560
185 HB2 PRO 30 HB2 PRO 30 5.585 7.648 7.792
186 HB3 PRO 30 HB3 PRO 30 4.581 9.055 7.451
187 HG2 PRO 30 HG2 PRO 30 4.926 8.201 9.987
188 HG3 PRO 30 HG3 PRO 30 3.387 8.879 9.434
189 HD2 PRO 30 HD2 PRO 30 4.148 6.037 9.908
190 HD3 PRO 30 HD3 PRO 30 2.599 6.850 10.204
191 H TYR 31 H TYR 31 4.728 4.891 7.590
192 HA TYR 31 HA TYR 31 5.995 4.844 4.948
193 HB2 TYR 31 HB2 TYR 31 6.841 3.321 7.432
194 HB3 TYR 31 HB3 TYR 31 7.721 3.439 5.918
195 HD1 TYR 31 HD1 TYR 31 6.675 5.318 8.931
196 HD2 TYR 31 HD2 TYR 31 9.086 5.347 5.433
197 HE1 TYR 31 HE1 TYR 31 7.842 7.301 9.767
198 HE2 TYR 31 HE2 TYR 31 10.266 7.346 6.267
199 HH TYR 31 HH TYR 31 9.928 8.461 9.483
200 H TYR 32 H TYR 32 3.778 3.194 7.056
201 HA TYR 32 HA TYR 32 3.742 0.929 5.217
202 HB2 TYR 32 HB2 TYR 32 3.984 0.410 7.667
203 HB3 TYR 32 HB3 TYR 32 2.382 1.088 7.912
204 HD1 TYR 32 HD1 TYR 32 4.238 -1.648 6.282
205 HD2 TYR 32 HD2 TYR 32 0.396 -0.184 7.404
206 HE1 TYR 32 HE1 TYR 32 3.249 -3.828 5.748
207 HE2 TYR 32 HE2 TYR 32 -0.588 -2.378 6.877
208 HH TYR 32 HH TYR 32 -0.037 -4.366 5.409
209 H SER 33 H SER 33 2.350 1.054 3.671
210 HA SER 33 HA SER 33 -0.327 2.128 4.202
211 HB2 SER 33 HB2 SER 33 1.211 2.199 1.595
212 HB3 SER 33 HB3 SER 33 -0.355 2.948 1.918
213 HG SER 33 HG SER 33 1.610 4.296 2.003
214 H GLN 34 H GLN 34 -2.007 0.864 3.193
215 HA GLN 34 HA GLN 34 -1.049 -1.690 2.115
216 HB2 GLN 34 HB2 GLN 34 -1.626 -1.869 4.549
217 HB3 GLN 34 HB3 GLN 34 -3.269 -1.400 4.142
218 HG2 GLN 34 HG2 GLN 34 -3.500 -3.394 2.762
219 HG3 GLN 34 HG3 GLN 34 -1.850 -3.864 3.162
220 HE21 GLN 34 HE21 GLN 34 -2.432 -5.769 4.170
221 HE22 GLN 34 HE22 GLN 34 -3.255 -5.811 5.671
222 H CYS 35 H CYS 35 -2.396 -2.623 0.611
223 HA CYS 35 HA CYS 35 -4.344 -0.861 -0.640
224 HB2 CYS 35 HB2 CYS 35 -3.327 -3.583 -1.472
225 HB3 CYS 35 HB3 CYS 35 -4.373 -2.545 -2.432
226 H LEU 36 H LEU 36 -6.276 -0.911 0.305
227 HA LEU 36 HA LEU 36 -7.401 -3.523 0.952
228 HB2 LEU 36 HB2 LEU 36 -8.197 -0.814 2.051
229 HB3 LEU 36 HB3 LEU 36 -9.014 -2.316 2.410
230 HG LEU 36 HG LEU 36 -7.753 -1.928 4.298
231 HD11 LEU 36 HD11 LEU 36 -6.016 -3.576 4.424
232 HD12 LEU 36 HD12 LEU 36 -6.026 -3.716 2.669
233 HD13 LEU 36 HD13 LEU 36 -7.453 -4.176 3.596
234 HD21 LEU 36 HD21 LEU 36 -5.397 -1.155 2.595
235 HD22 LEU 36 HD22 LEU 36 -5.423 -1.229 4.359
236 HD23 LEU 36 HD23 LEU 36 -6.440 -0.064 3.508
Start of MODEL 8
1 H1 THR 1 H1 THR 1 1.078 -4.951 -10.229
2 H2 THR 1 H2 THR 1 2.564 -4.199 -9.937
3 H3 THR 1 H3 THR 1 1.456 -3.500 -10.995
4 HA THR 1 HA THR 1 1.430 -2.407 -8.840
5 HB THR 1 HB THR 1 -1.034 -2.855 -8.364
6 HG1 THR 1 HG1 THR 1 -1.965 -4.022 -10.290
7 HG21 THR 1 HG21 THR 1 -0.223 -2.178 -11.188
8 HG22 THR 1 HG22 THR 1 -0.135 -1.100 -9.814
9 HG23 THR 1 HG23 THR 1 -1.716 -1.672 -10.376
10 H GLN 2 H GLN 2 0.066 -2.841 -6.644
11 HA GLN 2 HA GLN 2 1.317 -5.208 -5.418
12 HB2 GLN 2 HB2 GLN 2 1.635 -2.848 -4.494
13 HB3 GLN 2 HB3 GLN 2 -0.066 -2.914 -4.044
14 HG2 GLN 2 HG2 GLN 2 1.356 -3.538 -2.183
15 HG3 GLN 2 HG3 GLN 2 0.345 -4.888 -2.707
16 HE21 GLN 2 HE21 GLN 2 1.597 -6.507 -2.076
17 HE22 GLN 2 HE22 GLN 2 3.195 -6.832 -2.633
18 H SER 3 H SER 3 0.134 -6.742 -4.349
19 HA SER 3 HA SER 3 -2.501 -7.140 -5.320
20 HB2 SER 3 HB2 SER 3 -2.260 -9.228 -3.859
21 HB3 SER 3 HB3 SER 3 -1.136 -9.054 -5.209
22 HG SER 3 HG SER 3 0.432 -8.979 -3.878
23 H HIS 4 H HIS 4 -4.162 -7.987 -3.719
24 HA HIS 4 HA HIS 4 -4.960 -5.908 -2.013
25 HB2 HIS 4 HB2 HIS 4 -6.411 -7.703 -3.187
26 HB3 HIS 4 HB3 HIS 4 -5.966 -8.760 -1.853
27 HD1 HIS 4 HD1 HIS 4 -8.882 -8.323 -2.036
28 HD2 HIS 4 HD2 HIS 4 -6.449 -5.567 -0.114
29 HE1 HIS 4 HE1 HIS 4 -10.390 -7.013 -0.547
30 HE2 HIS 4 HE2 HIS 4 -8.929 -5.078 0.062
31 H TYR 5 H TYR 5 -4.504 -5.516 0.048
32 HA TYR 5 HA TYR 5 -3.815 -5.616 2.128
33 HB2 TYR 5 HB2 TYR 5 -3.603 -8.607 1.791
34 HB3 TYR 5 HB3 TYR 5 -3.405 -7.762 3.320
35 HD1 TYR 5 HD1 TYR 5 -5.722 -9.171 0.968
36 HD2 TYR 5 HD2 TYR 5 -5.413 -6.573 4.308
37 HE1 TYR 5 HE1 TYR 5 -8.137 -9.383 1.331
38 HE2 TYR 5 HE2 TYR 5 -7.843 -6.772 4.686
39 HH TYR 5 HH TYR 5 -9.766 -9.118 3.003
40 H GLY 6 H GLY 6 -2.036 -5.911 -0.418
41 HA2 GLY 6 HA2 GLY 6 0.457 -6.502 0.911
42 HA3 GLY 6 HA3 GLY 6 0.244 -6.092 -0.795
43 H GLN 7 H GLN 7 2.234 -4.908 0.609
44 HA GLN 7 HA GLN 7 1.292 -2.332 1.558
45 HB2 GLN 7 HB2 GLN 7 3.161 -3.469 2.717
46 HB3 GLN 7 HB3 GLN 7 4.127 -3.361 1.250
47 HG2 GLN 7 HG2 GLN 7 3.934 -0.902 1.349
48 HG3 GLN 7 HG3 GLN 7 3.068 -1.057 2.870
49 HE21 GLN 7 HE21 GLN 7 5.482 0.320 2.299
50 HE22 GLN 7 HE22 GLN 7 6.712 -0.305 3.326
51 H CYS 8 H CYS 8 0.592 -1.034 -0.052
52 HA CYS 8 HA CYS 8 1.851 -0.847 -2.598
53 HB2 CYS 8 HB2 CYS 8 0.658 1.411 -2.636
54 HB3 CYS 8 HB3 CYS 8 -0.391 -0.034 -2.584
55 H GLY 9 H GLY 9 2.275 0.608 0.461
56 HA2 GLY 9 HA2 GLY 9 4.569 1.149 0.973
57 HA3 GLY 9 HA3 GLY 9 4.699 1.740 -0.669
58 H GLY 10 H GLY 10 4.791 2.650 2.309
59 HA2 GLY 10 HA2 GLY 10 3.466 5.186 1.985
60 HA3 GLY 10 HA3 GLY 10 4.290 4.556 3.396
61 H ILE 11 H ILE 11 5.553 6.521 3.425
62 HA ILE 11 HA ILE 11 7.404 7.223 1.442
63 HB ILE 11 HB ILE 11 7.652 7.546 4.453
64 HG12 ILE 11 HG12 ILE 11 6.510 9.462 2.408
65 HG13 ILE 11 HG13 ILE 11 5.545 8.451 3.476
66 HG21 ILE 11 HG21 ILE 11 8.967 9.065 2.195
67 HG22 ILE 11 HG22 ILE 11 9.765 7.936 3.292
68 HG23 ILE 11 HG23 ILE 11 9.107 9.450 3.911
69 HD11 ILE 11 HD11 ILE 11 7.454 10.608 4.327
70 HD12 ILE 11 HD12 ILE 11 6.473 9.614 5.406
71 HD13 ILE 11 HD13 ILE 11 5.697 10.734 4.285
72 H GLY 12 H GLY 12 9.179 6.172 0.744
73 HA2 GLY 12 HA2 GLY 12 11.343 5.172 1.306
74 HA3 GLY 12 HA3 GLY 12 10.518 4.313 2.604
75 H TYR 13 H TYR 13 8.441 4.232 0.142
76 HA TYR 13 HA TYR 13 9.468 1.634 -0.802
77 HB2 TYR 13 HB2 TYR 13 7.354 1.683 0.611
78 HB3 TYR 13 HB3 TYR 13 6.606 2.590 -0.686
79 HD1 TYR 13 HD1 TYR 13 6.480 1.418 -3.003
80 HD2 TYR 13 HD2 TYR 13 7.290 -0.646 0.621
81 HE1 TYR 13 HE1 TYR 13 5.749 -0.681 -4.037
82 HE2 TYR 13 HE2 TYR 13 6.570 -2.756 -0.414
83 HH TYR 13 HH TYR 13 4.915 -3.334 -2.416
84 H SER 14 H SER 14 10.094 1.701 -2.880
85 HA SER 14 HA SER 14 8.961 3.777 -4.606
86 HB2 SER 14 HB2 SER 14 11.181 3.538 -5.816
87 HB3 SER 14 HB3 SER 14 11.248 4.250 -4.203
88 HG SER 14 HG SER 14 12.753 2.402 -4.868
89 H GLY 15 H GLY 15 8.450 0.695 -4.085
90 HA2 GLY 15 HA2 GLY 15 8.774 -0.321 -6.799
91 HA3 GLY 15 HA3 GLY 15 8.199 -1.238 -5.407
92 HA PRO 16 HA PRO 16 4.320 -0.665 -7.835
93 HB2 PRO 16 HB2 PRO 16 3.436 -2.672 -5.853
94 HB3 PRO 16 HB3 PRO 16 3.288 -2.701 -7.611
95 HG2 PRO 16 HG2 PRO 16 5.025 -4.278 -6.381
96 HG3 PRO 16 HG3 PRO 16 5.438 -3.479 -7.912
97 HD2 PRO 16 HD2 PRO 16 6.228 -2.743 -5.114
98 HD3 PRO 16 HD3 PRO 16 7.220 -2.765 -6.590
99 H THR 17 H THR 17 3.909 1.383 -7.005
100 HA THR 17 HA THR 17 2.842 1.556 -4.325
101 HB THR 17 HB THR 17 2.772 4.071 -4.951
102 HG1 THR 17 HG1 THR 17 4.729 3.291 -6.821
103 HG21 THR 17 HG21 THR 17 4.427 3.097 -3.409
104 HG22 THR 17 HG22 THR 17 5.168 4.324 -4.437
105 HG23 THR 17 HG23 THR 17 5.418 2.614 -4.785
106 H VAL 18 H VAL 18 1.672 0.959 -7.346
107 HA VAL 18 HA VAL 18 -0.926 2.177 -6.774
108 HB VAL 18 HB VAL 18 0.013 0.800 -9.315
109 HG11 VAL 18 HG11 VAL 18 -2.408 0.714 -9.059
110 HG12 VAL 18 HG12 VAL 18 -1.975 1.831 -10.356
111 HG13 VAL 18 HG13 VAL 18 -2.456 2.454 -8.780
112 HG21 VAL 18 HG21 VAL 18 0.139 3.054 -10.305
113 HG22 VAL 18 HG22 VAL 18 1.269 2.854 -8.963
114 HG23 VAL 18 HG23 VAL 18 -0.231 3.753 -8.727
115 H CYS 19 H CYS 19 -2.639 0.895 -6.300
116 HA CYS 19 HA CYS 19 -2.003 -1.859 -5.699
117 HB2 CYS 19 HB2 CYS 19 -4.391 -0.159 -5.022
118 HB3 CYS 19 HB3 CYS 19 -4.132 -1.812 -4.475
119 H ALA 20 H ALA 20 -3.571 -3.547 -6.144
120 HA ALA 20 HA ALA 20 -4.199 -3.738 -8.864
121 HB1 ALA 20 HB1 ALA 20 -5.223 -5.873 -8.292
122 HB2 ALA 20 HB2 ALA 20 -5.207 -5.435 -6.584
123 HB3 ALA 20 HB3 ALA 20 -3.687 -5.672 -7.446
124 H SER 21 H SER 21 -6.375 -4.340 -9.687
125 HA SER 21 HA SER 21 -8.071 -2.214 -9.652
126 HB2 SER 21 HB2 SER 21 -8.701 -5.058 -10.403
127 HB3 SER 21 HB3 SER 21 -9.497 -3.599 -11.006
128 HG SER 21 HG SER 21 -7.612 -2.968 -11.960
129 H GLY 22 H GLY 22 -9.240 -1.492 -8.014
130 HA2 GLY 22 HA2 GLY 22 -11.284 -1.644 -6.801
131 HA3 GLY 22 HA3 GLY 22 -11.021 -3.374 -6.650
132 H THR 23 H THR 23 -8.098 -2.428 -5.959
133 HA THR 23 HA THR 23 -8.761 -2.191 -3.120
134 HB THR 23 HB THR 23 -6.456 -2.966 -2.645
135 HG1 THR 23 HG1 THR 23 -6.242 -2.778 -5.459
136 HG21 THR 23 HG21 THR 23 -7.943 -4.693 -4.612
137 HG22 THR 23 HG22 THR 23 -8.188 -4.640 -2.862
138 HG23 THR 23 HG23 THR 23 -6.674 -5.251 -3.522
139 H THR 24 H THR 24 -7.945 -0.569 -1.855
140 HA THR 24 HA THR 24 -6.940 1.705 -3.398
141 HB THR 24 HB THR 24 -7.783 3.045 -1.432
142 HG1 THR 24 HG1 THR 24 -8.731 0.457 -0.662
143 HG21 THR 24 HG21 THR 24 -10.126 2.909 -2.144
144 HG22 THR 24 HG22 THR 24 -9.767 1.400 -2.994
145 HG23 THR 24 HG23 THR 24 -9.015 2.909 -3.516
146 H CYS 25 H CYS 25 -5.042 2.681 -2.858
147 HA CYS 25 HA CYS 25 -3.412 1.348 -0.918
148 HB2 CYS 25 HB2 CYS 25 -2.335 2.168 -2.966
149 HB3 CYS 25 HB3 CYS 25 -2.855 3.810 -2.600
150 H GLN 26 H GLN 26 -3.878 1.734 1.089
151 HA GLN 26 HA GLN 26 -4.592 4.454 1.834
152 HB2 GLN 26 HB2 GLN 26 -5.155 1.836 3.199
153 HB3 GLN 26 HB3 GLN 26 -5.560 3.404 3.866
154 HG2 GLN 26 HG2 GLN 26 -7.036 3.844 1.971
155 HG3 GLN 26 HG3 GLN 26 -6.614 2.280 1.280
156 HE21 GLN 26 HE21 GLN 26 -8.718 1.607 1.302
157 HE22 GLN 26 HE22 GLN 26 -9.556 1.147 2.730
158 H VAL 27 H VAL 27 -3.030 5.535 2.654
159 HA VAL 27 HA VAL 27 -0.702 4.290 3.763
160 HB VAL 27 HB VAL 27 -1.451 7.255 3.786
161 HG11 VAL 27 HG11 VAL 27 0.292 6.660 5.329
162 HG12 VAL 27 HG12 VAL 27 0.854 7.711 4.026
163 HG13 VAL 27 HG13 VAL 27 1.236 5.985 4.000
164 HG21 VAL 27 HG21 VAL 27 -1.483 6.433 1.492
165 HG22 VAL 27 HG22 VAL 27 0.129 5.748 1.712
166 HG23 VAL 27 HG23 VAL 27 -0.102 7.495 1.769
167 H LEU 28 H LEU 28 -1.158 3.249 5.545
168 HA LEU 28 HA LEU 28 -3.161 4.089 7.447
169 HB2 LEU 28 HB2 LEU 28 -1.138 1.875 7.775
170 HB3 LEU 28 HB3 LEU 28 -2.666 2.052 8.606
171 HG LEU 28 HG LEU 28 -2.260 1.325 5.705
172 HD11 LEU 28 HD11 LEU 28 -1.802 -0.468 7.265
173 HD12 LEU 28 HD12 LEU 28 -3.265 -0.789 6.335
174 HD13 LEU 28 HD13 LEU 28 -3.385 -0.243 8.009
175 HD21 LEU 28 HD21 LEU 28 -4.667 1.063 5.573
176 HD22 LEU 28 HD22 LEU 28 -4.236 2.735 5.951
177 HD23 LEU 28 HD23 LEU 28 -4.841 1.665 7.221
178 H ASN 29 H ASN 29 0.265 3.899 7.192
179 HA ASN 29 HA ASN 29 0.658 5.667 9.485
180 HB2 ASN 29 HB2 ASN 29 2.386 3.280 8.727
181 HB3 ASN 29 HB3 ASN 29 2.663 4.371 10.077
182 HD21 ASN 29 HD21 ASN 29 0.922 1.683 8.887
183 HD22 ASN 29 HD22 ASN 29 0.250 1.152 10.374
184 HA PRO 30 HA PRO 30 2.779 7.889 6.380
185 HB2 PRO 30 HB2 PRO 30 5.399 7.915 7.604
186 HB3 PRO 30 HB3 PRO 30 4.319 9.273 7.293
187 HG2 PRO 30 HG2 PRO 30 4.790 8.351 9.815
188 HG3 PRO 30 HG3 PRO 30 3.257 9.092 9.334
189 HD2 PRO 30 HD2 PRO 30 3.920 6.221 9.769
190 HD3 PRO 30 HD3 PRO 30 2.397 7.077 10.048
191 H TYR 31 H TYR 31 4.590 5.118 7.533
192 HA TYR 31 HA TYR 31 5.958 5.005 4.942
193 HB2 TYR 31 HB2 TYR 31 6.706 3.536 7.482
194 HB3 TYR 31 HB3 TYR 31 7.640 3.655 6.003
195 HD1 TYR 31 HD1 TYR 31 6.543 5.484 9.009
196 HD2 TYR 31 HD2 TYR 31 8.902 5.638 5.480
197 HE1 TYR 31 HE1 TYR 31 7.687 7.472 9.868
198 HE2 TYR 31 HE2 TYR 31 10.045 7.631 6.330
199 HH TYR 31 HH TYR 31 9.647 9.419 7.902
200 H TYR 32 H TYR 32 3.692 3.377 6.989
201 HA TYR 32 HA TYR 32 3.755 1.069 5.195
202 HB2 TYR 32 HB2 TYR 32 3.854 0.607 7.669
203 HB3 TYR 32 HB3 TYR 32 2.266 1.324 7.795
204 HD1 TYR 32 HD1 TYR 32 4.085 -1.452 6.127
205 HD2 TYR 32 HD2 TYR 32 0.311 0.006 7.485
206 HE1 TYR 32 HE1 TYR 32 3.069 -3.640 5.654
207 HE2 TYR 32 HE2 TYR 32 -0.697 -2.186 7.013
208 HH TYR 32 HH TYR 32 -0.331 -4.140 5.700
209 H SER 33 H SER 33 2.459 1.194 3.565
210 HA SER 33 HA SER 33 -0.257 2.206 3.955
211 HB2 SER 33 HB2 SER 33 1.418 2.350 1.440
212 HB3 SER 33 HB3 SER 33 -0.194 3.037 1.676
213 HG SER 33 HG SER 33 1.697 4.447 1.883
214 H GLN 34 H GLN 34 -1.821 0.880 2.999
215 HA GLN 34 HA GLN 34 -0.775 -1.620 1.902
216 HB2 GLN 34 HB2 GLN 34 -1.235 -1.803 4.355
217 HB3 GLN 34 HB3 GLN 34 -2.910 -1.410 4.021
218 HG2 GLN 34 HG2 GLN 34 -3.205 -3.424 2.788
219 HG3 GLN 34 HG3 GLN 34 -1.483 -3.802 2.901
220 HE21 GLN 34 HE21 GLN 34 -1.758 -5.719 3.975
221 HE22 GLN 34 HE22 GLN 34 -2.365 -5.812 5.585
222 H CYS 35 H CYS 35 -2.187 -2.682 0.520
223 HA CYS 35 HA CYS 35 -4.153 -0.966 -0.749
224 HB2 CYS 35 HB2 CYS 35 -3.163 -3.722 -1.484
225 HB3 CYS 35 HB3 CYS 35 -4.210 -2.711 -2.475
226 H LEU 36 H LEU 36 -6.038 -0.961 0.253
227 HA LEU 36 HA LEU 36 -7.143 -3.530 1.077
228 HB2 LEU 36 HB2 LEU 36 -7.901 -0.771 2.066
229 HB3 LEU 36 HB3 LEU 36 -8.728 -2.242 2.510
230 HG LEU 36 HG LEU 36 -7.405 -1.797 4.350
231 HD11 LEU 36 HD11 LEU 36 -5.701 -3.477 4.505
232 HD12 LEU 36 HD12 LEU 36 -5.741 -3.688 2.758
233 HD13 LEU 36 HD13 LEU 36 -7.161 -4.088 3.722
234 HD21 LEU 36 HD21 LEU 36 -5.060 -1.133 4.307
235 HD22 LEU 36 HD22 LEU 36 -6.090 0.006 3.444
236 HD23 LEU 36 HD23 LEU 36 -5.094 -1.140 2.542
Start of MODEL 9
1 H1 THR 1 H1 THR 1 3.167 -4.602 -9.431
2 H2 THR 1 H2 THR 1 2.297 -4.264 -10.869
3 H3 THR 1 H3 THR 1 1.954 -5.646 -9.951
4 HA THR 1 HA THR 1 1.544 -2.911 -9.035
5 HB THR 1 HB THR 1 -0.549 -4.948 -9.795
6 HG1 THR 1 HG1 THR 1 -0.554 -4.077 -11.842
7 HG21 THR 1 HG21 THR 1 -1.265 -3.085 -8.451
8 HG22 THR 1 HG22 THR 1 -1.849 -2.801 -10.111
9 HG23 THR 1 HG23 THR 1 -0.396 -1.982 -9.494
10 H GLN 2 H GLN 2 0.475 -2.891 -6.916
11 HA GLN 2 HA GLN 2 1.424 -5.071 -5.315
12 HB2 GLN 2 HB2 GLN 2 1.716 -2.695 -4.676
13 HB3 GLN 2 HB3 GLN 2 -0.020 -2.547 -4.525
14 HG2 GLN 2 HG2 GLN 2 1.159 -2.799 -2.367
15 HG3 GLN 2 HG3 GLN 2 -0.060 -4.031 -2.663
16 HE21 GLN 2 HE21 GLN 2 0.540 -6.112 -2.752
17 HE22 GLN 2 HE22 GLN 2 2.151 -6.666 -2.443
18 H SER 3 H SER 3 0.313 -6.740 -4.781
19 HA SER 3 HA SER 3 -2.360 -7.213 -5.458
20 HB2 SER 3 HB2 SER 3 -0.664 -8.689 -3.455
21 HB3 SER 3 HB3 SER 3 -1.996 -9.337 -4.413
22 HG SER 3 HG SER 3 0.516 -9.359 -5.038
23 H HIS 4 H HIS 4 -3.980 -8.008 -3.837
24 HA HIS 4 HA HIS 4 -4.790 -5.947 -2.101
25 HB2 HIS 4 HB2 HIS 4 -6.233 -7.674 -3.296
26 HB3 HIS 4 HB3 HIS 4 -5.735 -8.819 -2.067
27 HD1 HIS 4 HD1 HIS 4 -8.512 -8.812 -1.796
28 HD2 HIS 4 HD2 HIS 4 -6.449 -5.491 -0.403
29 HE1 HIS 4 HE1 HIS 4 -10.113 -7.598 -0.326
30 HE2 HIS 4 HE2 HIS 4 -8.944 -5.419 0.127
31 H TYR 5 H TYR 5 -4.398 -5.582 -0.005
32 HA TYR 5 HA TYR 5 -3.764 -5.711 2.087
33 HB2 TYR 5 HB2 TYR 5 -3.539 -8.695 1.670
34 HB3 TYR 5 HB3 TYR 5 -3.173 -7.910 3.202
35 HD1 TYR 5 HD1 TYR 5 -5.008 -6.692 4.409
36 HD2 TYR 5 HD2 TYR 5 -5.745 -9.152 1.025
37 HE1 TYR 5 HE1 TYR 5 -7.385 -6.825 5.030
38 HE2 TYR 5 HE2 TYR 5 -8.112 -9.272 1.624
39 HH TYR 5 HH TYR 5 -9.541 -7.254 3.932
40 H GLY 6 H GLY 6 -1.894 -5.855 -0.394
41 HA2 GLY 6 HA2 GLY 6 0.588 -6.304 1.037
42 HA3 GLY 6 HA3 GLY 6 0.414 -5.912 -0.675
43 H GLN 7 H GLN 7 2.278 -4.551 0.651
44 HA GLN 7 HA GLN 7 1.156 -2.063 1.628
45 HB2 GLN 7 HB2 GLN 7 3.031 -3.000 2.809
46 HB3 GLN 7 HB3 GLN 7 3.988 -3.052 1.329
47 HG2 GLN 7 HG2 GLN 7 3.949 -0.595 1.262
48 HG3 GLN 7 HG3 GLN 7 2.984 -0.572 2.734
49 HE21 GLN 7 HE21 GLN 7 5.554 0.585 2.218
50 HE22 GLN 7 HE22 GLN 7 6.653 -0.091 3.352
51 H CYS 8 H CYS 8 0.422 -0.750 0.062
52 HA CYS 8 HA CYS 8 1.374 -0.705 -2.577
53 HB2 CYS 8 HB2 CYS 8 0.383 1.687 -2.446
54 HB3 CYS 8 HB3 CYS 8 -0.729 0.277 -2.460
55 H GLY 9 H GLY 9 1.900 1.632 -0.001
56 HA2 GLY 9 HA2 GLY 9 4.561 1.927 -0.378
57 HA3 GLY 9 HA3 GLY 9 3.836 2.926 -1.630
58 H GLY 10 H GLY 10 4.926 2.767 1.435
59 HA2 GLY 10 HA2 GLY 10 3.612 5.263 2.103
60 HA3 GLY 10 HA3 GLY 10 4.417 4.190 3.248
61 H ILE 11 H ILE 11 5.689 6.273 3.689
62 HA ILE 11 HA ILE 11 7.604 7.230 1.867
63 HB ILE 11 HB ILE 11 7.769 7.158 4.898
64 HG12 ILE 11 HG12 ILE 11 6.810 9.364 3.053
65 HG13 ILE 11 HG13 ILE 11 5.773 8.334 4.033
66 HG21 ILE 11 HG21 ILE 11 9.372 9.002 4.682
67 HG22 ILE 11 HG22 ILE 11 9.295 8.863 2.929
68 HG23 ILE 11 HG23 ILE 11 9.964 7.541 3.885
69 HD11 ILE 11 HD11 ILE 11 6.072 10.517 5.047
70 HD12 ILE 11 HD12 ILE 11 7.823 10.283 5.068
71 HD13 ILE 11 HD13 ILE 11 6.784 9.258 6.058
72 H GLY 12 H GLY 12 9.050 6.094 0.854
73 HA2 GLY 12 HA2 GLY 12 11.269 5.142 1.074
74 HA3 GLY 12 HA3 GLY 12 10.670 4.206 2.433
75 H TYR 13 H TYR 13 8.207 4.088 0.359
76 HA TYR 13 HA TYR 13 9.188 1.561 -0.799
77 HB2 TYR 13 HB2 TYR 13 6.977 1.764 0.520
78 HB3 TYR 13 HB3 TYR 13 6.381 2.652 -0.875
79 HD1 TYR 13 HD1 TYR 13 6.762 -0.539 0.603
80 HD2 TYR 13 HD2 TYR 13 6.474 1.385 -3.166
81 HE1 TYR 13 HE1 TYR 13 6.089 -2.667 -0.419
82 HE2 TYR 13 HE2 TYR 13 5.794 -0.740 -4.203
83 HH TYR 13 HH TYR 13 4.697 -3.301 -2.520
84 H SER 14 H SER 14 9.669 1.486 -2.942
85 HA SER 14 HA SER 14 8.818 3.750 -4.602
86 HB2 SER 14 HB2 SER 14 11.088 3.394 -5.735
87 HB3 SER 14 HB3 SER 14 11.086 4.136 -4.131
88 HG SER 14 HG SER 14 11.970 1.635 -4.955
89 H GLY 15 H GLY 15 8.474 0.504 -4.212
90 HA2 GLY 15 HA2 GLY 15 8.745 -0.306 -6.972
91 HA3 GLY 15 HA3 GLY 15 8.183 -1.295 -5.634
92 HA PRO 16 HA PRO 16 4.214 -0.829 -7.994
93 HB2 PRO 16 HB2 PRO 16 3.507 -2.918 -6.040
94 HB3 PRO 16 HB3 PRO 16 3.366 -2.939 -7.799
95 HG2 PRO 16 HG2 PRO 16 5.193 -4.426 -6.580
96 HG3 PRO 16 HG3 PRO 16 5.576 -3.584 -8.094
97 HD2 PRO 16 HD2 PRO 16 6.288 -2.827 -5.284
98 HD3 PRO 16 HD3 PRO 16 7.282 -2.801 -6.759
99 H THR 17 H THR 17 4.207 1.281 -6.816
100 HA THR 17 HA THR 17 2.887 1.358 -4.323
101 HB THR 17 HB THR 17 2.694 3.850 -4.979
102 HG1 THR 17 HG1 THR 17 3.059 4.084 -7.030
103 HG21 THR 17 HG21 THR 17 5.062 4.226 -4.489
104 HG22 THR 17 HG22 THR 17 5.424 2.550 -4.904
105 HG23 THR 17 HG23 THR 17 4.442 2.909 -3.488
106 H VAL 18 H VAL 18 1.924 1.119 -7.542
107 HA VAL 18 HA VAL 18 -0.769 2.060 -7.189
108 HB VAL 18 HB VAL 18 0.371 0.326 -9.409
109 HG11 VAL 18 HG11 VAL 18 -1.511 1.149 -10.749
110 HG12 VAL 18 HG12 VAL 18 -2.125 2.022 -9.346
111 HG13 VAL 18 HG13 VAL 18 -2.057 0.260 -9.326
112 HG21 VAL 18 HG21 VAL 18 1.611 2.416 -9.259
113 HG22 VAL 18 HG22 VAL 18 0.103 3.333 -9.295
114 HG23 VAL 18 HG23 VAL 18 0.604 2.398 -10.707
115 H CYS 19 H CYS 19 -2.406 0.891 -6.408
116 HA CYS 19 HA CYS 19 -1.967 -1.848 -5.597
117 HB2 CYS 19 HB2 CYS 19 -4.283 0.040 -5.191
118 HB3 CYS 19 HB3 CYS 19 -4.207 -1.593 -4.548
119 H ALA 20 H ALA 20 -3.565 -3.474 -6.009
120 HA ALA 20 HA ALA 20 -4.167 -3.917 -8.693
121 HB1 ALA 20 HB1 ALA 20 -5.383 -5.153 -6.226
122 HB2 ALA 20 HB2 ALA 20 -3.911 -5.688 -7.027
123 HB3 ALA 20 HB3 ALA 20 -5.466 -5.816 -7.856
124 H SER 21 H SER 21 -6.308 -4.165 -9.676
125 HA SER 21 HA SER 21 -7.859 -1.856 -9.461
126 HB2 SER 21 HB2 SER 21 -8.569 -4.482 -10.770
127 HB3 SER 21 HB3 SER 21 -9.175 -2.876 -11.189
128 HG SER 21 HG SER 21 -7.412 -3.769 -12.501
129 H GLY 22 H GLY 22 -9.150 -1.432 -7.790
130 HA2 GLY 22 HA2 GLY 22 -11.285 -1.878 -6.762
131 HA3 GLY 22 HA3 GLY 22 -10.883 -3.590 -6.806
132 H THR 23 H THR 23 -8.105 -2.077 -5.971
133 HA THR 23 HA THR 23 -8.807 -2.201 -3.133
134 HB THR 23 HB THR 23 -6.472 -2.887 -2.634
135 HG1 THR 23 HG1 THR 23 -6.211 -2.602 -5.418
136 HG21 THR 23 HG21 THR 23 -8.119 -4.643 -2.880
137 HG22 THR 23 HG22 THR 23 -6.578 -5.178 -3.539
138 HG23 THR 23 HG23 THR 23 -7.872 -4.668 -4.624
139 H THR 24 H THR 24 -8.115 -0.592 -1.833
140 HA THR 24 HA THR 24 -7.202 1.807 -3.240
141 HB THR 24 HB THR 24 -8.034 2.971 -1.148
142 HG1 THR 24 HG1 THR 24 -8.781 0.301 -0.543
143 HG21 THR 24 HG21 THR 24 -9.340 2.921 -3.207
144 HG22 THR 24 HG22 THR 24 -10.396 2.815 -1.795
145 HG23 THR 24 HG23 THR 24 -10.032 1.368 -2.736
146 H CYS 25 H CYS 25 -5.283 2.772 -2.712
147 HA CYS 25 HA CYS 25 -3.646 1.466 -0.753
148 HB2 CYS 25 HB2 CYS 25 -2.529 2.314 -2.761
149 HB3 CYS 25 HB3 CYS 25 -3.105 3.944 -2.412
150 H GLN 26 H GLN 26 -4.054 1.846 1.248
151 HA GLN 26 HA GLN 26 -4.789 4.569 2.034
152 HB2 GLN 26 HB2 GLN 26 -5.241 1.936 3.455
153 HB3 GLN 26 HB3 GLN 26 -5.734 3.518 4.057
154 HG2 GLN 26 HG2 GLN 26 -7.256 3.799 2.215
155 HG3 GLN 26 HG3 GLN 26 -6.686 2.315 1.470
156 HE21 GLN 26 HE21 GLN 26 -8.707 1.443 1.432
157 HE22 GLN 26 HE22 GLN 26 -9.495 0.865 2.850
158 H VAL 27 H VAL 27 -3.132 5.639 2.764
159 HA VAL 27 HA VAL 27 -0.803 4.289 3.772
160 HB VAL 27 HB VAL 27 -1.354 7.301 3.730
161 HG11 VAL 27 HG11 VAL 27 1.183 5.775 4.027
162 HG12 VAL 27 HG12 VAL 27 0.394 6.784 5.242
163 HG13 VAL 27 HG13 VAL 27 1.080 7.521 3.791
164 HG21 VAL 27 HG21 VAL 27 -1.503 6.373 1.463
165 HG22 VAL 27 HG22 VAL 27 0.085 5.634 1.667
166 HG23 VAL 27 HG23 VAL 27 -0.074 7.389 1.656
167 H LEU 28 H LEU 28 -1.116 3.368 5.626
168 HA LEU 28 HA LEU 28 -3.024 4.316 7.578
169 HB2 LEU 28 HB2 LEU 28 -1.081 2.007 7.726
170 HB3 LEU 28 HB3 LEU 28 -2.462 2.265 8.776
171 HG LEU 28 HG LEU 28 -2.605 1.664 5.816
172 HD11 LEU 28 HD11 LEU 28 -3.507 -0.487 6.496
173 HD12 LEU 28 HD12 LEU 28 -3.245 -0.073 8.188
174 HD13 LEU 28 HD13 LEU 28 -1.868 -0.255 7.100
175 HD21 LEU 28 HD21 LEU 28 -4.993 1.392 6.222
176 HD22 LEU 28 HD22 LEU 28 -4.445 3.042 6.537
177 HD23 LEU 28 HD23 LEU 28 -4.753 1.932 7.887
178 H ASN 29 H ASN 29 0.378 3.620 7.494
179 HA ASN 29 HA ASN 29 0.866 5.577 9.630
180 HB2 ASN 29 HB2 ASN 29 2.448 3.096 8.849
181 HB3 ASN 29 HB3 ASN 29 2.965 4.290 10.027
182 HD21 ASN 29 HD21 ASN 29 2.536 1.450 10.294
183 HD22 ASN 29 HD22 ASN 29 1.399 1.254 11.569
184 HA PRO 30 HA PRO 30 3.063 7.813 6.560
185 HB2 PRO 30 HB2 PRO 30 5.677 7.592 7.842
186 HB3 PRO 30 HB3 PRO 30 4.748 9.045 7.468
187 HG2 PRO 30 HG2 PRO 30 5.010 8.187 10.006
188 HG3 PRO 30 HG3 PRO 30 3.512 8.936 9.423
189 HD2 PRO 30 HD2 PRO 30 4.138 6.069 9.919
190 HD3 PRO 30 HD3 PRO 30 2.625 6.950 10.202
191 H TYR 31 H TYR 31 4.778 4.929 7.669
192 HA TYR 31 HA TYR 31 6.056 4.765 5.033
193 HB2 TYR 31 HB2 TYR 31 6.764 3.126 7.485
194 HB3 TYR 31 HB3 TYR 31 7.695 3.329 6.016
195 HD1 TYR 31 HD1 TYR 31 6.597 5.023 9.110
196 HD2 TYR 31 HD2 TYR 31 9.154 5.221 5.722
197 HE1 TYR 31 HE1 TYR 31 7.808 6.856 10.152
198 HE2 TYR 31 HE2 TYR 31 10.374 7.077 6.753
199 HH TYR 31 HH TYR 31 9.955 8.836 8.491
200 H TYR 32 H TYR 32 3.722 3.267 7.122
201 HA TYR 32 HA TYR 32 3.627 0.948 5.343
202 HB2 TYR 32 HB2 TYR 32 3.750 0.446 7.793
203 HB3 TYR 32 HB3 TYR 32 2.206 1.262 7.988
204 HD1 TYR 32 HD1 TYR 32 3.802 -1.546 6.152
205 HD2 TYR 32 HD2 TYR 32 0.164 0.036 7.747
206 HE1 TYR 32 HE1 TYR 32 2.653 -3.649 5.625
207 HE2 TYR 32 HE2 TYR 32 -0.967 -2.075 7.224
208 HH TYR 32 HH TYR 32 -0.771 -3.963 5.811
209 H SER 33 H SER 33 2.337 1.125 3.765
210 HA SER 33 HA SER 33 -0.336 2.252 4.167
211 HB2 SER 33 HB2 SER 33 1.303 2.211 1.629
212 HB3 SER 33 HB3 SER 33 -0.232 3.045 1.884
213 HG SER 33 HG SER 33 1.696 4.375 2.019
214 H GLN 34 H GLN 34 -1.960 0.997 2.935
215 HA GLN 34 HA GLN 34 -0.938 -1.567 1.979
216 HB2 GLN 34 HB2 GLN 34 -1.467 -1.753 4.409
217 HB3 GLN 34 HB3 GLN 34 -3.132 -1.337 4.038
218 HG2 GLN 34 HG2 GLN 34 -3.374 -3.348 2.727
219 HG3 GLN 34 HG3 GLN 34 -1.677 -3.753 2.995
220 HE21 GLN 34 HE21 GLN 34 -2.050 -5.658 4.066
221 HE22 GLN 34 HE22 GLN 34 -2.779 -5.718 5.624
222 H CYS 35 H CYS 35 -2.278 -2.601 0.539
223 HA CYS 35 HA CYS 35 -4.295 -0.928 -0.727
224 HB2 CYS 35 HB2 CYS 35 -3.167 -3.614 -1.534
225 HB3 CYS 35 HB3 CYS 35 -4.241 -2.627 -2.515
226 H LEU 36 H LEU 36 -6.198 -1.052 0.233
227 HA LEU 36 HA LEU 36 -7.205 -3.690 1.012
228 HB2 LEU 36 HB2 LEU 36 -8.082 -0.974 2.010
229 HB3 LEU 36 HB3 LEU 36 -8.850 -2.483 2.437
230 HG LEU 36 HG LEU 36 -7.586 -1.997 4.279
231 HD11 LEU 36 HD11 LEU 36 -7.236 -4.259 3.681
232 HD12 LEU 36 HD12 LEU 36 -5.771 -3.603 4.411
233 HD13 LEU 36 HD13 LEU 36 -5.865 -3.818 2.665
234 HD21 LEU 36 HD21 LEU 36 -6.318 -0.118 3.401
235 HD22 LEU 36 HD22 LEU 36 -5.260 -1.223 2.528
236 HD23 LEU 36 HD23 LEU 36 -5.274 -1.220 4.294
Start of MODEL 10
1 H1 THR 1 H1 THR 1 1.939 -5.491 -10.006
2 H2 THR 1 H2 THR 1 3.172 -4.372 -9.601
3 H3 THR 1 H3 THR 1 2.113 -4.106 -10.916
4 HA THR 1 HA THR 1 1.511 -2.772 -8.996
5 HB THR 1 HB THR 1 -0.583 -4.764 -9.817
6 HG1 THR 1 HG1 THR 1 -0.539 -3.447 -11.835
7 HG21 THR 1 HG21 THR 1 -1.238 -2.817 -8.503
8 HG22 THR 1 HG22 THR 1 -1.844 -2.634 -10.163
9 HG23 THR 1 HG23 THR 1 -0.386 -1.776 -9.627
10 H GLN 2 H GLN 2 0.437 -2.867 -6.864
11 HA GLN 2 HA GLN 2 1.343 -5.169 -5.371
12 HB2 GLN 2 HB2 GLN 2 1.768 -2.827 -4.636
13 HB3 GLN 2 HB3 GLN 2 0.046 -2.618 -4.445
14 HG2 GLN 2 HG2 GLN 2 1.206 -2.983 -2.306
15 HG3 GLN 2 HG3 GLN 2 -0.014 -4.200 -2.644
16 HE21 GLN 2 HE21 GLN 2 0.591 -6.321 -2.750
17 HE22 GLN 2 HE22 GLN 2 2.212 -6.844 -2.430
18 H SER 3 H SER 3 0.110 -6.719 -4.621
19 HA SER 3 HA SER 3 -2.597 -6.946 -5.339
20 HB2 SER 3 HB2 SER 3 -2.249 -9.076 -3.924
21 HB3 SER 3 HB3 SER 3 -1.328 -8.886 -5.421
22 HG SER 3 HG SER 3 -0.360 -9.313 -3.045
23 H HIS 4 H HIS 4 -4.145 -7.743 -3.689
24 HA HIS 4 HA HIS 4 -4.852 -5.756 -1.842
25 HB2 HIS 4 HB2 HIS 4 -6.334 -7.419 -3.072
26 HB3 HIS 4 HB3 HIS 4 -5.794 -8.620 -1.913
27 HD1 HIS 4 HD1 HIS 4 -8.299 -8.894 -1.223
28 HD2 HIS 4 HD2 HIS 4 -6.718 -5.133 -0.502
29 HE1 HIS 4 HE1 HIS 4 -9.981 -7.717 0.223
30 HE2 HIS 4 HE2 HIS 4 -9.146 -5.357 0.260
31 H TYR 5 H TYR 5 -4.397 -5.514 0.271
32 HA TYR 5 HA TYR 5 -3.601 -5.731 2.294
33 HB2 TYR 5 HB2 TYR 5 -3.771 -8.662 1.689
34 HB3 TYR 5 HB3 TYR 5 -2.920 -8.131 3.130
35 HD1 TYR 5 HD1 TYR 5 -4.214 -8.607 4.970
36 HD2 TYR 5 HD2 TYR 5 -6.116 -6.968 1.539
37 HE1 TYR 5 HE1 TYR 5 -6.340 -8.497 6.204
38 HE2 TYR 5 HE2 TYR 5 -8.238 -6.866 2.756
39 HH TYR 5 HH TYR 5 -9.299 -7.925 4.633
40 H GLY 6 H GLY 6 -1.873 -5.823 -0.294
41 HA2 GLY 6 HA2 GLY 6 0.655 -6.434 1.009
42 HA3 GLY 6 HA3 GLY 6 0.419 -6.024 -0.689
43 H GLN 7 H GLN 7 2.389 -4.796 0.773
44 HA GLN 7 HA GLN 7 1.435 -2.215 1.681
45 HB2 GLN 7 HB2 GLN 7 3.333 -3.374 2.781
46 HB3 GLN 7 HB3 GLN 7 4.235 -3.239 1.271
47 HG2 GLN 7 HG2 GLN 7 4.085 -0.784 1.434
48 HG3 GLN 7 HG3 GLN 7 3.229 -0.945 2.960
49 HE21 GLN 7 HE21 GLN 7 5.653 0.395 2.379
50 HE22 GLN 7 HE22 GLN 7 6.897 -0.266 3.375
51 H CYS 8 H CYS 8 0.629 -1.054 -0.007
52 HA CYS 8 HA CYS 8 1.738 -0.947 -2.605
53 HB2 CYS 8 HB2 CYS 8 0.563 1.367 -2.569
54 HB3 CYS 8 HB3 CYS 8 -0.449 -0.111 -2.596
55 H GLY 9 H GLY 9 2.195 1.103 0.182
56 HA2 GLY 9 HA2 GLY 9 4.726 1.538 0.151
57 HA3 GLY 9 HA3 GLY 9 4.322 2.341 -1.355
58 H GLY 10 H GLY 10 5.033 2.793 1.675
59 HA2 GLY 10 HA2 GLY 10 3.527 5.269 1.857
60 HA3 GLY 10 HA3 GLY 10 4.359 4.447 3.171
61 H ILE 11 H ILE 11 5.604 6.473 3.428
62 HA ILE 11 HA ILE 11 7.545 7.261 1.551
63 HB ILE 11 HB ILE 11 7.752 7.367 4.587
64 HG12 ILE 11 HG12 ILE 11 6.702 9.471 2.686
65 HG13 ILE 11 HG13 ILE 11 5.683 8.428 3.668
66 HG21 ILE 11 HG21 ILE 11 9.887 7.769 3.453
67 HG22 ILE 11 HG22 ILE 11 9.274 9.248 4.197
68 HG23 ILE 11 HG23 ILE 11 9.132 9.011 2.454
69 HD11 ILE 11 HD11 ILE 11 6.651 9.395 5.691
70 HD12 ILE 11 HD12 ILE 11 5.921 10.625 4.666
71 HD13 ILE 11 HD13 ILE 11 7.676 10.435 4.703
72 H GLY 12 H GLY 12 9.443 6.296 0.978
73 HA2 GLY 12 HA2 GLY 12 11.445 5.076 1.458
74 HA3 GLY 12 HA3 GLY 12 10.583 4.273 2.765
75 H TYR 13 H TYR 13 8.389 4.105 0.484
76 HA TYR 13 HA TYR 13 9.460 1.587 -0.619
77 HB2 TYR 13 HB2 TYR 13 7.364 1.544 0.844
78 HB3 TYR 13 HB3 TYR 13 6.575 2.466 -0.419
79 HD1 TYR 13 HD1 TYR 13 6.418 1.374 -2.760
80 HD2 TYR 13 HD2 TYR 13 7.412 -0.783 0.762
81 HE1 TYR 13 HE1 TYR 13 5.759 -0.715 -3.861
82 HE2 TYR 13 HE2 TYR 13 6.761 -2.880 -0.335
83 HH TYR 13 HH TYR 13 5.098 -3.441 -2.262
84 H SER 14 H SER 14 9.540 1.413 -2.872
85 HA SER 14 HA SER 14 8.399 3.625 -4.386
86 HB2 SER 14 HB2 SER 14 10.629 3.810 -5.573
87 HB3 SER 14 HB3 SER 14 10.527 4.471 -3.939
88 HG SER 14 HG SER 14 11.906 2.287 -4.917
89 H GLY 15 H GLY 15 8.055 0.594 -4.166
90 HA2 GLY 15 HA2 GLY 15 8.665 -0.186 -6.916
91 HA3 GLY 15 HA3 GLY 15 8.084 -1.237 -5.629
92 HA PRO 16 HA PRO 16 4.156 -0.749 -7.911
93 HB2 PRO 16 HB2 PRO 16 3.277 -2.809 -6.027
94 HB3 PRO 16 HB3 PRO 16 3.344 -2.875 -7.789
95 HG2 PRO 16 HG2 PRO 16 4.996 -4.327 -6.261
96 HG3 PRO 16 HG3 PRO 16 5.509 -3.624 -7.808
97 HD2 PRO 16 HD2 PRO 16 6.027 -2.650 -5.027
98 HD3 PRO 16 HD3 PRO 16 7.133 -2.774 -6.414
99 H THR 17 H THR 17 3.943 1.312 -6.911
100 HA THR 17 HA THR 17 2.805 1.473 -4.300
101 HB THR 17 HB THR 17 2.655 3.938 -4.936
102 HG1 THR 17 HG1 THR 17 3.595 4.565 -6.789
103 HG21 THR 17 HG21 THR 17 4.488 3.011 -3.613
104 HG22 THR 17 HG22 THR 17 5.101 4.230 -4.738
105 HG23 THR 17 HG23 THR 17 5.312 2.515 -5.086
106 H VAL 18 H VAL 18 1.715 1.038 -7.411
107 HA VAL 18 HA VAL 18 -0.978 1.982 -6.892
108 HB VAL 18 HB VAL 18 0.147 0.507 -9.298
109 HG11 VAL 18 HG11 VAL 18 -2.263 0.259 -9.117
110 HG12 VAL 18 HG12 VAL 18 -1.875 1.341 -10.457
111 HG13 VAL 18 HG13 VAL 18 -2.449 2.002 -8.928
112 HG21 VAL 18 HG21 VAL 18 1.219 2.693 -9.006
113 HG22 VAL 18 HG22 VAL 18 -0.369 3.462 -8.943
114 HG23 VAL 18 HG23 VAL 18 0.174 2.681 -10.428
115 H CYS 19 H CYS 19 -2.607 0.621 -6.332
116 HA CYS 19 HA CYS 19 -1.901 -2.124 -5.708
117 HB2 CYS 19 HB2 CYS 19 -4.388 -0.519 -5.085
118 HB3 CYS 19 HB3 CYS 19 -4.004 -2.122 -4.476
119 H ALA 20 H ALA 20 -3.407 -3.798 -6.309
120 HA ALA 20 HA ALA 20 -4.187 -3.851 -8.980
121 HB1 ALA 20 HB1 ALA 20 -5.539 -5.791 -8.409
122 HB2 ALA 20 HB2 ALA 20 -5.379 -5.423 -6.690
123 HB3 ALA 20 HB3 ALA 20 -3.957 -5.890 -7.636
124 H SER 21 H SER 21 -6.086 -3.390 -10.035
125 HA SER 21 HA SER 21 -7.493 -1.190 -9.111
126 HB2 SER 21 HB2 SER 21 -8.346 -3.114 -11.283
127 HB3 SER 21 HB3 SER 21 -8.832 -1.428 -11.111
128 HG SER 21 HG SER 21 -6.290 -1.273 -11.057
129 H GLY 22 H GLY 22 -9.247 -0.962 -7.893
130 HA2 GLY 22 HA2 GLY 22 -11.425 -1.761 -7.156
131 HA3 GLY 22 HA3 GLY 22 -10.779 -3.389 -7.248
132 H THR 23 H THR 23 -8.217 -2.158 -6.002
133 HA THR 23 HA THR 23 -9.257 -2.135 -3.259
134 HB THR 23 HB THR 23 -7.093 -3.114 -2.508
135 HG1 THR 23 HG1 THR 23 -6.481 -2.952 -5.280
136 HG21 THR 23 HG21 THR 23 -8.415 -4.719 -4.699
137 HG22 THR 23 HG22 THR 23 -8.941 -4.627 -3.017
138 HG23 THR 23 HG23 THR 23 -7.394 -5.372 -3.416
139 H THR 24 H THR 24 -8.296 -0.617 -1.802
140 HA THR 24 HA THR 24 -7.172 1.635 -3.295
141 HB THR 24 HB THR 24 -7.974 3.025 -1.377
142 HG1 THR 24 HG1 THR 24 -8.816 0.480 -0.461
143 HG21 THR 24 HG21 THR 24 -9.259 2.811 -3.436
144 HG22 THR 24 HG22 THR 24 -10.335 2.938 -2.040
145 HG23 THR 24 HG23 THR 24 -10.053 1.370 -2.802
146 H CYS 25 H CYS 25 -5.265 2.543 -2.751
147 HA CYS 25 HA CYS 25 -3.678 1.163 -0.806
148 HB2 CYS 25 HB2 CYS 25 -2.541 1.895 -2.823
149 HB3 CYS 25 HB3 CYS 25 -3.056 3.554 -2.555
150 H GLN 26 H GLN 26 -4.069 1.568 1.210
151 HA GLN 26 HA GLN 26 -4.804 4.278 2.002
152 HB2 GLN 26 HB2 GLN 26 -5.166 1.619 3.374
153 HB3 GLN 26 HB3 GLN 26 -5.639 3.164 4.062
154 HG2 GLN 26 HG2 GLN 26 -7.206 3.519 2.232
155 HG3 GLN 26 HG3 GLN 26 -6.703 2.002 1.497
156 HE21 GLN 26 HE21 GLN 26 -8.768 1.217 1.570
157 HE22 GLN 26 HE22 GLN 26 -9.524 0.703 3.031
158 H VAL 27 H VAL 27 -3.179 5.421 2.715
159 HA VAL 27 HA VAL 27 -0.798 4.178 3.731
160 HB VAL 27 HB VAL 27 -1.456 7.166 3.658
161 HG11 VAL 27 HG11 VAL 27 1.143 5.744 3.887
162 HG12 VAL 27 HG12 VAL 27 0.347 6.712 5.128
163 HG13 VAL 27 HG13 VAL 27 0.951 7.480 3.656
164 HG21 VAL 27 HG21 VAL 27 -1.646 6.250 1.403
165 HG22 VAL 27 HG22 VAL 27 -0.052 5.514 1.562
166 HG23 VAL 27 HG23 VAL 27 -0.215 7.271 1.552
167 H LEU 28 H LEU 28 -1.012 3.306 5.612
168 HA LEU 28 HA LEU 28 -2.932 4.267 7.578
169 HB2 LEU 28 HB2 LEU 28 -1.011 1.948 7.801
170 HB3 LEU 28 HB3 LEU 28 -2.409 2.245 8.811
171 HG LEU 28 HG LEU 28 -2.414 1.425 5.907
172 HD11 LEU 28 HD11 LEU 28 -3.508 -0.593 6.723
173 HD12 LEU 28 HD12 LEU 28 -3.352 -0.009 8.377
174 HD13 LEU 28 HD13 LEU 28 -1.908 -0.379 7.431
175 HD21 LEU 28 HD21 LEU 28 -4.839 1.349 6.083
176 HD22 LEU 28 HD22 LEU 28 -4.223 2.987 6.323
177 HD23 LEU 28 HD23 LEU 28 -4.747 2.025 7.711
178 H ASN 29 H ASN 29 0.487 3.604 7.391
179 HA ASN 29 HA ASN 29 0.978 5.569 9.545
180 HB2 ASN 29 HB2 ASN 29 2.850 3.337 8.569
181 HB3 ASN 29 HB3 ASN 29 3.186 4.479 9.851
182 HD21 ASN 29 HD21 ASN 29 0.177 2.700 9.482
183 HD22 ASN 29 HD22 ASN 29 0.400 1.685 10.856
184 HA PRO 30 HA PRO 30 2.693 7.889 6.182
185 HB2 PRO 30 HB2 PRO 30 5.328 8.144 7.439
186 HB3 PRO 30 HB3 PRO 30 4.210 9.420 6.962
187 HG2 PRO 30 HG2 PRO 30 4.573 8.841 9.560
188 HG3 PRO 30 HG3 PRO 30 2.975 9.282 8.936
189 HD2 PRO 30 HD2 PRO 30 4.064 6.588 9.630
190 HD3 PRO 30 HD3 PRO 30 2.438 7.233 9.909
191 H TYR 31 H TYR 31 4.618 5.335 7.484
192 HA TYR 31 HA TYR 31 6.044 5.017 4.947
193 HB2 TYR 31 HB2 TYR 31 6.609 3.838 7.677
194 HB3 TYR 31 HB3 TYR 31 7.573 3.536 6.234
195 HD1 TYR 31 HD1 TYR 31 6.526 6.158 8.651
196 HD2 TYR 31 HD2 TYR 31 9.236 5.093 5.559
197 HE1 TYR 31 HE1 TYR 31 7.874 8.143 9.157
198 HE2 TYR 31 HE2 TYR 31 10.593 7.071 6.054
199 HH TYR 31 HH TYR 31 10.345 9.196 7.030
200 H TYR 32 H TYR 32 3.603 3.546 6.940
201 HA TYR 32 HA TYR 32 3.722 1.105 5.324
202 HB2 TYR 32 HB2 TYR 32 3.702 0.766 7.860
203 HB3 TYR 32 HB3 TYR 32 2.104 1.477 7.838
204 HD1 TYR 32 HD1 TYR 32 0.246 0.075 7.728
205 HD2 TYR 32 HD2 TYR 32 3.964 -1.257 6.116
206 HE1 TYR 32 HE1 TYR 32 -0.752 -2.112 7.208
207 HE2 TYR 32 HE2 TYR 32 2.966 -3.433 5.602
208 HH TYR 32 HH TYR 32 -0.418 -4.000 5.789
209 H SER 33 H SER 33 2.446 1.124 3.641
210 HA SER 33 HA SER 33 -0.265 2.181 3.965
211 HB2 SER 33 HB2 SER 33 1.412 2.177 1.445
212 HB3 SER 33 HB3 SER 33 -0.192 2.896 1.652
213 HG SER 33 HG SER 33 1.715 4.284 1.757
214 H GLN 34 H GLN 34 -1.855 0.809 3.079
215 HA GLN 34 HA GLN 34 -0.831 -1.710 2.000
216 HB2 GLN 34 HB2 GLN 34 -1.254 -1.903 4.472
217 HB3 GLN 34 HB3 GLN 34 -2.945 -1.537 4.152
218 HG2 GLN 34 HG2 GLN 34 -3.193 -3.522 2.864
219 HG3 GLN 34 HG3 GLN 34 -1.470 -3.899 3.008
220 HE21 GLN 34 HE21 GLN 34 -1.727 -5.842 4.060
221 HE22 GLN 34 HE22 GLN 34 -2.408 -5.966 5.631
222 H CYS 35 H CYS 35 -2.229 -2.744 0.615
223 HA CYS 35 HA CYS 35 -4.246 -1.041 -0.598
224 HB2 CYS 35 HB2 CYS 35 -3.292 -3.790 -1.400
225 HB3 CYS 35 HB3 CYS 35 -4.295 -2.711 -2.365
226 H LEU 36 H LEU 36 -6.150 -1.075 0.401
227 HA LEU 36 HA LEU 36 -7.257 -3.680 1.112
228 HB2 LEU 36 HB2 LEU 36 -7.895 -0.985 2.347
229 HB3 LEU 36 HB3 LEU 36 -8.782 -2.451 2.678
230 HG LEU 36 HG LEU 36 -7.418 -2.163 4.535
231 HD11 LEU 36 HD11 LEU 36 -7.363 -4.420 3.852
232 HD12 LEU 36 HD12 LEU 36 -5.815 -3.969 4.560
233 HD13 LEU 36 HD13 LEU 36 -5.970 -4.133 2.816
234 HD21 LEU 36 HD21 LEU 36 -5.974 -0.415 3.705
235 HD22 LEU 36 HD22 LEU 36 -5.086 -1.589 2.733
236 HD23 LEU 36 HD23 LEU 36 -5.038 -1.683 4.496
Start of MODEL 11
1 H1 THR 1 H1 THR 1 3.358 -4.178 -9.281
2 H2 THR 1 H2 THR 1 2.507 -3.842 -10.722
3 H3 THR 1 H3 THR 1 2.259 -5.296 -9.912
4 HA THR 1 HA THR 1 1.554 -2.653 -8.883
5 HB THR 1 HB THR 1 -0.292 -4.818 -9.869
6 HG1 THR 1 HG1 THR 1 -0.284 -3.614 -11.881
7 HG21 THR 1 HG21 THR 1 -1.244 -3.028 -8.532
8 HG22 THR 1 HG22 THR 1 -1.763 -2.811 -10.216
9 HG23 THR 1 HG23 THR 1 -0.442 -1.839 -9.541
10 H GLN 2 H GLN 2 0.389 -2.832 -6.829
11 HA GLN 2 HA GLN 2 1.370 -5.095 -5.315
12 HB2 GLN 2 HB2 GLN 2 1.765 -2.757 -4.597
13 HB3 GLN 2 HB3 GLN 2 0.039 -2.553 -4.405
14 HG2 GLN 2 HG2 GLN 2 1.208 -2.905 -2.278
15 HG3 GLN 2 HG3 GLN 2 -0.001 -4.135 -2.605
16 HE21 GLN 2 HE21 GLN 2 0.618 -6.228 -2.694
17 HE22 GLN 2 HE22 GLN 2 2.233 -6.754 -2.423
18 H SER 3 H SER 3 0.170 -6.656 -4.583
19 HA SER 3 HA SER 3 -2.515 -7.009 -5.364
20 HB2 SER 3 HB2 SER 3 -2.174 -9.114 -3.950
21 HB3 SER 3 HB3 SER 3 -1.114 -8.884 -5.347
22 HG SER 3 HG SER 3 0.532 -8.667 -4.080
23 H HIS 4 H HIS 4 -4.085 -7.962 -3.649
24 HA HIS 4 HA HIS 4 -4.838 -5.849 -1.914
25 HB2 HIS 4 HB2 HIS 4 -6.368 -7.524 -3.111
26 HB3 HIS 4 HB3 HIS 4 -5.898 -8.683 -1.880
27 HD1 HIS 4 HD1 HIS 4 -8.475 -8.764 -1.232
28 HD2 HIS 4 HD2 HIS 4 -6.620 -5.111 -0.597
29 HE1 HIS 4 HE1 HIS 4 -10.075 -7.429 0.145
30 HE2 HIS 4 HE2 HIS 4 -9.074 -5.122 0.120
31 H TYR 5 H TYR 5 -4.405 -5.544 0.177
32 HA TYR 5 HA TYR 5 -3.666 -5.717 2.225
33 HB2 TYR 5 HB2 TYR 5 -3.539 -8.704 1.772
34 HB3 TYR 5 HB3 TYR 5 -3.140 -7.937 3.304
35 HD1 TYR 5 HD1 TYR 5 -4.920 -6.740 4.569
36 HD2 TYR 5 HD2 TYR 5 -5.776 -9.043 1.116
37 HE1 TYR 5 HE1 TYR 5 -7.296 -6.803 5.206
38 HE2 TYR 5 HE2 TYR 5 -8.138 -9.104 1.729
39 HH TYR 5 HH TYR 5 -9.443 -8.942 3.806
40 H GLY 6 H GLY 6 -1.911 -5.874 -0.334
41 HA2 GLY 6 HA2 GLY 6 0.621 -6.406 0.988
42 HA3 GLY 6 HA3 GLY 6 0.391 -5.959 -0.703
43 H GLN 7 H GLN 7 2.321 -4.719 0.828
44 HA GLN 7 HA GLN 7 1.272 -2.197 1.769
45 HB2 GLN 7 HB2 GLN 7 3.190 -3.178 2.901
46 HB3 GLN 7 HB3 GLN 7 4.112 -3.184 1.397
47 HG2 GLN 7 HG2 GLN 7 3.969 -0.688 1.396
48 HG3 GLN 7 HG3 GLN 7 3.135 -0.768 2.942
49 HE21 GLN 7 HE21 GLN 7 5.580 0.564 2.284
50 HE22 GLN 7 HE22 GLN 7 6.806 -0.074 3.303
51 H CYS 8 H CYS 8 0.477 -0.952 0.169
52 HA CYS 8 HA CYS 8 1.445 -0.883 -2.477
53 HB2 CYS 8 HB2 CYS 8 0.370 1.461 -2.405
54 HB3 CYS 8 HB3 CYS 8 -0.706 0.028 -2.353
55 H GLY 9 H GLY 9 1.927 1.437 0.118
56 HA2 GLY 9 HA2 GLY 9 4.543 1.750 -0.201
57 HA3 GLY 9 HA3 GLY 9 3.896 2.686 -1.541
58 H GLY 10 H GLY 10 4.851 2.684 1.563
59 HA2 GLY 10 HA2 GLY 10 3.521 5.200 2.053
60 HA3 GLY 10 HA3 GLY 10 4.395 4.233 3.245
61 H ILE 11 H ILE 11 5.765 6.188 3.592
62 HA ILE 11 HA ILE 11 7.623 6.989 1.608
63 HB ILE 11 HB ILE 11 7.971 7.030 4.626
64 HG12 ILE 11 HG12 ILE 11 6.936 9.211 2.806
65 HG13 ILE 11 HG13 ILE 11 5.921 8.192 3.820
66 HG21 ILE 11 HG21 ILE 11 9.571 8.855 4.193
67 HG22 ILE 11 HG22 ILE 11 9.346 8.633 2.457
68 HG23 ILE 11 HG23 ILE 11 10.079 7.352 3.422
69 HD11 ILE 11 HD11 ILE 11 7.070 9.061 5.799
70 HD12 ILE 11 HD12 ILE 11 6.277 10.327 4.867
71 HD13 ILE 11 HD13 ILE 11 8.027 10.114 4.756
72 H GLY 12 H GLY 12 9.379 5.934 0.858
73 HA2 GLY 12 HA2 GLY 12 11.394 4.716 1.246
74 HA3 GLY 12 HA3 GLY 12 10.568 3.830 2.524
75 H TYR 13 H TYR 13 8.293 3.972 0.308
76 HA TYR 13 HA TYR 13 9.183 1.485 -0.978
77 HB2 TYR 13 HB2 TYR 13 7.214 1.420 0.691
78 HB3 TYR 13 HB3 TYR 13 6.347 2.356 -0.523
79 HD1 TYR 13 HD1 TYR 13 6.462 1.225 -2.982
80 HD2 TYR 13 HD2 TYR 13 6.878 -0.853 0.695
81 HE1 TYR 13 HE1 TYR 13 5.804 -0.849 -4.089
82 HE2 TYR 13 HE2 TYR 13 6.220 -2.941 -0.409
83 HH TYR 13 HH TYR 13 4.753 -3.473 -2.582
84 H SER 14 H SER 14 9.552 1.796 -3.073
85 HA SER 14 HA SER 14 8.100 3.938 -4.438
86 HB2 SER 14 HB2 SER 14 10.291 4.180 -5.752
87 HB3 SER 14 HB3 SER 14 10.242 4.793 -4.096
88 HG SER 14 HG SER 14 12.023 3.191 -4.993
89 H GLY 15 H GLY 15 8.308 0.701 -4.346
90 HA2 GLY 15 HA2 GLY 15 8.630 0.117 -7.182
91 HA3 GLY 15 HA3 GLY 15 8.285 -1.015 -5.889
92 HA PRO 16 HA PRO 16 4.142 -1.079 -7.791
93 HB2 PRO 16 HB2 PRO 16 3.711 -3.028 -5.627
94 HB3 PRO 16 HB3 PRO 16 3.512 -3.234 -7.369
95 HG2 PRO 16 HG2 PRO 16 5.527 -4.415 -6.097
96 HG3 PRO 16 HG3 PRO 16 5.754 -3.688 -7.704
97 HD2 PRO 16 HD2 PRO 16 6.485 -2.591 -5.019
98 HD3 PRO 16 HD3 PRO 16 7.432 -2.658 -6.523
99 H THR 17 H THR 17 4.024 1.084 -6.844
100 HA THR 17 HA THR 17 2.877 1.285 -4.241
101 HB THR 17 HB THR 17 2.811 3.760 -4.904
102 HG1 THR 17 HG1 THR 17 4.657 3.777 -6.693
103 HG21 THR 17 HG21 THR 17 5.228 3.986 -4.519
104 HG22 THR 17 HG22 THR 17 5.449 2.292 -4.947
105 HG23 THR 17 HG23 THR 17 4.555 2.717 -3.491
106 H VAL 18 H VAL 18 1.813 1.073 -7.468
107 HA VAL 18 HA VAL 18 -0.828 2.099 -6.904
108 HB VAL 18 HB VAL 18 0.156 0.545 -9.327
109 HG11 VAL 18 HG11 VAL 18 -2.339 2.212 -8.953
110 HG12 VAL 18 HG12 VAL 18 -2.278 0.456 -9.099
111 HG13 VAL 18 HG13 VAL 18 -1.825 1.473 -10.468
112 HG21 VAL 18 HG21 VAL 18 -0.157 3.520 -8.955
113 HG22 VAL 18 HG22 VAL 18 0.288 2.712 -10.460
114 HG23 VAL 18 HG23 VAL 18 1.367 2.643 -9.065
115 H CYS 19 H CYS 19 -2.487 0.905 -6.207
116 HA CYS 19 HA CYS 19 -2.032 -1.873 -5.589
117 HB2 CYS 19 HB2 CYS 19 -4.403 -0.078 -5.083
118 HB3 CYS 19 HB3 CYS 19 -4.236 -1.730 -4.495
119 H ALA 20 H ALA 20 -3.373 -3.545 -6.261
120 HA ALA 20 HA ALA 20 -4.020 -3.705 -8.950
121 HB1 ALA 20 HB1 ALA 20 -5.137 -5.794 -8.363
122 HB2 ALA 20 HB2 ALA 20 -5.118 -5.334 -6.662
123 HB3 ALA 20 HB3 ALA 20 -3.603 -5.639 -7.513
124 H SER 21 H SER 21 -6.002 -3.748 -10.046
125 HA SER 21 HA SER 21 -7.720 -1.650 -9.553
126 HB2 SER 21 HB2 SER 21 -8.325 -4.121 -11.170
127 HB3 SER 21 HB3 SER 21 -9.004 -2.503 -11.390
128 HG SER 21 HG SER 21 -6.590 -1.967 -11.512
129 H GLY 22 H GLY 22 -9.187 -1.405 -8.011
130 HA2 GLY 22 HA2 GLY 22 -11.333 -2.082 -7.137
131 HA3 GLY 22 HA3 GLY 22 -10.755 -3.748 -7.159
132 H THR 23 H THR 23 -8.152 -2.129 -6.133
133 HA THR 23 HA THR 23 -9.062 -2.154 -3.351
134 HB THR 23 HB THR 23 -6.777 -2.864 -2.664
135 HG1 THR 23 HG1 THR 23 -6.346 -2.846 -5.468
136 HG21 THR 23 HG21 THR 23 -8.026 -4.712 -4.705
137 HG22 THR 23 HG22 THR 23 -8.473 -4.591 -3.002
138 HG23 THR 23 HG23 THR 23 -6.884 -5.185 -3.448
139 H THR 24 H THR 24 -7.979 -0.604 -1.944
140 HA THR 24 HA THR 24 -7.019 1.687 -3.504
141 HB THR 24 HB THR 24 -7.932 3.105 -1.682
142 HG1 THR 24 HG1 THR 24 -8.765 0.568 -0.694
143 HG21 THR 24 HG21 THR 24 -9.222 2.773 -3.713
144 HG22 THR 24 HG22 THR 24 -10.305 2.862 -2.319
145 HG23 THR 24 HG23 THR 24 -9.924 1.297 -3.048
146 H CYS 25 H CYS 25 -5.196 2.767 -2.784
147 HA CYS 25 HA CYS 25 -3.649 1.359 -0.825
148 HB2 CYS 25 HB2 CYS 25 -2.442 2.217 -2.768
149 HB3 CYS 25 HB3 CYS 25 -2.983 3.854 -2.411
150 H GLN 26 H GLN 26 -3.986 1.708 1.203
151 HA GLN 26 HA GLN 26 -4.824 4.385 2.049
152 HB2 GLN 26 HB2 GLN 26 -5.205 1.701 3.384
153 HB3 GLN 26 HB3 GLN 26 -5.752 3.243 4.030
154 HG2 GLN 26 HG2 GLN 26 -7.264 3.543 2.178
155 HG3 GLN 26 HG3 GLN 26 -6.656 2.083 1.404
156 HE21 GLN 26 HE21 GLN 26 -8.699 1.185 1.341
157 HE22 GLN 26 HE22 GLN 26 -9.486 0.587 2.749
158 H VAL 27 H VAL 27 -3.205 5.514 2.845
159 HA VAL 27 HA VAL 27 -0.874 4.187 3.866
160 HB VAL 27 HB VAL 27 -1.463 7.190 3.721
161 HG11 VAL 27 HG11 VAL 27 1.138 5.791 4.116
162 HG12 VAL 27 HG12 VAL 27 0.242 6.705 5.328
163 HG13 VAL 27 HG13 VAL 27 0.902 7.527 3.911
164 HG21 VAL 27 HG21 VAL 27 -0.096 7.205 1.701
165 HG22 VAL 27 HG22 VAL 27 -1.519 6.176 1.504
166 HG23 VAL 27 HG23 VAL 27 0.061 5.450 1.795
167 H LEU 28 H LEU 28 -1.001 3.374 5.765
168 HA LEU 28 HA LEU 28 -2.907 4.289 7.757
169 HB2 LEU 28 HB2 LEU 28 -0.889 2.037 7.814
170 HB3 LEU 28 HB3 LEU 28 -2.168 2.285 8.985
171 HG LEU 28 HG LEU 28 -2.637 1.664 6.060
172 HD11 LEU 28 HD11 LEU 28 -2.827 -0.135 8.465
173 HD12 LEU 28 HD12 LEU 28 -1.608 -0.222 7.192
174 HD13 LEU 28 HD13 LEU 28 -3.297 -0.553 6.816
175 HD21 LEU 28 HD21 LEU 28 -4.455 2.904 7.078
176 HD22 LEU 28 HD22 LEU 28 -4.478 1.755 8.423
177 HD23 LEU 28 HD23 LEU 28 -4.925 1.219 6.801
178 H ASN 29 H ASN 29 0.528 3.686 7.544
179 HA ASN 29 HA ASN 29 1.045 5.777 9.550
180 HB2 ASN 29 HB2 ASN 29 2.684 3.295 8.876
181 HB3 ASN 29 HB3 ASN 29 3.230 4.587 9.925
182 HD21 ASN 29 HD21 ASN 29 2.899 1.805 10.490
183 HD22 ASN 29 HD22 ASN 29 1.797 1.690 11.801
184 HA PRO 30 HA PRO 30 3.022 7.930 6.291
185 HB2 PRO 30 HB2 PRO 30 5.658 7.910 7.583
186 HB3 PRO 30 HB3 PRO 30 4.677 9.287 7.083
187 HG2 PRO 30 HG2 PRO 30 4.949 8.647 9.681
188 HG3 PRO 30 HG3 PRO 30 3.430 9.292 9.037
189 HD2 PRO 30 HD2 PRO 30 4.146 6.509 9.783
190 HD3 PRO 30 HD3 PRO 30 2.595 7.357 9.946
191 H TYR 31 H TYR 31 4.870 5.242 7.568
192 HA TYR 31 HA TYR 31 6.152 4.879 4.960
193 HB2 TYR 31 HB2 TYR 31 6.752 3.550 7.612
194 HB3 TYR 31 HB3 TYR 31 7.684 3.370 6.134
195 HD1 TYR 31 HD1 TYR 31 6.696 5.825 8.758
196 HD2 TYR 31 HD2 TYR 31 9.382 4.942 5.578
197 HE1 TYR 31 HE1 TYR 31 8.087 7.726 9.416
198 HE2 TYR 31 HE2 TYR 31 10.777 6.859 6.230
199 HH TYR 31 HH TYR 31 10.392 8.410 9.191
200 H TYR 32 H TYR 32 3.734 3.516 7.047
201 HA TYR 32 HA TYR 32 3.728 1.065 5.440
202 HB2 TYR 32 HB2 TYR 32 3.876 0.701 7.906
203 HB3 TYR 32 HB3 TYR 32 2.306 1.477 8.069
204 HD1 TYR 32 HD1 TYR 32 3.884 -1.275 6.121
205 HD2 TYR 32 HD2 TYR 32 0.409 0.093 8.180
206 HE1 TYR 32 HE1 TYR 32 2.817 -3.449 5.741
207 HE2 TYR 32 HE2 TYR 32 -0.658 -2.083 7.810
208 HH TYR 32 HH TYR 32 -0.508 -4.004 6.312
209 H SER 33 H SER 33 2.395 1.050 3.857
210 HA SER 33 HA SER 33 -0.289 2.167 4.215
211 HB2 SER 33 HB2 SER 33 1.360 2.185 1.685
212 HB3 SER 33 HB3 SER 33 -0.215 2.952 1.934
213 HG SER 33 HG SER 33 1.695 4.327 2.070
214 H GLN 34 H GLN 34 -1.899 0.852 3.142
215 HA GLN 34 HA GLN 34 -0.853 -1.659 2.076
216 HB2 GLN 34 HB2 GLN 34 -1.338 -1.865 4.546
217 HB3 GLN 34 HB3 GLN 34 -3.022 -1.527 4.175
218 HG2 GLN 34 HG2 GLN 34 -3.236 -3.537 2.943
219 HG3 GLN 34 HG3 GLN 34 -1.502 -3.865 3.040
220 HE21 GLN 34 HE21 GLN 34 -1.714 -5.832 4.112
221 HE22 GLN 34 HE22 GLN 34 -2.321 -5.939 5.724
222 H CYS 35 H CYS 35 -2.197 -2.673 0.624
223 HA CYS 35 HA CYS 35 -4.190 -0.974 -0.623
224 HB2 CYS 35 HB2 CYS 35 -3.141 -3.691 -1.419
225 HB3 CYS 35 HB3 CYS 35 -4.251 -2.716 -2.372
226 H LEU 36 H LEU 36 -6.101 -1.004 0.308
227 HA LEU 36 HA LEU 36 -7.241 -3.608 0.956
228 HB2 LEU 36 HB2 LEU 36 -7.949 -0.925 2.173
229 HB3 LEU 36 HB3 LEU 36 -8.810 -2.414 2.480
230 HG LEU 36 HG LEU 36 -7.515 -2.111 4.376
231 HD11 LEU 36 HD11 LEU 36 -5.916 -3.965 2.690
232 HD12 LEU 36 HD12 LEU 36 -7.345 -4.347 3.650
233 HD13 LEU 36 HD13 LEU 36 -5.856 -3.845 4.447
234 HD21 LEU 36 HD21 LEU 36 -5.155 -1.530 4.429
235 HD22 LEU 36 HD22 LEU 36 -6.112 -0.292 3.614
236 HD23 LEU 36 HD23 LEU 36 -5.141 -1.422 2.668
Start of MODEL 12
1 H1 THR 1 H1 THR 1 3.459 -4.349 -9.443
2 H2 THR 1 H2 THR 1 2.433 -4.176 -10.811
3 H3 THR 1 H3 THR 1 2.317 -5.539 -9.825
4 HA THR 1 HA THR 1 1.703 -2.817 -8.965
5 HB THR 1 HB THR 1 -0.254 -5.032 -9.567
6 HG1 THR 1 HG1 THR 1 -0.333 -3.525 -11.641
7 HG21 THR 1 HG21 THR 1 -1.025 -3.057 -8.351
8 HG22 THR 1 HG22 THR 1 -1.726 -3.055 -9.981
9 HG23 THR 1 HG23 THR 1 -0.334 -2.027 -9.590
10 H GLN 2 H GLN 2 0.215 -3.108 -6.873
11 HA GLN 2 HA GLN 2 1.389 -5.283 -5.278
12 HB2 GLN 2 HB2 GLN 2 1.671 -2.888 -4.519
13 HB3 GLN 2 HB3 GLN 2 -0.075 -2.841 -4.279
14 HG2 GLN 2 HG2 GLN 2 0.963 -3.335 -2.190
15 HG3 GLN 2 HG3 GLN 2 0.124 -4.777 -2.762
16 HE21 GLN 2 HE21 GLN 2 1.310 -6.334 -1.866
17 HE22 GLN 2 HE22 GLN 2 3.002 -6.572 -2.063
18 H SER 3 H SER 3 0.184 -6.840 -4.460
19 HA SER 3 HA SER 3 -2.476 -7.222 -5.322
20 HB2 SER 3 HB2 SER 3 -0.858 -8.709 -3.259
21 HB3 SER 3 HB3 SER 3 -2.288 -9.310 -4.094
22 HG SER 3 HG SER 3 -1.176 -9.238 -6.016
23 H HIS 4 H HIS 4 -4.214 -7.830 -3.792
24 HA HIS 4 HA HIS 4 -4.982 -5.773 -2.040
25 HB2 HIS 4 HB2 HIS 4 -6.488 -7.402 -3.252
26 HB3 HIS 4 HB3 HIS 4 -6.002 -8.636 -2.111
27 HD1 HIS 4 HD1 HIS 4 -8.722 -8.703 -1.735
28 HD2 HIS 4 HD2 HIS 4 -6.752 -5.327 -0.317
29 HE1 HIS 4 HE1 HIS 4 -10.323 -7.591 -0.182
30 HE2 HIS 4 HE2 HIS 4 -9.161 -5.503 0.581
31 H TYR 5 H TYR 5 -4.666 -5.457 0.103
32 HA TYR 5 HA TYR 5 -4.031 -5.636 2.201
33 HB2 TYR 5 HB2 TYR 5 -3.853 -8.619 1.718
34 HB3 TYR 5 HB3 TYR 5 -3.509 -7.871 3.269
35 HD1 TYR 5 HD1 TYR 5 -6.032 -9.156 1.087
36 HD2 TYR 5 HD2 TYR 5 -5.393 -6.573 4.405
37 HE1 TYR 5 HE1 TYR 5 -8.411 -9.296 1.647
38 HE2 TYR 5 HE2 TYR 5 -7.775 -6.712 4.979
39 HH TYR 5 HH TYR 5 -9.822 -9.039 3.582
40 H GLY 6 H GLY 6 -2.166 -5.764 -0.274
41 HA2 GLY 6 HA2 GLY 6 0.308 -6.353 1.142
42 HA3 GLY 6 HA3 GLY 6 0.119 -6.004 -0.579
43 H GLN 7 H GLN 7 2.086 -4.763 0.697
44 HA GLN 7 HA GLN 7 1.168 -2.168 1.612
45 HB2 GLN 7 HB2 GLN 7 3.032 -3.251 2.796
46 HB3 GLN 7 HB3 GLN 7 3.972 -3.264 1.310
47 HG2 GLN 7 HG2 GLN 7 3.896 -0.814 1.247
48 HG3 GLN 7 HG3 GLN 7 3.001 -0.814 2.758
49 HE21 GLN 7 HE21 GLN 7 5.518 0.382 2.110
50 HE22 GLN 7 HE22 GLN 7 6.683 -0.248 3.217
51 H CYS 8 H CYS 8 0.493 -0.883 0.005
52 HA CYS 8 HA CYS 8 1.695 -0.777 -2.573
53 HB2 CYS 8 HB2 CYS 8 0.595 1.546 -2.585
54 HB3 CYS 8 HB3 CYS 8 -0.499 0.137 -2.540
55 H GLY 9 H GLY 9 2.219 0.766 0.447
56 HA2 GLY 9 HA2 GLY 9 4.603 1.212 0.815
57 HA3 GLY 9 HA3 GLY 9 4.587 1.883 -0.804
58 H GLY 10 H GLY 10 4.802 2.633 2.257
59 HA2 GLY 10 HA2 GLY 10 3.457 5.174 2.116
60 HA3 GLY 10 HA3 GLY 10 4.380 4.488 3.441
61 H ILE 11 H ILE 11 5.607 6.508 3.457
62 HA ILE 11 HA ILE 11 7.398 7.294 1.434
63 HB ILE 11 HB ILE 11 7.857 7.388 4.439
64 HG12 ILE 11 HG12 ILE 11 6.597 9.490 2.659
65 HG13 ILE 11 HG13 ILE 11 5.716 8.436 3.755
66 HG21 ILE 11 HG21 ILE 11 9.058 9.038 2.219
67 HG22 ILE 11 HG22 ILE 11 9.881 7.805 3.181
68 HG23 ILE 11 HG23 ILE 11 9.323 9.294 3.946
69 HD11 ILE 11 HD11 ILE 11 6.883 9.428 5.653
70 HD12 ILE 11 HD12 ILE 11 6.027 10.648 4.709
71 HD13 ILE 11 HD13 ILE 11 7.776 10.477 4.551
72 H GLY 12 H GLY 12 9.193 6.340 0.624
73 HA2 GLY 12 HA2 GLY 12 11.324 5.304 1.051
74 HA3 GLY 12 HA3 GLY 12 10.540 4.362 2.316
75 H TYR 13 H TYR 13 8.238 4.001 0.430
76 HA TYR 13 HA TYR 13 9.417 1.676 -0.941
77 HB2 TYR 13 HB2 TYR 13 7.608 1.325 0.775
78 HB3 TYR 13 HB3 TYR 13 6.527 2.255 -0.240
79 HD1 TYR 13 HD1 TYR 13 7.454 -0.956 0.710
80 HD2 TYR 13 HD2 TYR 13 6.358 1.240 -2.759
81 HE1 TYR 13 HE1 TYR 13 6.732 -3.041 -0.378
82 HE2 TYR 13 HE2 TYR 13 5.637 -0.828 -3.849
83 HH TYR 13 HH TYR 13 4.895 -3.502 -2.403
84 H SER 14 H SER 14 9.797 2.093 -3.041
85 HA SER 14 HA SER 14 8.002 3.970 -4.389
86 HB2 SER 14 HB2 SER 14 10.106 4.425 -5.806
87 HB3 SER 14 HB3 SER 14 9.991 5.147 -4.198
88 HG SER 14 HG SER 14 11.649 4.076 -3.635
89 H GLY 15 H GLY 15 8.390 0.861 -4.238
90 HA2 GLY 15 HA2 GLY 15 8.677 0.183 -7.051
91 HA3 GLY 15 HA3 GLY 15 8.340 -0.906 -5.717
92 HA PRO 16 HA PRO 16 4.181 -1.049 -7.621
93 HB2 PRO 16 HB2 PRO 16 3.801 -2.861 -5.310
94 HB3 PRO 16 HB3 PRO 16 3.495 -3.151 -7.029
95 HG2 PRO 16 HG2 PRO 16 5.573 -4.307 -5.858
96 HG3 PRO 16 HG3 PRO 16 5.740 -3.591 -7.479
97 HD2 PRO 16 HD2 PRO 16 6.565 -2.464 -4.834
98 HD3 PRO 16 HD3 PRO 16 7.466 -2.560 -6.362
99 H THR 17 H THR 17 4.058 1.182 -6.822
100 HA THR 17 HA THR 17 2.810 1.590 -4.274
101 HB THR 17 HB THR 17 2.706 3.999 -5.255
102 HG1 THR 17 HG1 THR 17 4.832 3.543 -6.813
103 HG21 THR 17 HG21 THR 17 5.078 4.355 -4.693
104 HG22 THR 17 HG22 THR 17 5.356 2.616 -4.787
105 HG23 THR 17 HG23 THR 17 4.310 3.272 -3.532
106 H VAL 18 H VAL 18 1.858 0.906 -7.415
107 HA VAL 18 HA VAL 18 -0.818 2.017 -7.126
108 HB VAL 18 HB VAL 18 0.348 0.354 -9.396
109 HG11 VAL 18 HG11 VAL 18 -1.557 1.156 -10.716
110 HG12 VAL 18 HG12 VAL 18 -2.190 1.988 -9.298
111 HG13 VAL 18 HG13 VAL 18 -2.091 0.226 -9.312
112 HG21 VAL 18 HG21 VAL 18 0.520 2.464 -10.639
113 HG22 VAL 18 HG22 VAL 18 1.505 2.486 -9.174
114 HG23 VAL 18 HG23 VAL 18 -0.037 3.341 -9.214
115 H CYS 19 H CYS 19 -2.534 0.795 -6.570
116 HA CYS 19 HA CYS 19 -1.995 -1.939 -5.732
117 HB2 CYS 19 HB2 CYS 19 -4.377 -0.149 -5.262
118 HB3 CYS 19 HB3 CYS 19 -4.155 -1.752 -4.571
119 H ALA 20 H ALA 20 -3.487 -3.647 -6.272
120 HA ALA 20 HA ALA 20 -4.163 -3.796 -8.992
121 HB1 ALA 20 HB1 ALA 20 -5.159 -5.498 -6.702
122 HB2 ALA 20 HB2 ALA 20 -3.673 -5.767 -7.616
123 HB3 ALA 20 HB3 ALA 20 -5.237 -5.920 -8.415
124 H SER 21 H SER 21 -6.313 -4.140 -9.909
125 HA SER 21 HA SER 21 -8.021 -2.024 -9.540
126 HB2 SER 21 HB2 SER 21 -8.655 -4.727 -10.715
127 HB3 SER 21 HB3 SER 21 -9.490 -3.206 -11.056
128 HG SER 21 HG SER 21 -8.104 -3.162 -12.613
129 H GLY 22 H GLY 22 -9.424 -1.568 -8.014
130 HA2 GLY 22 HA2 GLY 22 -11.423 -2.083 -6.822
131 HA3 GLY 22 HA3 GLY 22 -10.862 -3.743 -6.674
132 H THR 23 H THR 23 -8.115 -2.394 -6.035
133 HA THR 23 HA THR 23 -8.797 -2.134 -3.197
134 HB THR 23 HB THR 23 -6.503 -2.882 -2.663
135 HG1 THR 23 HG1 THR 23 -6.222 -2.798 -5.486
136 HG21 THR 23 HG21 THR 23 -8.230 -4.579 -2.894
137 HG22 THR 23 HG22 THR 23 -6.682 -5.194 -3.457
138 HG23 THR 23 HG23 THR 23 -7.908 -4.691 -4.624
139 H THR 24 H THR 24 -7.962 -0.483 -1.961
140 HA THR 24 HA THR 24 -6.935 1.790 -3.509
141 HB THR 24 HB THR 24 -7.833 3.143 -1.550
142 HG1 THR 24 HG1 THR 24 -8.757 0.561 -0.820
143 HG21 THR 24 HG21 THR 24 -8.937 3.074 -3.716
144 HG22 THR 24 HG22 THR 24 -10.135 3.114 -2.421
145 HG23 THR 24 HG23 THR 24 -9.780 1.596 -3.257
146 H CYS 25 H CYS 25 -5.071 2.787 -2.902
147 HA CYS 25 HA CYS 25 -3.479 1.496 -0.900
148 HB2 CYS 25 HB2 CYS 25 -2.355 2.309 -2.930
149 HB3 CYS 25 HB3 CYS 25 -2.887 3.952 -2.581
150 H GLN 26 H GLN 26 -3.897 1.894 1.107
151 HA GLN 26 HA GLN 26 -4.603 4.631 1.868
152 HB2 GLN 26 HB2 GLN 26 -5.266 2.046 3.279
153 HB3 GLN 26 HB3 GLN 26 -5.740 3.653 3.809
154 HG2 GLN 26 HG2 GLN 26 -7.073 3.927 1.765
155 HG3 GLN 26 HG3 GLN 26 -6.625 2.302 1.262
156 HE21 GLN 26 HE21 GLN 26 -8.746 1.632 1.241
157 HE22 GLN 26 HE22 GLN 26 -9.624 1.317 2.696
158 H VAL 27 H VAL 27 -3.037 5.640 2.828
159 HA VAL 27 HA VAL 27 -0.755 4.277 3.874
160 HB VAL 27 HB VAL 27 -1.440 7.255 4.020
161 HG11 VAL 27 HG11 VAL 27 1.183 5.892 4.330
162 HG12 VAL 27 HG12 VAL 27 0.239 6.678 5.595
163 HG13 VAL 27 HG13 VAL 27 0.915 7.635 4.271
164 HG21 VAL 27 HG21 VAL 27 -1.426 6.526 1.696
165 HG22 VAL 27 HG22 VAL 27 0.159 5.793 1.929
166 HG23 VAL 27 HG23 VAL 27 -0.029 7.545 2.045
167 H LEU 28 H LEU 28 -0.962 3.278 5.735
168 HA LEU 28 HA LEU 28 -2.942 4.113 7.719
169 HB2 LEU 28 HB2 LEU 28 -1.028 1.778 7.781
170 HB3 LEU 28 HB3 LEU 28 -2.409 2.019 8.825
171 HG LEU 28 HG LEU 28 -2.512 1.448 5.862
172 HD11 LEU 28 HD11 LEU 28 -3.263 -0.247 8.228
173 HD12 LEU 28 HD12 LEU 28 -1.833 -0.446 7.219
174 HD13 LEU 28 HD13 LEU 28 -3.440 -0.687 6.526
175 HD21 LEU 28 HD21 LEU 28 -4.718 1.750 7.874
176 HD22 LEU 28 HD22 LEU 28 -4.908 1.235 6.190
177 HD23 LEU 28 HD23 LEU 28 -4.347 2.873 6.558
178 H ASN 29 H ASN 29 0.457 3.674 7.303
179 HA ASN 29 HA ASN 29 1.026 5.349 9.632
180 HB2 ASN 29 HB2 ASN 29 2.648 2.955 8.653
181 HB3 ASN 29 HB3 ASN 29 3.057 4.012 9.990
182 HD21 ASN 29 HD21 ASN 29 1.076 1.420 8.933
183 HD22 ASN 29 HD22 ASN 29 0.514 0.915 10.467
184 HA PRO 30 HA PRO 30 3.023 7.742 6.559
185 HB2 PRO 30 HB2 PRO 30 5.660 7.616 7.768
186 HB3 PRO 30 HB3 PRO 30 4.650 9.032 7.487
187 HG2 PRO 30 HG2 PRO 30 5.037 8.061 9.984
188 HG3 PRO 30 HG3 PRO 30 3.504 8.801 9.492
189 HD2 PRO 30 HD2 PRO 30 4.192 5.914 9.849
190 HD3 PRO 30 HD3 PRO 30 2.678 6.758 10.178
191 H TYR 31 H TYR 31 4.880 4.952 7.606
192 HA TYR 31 HA TYR 31 6.113 4.851 4.961
193 HB2 TYR 31 HB2 TYR 31 6.900 3.356 7.474
194 HB3 TYR 31 HB3 TYR 31 7.768 3.365 5.949
195 HD1 TYR 31 HD1 TYR 31 9.173 5.196 5.319
196 HD2 TYR 31 HD2 TYR 31 6.876 5.442 8.900
197 HE1 TYR 31 HE1 TYR 31 10.457 7.166 6.014
198 HE2 TYR 31 HE2 TYR 31 8.163 7.399 9.597
199 HH TYR 31 HH TYR 31 10.404 8.371 9.143
200 H TYR 32 H TYR 32 3.820 3.214 7.006
201 HA TYR 32 HA TYR 32 3.783 0.954 5.141
202 HB2 TYR 32 HB2 TYR 32 3.945 0.311 7.562
203 HB3 TYR 32 HB3 TYR 32 2.416 1.119 7.831
204 HD1 TYR 32 HD1 TYR 32 0.309 -0.031 7.448
205 HD2 TYR 32 HD2 TYR 32 3.974 -1.695 5.992
206 HE1 TYR 32 HE1 TYR 32 -0.845 -2.126 6.871
207 HE2 TYR 32 HE2 TYR 32 2.793 -3.771 5.414
208 HH TYR 32 HH TYR 32 -0.623 -3.996 5.413
209 H SER 33 H SER 33 2.426 1.130 3.571
210 HA SER 33 HA SER 33 -0.238 2.236 4.073
211 HB2 SER 33 HB2 SER 33 1.421 2.420 1.550
212 HB3 SER 33 HB3 SER 33 -0.188 3.133 1.798
213 HG SER 33 HG SER 33 1.601 4.576 2.066
214 H GLN 34 H GLN 34 -1.887 0.959 3.184
215 HA GLN 34 HA GLN 34 -0.931 -1.580 2.053
216 HB2 GLN 34 HB2 GLN 34 -1.541 -1.735 4.480
217 HB3 GLN 34 HB3 GLN 34 -3.174 -1.251 4.049
218 HG2 GLN 34 HG2 GLN 34 -3.471 -3.263 2.756
219 HG3 GLN 34 HG3 GLN 34 -1.796 -3.739 3.058
220 HE21 GLN 34 HE21 GLN 34 -2.298 -5.641 4.111
221 HE22 GLN 34 HE22 GLN 34 -3.075 -5.681 5.640
222 H CYS 35 H CYS 35 -2.299 -2.569 0.594
223 HA CYS 35 HA CYS 35 -4.201 -0.802 -0.719
224 HB2 CYS 35 HB2 CYS 35 -3.158 -3.529 -1.519
225 HB3 CYS 35 HB3 CYS 35 -4.227 -2.527 -2.491
226 H LEU 36 H LEU 36 -6.099 -0.838 0.208
227 HA LEU 36 HA LEU 36 -7.226 -3.410 0.983
228 HB2 LEU 36 HB2 LEU 36 -8.014 -0.628 1.873
229 HB3 LEU 36 HB3 LEU 36 -8.895 -2.081 2.285
230 HG LEU 36 HG LEU 36 -7.677 -1.580 4.189
231 HD11 LEU 36 HD11 LEU 36 -6.040 -3.326 4.509
232 HD12 LEU 36 HD12 LEU 36 -6.048 -3.637 2.777
233 HD13 LEU 36 HD13 LEU 36 -7.514 -3.892 3.727
234 HD21 LEU 36 HD21 LEU 36 -5.305 -1.033 4.277
235 HD22 LEU 36 HD22 LEU 36 -6.212 0.125 3.305
236 HD23 LEU 36 HD23 LEU 36 -5.223 -1.104 2.516
Start of MODEL 13
1 H1 THR 1 H1 THR 1 2.921 -4.744 -10.770
2 H2 THR 1 H2 THR 1 2.438 -6.094 -9.860
3 H3 THR 1 H3 THR 1 3.636 -5.082 -9.271
4 HA THR 1 HA THR 1 2.061 -3.293 -9.048
5 HB THR 1 HB THR 1 -0.018 -5.307 -9.981
6 HG1 THR 1 HG1 THR 1 0.896 -3.151 -11.610
7 HG21 THR 1 HG21 THR 1 -1.384 -3.269 -10.312
8 HG22 THR 1 HG22 THR 1 -0.030 -2.303 -9.699
9 HG23 THR 1 HG23 THR 1 -0.851 -3.438 -8.634
10 H GLN 2 H GLN 2 0.489 -3.299 -7.040
11 HA GLN 2 HA GLN 2 1.302 -5.571 -5.414
12 HB2 GLN 2 HB2 GLN 2 1.745 -3.188 -4.640
13 HB3 GLN 2 HB3 GLN 2 0.002 -3.025 -4.433
14 HG2 GLN 2 HG2 GLN 2 0.996 -3.621 -2.330
15 HG3 GLN 2 HG3 GLN 2 0.028 -4.976 -2.928
16 HE21 GLN 2 HE21 GLN 2 1.083 -6.707 -2.095
17 HE22 GLN 2 HE22 GLN 2 2.740 -7.047 -2.380
18 H SER 3 H SER 3 -0.110 -6.989 -4.555
19 HA SER 3 HA SER 3 -2.796 -6.891 -5.528
20 HB2 SER 3 HB2 SER 3 -2.786 -9.215 -4.415
21 HB3 SER 3 HB3 SER 3 -1.762 -8.973 -5.831
22 HG SER 3 HG SER 3 -0.786 -10.042 -4.013
23 H HIS 4 H HIS 4 -4.405 -7.959 -3.785
24 HA HIS 4 HA HIS 4 -5.010 -5.875 -1.987
25 HB2 HIS 4 HB2 HIS 4 -6.602 -7.546 -3.110
26 HB3 HIS 4 HB3 HIS 4 -6.100 -8.690 -1.877
27 HD1 HIS 4 HD1 HIS 4 -8.846 -8.561 -1.477
28 HD2 HIS 4 HD2 HIS 4 -6.606 -5.271 -0.301
29 HE1 HIS 4 HE1 HIS 4 -10.347 -7.225 0.005
30 HE2 HIS 4 HE2 HIS 4 -9.083 -5.040 0.139
31 H TYR 5 H TYR 5 -4.497 -5.553 0.084
32 HA TYR 5 HA TYR 5 -3.841 -5.762 2.161
33 HB2 TYR 5 HB2 TYR 5 -3.669 -8.750 1.701
34 HB3 TYR 5 HB3 TYR 5 -3.389 -7.967 3.255
35 HD1 TYR 5 HD1 TYR 5 -5.327 -6.352 4.008
36 HD2 TYR 5 HD2 TYR 5 -5.785 -9.557 1.258
37 HE1 TYR 5 HE1 TYR 5 -7.732 -6.392 4.470
38 HE2 TYR 5 HE2 TYR 5 -8.196 -9.607 1.710
39 HH TYR 5 HH TYR 5 -9.744 -8.915 3.513
40 H GLY 6 H GLY 6 -1.995 -5.909 -0.341
41 HA2 GLY 6 HA2 GLY 6 0.480 -6.450 1.098
42 HA3 GLY 6 HA3 GLY 6 0.311 -6.076 -0.616
43 H GLN 7 H GLN 7 2.258 -4.768 0.591
44 HA GLN 7 HA GLN 7 1.204 -2.226 1.516
45 HB2 GLN 7 HB2 GLN 7 3.073 -3.224 2.781
46 HB3 GLN 7 HB3 GLN 7 4.059 -3.216 1.327
47 HG2 GLN 7 HG2 GLN 7 4.006 -0.802 1.246
48 HG3 GLN 7 HG3 GLN 7 2.932 -0.755 2.637
49 HE21 GLN 7 HE21 GLN 7 5.487 0.481 2.273
50 HE22 GLN 7 HE22 GLN 7 6.523 -0.084 3.512
51 H CYS 8 H CYS 8 0.570 -0.895 -0.024
52 HA CYS 8 HA CYS 8 1.744 -0.789 -2.612
53 HB2 CYS 8 HB2 CYS 8 0.574 1.524 -2.583
54 HB3 CYS 8 HB3 CYS 8 -0.456 0.066 -2.630
55 H GLY 9 H GLY 9 2.182 0.889 0.380
56 HA2 GLY 9 HA2 GLY 9 4.602 1.307 0.714
57 HA3 GLY 9 HA3 GLY 9 4.558 1.987 -0.897
58 H GLY 10 H GLY 10 5.059 2.787 2.000
59 HA2 GLY 10 HA2 GLY 10 3.588 5.270 1.930
60 HA3 GLY 10 HA3 GLY 10 4.410 4.562 3.309
61 H ILE 11 H ILE 11 5.631 6.555 3.464
62 HA ILE 11 HA ILE 11 7.563 7.403 1.635
63 HB ILE 11 HB ILE 11 7.745 7.347 4.666
64 HG12 ILE 11 HG12 ILE 11 6.792 9.569 2.851
65 HG13 ILE 11 HG13 ILE 11 5.735 8.522 3.789
66 HG21 ILE 11 HG21 ILE 11 9.239 9.041 2.664
67 HG22 ILE 11 HG22 ILE 11 9.921 7.737 3.636
68 HG23 ILE 11 HG23 ILE 11 9.336 9.209 4.417
69 HD11 ILE 11 HD11 ILE 11 6.051 10.682 4.870
70 HD12 ILE 11 HD12 ILE 11 7.795 10.404 4.910
71 HD13 ILE 11 HD13 ILE 11 6.716 9.373 5.849
72 H GLY 12 H GLY 12 9.431 6.432 0.972
73 HA2 GLY 12 HA2 GLY 12 11.459 5.236 1.446
74 HA3 GLY 12 HA3 GLY 12 10.590 4.361 2.692
75 H TYR 13 H TYR 13 8.445 4.335 0.350
76 HA TYR 13 HA TYR 13 9.463 1.845 -0.860
77 HB2 TYR 13 HB2 TYR 13 7.412 1.807 0.688
78 HB3 TYR 13 HB3 TYR 13 6.603 2.755 -0.535
79 HD1 TYR 13 HD1 TYR 13 7.120 -0.447 0.722
80 HD2 TYR 13 HD2 TYR 13 6.624 1.605 -2.965
81 HE1 TYR 13 HE1 TYR 13 6.336 -2.521 -0.323
82 HE2 TYR 13 HE2 TYR 13 5.837 -0.469 -4.012
83 HH TYR 13 HH TYR 13 4.781 -3.039 -2.356
84 H SER 14 H SER 14 9.613 1.887 -3.114
85 HA SER 14 HA SER 14 8.294 4.102 -4.514
86 HB2 SER 14 HB2 SER 14 10.426 4.326 -5.852
87 HB3 SER 14 HB3 SER 14 10.523 4.860 -4.170
88 HG SER 14 HG SER 14 11.740 3.178 -3.670
89 H GLY 15 H GLY 15 8.349 0.910 -4.278
90 HA2 GLY 15 HA2 GLY 15 8.659 0.192 -7.094
91 HA3 GLY 15 HA3 GLY 15 8.321 -0.879 -5.746
92 HA PRO 16 HA PRO 16 4.214 -0.963 -7.646
93 HB2 PRO 16 HB2 PRO 16 3.736 -2.836 -5.422
94 HB3 PRO 16 HB3 PRO 16 3.520 -3.083 -7.157
95 HG2 PRO 16 HG2 PRO 16 5.526 -4.261 -5.862
96 HG3 PRO 16 HG3 PRO 16 5.749 -3.601 -7.495
97 HD2 PRO 16 HD2 PRO 16 6.555 -2.426 -4.864
98 HD3 PRO 16 HD3 PRO 16 7.457 -2.531 -6.396
99 H THR 17 H THR 17 4.073 1.250 -6.750
100 HA THR 17 HA THR 17 2.658 1.578 -4.252
101 HB THR 17 HB THR 17 2.633 4.002 -5.072
102 HG1 THR 17 HG1 THR 17 4.672 3.585 -6.801
103 HG21 THR 17 HG21 THR 17 5.318 2.616 -4.853
104 HG22 THR 17 HG22 THR 17 4.339 3.156 -3.491
105 HG23 THR 17 HG23 THR 17 5.033 4.339 -4.602
106 H VAL 18 H VAL 18 1.829 0.364 -6.979
107 HA VAL 18 HA VAL 18 -0.738 1.711 -7.324
108 HB VAL 18 HB VAL 18 0.743 -0.204 -9.149
109 HG11 VAL 18 HG11 VAL 18 -1.650 -0.486 -9.386
110 HG12 VAL 18 HG12 VAL 18 -1.000 0.332 -10.809
111 HG13 VAL 18 HG13 VAL 18 -1.860 1.250 -9.576
112 HG21 VAL 18 HG21 VAL 18 1.033 1.720 -10.623
113 HG22 VAL 18 HG22 VAL 18 1.768 2.019 -9.049
114 HG23 VAL 18 HG23 VAL 18 0.218 2.752 -9.451
115 H CYS 19 H CYS 19 -2.280 0.737 -6.225
116 HA CYS 19 HA CYS 19 -2.116 -2.043 -5.532
117 HB2 CYS 19 HB2 CYS 19 -4.295 0.010 -5.110
118 HB3 CYS 19 HB3 CYS 19 -4.310 -1.627 -4.459
119 H ALA 20 H ALA 20 -3.500 -3.607 -6.252
120 HA ALA 20 HA ALA 20 -4.224 -3.725 -8.913
121 HB1 ALA 20 HB1 ALA 20 -5.352 -5.233 -6.566
122 HB2 ALA 20 HB2 ALA 20 -3.926 -5.686 -7.501
123 HB3 ALA 20 HB3 ALA 20 -5.523 -5.707 -8.249
124 H SER 21 H SER 21 -6.285 -3.683 -9.956
125 HA SER 21 HA SER 21 -7.869 -1.481 -9.349
126 HB2 SER 21 HB2 SER 21 -8.553 -3.865 -11.078
127 HB3 SER 21 HB3 SER 21 -9.223 -2.238 -11.204
128 HG SER 21 HG SER 21 -7.230 -1.469 -11.834
129 H GLY 22 H GLY 22 -9.365 -1.258 -7.833
130 HA2 GLY 22 HA2 GLY 22 -11.464 -1.991 -6.918
131 HA3 GLY 22 HA3 GLY 22 -10.830 -3.636 -6.933
132 H THR 23 H THR 23 -8.206 -2.072 -6.028
133 HA THR 23 HA THR 23 -9.028 -2.032 -3.222
134 HB THR 23 HB THR 23 -6.737 -2.798 -2.591
135 HG1 THR 23 HG1 THR 23 -6.409 -2.798 -5.397
136 HG21 THR 23 HG21 THR 23 -7.023 -5.143 -3.276
137 HG22 THR 23 HG22 THR 23 -8.219 -4.637 -4.470
138 HG23 THR 23 HG23 THR 23 -8.541 -4.422 -2.752
139 H THR 24 H THR 24 -8.098 -0.499 -1.879
140 HA THR 24 HA THR 24 -7.097 1.829 -3.357
141 HB THR 24 HB THR 24 -7.908 3.114 -1.349
142 HG1 THR 24 HG1 THR 24 -8.800 0.513 -0.645
143 HG21 THR 24 HG21 THR 24 -9.956 1.498 -2.869
144 HG22 THR 24 HG22 THR 24 -9.211 3.003 -3.411
145 HG23 THR 24 HG23 THR 24 -10.280 3.004 -2.005
146 H CYS 25 H CYS 25 -5.230 2.862 -2.700
147 HA CYS 25 HA CYS 25 -3.609 1.421 -0.806
148 HB2 CYS 25 HB2 CYS 25 -2.502 2.243 -2.852
149 HB3 CYS 25 HB3 CYS 25 -2.977 3.890 -2.465
150 H GLN 26 H GLN 26 -4.041 1.798 1.221
151 HA GLN 26 HA GLN 26 -4.719 4.532 2.024
152 HB2 GLN 26 HB2 GLN 26 -5.274 1.895 3.401
153 HB3 GLN 26 HB3 GLN 26 -5.727 3.476 4.024
154 HG2 GLN 26 HG2 GLN 26 -7.215 3.843 2.140
155 HG3 GLN 26 HG3 GLN 26 -6.702 2.329 1.409
156 HE21 GLN 26 HE21 GLN 26 -8.810 1.569 1.356
157 HE22 GLN 26 HE22 GLN 26 -9.639 1.031 2.765
158 H VAL 27 H VAL 27 -3.069 5.587 2.829
159 HA VAL 27 HA VAL 27 -0.739 4.231 3.805
160 HB VAL 27 HB VAL 27 -1.310 7.239 3.809
161 HG11 VAL 27 HG11 VAL 27 0.481 6.580 5.274
162 HG12 VAL 27 HG12 VAL 27 1.039 7.563 3.918
163 HG13 VAL 27 HG13 VAL 27 1.308 5.817 3.918
164 HG21 VAL 27 HG21 VAL 27 -0.066 7.346 1.713
165 HG22 VAL 27 HG22 VAL 27 -1.511 6.348 1.539
166 HG23 VAL 27 HG23 VAL 27 0.071 5.590 1.698
167 H LEU 28 H LEU 28 -1.092 3.241 5.665
168 HA LEU 28 HA LEU 28 -2.870 4.213 7.720
169 HB2 LEU 28 HB2 LEU 28 -0.953 1.894 7.689
170 HB3 LEU 28 HB3 LEU 28 -2.168 2.154 8.916
171 HG LEU 28 HG LEU 28 -2.670 1.541 5.995
172 HD11 LEU 28 HD11 LEU 28 -1.872 -0.354 7.232
173 HD12 LEU 28 HD12 LEU 28 -3.572 -0.560 6.814
174 HD13 LEU 28 HD13 LEU 28 -3.115 -0.122 8.463
175 HD21 LEU 28 HD21 LEU 28 -5.027 1.374 6.626
176 HD22 LEU 28 HD22 LEU 28 -4.395 3.008 6.863
177 HD23 LEU 28 HD23 LEU 28 -4.613 1.932 8.249
178 H ASN 29 H ASN 29 0.533 3.480 7.536
179 HA ASN 29 HA ASN 29 1.073 5.527 9.584
180 HB2 ASN 29 HB2 ASN 29 2.727 3.113 8.724
181 HB3 ASN 29 HB3 ASN 29 3.336 4.389 9.753
182 HD21 ASN 29 HD21 ASN 29 3.151 1.610 10.270
183 HD22 ASN 29 HD22 ASN 29 2.178 1.390 11.671
184 HA PRO 30 HA PRO 30 2.865 7.800 6.279
185 HB2 PRO 30 HB2 PRO 30 5.500 7.933 7.573
186 HB3 PRO 30 HB3 PRO 30 4.452 9.255 7.058
187 HG2 PRO 30 HG2 PRO 30 4.703 8.701 9.656
188 HG3 PRO 30 HG3 PRO 30 3.127 9.151 8.975
189 HD2 PRO 30 HD2 PRO 30 4.182 6.445 9.691
190 HD3 PRO 30 HD3 PRO 30 2.561 7.115 9.972
191 H TYR 31 H TYR 31 4.644 5.067 7.490
192 HA TYR 31 HA TYR 31 6.055 4.816 4.919
193 HB2 TYR 31 HB2 TYR 31 6.561 3.339 7.509
194 HB3 TYR 31 HB3 TYR 31 7.553 3.285 6.058
195 HD1 TYR 31 HD1 TYR 31 9.071 5.124 5.534
196 HD2 TYR 31 HD2 TYR 31 6.599 5.279 8.993
197 HE1 TYR 31 HE1 TYR 31 10.426 6.970 6.415
198 HE2 TYR 31 HE2 TYR 31 7.956 7.129 9.877
199 HH TYR 31 HH TYR 31 10.083 8.060 9.657
200 H TYR 32 H TYR 32 3.595 3.339 6.928
201 HA TYR 32 HA TYR 32 3.636 0.980 5.202
202 HB2 TYR 32 HB2 TYR 32 3.773 0.457 7.591
203 HB3 TYR 32 HB3 TYR 32 2.262 1.311 7.881
204 HD1 TYR 32 HD1 TYR 32 0.265 0.071 7.900
205 HD2 TYR 32 HD2 TYR 32 3.683 -1.518 5.908
206 HE1 TYR 32 HE1 TYR 32 -0.922 -2.052 7.542
207 HE2 TYR 32 HE2 TYR 32 2.482 -3.636 5.546
208 HH TYR 32 HH TYR 32 -0.897 -3.942 6.131
209 H SER 33 H SER 33 2.352 1.068 3.597
210 HA SER 33 HA SER 33 -0.321 2.206 3.949
211 HB2 SER 33 HB2 SER 33 1.387 2.270 1.451
212 HB3 SER 33 HB3 SER 33 -0.194 3.037 1.679
213 HG SER 33 HG SER 33 1.841 4.290 1.906
214 H GLN 34 H GLN 34 -1.912 0.858 3.177
215 HA GLN 34 HA GLN 34 -0.925 -1.647 2.027
216 HB2 GLN 34 HB2 GLN 34 -1.428 -1.849 4.457
217 HB3 GLN 34 HB3 GLN 34 -3.085 -1.379 4.127
218 HG2 GLN 34 HG2 GLN 34 -3.405 -3.358 2.786
219 HG3 GLN 34 HG3 GLN 34 -1.724 -3.829 3.041
220 HE21 GLN 34 HE21 GLN 34 -2.169 -5.727 4.062
221 HE22 GLN 34 HE22 GLN 34 -2.907 -5.820 5.610
222 H CYS 35 H CYS 35 -2.323 -2.679 0.629
223 HA CYS 35 HA CYS 35 -4.269 -0.946 -0.666
224 HB2 CYS 35 HB2 CYS 35 -3.270 -3.698 -1.444
225 HB3 CYS 35 HB3 CYS 35 -4.315 -2.677 -2.422
226 H LEU 36 H LEU 36 -6.175 -0.950 0.276
227 HA LEU 36 HA LEU 36 -7.277 -3.490 1.214
228 HB2 LEU 36 HB2 LEU 36 -7.942 -0.688 2.112
229 HB3 LEU 36 HB3 LEU 36 -8.857 -2.098 2.572
230 HG LEU 36 HG LEU 36 -7.578 -1.639 4.392
231 HD11 LEU 36 HD11 LEU 36 -6.040 -3.746 2.948
232 HD12 LEU 36 HD12 LEU 36 -7.502 -3.955 3.909
233 HD13 LEU 36 HD13 LEU 36 -6.000 -3.442 4.683
234 HD21 LEU 36 HD21 LEU 36 -5.161 -1.247 2.653
235 HD22 LEU 36 HD22 LEU 36 -5.186 -1.162 4.419
236 HD23 LEU 36 HD23 LEU 36 -6.094 0.011 3.461
Start of MODEL 14
1 H1 THR 1 H1 THR 1 3.392 -4.429 -9.272
2 H2 THR 1 H2 THR 1 2.596 -4.058 -10.738
3 H3 THR 1 H3 THR 1 2.263 -5.494 -9.913
4 HA THR 1 HA THR 1 1.699 -2.849 -8.835
5 HB THR 1 HB THR 1 -0.181 -4.873 -10.096
6 HG1 THR 1 HG1 THR 1 -0.281 -3.390 -11.816
7 HG21 THR 1 HG21 THR 1 -1.773 -2.981 -9.989
8 HG22 THR 1 HG22 THR 1 -0.500 -2.044 -9.166
9 HG23 THR 1 HG23 THR 1 -1.181 -3.464 -8.391
10 H GLN 2 H GLN 2 0.570 -2.993 -6.769
11 HA GLN 2 HA GLN 2 1.398 -5.361 -5.317
12 HB2 GLN 2 HB2 GLN 2 1.793 -3.026 -4.456
13 HB3 GLN 2 HB3 GLN 2 0.052 -2.883 -4.249
14 HG2 GLN 2 HG2 GLN 2 1.120 -3.511 -2.162
15 HG3 GLN 2 HG3 GLN 2 0.050 -4.791 -2.746
16 HE21 GLN 2 HE21 GLN 2 0.977 -6.564 -2.000
17 HE22 GLN 2 HE22 GLN 2 2.610 -7.048 -2.252
18 H SER 3 H SER 3 0.153 -6.813 -4.358
19 HA SER 3 HA SER 3 -2.498 -7.148 -5.320
20 HB2 SER 3 HB2 SER 3 -2.233 -9.250 -3.863
21 HB3 SER 3 HB3 SER 3 -1.182 -9.087 -5.274
22 HG SER 3 HG SER 3 -0.542 -9.302 -2.688
23 H HIS 4 H HIS 4 -4.160 -7.979 -3.670
24 HA HIS 4 HA HIS 4 -4.906 -5.863 -1.983
25 HB2 HIS 4 HB2 HIS 4 -6.396 -7.575 -3.121
26 HB3 HIS 4 HB3 HIS 4 -5.940 -8.704 -1.852
27 HD1 HIS 4 HD1 HIS 4 -8.576 -8.722 -1.351
28 HD2 HIS 4 HD2 HIS 4 -6.626 -5.144 -0.608
29 HE1 HIS 4 HE1 HIS 4 -10.200 -7.320 -0.071
30 HE2 HIS 4 HE2 HIS 4 -9.106 -5.045 -0.120
31 H TYR 5 H TYR 5 -4.611 -5.488 0.153
32 HA TYR 5 HA TYR 5 -3.969 -5.588 2.246
33 HB2 TYR 5 HB2 TYR 5 -3.767 -8.572 1.837
34 HB3 TYR 5 HB3 TYR 5 -3.382 -7.793 3.360
35 HD1 TYR 5 HD1 TYR 5 -6.046 -8.747 1.051
36 HD2 TYR 5 HD2 TYR 5 -5.165 -6.896 4.773
37 HE1 TYR 5 HE1 TYR 5 -8.388 -8.990 1.715
38 HE2 TYR 5 HE2 TYR 5 -7.513 -7.134 5.453
39 HH TYR 5 HH TYR 5 -9.660 -9.133 3.714
40 H GLY 6 H GLY 6 -2.076 -5.760 -0.220
41 HA2 GLY 6 HA2 GLY 6 0.382 -6.301 1.233
42 HA3 GLY 6 HA3 GLY 6 0.230 -5.959 -0.489
43 H GLN 7 H GLN 7 2.166 -4.699 0.800
44 HA GLN 7 HA GLN 7 1.236 -2.096 1.684
45 HB2 GLN 7 HB2 GLN 7 3.113 -3.188 2.854
46 HB3 GLN 7 HB3 GLN 7 4.056 -3.162 1.370
47 HG2 GLN 7 HG2 GLN 7 3.944 -0.691 1.394
48 HG3 GLN 7 HG3 GLN 7 3.068 -0.770 2.918
49 HE21 GLN 7 HE21 GLN 7 5.560 0.503 2.357
50 HE22 GLN 7 HE22 GLN 7 6.747 -0.186 3.391
51 H CYS 8 H CYS 8 0.558 -0.826 0.102
52 HA CYS 8 HA CYS 8 1.576 -0.850 -2.544
53 HB2 CYS 8 HB2 CYS 8 0.536 1.528 -2.471
54 HB3 CYS 8 HB3 CYS 8 -0.557 0.103 -2.532
55 H GLY 9 H GLY 9 1.990 1.446 0.095
56 HA2 GLY 9 HA2 GLY 9 4.636 1.728 -0.068
57 HA3 GLY 9 HA3 GLY 9 4.066 2.673 -1.430
58 H GLY 10 H GLY 10 5.026 2.788 1.595
59 HA2 GLY 10 HA2 GLY 10 3.553 5.225 2.145
60 HA3 GLY 10 HA3 GLY 10 4.481 4.274 3.304
61 H ILE 11 H ILE 11 5.737 6.279 3.713
62 HA ILE 11 HA ILE 11 7.515 7.330 1.798
63 HB ILE 11 HB ILE 11 7.843 7.116 4.819
64 HG12 ILE 11 HG12 ILE 11 6.825 9.414 3.119
65 HG13 ILE 11 HG13 ILE 11 5.832 8.362 4.119
66 HG21 ILE 11 HG21 ILE 11 10.002 7.519 3.743
67 HG22 ILE 11 HG22 ILE 11 9.467 8.951 4.623
68 HG23 ILE 11 HG23 ILE 11 9.323 8.894 2.871
69 HD11 ILE 11 HD11 ILE 11 6.223 10.509 5.186
70 HD12 ILE 11 HD12 ILE 11 7.961 10.247 5.106
71 HD13 ILE 11 HD13 ILE 11 6.959 9.203 6.115
72 H GLY 12 H GLY 12 9.351 6.480 0.922
73 HA2 GLY 12 HA2 GLY 12 11.423 5.323 1.126
74 HA3 GLY 12 HA3 GLY 12 10.675 4.282 2.332
75 H TYR 13 H TYR 13 8.298 4.221 0.402
76 HA TYR 13 HA TYR 13 9.295 1.813 -0.956
77 HB2 TYR 13 HB2 TYR 13 7.230 1.842 0.582
78 HB3 TYR 13 HB3 TYR 13 6.437 2.733 -0.695
79 HD1 TYR 13 HD1 TYR 13 6.870 -0.426 0.674
80 HD2 TYR 13 HD2 TYR 13 6.631 1.493 -3.104
81 HE1 TYR 13 HE1 TYR 13 6.180 -2.548 -0.357
82 HE2 TYR 13 HE2 TYR 13 5.946 -0.618 -4.140
83 HH TYR 13 HH TYR 13 4.825 -3.192 -2.473
84 H SER 14 H SER 14 9.657 1.875 -3.104
85 HA SER 14 HA SER 14 8.428 4.050 -4.650
86 HB2 SER 14 HB2 SER 14 10.690 4.038 -5.871
87 HB3 SER 14 HB3 SER 14 10.618 4.773 -4.265
88 HG SER 14 HG SER 14 12.120 3.437 -3.768
89 H GLY 15 H GLY 15 8.240 0.859 -4.369
90 HA2 GLY 15 HA2 GLY 15 8.655 0.144 -7.176
91 HA3 GLY 15 HA3 GLY 15 8.272 -0.934 -5.844
92 HA PRO 16 HA PRO 16 4.142 -0.951 -7.852
93 HB2 PRO 16 HB2 PRO 16 3.651 -2.912 -5.713
94 HB3 PRO 16 HB3 PRO 16 3.502 -3.109 -7.459
95 HG2 PRO 16 HG2 PRO 16 5.465 -4.305 -6.114
96 HG3 PRO 16 HG3 PRO 16 5.744 -3.612 -7.724
97 HD2 PRO 16 HD2 PRO 16 6.448 -2.488 -5.041
98 HD3 PRO 16 HD3 PRO 16 7.406 -2.561 -6.535
99 H THR 17 H THR 17 4.127 1.225 -6.805
100 HA THR 17 HA THR 17 2.824 1.452 -4.285
101 HB THR 17 HB THR 17 2.701 3.918 -5.098
102 HG1 THR 17 HG1 THR 17 4.781 3.391 -6.824
103 HG21 THR 17 HG21 THR 17 5.090 4.234 -4.596
104 HG22 THR 17 HG22 THR 17 5.364 2.505 -4.827
105 HG23 THR 17 HG23 THR 17 4.361 3.067 -3.491
106 H VAL 18 H VAL 18 1.880 0.794 -7.364
107 HA VAL 18 HA VAL 18 -0.816 1.858 -7.167
108 HB VAL 18 HB VAL 18 0.398 0.072 -9.304
109 HG11 VAL 18 HG11 VAL 18 -1.436 0.867 -10.726
110 HG12 VAL 18 HG12 VAL 18 -2.072 1.795 -9.369
111 HG13 VAL 18 HG13 VAL 18 -2.029 0.033 -9.288
112 HG21 VAL 18 HG21 VAL 18 0.162 3.075 -9.277
113 HG22 VAL 18 HG22 VAL 18 0.689 2.107 -10.656
114 HG23 VAL 18 HG23 VAL 18 1.659 2.149 -9.183
115 H CYS 19 H CYS 19 -2.478 0.620 -6.526
116 HA CYS 19 HA CYS 19 -1.935 -2.077 -5.617
117 HB2 CYS 19 HB2 CYS 19 -4.318 -0.269 -5.227
118 HB3 CYS 19 HB3 CYS 19 -4.123 -1.863 -4.504
119 H ALA 20 H ALA 20 -3.429 -3.774 -6.090
120 HA ALA 20 HA ALA 20 -4.129 -4.149 -8.741
121 HB1 ALA 20 HB1 ALA 20 -5.342 -5.452 -6.300
122 HB2 ALA 20 HB2 ALA 20 -3.867 -5.972 -7.116
123 HB3 ALA 20 HB3 ALA 20 -5.417 -6.075 -7.949
124 H SER 21 H SER 21 -6.059 -4.076 -9.830
125 HA SER 21 HA SER 21 -7.662 -1.870 -9.555
126 HB2 SER 21 HB2 SER 21 -8.350 -4.482 -10.894
127 HB3 SER 21 HB3 SER 21 -9.036 -2.898 -11.256
128 HG SER 21 HG SER 21 -6.744 -4.007 -12.129
129 H GLY 22 H GLY 22 -9.082 -1.386 -8.027
130 HA2 GLY 22 HA2 GLY 22 -11.266 -1.811 -7.136
131 HA3 GLY 22 HA3 GLY 22 -10.836 -3.516 -7.041
132 H THR 23 H THR 23 -8.100 -2.160 -6.074
133 HA THR 23 HA THR 23 -9.052 -2.002 -3.315
134 HB THR 23 HB THR 23 -6.861 -2.863 -2.551
135 HG1 THR 23 HG1 THR 23 -6.298 -2.854 -5.338
136 HG21 THR 23 HG21 THR 23 -8.638 -4.478 -3.007
137 HG22 THR 23 HG22 THR 23 -7.059 -5.161 -3.378
138 HG23 THR 23 HG23 THR 23 -8.107 -4.598 -4.683
139 H THR 24 H THR 24 -8.139 -0.469 -1.947
140 HA THR 24 HA THR 24 -7.091 1.820 -3.424
141 HB THR 24 HB THR 24 -7.950 3.150 -1.460
142 HG1 THR 24 HG1 THR 24 -8.790 0.554 -0.682
143 HG21 THR 24 HG21 THR 24 -9.178 3.024 -3.555
144 HG22 THR 24 HG22 THR 24 -10.293 3.051 -2.188
145 HG23 THR 24 HG23 THR 24 -9.957 1.532 -3.028
146 H CYS 25 H CYS 25 -5.207 2.795 -2.811
147 HA CYS 25 HA CYS 25 -3.636 1.406 -0.827
148 HB2 CYS 25 HB2 CYS 25 -2.438 2.146 -2.836
149 HB3 CYS 25 HB3 CYS 25 -2.951 3.806 -2.541
150 H GLN 26 H GLN 26 -3.920 1.896 1.203
151 HA GLN 26 HA GLN 26 -4.548 4.677 1.830
152 HB2 GLN 26 HB2 GLN 26 -5.422 2.153 3.227
153 HB3 GLN 26 HB3 GLN 26 -5.720 3.780 3.836
154 HG2 GLN 26 HG2 GLN 26 -7.047 4.310 1.881
155 HG3 GLN 26 HG3 GLN 26 -6.684 2.737 1.179
156 HE21 GLN 26 HE21 GLN 26 -7.750 0.963 1.924
157 HE22 GLN 26 HE22 GLN 26 -9.102 1.043 2.990
158 H VAL 27 H VAL 27 -2.952 5.687 2.710
159 HA VAL 27 HA VAL 27 -0.719 4.340 3.861
160 HB VAL 27 HB VAL 27 -1.348 7.334 3.843
161 HG11 VAL 27 HG11 VAL 27 0.290 6.751 5.519
162 HG12 VAL 27 HG12 VAL 27 0.999 7.692 4.206
163 HG13 VAL 27 HG13 VAL 27 1.270 5.950 4.291
164 HG21 VAL 27 HG21 VAL 27 0.338 5.725 1.934
165 HG22 VAL 27 HG22 VAL 27 0.124 7.475 1.906
166 HG23 VAL 27 HG23 VAL 27 -1.248 6.413 1.586
167 H LEU 28 H LEU 28 -1.088 3.331 5.646
168 HA LEU 28 HA LEU 28 -3.002 4.172 7.649
169 HB2 LEU 28 HB2 LEU 28 -1.075 1.857 7.572
170 HB3 LEU 28 HB3 LEU 28 -2.376 2.064 8.727
171 HG LEU 28 HG LEU 28 -2.776 1.700 5.754
172 HD11 LEU 28 HD11 LEU 28 -3.076 -0.263 8.023
173 HD12 LEU 28 HD12 LEU 28 -1.846 -0.296 6.757
174 HD13 LEU 28 HD13 LEU 28 -3.544 -0.538 6.344
175 HD21 LEU 28 HD21 LEU 28 -5.092 1.303 6.395
176 HD22 LEU 28 HD22 LEU 28 -4.552 2.930 6.841
177 HD23 LEU 28 HD23 LEU 28 -4.666 1.660 8.072
178 H ASN 29 H ASN 29 0.412 3.573 7.380
179 HA ASN 29 HA ASN 29 0.957 5.272 9.713
180 HB2 ASN 29 HB2 ASN 29 2.620 2.909 8.730
181 HB3 ASN 29 HB3 ASN 29 2.909 3.869 10.164
182 HD21 ASN 29 HD21 ASN 29 2.660 1.017 9.957
183 HD22 ASN 29 HD22 ASN 29 1.335 0.554 10.956
184 HA PRO 30 HA PRO 30 3.171 7.635 6.752
185 HB2 PRO 30 HB2 PRO 30 5.800 7.320 7.927
186 HB3 PRO 30 HB3 PRO 30 4.873 8.800 7.703
187 HG2 PRO 30 HG2 PRO 30 5.205 7.760 10.175
188 HG3 PRO 30 HG3 PRO 30 3.692 8.550 9.701
189 HD2 PRO 30 HD2 PRO 30 4.334 5.646 9.931
190 HD3 PRO 30 HD3 PRO 30 2.836 6.488 10.360
191 H TYR 31 H TYR 31 4.897 4.697 7.636
192 HA TYR 31 HA TYR 31 6.075 4.668 4.955
193 HB2 TYR 31 HB2 TYR 31 6.856 2.981 7.353
194 HB3 TYR 31 HB3 TYR 31 7.696 3.092 5.820
195 HD1 TYR 31 HD1 TYR 31 9.226 4.866 5.375
196 HD2 TYR 31 HD2 TYR 31 6.893 4.964 8.935
197 HE1 TYR 31 HE1 TYR 31 10.615 6.694 6.244
198 HE2 TYR 31 HE2 TYR 31 8.280 6.780 9.797
199 HH TYR 31 HH TYR 31 10.600 7.581 9.435
200 H TYR 32 H TYR 32 3.780 3.122 7.011
201 HA TYR 32 HA TYR 32 3.622 0.838 5.192
202 HB2 TYR 32 HB2 TYR 32 3.826 0.273 7.577
203 HB3 TYR 32 HB3 TYR 32 2.345 1.157 7.913
204 HD1 TYR 32 HD1 TYR 32 3.660 -1.693 5.936
205 HD2 TYR 32 HD2 TYR 32 0.237 0.017 7.852
206 HE1 TYR 32 HE1 TYR 32 2.393 -3.759 5.541
207 HE2 TYR 32 HE2 TYR 32 -1.003 -2.050 7.462
208 HH TYR 32 HH TYR 32 -1.003 -3.962 6.037
209 H SER 33 H SER 33 2.283 1.056 3.639
210 HA SER 33 HA SER 33 -0.347 2.238 4.119
211 HB2 SER 33 HB2 SER 33 1.285 2.308 1.568
212 HB3 SER 33 HB3 SER 33 -0.257 3.126 1.867
213 HG SER 33 HG SER 33 1.724 4.386 2.040
214 H GLN 34 H GLN 34 -2.011 0.954 3.198
215 HA GLN 34 HA GLN 34 -1.029 -1.566 2.074
216 HB2 GLN 34 HB2 GLN 34 -1.556 -1.750 4.514
217 HB3 GLN 34 HB3 GLN 34 -3.217 -1.323 4.135
218 HG2 GLN 34 HG2 GLN 34 -3.478 -3.321 2.834
219 HG3 GLN 34 HG3 GLN 34 -1.782 -3.753 3.093
220 HE21 GLN 34 HE21 GLN 34 -2.193 -5.663 4.157
221 HE22 GLN 34 HE22 GLN 34 -2.956 -5.737 5.699
222 H CYS 35 H CYS 35 -2.341 -2.543 0.608
223 HA CYS 35 HA CYS 35 -4.325 -0.861 -0.678
224 HB2 CYS 35 HB2 CYS 35 -3.279 -3.597 -1.447
225 HB3 CYS 35 HB3 CYS 35 -4.293 -2.563 -2.440
226 H LEU 36 H LEU 36 -6.258 -0.941 0.256
227 HA LEU 36 HA LEU 36 -7.322 -3.572 0.956
228 HB2 LEU 36 HB2 LEU 36 -8.082 -0.897 2.150
229 HB3 LEU 36 HB3 LEU 36 -8.936 -2.390 2.449
230 HG LEU 36 HG LEU 36 -7.672 -2.094 4.347
231 HD11 LEU 36 HD11 LEU 36 -6.026 -3.938 2.678
232 HD12 LEU 36 HD12 LEU 36 -7.469 -4.339 3.599
233 HD13 LEU 36 HD13 LEU 36 -6.002 -3.841 4.436
234 HD21 LEU 36 HD21 LEU 36 -5.282 -1.362 2.672
235 HD22 LEU 36 HD22 LEU 36 -5.317 -1.480 4.434
236 HD23 LEU 36 HD23 LEU 36 -6.280 -0.253 3.612
Start of MODEL 15
1 H1 THR 1 H1 THR 1 2.430 -4.430 -9.622
2 H2 THR 1 H2 THR 1 1.536 -3.650 -10.846
3 H3 THR 1 H3 THR 1 0.966 -5.082 -10.142
4 HA THR 1 HA THR 1 1.292 -2.562 -8.726
5 HB THR 1 HB THR 1 -1.201 -2.791 -8.570
6 HG1 THR 1 HG1 THR 1 -2.131 -3.993 -10.401
7 HG21 THR 1 HG21 THR 1 -1.609 -1.774 -10.809
8 HG22 THR 1 HG22 THR 1 0.020 -2.258 -11.288
9 HG23 THR 1 HG23 THR 1 -0.206 -1.102 -9.985
10 H GLN 2 H GLN 2 0.428 -2.686 -6.559
11 HA GLN 2 HA GLN 2 1.304 -5.082 -5.283
12 HB2 GLN 2 HB2 GLN 2 1.699 -2.783 -4.409
13 HB3 GLN 2 HB3 GLN 2 -0.022 -2.635 -4.111
14 HG2 GLN 2 HG2 GLN 2 1.202 -3.125 -2.073
15 HG3 GLN 2 HG3 GLN 2 0.086 -4.422 -2.478
16 HE21 GLN 2 HE21 GLN 2 0.879 -6.436 -2.873
17 HE22 GLN 2 HE22 GLN 2 2.563 -6.829 -2.734
18 H SER 3 H SER 3 0.149 -6.728 -4.609
19 HA SER 3 HA SER 3 -2.489 -7.240 -5.324
20 HB2 SER 3 HB2 SER 3 -0.970 -8.574 -3.105
21 HB3 SER 3 HB3 SER 3 -2.129 -9.288 -4.227
22 HG SER 3 HG SER 3 -0.615 -8.777 -5.914
23 H HIS 4 H HIS 4 -4.217 -7.866 -3.790
24 HA HIS 4 HA HIS 4 -5.022 -5.841 -2.008
25 HB2 HIS 4 HB2 HIS 4 -6.496 -7.527 -3.247
26 HB3 HIS 4 HB3 HIS 4 -5.994 -8.716 -2.057
27 HD1 HIS 4 HD1 HIS 4 -8.723 -8.750 -1.712
28 HD2 HIS 4 HD2 HIS 4 -6.717 -5.383 -0.352
29 HE1 HIS 4 HE1 HIS 4 -10.332 -7.570 -0.209
30 HE2 HIS 4 HE2 HIS 4 -9.191 -5.394 0.316
31 H TYR 5 H TYR 5 -4.600 -5.539 0.104
32 HA TYR 5 HA TYR 5 -3.898 -5.741 2.160
33 HB2 TYR 5 HB2 TYR 5 -3.951 -8.717 1.667
34 HB3 TYR 5 HB3 TYR 5 -3.450 -8.024 3.208
35 HD1 TYR 5 HD1 TYR 5 -6.207 -9.097 1.231
36 HD2 TYR 5 HD2 TYR 5 -5.113 -6.475 4.383
37 HE1 TYR 5 HE1 TYR 5 -8.554 -8.949 1.915
38 HE2 TYR 5 HE2 TYR 5 -7.456 -6.325 5.090
39 HH TYR 5 HH TYR 5 -9.846 -8.417 3.927
40 H GLY 6 H GLY 6 -2.081 -5.926 -0.341
41 HA2 GLY 6 HA2 GLY 6 0.408 -6.561 1.022
42 HA3 GLY 6 HA3 GLY 6 0.221 -6.106 -0.673
43 H GLN 7 H GLN 7 2.186 -4.867 0.668
44 HA GLN 7 HA GLN 7 1.194 -2.390 1.805
45 HB2 GLN 7 HB2 GLN 7 3.123 -3.593 2.817
46 HB3 GLN 7 HB3 GLN 7 4.011 -3.360 1.315
47 HG2 GLN 7 HG2 GLN 7 3.727 -0.897 1.641
48 HG3 GLN 7 HG3 GLN 7 3.074 -1.243 3.237
49 HE21 GLN 7 HE21 GLN 7 5.381 0.268 2.506
50 HE22 GLN 7 HE22 GLN 7 6.745 -0.443 3.263
51 H CYS 8 H CYS 8 0.392 -1.069 0.160
52 HA CYS 8 HA CYS 8 1.624 -0.827 -2.384
53 HB2 CYS 8 HB2 CYS 8 0.469 1.425 -2.467
54 HB3 CYS 8 HB3 CYS 8 -0.620 0.030 -2.279
55 H GLY 9 H GLY 9 2.189 0.543 0.661
56 HA2 GLY 9 HA2 GLY 9 4.482 1.042 1.149
57 HA3 GLY 9 HA3 GLY 9 4.628 1.561 -0.514
58 H GLY 10 H GLY 10 4.841 2.614 2.379
59 HA2 GLY 10 HA2 GLY 10 3.545 5.156 1.987
60 HA3 GLY 10 HA3 GLY 10 4.397 4.552 3.404
61 H ILE 11 H ILE 11 5.630 6.504 3.335
62 HA ILE 11 HA ILE 11 7.517 7.201 1.390
63 HB ILE 11 HB ILE 11 7.813 7.388 4.407
64 HG12 ILE 11 HG12 ILE 11 6.667 9.433 2.492
65 HG13 ILE 11 HG13 ILE 11 5.702 8.406 3.549
66 HG21 ILE 11 HG21 ILE 11 9.904 7.772 3.226
67 HG22 ILE 11 HG22 ILE 11 9.311 9.281 3.919
68 HG23 ILE 11 HG23 ILE 11 9.125 8.972 2.194
69 HD11 ILE 11 HD11 ILE 11 7.706 10.469 4.430
70 HD12 ILE 11 HD12 ILE 11 6.748 9.445 5.497
71 HD13 ILE 11 HD13 ILE 11 5.951 10.637 4.470
72 H GLY 12 H GLY 12 9.213 6.059 0.663
73 HA2 GLY 12 HA2 GLY 12 11.338 4.979 1.230
74 HA3 GLY 12 HA3 GLY 12 10.455 4.096 2.473
75 H TYR 13 H TYR 13 8.276 4.045 0.266
76 HA TYR 13 HA TYR 13 9.324 1.599 -0.980
77 HB2 TYR 13 HB2 TYR 13 7.339 1.472 0.593
78 HB3 TYR 13 HB3 TYR 13 6.465 2.450 -0.566
79 HD1 TYR 13 HD1 TYR 13 7.269 -0.844 0.472
80 HD2 TYR 13 HD2 TYR 13 6.224 1.425 -2.966
81 HE1 TYR 13 HE1 TYR 13 6.489 -2.896 -0.642
82 HE2 TYR 13 HE2 TYR 13 5.447 -0.611 -4.081
83 HH TYR 13 HH TYR 13 4.754 -3.394 -2.552
84 H SER 14 H SER 14 9.913 1.986 -3.020
85 HA SER 14 HA SER 14 8.532 4.083 -4.519
86 HB2 SER 14 HB2 SER 14 10.690 3.975 -5.897
87 HB3 SER 14 HB3 SER 14 10.793 4.668 -4.278
88 HG SER 14 HG SER 14 12.444 3.104 -4.814
89 H GLY 15 H GLY 15 8.487 0.837 -4.239
90 HA2 GLY 15 HA2 GLY 15 8.561 0.069 -7.016
91 HA3 GLY 15 HA3 GLY 15 8.122 -0.953 -5.655
92 HA PRO 16 HA PRO 16 4.081 -0.568 -7.758
93 HB2 PRO 16 HB2 PRO 16 3.416 -2.653 -5.770
94 HB3 PRO 16 HB3 PRO 16 3.171 -2.656 -7.519
95 HG2 PRO 16 HG2 PRO 16 5.055 -4.152 -6.425
96 HG3 PRO 16 HG3 PRO 16 5.315 -3.290 -7.960
97 HD2 PRO 16 HD2 PRO 16 6.261 -2.563 -5.193
98 HD3 PRO 16 HD3 PRO 16 7.152 -2.510 -6.731
99 H THR 17 H THR 17 4.066 1.515 -6.588
100 HA THR 17 HA THR 17 2.710 1.608 -4.077
101 HB THR 17 HB THR 17 2.611 4.120 -4.689
102 HG1 THR 17 HG1 THR 17 4.644 3.559 -6.531
103 HG21 THR 17 HG21 THR 17 5.287 2.720 -4.568
104 HG22 THR 17 HG22 THR 17 4.298 3.149 -3.174
105 HG23 THR 17 HG23 THR 17 4.999 4.416 -4.186
106 H VAL 18 H VAL 18 1.841 1.218 -7.241
107 HA VAL 18 HA VAL 18 -0.890 2.164 -6.906
108 HB VAL 18 HB VAL 18 0.377 0.776 -9.291
109 HG11 VAL 18 HG11 VAL 18 -1.518 1.687 -10.564
110 HG12 VAL 18 HG12 VAL 18 -2.183 2.363 -9.076
111 HG13 VAL 18 HG13 VAL 18 -2.054 0.615 -9.270
112 HG21 VAL 18 HG21 VAL 18 1.525 2.870 -8.869
113 HG22 VAL 18 HG22 VAL 18 -0.014 3.725 -8.812
114 HG23 VAL 18 HG23 VAL 18 0.538 3.000 -10.323
115 H CYS 19 H CYS 19 -2.440 0.805 -6.351
116 HA CYS 19 HA CYS 19 -1.765 -1.934 -5.737
117 HB2 CYS 19 HB2 CYS 19 -4.284 -0.342 -5.259
118 HB3 CYS 19 HB3 CYS 19 -3.943 -1.941 -4.618
119 H ALA 20 H ALA 20 -3.408 -3.593 -6.248
120 HA ALA 20 HA ALA 20 -3.909 -3.702 -9.027
121 HB1 ALA 20 HB1 ALA 20 -5.001 -5.837 -8.531
122 HB2 ALA 20 HB2 ALA 20 -4.946 -5.465 -6.806
123 HB3 ALA 20 HB3 ALA 20 -3.449 -5.706 -7.704
124 H SER 21 H SER 21 -5.969 -3.827 -10.066
125 HA SER 21 HA SER 21 -7.734 -1.797 -9.374
126 HB2 SER 21 HB2 SER 21 -8.232 -4.189 -11.155
127 HB3 SER 21 HB3 SER 21 -9.123 -2.667 -11.181
128 HG SER 21 HG SER 21 -6.586 -2.055 -11.325
129 H GLY 22 H GLY 22 -9.292 -1.690 -7.928
130 HA2 GLY 22 HA2 GLY 22 -11.301 -2.623 -6.985
131 HA3 GLY 22 HA3 GLY 22 -10.499 -4.190 -6.969
132 H THR 23 H THR 23 -8.098 -2.263 -6.083
133 HA THR 23 HA THR 23 -8.903 -2.269 -3.263
134 HB THR 23 HB THR 23 -6.580 -2.862 -2.633
135 HG1 THR 23 HG1 THR 23 -6.220 -2.862 -5.457
136 HG21 THR 23 HG21 THR 23 -8.192 -4.667 -2.896
137 HG22 THR 23 HG22 THR 23 -6.591 -5.194 -3.407
138 HG23 THR 23 HG23 THR 23 -7.809 -4.777 -4.612
139 H THR 24 H THR 24 -7.893 -0.629 -1.945
140 HA THR 24 HA THR 24 -6.989 1.644 -3.553
141 HB THR 24 HB THR 24 -7.886 3.048 -1.635
142 HG1 THR 24 HG1 THR 24 -8.760 0.476 -0.844
143 HG21 THR 24 HG21 THR 24 -10.213 2.922 -2.435
144 HG22 THR 24 HG22 THR 24 -9.836 1.389 -3.232
145 HG23 THR 24 HG23 THR 24 -9.047 2.878 -3.760
146 H CYS 25 H CYS 25 -5.087 2.622 -2.983
147 HA CYS 25 HA CYS 25 -3.542 1.390 -0.916
148 HB2 CYS 25 HB2 CYS 25 -2.331 2.134 -2.888
149 HB3 CYS 25 HB3 CYS 25 -2.911 3.782 -2.680
150 H GLN 26 H GLN 26 -3.794 1.868 1.110
151 HA GLN 26 HA GLN 26 -4.618 4.587 1.815
152 HB2 GLN 26 HB2 GLN 26 -5.182 1.998 3.273
153 HB3 GLN 26 HB3 GLN 26 -5.696 3.593 3.802
154 HG2 GLN 26 HG2 GLN 26 -7.088 3.832 1.820
155 HG3 GLN 26 HG3 GLN 26 -6.545 2.264 1.238
156 HE21 GLN 26 HE21 GLN 26 -8.591 1.455 1.175
157 HE22 GLN 26 HE22 GLN 26 -9.495 1.050 2.580
158 H VAL 27 H VAL 27 -3.022 5.681 2.653
159 HA VAL 27 HA VAL 27 -0.722 4.365 3.725
160 HB VAL 27 HB VAL 27 -1.342 7.356 3.606
161 HG11 VAL 27 HG11 VAL 27 1.197 5.890 4.068
162 HG12 VAL 27 HG12 VAL 27 0.350 6.945 5.199
163 HG13 VAL 27 HG13 VAL 27 1.093 7.620 3.743
164 HG21 VAL 27 HG21 VAL 27 0.211 5.655 1.665
165 HG22 VAL 27 HG22 VAL 27 0.053 7.407 1.602
166 HG23 VAL 27 HG23 VAL 27 -1.365 6.386 1.369
167 H LEU 28 H LEU 28 -1.146 3.395 5.527
168 HA LEU 28 HA LEU 28 -3.030 4.324 7.510
169 HB2 LEU 28 HB2 LEU 28 -1.056 2.057 7.754
170 HB3 LEU 28 HB3 LEU 28 -2.524 2.288 8.672
171 HG LEU 28 HG LEU 28 -2.339 1.548 5.752
172 HD11 LEU 28 HD11 LEU 28 -3.340 -0.551 6.469
173 HD12 LEU 28 HD12 LEU 28 -3.283 -0.000 8.146
174 HD13 LEU 28 HD13 LEU 28 -1.785 -0.258 7.252
175 HD21 LEU 28 HD21 LEU 28 -4.755 1.949 7.488
176 HD22 LEU 28 HD22 LEU 28 -4.755 1.295 5.847
177 HD23 LEU 28 HD23 LEU 28 -4.260 2.969 6.132
178 H ASN 29 H ASN 29 0.391 4.025 7.137
179 HA ASN 29 HA ASN 29 0.920 5.765 9.427
180 HB2 ASN 29 HB2 ASN 29 2.500 3.286 8.628
181 HB3 ASN 29 HB3 ASN 29 2.894 4.393 9.937
182 HD21 ASN 29 HD21 ASN 29 0.937 1.786 8.890
183 HD22 ASN 29 HD22 ASN 29 0.298 1.359 10.421
184 HA PRO 30 HA PRO 30 3.218 7.830 6.309
185 HB2 PRO 30 HB2 PRO 30 5.818 7.645 7.584
186 HB3 PRO 30 HB3 PRO 30 4.865 9.085 7.227
187 HG2 PRO 30 HG2 PRO 30 5.181 8.225 9.761
188 HG3 PRO 30 HG3 PRO 30 3.669 8.961 9.210
189 HD2 PRO 30 HD2 PRO 30 4.325 6.072 9.620
190 HD3 PRO 30 HD3 PRO 30 2.828 6.937 10.010
191 H TYR 31 H TYR 31 4.918 4.977 7.531
192 HA TYR 31 HA TYR 31 6.199 4.742 4.904
193 HB2 TYR 31 HB2 TYR 31 6.926 3.262 7.454
194 HB3 TYR 31 HB3 TYR 31 7.834 3.344 5.956
195 HD1 TYR 31 HD1 TYR 31 9.143 5.294 5.381
196 HD2 TYR 31 HD2 TYR 31 6.922 5.196 9.013
197 HE1 TYR 31 HE1 TYR 31 10.386 7.236 6.187
198 HE2 TYR 31 HE2 TYR 31 8.166 7.144 9.827
199 HH TYR 31 HH TYR 31 9.954 9.083 7.819
200 H TYR 32 H TYR 32 3.928 3.230 7.073
201 HA TYR 32 HA TYR 32 3.775 0.908 5.299
202 HB2 TYR 32 HB2 TYR 32 3.891 0.424 7.791
203 HB3 TYR 32 HB3 TYR 32 2.351 1.239 7.941
204 HD1 TYR 32 HD1 TYR 32 3.965 -1.641 6.247
205 HD2 TYR 32 HD2 TYR 32 0.285 0.086 7.553
206 HE1 TYR 32 HE1 TYR 32 2.781 -3.715 5.665
207 HE2 TYR 32 HE2 TYR 32 -0.882 -2.005 6.979
208 HH TYR 32 HH TYR 32 0.779 -4.886 6.170
209 H SER 33 H SER 33 2.372 0.941 3.765
210 HA SER 33 HA SER 33 -0.246 2.129 4.221
211 HB2 SER 33 HB2 SER 33 1.428 2.378 1.717
212 HB3 SER 33 HB3 SER 33 -0.161 3.109 1.996
213 HG SER 33 HG SER 33 1.474 3.773 3.999
214 H GLN 34 H GLN 34 -1.884 0.872 3.206
215 HA GLN 34 HA GLN 34 -0.876 -1.640 2.078
216 HB2 GLN 34 HB2 GLN 34 -1.467 -1.868 4.493
217 HB3 GLN 34 HB3 GLN 34 -3.102 -1.362 4.107
218 HG2 GLN 34 HG2 GLN 34 -3.425 -3.321 2.750
219 HG3 GLN 34 HG3 GLN 34 -1.758 -3.834 3.034
220 HE21 GLN 34 HE21 GLN 34 -2.264 -5.738 4.026
221 HE22 GLN 34 HE22 GLN 34 -3.076 -5.847 5.537
222 H CYS 35 H CYS 35 -2.285 -2.658 0.637
223 HA CYS 35 HA CYS 35 -4.195 -0.888 -0.668
224 HB2 CYS 35 HB2 CYS 35 -3.194 -3.630 -1.474
225 HB3 CYS 35 HB3 CYS 35 -4.232 -2.587 -2.441
226 H LEU 36 H LEU 36 -6.100 -0.917 0.250
227 HA LEU 36 HA LEU 36 -7.201 -3.488 1.085
228 HB2 LEU 36 HB2 LEU 36 -8.003 -0.707 1.971
229 HB3 LEU 36 HB3 LEU 36 -8.849 -2.169 2.412
230 HG LEU 36 HG LEU 36 -7.605 -1.635 4.288
231 HD11 LEU 36 HD11 LEU 36 -7.422 -3.946 3.796
232 HD12 LEU 36 HD12 LEU 36 -5.966 -3.353 4.594
233 HD13 LEU 36 HD13 LEU 36 -5.953 -3.663 2.862
234 HD21 LEU 36 HD21 LEU 36 -5.244 -1.049 4.331
235 HD22 LEU 36 HD22 LEU 36 -6.179 0.086 3.358
236 HD23 LEU 36 HD23 LEU 36 -5.182 -1.139 2.570
Start of MODEL 16
1 H1 THR 1 H1 THR 1 2.964 -3.971 -10.742
2 H2 THR 1 H2 THR 1 2.452 -5.434 -10.055
3 H3 THR 1 H3 THR 1 3.584 -4.485 -9.244
4 HA THR 1 HA THR 1 1.940 -2.777 -8.967
5 HB THR 1 HB THR 1 -0.019 -4.679 -10.259
6 HG1 THR 1 HG1 THR 1 0.449 -3.550 -12.225
7 HG21 THR 1 HG21 THR 1 -1.210 -2.544 -10.646
8 HG22 THR 1 HG22 THR 1 0.142 -1.692 -9.869
9 HG23 THR 1 HG23 THR 1 -0.864 -2.780 -8.926
10 H GLN 2 H GLN 2 0.560 -2.923 -7.011
11 HA GLN 2 HA GLN 2 1.370 -5.262 -5.525
12 HB2 GLN 2 HB2 GLN 2 1.532 -2.875 -4.652
13 HB3 GLN 2 HB3 GLN 2 -0.214 -2.935 -4.463
14 HG2 GLN 2 HG2 GLN 2 0.842 -3.494 -2.360
15 HG3 GLN 2 HG3 GLN 2 0.009 -4.905 -3.020
16 HE21 GLN 2 HE21 GLN 2 1.191 -6.534 -2.224
17 HE22 GLN 2 HE22 GLN 2 2.870 -6.772 -2.492
18 H SER 3 H SER 3 0.084 -6.664 -4.413
19 HA SER 3 HA SER 3 -2.480 -7.213 -5.547
20 HB2 SER 3 HB2 SER 3 -2.123 -9.269 -4.105
21 HB3 SER 3 HB3 SER 3 -0.942 -9.007 -5.390
22 HG SER 3 HG SER 3 -0.341 -9.413 -2.966
23 H HIS 4 H HIS 4 -4.005 -8.239 -3.691
24 HA HIS 4 HA HIS 4 -4.875 -6.003 -2.125
25 HB2 HIS 4 HB2 HIS 4 -6.319 -7.816 -3.276
26 HB3 HIS 4 HB3 HIS 4 -5.849 -8.853 -1.938
27 HD1 HIS 4 HD1 HIS 4 -8.736 -8.554 -2.115
28 HD2 HIS 4 HD2 HIS 4 -6.460 -5.654 -0.209
29 HE1 HIS 4 HE1 HIS 4 -10.333 -7.273 -0.689
30 HE2 HIS 4 HE2 HIS 4 -8.962 -5.293 0.037
31 H TYR 5 H TYR 5 -4.507 -5.614 0.021
32 HA TYR 5 HA TYR 5 -3.799 -5.737 2.083
33 HB2 TYR 5 HB2 TYR 5 -3.820 -8.723 1.656
34 HB3 TYR 5 HB3 TYR 5 -3.256 -8.008 3.163
35 HD1 TYR 5 HD1 TYR 5 -6.145 -8.962 1.220
36 HD2 TYR 5 HD2 TYR 5 -4.833 -6.593 4.493
37 HE1 TYR 5 HE1 TYR 5 -8.464 -8.802 2.033
38 HE2 TYR 5 HE2 TYR 5 -7.129 -6.434 5.315
39 HH TYR 5 HH TYR 5 -9.635 -8.377 4.161
40 H GLY 6 H GLY 6 -2.004 -5.904 -0.389
41 HA2 GLY 6 HA2 GLY 6 0.504 -6.449 0.973
42 HA3 GLY 6 HA3 GLY 6 0.300 -6.064 -0.739
43 H GLN 7 H GLN 7 2.239 -4.734 0.553
44 HA GLN 7 HA GLN 7 1.132 -2.205 1.453
45 HB2 GLN 7 HB2 GLN 7 2.999 -3.191 2.728
46 HB3 GLN 7 HB3 GLN 7 4.001 -3.153 1.287
47 HG2 GLN 7 HG2 GLN 7 3.815 -0.713 1.230
48 HG3 GLN 7 HG3 GLN 7 2.851 -0.767 2.702
49 HE21 GLN 7 HE21 GLN 7 5.336 0.541 2.158
50 HE22 GLN 7 HE22 GLN 7 6.487 -0.048 3.293
51 H CYS 8 H CYS 8 0.550 -0.828 -0.076
52 HA CYS 8 HA CYS 8 1.751 -0.741 -2.667
53 HB2 CYS 8 HB2 CYS 8 0.601 1.575 -2.648
54 HB3 CYS 8 HB3 CYS 8 -0.449 0.127 -2.709
55 H GLY 9 H GLY 9 2.118 0.954 0.328
56 HA2 GLY 9 HA2 GLY 9 4.520 1.405 0.734
57 HA3 GLY 9 HA3 GLY 9 4.522 2.065 -0.885
58 H GLY 10 H GLY 10 4.814 2.854 2.090
59 HA2 GLY 10 HA2 GLY 10 3.411 5.376 1.964
60 HA3 GLY 10 HA3 GLY 10 4.242 4.654 3.326
61 H ILE 11 H ILE 11 5.490 6.621 3.478
62 HA ILE 11 HA ILE 11 7.438 7.415 1.607
63 HB ILE 11 HB ILE 11 7.614 7.436 4.638
64 HG12 ILE 11 HG12 ILE 11 6.649 9.624 2.778
65 HG13 ILE 11 HG13 ILE 11 5.602 8.599 3.753
66 HG21 ILE 11 HG21 ILE 11 9.208 9.295 4.328
67 HG22 ILE 11 HG22 ILE 11 9.129 9.044 2.583
68 HG23 ILE 11 HG23 ILE 11 9.786 7.784 3.624
69 HD11 ILE 11 HD11 ILE 11 6.630 9.502 5.780
70 HD12 ILE 11 HD12 ILE 11 5.901 10.765 4.795
71 HD13 ILE 11 HD13 ILE 11 7.652 10.542 4.790
72 H GLY 12 H GLY 12 9.279 6.377 0.969
73 HA2 GLY 12 HA2 GLY 12 11.299 5.193 1.429
74 HA3 GLY 12 HA3 GLY 12 10.487 4.418 2.786
75 H TYR 13 H TYR 13 8.517 4.432 0.121
76 HA TYR 13 HA TYR 13 9.402 1.724 -0.635
77 HB2 TYR 13 HB2 TYR 13 7.144 2.026 0.510
78 HB3 TYR 13 HB3 TYR 13 6.635 2.929 -0.904
79 HD1 TYR 13 HD1 TYR 13 6.663 1.632 -3.163
80 HD2 TYR 13 HD2 TYR 13 6.885 -0.255 0.635
81 HE1 TYR 13 HE1 TYR 13 5.866 -0.461 -4.156
82 HE2 TYR 13 HE2 TYR 13 6.099 -2.353 -0.354
83 HH TYR 13 HH TYR 13 4.616 -2.878 -2.472
84 H SER 14 H SER 14 9.790 1.387 -2.876
85 HA SER 14 HA SER 14 9.059 3.575 -4.667
86 HB2 SER 14 HB2 SER 14 11.394 3.414 -5.672
87 HB3 SER 14 HB3 SER 14 11.263 4.166 -4.081
88 HG SER 14 HG SER 14 12.897 2.377 -4.618
89 H GLY 15 H GLY 15 8.474 0.580 -4.147
90 HA2 GLY 15 HA2 GLY 15 8.976 -0.436 -6.833
91 HA3 GLY 15 HA3 GLY 15 8.349 -1.356 -5.466
92 HA PRO 16 HA PRO 16 4.518 -0.711 -7.882
93 HB2 PRO 16 HB2 PRO 16 3.425 -2.713 -6.069
94 HB3 PRO 16 HB3 PRO 16 3.628 -2.783 -7.821
95 HG2 PRO 16 HG2 PRO 16 5.080 -4.287 -6.110
96 HG3 PRO 16 HG3 PRO 16 5.692 -3.744 -7.678
97 HD2 PRO 16 HD2 PRO 16 6.249 -2.685 -4.949
98 HD3 PRO 16 HD3 PRO 16 7.339 -2.881 -6.340
99 H THR 17 H THR 17 4.118 1.358 -7.000
100 HA THR 17 HA THR 17 2.962 1.539 -4.382
101 HB THR 17 HB THR 17 2.753 4.015 -5.146
102 HG1 THR 17 HG1 THR 17 3.104 4.039 -7.232
103 HG21 THR 17 HG21 THR 17 4.432 3.226 -3.539
104 HG22 THR 17 HG22 THR 17 5.138 4.418 -4.633
105 HG23 THR 17 HG23 THR 17 5.463 2.698 -4.868
106 H VAL 18 H VAL 18 1.931 0.977 -7.500
107 HA VAL 18 HA VAL 18 -0.757 2.014 -7.132
108 HB VAL 18 HB VAL 18 0.414 0.366 -9.402
109 HG11 VAL 18 HG11 VAL 18 -2.018 0.139 -9.272
110 HG12 VAL 18 HG12 VAL 18 -1.553 1.076 -10.690
111 HG13 VAL 18 HG13 VAL 18 -2.192 1.893 -9.263
112 HG21 VAL 18 HG21 VAL 18 1.462 2.570 -9.199
113 HG22 VAL 18 HG22 VAL 18 -0.129 3.327 -9.263
114 HG23 VAL 18 HG23 VAL 18 0.485 2.441 -10.659
115 H CYS 19 H CYS 19 -2.441 0.812 -6.487
116 HA CYS 19 HA CYS 19 -1.958 -1.934 -5.668
117 HB2 CYS 19 HB2 CYS 19 -4.261 -0.057 -5.144
118 HB3 CYS 19 HB3 CYS 19 -4.142 -1.697 -4.522
119 H ALA 20 H ALA 20 -3.807 -3.454 -5.963
120 HA ALA 20 HA ALA 20 -4.442 -3.768 -8.702
121 HB1 ALA 20 HB1 ALA 20 -5.668 -5.746 -7.962
122 HB2 ALA 20 HB2 ALA 20 -5.562 -5.199 -6.294
123 HB3 ALA 20 HB3 ALA 20 -4.098 -5.662 -7.162
124 H SER 21 H SER 21 -6.593 -3.879 -9.627
125 HA SER 21 HA SER 21 -8.193 -1.682 -9.094
126 HB2 SER 21 HB2 SER 21 -8.902 -4.210 -10.597
127 HB3 SER 21 HB3 SER 21 -9.717 -2.654 -10.745
128 HG SER 21 HG SER 21 -7.848 -3.368 -12.252
129 H GLY 22 H GLY 22 -9.635 -1.342 -7.554
130 HA2 GLY 22 HA2 GLY 22 -11.652 -1.988 -6.418
131 HA3 GLY 22 HA3 GLY 22 -11.054 -3.641 -6.406
132 H THR 23 H THR 23 -8.336 -2.290 -5.769
133 HA THR 23 HA THR 23 -8.904 -2.190 -2.905
134 HB THR 23 HB THR 23 -6.591 -2.884 -2.482
135 HG1 THR 23 HG1 THR 23 -6.352 -2.512 -5.261
136 HG21 THR 23 HG21 THR 23 -6.647 -5.147 -3.419
137 HG22 THR 23 HG22 THR 23 -7.925 -4.646 -4.527
138 HG23 THR 23 HG23 THR 23 -8.214 -4.656 -2.787
139 H THR 24 H THR 24 -8.016 -0.584 -1.709
140 HA THR 24 HA THR 24 -7.165 1.741 -3.268
141 HB THR 24 HB THR 24 -8.005 3.030 -1.230
142 HG1 THR 24 HG1 THR 24 -8.780 0.400 -0.553
143 HG21 THR 24 HG21 THR 24 -10.355 2.902 -1.969
144 HG22 THR 24 HG22 THR 24 -9.968 1.432 -2.874
145 HG23 THR 24 HG23 THR 24 -9.224 2.970 -3.325
146 H CYS 25 H CYS 25 -5.269 2.710 -2.768
147 HA CYS 25 HA CYS 25 -3.580 1.419 -0.854
148 HB2 CYS 25 HB2 CYS 25 -2.570 2.239 -2.950
149 HB3 CYS 25 HB3 CYS 25 -3.075 3.879 -2.560
150 H GLN 26 H GLN 26 -3.941 1.834 1.162
151 HA GLN 26 HA GLN 26 -4.693 4.556 1.904
152 HB2 GLN 26 HB2 GLN 26 -5.172 1.944 3.319
153 HB3 GLN 26 HB3 GLN 26 -5.604 3.524 3.961
154 HG2 GLN 26 HG2 GLN 26 -7.155 3.889 2.168
155 HG3 GLN 26 HG3 GLN 26 -6.648 2.399 1.378
156 HE21 GLN 26 HE21 GLN 26 -8.685 1.577 1.413
157 HE22 GLN 26 HE22 GLN 26 -9.436 0.989 2.850
158 H VAL 27 H VAL 27 -3.127 5.675 2.749
159 HA VAL 27 HA VAL 27 -0.769 4.404 3.764
160 HB VAL 27 HB VAL 27 -1.477 7.379 3.901
161 HG11 VAL 27 HG11 VAL 27 0.304 6.710 5.363
162 HG12 VAL 27 HG12 VAL 27 0.856 7.788 4.075
163 HG13 VAL 27 HG13 VAL 27 1.191 6.055 3.989
164 HG21 VAL 27 HG21 VAL 27 -1.594 6.631 1.578
165 HG22 VAL 27 HG22 VAL 27 0.011 5.924 1.722
166 HG23 VAL 27 HG23 VAL 27 -0.196 7.673 1.843
167 H LEU 28 H LEU 28 -1.187 3.322 5.513
168 HA LEU 28 HA LEU 28 -3.129 4.127 7.509
169 HB2 LEU 28 HB2 LEU 28 -1.168 1.836 7.524
170 HB3 LEU 28 HB3 LEU 28 -2.534 2.018 8.596
171 HG LEU 28 HG LEU 28 -2.681 1.533 5.615
172 HD11 LEU 28 HD11 LEU 28 -1.910 -0.392 6.855
173 HD12 LEU 28 HD12 LEU 28 -3.554 -0.649 6.267
174 HD13 LEU 28 HD13 LEU 28 -3.272 -0.247 7.964
175 HD21 LEU 28 HD21 LEU 28 -4.552 2.862 6.411
176 HD22 LEU 28 HD22 LEU 28 -4.833 1.674 7.693
177 HD23 LEU 28 HD23 LEU 28 -5.054 1.215 5.999
178 H ASN 29 H ASN 29 0.267 3.930 7.108
179 HA ASN 29 HA ASN 29 0.779 5.472 9.531
180 HB2 ASN 29 HB2 ASN 29 2.430 3.101 8.549
181 HB3 ASN 29 HB3 ASN 29 2.722 4.072 9.984
182 HD21 ASN 29 HD21 ASN 29 0.781 1.604 8.576
183 HD22 ASN 29 HD22 ASN 29 0.106 0.984 10.033
184 HA PRO 30 HA PRO 30 2.912 7.826 6.511
185 HB2 PRO 30 HB2 PRO 30 5.530 7.659 7.715
186 HB3 PRO 30 HB3 PRO 30 4.530 9.087 7.464
187 HG2 PRO 30 HG2 PRO 30 4.946 8.028 9.943
188 HG3 PRO 30 HG3 PRO 30 3.463 8.882 9.490
189 HD2 PRO 30 HD2 PRO 30 3.933 5.963 9.845
190 HD3 PRO 30 HD3 PRO 30 2.457 6.906 10.101
191 H TYR 31 H TYR 31 4.709 4.966 7.537
192 HA TYR 31 HA TYR 31 6.021 4.924 4.921
193 HB2 TYR 31 HB2 TYR 31 6.724 3.375 7.434
194 HB3 TYR 31 HB3 TYR 31 7.677 3.450 5.958
195 HD1 TYR 31 HD1 TYR 31 6.547 5.399 8.898
196 HD2 TYR 31 HD2 TYR 31 9.128 5.335 5.526
197 HE1 TYR 31 HE1 TYR 31 7.709 7.369 9.761
198 HE2 TYR 31 HE2 TYR 31 10.299 7.313 6.384
199 HH TYR 31 HH TYR 31 9.784 8.494 9.573
200 H TYR 32 H TYR 32 3.711 3.288 6.909
201 HA TYR 32 HA TYR 32 3.691 1.023 5.050
202 HB2 TYR 32 HB2 TYR 32 3.821 0.448 7.482
203 HB3 TYR 32 HB3 TYR 32 2.272 1.228 7.703
204 HD1 TYR 32 HD1 TYR 32 3.945 -1.579 5.980
205 HD2 TYR 32 HD2 TYR 32 0.199 0.035 7.272
206 HE1 TYR 32 HE1 TYR 32 2.838 -3.704 5.447
207 HE2 TYR 32 HE2 TYR 32 -0.882 -2.101 6.738
208 HH TYR 32 HH TYR 32 -0.576 -4.048 5.409
209 H SER 33 H SER 33 2.369 1.255 3.433
210 HA SER 33 HA SER 33 -0.337 2.274 3.925
211 HB2 SER 33 HB2 SER 33 1.281 2.442 1.371
212 HB3 SER 33 HB3 SER 33 -0.321 3.141 1.652
213 HG SER 33 HG SER 33 1.548 4.542 1.826
214 H GLN 34 H GLN 34 -1.930 0.887 3.170
215 HA GLN 34 HA GLN 34 -0.908 -1.599 1.979
216 HB2 GLN 34 HB2 GLN 34 -1.424 -1.805 4.417
217 HB3 GLN 34 HB3 GLN 34 -3.084 -1.368 4.059
218 HG2 GLN 34 HG2 GLN 34 -3.387 -3.377 2.775
219 HG3 GLN 34 HG3 GLN 34 -1.686 -3.808 2.974
220 HE21 GLN 34 HE21 GLN 34 -2.036 -5.727 4.072
221 HE22 GLN 34 HE22 GLN 34 -2.741 -5.758 5.651
222 H CYS 35 H CYS 35 -2.291 -2.649 0.567
223 HA CYS 35 HA CYS 35 -4.259 -0.924 -0.704
224 HB2 CYS 35 HB2 CYS 35 -3.242 -3.657 -1.511
225 HB3 CYS 35 HB3 CYS 35 -4.258 -2.612 -2.487
226 H LEU 36 H LEU 36 -6.138 -0.992 0.290
227 HA LEU 36 HA LEU 36 -7.195 -3.591 1.107
228 HB2 LEU 36 HB2 LEU 36 -8.008 -0.835 2.053
229 HB3 LEU 36 HB3 LEU 36 -8.833 -2.310 2.493
230 HG LEU 36 HG LEU 36 -7.560 -1.813 4.350
231 HD11 LEU 36 HD11 LEU 36 -5.865 -3.502 4.581
232 HD12 LEU 36 HD12 LEU 36 -5.871 -3.749 2.838
233 HD13 LEU 36 HD13 LEU 36 -7.314 -4.112 3.782
234 HD21 LEU 36 HD21 LEU 36 -5.199 -1.194 2.588
235 HD22 LEU 36 HD22 LEU 36 -5.210 -1.163 4.355
236 HD23 LEU 36 HD23 LEU 36 -6.207 -0.027 3.446
Start of MODEL 17
1 H1 THR 1 H1 THR 1 2.133 -3.745 -10.649
2 H2 THR 1 H2 THR 1 1.636 -5.207 -10.009
3 H3 THR 1 H3 THR 1 3.008 -4.430 -9.373
4 HA THR 1 HA THR 1 1.544 -2.633 -8.619
5 HB THR 1 HB THR 1 -0.877 -3.319 -8.579
6 HG1 THR 1 HG1 THR 1 -1.507 -4.882 -10.057
7 HG21 THR 1 HG21 THR 1 0.344 -2.689 -11.275
8 HG22 THR 1 HG22 THR 1 -0.040 -1.510 -10.020
9 HG23 THR 1 HG23 THR 1 -1.338 -2.401 -10.817
10 H GLN 2 H GLN 2 0.365 -2.888 -6.528
11 HA GLN 2 HA GLN 2 1.334 -5.274 -5.190
12 HB2 GLN 2 HB2 GLN 2 1.679 -2.987 -4.214
13 HB3 GLN 2 HB3 GLN 2 -0.061 -2.890 -3.985
14 HG2 GLN 2 HG2 GLN 2 0.943 -3.606 -1.933
15 HG3 GLN 2 HG3 GLN 2 0.010 -4.928 -2.629
16 HE21 GLN 2 HE21 GLN 2 1.041 -6.666 -1.938
17 HE22 GLN 2 HE22 GLN 2 2.708 -7.015 -2.148
18 H SER 3 H SER 3 0.129 -6.790 -4.296
19 HA SER 3 HA SER 3 -2.480 -7.236 -5.233
20 HB2 SER 3 HB2 SER 3 -2.120 -9.239 -3.649
21 HB3 SER 3 HB3 SER 3 -1.085 -9.082 -5.072
22 HG SER 3 HG SER 3 -0.189 -9.456 -2.798
23 H HIS 4 H HIS 4 -4.188 -7.993 -3.657
24 HA HIS 4 HA HIS 4 -4.951 -5.861 -1.961
25 HB2 HIS 4 HB2 HIS 4 -6.482 -7.502 -3.203
26 HB3 HIS 4 HB3 HIS 4 -6.096 -8.664 -1.942
27 HD1 HIS 4 HD1 HIS 4 -8.889 -8.380 -1.844
28 HD2 HIS 4 HD2 HIS 4 -6.577 -5.330 -0.273
29 HE1 HIS 4 HE1 HIS 4 -10.445 -7.013 -0.438
30 HE2 HIS 4 HE2 HIS 4 -9.065 -4.945 -0.093
31 H TYR 5 H TYR 5 -4.598 -5.544 0.147
32 HA TYR 5 HA TYR 5 -3.999 -5.747 2.248
33 HB2 TYR 5 HB2 TYR 5 -3.946 -8.736 1.782
34 HB3 TYR 5 HB3 TYR 5 -3.607 -7.987 3.335
35 HD1 TYR 5 HD1 TYR 5 -5.436 -6.541 4.367
36 HD2 TYR 5 HD2 TYR 5 -6.138 -9.213 1.140
37 HE1 TYR 5 HE1 TYR 5 -7.834 -6.516 4.879
38 HE2 TYR 5 HE2 TYR 5 -8.541 -9.193 1.641
39 HH TYR 5 HH TYR 5 -10.016 -8.727 3.517
40 H GLY 6 H GLY 6 -2.098 -5.946 -0.204
41 HA2 GLY 6 HA2 GLY 6 0.310 -6.571 1.319
42 HA3 GLY 6 HA3 GLY 6 0.217 -6.249 -0.411
43 H GLN 7 H GLN 7 2.148 -4.965 0.987
44 HA GLN 7 HA GLN 7 1.138 -2.357 1.709
45 HB2 GLN 7 HB2 GLN 7 2.978 -3.321 3.047
46 HB3 GLN 7 HB3 GLN 7 4.000 -3.355 1.610
47 HG2 GLN 7 HG2 GLN 7 3.789 -0.908 1.434
48 HG3 GLN 7 HG3 GLN 7 2.839 -0.900 2.908
49 HE21 GLN 7 HE21 GLN 7 5.265 0.440 2.290
50 HE22 GLN 7 HE22 GLN 7 6.427 -0.015 3.456
51 H CYS 8 H CYS 8 0.580 -1.093 0.086
52 HA CYS 8 HA CYS 8 1.831 -1.100 -2.476
53 HB2 CYS 8 HB2 CYS 8 0.670 1.193 -2.582
54 HB3 CYS 8 HB3 CYS 8 -0.374 -0.260 -2.554
55 H GLY 9 H GLY 9 2.136 0.757 0.442
56 HA2 GLY 9 HA2 GLY 9 4.553 1.228 0.824
57 HA3 GLY 9 HA3 GLY 9 4.530 1.823 -0.820
58 H GLY 10 H GLY 10 4.922 2.778 2.044
59 HA2 GLY 10 HA2 GLY 10 3.413 5.232 1.854
60 HA3 GLY 10 HA3 GLY 10 4.291 4.603 3.233
61 H ILE 11 H ILE 11 5.431 6.620 3.274
62 HA ILE 11 HA ILE 11 7.260 7.504 1.348
63 HB ILE 11 HB ILE 11 7.579 7.560 4.372
64 HG12 ILE 11 HG12 ILE 11 6.338 9.644 2.555
65 HG13 ILE 11 HG13 ILE 11 5.428 8.545 3.581
66 HG21 ILE 11 HG21 ILE 11 8.992 9.529 3.970
67 HG22 ILE 11 HG22 ILE 11 8.819 9.292 2.231
68 HG23 ILE 11 HG23 ILE 11 9.653 8.080 3.209
69 HD11 ILE 11 HD11 ILE 11 7.361 10.650 4.519
70 HD12 ILE 11 HD12 ILE 11 6.461 9.548 5.557
71 HD13 ILE 11 HD13 ILE 11 5.601 10.741 4.581
72 H GLY 12 H GLY 12 9.189 6.657 0.673
73 HA2 GLY 12 HA2 GLY 12 11.281 5.559 1.089
74 HA3 GLY 12 HA3 GLY 12 10.483 4.677 2.390
75 H TYR 13 H TYR 13 8.230 4.430 0.251
76 HA TYR 13 HA TYR 13 9.369 1.989 -0.924
77 HB2 TYR 13 HB2 TYR 13 7.547 1.742 0.818
78 HB3 TYR 13 HB3 TYR 13 6.490 2.608 -0.270
79 HD1 TYR 13 HD1 TYR 13 7.152 -0.506 0.930
80 HD2 TYR 13 HD2 TYR 13 6.613 1.431 -2.808
81 HE1 TYR 13 HE1 TYR 13 6.443 -2.635 -0.068
82 HE2 TYR 13 HE2 TYR 13 5.907 -0.681 -3.811
83 HH TYR 13 HH TYR 13 4.893 -3.227 -2.178
84 H SER 14 H SER 14 9.694 2.246 -3.043
85 HA SER 14 HA SER 14 7.788 3.876 -4.507
86 HB2 SER 14 HB2 SER 14 9.969 4.358 -5.959
87 HB3 SER 14 HB3 SER 14 9.532 5.336 -4.556
88 HG SER 14 HG SER 14 11.328 4.811 -3.803
89 H GLY 15 H GLY 15 8.246 0.910 -4.093
90 HA2 GLY 15 HA2 GLY 15 8.637 -0.056 -6.808
91 HA3 GLY 15 HA3 GLY 15 8.192 -1.008 -5.394
92 HA PRO 16 HA PRO 16 4.172 -1.018 -7.554
93 HB2 PRO 16 HB2 PRO 16 3.581 -2.886 -5.335
94 HB3 PRO 16 HB3 PRO 16 3.360 -3.110 -7.071
95 HG2 PRO 16 HG2 PRO 16 5.305 -4.384 -5.798
96 HG3 PRO 16 HG3 PRO 16 5.560 -3.678 -7.413
97 HD2 PRO 16 HD2 PRO 16 6.375 -2.602 -4.727
98 HD3 PRO 16 HD3 PRO 16 7.319 -2.708 -6.230
99 H THR 17 H THR 17 4.034 1.187 -6.640
100 HA THR 17 HA THR 17 2.717 1.462 -4.090
101 HB THR 17 HB THR 17 2.656 3.935 -4.782
102 HG1 THR 17 HG1 THR 17 4.593 3.229 -6.709
103 HG21 THR 17 HG21 THR 17 4.373 3.031 -3.277
104 HG22 THR 17 HG22 THR 17 5.058 4.247 -4.354
105 HG23 THR 17 HG23 THR 17 5.333 2.535 -4.671
106 H VAL 18 H VAL 18 1.915 1.044 -7.300
107 HA VAL 18 HA VAL 18 -0.822 1.984 -7.031
108 HB VAL 18 HB VAL 18 0.565 0.559 -9.330
109 HG11 VAL 18 HG11 VAL 18 -1.336 1.267 -10.703
110 HG12 VAL 18 HG12 VAL 18 -2.115 1.946 -9.274
111 HG13 VAL 18 HG13 VAL 18 -1.848 0.207 -9.389
112 HG21 VAL 18 HG21 VAL 18 0.637 2.745 -10.414
113 HG22 VAL 18 HG22 VAL 18 1.509 2.770 -8.879
114 HG23 VAL 18 HG23 VAL 18 -0.097 3.479 -8.989
115 H CYS 19 H CYS 19 -2.451 0.632 -6.476
116 HA CYS 19 HA CYS 19 -1.746 -2.095 -5.816
117 HB2 CYS 19 HB2 CYS 19 -4.237 -0.487 -5.240
118 HB3 CYS 19 HB3 CYS 19 -3.887 -2.097 -4.629
119 H ALA 20 H ALA 20 -3.397 -3.755 -6.266
120 HA ALA 20 HA ALA 20 -4.096 -3.976 -8.965
121 HB1 ALA 20 HB1 ALA 20 -5.276 -5.400 -6.571
122 HB2 ALA 20 HB2 ALA 20 -3.861 -5.921 -7.491
123 HB3 ALA 20 HB3 ALA 20 -5.455 -5.898 -8.253
124 H SER 21 H SER 21 -6.077 -3.717 -10.011
125 HA SER 21 HA SER 21 -7.551 -1.462 -9.447
126 HB2 SER 21 HB2 SER 21 -7.450 -2.541 -11.668
127 HB3 SER 21 HB3 SER 21 -8.416 -3.880 -11.056
128 HG SER 21 HG SER 21 -9.626 -2.346 -12.209
129 H GLY 22 H GLY 22 -9.050 -1.015 -7.994
130 HA2 GLY 22 HA2 GLY 22 -11.193 -1.513 -7.057
131 HA3 GLY 22 HA3 GLY 22 -10.704 -3.202 -6.976
132 H THR 23 H THR 23 -7.997 -2.364 -6.029
133 HA THR 23 HA THR 23 -8.858 -2.041 -3.264
134 HB THR 23 HB THR 23 -6.644 -2.918 -2.593
135 HG1 THR 23 HG1 THR 23 -6.183 -2.800 -5.387
136 HG21 THR 23 HG21 THR 23 -8.019 -4.610 -4.672
137 HG22 THR 23 HG22 THR 23 -8.450 -4.492 -2.964
138 HG23 THR 23 HG23 THR 23 -6.907 -5.198 -3.435
139 H THR 24 H THR 24 -8.077 -0.484 -1.956
140 HA THR 24 HA THR 24 -6.972 1.839 -3.366
141 HB THR 24 HB THR 24 -7.737 3.063 -1.272
142 HG1 THR 24 HG1 THR 24 -8.674 0.472 -0.678
143 HG21 THR 24 HG21 THR 24 -10.081 3.130 -2.006
144 HG22 THR 24 HG22 THR 24 -9.783 1.703 -3.011
145 HG23 THR 24 HG23 THR 24 -8.943 3.218 -3.346
146 H CYS 25 H CYS 25 -4.999 2.645 -2.865
147 HA CYS 25 HA CYS 25 -3.467 1.286 -0.854
148 HB2 CYS 25 HB2 CYS 25 -2.332 2.006 -2.925
149 HB3 CYS 25 HB3 CYS 25 -2.766 3.677 -2.600
150 H GLN 26 H GLN 26 -3.942 1.758 1.145
151 HA GLN 26 HA GLN 26 -4.587 4.539 1.801
152 HB2 GLN 26 HB2 GLN 26 -5.236 2.006 3.309
153 HB3 GLN 26 HB3 GLN 26 -5.699 3.630 3.795
154 HG2 GLN 26 HG2 GLN 26 -7.061 3.862 1.790
155 HG3 GLN 26 HG3 GLN 26 -6.578 2.251 1.268
156 HE21 GLN 26 HE21 GLN 26 -8.649 1.514 1.248
157 HE22 GLN 26 HE22 GLN 26 -9.568 1.205 2.674
158 H VAL 27 H VAL 27 -3.007 5.604 2.688
159 HA VAL 27 HA VAL 27 -0.703 4.288 3.729
160 HB VAL 27 HB VAL 27 -1.400 7.257 3.836
161 HG11 VAL 27 HG11 VAL 27 1.245 5.889 4.099
162 HG12 VAL 27 HG12 VAL 27 0.343 6.690 5.385
163 HG13 VAL 27 HG13 VAL 27 0.984 7.634 4.039
164 HG21 VAL 27 HG21 VAL 27 0.177 5.756 1.749
165 HG22 VAL 27 HG22 VAL 27 -0.025 7.502 1.822
166 HG23 VAL 27 HG23 VAL 27 -1.418 6.466 1.522
167 H LEU 28 H LEU 28 -0.894 3.293 5.559
168 HA LEU 28 HA LEU 28 -2.814 4.094 7.596
169 HB2 LEU 28 HB2 LEU 28 -0.941 1.741 7.454
170 HB3 LEU 28 HB3 LEU 28 -2.223 1.949 8.626
171 HG LEU 28 HG LEU 28 -2.601 1.581 5.647
172 HD11 LEU 28 HD11 LEU 28 -1.871 -0.438 6.699
173 HD12 LEU 28 HD12 LEU 28 -3.578 -0.568 6.266
174 HD13 LEU 28 HD13 LEU 28 -3.108 -0.288 7.944
175 HD21 LEU 28 HD21 LEU 28 -4.975 1.360 6.210
176 HD22 LEU 28 HD22 LEU 28 -4.333 2.969 6.567
177 HD23 LEU 28 HD23 LEU 28 -4.584 1.803 7.878
178 H ASN 29 H ASN 29 0.594 3.450 7.293
179 HA ASN 29 HA ASN 29 1.140 5.272 9.541
180 HB2 ASN 29 HB2 ASN 29 2.847 2.923 8.570
181 HB3 ASN 29 HB3 ASN 29 3.270 4.027 9.860
182 HD21 ASN 29 HD21 ASN 29 3.061 1.173 9.973
183 HD22 ASN 29 HD22 ASN 29 1.884 0.815 11.188
184 HA PRO 30 HA PRO 30 3.025 7.725 6.459
185 HB2 PRO 30 HB2 PRO 30 5.718 7.571 7.517
186 HB3 PRO 30 HB3 PRO 30 4.717 9.004 7.296
187 HG2 PRO 30 HG2 PRO 30 5.208 8.050 9.777
188 HG3 PRO 30 HG3 PRO 30 3.645 8.767 9.349
189 HD2 PRO 30 HD2 PRO 30 4.404 5.905 9.671
190 HD3 PRO 30 HD3 PRO 30 2.883 6.706 10.091
191 H TYR 31 H TYR 31 4.832 4.918 7.371
192 HA TYR 31 HA TYR 31 6.095 4.805 4.723
193 HB2 TYR 31 HB2 TYR 31 6.769 3.200 7.189
194 HB3 TYR 31 HB3 TYR 31 7.706 3.302 5.705
195 HD1 TYR 31 HD1 TYR 31 6.901 4.914 8.866
196 HD2 TYR 31 HD2 TYR 31 8.937 5.403 5.163
197 HE1 TYR 31 HE1 TYR 31 8.149 6.799 9.802
198 HE2 TYR 31 HE2 TYR 31 10.183 7.296 6.095
199 HH TYR 31 HH TYR 31 10.314 7.932 9.373
200 H TYR 32 H TYR 32 3.762 3.220 6.779
201 HA TYR 32 HA TYR 32 3.700 0.915 4.975
202 HB2 TYR 32 HB2 TYR 32 3.926 0.327 7.354
203 HB3 TYR 32 HB3 TYR 32 2.436 1.190 7.712
204 HD1 TYR 32 HD1 TYR 32 0.328 0.036 7.615
205 HD2 TYR 32 HD2 TYR 32 3.779 -1.670 5.759
206 HE1 TYR 32 HE1 TYR 32 -0.894 -2.052 7.226
207 HE2 TYR 32 HE2 TYR 32 2.531 -3.747 5.370
208 HH TYR 32 HH TYR 32 -0.854 -3.980 5.772
209 H SER 33 H SER 33 2.348 1.091 3.423
210 HA SER 33 HA SER 33 -0.312 2.183 3.951
211 HB2 SER 33 HB2 SER 33 1.284 2.286 1.382
212 HB3 SER 33 HB3 SER 33 -0.312 3.010 1.653
213 HG SER 33 HG SER 33 1.704 4.302 1.801
214 H GLN 34 H GLN 34 -1.947 0.841 3.177
215 HA GLN 34 HA GLN 34 -0.965 -1.684 2.042
216 HB2 GLN 34 HB2 GLN 34 -1.518 -1.852 4.466
217 HB3 GLN 34 HB3 GLN 34 -3.161 -1.377 4.090
218 HG2 GLN 34 HG2 GLN 34 -3.481 -3.372 2.792
219 HG3 GLN 34 HG3 GLN 34 -1.799 -3.856 3.059
220 HE21 GLN 34 HE21 GLN 34 -2.240 -5.746 4.155
221 HE22 GLN 34 HE22 GLN 34 -3.020 -5.775 5.679
222 H CYS 35 H CYS 35 -2.329 -2.700 0.600
223 HA CYS 35 HA CYS 35 -4.239 -0.960 -0.724
224 HB2 CYS 35 HB2 CYS 35 -3.292 -3.739 -1.445
225 HB3 CYS 35 HB3 CYS 35 -4.265 -2.694 -2.466
226 H LEU 36 H LEU 36 -6.156 -0.942 0.221
227 HA LEU 36 HA LEU 36 -7.305 -3.495 1.061
228 HB2 LEU 36 HB2 LEU 36 -8.036 -0.711 1.993
229 HB3 LEU 36 HB3 LEU 36 -8.904 -2.163 2.429
230 HG LEU 36 HG LEU 36 -7.644 -1.717 4.287
231 HD11 LEU 36 HD11 LEU 36 -7.425 -4.008 3.721
232 HD12 LEU 36 HD12 LEU 36 -5.966 -3.422 4.522
233 HD13 LEU 36 HD13 LEU 36 -5.973 -3.668 2.779
234 HD21 LEU 36 HD21 LEU 36 -5.251 -1.109 2.567
235 HD22 LEU 36 HD22 LEU 36 -5.292 -1.090 4.332
236 HD23 LEU 36 HD23 LEU 36 -6.261 0.062 3.416
Start of MODEL 18
1 H1 THR 1 H1 THR 1 1.380 -3.786 -10.986
2 H2 THR 1 H2 THR 1 0.832 -5.166 -10.173
3 H3 THR 1 H3 THR 1 2.379 -4.557 -9.852
4 HA THR 1 HA THR 1 1.410 -2.606 -8.931
5 HB THR 1 HB THR 1 -1.079 -2.859 -8.438
6 HG1 THR 1 HG1 THR 1 -1.550 -4.106 -10.831
7 HG21 THR 1 HG21 THR 1 -0.190 -2.288 -11.272
8 HG22 THR 1 HG22 THR 1 -0.065 -1.185 -9.918
9 HG23 THR 1 HG23 THR 1 -1.665 -1.680 -10.504
10 H GLN 2 H GLN 2 0.072 -2.791 -6.681
11 HA GLN 2 HA GLN 2 1.273 -5.121 -5.375
12 HB2 GLN 2 HB2 GLN 2 1.660 -2.742 -4.547
13 HB3 GLN 2 HB3 GLN 2 -0.028 -2.766 -4.033
14 HG2 GLN 2 HG2 GLN 2 1.499 -3.374 -2.220
15 HG3 GLN 2 HG3 GLN 2 0.386 -4.682 -2.632
16 HE21 GLN 2 HE21 GLN 2 1.600 -6.345 -2.009
17 HE22 GLN 2 HE22 GLN 2 3.118 -6.797 -2.680
18 H SER 3 H SER 3 0.236 -6.653 -4.407
19 HA SER 3 HA SER 3 -2.409 -7.213 -5.187
20 HB2 SER 3 HB2 SER 3 -0.631 -8.572 -3.170
21 HB3 SER 3 HB3 SER 3 -2.043 -9.272 -3.965
22 HG SER 3 HG SER 3 -0.835 -8.629 -5.973
23 H HIS 4 H HIS 4 -4.056 -7.960 -3.604
24 HA HIS 4 HA HIS 4 -4.841 -5.848 -1.906
25 HB2 HIS 4 HB2 HIS 4 -6.326 -7.536 -3.179
26 HB3 HIS 4 HB3 HIS 4 -5.970 -8.652 -1.870
27 HD1 HIS 4 HD1 HIS 4 -8.710 -8.509 -1.568
28 HD2 HIS 4 HD2 HIS 4 -6.531 -5.135 -0.556
29 HE1 HIS 4 HE1 HIS 4 -10.292 -7.015 -0.342
30 HE2 HIS 4 HE2 HIS 4 -9.017 -4.852 -0.280
31 H TYR 5 H TYR 5 -4.521 -5.549 0.214
32 HA TYR 5 HA TYR 5 -3.859 -5.723 2.290
33 HB2 TYR 5 HB2 TYR 5 -3.779 -8.720 1.838
34 HB3 TYR 5 HB3 TYR 5 -3.421 -7.966 3.384
35 HD1 TYR 5 HD1 TYR 5 -6.047 -8.926 1.039
36 HD2 TYR 5 HD2 TYR 5 -5.219 -6.860 4.659
37 HE1 TYR 5 HE1 TYR 5 -8.436 -8.970 1.605
38 HE2 TYR 5 HE2 TYR 5 -7.608 -6.895 5.232
39 HH TYR 5 HH TYR 5 -9.728 -7.108 4.175
40 H GLY 6 H GLY 6 -2.046 -5.929 -0.222
41 HA2 GLY 6 HA2 GLY 6 0.453 -6.475 1.148
42 HA3 GLY 6 HA3 GLY 6 0.244 -6.118 -0.570
43 H GLN 7 H GLN 7 2.219 -4.802 0.641
44 HA GLN 7 HA GLN 7 1.227 -2.270 1.659
45 HB2 GLN 7 HB2 GLN 7 3.207 -3.384 2.687
46 HB3 GLN 7 HB3 GLN 7 4.065 -3.184 1.166
47 HG2 GLN 7 HG2 GLN 7 3.704 -0.713 1.405
48 HG3 GLN 7 HG3 GLN 7 3.101 -1.027 3.025
49 HE21 GLN 7 HE21 GLN 7 5.351 0.532 2.226
50 HE22 GLN 7 HE22 GLN 7 6.751 -0.135 2.950
51 H CYS 8 H CYS 8 0.440 -0.992 0.052
52 HA CYS 8 HA CYS 8 1.507 -0.851 -2.572
53 HB2 CYS 8 HB2 CYS 8 0.385 1.475 -2.499
54 HB3 CYS 8 HB3 CYS 8 -0.674 0.044 -2.429
55 H GLY 9 H GLY 9 2.017 1.036 0.323
56 HA2 GLY 9 HA2 GLY 9 4.493 1.352 0.576
57 HA3 GLY 9 HA3 GLY 9 4.398 1.998 -1.047
58 H GLY 10 H GLY 10 4.594 2.704 2.090
59 HA2 GLY 10 HA2 GLY 10 3.348 5.292 1.962
60 HA3 GLY 10 HA3 GLY 10 4.236 4.550 3.276
61 H ILE 11 H ILE 11 5.517 6.519 3.365
62 HA ILE 11 HA ILE 11 7.318 7.371 1.395
63 HB ILE 11 HB ILE 11 7.727 7.370 4.405
64 HG12 ILE 11 HG12 ILE 11 6.495 9.511 2.650
65 HG13 ILE 11 HG13 ILE 11 5.595 8.436 3.708
66 HG21 ILE 11 HG21 ILE 11 9.204 9.292 3.999
67 HG22 ILE 11 HG22 ILE 11 8.979 9.089 2.259
68 HG23 ILE 11 HG23 ILE 11 9.788 7.834 3.195
69 HD11 ILE 11 HD11 ILE 11 6.731 9.397 5.645
70 HD12 ILE 11 HD12 ILE 11 5.877 10.621 4.711
71 HD13 ILE 11 HD13 ILE 11 7.633 10.474 4.578
72 H GLY 12 H GLY 12 9.171 6.482 0.619
73 HA2 GLY 12 HA2 GLY 12 11.327 5.463 1.021
74 HA3 GLY 12 HA3 GLY 12 10.566 4.519 2.301
75 H TYR 13 H TYR 13 8.277 4.168 0.335
76 HA TYR 13 HA TYR 13 9.388 1.740 -0.793
77 HB2 TYR 13 HB2 TYR 13 7.250 1.811 0.586
78 HB3 TYR 13 HB3 TYR 13 6.517 2.676 -0.754
79 HD1 TYR 13 HD1 TYR 13 6.400 1.441 -3.015
80 HD2 TYR 13 HD2 TYR 13 7.258 -0.511 0.650
81 HE1 TYR 13 HE1 TYR 13 5.711 -0.701 -3.998
82 HE2 TYR 13 HE2 TYR 13 6.584 -2.660 -0.323
83 HH TYR 13 HH TYR 13 4.946 -3.324 -2.270
84 H SER 14 H SER 14 9.833 1.627 -2.933
85 HA SER 14 HA SER 14 8.690 3.659 -4.697
86 HB2 SER 14 HB2 SER 14 10.956 3.629 -5.848
87 HB3 SER 14 HB3 SER 14 10.899 4.401 -4.260
88 HG SER 14 HG SER 14 12.572 2.638 -4.933
89 H GLY 15 H GLY 15 8.342 0.633 -4.079
90 HA2 GLY 15 HA2 GLY 15 8.826 -0.538 -6.709
91 HA3 GLY 15 HA3 GLY 15 8.127 -1.351 -5.309
92 HA PRO 16 HA PRO 16 4.357 -0.692 -7.903
93 HB2 PRO 16 HB2 PRO 16 3.314 -2.691 -6.010
94 HB3 PRO 16 HB3 PRO 16 3.308 -2.721 -7.773
95 HG2 PRO 16 HG2 PRO 16 4.886 -4.347 -6.374
96 HG3 PRO 16 HG3 PRO 16 5.406 -3.608 -7.904
97 HD2 PRO 16 HD2 PRO 16 6.083 -2.809 -5.082
98 HD3 PRO 16 HD3 PRO 16 7.152 -2.923 -6.500
99 H THR 17 H THR 17 4.090 1.389 -6.969
100 HA THR 17 HA THR 17 2.935 1.517 -4.340
101 HB THR 17 HB THR 17 2.955 4.057 -4.987
102 HG1 THR 17 HG1 THR 17 5.131 3.564 -6.533
103 HG21 THR 17 HG21 THR 17 5.508 2.492 -4.610
104 HG22 THR 17 HG22 THR 17 4.422 2.998 -3.315
105 HG23 THR 17 HG23 THR 17 5.295 4.208 -4.261
106 H VAL 18 H VAL 18 1.805 0.837 -7.237
107 HA VAL 18 HA VAL 18 -0.770 2.162 -6.813
108 HB VAL 18 HB VAL 18 0.252 0.713 -9.279
109 HG11 VAL 18 HG11 VAL 18 -1.698 1.705 -10.421
110 HG12 VAL 18 HG12 VAL 18 -2.236 2.389 -8.887
111 HG13 VAL 18 HG13 VAL 18 -2.184 0.639 -9.100
112 HG21 VAL 18 HG21 VAL 18 1.488 2.780 -8.910
113 HG22 VAL 18 HG22 VAL 18 -0.026 3.679 -8.791
114 HG23 VAL 18 HG23 VAL 18 0.435 2.926 -10.318
115 H CYS 19 H CYS 19 -2.390 0.926 -6.110
116 HA CYS 19 HA CYS 19 -1.922 -1.839 -5.534
117 HB2 CYS 19 HB2 CYS 19 -4.336 -0.080 -5.129
118 HB3 CYS 19 HB3 CYS 19 -4.183 -1.732 -4.540
119 H ALA 20 H ALA 20 -3.290 -3.552 -6.213
120 HA ALA 20 HA ALA 20 -3.789 -3.623 -8.967
121 HB1 ALA 20 HB1 ALA 20 -4.819 -5.463 -6.809
122 HB2 ALA 20 HB2 ALA 20 -3.269 -5.617 -7.635
123 HB3 ALA 20 HB3 ALA 20 -4.774 -5.819 -8.535
124 H SER 21 H SER 21 -5.828 -4.086 -10.000
125 HA SER 21 HA SER 21 -7.657 -2.083 -9.872
126 HB2 SER 21 HB2 SER 21 -8.158 -4.906 -10.792
127 HB3 SER 21 HB3 SER 21 -8.991 -3.450 -11.337
128 HG SER 21 HG SER 21 -6.648 -2.791 -11.826
129 H GLY 22 H GLY 22 -9.022 -1.536 -8.296
130 HA2 GLY 22 HA2 GLY 22 -11.180 -1.995 -7.363
131 HA3 GLY 22 HA3 GLY 22 -10.671 -3.655 -7.120
132 H THR 23 H THR 23 -8.022 -2.144 -6.196
133 HA THR 23 HA THR 23 -9.043 -2.005 -3.448
134 HB THR 23 HB THR 23 -6.780 -2.703 -2.679
135 HG1 THR 23 HG1 THR 23 -6.299 -2.791 -5.494
136 HG21 THR 23 HG21 THR 23 -8.087 -4.527 -4.682
137 HG22 THR 23 HG22 THR 23 -8.522 -4.367 -2.981
138 HG23 THR 23 HG23 THR 23 -6.957 -5.040 -3.430
139 H THR 24 H THR 24 -8.080 -0.493 -1.952
140 HA THR 24 HA THR 24 -7.031 1.845 -3.363
141 HB THR 24 HB THR 24 -7.951 3.180 -1.454
142 HG1 THR 24 HG1 THR 24 -8.867 0.616 -0.664
143 HG21 THR 24 HG21 THR 24 -9.154 3.033 -3.557
144 HG22 THR 24 HG22 THR 24 -10.294 3.073 -2.207
145 HG23 THR 24 HG23 THR 24 -9.934 1.544 -3.025
146 H CYS 25 H CYS 25 -5.237 2.864 -2.609
147 HA CYS 25 HA CYS 25 -3.662 1.379 -0.725
148 HB2 CYS 25 HB2 CYS 25 -2.527 2.257 -2.710
149 HB3 CYS 25 HB3 CYS 25 -3.045 3.889 -2.295
150 H GLN 26 H GLN 26 -4.140 1.697 1.290
151 HA GLN 26 HA GLN 26 -4.922 4.359 2.188
152 HB2 GLN 26 HB2 GLN 26 -5.295 1.629 3.425
153 HB3 GLN 26 HB3 GLN 26 -5.796 3.142 4.179
154 HG2 GLN 26 HG2 GLN 26 -7.358 3.586 2.436
155 HG3 GLN 26 HG3 GLN 26 -6.766 2.236 1.481
156 HE21 GLN 26 HE21 GLN 26 -8.793 1.369 1.340
157 HE22 GLN 26 HE22 GLN 26 -9.577 0.571 2.647
158 H VAL 27 H VAL 27 -3.361 5.502 3.039
159 HA VAL 27 HA VAL 27 -0.954 4.215 3.918
160 HB VAL 27 HB VAL 27 -1.613 7.209 3.929
161 HG11 VAL 27 HG11 VAL 27 0.992 5.809 4.188
162 HG12 VAL 27 HG12 VAL 27 0.157 6.751 5.425
163 HG13 VAL 27 HG13 VAL 27 0.776 7.546 3.973
164 HG21 VAL 27 HG21 VAL 27 -0.150 5.595 1.851
165 HG22 VAL 27 HG22 VAL 27 -0.356 7.349 1.856
166 HG23 VAL 27 HG23 VAL 27 -1.758 6.298 1.667
167 H LEU 28 H LEU 28 -1.130 3.240 5.755
168 HA LEU 28 HA LEU 28 -2.913 4.100 7.863
169 HB2 LEU 28 HB2 LEU 28 -0.886 1.859 7.791
170 HB3 LEU 28 HB3 LEU 28 -2.130 2.073 9.007
171 HG LEU 28 HG LEU 28 -2.631 1.474 6.086
172 HD11 LEU 28 HD11 LEU 28 -1.677 -0.404 7.223
173 HD12 LEU 28 HD12 LEU 28 -3.384 -0.703 6.893
174 HD13 LEU 28 HD13 LEU 28 -2.857 -0.272 8.525
175 HD21 LEU 28 HD21 LEU 28 -4.925 1.114 6.799
176 HD22 LEU 28 HD22 LEU 28 -4.401 2.785 7.072
177 HD23 LEU 28 HD23 LEU 28 -4.471 1.638 8.423
178 H ASN 29 H ASN 29 0.512 3.585 7.460
179 HA ASN 29 HA ASN 29 1.084 5.514 9.598
180 HB2 ASN 29 HB2 ASN 29 2.715 3.106 8.699
181 HB3 ASN 29 HB3 ASN 29 3.215 4.283 9.900
182 HD21 ASN 29 HD21 ASN 29 1.281 1.525 9.239
183 HD22 ASN 29 HD22 ASN 29 0.818 1.188 10.850
184 HA PRO 30 HA PRO 30 3.075 7.802 6.419
185 HB2 PRO 30 HB2 PRO 30 5.762 7.647 7.553
186 HB3 PRO 30 HB3 PRO 30 4.774 9.074 7.248
187 HG2 PRO 30 HG2 PRO 30 5.199 8.211 9.761
188 HG3 PRO 30 HG3 PRO 30 3.642 8.903 9.270
189 HD2 PRO 30 HD2 PRO 30 4.410 6.044 9.658
190 HD3 PRO 30 HD3 PRO 30 2.896 6.855 10.087
191 H TYR 31 H TYR 31 4.943 4.966 7.414
192 HA TYR 31 HA TYR 31 6.048 4.812 4.708
193 HB2 TYR 31 HB2 TYR 31 6.926 3.270 7.162
194 HB3 TYR 31 HB3 TYR 31 7.731 3.365 5.614
195 HD1 TYR 31 HD1 TYR 31 9.160 5.188 5.064
196 HD2 TYR 31 HD2 TYR 31 6.942 5.285 8.695
197 HE1 TYR 31 HE1 TYR 31 10.516 7.067 5.837
198 HE2 TYR 31 HE2 TYR 31 8.300 7.174 9.473
199 HH TYR 31 HH TYR 31 10.599 8.030 9.000
200 H TYR 32 H TYR 32 3.897 3.250 6.931
201 HA TYR 32 HA TYR 32 3.714 0.914 5.173
202 HB2 TYR 32 HB2 TYR 32 3.923 0.419 7.630
203 HB3 TYR 32 HB3 TYR 32 2.432 1.299 7.878
204 HD1 TYR 32 HD1 TYR 32 0.461 0.015 8.144
205 HD2 TYR 32 HD2 TYR 32 3.633 -1.499 5.700
206 HE1 TYR 32 HE1 TYR 32 -0.788 -2.053 7.778
207 HE2 TYR 32 HE2 TYR 32 2.342 -3.561 5.330
208 HH TYR 32 HH TYR 32 -0.965 -3.833 6.230
209 H SER 33 H SER 33 2.326 1.033 3.649
210 HA SER 33 HA SER 33 -0.314 2.155 4.164
211 HB2 SER 33 HB2 SER 33 1.312 2.355 1.614
212 HB3 SER 33 HB3 SER 33 -0.282 3.075 1.903
213 HG SER 33 HG SER 33 1.311 3.876 3.846
214 H GLN 34 H GLN 34 -1.955 0.873 3.146
215 HA GLN 34 HA GLN 34 -0.933 -1.641 2.049
216 HB2 GLN 34 HB2 GLN 34 -1.442 -1.861 4.493
217 HB3 GLN 34 HB3 GLN 34 -3.105 -1.421 4.133
218 HG2 GLN 34 HG2 GLN 34 -3.403 -3.401 2.825
219 HG3 GLN 34 HG3 GLN 34 -1.705 -3.834 3.021
220 HE21 GLN 34 HE21 GLN 34 -2.125 -5.777 4.029
221 HE22 GLN 34 HE22 GLN 34 -2.807 -5.869 5.602
222 H CYS 35 H CYS 35 -2.300 -2.667 0.616
223 HA CYS 35 HA CYS 35 -4.264 -0.958 -0.658
224 HB2 CYS 35 HB2 CYS 35 -3.226 -3.693 -1.425
225 HB3 CYS 35 HB3 CYS 35 -4.301 -2.701 -2.400
226 H LEU 36 H LEU 36 -6.182 -0.982 0.291
227 HA LEU 36 HA LEU 36 -7.334 -3.574 0.983
228 HB2 LEU 36 HB2 LEU 36 -7.977 -0.870 2.179
229 HB3 LEU 36 HB3 LEU 36 -8.891 -2.322 2.486
230 HG LEU 36 HG LEU 36 -7.598 -2.044 4.376
231 HD11 LEU 36 HD11 LEU 36 -6.023 -3.861 4.472
232 HD12 LEU 36 HD12 LEU 36 -6.080 -3.994 2.715
233 HD13 LEU 36 HD13 LEU 36 -7.532 -4.302 3.671
234 HD21 LEU 36 HD21 LEU 36 -5.187 -1.486 2.668
235 HD22 LEU 36 HD22 LEU 36 -5.213 -1.581 4.432
236 HD23 LEU 36 HD23 LEU 36 -6.115 -0.311 3.601
Start of MODEL 19
1 H1 THR 1 H1 THR 1 3.430 -4.559 -8.910
2 H2 THR 1 H2 THR 1 2.824 -4.204 -10.477
3 H3 THR 1 H3 THR 1 2.331 -5.583 -9.668
4 HA THR 1 HA THR 1 1.719 -2.877 -8.776
5 HB THR 1 HB THR 1 -0.112 -4.933 -10.034
6 HG1 THR 1 HG1 THR 1 0.269 -3.841 -12.002
7 HG21 THR 1 HG21 THR 1 -0.212 -1.949 -9.653
8 HG22 THR 1 HG22 THR 1 -1.142 -3.126 -8.729
9 HG23 THR 1 HG23 THR 1 -1.471 -2.893 -10.459
10 H GLN 2 H GLN 2 0.792 -2.870 -6.727
11 HA GLN 2 HA GLN 2 1.412 -5.194 -5.195
12 HB2 GLN 2 HB2 GLN 2 1.832 -2.833 -4.496
13 HB3 GLN 2 HB3 GLN 2 0.103 -2.647 -4.303
14 HG2 GLN 2 HG2 GLN 2 1.241 -3.050 -2.172
15 HG3 GLN 2 HG3 GLN 2 0.057 -4.295 -2.554
16 HE21 GLN 2 HE21 GLN 2 0.747 -6.402 -2.794
17 HE22 GLN 2 HE22 GLN 2 2.381 -6.882 -2.532
18 H SER 3 H SER 3 0.119 -6.755 -4.576
19 HA SER 3 HA SER 3 -2.554 -6.885 -5.406
20 HB2 SER 3 HB2 SER 3 -2.279 -9.079 -4.115
21 HB3 SER 3 HB3 SER 3 -1.265 -8.810 -5.537
22 HG SER 3 HG SER 3 -0.473 -9.358 -3.139
23 H HIS 4 H HIS 4 -4.090 -7.935 -3.661
24 HA HIS 4 HA HIS 4 -4.879 -5.859 -1.933
25 HB2 HIS 4 HB2 HIS 4 -6.323 -7.667 -3.057
26 HB3 HIS 4 HB3 HIS 4 -5.792 -8.730 -1.765
27 HD1 HIS 4 HD1 HIS 4 -8.470 -8.812 -1.238
28 HD2 HIS 4 HD2 HIS 4 -6.547 -5.210 -0.503
29 HE1 HIS 4 HE1 HIS 4 -10.084 -7.437 0.068
30 HE2 HIS 4 HE2 HIS 4 -9.013 -5.152 0.050
31 H TYR 5 H TYR 5 -4.496 -5.496 0.175
32 HA TYR 5 HA TYR 5 -3.755 -5.613 2.240
33 HB2 TYR 5 HB2 TYR 5 -3.600 -8.589 1.764
34 HB3 TYR 5 HB3 TYR 5 -3.112 -7.855 3.286
35 HD1 TYR 5 HD1 TYR 5 -5.902 -8.880 1.207
36 HD2 TYR 5 HD2 TYR 5 -4.808 -6.717 4.702
37 HE1 TYR 5 HE1 TYR 5 -8.222 -8.974 1.986
38 HE2 TYR 5 HE2 TYR 5 -7.121 -6.814 5.495
39 HH TYR 5 HH TYR 5 -9.442 -8.852 4.096
40 H GLY 6 H GLY 6 -1.976 -5.722 -0.300
41 HA2 GLY 6 HA2 GLY 6 0.558 -6.214 1.015
42 HA3 GLY 6 HA3 GLY 6 0.312 -5.830 -0.688
43 H GLN 7 H GLN 7 2.257 -4.519 0.574
44 HA GLN 7 HA GLN 7 1.251 -1.969 1.515
45 HB2 GLN 7 HB2 GLN 7 3.084 -2.996 2.675
46 HB3 GLN 7 HB3 GLN 7 4.023 -3.063 1.174
47 HG2 GLN 7 HG2 GLN 7 4.080 -0.616 1.140
48 HG3 GLN 7 HG3 GLN 7 3.095 -0.566 2.601
49 HE21 GLN 7 HE21 GLN 7 5.695 0.513 2.132
50 HE22 GLN 7 HE22 GLN 7 6.744 -0.202 3.303
51 H CYS 8 H CYS 8 0.533 -0.722 -0.097
52 HA CYS 8 HA CYS 8 1.526 -0.708 -2.728
53 HB2 CYS 8 HB2 CYS 8 0.506 1.686 -2.583
54 HB3 CYS 8 HB3 CYS 8 -0.577 0.256 -2.710
55 H GLY 9 H GLY 9 2.014 1.660 -0.159
56 HA2 GLY 9 HA2 GLY 9 4.656 2.102 -0.750
57 HA3 GLY 9 HA3 GLY 9 3.741 3.124 -1.840
58 H GLY 10 H GLY 10 4.992 2.750 1.204
59 HA2 GLY 10 HA2 GLY 10 3.654 5.182 2.102
60 HA3 GLY 10 HA3 GLY 10 4.497 4.028 3.129
61 H ILE 11 H ILE 11 5.793 6.068 3.728
62 HA ILE 11 HA ILE 11 7.708 7.070 1.907
63 HB ILE 11 HB ILE 11 7.801 6.963 4.943
64 HG12 ILE 11 HG12 ILE 11 7.020 9.223 3.083
65 HG13 ILE 11 HG13 ILE 11 5.889 8.219 3.980
66 HG21 ILE 11 HG21 ILE 11 9.484 8.611 3.043
67 HG22 ILE 11 HG22 ILE 11 10.051 7.260 4.023
68 HG23 ILE 11 HG23 ILE 11 9.491 8.738 4.800
69 HD11 ILE 11 HD11 ILE 11 6.246 10.386 5.035
70 HD12 ILE 11 HD12 ILE 11 7.969 10.026 5.186
71 HD13 ILE 11 HD13 ILE 11 6.787 9.066 6.075
72 H GLY 12 H GLY 12 9.166 5.882 0.908
73 HA2 GLY 12 HA2 GLY 12 11.375 4.886 1.191
74 HA3 GLY 12 HA3 GLY 12 10.701 3.960 2.525
75 H TYR 13 H TYR 13 8.275 3.884 0.516
76 HA TYR 13 HA TYR 13 9.295 1.510 -0.892
77 HB2 TYR 13 HB2 TYR 13 7.532 1.128 0.884
78 HB3 TYR 13 HB3 TYR 13 6.432 2.089 -0.080
79 HD1 TYR 13 HD1 TYR 13 7.279 -1.146 0.765
80 HD2 TYR 13 HD2 TYR 13 6.363 1.151 -2.689
81 HE1 TYR 13 HE1 TYR 13 6.622 -3.195 -0.420
82 HE2 TYR 13 HE2 TYR 13 5.700 -0.884 -3.875
83 HH TYR 13 HH TYR 13 4.979 -3.672 -2.447
84 H SER 14 H SER 14 9.593 1.990 -2.966
85 HA SER 14 HA SER 14 7.760 3.864 -4.264
86 HB2 SER 14 HB2 SER 14 9.921 4.388 -5.628
87 HB3 SER 14 HB3 SER 14 9.682 5.130 -4.047
88 HG SER 14 HG SER 14 11.269 4.045 -3.275
89 H GLY 15 H GLY 15 8.195 0.795 -4.139
90 HA2 GLY 15 HA2 GLY 15 8.733 0.077 -6.894
91 HA3 GLY 15 HA3 GLY 15 8.239 -0.996 -5.590
92 HA PRO 16 HA PRO 16 4.285 -0.970 -7.902
93 HB2 PRO 16 HB2 PRO 16 3.644 -2.909 -5.770
94 HB3 PRO 16 HB3 PRO 16 3.535 -3.102 -7.525
95 HG2 PRO 16 HG2 PRO 16 5.443 -4.361 -6.182
96 HG3 PRO 16 HG3 PRO 16 5.794 -3.595 -7.742
97 HD2 PRO 16 HD2 PRO 16 6.358 -2.578 -4.985
98 HD3 PRO 16 HD3 PRO 16 7.414 -2.632 -6.415
99 H THR 17 H THR 17 4.050 1.188 -7.023
100 HA THR 17 HA THR 17 2.841 1.498 -4.444
101 HB THR 17 HB THR 17 2.762 3.945 -5.193
102 HG1 THR 17 HG1 THR 17 4.691 3.369 -7.106
103 HG21 THR 17 HG21 THR 17 4.524 3.025 -3.743
104 HG22 THR 17 HG22 THR 17 5.187 4.228 -4.850
105 HG23 THR 17 HG23 THR 17 5.422 2.509 -5.165
106 H VAL 18 H VAL 18 1.828 0.825 -7.503
107 HA VAL 18 HA VAL 18 -0.833 1.925 -7.167
108 HB VAL 18 HB VAL 18 0.346 0.303 -9.448
109 HG11 VAL 18 HG11 VAL 18 -2.251 1.846 -9.313
110 HG12 VAL 18 HG12 VAL 18 -2.094 0.091 -9.303
111 HG13 VAL 18 HG13 VAL 18 -1.610 1.009 -10.729
112 HG21 VAL 18 HG21 VAL 18 1.435 2.468 -9.232
113 HG22 VAL 18 HG22 VAL 18 -0.131 3.275 -9.208
114 HG23 VAL 18 HG23 VAL 18 0.407 2.439 -10.664
115 H CYS 19 H CYS 19 -2.496 0.676 -6.529
116 HA CYS 19 HA CYS 19 -1.887 -2.017 -5.688
117 HB2 CYS 19 HB2 CYS 19 -4.319 -0.286 -5.253
118 HB3 CYS 19 HB3 CYS 19 -4.068 -1.882 -4.557
119 H ALA 20 H ALA 20 -3.398 -3.686 -6.102
120 HA ALA 20 HA ALA 20 -4.135 -4.073 -8.756
121 HB1 ALA 20 HB1 ALA 20 -3.842 -5.912 -7.161
122 HB2 ALA 20 HB2 ALA 20 -5.424 -5.989 -7.941
123 HB3 ALA 20 HB3 ALA 20 -5.284 -5.384 -6.291
124 H SER 21 H SER 21 -6.003 -3.827 -9.837
125 HA SER 21 HA SER 21 -7.602 -1.637 -9.377
126 HB2 SER 21 HB2 SER 21 -7.251 -2.709 -11.578
127 HB3 SER 21 HB3 SER 21 -8.222 -4.083 -11.062
128 HG SER 21 HG SER 21 -10.001 -2.823 -11.026
129 H GLY 22 H GLY 22 -9.010 -1.305 -7.821
130 HA2 GLY 22 HA2 GLY 22 -11.221 -1.807 -6.967
131 HA3 GLY 22 HA3 GLY 22 -10.779 -3.506 -7.009
132 H THR 23 H THR 23 -8.040 -2.311 -5.907
133 HA THR 23 HA THR 23 -9.011 -2.290 -3.146
134 HB THR 23 HB THR 23 -6.790 -3.149 -2.449
135 HG1 THR 23 HG1 THR 23 -6.248 -2.926 -5.232
136 HG21 THR 23 HG21 THR 23 -8.073 -4.779 -4.638
137 HG22 THR 23 HG22 THR 23 -8.539 -4.763 -2.933
138 HG23 THR 23 HG23 THR 23 -6.971 -5.404 -3.408
139 H THR 24 H THR 24 -8.397 -0.612 -1.813
140 HA THR 24 HA THR 24 -7.297 1.630 -3.307
141 HB THR 24 HB THR 24 -8.146 3.008 -1.373
142 HG1 THR 24 HG1 THR 24 -8.994 0.437 -0.519
143 HG21 THR 24 HG21 THR 24 -10.497 2.862 -2.067
144 HG22 THR 24 HG22 THR 24 -10.155 1.317 -2.855
145 HG23 THR 24 HG23 THR 24 -9.395 2.797 -3.446
146 H CYS 25 H CYS 25 -5.382 2.515 -2.859
147 HA CYS 25 HA CYS 25 -3.764 1.318 -0.836
148 HB2 CYS 25 HB2 CYS 25 -2.659 2.083 -2.870
149 HB3 CYS 25 HB3 CYS 25 -3.247 3.723 -2.600
150 H GLN 26 H GLN 26 -4.050 1.789 1.179
151 HA GLN 26 HA GLN 26 -4.792 4.523 1.892
152 HB2 GLN 26 HB2 GLN 26 -5.317 1.928 3.347
153 HB3 GLN 26 HB3 GLN 26 -5.761 3.525 3.934
154 HG2 GLN 26 HG2 GLN 26 -7.291 3.832 2.086
155 HG3 GLN 26 HG3 GLN 26 -6.781 2.304 1.373
156 HE21 GLN 26 HE21 GLN 26 -8.869 1.509 1.405
157 HE22 GLN 26 HE22 GLN 26 -9.617 0.986 2.867
158 H VAL 27 H VAL 27 -3.156 5.595 2.720
159 HA VAL 27 HA VAL 27 -0.849 4.203 3.715
160 HB VAL 27 HB VAL 27 -1.360 7.228 3.716
161 HG11 VAL 27 HG11 VAL 27 1.180 5.710 3.981
162 HG12 VAL 27 HG12 VAL 27 0.364 6.645 5.233
163 HG13 VAL 27 HG13 VAL 27 1.030 7.459 3.815
164 HG21 VAL 27 HG21 VAL 27 -0.063 7.326 1.660
165 HG22 VAL 27 HG22 VAL 27 -1.516 6.348 1.438
166 HG23 VAL 27 HG23 VAL 27 0.051 5.566 1.636
167 H LEU 28 H LEU 28 -1.058 3.296 5.595
168 HA LEU 28 HA LEU 28 -3.010 4.199 7.554
169 HB2 LEU 28 HB2 LEU 28 -1.020 1.939 7.799
170 HB3 LEU 28 HB3 LEU 28 -2.447 2.188 8.774
171 HG LEU 28 HG LEU 28 -2.385 1.384 5.865
172 HD11 LEU 28 HD11 LEU 28 -3.223 -0.123 8.332
173 HD12 LEU 28 HD12 LEU 28 -1.758 -0.394 7.394
174 HD13 LEU 28 HD13 LEU 28 -3.336 -0.709 6.673
175 HD21 LEU 28 HD21 LEU 28 -4.301 2.822 6.317
176 HD22 LEU 28 HD22 LEU 28 -4.735 1.803 7.695
177 HD23 LEU 28 HD23 LEU 28 -4.801 1.147 6.057
178 H ASN 29 H ASN 29 0.417 3.703 7.320
179 HA ASN 29 HA ASN 29 0.899 5.507 9.588
180 HB2 ASN 29 HB2 ASN 29 2.573 3.131 8.685
181 HB3 ASN 29 HB3 ASN 29 2.908 4.188 10.047
182 HD21 ASN 29 HD21 ASN 29 1.043 1.586 8.854
183 HD22 ASN 29 HD22 ASN 29 0.445 1.023 10.363
184 HA PRO 30 HA PRO 30 3.102 7.722 6.509
185 HB2 PRO 30 HB2 PRO 30 5.691 7.615 7.820
186 HB3 PRO 30 HB3 PRO 30 4.704 9.029 7.457
187 HG2 PRO 30 HG2 PRO 30 4.959 8.201 10.002
188 HG3 PRO 30 HG3 PRO 30 3.419 8.824 9.394
189 HD2 PRO 30 HD2 PRO 30 4.273 5.975 9.794
190 HD3 PRO 30 HD3 PRO 30 2.731 6.733 10.200
191 H TYR 31 H TYR 31 4.948 4.941 7.724
192 HA TYR 31 HA TYR 31 6.265 4.786 5.114
193 HB2 TYR 31 HB2 TYR 31 6.863 3.137 7.583
194 HB3 TYR 31 HB3 TYR 31 7.817 3.270 6.127
195 HD1 TYR 31 HD1 TYR 31 9.238 5.166 5.728
196 HD2 TYR 31 HD2 TYR 31 6.879 4.993 9.267
197 HE1 TYR 31 HE1 TYR 31 10.578 6.957 6.710
198 HE2 TYR 31 HE2 TYR 31 8.229 6.772 10.250
199 HH TYR 31 HH TYR 31 10.279 8.688 8.461
200 H TYR 32 H TYR 32 3.888 3.214 7.105
201 HA TYR 32 HA TYR 32 3.817 1.004 5.190
202 HB2 TYR 32 HB2 TYR 32 3.970 0.311 7.598
203 HB3 TYR 32 HB3 TYR 32 2.419 1.076 7.862
204 HD1 TYR 32 HD1 TYR 32 0.347 -0.032 7.281
205 HD2 TYR 32 HD2 TYR 32 4.088 -1.666 6.043
206 HE1 TYR 32 HE1 TYR 32 -0.786 -2.081 6.547
207 HE2 TYR 32 HE2 TYR 32 2.950 -3.718 5.313
208 HH TYR 32 HH TYR 32 -0.453 -3.887 5.032
209 H SER 33 H SER 33 2.501 1.213 3.611
210 HA SER 33 HA SER 33 -0.183 2.301 4.079
211 HB2 SER 33 HB2 SER 33 1.395 2.185 1.494
212 HB3 SER 33 HB3 SER 33 -0.156 2.990 1.744
213 HG SER 33 HG SER 33 1.729 4.373 1.793
214 H GLN 34 H GLN 34 -1.880 1.033 2.940
215 HA GLN 34 HA GLN 34 -0.940 -1.559 1.990
216 HB2 GLN 34 HB2 GLN 34 -1.438 -1.720 4.437
217 HB3 GLN 34 HB3 GLN 34 -3.098 -1.269 4.074
218 HG2 GLN 34 HG2 GLN 34 -3.377 -3.259 2.742
219 HG3 GLN 34 HG3 GLN 34 -1.698 -3.714 3.032
220 HE21 GLN 34 HE21 GLN 34 -2.172 -5.627 4.056
221 HE22 GLN 34 HE22 GLN 34 -2.921 -5.674 5.601
222 H CYS 35 H CYS 35 -2.320 -2.555 0.580
223 HA CYS 35 HA CYS 35 -4.337 -0.856 -0.665
224 HB2 CYS 35 HB2 CYS 35 -3.308 -3.582 -1.484
225 HB3 CYS 35 HB3 CYS 35 -4.311 -2.518 -2.458
226 H LEU 36 H LEU 36 -6.261 -0.966 0.331
227 HA LEU 36 HA LEU 36 -7.276 -3.606 1.088
228 HB2 LEU 36 HB2 LEU 36 -8.050 -0.903 2.216
229 HB3 LEU 36 HB3 LEU 36 -8.871 -2.398 2.590
230 HG LEU 36 HG LEU 36 -7.552 -1.990 4.444
231 HD11 LEU 36 HD11 LEU 36 -5.961 -3.906 2.798
232 HD12 LEU 36 HD12 LEU 36 -7.373 -4.261 3.792
233 HD13 LEU 36 HD13 LEU 36 -5.877 -3.725 4.547
234 HD21 LEU 36 HD21 LEU 36 -5.188 -1.384 4.412
235 HD22 LEU 36 HD22 LEU 36 -6.189 -0.187 3.589
236 HD23 LEU 36 HD23 LEU 36 -5.226 -1.330 2.649
Start of MODEL 20
1 H1 THR 1 H1 THR 1 3.141 -4.346 -9.515
2 H2 THR 1 H2 THR 1 2.149 -3.743 -10.740
3 H3 THR 1 H3 THR 1 1.797 -5.222 -10.009
4 HA THR 1 HA THR 1 1.709 -2.637 -8.660
5 HB THR 1 HB THR 1 -0.711 -3.215 -8.511
6 HG1 THR 1 HG1 THR 1 -1.462 -4.749 -10.125
7 HG21 THR 1 HG21 THR 1 0.341 -2.863 -11.323
8 HG22 THR 1 HG22 THR 1 0.217 -1.598 -10.124
9 HG23 THR 1 HG23 THR 1 -1.255 -2.370 -10.735
10 H GLN 2 H GLN 2 0.171 -3.149 -6.631
11 HA GLN 2 HA GLN 2 1.436 -5.420 -5.280
12 HB2 GLN 2 HB2 GLN 2 1.718 -3.076 -4.363
13 HB3 GLN 2 HB3 GLN 2 -0.015 -3.096 -4.031
14 HG2 GLN 2 HG2 GLN 2 1.216 -3.726 -2.052
15 HG3 GLN 2 HG3 GLN 2 0.274 -5.092 -2.659
16 HE21 GLN 2 HE21 GLN 2 1.469 -6.744 -1.969
17 HE22 GLN 2 HE22 GLN 2 3.116 -7.025 -2.393
18 H SER 3 H SER 3 0.222 -6.960 -4.313
19 HA SER 3 HA SER 3 -2.373 -7.412 -5.272
20 HB2 SER 3 HB2 SER 3 -2.120 -9.363 -3.663
21 HB3 SER 3 HB3 SER 3 -0.925 -9.245 -4.957
22 HG SER 3 HG SER 3 -0.117 -9.650 -2.780
23 H HIS 4 H HIS 4 -4.135 -7.987 -3.751
24 HA HIS 4 HA HIS 4 -4.855 -5.835 -2.091
25 HB2 HIS 4 HB2 HIS 4 -6.374 -7.551 -3.272
26 HB3 HIS 4 HB3 HIS 4 -6.010 -8.621 -1.924
27 HD1 HIS 4 HD1 HIS 4 -8.794 -8.319 -1.838
28 HD2 HIS 4 HD2 HIS 4 -6.442 -5.182 -0.528
29 HE1 HIS 4 HE1 HIS 4 -10.327 -6.800 -0.565
30 HE2 HIS 4 HE2 HIS 4 -8.916 -4.748 -0.354
31 H TYR 5 H TYR 5 -4.512 -5.472 0.053
32 HA TYR 5 HA TYR 5 -3.899 -5.644 2.139
33 HB2 TYR 5 HB2 TYR 5 -3.880 -8.640 1.716
34 HB3 TYR 5 HB3 TYR 5 -3.520 -7.886 3.267
35 HD1 TYR 5 HD1 TYR 5 -5.303 -6.509 4.374
36 HD2 TYR 5 HD2 TYR 5 -6.103 -8.965 0.999
37 HE1 TYR 5 HE1 TYR 5 -7.702 -6.408 4.875
38 HE2 TYR 5 HE2 TYR 5 -8.506 -8.866 1.495
39 HH TYR 5 HH TYR 5 -9.940 -8.453 3.395
40 H GLY 6 H GLY 6 -2.018 -5.877 -0.316
41 HA2 GLY 6 HA2 GLY 6 0.428 -6.423 1.154
42 HA3 GLY 6 HA3 GLY 6 0.288 -6.107 -0.574
43 H GLN 7 H GLN 7 2.197 -4.768 0.735
44 HA GLN 7 HA GLN 7 1.184 -2.192 1.565
45 HB2 GLN 7 HB2 GLN 7 3.114 -3.191 2.711
46 HB3 GLN 7 HB3 GLN 7 4.033 -3.150 1.214
47 HG2 GLN 7 HG2 GLN 7 3.845 -0.696 1.204
48 HG3 GLN 7 HG3 GLN 7 2.970 -0.771 2.730
49 HE21 GLN 7 HE21 GLN 7 5.431 0.565 2.119
50 HE22 GLN 7 HE22 GLN 7 6.636 -0.077 3.151
51 H CYS 8 H CYS 8 0.575 -0.801 0.081
52 HA CYS 8 HA CYS 8 1.496 -0.807 -2.628
53 HB2 CYS 8 HB2 CYS 8 0.424 1.561 -2.495
54 HB3 CYS 8 HB3 CYS 8 -0.644 0.130 -2.489
55 H GLY 9 H GLY 9 1.947 1.485 0.030
56 HA2 GLY 9 HA2 GLY 9 4.584 1.712 -0.073
57 HA3 GLY 9 HA3 GLY 9 4.089 2.614 -1.493
58 H GLY 10 H GLY 10 5.019 2.882 1.516
59 HA2 GLY 10 HA2 GLY 10 3.462 5.291 2.011
60 HA3 GLY 10 HA3 GLY 10 4.399 4.390 3.197
61 H ILE 11 H ILE 11 5.620 6.406 3.564
62 HA ILE 11 HA ILE 11 7.374 7.454 1.612
63 HB ILE 11 HB ILE 11 7.780 7.288 4.613
64 HG12 ILE 11 HG12 ILE 11 6.597 9.548 2.989
65 HG13 ILE 11 HG13 ILE 11 5.660 8.408 3.948
66 HG21 ILE 11 HG21 ILE 11 9.270 9.224 4.314
67 HG22 ILE 11 HG22 ILE 11 9.051 9.104 2.563
68 HG23 ILE 11 HG23 ILE 11 9.834 7.795 3.451
69 HD11 ILE 11 HD11 ILE 11 6.778 9.187 5.966
70 HD12 ILE 11 HD12 ILE 11 5.979 10.512 5.115
71 HD13 ILE 11 HD13 ILE 11 7.729 10.317 5.006
72 H GLY 12 H GLY 12 9.098 6.522 0.692
73 HA2 GLY 12 HA2 GLY 12 11.271 5.507 1.016
74 HA3 GLY 12 HA3 GLY 12 10.534 4.502 2.261
75 H TYR 13 H TYR 13 8.187 4.291 0.286
76 HA TYR 13 HA TYR 13 9.234 1.846 -0.901
77 HB2 TYR 13 HB2 TYR 13 7.017 2.056 0.371
78 HB3 TYR 13 HB3 TYR 13 6.408 2.899 -1.044
79 HD1 TYR 13 HD1 TYR 13 6.506 -0.110 0.615
80 HD2 TYR 13 HD2 TYR 13 6.843 1.433 -3.321
81 HE1 TYR 13 HE1 TYR 13 5.819 -2.283 -0.282
82 HE2 TYR 13 HE2 TYR 13 6.157 -0.740 -4.230
83 HH TYR 13 HH TYR 13 4.673 -3.030 -2.483
84 H SER 14 H SER 14 9.813 1.754 -2.999
85 HA SER 14 HA SER 14 8.902 3.882 -4.799
86 HB2 SER 14 HB2 SER 14 11.208 3.448 -5.878
87 HB3 SER 14 HB3 SER 14 11.099 4.396 -4.395
88 HG SER 14 HG SER 14 12.666 2.478 -4.640
89 H GLY 15 H GLY 15 8.704 0.655 -4.229
90 HA2 GLY 15 HA2 GLY 15 8.961 -0.292 -6.952
91 HA3 GLY 15 HA3 GLY 15 8.431 -1.227 -5.557
92 HA PRO 16 HA PRO 16 4.525 -0.857 -7.903
93 HB2 PRO 16 HB2 PRO 16 3.702 -2.875 -5.922
94 HB3 PRO 16 HB3 PRO 16 3.616 -2.940 -7.683
95 HG2 PRO 16 HG2 PRO 16 5.386 -4.397 -6.353
96 HG3 PRO 16 HG3 PRO 16 5.794 -3.614 -7.896
97 HD2 PRO 16 HD2 PRO 16 6.468 -2.757 -5.091
98 HD3 PRO 16 HD3 PRO 16 7.508 -2.792 -6.534
99 H THR 17 H THR 17 4.016 1.227 -7.052
100 HA THR 17 HA THR 17 2.861 1.389 -4.411
101 HB THR 17 HB THR 17 2.683 3.852 -5.100
102 HG1 THR 17 HG1 THR 17 3.155 4.243 -7.085
103 HG21 THR 17 HG21 THR 17 5.082 4.227 -4.691
104 HG22 THR 17 HG22 THR 17 5.402 2.526 -5.049
105 HG23 THR 17 HG23 THR 17 4.452 2.959 -3.630
106 H VAL 18 H VAL 18 1.790 0.611 -7.416
107 HA VAL 18 HA VAL 18 -0.836 1.835 -7.104
108 HB VAL 18 HB VAL 18 0.302 0.183 -9.381
109 HG11 VAL 18 HG11 VAL 18 -1.639 0.943 -10.682
110 HG12 VAL 18 HG12 VAL 18 -2.296 1.707 -9.231
111 HG13 VAL 18 HG13 VAL 18 -2.103 -0.041 -9.295
112 HG21 VAL 18 HG21 VAL 18 -0.144 3.158 -9.203
113 HG22 VAL 18 HG22 VAL 18 0.426 2.280 -10.625
114 HG23 VAL 18 HG23 VAL 18 1.413 2.337 -9.163
115 H CYS 19 H CYS 19 -2.506 0.676 -6.420
116 HA CYS 19 HA CYS 19 -2.001 -2.026 -5.541
117 HB2 CYS 19 HB2 CYS 19 -4.339 -0.176 -5.145
118 HB3 CYS 19 HB3 CYS 19 -4.196 -1.780 -4.439
119 H ALA 20 H ALA 20 -3.541 -3.691 -5.899
120 HA ALA 20 HA ALA 20 -4.196 -4.305 -8.489
121 HB1 ALA 20 HB1 ALA 20 -4.073 -5.943 -6.690
122 HB2 ALA 20 HB2 ALA 20 -5.641 -6.048 -7.498
123 HB3 ALA 20 HB3 ALA 20 -5.503 -5.244 -5.939
124 H SER 21 H SER 21 -6.234 -4.429 -9.581
125 HA SER 21 HA SER 21 -7.636 -2.108 -9.818
126 HB2 SER 21 HB2 SER 21 -8.676 -4.867 -10.420
127 HB3 SER 21 HB3 SER 21 -9.088 -3.362 -11.238
128 HG SER 21 HG SER 21 -7.281 -5.017 -11.918
129 H GLY 22 H GLY 22 -8.793 -1.146 -8.209
130 HA2 GLY 22 HA2 GLY 22 -10.985 -0.976 -7.281
131 HA3 GLY 22 HA3 GLY 22 -10.988 -2.725 -7.100
132 H THR 23 H THR 23 -8.086 -2.249 -6.074
133 HA THR 23 HA THR 23 -9.020 -1.972 -3.334
134 HB THR 23 HB THR 23 -6.876 -2.956 -2.632
135 HG1 THR 23 HG1 THR 23 -6.250 -2.658 -5.389
136 HG21 THR 23 HG21 THR 23 -7.086 -5.159 -3.689
137 HG22 THR 23 HG22 THR 23 -8.101 -4.451 -4.947
138 HG23 THR 23 HG23 THR 23 -8.664 -4.487 -3.278
139 H THR 24 H THR 24 -8.249 -0.410 -1.928
140 HA THR 24 HA THR 24 -7.096 1.855 -3.345
141 HB THR 24 HB THR 24 -7.987 3.202 -1.419
142 HG1 THR 24 HG1 THR 24 -8.872 0.638 -0.616
143 HG21 THR 24 HG21 THR 24 -10.318 3.123 -2.185
144 HG22 THR 24 HG22 THR 24 -9.995 1.574 -2.974
145 HG23 THR 24 HG23 THR 24 -9.183 3.034 -3.537
146 H CYS 25 H CYS 25 -5.232 2.786 -2.700
147 HA CYS 25 HA CYS 25 -3.704 1.392 -0.708
148 HB2 CYS 25 HB2 CYS 25 -2.500 2.214 -2.683
149 HB3 CYS 25 HB3 CYS 25 -3.023 3.859 -2.331
150 H GLN 26 H GLN 26 -3.903 1.828 1.315
151 HA GLN 26 HA GLN 26 -4.704 4.530 2.104
152 HB2 GLN 26 HB2 GLN 26 -5.241 1.903 3.491
153 HB3 GLN 26 HB3 GLN 26 -5.699 3.484 4.100
154 HG2 GLN 26 HG2 GLN 26 -7.167 3.825 2.197
155 HG3 GLN 26 HG3 GLN 26 -6.683 2.267 1.531
156 HE21 GLN 26 HE21 GLN 26 -8.740 1.490 1.556
157 HE22 GLN 26 HE22 GLN 26 -9.566 1.039 3.004
158 H VAL 27 H VAL 27 -3.140 5.573 3.023
159 HA VAL 27 HA VAL 27 -0.796 4.213 3.937
160 HB VAL 27 HB VAL 27 -1.453 7.204 4.003
161 HG11 VAL 27 HG11 VAL 27 1.103 5.766 4.416
162 HG12 VAL 27 HG12 VAL 27 0.237 6.777 5.577
163 HG13 VAL 27 HG13 VAL 27 0.971 7.502 4.141
164 HG21 VAL 27 HG21 VAL 27 -1.458 6.334 1.731
165 HG22 VAL 27 HG22 VAL 27 0.131 5.623 1.999
166 HG23 VAL 27 HG23 VAL 27 -0.062 7.377 2.015
167 H LEU 28 H LEU 28 -1.178 3.094 5.675
168 HA LEU 28 HA LEU 28 -2.970 3.870 7.795
169 HB2 LEU 28 HB2 LEU 28 -1.017 1.573 7.672
170 HB3 LEU 28 HB3 LEU 28 -2.303 1.756 8.844
171 HG LEU 28 HG LEU 28 -2.662 1.295 5.879
172 HD11 LEU 28 HD11 LEU 28 -3.544 -0.875 6.563
173 HD12 LEU 28 HD12 LEU 28 -3.144 -0.505 8.242
174 HD13 LEU 28 HD13 LEU 28 -1.861 -0.674 7.048
175 HD21 LEU 28 HD21 LEU 28 -4.688 1.520 8.088
176 HD22 LEU 28 HD22 LEU 28 -5.030 1.024 6.428
177 HD23 LEU 28 HD23 LEU 28 -4.454 2.662 6.762
178 H ASN 29 H ASN 29 0.426 3.597 7.312
179 HA ASN 29 HA ASN 29 0.953 5.358 9.587
180 HB2 ASN 29 HB2 ASN 29 2.576 2.923 8.708
181 HB3 ASN 29 HB3 ASN 29 3.180 4.182 9.771
182 HD21 ASN 29 HD21 ASN 29 1.082 1.472 9.470
183 HD22 ASN 29 HD22 ASN 29 0.785 1.237 11.140
184 HA PRO 30 HA PRO 30 2.821 7.705 6.382
185 HB2 PRO 30 HB2 PRO 30 5.439 7.790 7.703
186 HB3 PRO 30 HB3 PRO 30 4.378 9.131 7.265
187 HG2 PRO 30 HG2 PRO 30 4.687 8.392 9.835
188 HG3 PRO 30 HG3 PRO 30 3.133 8.975 9.216
189 HD2 PRO 30 HD2 PRO 30 4.009 6.171 9.796
190 HD3 PRO 30 HD3 PRO 30 2.427 6.915 10.047
191 H TYR 31 H TYR 31 4.656 5.026 7.612
192 HA TYR 31 HA TYR 31 6.023 4.769 5.033
193 HB2 TYR 31 HB2 TYR 31 6.651 3.469 7.684
194 HB3 TYR 31 HB3 TYR 31 7.592 3.283 6.207
195 HD1 TYR 31 HD1 TYR 31 6.625 5.647 8.876
196 HD2 TYR 31 HD2 TYR 31 9.078 5.007 5.467
197 HE1 TYR 31 HE1 TYR 31 7.916 7.624 9.455
198 HE2 TYR 31 HE2 TYR 31 10.378 7.002 6.033
199 HH TYR 31 HH TYR 31 10.153 8.487 9.039
200 H TYR 32 H TYR 32 3.660 3.208 7.094
201 HA TYR 32 HA TYR 32 3.717 0.894 5.298
202 HB2 TYR 32 HB2 TYR 32 3.764 0.403 7.817
203 HB3 TYR 32 HB3 TYR 32 2.130 1.043 7.860
204 HD1 TYR 32 HD1 TYR 32 4.194 -1.633 6.356
205 HD2 TYR 32 HD2 TYR 32 0.243 -0.275 7.206
206 HE1 TYR 32 HE1 TYR 32 3.297 -3.811 5.663
207 HE2 TYR 32 HE2 TYR 32 -0.649 -2.464 6.522
208 HH TYR 32 HH TYR 32 1.301 -5.175 6.094
209 H SER 33 H SER 33 2.379 1.010 3.676
210 HA SER 33 HA SER 33 -0.276 2.129 4.159
211 HB2 SER 33 HB2 SER 33 1.353 2.361 1.627
212 HB3 SER 33 HB3 SER 33 -0.202 3.135 1.971
213 HG SER 33 HG SER 33 1.447 3.760 3.934
214 H GLN 34 H GLN 34 -1.917 0.836 3.301
215 HA GLN 34 HA GLN 34 -0.947 -1.657 2.098
216 HB2 GLN 34 HB2 GLN 34 -1.525 -1.856 4.527
217 HB3 GLN 34 HB3 GLN 34 -3.168 -1.393 4.117
218 HG2 GLN 34 HG2 GLN 34 -3.453 -3.360 2.799
219 HG3 GLN 34 HG3 GLN 34 -1.765 -3.831 3.057
220 HE21 GLN 34 HE21 GLN 34 -2.206 -5.739 4.064
221 HE22 GLN 34 HE22 GLN 34 -2.956 -5.834 5.610
222 H CYS 35 H CYS 35 -2.314 -2.631 0.648
223 HA CYS 35 HA CYS 35 -4.221 -0.878 -0.663
224 HB2 CYS 35 HB2 CYS 35 -3.201 -3.622 -1.415
225 HB3 CYS 35 HB3 CYS 35 -4.252 -2.625 -2.411
226 H LEU 36 H LEU 36 -6.153 -0.884 0.251
227 HA LEU 36 HA LEU 36 -7.346 -3.451 0.984
228 HB2 LEU 36 HB2 LEU 36 -8.038 -0.688 2.021
229 HB3 LEU 36 HB3 LEU 36 -8.934 -2.138 2.394
230 HG LEU 36 HG LEU 36 -7.673 -1.725 4.295
231 HD11 LEU 36 HD11 LEU 36 -6.131 -3.761 2.774
232 HD12 LEU 36 HD12 LEU 36 -7.580 -4.016 3.741
233 HD13 LEU 36 HD13 LEU 36 -6.074 -3.514 4.516
234 HD21 LEU 36 HD21 LEU 36 -5.241 -1.253 2.594
235 HD22 LEU 36 HD22 LEU 36 -5.294 -1.237 4.358
236 HD23 LEU 36 HD23 LEU 36 -6.185 -0.025 3.438
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