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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|
25624 |
2kak   |
16025 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 31 H GLY 31 20.797 -0.611 -4.354
2 HA2 GLY 31 HA2 GLY 31 19.506 0.838 -5.851
3 HA3 GLY 31 HA3 GLY 31 19.003 -0.852 -6.009
4 H GLU 32 H GLU 32 16.971 -1.402 -5.532
5 HA GLU 32 HA GLU 32 14.918 0.514 -5.206
6 HB2 GLU 32 HB2 GLU 32 15.065 -1.729 -6.471
7 HB3 GLU 32 HB3 GLU 32 14.737 -2.521 -4.932
8 HG2 GLU 32 HG2 GLU 32 12.514 -1.524 -4.850
9 HG3 GLU 32 HG3 GLU 32 12.927 -0.366 -6.113
10 H HIS 33 H HIS 33 13.060 -0.862 -3.503
11 HA HIS 33 HA HIS 33 14.165 -0.972 -0.830
12 HB2 HIS 33 HB2 HIS 33 13.091 1.469 -1.782
13 HB3 HIS 33 HB3 HIS 33 11.792 0.724 -0.864
14 HD2 HIS 33 HD2 HIS 33 15.556 0.404 0.032
15 HE1 HIS 33 HE1 HIS 33 13.864 2.872 3.013
16 HE2 HIS 33 HE2 HIS 33 15.947 1.582 2.321
17 H THR 34 H THR 34 12.050 -1.486 0.775
18 HA THR 34 HA THR 34 10.780 -3.719 -0.639
19 HB THR 34 HB THR 34 10.277 -2.634 2.151
20 HG1 THR 34 HG1 THR 34 12.442 -3.159 1.927
21 HG21 THR 34 HG21 THR 34 8.576 -4.174 1.704
22 HG22 THR 34 HG22 THR 34 9.771 -5.097 2.577
23 HG23 THR 34 HG23 THR 34 9.655 -5.288 0.809
24 H THR 35 H THR 35 9.105 -3.390 -1.896
25 HA THR 35 HA THR 35 7.285 -1.059 -1.607
26 HB THR 35 HB THR 35 7.303 -1.013 -4.164
27 HG1 THR 35 HG1 THR 35 8.193 -2.898 -4.744
28 HG21 THR 35 HG21 THR 35 10.033 -0.411 -2.939
29 HG22 THR 35 HG22 THR 35 8.578 0.595 -2.781
30 HG23 THR 35 HG23 THR 35 9.301 0.326 -4.380
31 H CYS 36 H CYS 36 5.217 -1.444 -2.477
32 HA CYS 36 HA CYS 36 4.196 -4.105 -2.265
33 HB2 CYS 36 HB2 CYS 36 3.035 -1.744 -2.225
34 HB3 CYS 36 HB3 CYS 36 3.112 -1.832 -3.941
35 H GLY 37 H GLY 37 4.100 -5.746 -3.769
36 HA2 GLY 37 HA2 GLY 37 5.690 -5.919 -5.912
37 HA3 GLY 37 HA3 GLY 37 4.200 -6.834 -5.774
38 H CYS 38 H CYS 38 2.663 -4.175 -5.954
39 HA CYS 38 HA CYS 38 2.250 -4.206 -8.801
40 HB2 CYS 38 HB2 CYS 38 0.701 -2.465 -8.493
41 HB3 CYS 38 HB3 CYS 38 0.488 -3.569 -7.264
42 H GLY 39 H GLY 39 4.714 -2.920 -6.986
43 HA2 GLY 39 HA2 GLY 39 6.698 -2.057 -7.533
44 HA3 GLY 39 HA3 GLY 39 6.054 -1.471 -9.107
45 H GLU 40 H GLU 40 5.072 -0.996 -5.565
46 HA GLU 40 HA GLU 40 5.687 1.864 -5.830
47 HB2 GLU 40 HB2 GLU 40 3.607 1.851 -6.910
48 HB3 GLU 40 HB3 GLU 40 3.049 0.460 -6.016
49 HG2 GLU 40 HG2 GLU 40 2.562 1.792 -4.023
50 HG3 GLU 40 HG3 GLU 40 3.120 3.241 -4.880
51 H HIS 41 H HIS 41 6.196 2.650 -3.875
52 HA HIS 41 HA HIS 41 6.402 1.167 -1.514
53 HB2 HIS 41 HB2 HIS 41 6.460 4.082 -2.294
54 HB3 HIS 41 HB3 HIS 41 6.221 3.711 -0.607
55 HD1 HIS 41 HD1 HIS 41 8.992 3.064 -3.307
56 HD2 HIS 41 HD2 HIS 41 8.223 3.148 0.836
57 HE1 HIS 41 HE1 HIS 41 11.277 2.699 -2.089
58 H CYS 42 H CYS 42 4.904 0.591 0.035
59 HA CYS 42 HA CYS 42 2.406 2.042 0.362
60 HB2 CYS 42 HB2 CYS 42 1.923 0.468 -1.467
61 HB3 CYS 42 HB3 CYS 42 2.435 -0.880 -0.429
62 H GLY 43 H GLY 43 1.415 1.438 2.481
63 HA2 GLY 43 HA2 GLY 43 3.297 0.900 4.474
64 HA3 GLY 43 HA3 GLY 43 1.548 0.815 4.683
65 H CYS 44 H CYS 44 1.550 -1.301 2.508
66 HA CYS 44 HA CYS 44 1.670 -3.609 4.230
67 HB2 CYS 44 HB2 CYS 44 0.756 -4.751 2.324
68 HB3 CYS 44 HB3 CYS 44 -0.005 -3.134 2.451
69 H ASN 45 H ASN 45 4.210 -1.965 2.983
70 HA ASN 45 HA ASN 45 5.945 -4.308 2.764
71 HB2 ASN 45 HB2 ASN 45 5.386 -2.280 0.620
72 HB3 ASN 45 HB3 ASN 45 7.050 -2.807 0.841
73 HD21 ASN 45 HD21 ASN 45 7.640 -5.033 0.468
74 HD22 ASN 45 HD22 ASN 45 6.604 -6.073 -0.441
75 HA PRO 46 HA PRO 46 7.327 -0.844 5.513
76 HB2 PRO 46 HB2 PRO 46 8.405 -2.351 7.505
77 HB3 PRO 46 HB3 PRO 46 6.648 -2.080 7.364
78 HG2 PRO 46 HG2 PRO 46 8.194 -4.484 6.374
79 HG3 PRO 46 HG3 PRO 46 6.715 -4.461 7.392
80 HD2 PRO 46 HD2 PRO 46 6.583 -4.745 4.697
81 HD3 PRO 46 HD3 PRO 46 5.364 -3.769 5.563
82 H CYS 47 H CYS 47 9.337 0.011 5.422
83 HA CYS 47 HA CYS 47 11.675 -1.542 4.497
84 HB2 CYS 47 HB2 CYS 47 12.079 0.402 2.949
85 HB3 CYS 47 HB3 CYS 47 10.698 -0.591 2.458
86 H ALA 48 H ALA 48 13.681 -0.073 4.747
87 HA ALA 48 HA ALA 48 13.905 1.089 7.258
88 HB1 ALA 48 HB1 ALA 48 15.542 1.874 4.813
89 HB2 ALA 48 HB2 ALA 48 16.055 1.920 6.509
90 HB3 ALA 48 HB3 ALA 48 15.776 0.361 5.718
91 H CYS 49 H CYS 49 12.220 2.455 4.715
92 HA CYS 49 HA CYS 49 12.479 5.220 5.808
93 HB2 CYS 49 HB2 CYS 49 12.513 6.212 3.838
94 HB3 CYS 49 HB3 CYS 49 13.373 4.793 3.417
95 H GLY 50 H GLY 50 10.459 2.569 5.547
96 HA2 GLY 50 HA2 GLY 50 8.285 2.074 5.817
97 HA3 GLY 50 HA3 GLY 50 8.367 3.377 6.987
98 H ARG 51 H ARG 51 8.782 4.470 3.852
99 HA ARG 51 HA ARG 51 6.405 6.045 3.884
100 HB2 ARG 51 HB2 ARG 51 8.636 6.599 2.811
101 HB3 ARG 51 HB3 ARG 51 8.243 5.450 1.528
102 HG2 ARG 51 HG2 ARG 51 6.077 6.953 1.221
103 HG3 ARG 51 HG3 ARG 51 6.941 8.105 2.253
104 HD2 ARG 51 HD2 ARG 51 8.848 7.922 0.511
105 HD3 ARG 51 HD3 ARG 51 7.690 7.027 -0.482
106 HE ARG 51 HE ARG 51 6.593 9.516 0.465
107 HH11 ARG 51 HH11 ARG 51 8.860 8.238 -1.951
108 HH12 ARG 51 HH12 ARG 51 8.611 9.551 -3.075
109 HH21 ARG 51 HH21 ARG 51 6.181 11.197 -1.078
110 HH22 ARG 51 HH22 ARG 51 6.906 11.138 -2.633
111 H GLU 52 H GLU 52 4.536 5.921 2.757
112 HA GLU 52 HA GLU 52 3.975 3.522 1.129
113 HB2 GLU 52 HB2 GLU 52 1.808 3.352 2.163
114 HB3 GLU 52 HB3 GLU 52 3.052 3.255 3.409
115 HG2 GLU 52 HG2 GLU 52 1.893 5.979 2.917
116 HG3 GLU 52 HG3 GLU 52 0.791 4.797 3.571
117 H GLY 53 H GLY 53 3.895 6.842 1.274
118 HA2 GLY 53 HA2 GLY 53 3.414 8.368 -0.401
119 HA3 GLY 53 HA3 GLY 53 2.445 7.158 -1.265
120 H THR 54 H THR 54 1.250 9.599 -1.067
121 HA THR 54 HA THR 54 -0.217 10.192 1.284
122 HB THR 54 HB THR 54 -0.846 10.741 -1.659
123 HG1 THR 54 HG1 THR 54 0.498 12.351 0.254
124 HG21 THR 54 HG21 THR 54 -1.882 12.161 0.835
125 HG22 THR 54 HG22 THR 54 -2.830 11.113 -0.247
126 HG23 THR 54 HG23 THR 54 -2.182 12.620 -0.853
127 HA PRO 55 HA PRO 55 -2.900 6.615 0.872
128 HB2 PRO 55 HB2 PRO 55 -3.815 6.487 3.386
129 HB3 PRO 55 HB3 PRO 55 -2.140 6.007 2.945
130 HG2 PRO 55 HG2 PRO 55 -3.118 8.550 4.242
131 HG3 PRO 55 HG3 PRO 55 -1.639 7.592 4.597
132 HD2 PRO 55 HD2 PRO 55 -1.758 9.863 2.972
133 HD3 PRO 55 HD3 PRO 55 -0.475 8.637 2.928
134 H SER 56 H SER 56 -4.421 7.457 -0.545
135 HA SER 56 HA SER 56 -6.292 9.492 0.086
136 HB2 SER 56 HB2 SER 56 -6.598 7.199 -1.893
137 HB3 SER 56 HB3 SER 56 -7.509 8.726 -1.889
138 HG SER 56 HG SER 56 -5.628 9.847 -2.239
139 H GLY 57 H GLY 57 -7.465 9.345 1.924
140 HA2 GLY 57 HA2 GLY 57 -8.702 6.895 2.900
141 HA3 GLY 57 HA3 GLY 57 -8.844 8.534 3.572
142 H ARG 58 H ARG 58 -9.711 6.747 0.612
143 HA ARG 58 HA ARG 58 -12.419 8.004 0.633
144 HB2 ARG 58 HB2 ARG 58 -10.470 7.586 -1.664
145 HB3 ARG 58 HB3 ARG 58 -12.167 7.946 -1.942
146 HG2 ARG 58 HG2 ARG 58 -10.445 9.776 -0.229
147 HG3 ARG 58 HG3 ARG 58 -10.486 9.905 -1.976
148 HD2 ARG 58 HD2 ARG 58 -12.833 10.383 -2.012
149 HD3 ARG 58 HD3 ARG 58 -13.024 9.964 -0.298
150 HE ARG 58 HE ARG 58 -11.242 11.888 -0.039
151 HH11 ARG 58 HH11 ARG 58 -14.291 11.934 -1.927
152 HH12 ARG 58 HH12 ARG 58 -14.564 13.611 -1.615
153 HH21 ARG 58 HH21 ARG 58 -11.455 14.119 0.028
154 HH22 ARG 58 HH22 ARG 58 -12.882 14.903 -0.540
155 H ALA 59 H ALA 59 -11.069 5.213 1.293
156 HA ALA 59 HA ALA 59 -13.369 3.648 0.575
157 HB1 ALA 59 HB1 ALA 59 -10.652 2.955 -0.644
158 HB2 ALA 59 HB2 ALA 59 -12.075 1.888 -0.646
159 HB3 ALA 59 HB3 ALA 59 -12.109 3.414 -1.549
160 H ASN 60 H ASN 60 -13.113 1.472 1.505
161 HA ASN 60 HA ASN 60 -12.243 1.545 4.182
162 HB2 ASN 60 HB2 ASN 60 -13.010 -0.949 2.615
163 HB3 ASN 60 HB3 ASN 60 -13.173 -0.667 4.339
164 HD21 ASN 60 HD21 ASN 60 -14.679 -0.341 1.225
165 HD22 ASN 60 HD22 ASN 60 -16.162 0.397 1.802
166 H ARG 61 H ARG 61 -9.867 2.102 3.185
167 HA ARG 61 HA ARG 61 -8.244 -0.425 3.158
168 HB2 ARG 61 HB2 ARG 61 -7.072 2.217 2.319
169 HB3 ARG 61 HB3 ARG 61 -6.600 0.559 1.883
170 HG2 ARG 61 HG2 ARG 61 -8.751 0.384 0.562
171 HG3 ARG 61 HG3 ARG 61 -9.026 2.110 0.895
172 HD2 ARG 61 HD2 ARG 61 -6.897 2.672 -0.199
173 HD3 ARG 61 HD3 ARG 61 -6.661 0.947 -0.597
174 HE ARG 61 HE ARG 61 -9.059 1.287 -1.673
175 HH11 ARG 61 HH11 ARG 61 -6.390 3.707 -1.980
176 HH12 ARG 61 HH12 ARG 61 -7.075 4.327 -3.440
177 HH21 ARG 61 HH21 ARG 61 -9.895 2.197 -3.411
178 HH22 ARG 61 HH22 ARG 61 -9.258 3.644 -4.125
179 H ARG 62 H ARG 62 -5.998 -0.098 4.318
180 HA ARG 62 HA ARG 62 -6.370 0.402 7.021
181 HB2 ARG 62 HB2 ARG 62 -4.614 -0.856 5.431
182 HB3 ARG 62 HB3 ARG 62 -3.625 0.513 5.819
183 HG2 ARG 62 HG2 ARG 62 -3.881 0.144 8.257
184 HG3 ARG 62 HG3 ARG 62 -5.003 -1.202 7.964
185 HD2 ARG 62 HD2 ARG 62 -3.311 -2.418 6.780
186 HD3 ARG 62 HD3 ARG 62 -2.173 -1.068 6.894
187 HE ARG 62 HE ARG 62 -2.997 -2.898 9.093
188 HH11 ARG 62 HH11 ARG 62 -1.173 0.105 8.457
189 HH12 ARG 62 HH12 ARG 62 0.081 -0.299 9.581
190 HH21 ARG 62 HH21 ARG 62 -1.356 -3.341 10.643
191 HH22 ARG 62 HH22 ARG 62 -0.131 -2.157 10.928
192 H ALA 63 H ALA 63 -6.474 2.876 5.059
193 HA ALA 63 HA ALA 63 -5.933 5.131 5.067
194 HB1 ALA 63 HB1 ALA 63 -5.747 6.262 7.187
195 HB2 ALA 63 HB2 ALA 63 -6.985 4.993 7.311
196 HB3 ALA 63 HB3 ALA 63 -5.378 4.758 8.036
197 H ASN 64 H ASN 64 -3.811 2.919 4.927
198 HA ASN 64 HA ASN 64 -1.380 4.645 4.819
199 HB2 ASN 64 HB2 ASN 64 -1.298 1.672 5.415
200 HB3 ASN 64 HB3 ASN 64 0.009 2.845 5.537
201 HD21 ASN 64 HD21 ASN 64 -1.170 4.912 7.217
202 HD22 ASN 64 HD22 ASN 64 -1.635 4.132 8.699
203 H CYS 65 H CYS 65 -3.656 3.163 2.888
204 HA CYS 65 HA CYS 65 -1.597 2.071 1.008
205 HB2 CYS 65 HB2 CYS 65 -3.349 0.534 1.758
206 HB3 CYS 65 HB3 CYS 65 -4.547 1.630 1.040
207 H SER 66 H SER 66 -0.925 4.043 0.194
208 HA SER 66 HA SER 66 -2.552 6.004 -1.120
209 HB2 SER 66 HB2 SER 66 -0.220 6.345 -0.392
210 HB3 SER 66 HB3 SER 66 0.329 5.139 -1.579
211 HG SER 66 HG SER 66 0.489 7.473 -2.167
212 H CYS 67 H CYS 67 -1.395 3.024 -2.072
213 HA CYS 67 HA CYS 67 -1.121 2.860 -4.852
214 HB2 CYS 67 HB2 CYS 67 -2.846 1.102 -3.143
215 HB3 CYS 67 HB3 CYS 67 -2.493 0.686 -4.745
216 H GLY 68 H GLY 68 -2.533 2.302 -6.754
217 HA2 GLY 68 HA2 GLY 68 -5.434 2.698 -6.261
218 HA3 GLY 68 HA3 GLY 68 -4.569 3.883 -7.254
219 H ALA 69 H ALA 69 -3.091 2.985 -8.913
220 HA ALA 69 HA ALA 69 -4.404 1.311 -10.702
221 HB1 ALA 69 HB1 ALA 69 -2.245 1.311 -11.897
222 HB2 ALA 69 HB2 ALA 69 -2.674 2.935 -11.350
223 HB3 ALA 69 HB3 ALA 69 -1.433 2.000 -10.482
224 H ALA 70 H ALA 70 -3.599 -0.405 -11.540
225 HA ALA 70 HA ALA 70 -4.123 -2.849 -11.072
226 HB1 ALA 70 HB1 ALA 70 -2.839 -2.231 -13.067
227 HB2 ALA 70 HB2 ALA 70 -1.329 -2.254 -12.124
228 HB3 ALA 70 HB3 ALA 70 -2.252 -3.753 -12.380
229 H CYS 71 H CYS 71 -4.138 -2.724 -8.595
230 HA CYS 71 HA CYS 71 -1.638 -3.850 -7.469
231 HB2 CYS 71 HB2 CYS 71 -2.914 -1.825 -6.600
232 HB3 CYS 71 HB3 CYS 71 -4.033 -2.941 -5.948
233 H ASN 72 H ASN 72 -1.908 -6.025 -8.336
234 HA ASN 72 HA ASN 72 -4.025 -7.601 -7.181
235 HB2 ASN 72 HB2 ASN 72 -1.466 -8.485 -8.602
236 HB3 ASN 72 HB3 ASN 72 -2.844 -9.520 -8.210
237 HD21 ASN 72 HD21 ASN 72 -2.212 -9.502 -10.936
238 HD22 ASN 72 HD22 ASN 72 -3.385 -8.515 -11.743
239 H CYS 73 H CYS 73 -1.468 -6.314 -5.609
240 HA CYS 73 HA CYS 73 -0.514 -8.440 -3.893
241 HB2 CYS 73 HB2 CYS 73 0.456 -6.326 -3.559
242 HB3 CYS 73 HB3 CYS 73 -1.099 -5.529 -3.488
243 H ALA 74 H ALA 74 -1.835 -9.894 -2.746
244 HA ALA 74 HA ALA 74 -4.458 -9.642 -2.041
245 HB1 ALA 74 HB1 ALA 74 -3.225 -11.731 -1.843
246 HB2 ALA 74 HB2 ALA 74 -2.227 -11.071 -0.515
247 HB3 ALA 74 HB3 ALA 74 -3.961 -11.347 -0.286
248 H SER 75 H SER 75 -1.675 -8.572 -0.021
249 HA SER 75 HA SER 75 -3.102 -7.769 2.240
250 HB2 SER 75 HB2 SER 75 -0.741 -6.205 1.280
251 HB3 SER 75 HB3 SER 75 -1.101 -6.769 2.921
252 HG SER 75 HG SER 75 -0.401 -8.713 2.447
253 H CYS 76 H CYS 76 -3.259 -6.356 -0.839
254 HA CYS 76 HA CYS 76 -4.226 -3.703 0.250
255 HB2 CYS 76 HB2 CYS 76 -3.165 -4.425 -2.490
256 HB3 CYS 76 HB3 CYS 76 -4.045 -2.995 -2.047
257 H GLY 77 H GLY 77 -5.096 -6.659 -1.778
258 HA2 GLY 77 HA2 GLY 77 -7.468 -5.532 -2.838
259 HA3 GLY 77 HA3 GLY 77 -7.137 -7.251 -2.522
260 H SER 78 H SER 78 -6.606 -6.902 0.346
261 HA SER 78 HA SER 78 -9.081 -7.314 1.529
262 HB2 SER 78 HB2 SER 78 -7.701 -6.859 3.651
263 HB3 SER 78 HB3 SER 78 -7.136 -8.143 2.575
264 HG SER 78 HG SER 78 -6.185 -5.477 2.718
265 H ALA 79 H ALA 79 -10.636 -5.911 1.494
266 HA ALA 79 HA ALA 79 -10.543 -3.325 2.743
267 HB1 ALA 79 HB1 ALA 79 -9.773 -2.733 0.423
268 HB2 ALA 79 HB2 ALA 79 -11.234 -3.500 -0.239
269 HB3 ALA 79 HB3 ALA 79 -11.372 -2.053 0.785
270 H THR 80 H THR 80 -11.735 -5.991 3.058
271 HA THR 80 HA THR 80 -14.625 -5.365 2.986
272 HB THR 80 HB THR 80 -14.180 -6.827 1.111
273 HG1 THR 80 HG1 THR 80 -15.457 -8.604 1.767
274 HG21 THR 80 HG21 THR 80 -12.918 -8.835 3.021
275 HG22 THR 80 HG22 THR 80 -12.027 -7.875 1.823
276 HG23 THR 80 HG23 THR 80 -13.226 -9.051 1.298
277 H ALA 81 H ALA 81 -15.561 -5.726 4.952
278 HA ALA 81 HA ALA 81 -15.834 -6.138 7.099
279 HB1 ALA 81 HB1 ALA 81 -15.468 -8.301 7.813
280 HB2 ALA 81 HB2 ALA 81 -15.139 -8.530 6.110
281 HB3 ALA 81 HB3 ALA 81 -13.787 -8.315 7.239
282 HA PRO 82 HA PRO 82 -12.774 -3.962 9.359
283 HB2 PRO 82 HB2 PRO 82 -13.157 -4.636 11.945
284 HB3 PRO 82 HB3 PRO 82 -14.432 -3.867 10.970
285 HG2 PRO 82 HG2 PRO 82 -14.079 -6.819 11.590
286 HG3 PRO 82 HG3 PRO 82 -15.574 -5.828 11.708
287 HD2 PRO 82 HD2 PRO 82 -14.911 -7.398 9.586
288 HD3 PRO 82 HD3 PRO 82 -15.919 -5.928 9.434
289 H GLY 83 H GLY 83 -11.170 -5.531 8.008
290 HA2 GLY 83 HA2 GLY 83 -8.958 -6.097 9.734
291 HA3 GLY 83 HA3 GLY 83 -9.709 -7.589 9.136
Start of MODEL 2
1 H1 GLY 31 H GLY 31 16.327 3.218 -6.449
2 HA2 GLY 31 HA2 GLY 31 14.005 3.133 -5.449
3 HA3 GLY 31 HA3 GLY 31 13.691 1.883 -6.667
4 H GLU 32 H GLU 32 14.384 -0.187 -6.258
5 HA GLU 32 HA GLU 32 15.094 -1.989 -5.205
6 HB2 GLU 32 HB2 GLU 32 17.399 -0.342 -4.110
7 HB3 GLU 32 HB3 GLU 32 17.369 -2.086 -4.379
8 HG2 GLU 32 HG2 GLU 32 17.228 -1.735 -6.810
9 HG3 GLU 32 HG3 GLU 32 17.244 0.023 -6.586
10 H HIS 33 H HIS 33 13.604 0.136 -3.598
11 HA HIS 33 HA HIS 33 14.203 -0.856 -0.861
12 HB2 HIS 33 HB2 HIS 33 13.228 1.627 -1.885
13 HB3 HIS 33 HB3 HIS 33 11.970 0.921 -0.864
14 HD2 HIS 33 HD2 HIS 33 15.823 0.642 -0.343
15 HE1 HIS 33 HE1 HIS 33 14.403 2.968 2.885
16 HE2 HIS 33 HE2 HIS 33 16.438 1.869 1.857
17 H THR 34 H THR 34 12.330 -1.416 0.608
18 HA THR 34 HA THR 34 10.773 -3.542 -0.630
19 HB THR 34 HB THR 34 9.992 -2.529 2.048
20 HG1 THR 34 HG1 THR 34 12.676 -3.317 1.486
21 HG21 THR 34 HG21 THR 34 9.276 -4.693 1.146
22 HG22 THR 34 HG22 THR 34 10.202 -4.869 2.640
23 HG23 THR 34 HG23 THR 34 10.967 -5.232 1.078
24 H THR 35 H THR 35 9.113 -3.132 -1.872
25 HA THR 35 HA THR 35 7.304 -0.868 -1.340
26 HB THR 35 HB THR 35 7.151 -0.580 -3.856
27 HG1 THR 35 HG1 THR 35 8.263 -2.577 -4.391
28 HG21 THR 35 HG21 THR 35 8.473 0.929 -2.353
29 HG22 THR 35 HG22 THR 35 9.017 0.909 -4.042
30 HG23 THR 35 HG23 THR 35 9.931 0.033 -2.789
31 H CYS 36 H CYS 36 5.236 -1.256 -2.443
32 HA CYS 36 HA CYS 36 4.308 -3.852 -2.028
33 HB2 CYS 36 HB2 CYS 36 3.062 -1.584 -2.276
34 HB3 CYS 36 HB3 CYS 36 3.334 -1.785 -3.984
35 H GLY 37 H GLY 37 3.950 -5.634 -3.474
36 HA2 GLY 37 HA2 GLY 37 5.721 -6.034 -5.497
37 HA3 GLY 37 HA3 GLY 37 4.184 -6.884 -5.390
38 H CYS 38 H CYS 38 2.662 -4.300 -5.766
39 HA CYS 38 HA CYS 38 2.485 -4.397 -8.612
40 HB2 CYS 38 HB2 CYS 38 0.891 -2.729 -8.526
41 HB3 CYS 38 HB3 CYS 38 0.612 -3.678 -7.150
42 H GLY 39 H GLY 39 4.767 -2.785 -6.632
43 HA2 GLY 39 HA2 GLY 39 6.680 -1.938 -7.558
44 HA3 GLY 39 HA3 GLY 39 5.771 -1.172 -8.858
45 H GLU 40 H GLU 40 4.437 -0.478 -5.575
46 HA GLU 40 HA GLU 40 6.048 1.980 -5.580
47 HB2 GLU 40 HB2 GLU 40 4.315 3.215 -5.692
48 HB3 GLU 40 HB3 GLU 40 3.551 1.941 -6.556
49 HG2 GLU 40 HG2 GLU 40 3.112 2.438 -3.553
50 HG3 GLU 40 HG3 GLU 40 2.173 3.156 -4.824
51 H HIS 41 H HIS 41 6.271 3.043 -3.688
52 HA HIS 41 HA HIS 41 6.562 1.517 -1.259
53 HB2 HIS 41 HB2 HIS 41 6.797 4.414 -2.113
54 HB3 HIS 41 HB3 HIS 41 6.598 4.073 -0.416
55 HD1 HIS 41 HD1 HIS 41 9.317 3.474 -3.175
56 HD2 HIS 41 HD2 HIS 41 8.573 3.141 0.968
57 HE1 HIS 41 HE1 HIS 41 11.567 3.025 -2.022
58 H CYS 42 H CYS 42 4.786 0.797 -0.143
59 HA CYS 42 HA CYS 42 2.357 2.453 0.163
60 HB2 CYS 42 HB2 CYS 42 1.980 0.877 -1.700
61 HB3 CYS 42 HB3 CYS 42 2.472 -0.467 -0.672
62 H GLY 43 H GLY 43 1.290 1.879 2.223
63 HA2 GLY 43 HA2 GLY 43 3.037 1.279 4.317
64 HA3 GLY 43 HA3 GLY 43 1.289 1.326 4.401
65 H CYS 44 H CYS 44 2.220 -0.951 2.265
66 HA CYS 44 HA CYS 44 1.654 -3.179 4.177
67 HB2 CYS 44 HB2 CYS 44 0.790 -4.390 2.353
68 HB3 CYS 44 HB3 CYS 44 0.113 -2.748 2.272
69 H ASN 45 H ASN 45 4.288 -1.635 3.042
70 HA ASN 45 HA ASN 45 5.918 -4.116 3.024
71 HB2 ASN 45 HB2 ASN 45 5.667 -2.151 0.766
72 HB3 ASN 45 HB3 ASN 45 7.243 -2.864 1.117
73 HD21 ASN 45 HD21 ASN 45 7.622 -5.130 0.819
74 HD22 ASN 45 HD22 ASN 45 6.622 -5.957 -0.282
75 HA PRO 46 HA PRO 46 7.549 -0.709 5.623
76 HB2 PRO 46 HB2 PRO 46 8.493 -2.224 7.691
77 HB3 PRO 46 HB3 PRO 46 6.794 -1.656 7.569
78 HG2 PRO 46 HG2 PRO 46 7.934 -4.341 6.793
79 HG3 PRO 46 HG3 PRO 46 6.453 -4.023 7.743
80 HD2 PRO 46 HD2 PRO 46 6.340 -4.560 5.076
81 HD3 PRO 46 HD3 PRO 46 5.250 -3.341 5.796
82 H CYS 47 H CYS 47 9.445 -0.029 5.163
83 HA CYS 47 HA CYS 47 11.734 -1.791 4.396
84 HB2 CYS 47 HB2 CYS 47 12.301 0.265 2.925
85 HB3 CYS 47 HB3 CYS 47 10.994 -0.759 2.342
86 H ALA 48 H ALA 48 13.795 -0.523 4.536
87 HA ALA 48 HA ALA 48 14.470 0.493 6.950
88 HB1 ALA 48 HB1 ALA 48 16.053 -0.244 5.253
89 HB2 ALA 48 HB2 ALA 48 15.593 1.104 4.185
90 HB3 ALA 48 HB3 ALA 48 16.450 1.434 5.685
91 H CYS 49 H CYS 49 12.518 2.242 4.810
92 HA CYS 49 HA CYS 49 13.196 4.856 6.100
93 HB2 CYS 49 HB2 CYS 49 12.846 6.045 4.190
94 HB3 CYS 49 HB3 CYS 49 13.666 4.633 3.600
95 H GLY 50 H GLY 50 10.791 2.432 5.594
96 HA2 GLY 50 HA2 GLY 50 8.518 2.339 5.974
97 HA3 GLY 50 HA3 GLY 50 8.960 3.261 7.402
98 H ARG 51 H ARG 51 8.695 4.073 3.922
99 HA ARG 51 HA ARG 51 6.855 6.305 4.587
100 HB2 ARG 51 HB2 ARG 51 9.079 7.149 3.938
101 HB3 ARG 51 HB3 ARG 51 9.021 6.232 2.427
102 HG2 ARG 51 HG2 ARG 51 6.691 8.016 2.901
103 HG3 ARG 51 HG3 ARG 51 8.244 8.844 2.747
104 HD2 ARG 51 HD2 ARG 51 8.662 7.814 0.585
105 HD3 ARG 51 HD3 ARG 51 7.158 6.880 0.684
106 HE ARG 51 HE ARG 51 6.307 9.487 0.943
107 HH11 ARG 51 HH11 ARG 51 8.399 7.907 -1.473
108 HH12 ARG 51 HH12 ARG 51 8.011 8.987 -2.746
109 HH21 ARG 51 HH21 ARG 51 5.499 10.724 -0.900
110 HH22 ARG 51 HH22 ARG 51 6.257 10.547 -2.432
111 H GLU 52 H GLU 52 5.051 6.354 3.213
112 HA GLU 52 HA GLU 52 4.888 4.171 1.181
113 HB2 GLU 52 HB2 GLU 52 2.581 3.832 2.040
114 HB3 GLU 52 HB3 GLU 52 3.865 3.424 3.181
115 HG2 GLU 52 HG2 GLU 52 3.482 5.443 4.466
116 HG3 GLU 52 HG3 GLU 52 2.442 6.117 3.193
117 H GLY 53 H GLY 53 4.929 7.456 1.162
118 HA2 GLY 53 HA2 GLY 53 4.197 8.794 -0.654
119 HA3 GLY 53 HA3 GLY 53 3.200 7.461 -1.240
120 H THR 54 H THR 54 1.304 8.840 -1.416
121 HA THR 54 HA THR 54 0.228 9.828 1.173
122 HB THR 54 HB THR 54 -0.182 10.787 -1.672
123 HG1 THR 54 HG1 THR 54 1.307 12.171 -1.120
124 HG21 THR 54 HG21 THR 54 -1.362 11.794 0.954
125 HG22 THR 54 HG22 THR 54 -2.274 11.134 -0.423
126 HG23 THR 54 HG23 THR 54 -1.418 12.673 -0.586
127 HA PRO 55 HA PRO 55 -2.592 6.396 0.373
128 HB2 PRO 55 HB2 PRO 55 -3.594 6.127 2.825
129 HB3 PRO 55 HB3 PRO 55 -1.929 5.579 2.431
130 HG2 PRO 55 HG2 PRO 55 -2.801 8.166 3.758
131 HG3 PRO 55 HG3 PRO 55 -1.533 7.028 4.277
132 HD2 PRO 55 HD2 PRO 55 -0.986 9.262 2.784
133 HD3 PRO 55 HD3 PRO 55 -0.052 7.748 2.591
134 H SER 56 H SER 56 -4.598 6.694 -0.537
135 HA SER 56 HA SER 56 -6.024 9.197 0.141
136 HB2 SER 56 HB2 SER 56 -5.693 8.599 -2.248
137 HB3 SER 56 HB3 SER 56 -6.699 7.147 -1.996
138 HG SER 56 HG SER 56 -7.630 9.388 -2.648
139 H GLY 57 H GLY 57 -7.329 9.051 1.858
140 HA2 GLY 57 HA2 GLY 57 -8.452 6.500 2.830
141 HA3 GLY 57 HA3 GLY 57 -8.497 8.086 3.617
142 H ARG 58 H ARG 58 -9.697 6.428 0.666
143 HA ARG 58 HA ARG 58 -12.277 7.880 0.974
144 HB2 ARG 58 HB2 ARG 58 -10.751 7.501 -1.635
145 HB3 ARG 58 HB3 ARG 58 -12.387 8.140 -1.529
146 HG2 ARG 58 HG2 ARG 58 -9.918 9.462 -0.340
147 HG3 ARG 58 HG3 ARG 58 -10.694 9.895 -1.861
148 HD2 ARG 58 HD2 ARG 58 -12.756 10.527 -0.700
149 HD3 ARG 58 HD3 ARG 58 -12.080 10.047 0.858
150 HE ARG 58 HE ARG 58 -11.609 12.473 -0.629
151 HH11 ARG 58 HH11 ARG 58 -10.323 10.405 1.985
152 HH12 ARG 58 HH12 ARG 58 -9.266 11.627 2.606
153 HH21 ARG 58 HH21 ARG 58 -10.181 14.034 0.169
154 HH22 ARG 58 HH22 ARG 58 -9.110 13.741 1.517
155 H ALA 59 H ALA 59 -11.076 4.951 1.252
156 HA ALA 59 HA ALA 59 -13.620 3.731 0.503
157 HB1 ALA 59 HB1 ALA 59 -12.201 3.430 -1.507
158 HB2 ALA 59 HB2 ALA 59 -10.964 2.636 -0.519
159 HB3 ALA 59 HB3 ALA 59 -12.575 1.893 -0.710
160 H ASN 60 H ASN 60 -13.140 1.213 1.086
161 HA ASN 60 HA ASN 60 -12.873 1.192 3.925
162 HB2 ASN 60 HB2 ASN 60 -12.984 -1.244 2.113
163 HB3 ASN 60 HB3 ASN 60 -13.534 -1.137 3.773
164 HD21 ASN 60 HD21 ASN 60 -15.118 1.277 3.622
165 HD22 ASN 60 HD22 ASN 60 -16.440 0.985 2.513
166 H ARG 61 H ARG 61 -10.329 1.625 2.156
167 HA ARG 61 HA ARG 61 -8.682 -0.668 2.807
168 HB2 ARG 61 HB2 ARG 61 -7.475 2.049 2.166
169 HB3 ARG 61 HB3 ARG 61 -6.873 0.423 1.773
170 HG2 ARG 61 HG2 ARG 61 -9.047 0.257 0.327
171 HG3 ARG 61 HG3 ARG 61 -9.098 2.006 0.504
172 HD2 ARG 61 HD2 ARG 61 -6.750 2.054 -0.471
173 HD3 ARG 61 HD3 ARG 61 -6.985 0.344 -0.889
174 HE ARG 61 HE ARG 61 -8.003 2.660 -2.202
175 HH11 ARG 61 HH11 ARG 61 -9.163 -0.655 -1.367
176 HH12 ARG 61 HH12 ARG 61 -10.279 -0.695 -2.690
177 HH21 ARG 61 HH21 ARG 61 -9.610 2.517 -3.920
178 HH22 ARG 61 HH22 ARG 61 -10.611 1.119 -4.018
179 H ARG 62 H ARG 62 -6.492 -0.105 4.059
180 HA ARG 62 HA ARG 62 -7.309 0.529 6.768
181 HB2 ARG 62 HB2 ARG 62 -5.197 -0.885 5.271
182 HB3 ARG 62 HB3 ARG 62 -4.572 -0.005 6.634
183 HG2 ARG 62 HG2 ARG 62 -6.393 -0.984 8.104
184 HG3 ARG 62 HG3 ARG 62 -6.968 -1.909 6.702
185 HD2 ARG 62 HD2 ARG 62 -4.837 -3.075 6.596
186 HD3 ARG 62 HD3 ARG 62 -4.210 -2.072 7.913
187 HE ARG 62 HE ARG 62 -6.516 -3.966 8.206
188 HH11 ARG 62 HH11 ARG 62 -3.980 -2.117 9.821
189 HH12 ARG 62 HH12 ARG 62 -3.959 -3.073 11.245
190 HH21 ARG 62 HH21 ARG 62 -6.486 -5.320 10.095
191 HH22 ARG 62 HH22 ARG 62 -5.329 -5.019 11.338
192 H ALA 63 H ALA 63 -7.139 2.760 4.824
193 HA ALA 63 HA ALA 63 -6.421 4.930 4.629
194 HB1 ALA 63 HB1 ALA 63 -6.132 6.117 6.752
195 HB2 ALA 63 HB2 ALA 63 -7.499 5.013 6.819
196 HB3 ALA 63 HB3 ALA 63 -5.956 4.580 7.604
197 H ASN 64 H ASN 64 -4.163 2.639 4.872
198 HA ASN 64 HA ASN 64 -1.881 4.543 4.658
199 HB2 ASN 64 HB2 ASN 64 -1.990 1.919 6.155
200 HB3 ASN 64 HB3 ASN 64 -0.479 2.625 5.588
201 HD21 ASN 64 HD21 ASN 64 -1.744 2.273 8.435
202 HD22 ASN 64 HD22 ASN 64 -1.518 3.847 9.131
203 H CYS 65 H CYS 65 -3.844 2.839 2.818
204 HA CYS 65 HA CYS 65 -1.668 1.727 1.077
205 HB2 CYS 65 HB2 CYS 65 -3.525 0.215 1.567
206 HB3 CYS 65 HB3 CYS 65 -4.630 1.377 0.851
207 H SER 66 H SER 66 -0.797 3.429 0.002
208 HA SER 66 HA SER 66 -2.194 5.589 -1.313
209 HB2 SER 66 HB2 SER 66 0.259 6.051 -1.841
210 HB3 SER 66 HB3 SER 66 -0.088 5.839 -0.114
211 HG SER 66 HG SER 66 1.653 4.605 -0.596
212 H CYS 67 H CYS 67 -2.049 2.615 -2.201
213 HA CYS 67 HA CYS 67 -0.973 2.596 -4.940
214 HB2 CYS 67 HB2 CYS 67 -3.034 0.837 -3.572
215 HB3 CYS 67 HB3 CYS 67 -2.517 0.513 -5.169
216 H GLY 68 H GLY 68 -2.595 1.653 -6.775
217 HA2 GLY 68 HA2 GLY 68 -4.944 3.380 -7.037
218 HA3 GLY 68 HA3 GLY 68 -3.692 3.264 -8.292
219 H ALA 69 H ALA 69 -5.747 2.392 -9.473
220 HA ALA 69 HA ALA 69 -6.918 -0.079 -8.856
221 HB1 ALA 69 HB1 ALA 69 -7.738 0.020 -11.202
222 HB2 ALA 69 HB2 ALA 69 -7.869 1.599 -10.412
223 HB3 ALA 69 HB3 ALA 69 -6.553 1.284 -11.563
224 H ALA 70 H ALA 70 -3.737 0.421 -10.308
225 HA ALA 70 HA ALA 70 -3.686 -2.262 -11.507
226 HB1 ALA 70 HB1 ALA 70 -2.660 -0.335 -12.681
227 HB2 ALA 70 HB2 ALA 70 -1.478 -0.179 -11.372
228 HB3 ALA 70 HB3 ALA 70 -1.522 -1.648 -12.354
229 H CYS 71 H CYS 71 -4.182 -3.130 -9.176
230 HA CYS 71 HA CYS 71 -1.646 -4.076 -8.172
231 HB2 CYS 71 HB2 CYS 71 -1.917 -1.899 -7.091
232 HB3 CYS 71 HB3 CYS 71 -3.426 -2.404 -6.378
233 H ASN 72 H ASN 72 -1.904 -6.139 -7.843
234 HA ASN 72 HA ASN 72 -4.508 -7.219 -6.938
235 HB2 ASN 72 HB2 ASN 72 -2.172 -8.597 -8.312
236 HB3 ASN 72 HB3 ASN 72 -3.684 -9.364 -7.830
237 HD21 ASN 72 HD21 ASN 72 -5.461 -9.250 -9.297
238 HD22 ASN 72 HD22 ASN 72 -5.483 -8.147 -10.660
239 H CYS 73 H CYS 73 -1.455 -6.482 -5.665
240 HA CYS 73 HA CYS 73 -0.643 -8.407 -3.875
241 HB2 CYS 73 HB2 CYS 73 0.245 -6.109 -3.911
242 HB3 CYS 73 HB3 CYS 73 -1.233 -5.479 -3.385
243 H ALA 74 H ALA 74 -1.930 -9.831 -2.550
244 HA ALA 74 HA ALA 74 -4.522 -9.549 -1.765
245 HB1 ALA 74 HB1 ALA 74 -4.011 -11.158 0.045
246 HB2 ALA 74 HB2 ALA 74 -3.313 -11.629 -1.496
247 HB3 ALA 74 HB3 ALA 74 -2.273 -10.927 -0.235
248 H SER 75 H SER 75 -1.722 -8.431 0.189
249 HA SER 75 HA SER 75 -3.241 -7.553 2.439
250 HB2 SER 75 HB2 SER 75 -0.894 -7.807 2.700
251 HB3 SER 75 HB3 SER 75 -0.565 -6.741 1.321
252 HG SER 75 HG SER 75 -0.321 -5.917 3.628
253 H CYS 76 H CYS 76 -3.078 -6.267 -0.729
254 HA CYS 76 HA CYS 76 -4.245 -3.650 0.123
255 HB2 CYS 76 HB2 CYS 76 -3.051 -4.447 -2.537
256 HB3 CYS 76 HB3 CYS 76 -3.877 -2.987 -2.069
257 H GLY 77 H GLY 77 -4.973 -6.710 -1.509
258 HA2 GLY 77 HA2 GLY 77 -7.117 -5.743 -3.157
259 HA3 GLY 77 HA3 GLY 77 -6.831 -7.419 -2.618
260 H SER 78 H SER 78 -7.069 -7.651 -0.101
261 HA SER 78 HA SER 78 -9.776 -6.888 0.545
262 HB2 SER 78 HB2 SER 78 -8.021 -8.242 2.572
263 HB3 SER 78 HB3 SER 78 -9.679 -8.580 2.098
264 HG SER 78 HG SER 78 -8.366 -10.203 1.353
265 H ALA 79 H ALA 79 -6.958 -6.715 2.605
266 HA ALA 79 HA ALA 79 -5.789 -4.806 3.397
267 HB1 ALA 79 HB1 ALA 79 -7.335 -3.058 2.524
268 HB2 ALA 79 HB2 ALA 79 -8.469 -3.434 3.844
269 HB3 ALA 79 HB3 ALA 79 -6.863 -2.787 4.205
270 H THR 80 H THR 80 -7.403 -7.312 4.410
271 HA THR 80 HA THR 80 -8.005 -6.820 7.150
272 HB THR 80 HB THR 80 -8.311 -9.338 6.971
273 HG1 THR 80 HG1 THR 80 -7.190 -10.148 5.412
274 HG21 THR 80 HG21 THR 80 -10.216 -9.228 5.448
275 HG22 THR 80 HG22 THR 80 -9.618 -7.735 4.705
276 HG23 THR 80 HG23 THR 80 -10.150 -7.733 6.394
277 H ALA 81 H ALA 81 -5.485 -5.814 6.935
278 HA ALA 81 HA ALA 81 -3.466 -5.815 7.994
279 HB1 ALA 81 HB1 ALA 81 -4.909 -7.154 9.804
280 HB2 ALA 81 HB2 ALA 81 -3.857 -8.476 9.305
281 HB3 ALA 81 HB3 ALA 81 -3.159 -7.000 9.965
282 HA PRO 82 HA PRO 82 -0.793 -8.237 5.439
283 HB2 PRO 82 HB2 PRO 82 1.220 -9.380 7.023
284 HB3 PRO 82 HB3 PRO 82 1.171 -7.711 6.433
285 HG2 PRO 82 HG2 PRO 82 0.764 -8.643 9.182
286 HG3 PRO 82 HG3 PRO 82 0.967 -6.982 8.571
287 HD2 PRO 82 HD2 PRO 82 -1.451 -8.439 9.316
288 HD3 PRO 82 HD3 PRO 82 -1.233 -6.693 8.959
289 H GLY 83 H GLY 83 -2.331 -9.762 4.769
290 HA2 GLY 83 HA2 GLY 83 -3.063 -11.878 4.234
291 HA3 GLY 83 HA3 GLY 83 -1.675 -12.543 5.122
Start of MODEL 3
1 H1 GLY 31 H GLY 31 19.465 -1.512 -6.635
2 HA2 GLY 31 HA2 GLY 31 18.817 -3.315 -4.362
3 HA3 GLY 31 HA3 GLY 31 19.852 -1.875 -4.247
4 H GLU 32 H GLU 32 16.516 -2.817 -5.302
5 HA GLU 32 HA GLU 32 15.510 -0.104 -4.990
6 HB2 GLU 32 HB2 GLU 32 14.394 -2.836 -5.689
7 HB3 GLU 32 HB3 GLU 32 13.290 -1.507 -5.290
8 HG2 GLU 32 HG2 GLU 32 14.120 -0.130 -7.052
9 HG3 GLU 32 HG3 GLU 32 15.459 -1.235 -7.390
10 H HIS 33 H HIS 33 13.303 -0.090 -3.683
11 HA HIS 33 HA HIS 33 14.008 -0.888 -0.920
12 HB2 HIS 33 HB2 HIS 33 13.087 1.572 -2.033
13 HB3 HIS 33 HB3 HIS 33 11.777 0.902 -1.048
14 HD2 HIS 33 HD2 HIS 33 15.529 0.404 -0.295
15 HE1 HIS 33 HE1 HIS 33 14.119 2.955 2.751
16 HE2 HIS 33 HE2 HIS 33 16.112 1.599 1.886
17 H THR 34 H THR 34 12.044 -1.304 0.610
18 HA THR 34 HA THR 34 10.633 -3.496 -0.641
19 HB THR 34 HB THR 34 9.984 -2.263 2.033
20 HG1 THR 34 HG1 THR 34 12.318 -3.808 1.459
21 HG21 THR 34 HG21 THR 34 9.643 -4.590 2.625
22 HG22 THR 34 HG22 THR 34 10.235 -5.107 1.012
23 HG23 THR 34 HG23 THR 34 8.772 -4.153 1.160
24 H THR 35 H THR 35 8.924 -3.120 -1.935
25 HA THR 35 HA THR 35 7.148 -0.829 -1.321
26 HB THR 35 HB THR 35 6.775 -0.417 -3.664
27 HG1 THR 35 HG1 THR 35 8.301 -2.632 -4.222
28 HG21 THR 35 HG21 THR 35 8.768 0.631 -2.466
29 HG22 THR 35 HG22 THR 35 8.744 0.707 -4.245
30 HG23 THR 35 HG23 THR 35 9.797 -0.460 -3.413
31 H CYS 36 H CYS 36 5.018 -1.162 -2.394
32 HA CYS 36 HA CYS 36 4.040 -3.821 -1.791
33 HB2 CYS 36 HB2 CYS 36 2.912 -1.503 -2.087
34 HB3 CYS 36 HB3 CYS 36 3.079 -1.752 -3.762
35 H GLY 37 H GLY 37 4.135 -5.625 -3.144
36 HA2 GLY 37 HA2 GLY 37 5.677 -6.047 -5.249
37 HA3 GLY 37 HA3 GLY 37 4.144 -6.899 -5.094
38 H CYS 38 H CYS 38 2.690 -4.254 -5.599
39 HA CYS 38 HA CYS 38 2.387 -4.478 -8.453
40 HB2 CYS 38 HB2 CYS 38 0.959 -2.568 -8.281
41 HB3 CYS 38 HB3 CYS 38 0.668 -3.643 -6.969
42 H GLY 39 H GLY 39 4.910 -2.927 -6.616
43 HA2 GLY 39 HA2 GLY 39 6.667 -1.806 -7.363
44 HA3 GLY 39 HA3 GLY 39 5.872 -1.451 -8.909
45 H GLU 40 H GLU 40 5.017 -0.783 -5.394
46 HA GLU 40 HA GLU 40 5.336 2.049 -5.824
47 HB2 GLU 40 HB2 GLU 40 3.208 1.772 -6.992
48 HB3 GLU 40 HB3 GLU 40 2.502 0.945 -5.596
49 HG2 GLU 40 HG2 GLU 40 2.357 2.890 -4.336
50 HG3 GLU 40 HG3 GLU 40 3.630 3.710 -5.281
51 H HIS 41 H HIS 41 6.146 2.693 -3.934
52 HA HIS 41 HA HIS 41 6.359 1.326 -1.518
53 HB2 HIS 41 HB2 HIS 41 6.625 4.155 -2.505
54 HB3 HIS 41 HB3 HIS 41 6.363 3.959 -0.784
55 HD1 HIS 41 HD1 HIS 41 9.219 3.205 -3.403
56 HD2 HIS 41 HD2 HIS 41 8.262 3.075 0.720
57 HE1 HIS 41 HE1 HIS 41 11.391 2.995 -2.139
58 H CYS 42 H CYS 42 4.823 0.902 0.095
59 HA CYS 42 HA CYS 42 2.516 2.626 0.501
60 HB2 CYS 42 HB2 CYS 42 2.024 1.313 -1.574
61 HB3 CYS 42 HB3 CYS 42 2.200 -0.110 -0.614
62 H GLY 43 H GLY 43 1.234 1.832 2.450
63 HA2 GLY 43 HA2 GLY 43 2.668 1.241 4.613
64 HA3 GLY 43 HA3 GLY 43 0.943 1.035 4.484
65 H CYS 44 H CYS 44 1.458 -1.060 2.598
66 HA CYS 44 HA CYS 44 1.585 -3.352 4.457
67 HB2 CYS 44 HB2 CYS 44 0.340 -4.490 2.901
68 HB3 CYS 44 HB3 CYS 44 0.128 -2.825 2.288
69 H ASN 45 H ASN 45 4.087 -1.647 3.059
70 HA ASN 45 HA ASN 45 5.846 -4.044 3.159
71 HB2 ASN 45 HB2 ASN 45 5.406 -2.213 0.854
72 HB3 ASN 45 HB3 ASN 45 7.031 -2.813 1.155
73 HD21 ASN 45 HD21 ASN 45 7.475 -5.134 1.037
74 HD22 ASN 45 HD22 ASN 45 6.549 -5.988 -0.147
75 HA PRO 46 HA PRO 46 7.498 -0.568 5.661
76 HB2 PRO 46 HB2 PRO 46 8.742 -2.175 7.566
77 HB3 PRO 46 HB3 PRO 46 7.054 -1.597 7.661
78 HG2 PRO 46 HG2 PRO 46 8.034 -4.285 6.757
79 HG3 PRO 46 HG3 PRO 46 6.610 -3.893 7.765
80 HD2 PRO 46 HD2 PRO 46 6.478 -4.455 5.094
81 HD3 PRO 46 HD3 PRO 46 5.330 -3.328 5.879
82 H CYS 47 H CYS 47 9.475 0.247 5.327
83 HA CYS 47 HA CYS 47 11.712 -1.370 4.281
84 HB2 CYS 47 HB2 CYS 47 12.074 0.604 2.749
85 HB3 CYS 47 HB3 CYS 47 10.670 -0.354 2.311
86 H ALA 48 H ALA 48 13.733 -0.084 4.381
87 HA ALA 48 HA ALA 48 14.355 1.057 6.831
88 HB1 ALA 48 HB1 ALA 48 16.454 1.710 5.806
89 HB2 ALA 48 HB2 ALA 48 15.948 0.133 5.169
90 HB3 ALA 48 HB3 ALA 48 15.735 1.611 4.192
91 H CYS 49 H CYS 49 12.594 2.613 4.506
92 HA CYS 49 HA CYS 49 13.229 5.323 5.600
93 HB2 CYS 49 HB2 CYS 49 12.953 6.340 3.640
94 HB3 CYS 49 HB3 CYS 49 13.725 4.901 3.118
95 H GLY 50 H GLY 50 10.842 2.897 5.448
96 HA2 GLY 50 HA2 GLY 50 8.655 2.776 6.132
97 HA3 GLY 50 HA3 GLY 50 9.005 4.208 7.096
98 H ARG 51 H ARG 51 9.431 4.881 3.838
99 HA ARG 51 HA ARG 51 7.202 6.702 3.752
100 HB2 ARG 51 HB2 ARG 51 9.255 7.061 2.376
101 HB3 ARG 51 HB3 ARG 51 8.839 5.654 1.385
102 HG2 ARG 51 HG2 ARG 51 6.690 6.777 0.711
103 HG3 ARG 51 HG3 ARG 51 7.197 8.215 1.593
104 HD2 ARG 51 HD2 ARG 51 9.234 8.270 0.057
105 HD3 ARG 51 HD3 ARG 51 8.461 6.967 -0.866
106 HE ARG 51 HE ARG 51 7.789 9.794 -0.796
107 HH11 ARG 51 HH11 ARG 51 6.405 6.605 -1.684
108 HH12 ARG 51 HH12 ARG 51 5.170 7.366 -2.676
109 HH21 ARG 51 HH21 ARG 51 6.249 10.623 -2.272
110 HH22 ARG 51 HH22 ARG 51 5.043 9.587 -2.952
111 H GLU 52 H GLU 52 5.179 6.460 2.921
112 HA GLU 52 HA GLU 52 4.611 3.989 1.409
113 HB2 GLU 52 HB2 GLU 52 2.447 3.767 2.664
114 HB3 GLU 52 HB3 GLU 52 3.948 3.224 3.399
115 HG2 GLU 52 HG2 GLU 52 4.004 5.266 4.826
116 HG3 GLU 52 HG3 GLU 52 2.405 5.709 4.151
117 H GLY 53 H GLY 53 4.524 7.296 1.260
118 HA2 GLY 53 HA2 GLY 53 3.759 8.523 -0.567
119 HA3 GLY 53 HA3 GLY 53 2.824 7.127 -1.128
120 H THR 54 H THR 54 1.345 9.222 -1.376
121 HA THR 54 HA THR 54 -0.020 9.978 1.083
122 HB THR 54 HB THR 54 -0.497 10.676 -1.855
123 HG1 THR 54 HG1 THR 54 0.634 12.580 -1.187
124 HG21 THR 54 HG21 THR 54 -2.584 10.981 -0.566
125 HG22 THR 54 HG22 THR 54 -1.861 12.559 -0.900
126 HG23 THR 54 HG23 THR 54 -1.698 11.820 0.712
127 HA PRO 55 HA PRO 55 -2.507 6.306 0.631
128 HB2 PRO 55 HB2 PRO 55 -4.102 6.597 2.798
129 HB3 PRO 55 HB3 PRO 55 -2.401 6.049 2.864
130 HG2 PRO 55 HG2 PRO 55 -3.535 8.825 3.316
131 HG3 PRO 55 HG3 PRO 55 -2.375 7.928 4.349
132 HD2 PRO 55 HD2 PRO 55 -1.555 9.770 2.532
133 HD3 PRO 55 HD3 PRO 55 -0.608 8.283 2.823
134 H SER 56 H SER 56 -4.929 5.818 0.532
135 HA SER 56 HA SER 56 -6.257 7.878 -1.102
136 HB2 SER 56 HB2 SER 56 -8.135 5.981 -0.900
137 HB3 SER 56 HB3 SER 56 -6.806 5.910 -2.070
138 HG SER 56 HG SER 56 -5.679 4.529 -0.773
139 H GLY 57 H GLY 57 -6.252 6.640 2.155
140 HA2 GLY 57 HA2 GLY 57 -7.070 7.332 4.106
141 HA3 GLY 57 HA3 GLY 57 -7.678 8.781 3.302
142 H ARG 58 H ARG 58 -9.497 8.507 1.993
143 HA ARG 58 HA ARG 58 -11.745 7.129 3.349
144 HB2 ARG 58 HB2 ARG 58 -11.538 9.430 1.367
145 HB3 ARG 58 HB3 ARG 58 -13.089 8.681 1.792
146 HG2 ARG 58 HG2 ARG 58 -12.862 9.224 4.100
147 HG3 ARG 58 HG3 ARG 58 -11.190 9.763 3.914
148 HD2 ARG 58 HD2 ARG 58 -13.507 11.136 2.520
149 HD3 ARG 58 HD3 ARG 58 -13.021 11.552 4.157
150 HE ARG 58 HE ARG 58 -11.432 11.919 1.667
151 HH11 ARG 58 HH11 ARG 58 -11.777 12.668 5.151
152 HH12 ARG 58 HH12 ARG 58 -10.801 14.076 5.061
153 HH21 ARG 58 HH21 ARG 58 -10.012 13.615 1.612
154 HH22 ARG 58 HH22 ARG 58 -9.686 14.652 2.969
155 H ALA 59 H ALA 59 -11.219 5.019 2.623
156 HA ALA 59 HA ALA 59 -12.484 4.300 0.200
157 HB1 ALA 59 HB1 ALA 59 -9.444 3.919 0.289
158 HB2 ALA 59 HB2 ALA 59 -10.540 3.194 -0.913
159 HB3 ALA 59 HB3 ALA 59 -10.340 4.942 -0.869
160 H ASN 60 H ASN 60 -12.624 1.874 0.167
161 HA ASN 60 HA ASN 60 -12.861 0.634 2.650
162 HB2 ASN 60 HB2 ASN 60 -13.190 -1.452 1.383
163 HB3 ASN 60 HB3 ASN 60 -14.086 -0.088 0.719
164 HD21 ASN 60 HD21 ASN 60 -14.097 -0.105 -1.502
165 HD22 ASN 60 HD22 ASN 60 -12.848 -0.792 -2.493
166 H ARG 61 H ARG 61 -9.926 1.379 1.528
167 HA ARG 61 HA ARG 61 -8.513 -1.097 2.281
168 HB2 ARG 61 HB2 ARG 61 -7.297 1.571 1.459
169 HB3 ARG 61 HB3 ARG 61 -6.459 0.043 1.656
170 HG2 ARG 61 HG2 ARG 61 -6.630 0.133 -0.616
171 HG3 ARG 61 HG3 ARG 61 -8.047 -0.851 -0.240
172 HD2 ARG 61 HD2 ARG 61 -9.532 0.982 -0.598
173 HD3 ARG 61 HD3 ARG 61 -8.234 2.172 -0.471
174 HE ARG 61 HE ARG 61 -9.026 0.544 -2.771
175 HH11 ARG 61 HH11 ARG 61 -6.842 3.079 -1.571
176 HH12 ARG 61 HH12 ARG 61 -6.057 3.331 -3.076
177 HH21 ARG 61 HH21 ARG 61 -8.266 1.254 -4.846
178 HH22 ARG 61 HH22 ARG 61 -7.149 2.549 -4.951
179 H ARG 62 H ARG 62 -6.352 -0.319 3.648
180 HA ARG 62 HA ARG 62 -7.329 0.094 6.334
181 HB2 ARG 62 HB2 ARG 62 -5.070 -0.962 4.961
182 HB3 ARG 62 HB3 ARG 62 -4.406 0.264 5.988
183 HG2 ARG 62 HG2 ARG 62 -5.566 -0.560 7.986
184 HG3 ARG 62 HG3 ARG 62 -6.406 -1.794 7.029
185 HD2 ARG 62 HD2 ARG 62 -4.249 -2.754 6.399
186 HD3 ARG 62 HD3 ARG 62 -3.408 -1.579 7.427
187 HE ARG 62 HE ARG 62 -5.357 -3.653 8.335
188 HH11 ARG 62 HH11 ARG 62 -2.695 -1.427 9.309
189 HH12 ARG 62 HH12 ARG 62 -2.334 -2.334 10.741
190 HH21 ARG 62 HH21 ARG 62 -5.091 -4.527 10.452
191 HH22 ARG 62 HH22 ARG 62 -3.914 -3.874 11.527
192 H ALA 63 H ALA 63 -7.255 2.547 4.349
193 HA ALA 63 HA ALA 63 -6.878 4.802 4.467
194 HB1 ALA 63 HB1 ALA 63 -6.323 4.510 7.424
195 HB2 ALA 63 HB2 ALA 63 -6.841 5.939 6.539
196 HB3 ALA 63 HB3 ALA 63 -7.962 4.577 6.705
197 H ASN 64 H ASN 64 -4.587 2.611 4.648
198 HA ASN 64 HA ASN 64 -2.305 4.499 4.493
199 HB2 ASN 64 HB2 ASN 64 -2.462 1.730 5.707
200 HB3 ASN 64 HB3 ASN 64 -0.937 2.525 5.336
201 HD21 ASN 64 HD21 ASN 64 -1.421 5.230 6.145
202 HD22 ASN 64 HD22 ASN 64 -1.722 5.207 7.854
203 H CYS 65 H CYS 65 -4.194 3.129 2.494
204 HA CYS 65 HA CYS 65 -2.079 1.814 0.867
205 HB2 CYS 65 HB2 CYS 65 -4.105 0.460 1.198
206 HB3 CYS 65 HB3 CYS 65 -4.988 1.684 0.320
207 H SER 66 H SER 66 -1.084 3.652 0.033
208 HA SER 66 HA SER 66 -2.344 5.853 -1.300
209 HB2 SER 66 HB2 SER 66 0.192 6.006 -1.965
210 HB3 SER 66 HB3 SER 66 -0.145 5.937 -0.216
211 HG SER 66 HG SER 66 1.441 4.488 -0.659
212 H CYS 67 H CYS 67 -1.188 2.830 -2.131
213 HA CYS 67 HA CYS 67 -1.117 3.328 -5.057
214 HB2 CYS 67 HB2 CYS 67 -0.128 1.257 -5.387
215 HB3 CYS 67 HB3 CYS 67 0.601 1.889 -3.912
216 H GLY 68 H GLY 68 -2.719 2.966 -6.560
217 HA2 GLY 68 HA2 GLY 68 -4.960 1.130 -5.861
218 HA3 GLY 68 HA3 GLY 68 -5.062 2.651 -6.797
219 H ALA 69 H ALA 69 -4.219 2.765 -8.778
220 HA ALA 69 HA ALA 69 -4.118 1.705 -10.848
221 HB1 ALA 69 HB1 ALA 69 -1.344 2.280 -9.842
222 HB2 ALA 69 HB2 ALA 69 -1.835 2.202 -11.546
223 HB3 ALA 69 HB3 ALA 69 -2.496 3.469 -10.496
224 H ALA 70 H ALA 70 -4.756 -0.153 -10.744
225 HA ALA 70 HA ALA 70 -5.034 -2.449 -11.020
226 HB1 ALA 70 HB1 ALA 70 -3.976 -1.692 -13.103
227 HB2 ALA 70 HB2 ALA 70 -2.377 -2.131 -12.453
228 HB3 ALA 70 HB3 ALA 70 -3.599 -3.388 -12.749
229 H CYS 71 H CYS 71 -3.571 -1.744 -8.524
230 HA CYS 71 HA CYS 71 -1.581 -3.788 -8.141
231 HB2 CYS 71 HB2 CYS 71 -1.539 -1.729 -6.905
232 HB3 CYS 71 HB3 CYS 71 -3.130 -2.080 -6.196
233 H ASN 72 H ASN 72 -2.016 -5.858 -7.988
234 HA ASN 72 HA ASN 72 -4.602 -6.840 -6.983
235 HB2 ASN 72 HB2 ASN 72 -4.018 -8.838 -8.110
236 HB3 ASN 72 HB3 ASN 72 -3.701 -7.489 -9.171
237 HD21 ASN 72 HD21 ASN 72 -2.337 -9.286 -10.236
238 HD22 ASN 72 HD22 ASN 72 -0.688 -9.310 -9.681
239 H CYS 73 H CYS 73 -1.805 -6.139 -5.579
240 HA CYS 73 HA CYS 73 -1.068 -8.309 -3.949
241 HB2 CYS 73 HB2 CYS 73 0.150 -6.275 -3.744
242 HB3 CYS 73 HB3 CYS 73 -1.380 -5.380 -3.530
243 H ALA 74 H ALA 74 -2.558 -9.706 -2.755
244 HA ALA 74 HA ALA 74 -5.070 -8.892 -1.837
245 HB1 ALA 74 HB1 ALA 74 -4.396 -11.239 -1.955
246 HB2 ALA 74 HB2 ALA 74 -3.231 -10.983 -0.618
247 HB3 ALA 74 HB3 ALA 74 -4.979 -10.835 -0.342
248 H SER 75 H SER 75 -1.804 -8.501 -0.118
249 HA SER 75 HA SER 75 -2.922 -7.762 2.349
250 HB2 SER 75 HB2 SER 75 -0.419 -6.791 1.019
251 HB3 SER 75 HB3 SER 75 -0.692 -6.914 2.786
252 HG SER 75 HG SER 75 -0.407 -9.040 2.691
253 H CYS 76 H CYS 76 -3.235 -6.196 -0.628
254 HA CYS 76 HA CYS 76 -3.829 -3.587 0.712
255 HB2 CYS 76 HB2 CYS 76 -2.761 -4.094 -2.079
256 HB3 CYS 76 HB3 CYS 76 -3.697 -2.691 -1.624
257 H GLY 77 H GLY 77 -5.178 -6.210 -1.453
258 HA2 GLY 77 HA2 GLY 77 -7.624 -4.544 -1.649
259 HA3 GLY 77 HA3 GLY 77 -7.079 -5.658 -2.872
260 H SER 78 H SER 78 -7.069 -6.206 0.731
261 HA SER 78 HA SER 78 -8.351 -8.773 0.441
262 HB2 SER 78 HB2 SER 78 -7.844 -6.928 2.801
263 HB3 SER 78 HB3 SER 78 -8.738 -8.442 2.963
264 HG SER 78 HG SER 78 -7.109 -9.595 2.686
265 H ALA 79 H ALA 79 -9.547 -5.529 0.444
266 HA ALA 79 HA ALA 79 -12.233 -6.019 1.430
267 HB1 ALA 79 HB1 ALA 79 -11.239 -3.740 1.398
268 HB2 ALA 79 HB2 ALA 79 -11.115 -3.827 -0.378
269 HB3 ALA 79 HB3 ALA 79 -12.707 -3.819 0.410
270 H THR 80 H THR 80 -14.132 -5.920 -0.163
271 HA THR 80 HA THR 80 -15.257 -6.813 -1.924
272 HB THR 80 HB THR 80 -14.367 -6.465 -4.217
273 HG1 THR 80 HG1 THR 80 -12.015 -6.206 -2.983
274 HG21 THR 80 HG21 THR 80 -14.386 -4.036 -4.143
275 HG22 THR 80 HG22 THR 80 -14.035 -4.040 -2.406
276 HG23 THR 80 HG23 THR 80 -15.584 -4.676 -2.997
277 H ALA 81 H ALA 81 -13.469 -8.540 -0.275
278 HA ALA 81 HA ALA 81 -12.187 -10.570 -1.531
279 HB1 ALA 81 HB1 ALA 81 -13.937 -10.571 0.962
280 HB2 ALA 81 HB2 ALA 81 -12.958 -11.946 0.510
281 HB3 ALA 81 HB3 ALA 81 -12.167 -10.414 0.848
282 HA PRO 82 HA PRO 82 -15.000 -13.099 -3.733
283 HB2 PRO 82 HB2 PRO 82 -13.948 -15.578 -3.564
284 HB3 PRO 82 HB3 PRO 82 -13.103 -14.225 -4.353
285 HG2 PRO 82 HG2 PRO 82 -12.756 -15.124 -1.451
286 HG3 PRO 82 HG3 PRO 82 -11.468 -14.955 -2.682
287 HD2 PRO 82 HD2 PRO 82 -11.953 -12.955 -1.020
288 HD3 PRO 82 HD3 PRO 82 -11.700 -12.596 -2.745
289 H GLY 83 H GLY 83 -16.805 -12.640 -2.437
290 HA2 GLY 83 HA2 GLY 83 -18.813 -13.405 -1.603
291 HA3 GLY 83 HA3 GLY 83 -18.118 -15.026 -1.444
Start of MODEL 4
1 H1 GLY 31 H GLY 31 17.727 2.030 -7.258
2 HA2 GLY 31 HA2 GLY 31 18.473 1.651 -4.408
3 HA3 GLY 31 HA3 GLY 31 17.707 3.124 -5.046
4 H GLU 32 H GLU 32 16.997 -0.367 -5.738
5 HA GLU 32 HA GLU 32 14.174 0.010 -5.671
6 HB2 GLU 32 HB2 GLU 32 15.110 -1.741 -6.991
7 HB3 GLU 32 HB3 GLU 32 16.045 -2.386 -5.621
8 HG2 GLU 32 HG2 GLU 32 14.233 -3.375 -4.607
9 HG3 GLU 32 HG3 GLU 32 13.080 -2.264 -5.329
10 H HIS 33 H HIS 33 12.767 -0.149 -3.984
11 HA HIS 33 HA HIS 33 13.883 -0.787 -1.304
12 HB2 HIS 33 HB2 HIS 33 12.672 1.598 -2.248
13 HB3 HIS 33 HB3 HIS 33 11.538 0.817 -1.146
14 HD2 HIS 33 HD2 HIS 33 15.423 0.709 -0.810
15 HE1 HIS 33 HE1 HIS 33 14.023 3.126 2.377
16 HE2 HIS 33 HE2 HIS 33 16.060 2.066 1.372
17 H THR 34 H THR 34 12.021 -1.406 0.315
18 HA THR 34 HA THR 34 10.664 -3.698 -0.877
19 HB THR 34 HB THR 34 10.133 -2.599 1.877
20 HG1 THR 34 HG1 THR 34 12.577 -3.742 0.945
21 HG21 THR 34 HG21 THR 34 10.183 -5.001 2.456
22 HG22 THR 34 HG22 THR 34 10.602 -5.400 0.771
23 HG23 THR 34 HG23 THR 34 9.037 -4.661 1.168
24 H THR 35 H THR 35 9.000 -3.215 -2.180
25 HA THR 35 HA THR 35 7.138 -1.015 -1.497
26 HB THR 35 HB THR 35 6.902 -0.882 -4.076
27 HG1 THR 35 HG1 THR 35 8.124 -2.701 -4.646
28 HG21 THR 35 HG21 THR 35 8.036 0.792 -2.560
29 HG22 THR 35 HG22 THR 35 8.652 0.780 -4.213
30 HG23 THR 35 HG23 THR 35 9.581 0.007 -2.909
31 H CYS 36 H CYS 36 5.035 -1.338 -2.367
32 HA CYS 36 HA CYS 36 4.071 -3.997 -1.971
33 HB2 CYS 36 HB2 CYS 36 2.856 -1.681 -2.000
34 HB3 CYS 36 HB3 CYS 36 2.963 -1.813 -3.702
35 H GLY 37 H GLY 37 3.875 -5.734 -3.400
36 HA2 GLY 37 HA2 GLY 37 5.265 -6.252 -5.532
37 HA3 GLY 37 HA3 GLY 37 3.655 -6.917 -5.346
38 H CYS 38 H CYS 38 2.699 -4.032 -5.773
39 HA CYS 38 HA CYS 38 2.229 -4.189 -8.672
40 HB2 CYS 38 HB2 CYS 38 0.716 -2.438 -8.326
41 HB3 CYS 38 HB3 CYS 38 0.454 -3.603 -7.077
42 H GLY 39 H GLY 39 4.739 -3.193 -6.958
43 HA2 GLY 39 HA2 GLY 39 6.625 -1.955 -7.348
44 HA3 GLY 39 HA3 GLY 39 5.940 -1.469 -8.917
45 H GLU 40 H GLU 40 4.872 -0.960 -5.369
46 HA GLU 40 HA GLU 40 5.141 1.909 -5.839
47 HB2 GLU 40 HB2 GLU 40 2.948 0.915 -6.837
48 HB3 GLU 40 HB3 GLU 40 2.410 0.790 -5.158
49 HG2 GLU 40 HG2 GLU 40 2.809 3.228 -4.967
50 HG3 GLU 40 HG3 GLU 40 3.251 3.261 -6.689
51 H HIS 41 H HIS 41 5.781 2.724 -3.951
52 HA HIS 41 HA HIS 41 6.134 1.281 -1.562
53 HB2 HIS 41 HB2 HIS 41 6.233 4.160 -2.327
54 HB3 HIS 41 HB3 HIS 41 5.987 3.845 -0.626
55 HD1 HIS 41 HD1 HIS 41 8.819 3.474 -3.295
56 HD2 HIS 41 HD2 HIS 41 7.993 2.920 0.810
57 HE1 HIS 41 HE1 HIS 41 11.040 3.042 -2.142
58 H CYS 42 H CYS 42 4.883 0.754 0.126
59 HA CYS 42 HA CYS 42 2.360 2.082 0.689
60 HB2 CYS 42 HB2 CYS 42 1.824 0.630 -1.191
61 HB3 CYS 42 HB3 CYS 42 2.347 -0.787 -0.223
62 H GLY 43 H GLY 43 1.452 1.301 2.857
63 HA2 GLY 43 HA2 GLY 43 3.443 0.725 4.696
64 HA3 GLY 43 HA3 GLY 43 1.701 0.582 4.971
65 H CYS 44 H CYS 44 1.581 -1.404 2.795
66 HA CYS 44 HA CYS 44 1.899 -3.778 4.419
67 HB2 CYS 44 HB2 CYS 44 0.906 -4.934 2.584
68 HB3 CYS 44 HB3 CYS 44 0.169 -3.314 2.719
69 H ASN 45 H ASN 45 4.329 -2.041 3.105
70 HA ASN 45 HA ASN 45 6.035 -4.379 2.853
71 HB2 ASN 45 HB2 ASN 45 5.544 -2.351 0.728
72 HB3 ASN 45 HB3 ASN 45 7.179 -3.004 0.924
73 HD21 ASN 45 HD21 ASN 45 7.604 -5.243 0.462
74 HD22 ASN 45 HD22 ASN 45 6.509 -6.098 -0.534
75 HA PRO 46 HA PRO 46 7.721 -1.066 5.587
76 HB2 PRO 46 HB2 PRO 46 9.027 -2.797 7.306
77 HB3 PRO 46 HB3 PRO 46 7.299 -2.333 7.459
78 HG2 PRO 46 HG2 PRO 46 8.502 -4.827 6.254
79 HG3 PRO 46 HG3 PRO 46 7.081 -4.680 7.338
80 HD2 PRO 46 HD2 PRO 46 6.887 -4.938 4.626
81 HD3 PRO 46 HD3 PRO 46 5.687 -3.977 5.554
82 H CYS 47 H CYS 47 9.696 -0.157 5.237
83 HA CYS 47 HA CYS 47 11.966 -1.651 4.075
84 HB2 CYS 47 HB2 CYS 47 12.224 0.429 2.617
85 HB3 CYS 47 HB3 CYS 47 10.930 -0.672 2.130
86 H ALA 48 H ALA 48 13.946 -0.312 4.243
87 HA ALA 48 HA ALA 48 14.559 0.823 6.613
88 HB1 ALA 48 HB1 ALA 48 15.626 1.315 3.815
89 HB2 ALA 48 HB2 ALA 48 16.387 2.050 5.214
90 HB3 ALA 48 HB3 ALA 48 16.309 0.287 5.098
91 H CYS 49 H CYS 49 12.748 2.463 4.210
92 HA CYS 49 HA CYS 49 13.187 5.110 5.523
93 HB2 CYS 49 HB2 CYS 49 12.557 6.237 3.709
94 HB3 CYS 49 HB3 CYS 49 13.490 4.986 3.003
95 H GLY 50 H GLY 50 10.828 2.563 5.364
96 HA2 GLY 50 HA2 GLY 50 8.634 2.418 6.019
97 HA3 GLY 50 HA3 GLY 50 9.165 3.520 7.291
98 H ARG 51 H ARG 51 8.756 4.161 3.825
99 HA ARG 51 HA ARG 51 6.826 6.367 4.379
100 HB2 ARG 51 HB2 ARG 51 9.077 6.949 3.435
101 HB3 ARG 51 HB3 ARG 51 8.722 5.944 2.028
102 HG2 ARG 51 HG2 ARG 51 6.757 8.102 2.670
103 HG3 ARG 51 HG3 ARG 51 8.353 8.606 2.129
104 HD2 ARG 51 HD2 ARG 51 8.156 7.273 0.075
105 HD3 ARG 51 HD3 ARG 51 6.539 6.714 0.551
106 HE ARG 51 HE ARG 51 6.252 9.376 0.769
107 HH11 ARG 51 HH11 ARG 51 7.383 7.467 -2.084
108 HH12 ARG 51 HH12 ARG 51 7.065 8.779 -3.135
109 HH21 ARG 51 HH21 ARG 51 6.064 11.084 -0.689
110 HH22 ARG 51 HH22 ARG 51 6.578 10.875 -2.337
111 H GLU 52 H GLU 52 4.976 6.506 3.028
112 HA GLU 52 HA GLU 52 4.626 4.434 0.986
113 HB2 GLU 52 HB2 GLU 52 2.398 3.808 1.827
114 HB3 GLU 52 HB3 GLU 52 3.724 3.295 2.856
115 HG2 GLU 52 HG2 GLU 52 2.638 5.889 3.724
116 HG3 GLU 52 HG3 GLU 52 1.372 4.684 3.545
117 H GLY 53 H GLY 53 4.108 7.584 1.956
118 HA2 GLY 53 HA2 GLY 53 3.487 9.398 0.571
119 HA3 GLY 53 HA3 GLY 53 2.941 8.269 -0.671
120 H THR 54 H THR 54 1.312 10.362 -0.265
121 HA THR 54 HA THR 54 -0.501 10.397 1.738
122 HB THR 54 HB THR 54 -1.385 10.901 -1.103
123 HG1 THR 54 HG1 THR 54 -0.358 13.096 -0.355
124 HG21 THR 54 HG21 THR 54 -1.856 12.382 1.520
125 HG22 THR 54 HG22 THR 54 -2.992 11.235 0.788
126 HG23 THR 54 HG23 THR 54 -2.623 12.735 -0.051
127 HA PRO 55 HA PRO 55 -2.711 6.539 1.242
128 HB2 PRO 55 HB2 PRO 55 -4.541 6.886 3.253
129 HB3 PRO 55 HB3 PRO 55 -2.868 6.315 3.446
130 HG2 PRO 55 HG2 PRO 55 -3.977 9.057 3.914
131 HG3 PRO 55 HG3 PRO 55 -2.738 8.168 4.857
132 HD2 PRO 55 HD2 PRO 55 -2.149 10.114 3.038
133 HD3 PRO 55 HD3 PRO 55 -1.055 8.742 3.399
134 H SER 56 H SER 56 -4.840 5.875 0.416
135 HA SER 56 HA SER 56 -5.795 7.756 -1.452
136 HB2 SER 56 HB2 SER 56 -7.231 5.967 -2.175
137 HB3 SER 56 HB3 SER 56 -5.560 5.438 -1.947
138 HG SER 56 HG SER 56 -7.736 4.406 -0.981
139 H GLY 57 H GLY 57 -7.520 6.620 1.514
140 HA2 GLY 57 HA2 GLY 57 -9.301 7.435 2.593
141 HA3 GLY 57 HA3 GLY 57 -9.184 8.892 1.628
142 H ARG 58 H ARG 58 -9.674 7.404 -0.961
143 HA ARG 58 HA ARG 58 -12.549 7.460 -0.816
144 HB2 ARG 58 HB2 ARG 58 -12.564 7.313 -3.173
145 HB3 ARG 58 HB3 ARG 58 -11.323 8.424 -2.669
146 HG2 ARG 58 HG2 ARG 58 -10.279 7.355 -4.387
147 HG3 ARG 58 HG3 ARG 58 -9.632 6.478 -3.018
148 HD2 ARG 58 HD2 ARG 58 -10.190 4.983 -4.909
149 HD3 ARG 58 HD3 ARG 58 -11.245 4.604 -3.534
150 HE ARG 58 HE ARG 58 -12.408 6.604 -5.202
151 HH11 ARG 58 HH11 ARG 58 -12.020 3.032 -5.284
152 HH12 ARG 58 HH12 ARG 58 -13.559 2.823 -6.039
153 HH21 ARG 58 HH21 ARG 58 -14.252 6.314 -6.109
154 HH22 ARG 58 HH22 ARG 58 -14.975 4.773 -6.422
155 H ALA 59 H ALA 59 -10.853 5.080 0.379
156 HA ALA 59 HA ALA 59 -12.925 3.129 -0.072
157 HB1 ALA 59 HB1 ALA 59 -10.031 2.486 -0.801
158 HB2 ALA 59 HB2 ALA 59 -11.338 1.298 -0.662
159 HB3 ALA 59 HB3 ALA 59 -11.406 2.525 -1.938
160 H ASN 60 H ASN 60 -13.015 1.678 1.552
161 HA ASN 60 HA ASN 60 -11.924 2.530 4.087
162 HB2 ASN 60 HB2 ASN 60 -13.233 0.653 5.045
163 HB3 ASN 60 HB3 ASN 60 -14.149 1.824 4.125
164 HD21 ASN 60 HD21 ASN 60 -12.413 -1.180 3.216
165 HD22 ASN 60 HD22 ASN 60 -13.760 -1.915 2.339
166 H ARG 61 H ARG 61 -9.754 2.359 3.246
167 HA ARG 61 HA ARG 61 -8.563 -0.389 3.549
168 HB2 ARG 61 HB2 ARG 61 -7.124 2.060 2.471
169 HB3 ARG 61 HB3 ARG 61 -6.591 0.361 2.416
170 HG2 ARG 61 HG2 ARG 61 -8.526 -0.168 0.936
171 HG3 ARG 61 HG3 ARG 61 -8.940 1.561 0.914
172 HD2 ARG 61 HD2 ARG 61 -6.791 2.131 -0.056
173 HD3 ARG 61 HD3 ARG 61 -6.273 0.433 0.036
174 HE ARG 61 HE ARG 61 -8.487 0.159 -1.453
175 HH11 ARG 61 HH11 ARG 61 -6.058 2.752 -1.817
176 HH12 ARG 61 HH12 ARG 61 -6.400 2.958 -3.474
177 HH21 ARG 61 HH21 ARG 61 -8.762 0.292 -3.588
178 HH22 ARG 61 HH22 ARG 61 -7.834 1.312 -4.642
179 H ARG 62 H ARG 62 -6.104 0.086 4.468
180 HA ARG 62 HA ARG 62 -6.477 0.549 7.253
181 HB2 ARG 62 HB2 ARG 62 -4.622 -0.700 5.559
182 HB3 ARG 62 HB3 ARG 62 -3.687 0.616 6.172
183 HG2 ARG 62 HG2 ARG 62 -3.271 -1.159 7.652
184 HG3 ARG 62 HG3 ARG 62 -4.325 -0.075 8.556
185 HD2 ARG 62 HD2 ARG 62 -5.695 -2.193 6.949
186 HD3 ARG 62 HD3 ARG 62 -4.653 -2.790 8.225
187 HE ARG 62 HE ARG 62 -6.906 -0.866 8.711
188 HH11 ARG 62 HH11 ARG 62 -5.382 -4.009 9.537
189 HH12 ARG 62 HH12 ARG 62 -6.627 -4.369 10.679
190 HH21 ARG 62 HH21 ARG 62 -8.275 -1.260 10.492
191 HH22 ARG 62 HH22 ARG 62 -8.298 -2.829 11.199
192 H ALA 63 H ALA 63 -6.620 2.959 5.255
193 HA ALA 63 HA ALA 63 -6.119 5.168 5.204
194 HB1 ALA 63 HB1 ALA 63 -5.942 6.400 7.225
195 HB2 ALA 63 HB2 ALA 63 -7.090 5.077 7.493
196 HB3 ALA 63 HB3 ALA 63 -5.421 4.988 8.130
197 H ASN 64 H ASN 64 -3.959 3.020 5.052
198 HA ASN 64 HA ASN 64 -1.592 4.807 4.816
199 HB2 ASN 64 HB2 ASN 64 -1.772 2.106 6.226
200 HB3 ASN 64 HB3 ASN 64 -0.248 2.756 5.616
201 HD21 ASN 64 HD21 ASN 64 -2.913 3.445 7.959
202 HD22 ASN 64 HD22 ASN 64 -1.897 4.501 8.912
203 H CYS 65 H CYS 65 -3.748 3.296 2.964
204 HA CYS 65 HA CYS 65 -1.661 1.927 1.297
205 HB2 CYS 65 HB2 CYS 65 -3.522 0.489 1.925
206 HB3 CYS 65 HB3 CYS 65 -4.597 1.668 1.105
207 H SER 66 H SER 66 -1.044 4.095 0.679
208 HA SER 66 HA SER 66 -2.512 6.027 -0.727
209 HB2 SER 66 HB2 SER 66 -0.103 6.294 -1.734
210 HB3 SER 66 HB3 SER 66 -0.229 6.366 0.020
211 HG SER 66 HG SER 66 1.417 4.975 -0.511
212 H CYS 67 H CYS 67 -1.087 3.147 -1.596
213 HA CYS 67 HA CYS 67 -1.219 3.408 -4.474
214 HB2 CYS 67 HB2 CYS 67 0.084 1.619 -4.523
215 HB3 CYS 67 HB3 CYS 67 0.459 2.110 -2.931
216 H GLY 68 H GLY 68 -2.697 2.451 -6.153
217 HA2 GLY 68 HA2 GLY 68 -4.899 0.792 -5.202
218 HA3 GLY 68 HA3 GLY 68 -5.184 2.395 -5.923
219 H ALA 69 H ALA 69 -3.348 2.760 -7.827
220 HA ALA 69 HA ALA 69 -4.083 1.480 -10.056
221 HB1 ALA 69 HB1 ALA 69 -1.920 2.177 -11.034
222 HB2 ALA 69 HB2 ALA 69 -2.654 3.442 -10.051
223 HB3 ALA 69 HB3 ALA 69 -1.283 2.492 -9.412
224 H ALA 70 H ALA 70 -3.750 -0.178 -10.982
225 HA ALA 70 HA ALA 70 -3.780 -2.582 -11.093
226 HB1 ALA 70 HB1 ALA 70 -1.601 -3.258 -12.157
227 HB2 ALA 70 HB2 ALA 70 -2.458 -1.911 -12.910
228 HB3 ALA 70 HB3 ALA 70 -1.052 -1.594 -11.880
229 H CYS 71 H CYS 71 -4.005 -2.420 -8.567
230 HA CYS 71 HA CYS 71 -1.674 -3.786 -7.360
231 HB2 CYS 71 HB2 CYS 71 -2.739 -1.672 -6.452
232 HB3 CYS 71 HB3 CYS 71 -4.035 -2.702 -5.865
233 H ASN 72 H ASN 72 -1.916 -5.945 -8.094
234 HA ASN 72 HA ASN 72 -4.280 -7.440 -7.184
235 HB2 ASN 72 HB2 ASN 72 -3.352 -9.278 -8.238
236 HB3 ASN 72 HB3 ASN 72 -2.979 -7.924 -9.323
237 HD21 ASN 72 HD21 ASN 72 -1.602 -10.374 -9.487
238 HD22 ASN 72 HD22 ASN 72 0.040 -9.994 -9.018
239 H CYS 73 H CYS 73 -1.607 -6.315 -5.632
240 HA CYS 73 HA CYS 73 -0.691 -8.402 -3.942
241 HB2 CYS 73 HB2 CYS 73 0.398 -6.276 -3.783
242 HB3 CYS 73 HB3 CYS 73 -1.158 -5.473 -3.583
243 H ALA 74 H ALA 74 -2.116 -9.812 -2.886
244 HA ALA 74 HA ALA 74 -4.719 -9.519 -2.231
245 HB1 ALA 74 HB1 ALA 74 -4.405 -11.313 -0.613
246 HB2 ALA 74 HB2 ALA 74 -3.416 -11.613 -2.042
247 HB3 ALA 74 HB3 ALA 74 -2.663 -11.009 -0.551
248 H SER 75 H SER 75 -1.992 -8.467 -0.134
249 HA SER 75 HA SER 75 -3.403 -7.706 2.152
250 HB2 SER 75 HB2 SER 75 -1.450 -6.740 2.779
251 HB3 SER 75 HB3 SER 75 -0.806 -7.387 1.266
252 HG SER 75 HG SER 75 -1.663 -4.838 2.015
253 H CYS 76 H CYS 76 -3.109 -6.141 -0.839
254 HA CYS 76 HA CYS 76 -4.666 -3.741 -0.022
255 HB2 CYS 76 HB2 CYS 76 -3.143 -4.243 -2.583
256 HB3 CYS 76 HB3 CYS 76 -4.027 -2.801 -2.107
257 H GLY 77 H GLY 77 -5.210 -6.766 -1.722
258 HA2 GLY 77 HA2 GLY 77 -7.253 -5.769 -3.499
259 HA3 GLY 77 HA3 GLY 77 -6.978 -7.446 -2.945
260 H SER 78 H SER 78 -7.001 -7.200 -0.157
261 HA SER 78 HA SER 78 -9.726 -7.133 0.434
262 HB2 SER 78 HB2 SER 78 -8.988 -7.412 2.749
263 HB3 SER 78 HB3 SER 78 -8.155 -8.505 1.643
264 HG SER 78 HG SER 78 -6.911 -7.400 3.312
265 H ALA 79 H ALA 79 -11.053 -5.584 0.892
266 HA ALA 79 HA ALA 79 -10.357 -3.079 2.204
267 HB1 ALA 79 HB1 ALA 79 -9.954 -2.516 -0.180
268 HB2 ALA 79 HB2 ALA 79 -11.554 -3.157 -0.608
269 HB3 ALA 79 HB3 ALA 79 -11.429 -1.713 0.420
270 H THR 80 H THR 80 -11.475 -4.914 3.530
271 HA THR 80 HA THR 80 -14.428 -4.646 3.272
272 HB THR 80 HB THR 80 -14.517 -7.011 3.990
273 HG1 THR 80 HG1 THR 80 -12.812 -8.132 4.426
274 HG21 THR 80 HG21 THR 80 -12.676 -6.774 1.565
275 HG22 THR 80 HG22 THR 80 -14.423 -6.470 1.521
276 HG23 THR 80 HG23 THR 80 -13.790 -8.076 1.950
277 H ALA 81 H ALA 81 -15.592 -5.012 5.325
278 HA ALA 81 HA ALA 81 -14.330 -5.015 7.836
279 HB1 ALA 81 HB1 ALA 81 -13.840 -2.616 7.298
280 HB2 ALA 81 HB2 ALA 81 -15.561 -2.366 6.925
281 HB3 ALA 81 HB3 ALA 81 -15.058 -2.749 8.578
282 HA PRO 82 HA PRO 82 -18.492 -6.439 8.428
283 HB2 PRO 82 HB2 PRO 82 -18.878 -6.106 11.152
284 HB3 PRO 82 HB3 PRO 82 -17.838 -7.374 10.422
285 HG2 PRO 82 HG2 PRO 82 -17.009 -4.693 11.552
286 HG3 PRO 82 HG3 PRO 82 -16.257 -6.298 11.827
287 HD2 PRO 82 HD2 PRO 82 -15.299 -4.509 10.023
288 HD3 PRO 82 HD3 PRO 82 -15.249 -6.279 9.703
289 H GLY 83 H GLY 83 -17.698 -3.104 9.434
290 HA2 GLY 83 HA2 GLY 83 -19.467 -1.582 8.287
291 HA3 GLY 83 HA3 GLY 83 -20.520 -2.287 9.545
Start of MODEL 5
1 H1 GLY 31 H GLY 31 18.978 -1.714 -7.099
2 HA2 GLY 31 HA2 GLY 31 19.693 -2.246 -4.266
3 HA3 GLY 31 HA3 GLY 31 20.276 -0.809 -5.133
4 H GLU 32 H GLU 32 17.174 -2.572 -4.668
5 HA GLU 32 HA GLU 32 15.646 -0.069 -4.774
6 HB2 GLU 32 HB2 GLU 32 15.431 -2.621 -5.870
7 HB3 GLU 32 HB3 GLU 32 14.328 -2.729 -4.507
8 HG2 GLU 32 HG2 GLU 32 13.104 -0.760 -5.373
9 HG3 GLU 32 HG3 GLU 32 14.277 -0.635 -6.713
10 H HIS 33 H HIS 33 13.457 -0.590 -3.394
11 HA HIS 33 HA HIS 33 14.217 -1.128 -0.596
12 HB2 HIS 33 HB2 HIS 33 13.420 1.393 -1.681
13 HB3 HIS 33 HB3 HIS 33 12.054 0.746 -0.773
14 HD2 HIS 33 HD2 HIS 33 15.748 0.177 0.167
15 HE1 HIS 33 HE1 HIS 33 14.279 2.969 2.991
16 HE2 HIS 33 HE2 HIS 33 16.331 1.661 2.228
17 H THR 34 H THR 34 12.178 -1.551 0.770
18 HA THR 34 HA THR 34 10.747 -3.626 -0.525
19 HB THR 34 HB THR 34 9.705 -2.464 2.010
20 HG1 THR 34 HG1 THR 34 12.243 -3.643 2.222
21 HG21 THR 34 HG21 THR 34 10.788 -5.175 1.150
22 HG22 THR 34 HG22 THR 34 9.094 -4.677 1.285
23 HG23 THR 34 HG23 THR 34 10.091 -4.813 2.735
24 H THR 35 H THR 35 9.039 -3.373 -1.776
25 HA THR 35 HA THR 35 7.205 -1.099 -1.442
26 HB THR 35 HB THR 35 7.112 -0.846 -3.941
27 HG1 THR 35 HG1 THR 35 8.218 -2.841 -4.465
28 HG21 THR 35 HG21 THR 35 9.911 -0.237 -2.914
29 HG22 THR 35 HG22 THR 35 8.480 0.667 -2.409
30 HG23 THR 35 HG23 THR 35 8.959 0.672 -4.114
31 H CYS 36 H CYS 36 5.208 -1.488 -2.433
32 HA CYS 36 HA CYS 36 4.250 -4.156 -2.181
33 HB2 CYS 36 HB2 CYS 36 3.074 -1.842 -2.124
34 HB3 CYS 36 HB3 CYS 36 3.255 -1.786 -3.850
35 H GLY 37 H GLY 37 4.355 -5.790 -3.649
36 HA2 GLY 37 HA2 GLY 37 5.886 -5.991 -5.826
37 HA3 GLY 37 HA3 GLY 37 4.406 -6.929 -5.671
38 H CYS 38 H CYS 38 2.929 -4.193 -5.901
39 HA CYS 38 HA CYS 38 2.510 -4.389 -8.785
40 HB2 CYS 38 HB2 CYS 38 0.955 -2.691 -8.697
41 HB3 CYS 38 HB3 CYS 38 0.676 -3.831 -7.462
42 H GLY 39 H GLY 39 4.871 -2.960 -6.927
43 HA2 GLY 39 HA2 GLY 39 6.751 -1.889 -7.499
44 HA3 GLY 39 HA3 GLY 39 6.017 -1.250 -8.980
45 H GLU 40 H GLU 40 5.062 -0.849 -5.383
46 HA GLU 40 HA GLU 40 5.836 1.921 -5.600
47 HB2 GLU 40 HB2 GLU 40 3.853 2.599 -5.960
48 HB3 GLU 40 HB3 GLU 40 3.243 1.053 -6.258
49 HG2 GLU 40 HG2 GLU 40 3.135 2.033 -3.363
50 HG3 GLU 40 HG3 GLU 40 2.135 2.755 -4.566
51 H HIS 41 H HIS 41 6.327 2.838 -3.679
52 HA HIS 41 HA HIS 41 6.665 1.385 -1.252
53 HB2 HIS 41 HB2 HIS 41 6.963 4.170 -2.355
54 HB3 HIS 41 HB3 HIS 41 6.642 4.075 -0.643
55 HD1 HIS 41 HD1 HIS 41 9.513 3.255 -3.151
56 HD2 HIS 41 HD2 HIS 41 8.533 3.224 0.956
57 HE1 HIS 41 HE1 HIS 41 11.620 2.731 -1.924
58 H CYS 42 H CYS 42 4.871 0.680 -0.047
59 HA CYS 42 HA CYS 42 2.544 2.463 0.283
60 HB2 CYS 42 HB2 CYS 42 2.235 1.019 -1.674
61 HB3 CYS 42 HB3 CYS 42 2.389 -0.421 -0.680
62 H GLY 43 H GLY 43 1.277 1.924 2.119
63 HA2 GLY 43 HA2 GLY 43 2.574 1.194 4.377
64 HA3 GLY 43 HA3 GLY 43 0.856 1.222 4.180
65 H CYS 44 H CYS 44 2.148 -1.064 2.314
66 HA CYS 44 HA CYS 44 1.428 -3.290 4.200
67 HB2 CYS 44 HB2 CYS 44 0.489 -4.428 2.352
68 HB3 CYS 44 HB3 CYS 44 0.050 -2.693 2.124
69 H ASN 45 H ASN 45 4.048 -1.640 3.015
70 HA ASN 45 HA ASN 45 5.750 -4.060 3.037
71 HB2 ASN 45 HB2 ASN 45 5.362 -2.159 0.749
72 HB3 ASN 45 HB3 ASN 45 6.996 -2.758 1.085
73 HD21 ASN 45 HD21 ASN 45 7.475 -4.967 0.931
74 HD22 ASN 45 HD22 ASN 45 6.579 -5.972 -0.146
75 HA PRO 46 HA PRO 46 7.171 -0.520 5.648
76 HB2 PRO 46 HB2 PRO 46 8.055 -2.057 7.768
77 HB3 PRO 46 HB3 PRO 46 6.379 -1.437 7.602
78 HG2 PRO 46 HG2 PRO 46 7.454 -4.178 6.865
79 HG3 PRO 46 HG3 PRO 46 5.961 -3.780 7.778
80 HD2 PRO 46 HD2 PRO 46 5.864 -4.344 5.131
81 HD3 PRO 46 HD3 PRO 46 4.857 -3.043 5.791
82 H CYS 47 H CYS 47 9.091 0.192 5.075
83 HA CYS 47 HA CYS 47 11.385 -1.583 4.433
84 HB2 CYS 47 HB2 CYS 47 12.017 0.360 2.970
85 HB3 CYS 47 HB3 CYS 47 10.576 -0.487 2.384
86 H ALA 48 H ALA 48 13.484 -0.268 4.655
87 HA ALA 48 HA ALA 48 13.944 0.707 7.199
88 HB1 ALA 48 HB1 ALA 48 15.461 1.516 4.696
89 HB2 ALA 48 HB2 ALA 48 16.081 1.377 6.349
90 HB3 ALA 48 HB3 ALA 48 15.603 -0.078 5.443
91 H CYS 49 H CYS 49 12.507 2.415 4.650
92 HA CYS 49 HA CYS 49 12.974 5.032 6.013
93 HB2 CYS 49 HB2 CYS 49 12.871 6.198 4.108
94 HB3 CYS 49 HB3 CYS 49 13.785 4.815 3.647
95 H GLY 50 H GLY 50 10.547 2.714 5.507
96 HA2 GLY 50 HA2 GLY 50 8.270 2.694 5.785
97 HA3 GLY 50 HA3 GLY 50 8.610 3.927 7.006
98 H ARG 51 H ARG 51 9.235 4.772 3.693
99 HA ARG 51 HA ARG 51 7.263 6.914 3.790
100 HB2 ARG 51 HB2 ARG 51 9.421 7.127 2.612
101 HB3 ARG 51 HB3 ARG 51 8.967 5.875 1.470
102 HG2 ARG 51 HG2 ARG 51 7.265 8.382 1.780
103 HG3 ARG 51 HG3 ARG 51 8.741 8.402 0.824
104 HD2 ARG 51 HD2 ARG 51 7.857 6.511 -0.557
105 HD3 ARG 51 HD3 ARG 51 6.336 6.608 0.325
106 HE ARG 51 HE ARG 51 7.032 9.172 -0.753
107 HH11 ARG 51 HH11 ARG 51 5.658 6.017 -1.737
108 HH12 ARG 51 HH12 ARG 51 4.696 6.728 -2.991
109 HH21 ARG 51 HH21 ARG 51 5.831 10.028 -2.515
110 HH22 ARG 51 HH22 ARG 51 5.134 8.944 -3.657
111 H GLU 52 H GLU 52 5.126 6.323 3.673
112 HA GLU 52 HA GLU 52 4.445 3.983 1.981
113 HB2 GLU 52 HB2 GLU 52 2.612 5.441 3.900
114 HB3 GLU 52 HB3 GLU 52 2.360 3.866 3.157
115 HG2 GLU 52 HG2 GLU 52 4.350 4.605 5.332
116 HG3 GLU 52 HG3 GLU 52 2.964 3.552 5.443
117 H GLY 53 H GLY 53 4.487 7.283 1.728
118 HA2 GLY 53 HA2 GLY 53 4.053 8.520 -0.234
119 HA3 GLY 53 HA3 GLY 53 3.080 7.172 -0.878
120 H THR 54 H THR 54 1.492 8.899 -1.405
121 HA THR 54 HA THR 54 0.098 10.030 0.944
122 HB THR 54 HB THR 54 -0.208 10.652 -2.012
123 HG1 THR 54 HG1 THR 54 1.205 12.119 -1.703
124 HG21 THR 54 HG21 THR 54 -2.247 11.178 -0.802
125 HG22 THR 54 HG22 THR 54 -1.362 12.700 -1.005
126 HG23 THR 54 HG23 THR 54 -1.340 11.861 0.547
127 HA PRO 55 HA PRO 55 -2.501 6.390 0.146
128 HB2 PRO 55 HB2 PRO 55 -3.715 6.305 2.563
129 HB3 PRO 55 HB3 PRO 55 -2.042 5.718 2.286
130 HG2 PRO 55 HG2 PRO 55 -2.903 8.432 3.355
131 HG3 PRO 55 HG3 PRO 55 -1.720 7.290 4.084
132 HD2 PRO 55 HD2 PRO 55 -0.873 9.281 2.533
133 HD3 PRO 55 HD3 PRO 55 -0.178 7.637 2.395
134 H SER 56 H SER 56 -4.832 6.142 0.112
135 HA SER 56 HA SER 56 -6.327 8.727 -0.058
136 HB2 SER 56 HB2 SER 56 -6.775 6.252 -1.753
137 HB3 SER 56 HB3 SER 56 -7.513 7.850 -1.938
138 HG SER 56 HG SER 56 -5.290 8.639 -2.263
139 H GLY 57 H GLY 57 -7.216 8.730 1.969
140 HA2 GLY 57 HA2 GLY 57 -8.410 6.364 3.189
141 HA3 GLY 57 HA3 GLY 57 -8.341 8.017 3.828
142 H ARG 58 H ARG 58 -9.690 6.351 0.993
143 HA ARG 58 HA ARG 58 -12.410 7.479 1.494
144 HB2 ARG 58 HB2 ARG 58 -10.936 7.680 -1.157
145 HB3 ARG 58 HB3 ARG 58 -12.590 8.213 -0.845
146 HG2 ARG 58 HG2 ARG 58 -10.092 9.426 0.446
147 HG3 ARG 58 HG3 ARG 58 -10.875 10.054 -0.971
148 HD2 ARG 58 HD2 ARG 58 -12.444 9.736 1.611
149 HD3 ARG 58 HD3 ARG 58 -11.409 11.142 1.306
150 HE ARG 58 HE ARG 58 -13.009 10.749 -0.968
151 HH11 ARG 58 HH11 ARG 58 -13.556 11.688 2.457
152 HH12 ARG 58 HH12 ARG 58 -14.911 12.671 2.082
153 HH21 ARG 58 HH21 ARG 58 -14.692 12.190 -1.443
154 HH22 ARG 58 HH22 ARG 58 -15.474 13.078 -0.194
155 H ALA 59 H ALA 59 -11.368 4.934 2.073
156 HA ALA 59 HA ALA 59 -13.116 3.173 0.652
157 HB1 ALA 59 HB1 ALA 59 -10.102 2.835 0.307
158 HB2 ALA 59 HB2 ALA 59 -11.328 1.617 -0.123
159 HB3 ALA 59 HB3 ALA 59 -11.283 3.154 -0.992
160 H ASN 60 H ASN 60 -12.873 0.956 1.563
161 HA ASN 60 HA ASN 60 -12.837 0.881 4.385
162 HB2 ASN 60 HB2 ASN 60 -12.554 -1.570 2.632
163 HB3 ASN 60 HB3 ASN 60 -13.373 -1.405 4.177
164 HD21 ASN 60 HD21 ASN 60 -13.922 -1.736 0.914
165 HD22 ASN 60 HD22 ASN 60 -15.531 -1.037 0.855
166 H ARG 61 H ARG 61 -10.157 1.235 2.639
167 HA ARG 61 HA ARG 61 -8.378 -0.837 3.552
168 HB2 ARG 61 HB2 ARG 61 -7.611 1.846 2.348
169 HB3 ARG 61 HB3 ARG 61 -6.620 0.366 2.426
170 HG2 ARG 61 HG2 ARG 61 -8.164 -0.814 0.984
171 HG3 ARG 61 HG3 ARG 61 -9.225 0.616 0.886
172 HD2 ARG 61 HD2 ARG 61 -7.312 1.891 -0.091
173 HD3 ARG 61 HD3 ARG 61 -6.426 0.351 -0.166
174 HE ARG 61 HE ARG 61 -8.288 -0.549 -1.551
175 HH11 ARG 61 HH11 ARG 61 -8.345 3.004 -1.312
176 HH12 ARG 61 HH12 ARG 61 -9.257 3.201 -2.754
177 HH21 ARG 61 HH21 ARG 61 -9.073 -0.253 -3.646
178 HH22 ARG 61 HH22 ARG 61 -9.638 1.293 -4.171
179 H ARG 62 H ARG 62 -6.126 0.347 4.403
180 HA ARG 62 HA ARG 62 -6.791 1.103 7.204
181 HB2 ARG 62 HB2 ARG 62 -4.723 -0.402 5.703
182 HB3 ARG 62 HB3 ARG 62 -4.022 0.670 6.846
183 HG2 ARG 62 HG2 ARG 62 -4.430 -1.613 7.743
184 HG3 ARG 62 HG3 ARG 62 -5.183 -0.349 8.719
185 HD2 ARG 62 HD2 ARG 62 -7.364 -0.954 8.053
186 HD3 ARG 62 HD3 ARG 62 -6.789 -1.780 6.604
187 HE ARG 62 HE ARG 62 -6.725 -3.710 7.768
188 HH11 ARG 62 HH11 ARG 62 -6.744 -1.193 10.284
189 HH12 ARG 62 HH12 ARG 62 -6.649 -2.327 11.563
190 HH21 ARG 62 HH21 ARG 62 -6.626 -5.156 9.410
191 HH22 ARG 62 HH22 ARG 62 -6.449 -4.654 11.073
192 H ALA 63 H ALA 63 -6.852 3.083 4.929
193 HA ALA 63 HA ALA 63 -6.178 5.227 4.407
194 HB1 ALA 63 HB1 ALA 63 -7.265 5.638 6.548
195 HB2 ALA 63 HB2 ALA 63 -5.722 5.369 7.407
196 HB3 ALA 63 HB3 ALA 63 -5.913 6.738 6.307
197 H ASN 64 H ASN 64 -4.104 3.126 4.509
198 HA ASN 64 HA ASN 64 -1.675 4.864 4.337
199 HB2 ASN 64 HB2 ASN 64 -2.053 2.312 5.886
200 HB3 ASN 64 HB3 ASN 64 -0.465 2.741 5.214
201 HD21 ASN 64 HD21 ASN 64 -2.853 3.618 7.728
202 HD22 ASN 64 HD22 ASN 64 -1.738 4.729 8.491
203 H CYS 65 H CYS 65 -3.820 2.912 2.612
204 HA CYS 65 HA CYS 65 -1.650 1.696 1.010
205 HB2 CYS 65 HB2 CYS 65 -3.608 0.273 1.420
206 HB3 CYS 65 HB3 CYS 65 -4.648 1.501 0.750
207 H SER 66 H SER 66 -0.698 3.156 -0.360
208 HA SER 66 HA SER 66 -1.947 5.468 -1.517
209 HB2 SER 66 HB2 SER 66 0.554 5.705 -2.105
210 HB3 SER 66 HB3 SER 66 0.144 5.596 -0.376
211 HG SER 66 HG SER 66 1.796 4.218 -0.757
212 H CYS 67 H CYS 67 -1.988 2.455 -2.396
213 HA CYS 67 HA CYS 67 -1.007 2.428 -5.218
214 HB2 CYS 67 HB2 CYS 67 -3.233 0.765 -3.985
215 HB3 CYS 67 HB3 CYS 67 -2.508 0.410 -5.538
216 H GLY 68 H GLY 68 -2.559 1.845 -7.064
217 HA2 GLY 68 HA2 GLY 68 -5.038 3.457 -7.139
218 HA3 GLY 68 HA3 GLY 68 -3.878 3.246 -8.484
219 H ALA 69 H ALA 69 -6.061 2.144 -9.430
220 HA ALA 69 HA ALA 69 -6.753 -0.431 -8.296
221 HB1 ALA 69 HB1 ALA 69 -8.294 0.900 -9.739
222 HB2 ALA 69 HB2 ALA 69 -7.224 0.568 -11.116
223 HB3 ALA 69 HB3 ALA 69 -8.066 -0.756 -10.298
224 H ALA 70 H ALA 70 -4.079 0.593 -10.203
225 HA ALA 70 HA ALA 70 -3.498 -1.877 -11.591
226 HB1 ALA 70 HB1 ALA 70 -1.682 0.479 -10.910
227 HB2 ALA 70 HB2 ALA 70 -1.372 -0.779 -12.119
228 HB3 ALA 70 HB3 ALA 70 -2.697 0.367 -12.360
229 H CYS 71 H CYS 71 -3.975 -3.037 -9.385
230 HA CYS 71 HA CYS 71 -1.424 -3.961 -8.361
231 HB2 CYS 71 HB2 CYS 71 -1.768 -1.927 -7.020
232 HB3 CYS 71 HB3 CYS 71 -3.388 -2.475 -6.563
233 H ASN 72 H ASN 72 -1.616 -6.106 -7.988
234 HA ASN 72 HA ASN 72 -4.269 -7.182 -7.183
235 HB2 ASN 72 HB2 ASN 72 -1.992 -8.562 -8.618
236 HB3 ASN 72 HB3 ASN 72 -3.478 -9.336 -8.062
237 HD21 ASN 72 HD21 ASN 72 -5.433 -9.158 -9.445
238 HD22 ASN 72 HD22 ASN 72 -5.395 -8.073 -10.814
239 H CYS 73 H CYS 73 -1.419 -6.285 -5.669
240 HA CYS 73 HA CYS 73 -0.741 -8.465 -3.963
241 HB2 CYS 73 HB2 CYS 73 0.508 -6.516 -3.659
242 HB3 CYS 73 HB3 CYS 73 -0.954 -5.505 -3.596
243 H ALA 74 H ALA 74 -2.202 -9.777 -2.834
244 HA ALA 74 HA ALA 74 -4.823 -9.165 -2.207
245 HB1 ALA 74 HB1 ALA 74 -4.783 -11.075 -0.737
246 HB2 ALA 74 HB2 ALA 74 -3.806 -11.438 -2.173
247 HB3 ALA 74 HB3 ALA 74 -3.031 -11.040 -0.625
248 H SER 75 H SER 75 -1.888 -8.539 -0.200
249 HA SER 75 HA SER 75 -3.234 -7.684 2.137
250 HB2 SER 75 HB2 SER 75 -0.542 -7.148 0.912
251 HB3 SER 75 HB3 SER 75 -1.044 -6.208 2.310
252 HG SER 75 HG SER 75 -1.046 -9.065 2.305
253 H CYS 76 H CYS 76 -3.217 -6.204 -0.967
254 HA CYS 76 HA CYS 76 -4.140 -3.575 0.229
255 HB2 CYS 76 HB2 CYS 76 -2.888 -4.204 -2.486
256 HB3 CYS 76 HB3 CYS 76 -3.721 -2.756 -2.004
257 H GLY 77 H GLY 77 -5.202 -6.354 -1.748
258 HA2 GLY 77 HA2 GLY 77 -7.247 -4.765 -3.094
259 HA3 GLY 77 HA3 GLY 77 -7.109 -6.529 -3.032
260 H SER 78 H SER 78 -7.265 -7.378 -0.650
261 HA SER 78 HA SER 78 -9.823 -6.513 0.461
262 HB2 SER 78 HB2 SER 78 -7.946 -8.774 1.303
263 HB3 SER 78 HB3 SER 78 -9.667 -8.605 1.682
264 HG SER 78 HG SER 78 -9.652 -9.951 0.001
265 H ALA 79 H ALA 79 -9.950 -6.454 2.849
266 HA ALA 79 HA ALA 79 -7.690 -5.800 4.473
267 HB1 ALA 79 HB1 ALA 79 -8.406 -3.472 5.014
268 HB2 ALA 79 HB2 ALA 79 -7.919 -3.631 3.308
269 HB3 ALA 79 HB3 ALA 79 -9.642 -3.564 3.741
270 H THR 80 H THR 80 -11.176 -5.781 3.960
271 HA THR 80 HA THR 80 -12.162 -5.717 6.522
272 HB THR 80 HB THR 80 -13.470 -5.453 4.576
273 HG1 THR 80 HG1 THR 80 -14.675 -6.285 6.272
274 HG21 THR 80 HG21 THR 80 -12.289 -7.127 3.048
275 HG22 THR 80 HG22 THR 80 -14.061 -7.101 2.957
276 HG23 THR 80 HG23 THR 80 -13.250 -8.395 3.830
277 H ALA 81 H ALA 81 -11.548 -8.789 4.712
278 HA ALA 81 HA ALA 81 -10.926 -10.186 7.232
279 HB1 ALA 81 HB1 ALA 81 -12.517 -11.974 6.587
280 HB2 ALA 81 HB2 ALA 81 -13.375 -10.441 6.748
281 HB3 ALA 81 HB3 ALA 81 -12.978 -11.066 5.133
282 HA PRO 82 HA PRO 82 -7.664 -11.890 4.884
283 HB2 PRO 82 HB2 PRO 82 -7.725 -14.615 5.536
284 HB3 PRO 82 HB3 PRO 82 -7.036 -13.323 6.549
285 HG2 PRO 82 HG2 PRO 82 -9.793 -14.539 6.706
286 HG3 PRO 82 HG3 PRO 82 -8.670 -14.147 8.054
287 HD2 PRO 82 HD2 PRO 82 -10.681 -12.518 7.481
288 HD3 PRO 82 HD3 PRO 82 -9.076 -11.830 7.845
289 H GLY 83 H GLY 83 -10.638 -13.920 4.588
290 HA2 GLY 83 HA2 GLY 83 -9.817 -14.633 1.834
291 HA3 GLY 83 HA3 GLY 83 -11.008 -15.487 2.818
Start of MODEL 6
1 H1 GLY 31 H GLY 31 13.473 -0.064 -8.879
2 HA2 GLY 31 HA2 GLY 31 13.459 1.456 -6.952
3 HA3 GLY 31 HA3 GLY 31 11.985 0.614 -6.404
4 H GLU 32 H GLU 32 14.689 0.868 -5.078
5 HA GLU 32 HA GLU 32 15.475 -2.009 -4.898
6 HB2 GLU 32 HB2 GLU 32 16.968 0.583 -4.394
7 HB3 GLU 32 HB3 GLU 32 17.642 -1.025 -4.056
8 HG2 GLU 32 HG2 GLU 32 17.842 -1.583 -6.300
9 HG3 GLU 32 HG3 GLU 32 16.584 -0.481 -6.821
10 H HIS 33 H HIS 33 13.179 -0.874 -3.546
11 HA HIS 33 HA HIS 33 14.019 -1.288 -0.733
12 HB2 HIS 33 HB2 HIS 33 13.036 1.180 -1.815
13 HB3 HIS 33 HB3 HIS 33 11.796 0.515 -0.766
14 HD2 HIS 33 HD2 HIS 33 15.617 0.221 -0.190
15 HE1 HIS 33 HE1 HIS 33 14.219 2.885 2.777
16 HE2 HIS 33 HE2 HIS 33 16.239 1.619 1.930
17 H THR 34 H THR 34 12.032 -1.658 0.713
18 HA THR 34 HA THR 34 10.484 -3.843 -0.369
19 HB THR 34 HB THR 34 9.650 -2.520 2.164
20 HG1 THR 34 HG1 THR 34 12.249 -3.667 1.911
21 HG21 THR 34 HG21 THR 34 10.644 -5.334 1.688
22 HG22 THR 34 HG22 THR 34 8.963 -4.824 1.475
23 HG23 THR 34 HG23 THR 34 9.727 -4.732 3.076
24 H THR 35 H THR 35 8.901 -3.381 -1.793
25 HA THR 35 HA THR 35 7.284 -0.901 -1.508
26 HB THR 35 HB THR 35 7.245 -0.907 -4.042
27 HG1 THR 35 HG1 THR 35 7.991 -3.040 -4.384
28 HG21 THR 35 HG21 THR 35 8.562 0.713 -2.962
29 HG22 THR 35 HG22 THR 35 9.543 0.058 -4.298
30 HG23 THR 35 HG23 THR 35 9.896 -0.414 -2.644
31 H CYS 36 H CYS 36 5.096 -1.169 -2.583
32 HA CYS 36 HA CYS 36 4.068 -3.785 -2.014
33 HB2 CYS 36 HB2 CYS 36 2.947 -1.428 -2.175
34 HB3 CYS 36 HB3 CYS 36 3.055 -1.632 -3.883
35 H GLY 37 H GLY 37 4.136 -5.517 -3.358
36 HA2 GLY 37 HA2 GLY 37 5.572 -5.982 -5.529
37 HA3 GLY 37 HA3 GLY 37 4.054 -6.829 -5.263
38 H CYS 38 H CYS 38 2.697 -4.064 -5.763
39 HA CYS 38 HA CYS 38 2.225 -4.485 -8.613
40 HB2 CYS 38 HB2 CYS 38 0.692 -2.654 -8.483
41 HB3 CYS 38 HB3 CYS 38 0.446 -3.704 -7.169
42 H GLY 39 H GLY 39 4.639 -2.821 -6.810
43 HA2 GLY 39 HA2 GLY 39 6.568 -1.961 -7.643
44 HA3 GLY 39 HA3 GLY 39 5.767 -1.418 -9.126
45 H GLU 40 H GLU 40 4.886 -0.716 -5.544
46 HA GLU 40 HA GLU 40 5.836 1.959 -5.913
47 HB2 GLU 40 HB2 GLU 40 3.948 2.765 -6.392
48 HB3 GLU 40 HB3 GLU 40 3.224 1.250 -6.660
49 HG2 GLU 40 HG2 GLU 40 3.038 2.463 -3.870
50 HG3 GLU 40 HG3 GLU 40 2.067 3.034 -5.184
51 H HIS 41 H HIS 41 6.289 2.964 -3.983
52 HA HIS 41 HA HIS 41 6.463 1.461 -1.549
53 HB2 HIS 41 HB2 HIS 41 6.898 4.309 -2.421
54 HB3 HIS 41 HB3 HIS 41 6.524 4.039 -0.734
55 HD1 HIS 41 HD1 HIS 41 9.415 3.224 -3.227
56 HD2 HIS 41 HD2 HIS 41 8.364 3.188 0.859
57 HE1 HIS 41 HE1 HIS 41 11.474 2.638 -1.946
58 H CYS 42 H CYS 42 4.784 0.994 -0.194
59 HA CYS 42 HA CYS 42 2.499 2.795 0.152
60 HB2 CYS 42 HB2 CYS 42 2.070 1.293 -1.814
61 HB3 CYS 42 HB3 CYS 42 2.194 -0.027 -0.742
62 H GLY 43 H GLY 43 1.120 1.870 2.084
63 HA2 GLY 43 HA2 GLY 43 2.793 1.471 4.251
64 HA3 GLY 43 HA3 GLY 43 1.066 1.209 4.225
65 H CYS 44 H CYS 44 1.568 -0.981 2.307
66 HA CYS 44 HA CYS 44 1.711 -3.094 4.296
67 HB2 CYS 44 HB2 CYS 44 0.573 -4.421 2.819
68 HB3 CYS 44 HB3 CYS 44 0.171 -2.813 2.194
69 H ASN 45 H ASN 45 4.185 -1.557 2.883
70 HA ASN 45 HA ASN 45 5.874 -3.998 3.245
71 HB2 ASN 45 HB2 ASN 45 5.879 -2.078 0.969
72 HB3 ASN 45 HB3 ASN 45 7.319 -3.005 1.395
73 HD21 ASN 45 HD21 ASN 45 7.286 -5.443 1.141
74 HD22 ASN 45 HD22 ASN 45 6.210 -6.013 -0.033
75 HA PRO 46 HA PRO 46 7.276 -0.460 5.843
76 HB2 PRO 46 HB2 PRO 46 7.901 -1.896 8.072
77 HB3 PRO 46 HB3 PRO 46 6.266 -1.256 7.688
78 HG2 PRO 46 HG2 PRO 46 7.288 -4.083 7.370
79 HG3 PRO 46 HG3 PRO 46 5.673 -3.512 7.883
80 HD2 PRO 46 HD2 PRO 46 6.292 -4.371 5.296
81 HD3 PRO 46 HD3 PRO 46 4.955 -3.251 5.714
82 H CYS 47 H CYS 47 8.976 -0.065 4.760
83 HA CYS 47 HA CYS 47 11.335 -1.820 4.440
84 HB2 CYS 47 HB2 CYS 47 11.961 0.123 2.890
85 HB3 CYS 47 HB3 CYS 47 10.474 -0.688 2.395
86 H ALA 48 H ALA 48 13.406 -0.599 4.431
87 HA ALA 48 HA ALA 48 14.334 0.419 6.744
88 HB1 ALA 48 HB1 ALA 48 15.125 0.378 3.874
89 HB2 ALA 48 HB2 ALA 48 15.998 1.563 4.863
90 HB3 ALA 48 HB3 ALA 48 16.017 -0.153 5.297
91 H CYS 49 H CYS 49 12.274 2.192 4.741
92 HA CYS 49 HA CYS 49 12.924 4.749 6.061
93 HB2 CYS 49 HB2 CYS 49 12.781 5.979 4.156
94 HB3 CYS 49 HB3 CYS 49 13.650 4.541 3.653
95 H GLY 50 H GLY 50 10.598 2.339 5.600
96 HA2 GLY 50 HA2 GLY 50 8.358 2.127 5.851
97 HA3 GLY 50 HA3 GLY 50 8.547 3.450 6.997
98 H ARG 51 H ARG 51 9.239 4.550 3.912
99 HA ARG 51 HA ARG 51 7.090 6.379 3.814
100 HB2 ARG 51 HB2 ARG 51 9.271 6.664 2.718
101 HB3 ARG 51 HB3 ARG 51 8.896 5.413 1.555
102 HG2 ARG 51 HG2 ARG 51 6.841 7.478 1.471
103 HG3 ARG 51 HG3 ARG 51 8.439 8.212 1.355
104 HD2 ARG 51 HD2 ARG 51 8.964 6.552 -0.490
105 HD3 ARG 51 HD3 ARG 51 7.278 6.033 -0.408
106 HE ARG 51 HE ARG 51 6.569 7.999 -1.426
107 HH11 ARG 51 HH11 ARG 51 10.100 8.313 -0.765
108 HH12 ARG 51 HH12 ARG 51 10.311 9.446 -2.058
109 HH21 ARG 51 HH21 ARG 51 6.862 9.715 -2.840
110 HH22 ARG 51 HH22 ARG 51 8.410 10.474 -2.964
111 H GLU 52 H GLU 52 5.110 6.450 2.807
112 HA GLU 52 HA GLU 52 4.374 4.168 1.074
113 HB2 GLU 52 HB2 GLU 52 2.231 3.923 2.137
114 HB3 GLU 52 HB3 GLU 52 3.574 3.518 3.206
115 HG2 GLU 52 HG2 GLU 52 3.201 5.459 4.551
116 HG3 GLU 52 HG3 GLU 52 2.149 6.195 3.323
117 H GLY 53 H GLY 53 4.574 7.468 1.216
118 HA2 GLY 53 HA2 GLY 53 4.025 8.908 -0.535
119 HA3 GLY 53 HA3 GLY 53 2.904 7.694 -1.204
120 H THR 54 H THR 54 1.332 9.468 -1.404
121 HA THR 54 HA THR 54 0.172 10.403 1.169
122 HB THR 54 HB THR 54 -0.426 11.479 -1.606
123 HG1 THR 54 HG1 THR 54 1.610 12.276 0.189
124 HG21 THR 54 HG21 THR 54 -1.153 13.441 -0.272
125 HG22 THR 54 HG22 THR 54 -0.737 12.559 1.216
126 HG23 THR 54 HG23 THR 54 -2.038 11.960 0.174
127 HA PRO 55 HA PRO 55 -2.608 7.163 -0.228
128 HB2 PRO 55 HB2 PRO 55 -3.527 6.351 2.161
129 HB3 PRO 55 HB3 PRO 55 -1.848 5.970 1.644
130 HG2 PRO 55 HG2 PRO 55 -2.767 8.261 3.412
131 HG3 PRO 55 HG3 PRO 55 -1.512 7.029 3.765
132 HD2 PRO 55 HD2 PRO 55 -0.870 9.429 2.689
133 HD3 PRO 55 HD3 PRO 55 -0.045 7.916 2.177
134 H SER 56 H SER 56 -4.844 7.024 -0.321
135 HA SER 56 HA SER 56 -6.501 9.072 0.997
136 HB2 SER 56 HB2 SER 56 -7.542 9.603 -1.257
137 HB3 SER 56 HB3 SER 56 -5.981 10.342 -0.870
138 HG SER 56 HG SER 56 -5.561 9.624 -2.792
139 H GLY 57 H GLY 57 -6.009 6.131 1.013
140 HA2 GLY 57 HA2 GLY 57 -8.344 4.798 -0.083
141 HA3 GLY 57 HA3 GLY 57 -7.105 4.117 0.983
142 H ARG 58 H ARG 58 -9.063 6.997 1.595
143 HA ARG 58 HA ARG 58 -9.892 6.249 4.262
144 HB2 ARG 58 HB2 ARG 58 -11.063 8.402 4.184
145 HB3 ARG 58 HB3 ARG 58 -9.382 8.563 3.697
146 HG2 ARG 58 HG2 ARG 58 -9.915 9.017 1.452
147 HG3 ARG 58 HG3 ARG 58 -11.479 8.230 1.536
148 HD2 ARG 58 HD2 ARG 58 -11.968 10.539 1.474
149 HD3 ARG 58 HD3 ARG 58 -12.252 10.042 3.137
150 HE ARG 58 HE ARG 58 -10.420 11.226 3.866
151 HH11 ARG 58 HH11 ARG 58 -10.578 11.429 0.301
152 HH12 ARG 58 HH12 ARG 58 -9.187 12.416 0.146
153 HH21 ARG 58 HH21 ARG 58 -8.763 12.748 3.669
154 HH22 ARG 58 HH22 ARG 58 -8.043 13.153 2.133
155 H ALA 59 H ALA 59 -10.770 4.232 2.671
156 HA ALA 59 HA ALA 59 -13.697 4.403 2.776
157 HB1 ALA 59 HB1 ALA 59 -13.030 4.806 0.391
158 HB2 ALA 59 HB2 ALA 59 -12.092 3.292 0.406
159 HB3 ALA 59 HB3 ALA 59 -13.867 3.267 0.582
160 H ASN 60 H ASN 60 -13.458 1.646 1.551
161 HA ASN 60 HA ASN 60 -13.270 0.148 3.929
162 HB2 ASN 60 HB2 ASN 60 -13.075 -0.918 1.086
163 HB3 ASN 60 HB3 ASN 60 -13.694 -1.767 2.508
164 HD21 ASN 60 HD21 ASN 60 -14.676 -0.149 -0.271
165 HD22 ASN 60 HD22 ASN 60 -16.268 0.356 0.280
166 H ARG 61 H ARG 61 -10.627 1.519 2.638
167 HA ARG 61 HA ARG 61 -8.857 -0.885 2.798
168 HB2 ARG 61 HB2 ARG 61 -7.833 1.863 2.047
169 HB3 ARG 61 HB3 ARG 61 -7.147 0.303 1.654
170 HG2 ARG 61 HG2 ARG 61 -9.590 1.662 0.438
171 HG3 ARG 61 HG3 ARG 61 -8.069 1.272 -0.352
172 HD2 ARG 61 HD2 ARG 61 -8.589 -1.158 -0.175
173 HD3 ARG 61 HD3 ARG 61 -10.103 -0.775 0.646
174 HE ARG 61 HE ARG 61 -11.050 0.165 -1.253
175 HH11 ARG 61 HH11 ARG 61 -8.096 -1.679 -1.993
176 HH12 ARG 61 HH12 ARG 61 -8.476 -1.714 -3.695
177 HH21 ARG 61 HH21 ARG 61 -11.363 0.224 -3.446
178 HH22 ARG 61 HH22 ARG 61 -10.299 -0.605 -4.542
179 H ARG 62 H ARG 62 -6.540 0.010 3.835
180 HA ARG 62 HA ARG 62 -7.297 0.466 6.634
181 HB2 ARG 62 HB2 ARG 62 -5.154 -0.711 5.133
182 HB3 ARG 62 HB3 ARG 62 -4.424 0.507 6.099
183 HG2 ARG 62 HG2 ARG 62 -5.124 -0.340 8.166
184 HG3 ARG 62 HG3 ARG 62 -6.377 -1.376 7.460
185 HD2 ARG 62 HD2 ARG 62 -4.906 -2.954 6.699
186 HD3 ARG 62 HD3 ARG 62 -3.526 -1.846 6.669
187 HE ARG 62 HE ARG 62 -3.833 -1.873 9.261
188 HH11 ARG 62 HH11 ARG 62 -4.484 -4.825 7.404
189 HH12 ARG 62 HH12 ARG 62 -3.819 -5.854 8.629
190 HH21 ARG 62 HH21 ARG 62 -2.902 -3.195 10.766
191 HH22 ARG 62 HH22 ARG 62 -3.023 -4.914 10.660
192 H ALA 63 H ALA 63 -7.349 2.746 4.381
193 HA ALA 63 HA ALA 63 -6.900 4.940 4.163
194 HB1 ALA 63 HB1 ALA 63 -6.468 4.952 7.172
195 HB2 ALA 63 HB2 ALA 63 -6.826 6.333 6.127
196 HB3 ALA 63 HB3 ALA 63 -8.037 5.064 6.343
197 H ASN 64 H ASN 64 -4.556 2.828 4.971
198 HA ASN 64 HA ASN 64 -2.238 4.633 4.614
199 HB2 ASN 64 HB2 ASN 64 -2.566 1.940 5.985
200 HB3 ASN 64 HB3 ASN 64 -0.996 2.626 5.541
201 HD21 ASN 64 HD21 ASN 64 -3.988 3.394 7.519
202 HD22 ASN 64 HD22 ASN 64 -3.115 4.389 8.619
203 H CYS 65 H CYS 65 -4.160 3.285 2.550
204 HA CYS 65 HA CYS 65 -1.996 2.006 0.935
205 HB2 CYS 65 HB2 CYS 65 -4.049 0.647 1.340
206 HB3 CYS 65 HB3 CYS 65 -4.966 1.814 0.491
207 H SER 66 H SER 66 -1.054 3.367 -0.480
208 HA SER 66 HA SER 66 -2.563 5.646 -1.563
209 HB2 SER 66 HB2 SER 66 -0.382 6.043 -0.332
210 HB3 SER 66 HB3 SER 66 0.432 5.067 -1.568
211 HG SER 66 HG SER 66 -0.796 6.644 -3.034
212 H CYS 67 H CYS 67 -2.177 2.615 -2.380
213 HA CYS 67 HA CYS 67 -1.083 2.757 -5.132
214 HB2 CYS 67 HB2 CYS 67 -3.263 0.835 -4.275
215 HB3 CYS 67 HB3 CYS 67 -2.186 0.676 -5.665
216 H GLY 68 H GLY 68 -2.328 2.504 -7.190
217 HA2 GLY 68 HA2 GLY 68 -5.169 2.990 -7.300
218 HA3 GLY 68 HA3 GLY 68 -4.169 4.366 -7.762
219 H ALA 69 H ALA 69 -2.099 1.976 -8.614
220 HA ALA 69 HA ALA 69 -3.355 1.457 -11.233
221 HB1 ALA 69 HB1 ALA 69 -0.438 2.020 -10.556
222 HB2 ALA 69 HB2 ALA 69 -1.075 1.601 -12.157
223 HB3 ALA 69 HB3 ALA 69 -1.548 3.131 -11.390
224 H ALA 70 H ALA 70 -3.459 -0.391 -11.828
225 HA ALA 70 HA ALA 70 -3.958 -2.663 -11.409
226 HB1 ALA 70 HB1 ALA 70 -2.277 -3.827 -12.752
227 HB2 ALA 70 HB2 ALA 70 -2.692 -2.255 -13.452
228 HB3 ALA 70 HB3 ALA 70 -1.166 -2.458 -12.563
229 H CYS 71 H CYS 71 -3.897 -2.507 -8.994
230 HA CYS 71 HA CYS 71 -1.569 -4.050 -7.906
231 HB2 CYS 71 HB2 CYS 71 -1.898 -1.825 -6.905
232 HB3 CYS 71 HB3 CYS 71 -3.468 -2.389 -6.304
233 H ASN 72 H ASN 72 -1.894 -6.088 -7.697
234 HA ASN 72 HA ASN 72 -4.556 -7.080 -6.792
235 HB2 ASN 72 HB2 ASN 72 -2.381 -8.471 -8.437
236 HB3 ASN 72 HB3 ASN 72 -3.855 -9.228 -7.843
237 HD21 ASN 72 HD21 ASN 72 -2.763 -8.365 -10.754
238 HD22 ASN 72 HD22 ASN 72 -4.182 -7.639 -11.411
239 H CYS 73 H CYS 73 -1.736 -6.221 -5.457
240 HA CYS 73 HA CYS 73 -0.847 -8.420 -3.886
241 HB2 CYS 73 HB2 CYS 73 0.359 -6.393 -3.663
242 HB3 CYS 73 HB3 CYS 73 -1.200 -5.485 -3.561
243 H ALA 74 H ALA 74 -2.190 -9.781 -2.594
244 HA ALA 74 HA ALA 74 -4.776 -9.165 -1.769
245 HB1 ALA 74 HB1 ALA 74 -3.638 -11.434 -1.760
246 HB2 ALA 74 HB2 ALA 74 -2.866 -10.942 -0.229
247 HB3 ALA 74 HB3 ALA 74 -4.620 -11.063 -0.325
248 H SER 75 H SER 75 -1.636 -8.503 -0.049
249 HA SER 75 HA SER 75 -2.722 -7.747 2.404
250 HB2 SER 75 HB2 SER 75 -0.386 -6.310 1.229
251 HB3 SER 75 HB3 SER 75 -0.609 -6.894 2.891
252 HG SER 75 HG SER 75 -0.185 -8.948 2.210
253 H CYS 76 H CYS 76 -3.090 -6.176 -0.645
254 HA CYS 76 HA CYS 76 -3.981 -3.632 0.692
255 HB2 CYS 76 HB2 CYS 76 -2.836 -4.090 -2.092
256 HB3 CYS 76 HB3 CYS 76 -3.795 -2.760 -1.580
257 H GLY 77 H GLY 77 -4.897 -6.491 -1.247
258 HA2 GLY 77 HA2 GLY 77 -7.119 -5.455 -2.536
259 HA3 GLY 77 HA3 GLY 77 -6.800 -7.138 -2.127
260 H SER 78 H SER 78 -6.685 -6.751 0.780
261 HA SER 78 HA SER 78 -9.124 -7.400 1.661
262 HB2 SER 78 HB2 SER 78 -7.064 -5.717 3.137
263 HB3 SER 78 HB3 SER 78 -8.311 -6.731 3.883
264 HG SER 78 HG SER 78 -7.283 -8.495 3.328
265 H ALA 79 H ALA 79 -11.002 -6.502 1.918
266 HA ALA 79 HA ALA 79 -11.512 -3.822 2.783
267 HB1 ALA 79 HB1 ALA 79 -11.104 -3.326 0.444
268 HB2 ALA 79 HB2 ALA 79 -12.242 -4.617 -0.054
269 HB3 ALA 79 HB3 ALA 79 -12.842 -3.186 0.784
270 H THR 80 H THR 80 -12.020 -6.082 4.133
271 HA THR 80 HA THR 80 -14.931 -6.447 3.877
272 HB THR 80 HB THR 80 -14.703 -8.900 4.215
273 HG1 THR 80 HG1 THR 80 -12.894 -9.900 3.968
274 HG21 THR 80 HG21 THR 80 -14.229 -9.465 1.906
275 HG22 THR 80 HG22 THR 80 -13.405 -7.919 1.643
276 HG23 THR 80 HG23 THR 80 -15.148 -7.947 1.967
277 H ALA 81 H ALA 81 -13.397 -4.820 5.709
278 HA ALA 81 HA ALA 81 -13.039 -6.185 8.219
279 HB1 ALA 81 HB1 ALA 81 -12.934 -3.887 9.142
280 HB2 ALA 81 HB2 ALA 81 -11.969 -3.999 7.663
281 HB3 ALA 81 HB3 ALA 81 -13.541 -3.229 7.621
282 HA PRO 82 HA PRO 82 -17.258 -6.558 9.515
283 HB2 PRO 82 HB2 PRO 82 -17.124 -6.060 12.230
284 HB3 PRO 82 HB3 PRO 82 -16.583 -7.590 11.451
285 HG2 PRO 82 HG2 PRO 82 -14.904 -5.210 12.290
286 HG3 PRO 82 HG3 PRO 82 -14.556 -6.957 12.518
287 HD2 PRO 82 HD2 PRO 82 -13.441 -5.539 10.516
288 HD3 PRO 82 HD3 PRO 82 -13.947 -7.224 10.272
289 H GLY 83 H GLY 83 -18.822 -5.111 9.041
290 HA2 GLY 83 HA2 GLY 83 -18.367 -2.232 9.260
291 HA3 GLY 83 HA3 GLY 83 -19.763 -3.063 8.556
Start of MODEL 7
1 H1 GLY 31 H GLY 31 19.847 -2.423 -5.971
2 HA2 GLY 31 HA2 GLY 31 18.065 -3.375 -7.329
3 HA3 GLY 31 HA3 GLY 31 17.617 -4.377 -5.961
4 H GLU 32 H GLU 32 15.507 -3.484 -6.195
5 HA GLU 32 HA GLU 32 14.896 -0.701 -5.770
6 HB2 GLU 32 HB2 GLU 32 12.673 -1.412 -6.177
7 HB3 GLU 32 HB3 GLU 32 13.692 -2.334 -7.253
8 HG2 GLU 32 HG2 GLU 32 12.187 -3.240 -4.791
9 HG3 GLU 32 HG3 GLU 32 12.029 -3.800 -6.441
10 H HIS 33 H HIS 33 13.104 -0.203 -4.042
11 HA HIS 33 HA HIS 33 14.209 -1.034 -1.417
12 HB2 HIS 33 HB2 HIS 33 13.309 1.414 -2.217
13 HB3 HIS 33 HB3 HIS 33 11.913 0.771 -1.358
14 HD2 HIS 33 HD2 HIS 33 15.715 0.296 -0.561
15 HE1 HIS 33 HE1 HIS 33 14.132 2.432 2.719
16 HE2 HIS 33 HE2 HIS 33 16.205 1.335 1.773
17 H THR 34 H THR 34 12.282 -1.505 0.450
18 HA THR 34 HA THR 34 10.802 -3.724 -0.702
19 HB THR 34 HB THR 34 10.062 -2.583 1.964
20 HG1 THR 34 HG1 THR 34 12.688 -3.504 1.333
21 HG21 THR 34 HG21 THR 34 10.049 -4.896 2.640
22 HG22 THR 34 HG22 THR 34 10.777 -5.393 1.093
23 HG23 THR 34 HG23 THR 34 9.137 -4.709 1.138
24 H THR 35 H THR 35 9.308 -3.122 -2.161
25 HA THR 35 HA THR 35 7.393 -0.952 -1.528
26 HB THR 35 HB THR 35 7.250 -0.577 -4.006
27 HG1 THR 35 HG1 THR 35 8.325 -2.497 -4.717
28 HG21 THR 35 HG21 THR 35 10.053 -0.028 -2.940
29 HG22 THR 35 HG22 THR 35 8.600 0.827 -2.378
30 HG23 THR 35 HG23 THR 35 9.098 0.945 -4.070
31 H CYS 36 H CYS 36 5.355 -1.291 -2.433
32 HA CYS 36 HA CYS 36 4.393 -3.985 -2.188
33 HB2 CYS 36 HB2 CYS 36 3.140 -1.664 -2.020
34 HB3 CYS 36 HB3 CYS 36 3.244 -1.652 -3.742
35 H GLY 37 H GLY 37 4.344 -5.556 -3.678
36 HA2 GLY 37 HA2 GLY 37 5.804 -5.687 -5.930
37 HA3 GLY 37 HA3 GLY 37 4.341 -6.639 -5.763
38 H CYS 38 H CYS 38 2.744 -3.966 -5.819
39 HA CYS 38 HA CYS 38 2.280 -3.924 -8.632
40 HB2 CYS 38 HB2 CYS 38 0.717 -2.230 -8.274
41 HB3 CYS 38 HB3 CYS 38 0.565 -3.342 -6.995
42 H GLY 39 H GLY 39 4.786 -2.553 -6.886
43 HA2 GLY 39 HA2 GLY 39 6.591 -1.475 -7.629
44 HA3 GLY 39 HA3 GLY 39 5.684 -0.718 -8.958
45 H GLU 40 H GLU 40 4.523 -0.406 -5.520
46 HA GLU 40 HA GLU 40 5.839 2.184 -5.406
47 HB2 GLU 40 HB2 GLU 40 4.069 3.255 -5.775
48 HB3 GLU 40 HB3 GLU 40 3.246 1.843 -6.287
49 HG2 GLU 40 HG2 GLU 40 3.123 2.721 -3.371
50 HG3 GLU 40 HG3 GLU 40 2.070 3.358 -4.596
51 H HIS 41 H HIS 41 6.002 3.195 -3.489
52 HA HIS 41 HA HIS 41 6.510 1.586 -1.229
53 HB2 HIS 41 HB2 HIS 41 6.641 4.471 -1.992
54 HB3 HIS 41 HB3 HIS 41 6.423 4.149 -0.284
55 HD1 HIS 41 HD1 HIS 41 9.144 3.704 -3.011
56 HD2 HIS 41 HD2 HIS 41 8.386 3.064 1.092
57 HE1 HIS 41 HE1 HIS 41 11.354 2.846 -1.958
58 H CYS 42 H CYS 42 4.999 0.713 0.102
59 HA CYS 42 HA CYS 42 2.448 2.176 0.657
60 HB2 CYS 42 HB2 CYS 42 2.169 0.471 -1.175
61 HB3 CYS 42 HB3 CYS 42 2.691 -0.768 -0.048
62 H GLY 43 H GLY 43 1.400 1.481 2.681
63 HA2 GLY 43 HA2 GLY 43 3.315 0.953 4.689
64 HA3 GLY 43 HA3 GLY 43 1.561 0.866 4.917
65 H CYS 44 H CYS 44 1.686 -1.223 2.710
66 HA CYS 44 HA CYS 44 1.881 -3.561 4.351
67 HB2 CYS 44 HB2 CYS 44 1.020 -4.737 2.481
68 HB3 CYS 44 HB3 CYS 44 0.214 -3.150 2.558
69 H ASN 45 H ASN 45 4.411 -1.850 3.038
70 HA ASN 45 HA ASN 45 6.050 -4.307 2.893
71 HB2 ASN 45 HB2 ASN 45 5.720 -2.150 0.858
72 HB3 ASN 45 HB3 ASN 45 7.317 -2.905 1.063
73 HD21 ASN 45 HD21 ASN 45 7.602 -5.157 0.449
74 HD22 ASN 45 HD22 ASN 45 6.468 -5.799 -0.646
75 HA PRO 46 HA PRO 46 7.712 -1.241 5.886
76 HB2 PRO 46 HB2 PRO 46 8.743 -3.035 7.706
77 HB3 PRO 46 HB3 PRO 46 7.037 -2.511 7.676
78 HG2 PRO 46 HG2 PRO 46 8.228 -5.023 6.512
79 HG3 PRO 46 HG3 PRO 46 6.720 -4.851 7.467
80 HD2 PRO 46 HD2 PRO 46 6.773 -5.016 4.735
81 HD3 PRO 46 HD3 PRO 46 5.539 -4.033 5.589
82 H CYS 47 H CYS 47 9.503 -0.293 5.142
83 HA CYS 47 HA CYS 47 11.929 -1.878 4.455
84 HB2 CYS 47 HB2 CYS 47 12.430 0.077 2.982
85 HB3 CYS 47 HB3 CYS 47 11.081 -0.900 2.410
86 H ALA 48 H ALA 48 13.888 -0.699 4.834
87 HA ALA 48 HA ALA 48 14.325 0.548 7.202
88 HB1 ALA 48 HB1 ALA 48 15.801 0.794 4.550
89 HB2 ALA 48 HB2 ALA 48 16.478 1.240 6.122
90 HB3 ALA 48 HB3 ALA 48 16.043 -0.444 5.808
91 H CYS 49 H CYS 49 12.980 2.130 4.475
92 HA CYS 49 HA CYS 49 13.530 4.827 5.650
93 HB2 CYS 49 HB2 CYS 49 13.176 5.865 3.723
94 HB3 CYS 49 HB3 CYS 49 13.959 4.438 3.149
95 H GLY 50 H GLY 50 10.986 2.485 5.470
96 HA2 GLY 50 HA2 GLY 50 8.760 2.506 5.875
97 HA3 GLY 50 HA3 GLY 50 9.262 3.525 7.218
98 H ARG 51 H ARG 51 8.890 4.042 3.713
99 HA ARG 51 HA ARG 51 7.377 6.555 4.242
100 HB2 ARG 51 HB2 ARG 51 9.564 6.786 3.082
101 HB3 ARG 51 HB3 ARG 51 8.954 5.803 1.741
102 HG2 ARG 51 HG2 ARG 51 7.439 8.256 2.678
103 HG3 ARG 51 HG3 ARG 51 8.865 8.454 1.688
104 HD2 ARG 51 HD2 ARG 51 7.090 6.500 0.455
105 HD3 ARG 51 HD3 ARG 51 6.229 8.000 0.799
106 HE ARG 51 HE ARG 51 8.655 7.667 -0.904
107 HH11 ARG 51 HH11 ARG 51 6.081 9.966 0.187
108 HH12 ARG 51 HH12 ARG 51 6.364 10.980 -1.190
109 HH21 ARG 51 HH21 ARG 51 9.061 9.169 -2.490
110 HH22 ARG 51 HH22 ARG 51 8.093 10.614 -2.623
111 H GLU 52 H GLU 52 5.388 6.796 3.301
112 HA GLU 52 HA GLU 52 4.389 5.024 1.193
113 HB2 GLU 52 HB2 GLU 52 2.486 4.345 2.882
114 HB3 GLU 52 HB3 GLU 52 3.999 3.448 2.865
115 HG2 GLU 52 HG2 GLU 52 4.842 4.678 4.828
116 HG3 GLU 52 HG3 GLU 52 3.389 5.681 4.858
117 H GLY 53 H GLY 53 3.640 6.713 0.004
118 HA2 GLY 53 HA2 GLY 53 3.009 9.279 0.758
119 HA3 GLY 53 HA3 GLY 53 2.466 8.500 -0.711
120 H THR 54 H THR 54 0.780 10.283 -0.131
121 HA THR 54 HA THR 54 -1.048 10.092 1.885
122 HB THR 54 HB THR 54 -2.035 10.712 -0.886
123 HG1 THR 54 HG1 THR 54 -0.071 12.249 0.465
124 HG21 THR 54 HG21 THR 54 -3.525 10.985 0.988
125 HG22 THR 54 HG22 THR 54 -3.124 12.570 0.300
126 HG23 THR 54 HG23 THR 54 -2.359 12.056 1.816
127 HA PRO 55 HA PRO 55 -2.998 6.185 0.982
128 HB2 PRO 55 HB2 PRO 55 -4.638 6.000 3.090
129 HB3 PRO 55 HB3 PRO 55 -2.885 6.002 3.277
130 HG2 PRO 55 HG2 PRO 55 -4.725 8.423 3.498
131 HG3 PRO 55 HG3 PRO 55 -3.586 7.812 4.743
132 HD2 PRO 55 HD2 PRO 55 -2.817 9.714 3.025
133 HD3 PRO 55 HD3 PRO 55 -1.706 8.373 3.442
134 H SER 56 H SER 56 -4.950 5.520 -0.116
135 HA SER 56 HA SER 56 -6.465 7.687 -1.286
136 HB2 SER 56 HB2 SER 56 -7.527 5.687 -2.555
137 HB3 SER 56 HB3 SER 56 -5.889 6.234 -2.914
138 HG SER 56 HG SER 56 -5.389 4.249 -2.687
139 H GLY 57 H GLY 57 -7.329 8.383 0.724
140 HA2 GLY 57 HA2 GLY 57 -9.025 7.110 2.466
141 HA3 GLY 57 HA3 GLY 57 -9.127 8.807 2.086
142 H ARG 58 H ARG 58 -9.851 8.076 -0.799
143 HA ARG 58 HA ARG 58 -12.728 8.054 -0.329
144 HB2 ARG 58 HB2 ARG 58 -12.951 8.298 -2.784
145 HB3 ARG 58 HB3 ARG 58 -11.906 9.506 -2.042
146 HG2 ARG 58 HG2 ARG 58 -9.908 8.301 -2.804
147 HG3 ARG 58 HG3 ARG 58 -10.895 7.007 -3.471
148 HD2 ARG 58 HD2 ARG 58 -10.034 8.631 -5.191
149 HD3 ARG 58 HD3 ARG 58 -11.781 8.395 -5.177
150 HE ARG 58 HE ARG 58 -12.049 10.582 -4.927
151 HH11 ARG 58 HH11 ARG 58 -8.879 9.977 -3.352
152 HH12 ARG 58 HH12 ARG 58 -8.602 11.656 -3.100
153 HH21 ARG 58 HH21 ARG 58 -11.533 12.815 -4.642
154 HH22 ARG 58 HH22 ARG 58 -10.357 13.197 -3.442
155 H ALA 59 H ALA 59 -10.785 5.553 -0.078
156 HA ALA 59 HA ALA 59 -12.845 3.616 -0.931
157 HB1 ALA 59 HB1 ALA 59 -9.850 3.445 -1.482
158 HB2 ALA 59 HB2 ALA 59 -11.015 2.116 -1.737
159 HB3 ALA 59 HB3 ALA 59 -11.126 3.601 -2.703
160 H ASN 60 H ASN 60 -12.738 1.723 0.312
161 HA ASN 60 HA ASN 60 -12.243 2.019 3.064
162 HB2 ASN 60 HB2 ASN 60 -13.058 -0.372 3.158
163 HB3 ASN 60 HB3 ASN 60 -14.075 0.714 2.240
164 HD21 ASN 60 HD21 ASN 60 -14.444 0.429 0.077
165 HD22 ASN 60 HD22 ASN 60 -13.793 -0.846 -0.886
166 H ARG 61 H ARG 61 -9.674 2.364 2.015
167 HA ARG 61 HA ARG 61 -8.208 -0.131 2.305
168 HB2 ARG 61 HB2 ARG 61 -6.682 2.435 2.484
169 HB3 ARG 61 HB3 ARG 61 -6.300 0.886 1.706
170 HG2 ARG 61 HG2 ARG 61 -8.135 3.072 0.622
171 HG3 ARG 61 HG3 ARG 61 -6.496 2.684 0.094
172 HD2 ARG 61 HD2 ARG 61 -7.450 0.294 -0.396
173 HD3 ARG 61 HD3 ARG 61 -9.030 1.084 -0.282
174 HE ARG 61 HE ARG 61 -7.376 2.588 -2.040
175 HH11 ARG 61 HH11 ARG 61 -9.354 -0.371 -1.835
176 HH12 ARG 61 HH12 ARG 61 -9.680 -0.434 -3.524
177 HH21 ARG 61 HH21 ARG 61 -7.768 2.406 -4.404
178 HH22 ARG 61 HH22 ARG 61 -8.666 1.048 -4.982
179 H ARG 62 H ARG 62 -6.000 0.498 3.819
180 HA ARG 62 HA ARG 62 -7.039 0.281 6.587
181 HB2 ARG 62 HB2 ARG 62 -5.063 -1.010 4.952
182 HB3 ARG 62 HB3 ARG 62 -4.162 -0.183 6.127
183 HG2 ARG 62 HG2 ARG 62 -4.564 -2.378 7.022
184 HG3 ARG 62 HG3 ARG 62 -5.424 -1.186 8.006
185 HD2 ARG 62 HD2 ARG 62 -7.536 -1.742 6.804
186 HD3 ARG 62 HD3 ARG 62 -6.671 -2.976 5.872
187 HE ARG 62 HE ARG 62 -6.250 -3.468 8.630
188 HH11 ARG 62 HH11 ARG 62 -9.207 -3.060 6.708
189 HH12 ARG 62 HH12 ARG 62 -10.031 -4.350 7.478
190 HH21 ARG 62 HH21 ARG 62 -7.389 -5.162 9.708
191 HH22 ARG 62 HH22 ARG 62 -8.993 -5.552 9.245
192 H ALA 63 H ALA 63 -6.642 2.863 5.119
193 HA ALA 63 HA ALA 63 -5.991 4.995 5.502
194 HB1 ALA 63 HB1 ALA 63 -5.102 4.153 8.273
195 HB2 ALA 63 HB2 ALA 63 -5.628 5.742 7.742
196 HB3 ALA 63 HB3 ALA 63 -6.807 4.423 7.833
197 H ASN 64 H ASN 64 -3.778 2.583 5.299
198 HA ASN 64 HA ASN 64 -1.524 4.469 5.007
199 HB2 ASN 64 HB2 ASN 64 -0.059 2.534 5.786
200 HB3 ASN 64 HB3 ASN 64 -1.137 3.265 6.983
201 HD21 ASN 64 HD21 ASN 64 -1.653 1.664 8.302
202 HD22 ASN 64 HD22 ASN 64 -2.856 0.572 7.737
203 H CYS 65 H CYS 65 -3.481 3.175 3.077
204 HA CYS 65 HA CYS 65 -1.416 2.009 1.241
205 HB2 CYS 65 HB2 CYS 65 -3.101 0.410 1.984
206 HB3 CYS 65 HB3 CYS 65 -4.349 1.497 1.357
207 H SER 66 H SER 66 -0.800 3.975 0.388
208 HA SER 66 HA SER 66 -2.461 5.838 -0.960
209 HB2 SER 66 HB2 SER 66 -0.305 6.560 -1.984
210 HB3 SER 66 HB3 SER 66 -0.187 6.327 -0.239
211 HG SER 66 HG SER 66 1.505 5.436 -1.616
212 H CYS 67 H CYS 67 -1.518 2.815 -1.902
213 HA CYS 67 HA CYS 67 -1.139 2.749 -4.676
214 HB2 CYS 67 HB2 CYS 67 -2.959 1.044 -2.989
215 HB3 CYS 67 HB3 CYS 67 -2.615 0.622 -4.628
216 H GLY 68 H GLY 68 -2.412 2.274 -6.536
217 HA2 GLY 68 HA2 GLY 68 -5.105 3.399 -6.604
218 HA3 GLY 68 HA3 GLY 68 -3.924 3.255 -7.933
219 H ALA 69 H ALA 69 -5.702 2.206 -9.011
220 HA ALA 69 HA ALA 69 -6.877 -0.260 -8.230
221 HB1 ALA 69 HB1 ALA 69 -7.965 1.347 -9.672
222 HB2 ALA 69 HB2 ALA 69 -6.662 1.230 -10.878
223 HB3 ALA 69 HB3 ALA 69 -7.714 -0.156 -10.591
224 H ALA 70 H ALA 70 -4.084 0.427 -10.387
225 HA ALA 70 HA ALA 70 -3.864 -2.205 -11.487
226 HB1 ALA 70 HB1 ALA 70 -1.683 -1.408 -12.314
227 HB2 ALA 70 HB2 ALA 70 -2.944 -0.239 -12.631
228 HB3 ALA 70 HB3 ALA 70 -1.814 0.038 -11.292
229 H CYS 71 H CYS 71 -4.090 -2.586 -8.715
230 HA CYS 71 HA CYS 71 -1.464 -3.859 -8.136
231 HB2 CYS 71 HB2 CYS 71 -1.360 -1.855 -7.049
232 HB3 CYS 71 HB3 CYS 71 -3.029 -1.892 -6.456
233 H ASN 72 H ASN 72 -1.877 -5.981 -8.044
234 HA ASN 72 HA ASN 72 -4.434 -6.794 -6.807
235 HB2 ASN 72 HB2 ASN 72 -3.790 -7.655 -9.067
236 HB3 ASN 72 HB3 ASN 72 -2.533 -8.628 -8.268
237 HD21 ASN 72 HD21 ASN 72 -3.490 -10.741 -8.474
238 HD22 ASN 72 HD22 ASN 72 -4.989 -11.148 -7.696
239 H CYS 73 H CYS 73 -1.464 -6.153 -5.513
240 HA CYS 73 HA CYS 73 -0.712 -8.343 -3.888
241 HB2 CYS 73 HB2 CYS 73 0.480 -6.369 -3.566
242 HB3 CYS 73 HB3 CYS 73 -0.980 -5.409 -3.356
243 H ALA 74 H ALA 74 -2.028 -9.740 -2.670
244 HA ALA 74 HA ALA 74 -4.615 -9.305 -1.858
245 HB1 ALA 74 HB1 ALA 74 -3.474 -11.490 -1.834
246 HB2 ALA 74 HB2 ALA 74 -2.506 -10.978 -0.448
247 HB3 ALA 74 HB3 ALA 74 -4.265 -11.153 -0.287
248 H SER 75 H SER 75 -1.641 -8.547 0.017
249 HA SER 75 HA SER 75 -2.954 -7.728 2.373
250 HB2 SER 75 HB2 SER 75 -0.435 -6.449 1.297
251 HB3 SER 75 HB3 SER 75 -0.958 -6.509 2.983
252 HG SER 75 HG SER 75 -0.235 -8.800 1.400
253 H CYS 76 H CYS 76 -3.096 -6.204 -0.659
254 HA CYS 76 HA CYS 76 -3.999 -3.568 0.535
255 HB2 CYS 76 HB2 CYS 76 -3.077 -4.293 -2.264
256 HB3 CYS 76 HB3 CYS 76 -3.855 -2.817 -1.739
257 H GLY 77 H GLY 77 -5.021 -6.406 -1.392
258 HA2 GLY 77 HA2 GLY 77 -7.434 -5.076 -2.345
259 HA3 GLY 77 HA3 GLY 77 -7.003 -6.791 -2.495
260 H SER 78 H SER 78 -6.676 -7.760 -0.075
261 HA SER 78 HA SER 78 -9.268 -7.992 1.029
262 HB2 SER 78 HB2 SER 78 -6.564 -8.855 2.132
263 HB3 SER 78 HB3 SER 78 -8.160 -9.518 2.582
264 HG SER 78 HG SER 78 -7.057 -10.769 0.926
265 H ALA 79 H ALA 79 -10.165 -6.229 1.913
266 HA ALA 79 HA ALA 79 -8.778 -4.869 4.165
267 HB1 ALA 79 HB1 ALA 79 -8.620 -3.588 1.943
268 HB2 ALA 79 HB2 ALA 79 -10.380 -3.403 2.037
269 HB3 ALA 79 HB3 ALA 79 -9.367 -2.719 3.302
270 H THR 80 H THR 80 -11.782 -6.120 2.759
271 HA THR 80 HA THR 80 -13.152 -5.780 5.296
272 HB THR 80 HB THR 80 -15.169 -4.915 4.133
273 HG1 THR 80 HG1 THR 80 -13.417 -4.551 1.927
274 HG21 THR 80 HG21 THR 80 -13.687 -3.204 5.166
275 HG22 THR 80 HG22 THR 80 -14.606 -2.596 3.788
276 HG23 THR 80 HG23 THR 80 -12.880 -2.974 3.606
277 H ALA 81 H ALA 81 -14.931 -7.436 5.337
278 HA ALA 81 HA ALA 81 -14.911 -9.369 3.124
279 HB1 ALA 81 HB1 ALA 81 -13.197 -10.212 4.691
280 HB2 ALA 81 HB2 ALA 81 -14.346 -10.054 6.045
281 HB3 ALA 81 HB3 ALA 81 -14.657 -11.223 4.761
282 HA PRO 82 HA PRO 82 -19.241 -9.319 4.281
283 HB2 PRO 82 HB2 PRO 82 -20.182 -11.464 2.937
284 HB3 PRO 82 HB3 PRO 82 -19.429 -10.098 2.063
285 HG2 PRO 82 HG2 PRO 82 -18.036 -12.661 2.972
286 HG3 PRO 82 HG3 PRO 82 -18.124 -11.993 1.300
287 HD2 PRO 82 HD2 PRO 82 -16.024 -11.485 2.922
288 HD3 PRO 82 HD3 PRO 82 -16.688 -10.202 1.876
289 H GLY 83 H GLY 83 -17.682 -10.095 6.459
290 HA2 GLY 83 HA2 GLY 83 -19.415 -11.714 7.968
291 HA3 GLY 83 HA3 GLY 83 -17.965 -12.650 7.510
Start of MODEL 8
1 H1 GLY 31 H GLY 31 20.110 2.114 -6.705
2 HA2 GLY 31 HA2 GLY 31 19.847 1.267 -4.411
3 HA3 GLY 31 HA3 GLY 31 19.278 2.887 -3.972
4 H GLU 32 H GLU 32 17.757 0.542 -3.512
5 HA GLU 32 HA GLU 32 15.318 1.087 -4.998
6 HB2 GLU 32 HB2 GLU 32 14.926 -1.266 -5.516
7 HB3 GLU 32 HB3 GLU 32 16.365 -0.678 -6.347
8 HG2 GLU 32 HG2 GLU 32 17.711 -1.734 -4.400
9 HG3 GLU 32 HG3 GLU 32 16.202 -2.538 -3.948
10 H HIS 33 H HIS 33 13.467 -0.023 -3.761
11 HA HIS 33 HA HIS 33 14.186 -0.633 -0.937
12 HB2 HIS 33 HB2 HIS 33 12.904 1.780 -1.897
13 HB3 HIS 33 HB3 HIS 33 11.755 0.870 -0.923
14 HD2 HIS 33 HD2 HIS 33 15.528 0.900 -0.137
15 HE1 HIS 33 HE1 HIS 33 13.806 3.424 2.747
16 HE2 HIS 33 HE2 HIS 33 15.971 2.396 1.909
17 H THR 34 H THR 34 12.308 -1.431 0.350
18 HA THR 34 HA THR 34 11.032 -3.633 -1.081
19 HB THR 34 HB THR 34 10.524 -2.663 1.756
20 HG1 THR 34 HG1 THR 34 12.813 -3.903 0.671
21 HG21 THR 34 HG21 THR 34 10.605 -5.389 0.413
22 HG22 THR 34 HG22 THR 34 9.235 -4.550 1.154
23 HG23 THR 34 HG23 THR 34 10.550 -5.147 2.171
24 H THR 35 H THR 35 9.236 -3.368 -2.290
25 HA THR 35 HA THR 35 7.381 -1.137 -1.648
26 HB THR 35 HB THR 35 7.083 -1.022 -4.205
27 HG1 THR 35 HG1 THR 35 8.195 -2.937 -4.771
28 HG21 THR 35 HG21 THR 35 8.334 0.693 -2.870
29 HG22 THR 35 HG22 THR 35 8.929 0.517 -4.529
30 HG23 THR 35 HG23 THR 35 9.838 -0.193 -3.188
31 H CYS 36 H CYS 36 5.311 -1.389 -2.569
32 HA CYS 36 HA CYS 36 4.138 -3.911 -2.129
33 HB2 CYS 36 HB2 CYS 36 3.098 -1.512 -2.327
34 HB3 CYS 36 HB3 CYS 36 3.138 -1.732 -4.037
35 H GLY 37 H GLY 37 3.866 -5.681 -3.590
36 HA2 GLY 37 HA2 GLY 37 5.480 -6.150 -5.714
37 HA3 GLY 37 HA3 GLY 37 3.886 -6.898 -5.561
38 H CYS 38 H CYS 38 2.622 -4.175 -5.845
39 HA CYS 38 HA CYS 38 2.299 -4.200 -8.680
40 HB2 CYS 38 HB2 CYS 38 0.668 -2.725 -8.443
41 HB3 CYS 38 HB3 CYS 38 0.505 -3.740 -7.079
42 H GLY 39 H GLY 39 4.774 -3.133 -7.134
43 HA2 GLY 39 HA2 GLY 39 6.658 -1.922 -7.628
44 HA3 GLY 39 HA3 GLY 39 5.900 -1.428 -9.162
45 H GLU 40 H GLU 40 5.244 -0.892 -5.577
46 HA GLU 40 HA GLU 40 5.388 2.005 -5.950
47 HB2 GLU 40 HB2 GLU 40 3.189 1.581 -6.674
48 HB3 GLU 40 HB3 GLU 40 3.047 0.127 -5.719
49 HG2 GLU 40 HG2 GLU 40 3.046 2.166 -3.759
50 HG3 GLU 40 HG3 GLU 40 2.212 2.719 -5.169
51 H HIS 41 H HIS 41 5.956 2.957 -4.001
52 HA HIS 41 HA HIS 41 6.491 1.504 -1.612
53 HB2 HIS 41 HB2 HIS 41 6.483 4.342 -2.588
54 HB3 HIS 41 HB3 HIS 41 6.146 4.156 -0.869
55 HD1 HIS 41 HD1 HIS 41 9.058 3.363 -3.377
56 HD2 HIS 41 HD2 HIS 41 8.003 3.411 0.739
57 HE1 HIS 41 HE1 HIS 41 11.184 2.979 -2.069
58 H CYS 42 H CYS 42 4.940 0.720 -0.122
59 HA CYS 42 HA CYS 42 2.498 2.300 0.309
60 HB2 CYS 42 HB2 CYS 42 2.168 0.767 -1.570
61 HB3 CYS 42 HB3 CYS 42 2.329 -0.616 -0.456
62 H GLY 43 H GLY 43 1.438 1.775 2.316
63 HA2 GLY 43 HA2 GLY 43 3.155 1.209 4.392
64 HA3 GLY 43 HA3 GLY 43 1.415 1.176 4.506
65 H CYS 44 H CYS 44 1.843 -1.053 2.401
66 HA CYS 44 HA CYS 44 1.674 -3.329 4.283
67 HB2 CYS 44 HB2 CYS 44 0.743 -4.491 2.496
68 HB3 CYS 44 HB3 CYS 44 0.150 -2.827 2.347
69 H ASN 45 H ASN 45 4.301 -1.745 2.903
70 HA ASN 45 HA ASN 45 5.911 -4.223 2.893
71 HB2 ASN 45 HB2 ASN 45 5.494 -2.255 0.682
72 HB3 ASN 45 HB3 ASN 45 7.142 -2.810 0.987
73 HD21 ASN 45 HD21 ASN 45 7.740 -4.919 0.631
74 HD22 ASN 45 HD22 ASN 45 6.854 -5.938 -0.442
75 HA PRO 46 HA PRO 46 7.329 -0.802 5.680
76 HB2 PRO 46 HB2 PRO 46 8.308 -2.435 7.666
77 HB3 PRO 46 HB3 PRO 46 6.617 -1.863 7.586
78 HG2 PRO 46 HG2 PRO 46 7.731 -4.523 6.682
79 HG3 PRO 46 HG3 PRO 46 6.233 -4.210 7.607
80 HD2 PRO 46 HD2 PRO 46 6.192 -4.648 4.925
81 HD3 PRO 46 HD3 PRO 46 5.090 -3.459 5.666
82 H CYS 47 H CYS 47 8.990 -0.096 4.623
83 HA CYS 47 HA CYS 47 11.353 -1.720 3.853
84 HB2 CYS 47 HB2 CYS 47 11.747 0.379 2.467
85 HB3 CYS 47 HB3 CYS 47 10.363 -0.591 1.947
86 H ALA 48 H ALA 48 13.368 -0.251 3.967
87 HA ALA 48 HA ALA 48 13.944 0.600 6.530
88 HB1 ALA 48 HB1 ALA 48 15.529 0.064 4.657
89 HB2 ALA 48 HB2 ALA 48 15.265 1.725 4.067
90 HB3 ALA 48 HB3 ALA 48 15.965 1.460 5.670
91 H CYS 49 H CYS 49 12.042 2.378 4.420
92 HA CYS 49 HA CYS 49 12.361 4.865 6.044
93 HB2 CYS 49 HB2 CYS 49 11.981 6.231 4.272
94 HB3 CYS 49 HB3 CYS 49 13.063 5.005 3.639
95 H GLY 50 H GLY 50 10.262 2.335 5.308
96 HA2 GLY 50 HA2 GLY 50 8.056 1.891 5.667
97 HA3 GLY 50 HA3 GLY 50 8.213 3.083 6.952
98 H ARG 51 H ARG 51 8.580 4.365 3.782
99 HA ARG 51 HA ARG 51 6.285 6.060 4.067
100 HB2 ARG 51 HB2 ARG 51 8.334 6.746 2.831
101 HB3 ARG 51 HB3 ARG 51 8.059 5.483 1.641
102 HG2 ARG 51 HG2 ARG 51 5.944 6.511 0.942
103 HG3 ARG 51 HG3 ARG 51 6.161 7.834 2.091
104 HD2 ARG 51 HD2 ARG 51 8.371 7.306 0.112
105 HD3 ARG 51 HD3 ARG 51 6.807 7.842 -0.534
106 HE ARG 51 HE ARG 51 7.719 9.467 1.671
107 HH11 ARG 51 HH11 ARG 51 8.307 8.975 -1.817
108 HH12 ARG 51 HH12 ARG 51 8.475 10.675 -2.138
109 HH21 ARG 51 HH21 ARG 51 7.666 11.746 1.114
110 HH22 ARG 51 HH22 ARG 51 8.294 12.239 -0.411
111 H GLU 52 H GLU 52 4.290 5.778 3.743
112 HA GLU 52 HA GLU 52 3.385 3.517 2.156
113 HB2 GLU 52 HB2 GLU 52 1.055 4.645 2.882
114 HB3 GLU 52 HB3 GLU 52 1.944 3.436 3.797
115 HG2 GLU 52 HG2 GLU 52 2.137 6.383 4.340
116 HG3 GLU 52 HG3 GLU 52 0.974 5.309 5.117
117 H GLY 53 H GLY 53 3.961 6.732 1.554
118 HA2 GLY 53 HA2 GLY 53 3.967 7.826 -0.495
119 HA3 GLY 53 HA3 GLY 53 3.001 6.526 -1.197
120 H THR 54 H THR 54 2.024 8.381 1.678
121 HA THR 54 HA THR 54 0.331 9.705 2.166
122 HB THR 54 HB THR 54 1.171 10.696 -0.464
123 HG1 THR 54 HG1 THR 54 2.096 11.240 1.682
124 HG21 THR 54 HG21 THR 54 -1.152 11.188 -0.805
125 HG22 THR 54 HG22 THR 54 -0.508 12.663 -0.092
126 HG23 THR 54 HG23 THR 54 -1.428 11.519 0.915
127 HA PRO 55 HA PRO 55 -2.749 6.728 0.711
128 HB2 PRO 55 HB2 PRO 55 -4.241 6.658 3.005
129 HB3 PRO 55 HB3 PRO 55 -2.698 5.774 2.772
130 HG2 PRO 55 HG2 PRO 55 -3.116 8.432 4.167
131 HG3 PRO 55 HG3 PRO 55 -2.187 7.015 4.756
132 HD2 PRO 55 HD2 PRO 55 -0.973 9.071 3.546
133 HD3 PRO 55 HD3 PRO 55 -0.426 7.395 3.271
134 H SER 56 H SER 56 -4.466 7.297 -0.477
135 HA SER 56 HA SER 56 -5.450 9.943 -0.680
136 HB2 SER 56 HB2 SER 56 -5.380 8.388 -2.535
137 HB3 SER 56 HB3 SER 56 -6.423 7.247 -1.683
138 HG SER 56 HG SER 56 -7.083 9.757 -2.809
139 H GLY 57 H GLY 57 -6.401 7.403 1.490
140 HA2 GLY 57 HA2 GLY 57 -7.850 7.276 3.209
141 HA3 GLY 57 HA3 GLY 57 -8.123 8.993 3.033
142 H ARG 58 H ARG 58 -9.368 8.499 0.197
143 HA ARG 58 HA ARG 58 -12.051 8.136 1.156
144 HB2 ARG 58 HB2 ARG 58 -12.725 8.834 -1.062
145 HB3 ARG 58 HB3 ARG 58 -11.508 9.908 -0.381
146 HG2 ARG 58 HG2 ARG 58 -9.767 8.821 -1.799
147 HG3 ARG 58 HG3 ARG 58 -10.998 7.779 -2.498
148 HD2 ARG 58 HD2 ARG 58 -10.803 9.360 -4.121
149 HD3 ARG 58 HD3 ARG 58 -12.199 9.956 -3.230
150 HE ARG 58 HE ARG 58 -9.501 11.093 -3.467
151 HH11 ARG 58 HH11 ARG 58 -12.679 11.420 -1.826
152 HH12 ARG 58 HH12 ARG 58 -12.404 13.067 -1.452
153 HH21 ARG 58 HH21 ARG 58 -9.157 13.289 -2.755
154 HH22 ARG 58 HH22 ARG 58 -10.323 14.001 -1.693
155 H ALA 59 H ALA 59 -10.969 5.791 1.750
156 HA ALA 59 HA ALA 59 -12.582 4.072 0.136
157 HB1 ALA 59 HB1 ALA 59 -9.595 3.478 0.212
158 HB2 ALA 59 HB2 ALA 59 -10.861 2.439 -0.489
159 HB3 ALA 59 HB3 ALA 59 -10.498 4.005 -1.221
160 H ASN 60 H ASN 60 -12.746 1.899 1.076
161 HA ASN 60 HA ASN 60 -12.726 1.802 3.933
162 HB2 ASN 60 HB2 ASN 60 -13.561 -0.564 3.509
163 HB3 ASN 60 HB3 ASN 60 -14.493 0.730 2.783
164 HD21 ASN 60 HD21 ASN 60 -15.214 0.164 0.784
165 HD22 ASN 60 HD22 ASN 60 -14.312 -0.777 -0.374
166 H ARG 61 H ARG 61 -10.092 1.702 2.256
167 HA ARG 61 HA ARG 61 -8.710 -0.735 2.915
168 HB2 ARG 61 HB2 ARG 61 -7.499 1.922 2.216
169 HB3 ARG 61 HB3 ARG 61 -6.714 0.324 2.099
170 HG2 ARG 61 HG2 ARG 61 -8.094 -0.375 0.313
171 HG3 ARG 61 HG3 ARG 61 -9.228 0.970 0.517
172 HD2 ARG 61 HD2 ARG 61 -7.242 2.512 0.105
173 HD3 ARG 61 HD3 ARG 61 -6.438 1.052 -0.539
174 HE ARG 61 HE ARG 61 -8.997 1.179 -1.685
175 HH11 ARG 61 HH11 ARG 61 -6.191 3.429 -1.839
176 HH12 ARG 61 HH12 ARG 61 -6.656 4.018 -3.392
177 HH21 ARG 61 HH21 ARG 61 -9.608 2.073 -3.630
178 HH22 ARG 61 HH22 ARG 61 -8.552 3.171 -4.458
179 H ARG 62 H ARG 62 -6.440 -0.271 4.171
180 HA ARG 62 HA ARG 62 -7.129 0.259 6.925
181 HB2 ARG 62 HB2 ARG 62 -5.058 -1.033 5.331
182 HB3 ARG 62 HB3 ARG 62 -4.263 -0.033 6.493
183 HG2 ARG 62 HG2 ARG 62 -4.568 -2.152 7.557
184 HG3 ARG 62 HG3 ARG 62 -5.697 -1.041 8.330
185 HD2 ARG 62 HD2 ARG 62 -7.206 -2.142 6.237
186 HD3 ARG 62 HD3 ARG 62 -6.188 -3.494 6.736
187 HE ARG 62 HE ARG 62 -7.614 -2.034 8.886
188 HH11 ARG 62 HH11 ARG 62 -7.488 -5.123 7.068
189 HH12 ARG 62 HH12 ARG 62 -9.128 -5.516 7.479
190 HH21 ARG 62 HH21 ARG 62 -9.645 -2.761 9.599
191 HH22 ARG 62 HH22 ARG 62 -10.120 -4.387 9.334
192 H ALA 63 H ALA 63 -7.140 2.580 5.033
193 HA ALA 63 HA ALA 63 -6.576 4.772 4.872
194 HB1 ALA 63 HB1 ALA 63 -7.660 4.731 7.083
195 HB2 ALA 63 HB2 ALA 63 -6.069 4.540 7.856
196 HB3 ALA 63 HB3 ALA 63 -6.452 6.013 6.947
197 H ASN 64 H ASN 64 -4.239 2.674 5.008
198 HA ASN 64 HA ASN 64 -2.001 4.674 4.920
199 HB2 ASN 64 HB2 ASN 64 -2.055 1.852 6.040
200 HB3 ASN 64 HB3 ASN 64 -0.561 2.711 5.629
201 HD21 ASN 64 HD21 ASN 64 -3.407 2.817 7.854
202 HD22 ASN 64 HD22 ASN 64 -2.613 3.939 8.930
203 H CYS 65 H CYS 65 -3.929 2.924 2.917
204 HA CYS 65 HA CYS 65 -1.672 1.991 1.208
205 HB2 CYS 65 HB2 CYS 65 -3.392 0.373 1.824
206 HB3 CYS 65 HB3 CYS 65 -4.608 1.444 1.178
207 H SER 66 H SER 66 -0.959 3.602 -0.070
208 HA SER 66 HA SER 66 -2.726 5.600 -1.208
209 HB2 SER 66 HB2 SER 66 -0.641 6.318 -0.330
210 HB3 SER 66 HB3 SER 66 0.281 5.130 -1.207
211 HG SER 66 HG SER 66 0.063 7.440 -1.991
212 H CYS 67 H CYS 67 -1.918 2.609 -2.081
213 HA CYS 67 HA CYS 67 -1.424 2.508 -4.896
214 HB2 CYS 67 HB2 CYS 67 -3.451 0.861 -3.438
215 HB3 CYS 67 HB3 CYS 67 -3.000 0.525 -5.078
216 H GLY 68 H GLY 68 -2.755 2.345 -6.889
217 HA2 GLY 68 HA2 GLY 68 -5.572 2.719 -6.848
218 HA3 GLY 68 HA3 GLY 68 -4.661 4.187 -7.279
219 H ALA 69 H ALA 69 -3.043 1.161 -8.048
220 HA ALA 69 HA ALA 69 -4.124 1.098 -10.776
221 HB1 ALA 69 HB1 ALA 69 -1.896 1.227 -11.793
222 HB2 ALA 69 HB2 ALA 69 -2.256 2.724 -10.910
223 HB3 ALA 69 HB3 ALA 69 -1.148 1.521 -10.211
224 H ALA 70 H ALA 70 -4.425 -0.708 -11.268
225 HA ALA 70 HA ALA 70 -4.951 -3.023 -10.757
226 HB1 ALA 70 HB1 ALA 70 -2.470 -2.938 -12.495
227 HB2 ALA 70 HB2 ALA 70 -3.721 -4.197 -12.477
228 HB3 ALA 70 HB3 ALA 70 -4.128 -2.566 -13.034
229 H CYS 71 H CYS 71 -4.261 -2.810 -8.377
230 HA CYS 71 HA CYS 71 -1.752 -4.177 -7.761
231 HB2 CYS 71 HB2 CYS 71 -2.641 -2.109 -6.619
232 HB3 CYS 71 HB3 CYS 71 -3.898 -3.137 -5.914
233 H ASN 72 H ASN 72 -1.907 -6.396 -8.094
234 HA ASN 72 HA ASN 72 -4.301 -7.772 -7.081
235 HB2 ASN 72 HB2 ASN 72 -3.002 -8.557 -9.110
236 HB3 ASN 72 HB3 ASN 72 -1.684 -9.013 -8.026
237 HD21 ASN 72 HD21 ASN 72 -4.902 -9.921 -9.215
238 HD22 ASN 72 HD22 ASN 72 -4.995 -11.398 -8.312
239 H CYS 73 H CYS 73 -1.347 -6.785 -5.746
240 HA CYS 73 HA CYS 73 -0.587 -8.546 -3.760
241 HB2 CYS 73 HB2 CYS 73 0.395 -6.372 -3.788
242 HB3 CYS 73 HB3 CYS 73 -1.186 -5.653 -3.549
243 H ALA 74 H ALA 74 -1.744 -9.890 -2.431
244 HA ALA 74 HA ALA 74 -4.323 -9.750 -1.518
245 HB1 ALA 74 HB1 ALA 74 -2.828 -11.690 -1.122
246 HB2 ALA 74 HB2 ALA 74 -1.894 -10.757 0.042
247 HB3 ALA 74 HB3 ALA 74 -3.590 -11.161 0.373
248 H SER 75 H SER 75 -1.424 -8.481 0.149
249 HA SER 75 HA SER 75 -2.611 -7.442 2.425
250 HB2 SER 75 HB2 SER 75 -0.497 -5.790 1.350
251 HB3 SER 75 HB3 SER 75 -0.481 -6.731 2.866
252 HG SER 75 HG SER 75 0.840 -8.044 1.768
253 H CYS 76 H CYS 76 -3.034 -6.340 -0.699
254 HA CYS 76 HA CYS 76 -4.041 -3.620 0.163
255 HB2 CYS 76 HB2 CYS 76 -2.571 -4.536 -2.277
256 HB3 CYS 76 HB3 CYS 76 -3.594 -3.148 -2.344
257 H GLY 77 H GLY 77 -4.927 -6.670 -1.643
258 HA2 GLY 77 HA2 GLY 77 -7.342 -5.364 -2.621
259 HA3 GLY 77 HA3 GLY 77 -6.894 -7.056 -2.758
260 H SER 78 H SER 78 -6.339 -7.163 0.371
261 HA SER 78 HA SER 78 -9.074 -7.760 1.045
262 HB2 SER 78 HB2 SER 78 -8.068 -8.687 3.100
263 HB3 SER 78 HB3 SER 78 -7.289 -9.306 1.640
264 HG SER 78 HG SER 78 -5.614 -8.778 2.776
265 H ALA 79 H ALA 79 -9.942 -7.072 3.210
266 HA ALA 79 HA ALA 79 -9.033 -4.774 4.582
267 HB1 ALA 79 HB1 ALA 79 -10.861 -3.190 3.983
268 HB2 ALA 79 HB2 ALA 79 -9.721 -3.444 2.653
269 HB3 ALA 79 HB3 ALA 79 -11.304 -4.245 2.634
270 H THR 80 H THR 80 -12.345 -5.870 3.592
271 HA THR 80 HA THR 80 -12.858 -6.519 6.457
272 HB THR 80 HB THR 80 -15.266 -6.110 5.801
273 HG1 THR 80 HG1 THR 80 -14.673 -6.161 3.448
274 HG21 THR 80 HG21 THR 80 -13.332 -3.753 5.533
275 HG22 THR 80 HG22 THR 80 -13.914 -4.453 7.056
276 HG23 THR 80 HG23 THR 80 -15.054 -3.668 5.960
277 H ALA 81 H ALA 81 -12.893 -7.912 3.241
278 HA ALA 81 HA ALA 81 -13.273 -9.937 2.419
279 HB1 ALA 81 HB1 ALA 81 -11.703 -10.400 4.420
280 HB2 ALA 81 HB2 ALA 81 -13.133 -11.057 5.226
281 HB3 ALA 81 HB3 ALA 81 -12.531 -11.780 3.725
282 HA PRO 82 HA PRO 82 -17.570 -10.914 2.734
283 HB2 PRO 82 HB2 PRO 82 -17.826 -13.522 2.040
284 HB3 PRO 82 HB3 PRO 82 -17.273 -12.265 0.903
285 HG2 PRO 82 HG2 PRO 82 -15.610 -14.267 2.425
286 HG3 PRO 82 HG3 PRO 82 -15.416 -13.678 0.733
287 HD2 PRO 82 HD2 PRO 82 -14.030 -12.821 2.951
288 HD3 PRO 82 HD3 PRO 82 -14.182 -11.896 1.421
289 H GLY 83 H GLY 83 -15.457 -12.009 5.135
290 HA2 GLY 83 HA2 GLY 83 -17.588 -12.669 6.998
291 HA3 GLY 83 HA3 GLY 83 -16.392 -13.945 6.670
Start of MODEL 9
1 H1 GLY 31 H GLY 31 19.945 1.117 -7.831
2 HA2 GLY 31 HA2 GLY 31 19.116 -0.722 -6.429
3 HA3 GLY 31 HA3 GLY 31 19.153 0.819 -5.540
4 H GLU 32 H GLU 32 17.413 -1.402 -4.843
5 HA GLU 32 HA GLU 32 14.752 -0.241 -5.538
6 HB2 GLU 32 HB2 GLU 32 15.489 -3.150 -4.961
7 HB3 GLU 32 HB3 GLU 32 13.864 -2.546 -5.254
8 HG2 GLU 32 HG2 GLU 32 16.152 -2.752 -7.207
9 HG3 GLU 32 HG3 GLU 32 14.579 -3.539 -7.266
10 H HIS 33 H HIS 33 13.081 -0.758 -3.980
11 HA HIS 33 HA HIS 33 13.990 -0.850 -1.182
12 HB2 HIS 33 HB2 HIS 33 12.928 1.446 -2.485
13 HB3 HIS 33 HB3 HIS 33 11.674 0.787 -1.424
14 HD2 HIS 33 HD2 HIS 33 15.512 0.750 -0.875
15 HE1 HIS 33 HE1 HIS 33 13.941 2.995 2.316
16 HE2 HIS 33 HE2 HIS 33 16.016 1.963 1.388
17 H THR 34 H THR 34 12.157 -1.408 0.356
18 HA THR 34 HA THR 34 10.845 -3.768 -0.720
19 HB THR 34 HB THR 34 9.983 -2.534 1.877
20 HG1 THR 34 HG1 THR 34 12.626 -3.444 1.373
21 HG21 THR 34 HG21 THR 34 9.265 -4.804 1.067
22 HG22 THR 34 HG22 THR 34 10.100 -4.823 2.633
23 HG23 THR 34 HG23 THR 34 10.964 -5.315 1.162
24 H THR 35 H THR 35 9.237 -3.445 -2.173
25 HA THR 35 HA THR 35 7.272 -1.306 -1.570
26 HB THR 35 HB THR 35 7.048 -1.046 -4.102
27 HG1 THR 35 HG1 THR 35 8.092 -2.756 -4.915
28 HG21 THR 35 HG21 THR 35 8.398 0.433 -2.445
29 HG22 THR 35 HG22 THR 35 8.823 0.565 -4.156
30 HG23 THR 35 HG23 THR 35 9.852 -0.368 -3.064
31 H CYS 36 H CYS 36 5.285 -1.647 -2.240
32 HA CYS 36 HA CYS 36 4.292 -4.382 -2.087
33 HB2 CYS 36 HB2 CYS 36 3.062 -2.055 -1.904
34 HB3 CYS 36 HB3 CYS 36 3.145 -2.001 -3.585
35 H GLY 37 H GLY 37 4.476 -5.897 -3.510
36 HA2 GLY 37 HA2 GLY 37 5.537 -6.267 -5.852
37 HA3 GLY 37 HA3 GLY 37 4.005 -7.054 -5.491
38 H CYS 38 H CYS 38 2.420 -4.388 -5.679
39 HA CYS 38 HA CYS 38 1.928 -4.594 -8.516
40 HB2 CYS 38 HB2 CYS 38 0.457 -2.752 -8.251
41 HB3 CYS 38 HB3 CYS 38 0.238 -3.868 -7.000
42 H GLY 39 H GLY 39 4.491 -3.177 -6.819
43 HA2 GLY 39 HA2 GLY 39 6.288 -2.042 -7.403
44 HA3 GLY 39 HA3 GLY 39 5.564 -1.622 -8.978
45 H GLU 40 H GLU 40 4.749 -1.016 -5.374
46 HA GLU 40 HA GLU 40 5.074 1.804 -5.819
47 HB2 GLU 40 HB2 GLU 40 2.829 1.317 -6.860
48 HB3 GLU 40 HB3 GLU 40 2.280 0.717 -5.283
49 HG2 GLU 40 HG2 GLU 40 2.735 2.918 -4.288
50 HG3 GLU 40 HG3 GLU 40 3.412 3.483 -5.811
51 H HIS 41 H HIS 41 5.795 2.582 -3.859
52 HA HIS 41 HA HIS 41 6.276 1.130 -1.605
53 HB2 HIS 41 HB2 HIS 41 6.164 3.994 -2.422
54 HB3 HIS 41 HB3 HIS 41 6.007 3.706 -0.712
55 HD1 HIS 41 HD1 HIS 41 8.692 3.198 -3.509
56 HD2 HIS 41 HD2 HIS 41 8.078 3.085 0.657
57 HE1 HIS 41 HE1 HIS 41 10.986 2.739 -2.425
58 H CYS 42 H CYS 42 5.190 0.516 0.221
59 HA CYS 42 HA CYS 42 2.628 1.765 0.909
60 HB2 CYS 42 HB2 CYS 42 2.243 0.051 -0.890
61 HB3 CYS 42 HB3 CYS 42 2.885 -1.180 0.217
62 H GLY 43 H GLY 43 1.627 0.974 3.044
63 HA2 GLY 43 HA2 GLY 43 3.569 0.425 4.994
64 HA3 GLY 43 HA3 GLY 43 1.816 0.282 5.180
65 H CYS 44 H CYS 44 1.821 -1.608 2.899
66 HA CYS 44 HA CYS 44 2.148 -4.072 4.399
67 HB2 CYS 44 HB2 CYS 44 1.271 -5.145 2.429
68 HB3 CYS 44 HB3 CYS 44 0.349 -3.655 2.812
69 H ASN 45 H ASN 45 4.493 -2.193 3.238
70 HA ASN 45 HA ASN 45 6.405 -4.357 2.924
71 HB2 ASN 45 HB2 ASN 45 5.798 -2.221 0.894
72 HB3 ASN 45 HB3 ASN 45 7.401 -2.981 1.004
73 HD21 ASN 45 HD21 ASN 45 7.632 -5.238 0.532
74 HD22 ASN 45 HD22 ASN 45 6.554 -5.929 -0.602
75 HA PRO 46 HA PRO 46 7.541 -0.892 5.771
76 HB2 PRO 46 HB2 PRO 46 8.802 -2.429 7.629
77 HB3 PRO 46 HB3 PRO 46 7.033 -2.152 7.630
78 HG2 PRO 46 HG2 PRO 46 8.579 -4.541 6.571
79 HG3 PRO 46 HG3 PRO 46 7.096 -4.534 7.563
80 HD2 PRO 46 HD2 PRO 46 7.046 -4.838 4.841
81 HD3 PRO 46 HD3 PRO 46 5.752 -3.948 5.702
82 H CYS 47 H CYS 47 9.233 0.160 4.834
83 HA CYS 47 HA CYS 47 11.670 -1.360 4.042
84 HB2 CYS 47 HB2 CYS 47 11.978 0.527 2.454
85 HB3 CYS 47 HB3 CYS 47 10.577 -0.474 2.063
86 H ALA 48 H ALA 48 13.618 -0.105 4.118
87 HA ALA 48 HA ALA 48 14.283 1.108 6.475
88 HB1 ALA 48 HB1 ALA 48 15.776 0.062 4.816
89 HB2 ALA 48 HB2 ALA 48 15.517 1.436 3.719
90 HB3 ALA 48 HB3 ALA 48 16.362 1.674 5.261
91 H CYS 49 H CYS 49 12.489 2.663 4.108
92 HA CYS 49 HA CYS 49 13.208 5.391 5.092
93 HB2 CYS 49 HB2 CYS 49 12.876 6.346 3.097
94 HB3 CYS 49 HB3 CYS 49 13.679 4.884 2.631
95 H GLY 50 H GLY 50 10.739 3.001 4.991
96 HA2 GLY 50 HA2 GLY 50 8.495 2.984 5.452
97 HA3 GLY 50 HA3 GLY 50 8.899 4.303 6.551
98 H ARG 51 H ARG 51 9.269 4.846 3.111
99 HA ARG 51 HA ARG 51 7.438 7.076 3.199
100 HB2 ARG 51 HB2 ARG 51 9.450 7.055 1.764
101 HB3 ARG 51 HB3 ARG 51 8.747 5.746 0.791
102 HG2 ARG 51 HG2 ARG 51 6.811 7.267 0.242
103 HG3 ARG 51 HG3 ARG 51 7.621 8.571 1.128
104 HD2 ARG 51 HD2 ARG 51 8.612 7.092 -1.341
105 HD3 ARG 51 HD3 ARG 51 7.974 8.741 -1.301
106 HE ARG 51 HE ARG 51 10.051 8.735 0.564
107 HH11 ARG 51 HH11 ARG 51 9.690 8.621 -2.961
108 HH12 ARG 51 HH12 ARG 51 11.349 8.988 -3.293
109 HH21 ARG 51 HH21 ARG 51 12.299 8.984 0.162
110 HH22 ARG 51 HH22 ARG 51 12.829 9.281 -1.464
111 H GLU 52 H GLU 52 5.343 7.187 2.640
112 HA GLU 52 HA GLU 52 4.083 5.122 0.991
113 HB2 GLU 52 HB2 GLU 52 3.208 5.769 3.858
114 HB3 GLU 52 HB3 GLU 52 2.285 4.826 2.669
115 HG2 GLU 52 HG2 GLU 52 4.006 3.105 2.626
116 HG3 GLU 52 HG3 GLU 52 5.025 4.050 3.722
117 H GLY 53 H GLY 53 2.887 6.360 -0.451
118 HA2 GLY 53 HA2 GLY 53 2.656 9.214 -0.138
119 HA3 GLY 53 HA3 GLY 53 1.906 8.203 -1.396
120 H THR 54 H THR 54 0.181 9.928 -0.902
121 HA THR 54 HA THR 54 -1.300 10.129 1.408
122 HB THR 54 HB THR 54 -2.292 10.242 -1.467
123 HG1 THR 54 HG1 THR 54 -1.073 12.343 -0.009
124 HG21 THR 54 HG21 THR 54 -3.166 11.735 1.039
125 HG22 THR 54 HG22 THR 54 -4.110 10.536 0.136
126 HG23 THR 54 HG23 THR 54 -3.715 12.089 -0.618
127 HA PRO 55 HA PRO 55 -3.037 5.948 1.329
128 HB2 PRO 55 HB2 PRO 55 -4.129 5.971 3.802
129 HB3 PRO 55 HB3 PRO 55 -2.370 5.705 3.530
130 HG2 PRO 55 HG2 PRO 55 -3.786 8.256 4.346
131 HG3 PRO 55 HG3 PRO 55 -2.293 7.539 5.032
132 HD2 PRO 55 HD2 PRO 55 -2.220 9.505 3.143
133 HD3 PRO 55 HD3 PRO 55 -1.013 8.202 3.189
134 H SER 56 H SER 56 -4.724 6.045 -0.063
135 HA SER 56 HA SER 56 -6.688 8.128 -0.073
136 HB2 SER 56 HB2 SER 56 -6.451 5.488 -1.576
137 HB3 SER 56 HB3 SER 56 -7.617 6.774 -1.944
138 HG SER 56 HG SER 56 -4.784 7.201 -1.841
139 H GLY 57 H GLY 57 -7.751 8.174 1.873
140 HA2 GLY 57 HA2 GLY 57 -8.808 5.961 3.294
141 HA3 GLY 57 HA3 GLY 57 -9.342 7.637 3.408
142 H ARG 58 H ARG 58 -9.975 7.830 0.542
143 HA ARG 58 HA ARG 58 -12.655 6.969 0.564
144 HB2 ARG 58 HB2 ARG 58 -12.838 7.819 -1.660
145 HB3 ARG 58 HB3 ARG 58 -11.875 8.927 -0.693
146 HG2 ARG 58 HG2 ARG 58 -9.804 8.134 -1.754
147 HG3 ARG 58 HG3 ARG 58 -10.681 6.891 -2.654
148 HD2 ARG 58 HD2 ARG 58 -11.221 9.881 -2.899
149 HD3 ARG 58 HD3 ARG 58 -10.149 8.998 -3.968
150 HE ARG 58 HE ARG 58 -13.083 8.873 -3.798
151 HH11 ARG 58 HH11 ARG 58 -10.142 7.706 -5.427
152 HH12 ARG 58 HH12 ARG 58 -10.987 7.014 -6.759
153 HH21 ARG 58 HH21 ARG 58 -14.222 7.768 -5.535
154 HH22 ARG 58 HH22 ARG 58 -13.307 7.079 -6.833
155 H ALA 59 H ALA 59 -10.225 4.938 0.296
156 HA ALA 59 HA ALA 59 -11.581 3.093 -1.594
157 HB1 ALA 59 HB1 ALA 59 -8.745 2.965 -0.566
158 HB2 ALA 59 HB2 ALA 59 -9.492 1.911 -1.792
159 HB3 ALA 59 HB3 ALA 59 -9.239 3.636 -2.151
160 H ASN 60 H ASN 60 -11.536 3.679 1.577
161 HA ASN 60 HA ASN 60 -12.097 2.507 3.468
162 HB2 ASN 60 HB2 ASN 60 -13.171 0.198 1.863
163 HB3 ASN 60 HB3 ASN 60 -13.757 0.896 3.360
164 HD21 ASN 60 HD21 ASN 60 -13.700 1.074 -0.150
165 HD22 ASN 60 HD22 ASN 60 -14.714 2.468 -0.353
166 H ARG 61 H ARG 61 -9.423 2.062 2.373
167 HA ARG 61 HA ARG 61 -8.858 -0.761 3.113
168 HB2 ARG 61 HB2 ARG 61 -7.147 1.343 1.776
169 HB3 ARG 61 HB3 ARG 61 -6.557 -0.253 2.202
170 HG2 ARG 61 HG2 ARG 61 -8.700 0.530 0.168
171 HG3 ARG 61 HG3 ARG 61 -7.186 -0.290 -0.104
172 HD2 ARG 61 HD2 ARG 61 -8.836 -1.900 -0.505
173 HD3 ARG 61 HD3 ARG 61 -8.156 -2.332 1.060
174 HE ARG 61 HE ARG 61 -10.189 -1.246 2.081
175 HH11 ARG 61 HH11 ARG 61 -10.824 -1.945 -1.360
176 HH12 ARG 61 HH12 ARG 61 -12.277 -2.777 -1.001
177 HH21 ARG 61 HH21 ARG 61 -12.289 -1.886 2.417
178 HH22 ARG 61 HH22 ARG 61 -13.233 -2.450 1.094
179 H ARG 62 H ARG 62 -6.267 -0.411 4.239
180 HA ARG 62 HA ARG 62 -7.165 -0.032 6.950
181 HB2 ARG 62 HB2 ARG 62 -4.937 -1.229 5.601
182 HB3 ARG 62 HB3 ARG 62 -4.235 -0.020 6.626
183 HG2 ARG 62 HG2 ARG 62 -4.268 -1.837 8.038
184 HG3 ARG 62 HG3 ARG 62 -5.714 -0.983 8.557
185 HD2 ARG 62 HD2 ARG 62 -7.134 -2.489 7.292
186 HD3 ARG 62 HD3 ARG 62 -5.752 -3.238 6.490
187 HE ARG 62 HE ARG 62 -6.893 -3.928 9.018
188 HH11 ARG 62 HH11 ARG 62 -3.576 -3.633 7.706
189 HH12 ARG 62 HH12 ARG 62 -3.108 -5.200 8.246
190 HH21 ARG 62 HH21 ARG 62 -6.130 -5.892 9.910
191 HH22 ARG 62 HH22 ARG 62 -4.463 -6.343 9.811
192 H ALA 63 H ALA 63 -6.607 2.511 4.923
193 HA ALA 63 HA ALA 63 -6.195 4.677 5.220
194 HB1 ALA 63 HB1 ALA 63 -7.336 4.449 7.516
195 HB2 ALA 63 HB2 ALA 63 -5.680 4.351 8.178
196 HB3 ALA 63 HB3 ALA 63 -6.189 5.788 7.304
197 H ASN 64 H ASN 64 -4.149 2.341 5.296
198 HA ASN 64 HA ASN 64 -1.700 4.018 5.449
199 HB2 ASN 64 HB2 ASN 64 -1.980 1.144 6.400
200 HB3 ASN 64 HB3 ASN 64 -0.469 2.065 6.297
201 HD21 ASN 64 HD21 ASN 64 -0.717 4.438 7.356
202 HD22 ASN 64 HD22 ASN 64 -1.431 4.394 8.945
203 H CYS 65 H CYS 65 -3.656 2.788 3.212
204 HA CYS 65 HA CYS 65 -1.405 1.794 1.551
205 HB2 CYS 65 HB2 CYS 65 -3.190 0.117 1.900
206 HB3 CYS 65 HB3 CYS 65 -4.353 1.243 1.179
207 H SER 66 H SER 66 -0.779 3.568 0.299
208 HA SER 66 HA SER 66 -2.709 5.460 -0.851
209 HB2 SER 66 HB2 SER 66 -0.597 6.513 -1.553
210 HB3 SER 66 HB3 SER 66 -0.563 6.084 0.169
211 HG SER 66 HG SER 66 1.085 5.372 -1.759
212 H CYS 67 H CYS 67 -0.938 2.684 -1.596
213 HA CYS 67 HA CYS 67 -1.101 2.925 -4.506
214 HB2 CYS 67 HB2 CYS 67 0.185 1.122 -4.721
215 HB3 CYS 67 HB3 CYS 67 0.895 2.080 -3.400
216 H GLY 68 H GLY 68 -2.782 2.594 -5.449
217 HA2 GLY 68 HA2 GLY 68 -4.529 0.214 -5.118
218 HA3 GLY 68 HA3 GLY 68 -5.067 1.848 -5.549
219 H ALA 69 H ALA 69 -2.622 2.401 -7.222
220 HA ALA 69 HA ALA 69 -3.431 1.731 -9.726
221 HB1 ALA 69 HB1 ALA 69 -0.558 2.082 -8.765
222 HB2 ALA 69 HB2 ALA 69 -1.138 2.215 -10.433
223 HB3 ALA 69 HB3 ALA 69 -1.675 3.388 -9.224
224 H ALA 70 H ALA 70 -3.896 -0.033 -10.269
225 HA ALA 70 HA ALA 70 -4.293 -2.390 -10.483
226 HB1 ALA 70 HB1 ALA 70 -2.699 -3.309 -12.072
227 HB2 ALA 70 HB2 ALA 70 -2.961 -1.608 -12.446
228 HB3 ALA 70 HB3 ALA 70 -1.469 -2.095 -11.614
229 H CYS 71 H CYS 71 -4.083 -2.134 -8.019
230 HA CYS 71 HA CYS 71 -1.776 -3.562 -6.910
231 HB2 CYS 71 HB2 CYS 71 -2.424 -1.276 -6.166
232 HB3 CYS 71 HB3 CYS 71 -3.899 -1.991 -5.482
233 H ASN 72 H ASN 72 -2.585 -5.509 -7.755
234 HA ASN 72 HA ASN 72 -4.708 -7.036 -6.753
235 HB2 ASN 72 HB2 ASN 72 -3.460 -8.896 -7.658
236 HB3 ASN 72 HB3 ASN 72 -3.278 -7.517 -8.742
237 HD21 ASN 72 HD21 ASN 72 -1.485 -9.691 -8.738
238 HD22 ASN 72 HD22 ASN 72 0.035 -9.108 -8.134
239 H CYS 73 H CYS 73 -1.844 -6.335 -5.142
240 HA CYS 73 HA CYS 73 -1.458 -8.514 -3.381
241 HB2 CYS 73 HB2 CYS 73 -0.067 -6.718 -3.367
242 HB3 CYS 73 HB3 CYS 73 -1.320 -5.535 -3.085
243 H ALA 74 H ALA 74 -2.865 -9.593 -2.017
244 HA ALA 74 HA ALA 74 -5.417 -8.883 -1.235
245 HB1 ALA 74 HB1 ALA 74 -5.105 -10.586 0.556
246 HB2 ALA 74 HB2 ALA 74 -4.459 -11.145 -0.999
247 HB3 ALA 74 HB3 ALA 74 -3.362 -10.564 0.273
248 H SER 75 H SER 75 -2.371 -8.313 0.473
249 HA SER 75 HA SER 75 -3.367 -7.098 2.844
250 HB2 SER 75 HB2 SER 75 -1.165 -8.051 2.630
251 HB3 SER 75 HB3 SER 75 -0.781 -6.931 1.331
252 HG SER 75 HG SER 75 -0.558 -6.616 3.978
253 H CYS 76 H CYS 76 -3.462 -5.945 -0.352
254 HA CYS 76 HA CYS 76 -3.792 -3.082 0.522
255 HB2 CYS 76 HB2 CYS 76 -3.205 -4.190 -2.234
256 HB3 CYS 76 HB3 CYS 76 -3.755 -2.546 -1.889
257 H GLY 77 H GLY 77 -5.403 -5.860 -1.330
258 HA2 GLY 77 HA2 GLY 77 -7.602 -6.197 -1.362
259 HA3 GLY 77 HA3 GLY 77 -7.859 -4.785 -0.337
260 H SER 78 H SER 78 -6.258 -4.931 -3.431
261 HA SER 78 HA SER 78 -6.435 -3.463 -5.275
262 HB2 SER 78 HB2 SER 78 -9.023 -5.035 -5.217
263 HB3 SER 78 HB3 SER 78 -8.382 -4.183 -6.625
264 HG SER 78 HG SER 78 -7.713 -6.210 -6.792
265 H ALA 79 H ALA 79 -6.468 -1.424 -4.089
266 HA ALA 79 HA ALA 79 -8.971 -0.111 -3.418
267 HB1 ALA 79 HB1 ALA 79 -7.069 0.589 -2.205
268 HB2 ALA 79 HB2 ALA 79 -6.132 0.912 -3.683
269 HB3 ALA 79 HB3 ALA 79 -7.517 1.929 -3.260
270 H THR 80 H THR 80 -10.359 -0.024 -5.078
271 HA THR 80 HA THR 80 -9.877 1.735 -7.326
272 HB THR 80 HB THR 80 -9.111 -0.557 -8.061
273 HG1 THR 80 HG1 THR 80 -10.814 -0.605 -9.844
274 HG21 THR 80 HG21 THR 80 -10.789 -1.928 -6.782
275 HG22 THR 80 HG22 THR 80 -10.688 -2.324 -8.497
276 HG23 THR 80 HG23 THR 80 -12.041 -1.342 -7.887
277 H ALA 81 H ALA 81 -12.139 1.854 -8.518
278 HA ALA 81 HA ALA 81 -14.471 1.314 -6.842
279 HB1 ALA 81 HB1 ALA 81 -13.623 4.176 -7.541
280 HB2 ALA 81 HB2 ALA 81 -15.173 3.708 -6.835
281 HB3 ALA 81 HB3 ALA 81 -13.684 3.466 -5.906
282 HA PRO 82 HA PRO 82 -16.267 0.841 -10.817
283 HB2 PRO 82 HB2 PRO 82 -18.842 1.830 -10.471
284 HB3 PRO 82 HB3 PRO 82 -18.278 0.223 -9.925
285 HG2 PRO 82 HG2 PRO 82 -18.469 2.780 -8.315
286 HG3 PRO 82 HG3 PRO 82 -18.981 1.122 -7.856
287 HD2 PRO 82 HD2 PRO 82 -16.659 2.106 -6.983
288 HD3 PRO 82 HD3 PRO 82 -16.763 0.412 -7.543
289 H GLY 83 H GLY 83 -15.728 1.979 -12.487
290 HA2 GLY 83 HA2 GLY 83 -16.630 4.568 -13.207
291 HA3 GLY 83 HA3 GLY 83 -14.900 4.594 -12.721
Start of MODEL 10
1 H1 GLY 31 H GLY 31 18.090 -2.795 -7.433
2 HA2 GLY 31 HA2 GLY 31 18.816 -3.400 -4.624
3 HA3 GLY 31 HA3 GLY 31 19.469 -2.055 -5.543
4 H GLU 32 H GLU 32 15.923 -2.958 -5.675
5 HA GLU 32 HA GLU 32 15.353 -0.225 -4.810
6 HB2 GLU 32 HB2 GLU 32 13.548 -2.566 -5.598
7 HB3 GLU 32 HB3 GLU 32 12.989 -0.934 -5.238
8 HG2 GLU 32 HG2 GLU 32 14.760 -1.767 -7.543
9 HG3 GLU 32 HG3 GLU 32 13.082 -1.235 -7.622
10 H HIS 33 H HIS 33 13.485 0.046 -3.269
11 HA HIS 33 HA HIS 33 14.264 -1.225 -0.752
12 HB2 HIS 33 HB2 HIS 33 13.186 1.287 -1.544
13 HB3 HIS 33 HB3 HIS 33 11.931 0.516 -0.571
14 HD2 HIS 33 HD2 HIS 33 15.574 -0.168 0.287
15 HE1 HIS 33 HE1 HIS 33 14.359 2.775 3.058
16 HE2 HIS 33 HE2 HIS 33 16.251 1.194 2.413
17 H THR 34 H THR 34 12.080 -1.553 0.780
18 HA THR 34 HA THR 34 10.830 -3.905 -0.419
19 HB THR 34 HB THR 34 10.113 -2.548 2.195
20 HG1 THR 34 HG1 THR 34 11.931 -3.315 3.120
21 HG21 THR 34 HG21 THR 34 8.834 -4.500 1.692
22 HG22 THR 34 HG22 THR 34 9.994 -4.961 2.929
23 HG23 THR 34 HG23 THR 34 10.288 -5.422 1.237
24 H THR 35 H THR 35 9.289 -3.500 -1.923
25 HA THR 35 HA THR 35 7.415 -1.231 -1.479
26 HB THR 35 HB THR 35 7.305 -0.999 -3.996
27 HG1 THR 35 HG1 THR 35 8.430 -2.959 -4.517
28 HG21 THR 35 HG21 THR 35 9.148 0.567 -4.047
29 HG22 THR 35 HG22 THR 35 10.075 -0.385 -2.862
30 HG23 THR 35 HG23 THR 35 8.618 0.485 -2.356
31 H CYS 36 H CYS 36 5.367 -1.543 -2.386
32 HA CYS 36 HA CYS 36 4.276 -4.119 -2.031
33 HB2 CYS 36 HB2 CYS 36 3.239 -1.704 -2.032
34 HB3 CYS 36 HB3 CYS 36 3.412 -1.771 -3.762
35 H GLY 37 H GLY 37 3.803 -5.765 -3.452
36 HA2 GLY 37 HA2 GLY 37 5.231 -6.427 -5.586
37 HA3 GLY 37 HA3 GLY 37 3.565 -6.974 -5.390
38 H CYS 38 H CYS 38 3.064 -3.863 -5.812
39 HA CYS 38 HA CYS 38 2.670 -4.046 -8.740
40 HB2 CYS 38 HB2 CYS 38 1.157 -2.366 -8.574
41 HB3 CYS 38 HB3 CYS 38 0.793 -3.497 -7.284
42 H GLY 39 H GLY 39 5.081 -3.175 -6.952
43 HA2 GLY 39 HA2 GLY 39 7.062 -2.090 -7.398
44 HA3 GLY 39 HA3 GLY 39 6.338 -1.376 -8.845
45 H GLU 40 H GLU 40 4.912 -0.817 -5.514
46 HA GLU 40 HA GLU 40 6.216 1.811 -5.543
47 HB2 GLU 40 HB2 GLU 40 4.417 2.783 -6.183
48 HB3 GLU 40 HB3 GLU 40 3.585 1.316 -6.475
49 HG2 GLU 40 HG2 GLU 40 3.422 2.486 -3.667
50 HG3 GLU 40 HG3 GLU 40 2.482 3.144 -4.976
51 H HIS 41 H HIS 41 6.356 2.856 -3.631
52 HA HIS 41 HA HIS 41 6.616 1.349 -1.231
53 HB2 HIS 41 HB2 HIS 41 6.958 4.173 -2.207
54 HB3 HIS 41 HB3 HIS 41 6.647 3.972 -0.511
55 HD1 HIS 41 HD1 HIS 41 9.454 3.044 -3.103
56 HD2 HIS 41 HD2 HIS 41 8.587 3.198 1.037
57 HE1 HIS 41 HE1 HIS 41 11.631 2.663 -1.870
58 H CYS 42 H CYS 42 4.927 0.609 -0.053
59 HA CYS 42 HA CYS 42 2.549 2.303 0.394
60 HB2 CYS 42 HB2 CYS 42 2.198 0.655 -1.507
61 HB3 CYS 42 HB3 CYS 42 2.379 -0.644 -0.326
62 H GLY 43 H GLY 43 1.426 1.611 2.379
63 HA2 GLY 43 HA2 GLY 43 3.285 1.100 4.439
64 HA3 GLY 43 HA3 GLY 43 1.538 0.974 4.623
65 H CYS 44 H CYS 44 1.578 -1.132 2.565
66 HA CYS 44 HA CYS 44 1.676 -3.399 4.314
67 HB2 CYS 44 HB2 CYS 44 0.811 -4.605 2.393
68 HB3 CYS 44 HB3 CYS 44 0.046 -2.979 2.512
69 H ASN 45 H ASN 45 4.262 -1.842 3.059
70 HA ASN 45 HA ASN 45 5.888 -4.261 2.993
71 HB2 ASN 45 HB2 ASN 45 5.562 -2.289 0.769
72 HB3 ASN 45 HB3 ASN 45 7.190 -2.920 1.097
73 HD21 ASN 45 HD21 ASN 45 7.669 -5.186 0.618
74 HD22 ASN 45 HD22 ASN 45 6.526 -6.047 -0.351
75 HA PRO 46 HA PRO 46 7.413 -0.837 5.646
76 HB2 PRO 46 HB2 PRO 46 8.528 -2.373 7.613
77 HB3 PRO 46 HB3 PRO 46 6.783 -1.982 7.549
78 HG2 PRO 46 HG2 PRO 46 8.150 -4.510 6.618
79 HG3 PRO 46 HG3 PRO 46 6.653 -4.345 7.591
80 HD2 PRO 46 HD2 PRO 46 6.636 -4.764 4.890
81 HD3 PRO 46 HD3 PRO 46 5.371 -3.760 5.684
82 H CYS 47 H CYS 47 9.409 0.015 5.420
83 HA CYS 47 HA CYS 47 11.718 -1.647 4.567
84 HB2 CYS 47 HB2 CYS 47 12.311 0.273 3.091
85 HB3 CYS 47 HB3 CYS 47 10.913 -0.642 2.486
86 H ALA 48 H ALA 48 13.735 -0.441 4.842
87 HA ALA 48 HA ALA 48 14.176 0.670 7.312
88 HB1 ALA 48 HB1 ALA 48 15.896 -0.263 5.849
89 HB2 ALA 48 HB2 ALA 48 15.675 1.079 4.704
90 HB3 ALA 48 HB3 ALA 48 16.344 1.384 6.308
91 H CYS 49 H CYS 49 12.638 2.321 4.756
92 HA CYS 49 HA CYS 49 13.153 4.954 6.067
93 HB2 CYS 49 HB2 CYS 49 13.156 6.102 4.137
94 HB3 CYS 49 HB3 CYS 49 14.017 4.656 3.674
95 H GLY 50 H GLY 50 10.790 2.606 5.616
96 HA2 GLY 50 HA2 GLY 50 8.518 2.542 5.820
97 HA3 GLY 50 HA3 GLY 50 8.786 3.806 7.011
98 H ARG 51 H ARG 51 9.407 4.579 3.698
99 HA ARG 51 HA ARG 51 7.519 6.727 3.656
100 HB2 ARG 51 HB2 ARG 51 9.658 6.728 2.447
101 HB3 ARG 51 HB3 ARG 51 9.103 5.453 1.378
102 HG2 ARG 51 HG2 ARG 51 7.992 8.280 1.499
103 HG3 ARG 51 HG3 ARG 51 9.198 7.672 0.380
104 HD2 ARG 51 HD2 ARG 51 7.583 6.108 -0.603
105 HD3 ARG 51 HD3 ARG 51 6.309 6.761 0.426
106 HE ARG 51 HE ARG 51 7.320 7.872 -2.011
107 HH11 ARG 51 HH11 ARG 51 5.894 8.970 1.130
108 HH12 ARG 51 HH12 ARG 51 5.036 10.246 0.356
109 HH21 ARG 51 HH21 ARG 51 6.049 9.506 -2.923
110 HH22 ARG 51 HH22 ARG 51 5.069 10.520 -1.907
111 H GLU 52 H GLU 52 5.411 6.753 3.064
112 HA GLU 52 HA GLU 52 4.380 4.852 1.128
113 HB2 GLU 52 HB2 GLU 52 2.409 4.324 2.505
114 HB3 GLU 52 HB3 GLU 52 3.889 3.497 2.960
115 HG2 GLU 52 HG2 GLU 52 4.125 4.649 4.965
116 HG3 GLU 52 HG3 GLU 52 3.083 5.992 4.489
117 H GLY 53 H GLY 53 3.607 6.180 -0.269
118 HA2 GLY 53 HA2 GLY 53 3.214 8.931 0.013
119 HA3 GLY 53 HA3 GLY 53 2.563 7.939 -1.288
120 H THR 54 H THR 54 1.228 10.042 -0.642
121 HA THR 54 HA THR 54 -0.565 10.190 1.391
122 HB THR 54 HB THR 54 -1.138 11.084 -1.437
123 HG1 THR 54 HG1 THR 54 0.461 12.263 0.612
124 HG21 THR 54 HG21 THR 54 -2.997 11.417 0.156
125 HG22 THR 54 HG22 THR 54 -2.248 12.969 -0.266
126 HG23 THR 54 HG23 THR 54 -1.888 12.209 1.297
127 HA PRO 55 HA PRO 55 -2.870 6.472 0.457
128 HB2 PRO 55 HB2 PRO 55 -4.360 6.363 2.762
129 HB3 PRO 55 HB3 PRO 55 -2.639 5.908 2.657
130 HG2 PRO 55 HG2 PRO 55 -3.838 8.466 3.697
131 HG3 PRO 55 HG3 PRO 55 -2.433 7.554 4.318
132 HD2 PRO 55 HD2 PRO 55 -2.258 9.773 2.710
133 HD3 PRO 55 HD3 PRO 55 -1.016 8.494 2.804
134 H SER 56 H SER 56 -4.796 6.019 -0.479
135 HA SER 56 HA SER 56 -6.517 8.184 -1.266
136 HB2 SER 56 HB2 SER 56 -6.750 5.165 -1.641
137 HB3 SER 56 HB3 SER 56 -7.662 6.403 -2.527
138 HG SER 56 HG SER 56 -5.597 7.228 -3.222
139 H GLY 57 H GLY 57 -7.536 9.029 0.582
140 HA2 GLY 57 HA2 GLY 57 -9.043 7.431 2.489
141 HA3 GLY 57 HA3 GLY 57 -8.966 9.201 2.361
142 H ARG 58 H ARG 58 -10.142 6.376 0.637
143 HA ARG 58 HA ARG 58 -12.763 7.573 0.140
144 HB2 ARG 58 HB2 ARG 58 -12.590 7.221 -2.361
145 HB3 ARG 58 HB3 ARG 58 -11.665 8.541 -1.682
146 HG2 ARG 58 HG2 ARG 58 -9.598 7.178 -1.773
147 HG3 ARG 58 HG3 ARG 58 -10.495 5.878 -2.550
148 HD2 ARG 58 HD2 ARG 58 -10.142 8.704 -3.624
149 HD3 ARG 58 HD3 ARG 58 -9.145 7.332 -4.094
150 HE ARG 58 HE ARG 58 -11.825 7.970 -5.019
151 HH11 ARG 58 HH11 ARG 58 -9.377 5.298 -4.859
152 HH12 ARG 58 HH12 ARG 58 -10.178 4.420 -6.078
153 HH21 ARG 58 HH21 ARG 58 -12.779 6.789 -6.558
154 HH22 ARG 58 HH22 ARG 58 -12.242 5.174 -6.981
155 H ALA 59 H ALA 59 -11.505 5.115 1.583
156 HA ALA 59 HA ALA 59 -13.568 3.352 1.051
157 HB1 ALA 59 HB1 ALA 59 -10.950 2.564 -0.270
158 HB2 ALA 59 HB2 ALA 59 -12.151 1.364 0.237
159 HB3 ALA 59 HB3 ALA 59 -12.593 2.553 -0.960
160 H ASN 60 H ASN 60 -13.329 1.416 2.221
161 HA ASN 60 HA ASN 60 -12.465 1.572 4.876
162 HB2 ASN 60 HB2 ASN 60 -13.330 -0.777 4.944
163 HB3 ASN 60 HB3 ASN 60 -14.419 0.373 4.205
164 HD21 ASN 60 HD21 ASN 60 -15.597 -0.875 2.808
165 HD22 ASN 60 HD22 ASN 60 -14.871 -1.903 1.556
166 H ARG 61 H ARG 61 -10.124 1.731 3.079
167 HA ARG 61 HA ARG 61 -8.627 -0.742 3.484
168 HB2 ARG 61 HB2 ARG 61 -7.471 1.880 2.474
169 HB3 ARG 61 HB3 ARG 61 -6.888 0.243 2.157
170 HG2 ARG 61 HG2 ARG 61 -9.302 1.668 1.003
171 HG3 ARG 61 HG3 ARG 61 -7.908 1.025 0.149
172 HD2 ARG 61 HD2 ARG 61 -8.684 -1.308 0.703
173 HD3 ARG 61 HD3 ARG 61 -10.119 -0.626 1.479
174 HE ARG 61 HE ARG 61 -9.825 0.359 -1.222
175 HH11 ARG 61 HH11 ARG 61 -11.545 -2.049 0.752
176 HH12 ARG 61 HH12 ARG 61 -12.088 -2.937 -0.618
177 HH21 ARG 61 HH21 ARG 61 -10.952 -0.403 -2.881
178 HH22 ARG 61 HH22 ARG 61 -11.947 -1.817 -2.795
179 H ARG 62 H ARG 62 -6.109 -0.103 4.274
180 HA ARG 62 HA ARG 62 -6.463 0.305 7.077
181 HB2 ARG 62 HB2 ARG 62 -4.309 -0.447 5.075
182 HB3 ARG 62 HB3 ARG 62 -3.752 0.119 6.597
183 HG2 ARG 62 HG2 ARG 62 -5.595 -2.257 6.138
184 HG3 ARG 62 HG3 ARG 62 -3.874 -2.285 6.577
185 HD2 ARG 62 HD2 ARG 62 -4.412 -1.243 8.755
186 HD3 ARG 62 HD3 ARG 62 -6.126 -1.298 8.336
187 HE ARG 62 HE ARG 62 -4.314 -3.587 8.863
188 HH11 ARG 62 HH11 ARG 62 -7.722 -2.490 8.428
189 HH12 ARG 62 HH12 ARG 62 -8.377 -4.035 8.793
190 HH21 ARG 62 HH21 ARG 62 -5.242 -5.566 9.543
191 HH22 ARG 62 HH22 ARG 62 -6.915 -5.873 9.313
192 H ALA 63 H ALA 63 -6.605 2.765 5.078
193 HA ALA 63 HA ALA 63 -6.121 4.974 5.154
194 HB1 ALA 63 HB1 ALA 63 -6.957 4.794 7.474
195 HB2 ALA 63 HB2 ALA 63 -5.289 4.523 8.045
196 HB3 ALA 63 HB3 ALA 63 -5.720 6.051 7.284
197 H ASN 64 H ASN 64 -3.865 2.753 5.012
198 HA ASN 64 HA ASN 64 -1.494 4.569 4.764
199 HB2 ASN 64 HB2 ASN 64 -1.721 1.574 5.291
200 HB3 ASN 64 HB3 ASN 64 -0.192 2.418 5.092
201 HD21 ASN 64 HD21 ASN 64 -0.425 4.631 6.716
202 HD22 ASN 64 HD22 ASN 64 -0.846 4.195 8.361
203 H CYS 65 H CYS 65 -3.758 3.119 2.799
204 HA CYS 65 HA CYS 65 -1.738 1.995 0.934
205 HB2 CYS 65 HB2 CYS 65 -3.539 0.507 1.412
206 HB3 CYS 65 HB3 CYS 65 -4.701 1.672 0.836
207 H SER 66 H SER 66 -0.760 3.472 -0.077
208 HA SER 66 HA SER 66 -1.681 5.905 -1.225
209 HB2 SER 66 HB2 SER 66 0.743 5.896 -1.823
210 HB3 SER 66 HB3 SER 66 0.447 5.485 -0.117
211 HG SER 66 HG SER 66 1.947 4.089 -1.447
212 H CYS 67 H CYS 67 -1.517 2.771 -2.240
213 HA CYS 67 HA CYS 67 -0.875 2.903 -5.086
214 HB2 CYS 67 HB2 CYS 67 -2.946 1.081 -3.889
215 HB3 CYS 67 HB3 CYS 67 -2.091 0.769 -5.388
216 H GLY 68 H GLY 68 -2.514 2.034 -6.883
217 HA2 GLY 68 HA2 GLY 68 -5.092 3.452 -6.833
218 HA3 GLY 68 HA3 GLY 68 -3.975 3.318 -8.231
219 H ALA 69 H ALA 69 -6.104 2.308 -9.045
220 HA ALA 69 HA ALA 69 -6.907 -0.235 -8.200
221 HB1 ALA 69 HB1 ALA 69 -7.159 1.041 -10.940
222 HB2 ALA 69 HB2 ALA 69 -8.025 -0.407 -10.393
223 HB3 ALA 69 HB3 ALA 69 -8.319 1.156 -9.595
224 H ALA 70 H ALA 70 -4.242 0.658 -10.411
225 HA ALA 70 HA ALA 70 -3.780 -2.038 -11.310
226 HB1 ALA 70 HB1 ALA 70 -3.165 -0.059 -12.630
227 HB2 ALA 70 HB2 ALA 70 -1.998 0.407 -11.364
228 HB3 ALA 70 HB3 ALA 70 -1.771 -1.093 -12.289
229 H CYS 71 H CYS 71 -3.933 -2.903 -9.100
230 HA CYS 71 HA CYS 71 -1.281 -3.577 -8.130
231 HB2 CYS 71 HB2 CYS 71 -1.675 -1.533 -6.885
232 HB3 CYS 71 HB3 CYS 71 -3.271 -2.104 -6.382
233 H ASN 72 H ASN 72 -1.498 -5.757 -8.255
234 HA ASN 72 HA ASN 72 -3.983 -7.064 -7.409
235 HB2 ASN 72 HB2 ASN 72 -1.360 -8.153 -8.530
236 HB3 ASN 72 HB3 ASN 72 -2.773 -9.134 -8.164
237 HD21 ASN 72 HD21 ASN 72 -4.954 -8.247 -9.242
238 HD22 ASN 72 HD22 ASN 72 -4.771 -7.804 -10.907
239 H CYS 73 H CYS 73 -1.228 -6.101 -5.739
240 HA CYS 73 HA CYS 73 -0.553 -8.223 -3.982
241 HB2 CYS 73 HB2 CYS 73 0.648 -6.219 -3.733
242 HB3 CYS 73 HB3 CYS 73 -0.838 -5.294 -3.605
243 H ALA 74 H ALA 74 -2.008 -9.596 -2.988
244 HA ALA 74 HA ALA 74 -4.635 -9.182 -2.334
245 HB1 ALA 74 HB1 ALA 74 -2.628 -10.869 -0.763
246 HB2 ALA 74 HB2 ALA 74 -4.384 -11.063 -0.769
247 HB3 ALA 74 HB3 ALA 74 -3.454 -11.369 -2.246
248 H SER 75 H SER 75 -1.793 -8.420 -0.278
249 HA SER 75 HA SER 75 -3.220 -7.681 2.044
250 HB2 SER 75 HB2 SER 75 -0.869 -8.011 2.237
251 HB3 SER 75 HB3 SER 75 -0.511 -6.821 0.974
252 HG SER 75 HG SER 75 -1.628 -6.312 3.497
253 H CYS 76 H CYS 76 -3.044 -6.102 -0.993
254 HA CYS 76 HA CYS 76 -4.041 -3.555 0.203
255 HB2 CYS 76 HB2 CYS 76 -2.987 -4.167 -2.581
256 HB3 CYS 76 HB3 CYS 76 -3.886 -2.760 -2.141
257 H GLY 77 H GLY 77 -5.062 -6.226 -2.035
258 HA2 GLY 77 HA2 GLY 77 -7.412 -4.814 -2.906
259 HA3 GLY 77 HA3 GLY 77 -7.071 -6.546 -3.043
260 H SER 78 H SER 78 -6.890 -7.585 -0.624
261 HA SER 78 HA SER 78 -9.549 -7.410 0.427
262 HB2 SER 78 HB2 SER 78 -7.082 -8.930 1.350
263 HB3 SER 78 HB3 SER 78 -8.751 -9.191 1.919
264 HG SER 78 HG SER 78 -8.379 -10.611 0.270
265 H ALA 79 H ALA 79 -6.364 -6.484 1.659
266 HA ALA 79 HA ALA 79 -5.605 -5.136 3.232
267 HB1 ALA 79 HB1 ALA 79 -8.231 -3.601 3.018
268 HB2 ALA 79 HB2 ALA 79 -6.714 -2.995 3.683
269 HB3 ALA 79 HB3 ALA 79 -6.830 -3.399 1.947
270 H THR 80 H THR 80 -8.513 -6.676 4.099
271 HA THR 80 HA THR 80 -8.778 -6.019 6.778
272 HB THR 80 HB THR 80 -10.391 -7.049 5.256
273 HG1 THR 80 HG1 THR 80 -10.171 -8.914 7.327
274 HG21 THR 80 HG21 THR 80 -9.002 -8.705 4.097
275 HG22 THR 80 HG22 THR 80 -10.421 -9.471 4.831
276 HG23 THR 80 HG23 THR 80 -8.839 -9.649 5.582
277 H ALA 81 H ALA 81 -6.509 -8.483 5.397
278 HA ALA 81 HA ALA 81 -5.318 -8.874 8.099
279 HB1 ALA 81 HB1 ALA 81 -6.463 -11.022 6.233
280 HB2 ALA 81 HB2 ALA 81 -5.477 -11.371 7.638
281 HB3 ALA 81 HB3 ALA 81 -7.064 -10.605 7.856
282 HA PRO 82 HA PRO 82 -1.606 -9.261 5.704
283 HB2 PRO 82 HB2 PRO 82 -0.076 -11.054 7.137
284 HB3 PRO 82 HB3 PRO 82 -0.395 -9.385 7.686
285 HG2 PRO 82 HG2 PRO 82 -1.795 -11.926 8.529
286 HG3 PRO 82 HG3 PRO 82 -1.247 -10.553 9.542
287 HD2 PRO 82 HD2 PRO 82 -3.822 -10.810 8.775
288 HD3 PRO 82 HD3 PRO 82 -3.033 -9.218 8.931
289 H GLY 83 H GLY 83 -0.493 -10.639 4.239
290 HA2 GLY 83 HA2 GLY 83 -0.702 -13.373 3.899
291 HA3 GLY 83 HA3 GLY 83 -2.062 -12.677 2.997
Start of MODEL 11
1 H1 GLY 31 H GLY 31 20.187 -2.066 -4.457
2 HA2 GLY 31 HA2 GLY 31 19.321 -1.605 -6.653
3 HA3 GLY 31 HA3 GLY 31 18.296 -3.040 -6.509
4 H GLU 32 H GLU 32 16.300 -2.712 -6.047
5 HA GLU 32 HA GLU 32 15.023 -0.265 -5.534
6 HB2 GLU 32 HB2 GLU 32 13.068 -1.568 -5.791
7 HB3 GLU 32 HB3 GLU 32 14.262 -2.243 -6.875
8 HG2 GLU 32 HG2 GLU 32 13.170 -3.387 -4.304
9 HG3 GLU 32 HG3 GLU 32 13.143 -4.095 -5.912
10 H HIS 33 H HIS 33 12.947 -0.767 -3.797
11 HA HIS 33 HA HIS 33 14.174 -1.124 -1.133
12 HB2 HIS 33 HB2 HIS 33 13.328 1.346 -2.059
13 HB3 HIS 33 HB3 HIS 33 11.917 0.742 -1.200
14 HD2 HIS 33 HD2 HIS 33 15.634 0.212 -0.291
15 HE1 HIS 33 HE1 HIS 33 14.114 2.753 2.723
16 HE2 HIS 33 HE2 HIS 33 16.139 1.478 1.972
17 H THR 34 H THR 34 12.222 -1.503 0.619
18 HA THR 34 HA THR 34 10.741 -3.694 -0.502
19 HB THR 34 HB THR 34 9.950 -2.434 2.098
20 HG1 THR 34 HG1 THR 34 12.474 -3.740 1.796
21 HG21 THR 34 HG21 THR 34 9.075 -4.582 1.421
22 HG22 THR 34 HG22 THR 34 10.096 -4.798 2.832
23 HG23 THR 34 HG23 THR 34 10.711 -5.232 1.221
24 H THR 35 H THR 35 9.021 -3.381 -1.784
25 HA THR 35 HA THR 35 7.194 -1.124 -1.311
26 HB THR 35 HB THR 35 7.045 -0.856 -3.821
27 HG1 THR 35 HG1 THR 35 8.207 -2.850 -4.335
28 HG21 THR 35 HG21 THR 35 8.836 0.704 -3.966
29 HG22 THR 35 HG22 THR 35 9.819 -0.191 -2.779
30 HG23 THR 35 HG23 THR 35 8.344 0.648 -2.264
31 H CYS 36 H CYS 36 5.154 -1.515 -2.279
32 HA CYS 36 HA CYS 36 4.096 -4.108 -1.864
33 HB2 CYS 36 HB2 CYS 36 2.989 -1.777 -1.971
34 HB3 CYS 36 HB3 CYS 36 3.173 -1.926 -3.705
35 H GLY 37 H GLY 37 3.554 -5.844 -3.385
36 HA2 GLY 37 HA2 GLY 37 5.221 -6.353 -5.405
37 HA3 GLY 37 HA3 GLY 37 3.587 -7.008 -5.328
38 H CYS 38 H CYS 38 2.477 -4.226 -5.664
39 HA CYS 38 HA CYS 38 2.318 -4.195 -8.556
40 HB2 CYS 38 HB2 CYS 38 0.856 -2.370 -8.319
41 HB3 CYS 38 HB3 CYS 38 0.490 -3.457 -7.061
42 H GLY 39 H GLY 39 4.751 -3.105 -6.617
43 HA2 GLY 39 HA2 GLY 39 6.695 -2.022 -7.066
44 HA3 GLY 39 HA3 GLY 39 6.033 -1.435 -8.587
45 H GLU 40 H GLU 40 4.718 -0.857 -5.199
46 HA GLU 40 HA GLU 40 5.516 1.966 -5.457
47 HB2 GLU 40 HB2 GLU 40 3.491 2.475 -6.142
48 HB3 GLU 40 HB3 GLU 40 2.866 0.884 -5.912
49 HG2 GLU 40 HG2 GLU 40 2.973 2.948 -3.684
50 HG3 GLU 40 HG3 GLU 40 1.657 2.700 -4.809
51 H HIS 41 H HIS 41 5.911 3.021 -3.544
52 HA HIS 41 HA HIS 41 6.452 1.516 -1.179
53 HB2 HIS 41 HB2 HIS 41 6.601 4.348 -2.209
54 HB3 HIS 41 HB3 HIS 41 6.457 4.152 -0.477
55 HD1 HIS 41 HD1 HIS 41 9.041 3.247 -3.291
56 HD2 HIS 41 HD2 HIS 41 8.462 3.364 0.884
57 HE1 HIS 41 HE1 HIS 41 11.307 2.628 -2.192
58 H CYS 42 H CYS 42 4.845 0.665 -0.012
59 HA CYS 42 HA CYS 42 2.362 2.125 0.644
60 HB2 CYS 42 HB2 CYS 42 2.251 0.127 -1.184
61 HB3 CYS 42 HB3 CYS 42 2.273 -0.854 0.237
62 H GLY 43 H GLY 43 1.438 1.301 2.641
63 HA2 GLY 43 HA2 GLY 43 3.412 0.872 4.615
64 HA3 GLY 43 HA3 GLY 43 1.683 0.672 4.857
65 H CYS 44 H CYS 44 1.630 -1.446 2.797
66 HA CYS 44 HA CYS 44 1.954 -3.725 4.461
67 HB2 CYS 44 HB2 CYS 44 1.046 -4.924 2.587
68 HB3 CYS 44 HB3 CYS 44 0.267 -3.340 2.765
69 H ASN 45 H ASN 45 4.407 -2.052 3.182
70 HA ASN 45 HA ASN 45 6.104 -4.385 3.029
71 HB2 ASN 45 HB2 ASN 45 5.621 -2.510 0.741
72 HB3 ASN 45 HB3 ASN 45 7.274 -3.103 1.010
73 HD21 ASN 45 HD21 ASN 45 7.716 -5.447 0.902
74 HD22 ASN 45 HD22 ASN 45 6.716 -6.306 -0.227
75 HA PRO 46 HA PRO 46 7.530 -0.769 5.524
76 HB2 PRO 46 HB2 PRO 46 8.630 -2.193 7.580
77 HB3 PRO 46 HB3 PRO 46 6.878 -1.811 7.475
78 HG2 PRO 46 HG2 PRO 46 8.272 -4.368 6.648
79 HG3 PRO 46 HG3 PRO 46 6.793 -4.192 7.653
80 HD2 PRO 46 HD2 PRO 46 6.693 -4.725 5.000
81 HD3 PRO 46 HD3 PRO 46 5.490 -3.642 5.756
82 H CYS 47 H CYS 47 9.502 0.075 5.229
83 HA CYS 47 HA CYS 47 11.825 -1.573 4.402
84 HB2 CYS 47 HB2 CYS 47 12.326 0.329 2.859
85 HB3 CYS 47 HB3 CYS 47 10.920 -0.601 2.346
86 H ALA 48 H ALA 48 13.854 -0.337 4.775
87 HA ALA 48 HA ALA 48 14.129 0.952 7.180
88 HB1 ALA 48 HB1 ALA 48 16.363 1.606 6.365
89 HB2 ALA 48 HB2 ALA 48 15.962 -0.054 5.884
90 HB3 ALA 48 HB3 ALA 48 15.854 1.270 4.697
91 H CYS 49 H CYS 49 12.682 2.436 4.535
92 HA CYS 49 HA CYS 49 13.219 5.174 5.649
93 HB2 CYS 49 HB2 CYS 49 13.095 6.175 3.668
94 HB3 CYS 49 HB3 CYS 49 13.908 4.710 3.197
95 H GLY 50 H GLY 50 10.882 2.747 5.337
96 HA2 GLY 50 HA2 GLY 50 8.650 2.565 5.657
97 HA3 GLY 50 HA3 GLY 50 8.906 3.857 6.827
98 H ARG 51 H ARG 51 9.454 4.665 3.477
99 HA ARG 51 HA ARG 51 7.503 6.669 3.590
100 HB2 ARG 51 HB2 ARG 51 9.485 6.925 2.233
101 HB3 ARG 51 HB3 ARG 51 8.997 5.604 1.176
102 HG2 ARG 51 HG2 ARG 51 7.047 6.840 0.382
103 HG3 ARG 51 HG3 ARG 51 7.312 8.129 1.561
104 HD2 ARG 51 HD2 ARG 51 9.099 7.383 -0.753
105 HD3 ARG 51 HD3 ARG 51 7.872 8.629 -0.800
106 HE ARG 51 HE ARG 51 10.493 8.816 0.491
107 HH11 ARG 51 HH11 ARG 51 7.207 10.314 0.519
108 HH12 ARG 51 HH12 ARG 51 7.806 11.788 1.176
109 HH21 ARG 51 HH21 ARG 51 11.196 10.854 1.274
110 HH22 ARG 51 HH22 ARG 51 10.040 12.110 1.560
111 H GLU 52 H GLU 52 5.601 7.019 2.549
112 HA GLU 52 HA GLU 52 4.254 4.961 0.975
113 HB2 GLU 52 HB2 GLU 52 3.042 6.221 3.480
114 HB3 GLU 52 HB3 GLU 52 2.259 5.199 2.271
115 HG2 GLU 52 HG2 GLU 52 3.906 3.354 2.938
116 HG3 GLU 52 HG3 GLU 52 4.323 4.367 4.347
117 H GLY 53 H GLY 53 2.862 6.037 -0.476
118 HA2 GLY 53 HA2 GLY 53 3.160 8.956 -0.754
119 HA3 GLY 53 HA3 GLY 53 2.319 7.857 -1.856
120 H THR 54 H THR 54 0.758 9.929 -1.546
121 HA THR 54 HA THR 54 -0.694 10.144 0.896
122 HB THR 54 HB THR 54 -1.652 10.947 -1.863
123 HG1 THR 54 HG1 THR 54 0.417 11.917 -0.290
124 HG21 THR 54 HG21 THR 54 -2.825 12.745 -0.635
125 HG22 THR 54 HG22 THR 54 -2.232 12.084 0.904
126 HG23 THR 54 HG23 THR 54 -3.359 11.148 -0.098
127 HA PRO 55 HA PRO 55 -3.053 6.395 0.144
128 HB2 PRO 55 HB2 PRO 55 -4.181 6.138 2.583
129 HB3 PRO 55 HB3 PRO 55 -2.458 5.830 2.299
130 HG2 PRO 55 HG2 PRO 55 -3.789 8.279 3.463
131 HG3 PRO 55 HG3 PRO 55 -2.301 7.452 4.018
132 HD2 PRO 55 HD2 PRO 55 -2.295 9.692 2.402
133 HD3 PRO 55 HD3 PRO 55 -1.005 8.467 2.427
134 H SER 56 H SER 56 -4.982 5.902 -0.559
135 HA SER 56 HA SER 56 -7.102 7.912 -0.745
136 HB2 SER 56 HB2 SER 56 -7.296 4.912 -1.295
137 HB3 SER 56 HB3 SER 56 -8.420 6.163 -1.822
138 HG SER 56 HG SER 56 -6.257 6.959 -2.892
139 H GLY 57 H GLY 57 -7.655 8.405 1.470
140 HA2 GLY 57 HA2 GLY 57 -8.305 6.245 3.370
141 HA3 GLY 57 HA3 GLY 57 -8.298 7.982 3.673
142 H ARG 58 H ARG 58 -9.917 8.028 0.968
143 HA ARG 58 HA ARG 58 -12.552 8.061 2.313
144 HB2 ARG 58 HB2 ARG 58 -13.418 9.099 0.326
145 HB3 ARG 58 HB3 ARG 58 -11.972 9.933 0.855
146 HG2 ARG 58 HG2 ARG 58 -10.713 9.231 -0.991
147 HG3 ARG 58 HG3 ARG 58 -11.656 7.765 -1.231
148 HD2 ARG 58 HD2 ARG 58 -12.156 9.291 -3.044
149 HD3 ARG 58 HD3 ARG 58 -13.577 9.032 -2.045
150 HE ARG 58 HE ARG 58 -13.686 11.239 -1.661
151 HH11 ARG 58 HH11 ARG 58 -10.292 10.570 -2.518
152 HH12 ARG 58 HH12 ARG 58 -9.844 12.248 -2.539
153 HH21 ARG 58 HH21 ARG 58 -13.089 13.453 -1.800
154 HH22 ARG 58 HH22 ARG 58 -11.424 13.882 -2.000
155 H ALA 59 H ALA 59 -11.129 5.388 1.558
156 HA ALA 59 HA ALA 59 -13.513 4.113 0.391
157 HB1 ALA 59 HB1 ALA 59 -11.956 2.728 -1.027
158 HB2 ALA 59 HB2 ALA 59 -12.128 4.403 -1.554
159 HB3 ALA 59 HB3 ALA 59 -10.671 3.917 -0.674
160 H ASN 60 H ASN 60 -13.212 1.708 0.682
161 HA ASN 60 HA ASN 60 -12.873 1.150 3.420
162 HB2 ASN 60 HB2 ASN 60 -12.771 -1.071 1.379
163 HB3 ASN 60 HB3 ASN 60 -13.518 -1.058 2.966
164 HD21 ASN 60 HD21 ASN 60 -14.260 -1.271 -0.203
165 HD22 ASN 60 HD22 ASN 60 -15.818 -0.470 -0.193
166 H ARG 61 H ARG 61 -10.215 1.797 1.792
167 HA ARG 61 HA ARG 61 -8.618 -0.603 2.341
168 HB2 ARG 61 HB2 ARG 61 -7.589 2.186 1.684
169 HB3 ARG 61 HB3 ARG 61 -6.663 0.681 1.684
170 HG2 ARG 61 HG2 ARG 61 -6.995 1.046 -0.562
171 HG3 ARG 61 HG3 ARG 61 -8.246 -0.140 -0.177
172 HD2 ARG 61 HD2 ARG 61 -9.903 1.732 -0.029
173 HD3 ARG 61 HD3 ARG 61 -8.606 2.885 -0.330
174 HE ARG 61 HE ARG 61 -8.646 2.394 -2.565
175 HH11 ARG 61 HH11 ARG 61 -10.735 -0.124 -1.001
176 HH12 ARG 61 HH12 ARG 61 -11.842 -0.097 -2.342
177 HH21 ARG 61 HH21 ARG 61 -10.131 2.183 -4.347
178 HH22 ARG 61 HH22 ARG 61 -11.481 1.113 -4.181
179 H ARG 62 H ARG 62 -6.421 0.099 3.627
180 HA ARG 62 HA ARG 62 -7.359 0.447 6.392
181 HB2 ARG 62 HB2 ARG 62 -5.140 -0.834 4.954
182 HB3 ARG 62 HB3 ARG 62 -4.458 0.216 6.144
183 HG2 ARG 62 HG2 ARG 62 -4.779 -2.032 7.062
184 HG3 ARG 62 HG3 ARG 62 -5.721 -0.837 7.972
185 HD2 ARG 62 HD2 ARG 62 -7.789 -1.555 6.953
186 HD3 ARG 62 HD3 ARG 62 -6.935 -2.554 5.764
187 HE ARG 62 HE ARG 62 -6.119 -3.619 8.145
188 HH11 ARG 62 HH11 ARG 62 -9.472 -2.917 6.939
189 HH12 ARG 62 HH12 ARG 62 -10.041 -4.439 7.531
190 HH21 ARG 62 HH21 ARG 62 -7.061 -5.512 9.069
191 HH22 ARG 62 HH22 ARG 62 -8.777 -5.722 8.908
192 H ALA 63 H ALA 63 -6.829 2.870 4.263
193 HA ALA 63 HA ALA 63 -6.219 4.982 4.402
194 HB1 ALA 63 HB1 ALA 63 -7.536 5.018 6.490
195 HB2 ALA 63 HB2 ALA 63 -6.057 4.678 7.416
196 HB3 ALA 63 HB3 ALA 63 -6.198 6.174 6.480
197 H ASN 64 H ASN 64 -4.200 2.528 5.107
198 HA ASN 64 HA ASN 64 -1.720 4.147 4.936
199 HB2 ASN 64 HB2 ASN 64 -1.922 1.287 5.933
200 HB3 ASN 64 HB3 ASN 64 -0.494 2.323 5.919
201 HD21 ASN 64 HD21 ASN 64 -1.034 4.652 7.199
202 HD22 ASN 64 HD22 ASN 64 -1.867 4.379 8.702
203 H CYS 65 H CYS 65 -3.680 3.245 2.788
204 HA CYS 65 HA CYS 65 -1.720 1.700 1.210
205 HB2 CYS 65 HB2 CYS 65 -3.772 0.444 1.648
206 HB3 CYS 65 HB3 CYS 65 -4.708 1.711 0.870
207 H SER 66 H SER 66 -0.618 3.328 0.331
208 HA SER 66 HA SER 66 -1.604 5.682 -0.909
209 HB2 SER 66 HB2 SER 66 0.890 5.654 -1.556
210 HB3 SER 66 HB3 SER 66 0.512 5.615 0.176
211 HG SER 66 HG SER 66 2.081 3.906 -0.837
212 H CYS 67 H CYS 67 -1.614 2.640 -1.862
213 HA CYS 67 HA CYS 67 -0.757 2.634 -4.654
214 HB2 CYS 67 HB2 CYS 67 -3.040 1.095 -3.400
215 HB3 CYS 67 HB3 CYS 67 -2.484 0.808 -5.014
216 H GLY 68 H GLY 68 -2.146 2.641 -6.705
217 HA2 GLY 68 HA2 GLY 68 -4.810 3.791 -6.502
218 HA3 GLY 68 HA3 GLY 68 -3.555 4.834 -7.201
219 H ALA 69 H ALA 69 -1.941 2.618 -8.391
220 HA ALA 69 HA ALA 69 -3.776 1.897 -10.591
221 HB1 ALA 69 HB1 ALA 69 -1.831 3.238 -11.220
222 HB2 ALA 69 HB2 ALA 69 -0.735 2.070 -10.444
223 HB3 ALA 69 HB3 ALA 69 -1.665 1.604 -11.878
224 H ALA 70 H ALA 70 -3.814 0.116 -11.405
225 HA ALA 70 HA ALA 70 -4.683 -2.123 -10.861
226 HB1 ALA 70 HB1 ALA 70 -3.344 -3.364 -12.503
227 HB2 ALA 70 HB2 ALA 70 -3.688 -1.720 -13.069
228 HB3 ALA 70 HB3 ALA 70 -2.081 -2.124 -12.428
229 H CYS 71 H CYS 71 -4.287 -2.157 -8.501
230 HA CYS 71 HA CYS 71 -1.873 -3.726 -7.801
231 HB2 CYS 71 HB2 CYS 71 -2.360 -1.614 -6.688
232 HB3 CYS 71 HB3 CYS 71 -3.736 -2.400 -5.917
233 H ASN 72 H ASN 72 -2.167 -5.808 -8.135
234 HA ASN 72 HA ASN 72 -4.470 -7.251 -7.034
235 HB2 ASN 72 HB2 ASN 72 -3.491 -7.899 -9.182
236 HB3 ASN 72 HB3 ASN 72 -1.878 -8.013 -8.455
237 HD21 ASN 72 HD21 ASN 72 -5.160 -9.656 -8.398
238 HD22 ASN 72 HD22 ASN 72 -4.452 -11.202 -8.131
239 H CYS 73 H CYS 73 -1.680 -6.066 -5.546
240 HA CYS 73 HA CYS 73 -0.716 -8.108 -3.881
241 HB2 CYS 73 HB2 CYS 73 0.149 -5.838 -3.737
242 HB3 CYS 73 HB3 CYS 73 -1.431 -5.262 -3.265
243 H ALA 74 H ALA 74 -1.947 -9.666 -2.836
244 HA ALA 74 HA ALA 74 -4.525 -9.636 -2.036
245 HB1 ALA 74 HB1 ALA 74 -2.190 -10.953 -0.568
246 HB2 ALA 74 HB2 ALA 74 -3.896 -11.428 -0.466
247 HB3 ALA 74 HB3 ALA 74 -3.022 -11.598 -1.997
248 H SER 75 H SER 75 -1.764 -8.511 0.051
249 HA SER 75 HA SER 75 -3.287 -7.976 2.336
250 HB2 SER 75 HB2 SER 75 -1.132 -6.065 2.024
251 HB3 SER 75 HB3 SER 75 -1.286 -7.418 3.157
252 HG SER 75 HG SER 75 -0.253 -8.701 1.806
253 H CYS 76 H CYS 76 -3.077 -6.225 -0.603
254 HA CYS 76 HA CYS 76 -4.368 -3.760 0.540
255 HB2 CYS 76 HB2 CYS 76 -3.185 -4.227 -2.222
256 HB3 CYS 76 HB3 CYS 76 -4.052 -2.822 -1.667
257 H GLY 77 H GLY 77 -4.951 -6.643 -1.511
258 HA2 GLY 77 HA2 GLY 77 -7.342 -5.637 -2.753
259 HA3 GLY 77 HA3 GLY 77 -6.769 -7.314 -2.635
260 H SER 78 H SER 78 -6.452 -7.287 0.322
261 HA SER 78 HA SER 78 -9.231 -7.724 1.047
262 HB2 SER 78 HB2 SER 78 -7.223 -9.262 1.541
263 HB3 SER 78 HB3 SER 78 -6.759 -8.081 2.782
264 HG SER 78 HG SER 78 -8.094 -9.808 3.531
265 H ALA 79 H ALA 79 -9.964 -7.021 3.061
266 HA ALA 79 HA ALA 79 -9.057 -4.754 4.564
267 HB1 ALA 79 HB1 ALA 79 -9.818 -3.525 2.564
268 HB2 ALA 79 HB2 ALA 79 -11.386 -4.370 2.612
269 HB3 ALA 79 HB3 ALA 79 -10.943 -3.253 3.911
270 H THR 80 H THR 80 -10.674 -7.640 4.349
271 HA THR 80 HA THR 80 -12.496 -7.018 6.613
272 HB THR 80 HB THR 80 -13.991 -8.769 5.647
273 HG1 THR 80 HG1 THR 80 -13.529 -9.717 3.879
274 HG21 THR 80 HG21 THR 80 -14.381 -6.309 5.267
275 HG22 THR 80 HG22 THR 80 -15.036 -7.346 3.985
276 HG23 THR 80 HG23 THR 80 -13.531 -6.445 3.719
277 H ALA 81 H ALA 81 -11.015 -9.743 4.849
278 HA ALA 81 HA ALA 81 -10.640 -11.321 7.290
279 HB1 ALA 81 HB1 ALA 81 -11.316 -12.383 5.119
280 HB2 ALA 81 HB2 ALA 81 -9.818 -11.769 4.382
281 HB3 ALA 81 HB3 ALA 81 -9.731 -12.987 5.641
282 HA PRO 82 HA PRO 82 -6.408 -10.100 7.872
283 HB2 PRO 82 HB2 PRO 82 -5.267 -12.322 8.952
284 HB3 PRO 82 HB3 PRO 82 -6.519 -11.391 9.812
285 HG2 PRO 82 HG2 PRO 82 -6.887 -13.911 8.155
286 HG3 PRO 82 HG3 PRO 82 -7.491 -13.591 9.805
287 HD2 PRO 82 HD2 PRO 82 -9.054 -13.234 7.636
288 HD3 PRO 82 HD3 PRO 82 -9.141 -12.111 9.025
289 H GLY 83 H GLY 83 -4.304 -10.369 6.882
290 HA2 GLY 83 HA2 GLY 83 -3.570 -12.478 5.109
291 HA3 GLY 83 HA3 GLY 83 -4.228 -11.118 4.174
Start of MODEL 12
1 H1 GLY 31 H GLY 31 19.209 -0.426 -7.354
2 HA2 GLY 31 HA2 GLY 31 19.009 0.946 -4.728
3 HA3 GLY 31 HA3 GLY 31 18.905 1.744 -6.313
4 H GLU 32 H GLU 32 17.291 -0.541 -4.086
5 HA GLU 32 HA GLU 32 14.638 0.084 -5.208
6 HB2 GLU 32 HB2 GLU 32 15.825 -2.690 -4.728
7 HB3 GLU 32 HB3 GLU 32 14.111 -2.388 -4.987
8 HG2 GLU 32 HG2 GLU 32 14.511 -1.570 -7.244
9 HG3 GLU 32 HG3 GLU 32 16.262 -1.709 -7.020
10 H HIS 33 H HIS 33 13.077 -1.332 -3.461
11 HA HIS 33 HA HIS 33 14.145 -1.305 -0.797
12 HB2 HIS 33 HB2 HIS 33 13.053 1.134 -1.718
13 HB3 HIS 33 HB3 HIS 33 11.786 0.407 -0.747
14 HD2 HIS 33 HD2 HIS 33 15.545 -0.030 0.138
15 HE1 HIS 33 HE1 HIS 33 14.055 2.833 2.872
16 HE2 HIS 33 HE2 HIS 33 16.053 1.402 2.273
17 H THR 34 H THR 34 12.023 -1.685 0.808
18 HA THR 34 HA THR 34 10.743 -4.055 -0.293
19 HB THR 34 HB THR 34 9.805 -2.662 2.213
20 HG1 THR 34 HG1 THR 34 12.332 -3.932 1.909
21 HG21 THR 34 HG21 THR 34 9.862 -4.944 3.119
22 HG22 THR 34 HG22 THR 34 10.542 -5.543 1.593
23 HG23 THR 34 HG23 THR 34 8.910 -4.848 1.634
24 H THR 35 H THR 35 9.153 -3.683 -1.797
25 HA THR 35 HA THR 35 7.352 -1.346 -1.496
26 HB THR 35 HB THR 35 7.356 -1.154 -4.013
27 HG1 THR 35 HG1 THR 35 8.236 -3.173 -4.452
28 HG21 THR 35 HG21 THR 35 8.675 0.409 -2.631
29 HG22 THR 35 HG22 THR 35 9.441 0.114 -4.203
30 HG23 THR 35 HG23 THR 35 10.096 -0.642 -2.742
31 H CYS 36 H CYS 36 5.339 -1.701 -2.429
32 HA CYS 36 HA CYS 36 4.301 -4.339 -2.135
33 HB2 CYS 36 HB2 CYS 36 3.189 -1.948 -2.110
34 HB3 CYS 36 HB3 CYS 36 3.296 -2.055 -3.833
35 H GLY 37 H GLY 37 4.066 -5.980 -3.639
36 HA2 GLY 37 HA2 GLY 37 5.586 -6.390 -5.783
37 HA3 GLY 37 HA3 GLY 37 3.980 -7.072 -5.665
38 H CYS 38 H CYS 38 2.792 -4.311 -5.870
39 HA CYS 38 HA CYS 38 2.335 -4.307 -8.691
40 HB2 CYS 38 HB2 CYS 38 0.966 -2.456 -8.360
41 HB3 CYS 38 HB3 CYS 38 0.705 -3.612 -7.109
42 H GLY 39 H GLY 39 4.970 -3.169 -6.943
43 HA2 GLY 39 HA2 GLY 39 6.866 -2.122 -7.485
44 HA3 GLY 39 HA3 GLY 39 6.170 -1.534 -9.002
45 H GLU 40 H GLU 40 4.951 -1.053 -5.542
46 HA GLU 40 HA GLU 40 5.687 1.772 -5.759
47 HB2 GLU 40 HB2 GLU 40 3.676 2.239 -6.442
48 HB3 GLU 40 HB3 GLU 40 3.034 0.662 -6.183
49 HG2 GLU 40 HG2 GLU 40 3.212 2.785 -4.028
50 HG3 GLU 40 HG3 GLU 40 1.883 2.511 -5.124
51 H HIS 41 H HIS 41 6.157 2.733 -3.869
52 HA HIS 41 HA HIS 41 6.695 1.242 -1.523
53 HB2 HIS 41 HB2 HIS 41 6.761 4.090 -2.449
54 HB3 HIS 41 HB3 HIS 41 6.466 3.885 -0.736
55 HD1 HIS 41 HD1 HIS 41 9.260 2.857 -3.317
56 HD2 HIS 41 HD2 HIS 41 8.454 3.351 0.806
57 HE1 HIS 41 HE1 HIS 41 11.436 2.486 -2.071
58 H CYS 42 H CYS 42 5.217 0.488 -0.059
59 HA CYS 42 HA CYS 42 2.742 1.994 0.434
60 HB2 CYS 42 HB2 CYS 42 2.554 0.071 -1.390
61 HB3 CYS 42 HB3 CYS 42 2.438 -0.953 0.034
62 H GLY 43 H GLY 43 1.628 1.253 2.345
63 HA2 GLY 43 HA2 GLY 43 3.447 0.811 4.492
64 HA3 GLY 43 HA3 GLY 43 1.694 0.715 4.610
65 H CYS 44 H CYS 44 1.702 -1.398 2.595
66 HA CYS 44 HA CYS 44 1.772 -3.671 4.393
67 HB2 CYS 44 HB2 CYS 44 0.979 -4.908 2.481
68 HB3 CYS 44 HB3 CYS 44 0.191 -3.322 2.542
69 H ASN 45 H ASN 45 4.353 -2.128 3.034
70 HA ASN 45 HA ASN 45 6.019 -4.526 3.025
71 HB2 ASN 45 HB2 ASN 45 5.588 -2.577 0.771
72 HB3 ASN 45 HB3 ASN 45 7.204 -3.244 1.041
73 HD21 ASN 45 HD21 ASN 45 7.563 -5.589 0.816
74 HD22 ASN 45 HD22 ASN 45 6.564 -6.426 -0.252
75 HA PRO 46 HA PRO 46 7.194 -0.888 5.665
76 HB2 PRO 46 HB2 PRO 46 8.297 -2.367 7.731
77 HB3 PRO 46 HB3 PRO 46 6.563 -1.949 7.609
78 HG2 PRO 46 HG2 PRO 46 7.921 -4.515 6.787
79 HG3 PRO 46 HG3 PRO 46 6.392 -4.314 7.706
80 HD2 PRO 46 HD2 PRO 46 6.399 -4.825 5.055
81 HD3 PRO 46 HD3 PRO 46 5.193 -3.714 5.763
82 H CYS 47 H CYS 47 9.097 0.056 5.228
83 HA CYS 47 HA CYS 47 11.447 -1.583 4.449
84 HB2 CYS 47 HB2 CYS 47 12.002 0.341 2.966
85 HB3 CYS 47 HB3 CYS 47 10.632 -0.617 2.394
86 H ALA 48 H ALA 48 13.498 -0.322 4.680
87 HA ALA 48 HA ALA 48 13.868 0.697 7.225
88 HB1 ALA 48 HB1 ALA 48 16.034 1.460 6.426
89 HB2 ALA 48 HB2 ALA 48 15.638 -0.112 5.697
90 HB3 ALA 48 HB3 ALA 48 15.461 1.389 4.746
91 H CYS 49 H CYS 49 12.527 2.374 4.580
92 HA CYS 49 HA CYS 49 12.908 5.025 5.912
93 HB2 CYS 49 HB2 CYS 49 12.800 6.137 3.989
94 HB3 CYS 49 HB3 CYS 49 13.712 4.760 3.538
95 H GLY 50 H GLY 50 10.553 2.616 5.579
96 HA2 GLY 50 HA2 GLY 50 8.296 2.507 5.851
97 HA3 GLY 50 HA3 GLY 50 8.607 3.723 7.087
98 H ARG 51 H ARG 51 9.079 4.557 3.763
99 HA ARG 51 HA ARG 51 6.995 6.574 3.880
100 HB2 ARG 51 HB2 ARG 51 9.307 6.804 2.948
101 HB3 ARG 51 HB3 ARG 51 8.848 5.819 1.573
102 HG2 ARG 51 HG2 ARG 51 7.474 8.440 2.322
103 HG3 ARG 51 HG3 ARG 51 8.928 8.369 1.342
104 HD2 ARG 51 HD2 ARG 51 7.733 6.977 -0.340
105 HD3 ARG 51 HD3 ARG 51 6.235 7.213 0.560
106 HE ARG 51 HE ARG 51 7.488 9.018 -1.245
107 HH11 ARG 51 HH11 ARG 51 5.651 9.203 1.866
108 HH12 ARG 51 HH12 ARG 51 5.020 10.744 1.442
109 HH21 ARG 51 HH21 ARG 51 6.291 10.989 -1.778
110 HH22 ARG 51 HH22 ARG 51 5.153 11.604 -0.637
111 H GLU 52 H GLU 52 5.120 6.639 2.738
112 HA GLU 52 HA GLU 52 4.457 4.845 0.600
113 HB2 GLU 52 HB2 GLU 52 2.460 3.923 1.500
114 HB3 GLU 52 HB3 GLU 52 3.813 3.405 2.494
115 HG2 GLU 52 HG2 GLU 52 3.113 5.138 4.204
116 HG3 GLU 52 HG3 GLU 52 1.675 5.450 3.211
117 H GLY 53 H GLY 53 3.747 6.383 -0.783
118 HA2 GLY 53 HA2 GLY 53 3.468 9.091 -0.281
119 HA3 GLY 53 HA3 GLY 53 2.773 8.238 -1.656
120 H THR 54 H THR 54 1.399 10.362 -0.984
121 HA THR 54 HA THR 54 -0.374 10.377 1.072
122 HB THR 54 HB THR 54 -0.806 11.329 -1.762
123 HG1 THR 54 HG1 THR 54 0.502 12.417 0.515
124 HG21 THR 54 HG21 THR 54 -2.303 12.973 -0.798
125 HG22 THR 54 HG22 THR 54 -1.999 12.360 0.849
126 HG23 THR 54 HG23 THR 54 -2.879 11.375 -0.340
127 HA PRO 55 HA PRO 55 -2.839 6.808 0.074
128 HB2 PRO 55 HB2 PRO 55 -4.259 6.598 2.292
129 HB3 PRO 55 HB3 PRO 55 -2.481 6.417 2.303
130 HG2 PRO 55 HG2 PRO 55 -4.051 8.917 3.006
131 HG3 PRO 55 HG3 PRO 55 -2.802 8.086 3.998
132 HD2 PRO 55 HD2 PRO 55 -2.173 10.138 2.317
133 HD3 PRO 55 HD3 PRO 55 -1.068 8.749 2.560
134 H SER 56 H SER 56 -5.097 6.095 0.148
135 HA SER 56 HA SER 56 -6.813 7.720 -1.410
136 HB2 SER 56 HB2 SER 56 -7.638 5.259 0.181
137 HB3 SER 56 HB3 SER 56 -8.252 5.825 -1.379
138 HG SER 56 HG SER 56 -6.048 5.470 -2.163
139 H GLY 57 H GLY 57 -6.921 6.786 2.062
140 HA2 GLY 57 HA2 GLY 57 -7.974 7.567 3.860
141 HA3 GLY 57 HA3 GLY 57 -8.138 9.099 3.009
142 H ARG 58 H ARG 58 -9.968 7.652 0.956
143 HA ARG 58 HA ARG 58 -12.468 7.469 2.604
144 HB2 ARG 58 HB2 ARG 58 -12.021 8.722 -0.146
145 HB3 ARG 58 HB3 ARG 58 -13.585 8.565 0.647
146 HG2 ARG 58 HG2 ARG 58 -11.268 10.257 1.691
147 HG3 ARG 58 HG3 ARG 58 -12.654 10.838 0.766
148 HD2 ARG 58 HD2 ARG 58 -14.190 9.995 2.534
149 HD3 ARG 58 HD3 ARG 58 -12.778 9.516 3.507
150 HE ARG 58 HE ARG 58 -12.637 12.267 2.702
151 HH11 ARG 58 HH11 ARG 58 -14.782 10.328 4.750
152 HH12 ARG 58 HH12 ARG 58 -15.118 11.640 5.833
153 HH21 ARG 58 HH21 ARG 58 -12.839 13.896 4.296
154 HH22 ARG 58 HH22 ARG 58 -14.117 13.714 5.472
155 H ALA 59 H ALA 59 -11.126 5.048 2.210
156 HA ALA 59 HA ALA 59 -12.986 3.677 0.477
157 HB1 ALA 59 HB1 ALA 59 -11.339 4.374 -1.234
158 HB2 ALA 59 HB2 ALA 59 -10.018 3.769 -0.221
159 HB3 ALA 59 HB3 ALA 59 -11.195 2.637 -0.944
160 H ASN 60 H ASN 60 -12.458 1.368 0.402
161 HA ASN 60 HA ASN 60 -12.280 0.292 2.985
162 HB2 ASN 60 HB2 ASN 60 -12.548 -1.895 1.707
163 HB3 ASN 60 HB3 ASN 60 -13.734 -0.661 1.337
164 HD21 ASN 60 HD21 ASN 60 -10.897 -2.338 0.023
165 HD22 ASN 60 HD22 ASN 60 -11.213 -1.848 -1.648
166 H ARG 61 H ARG 61 -9.916 1.403 3.127
167 HA ARG 61 HA ARG 61 -7.969 -0.833 3.015
168 HB2 ARG 61 HB2 ARG 61 -7.233 2.070 2.357
169 HB3 ARG 61 HB3 ARG 61 -6.188 0.667 2.425
170 HG2 ARG 61 HG2 ARG 61 -6.395 0.910 0.154
171 HG3 ARG 61 HG3 ARG 61 -7.644 -0.290 0.506
172 HD2 ARG 61 HD2 ARG 61 -9.206 1.749 0.772
173 HD3 ARG 61 HD3 ARG 61 -7.941 2.655 -0.021
174 HE ARG 61 HE ARG 61 -9.548 0.373 -1.133
175 HH11 ARG 61 HH11 ARG 61 -7.432 3.167 -1.798
176 HH12 ARG 61 HH12 ARG 61 -7.447 2.946 -3.483
177 HH21 ARG 61 HH21 ARG 61 -9.564 0.072 -3.396
178 HH22 ARG 61 HH22 ARG 61 -8.518 0.968 -4.420
179 H ARG 62 H ARG 62 -6.013 -0.088 4.402
180 HA ARG 62 HA ARG 62 -6.968 0.626 7.038
181 HB2 ARG 62 HB2 ARG 62 -4.466 -0.437 5.686
182 HB3 ARG 62 HB3 ARG 62 -4.351 0.252 7.258
183 HG2 ARG 62 HG2 ARG 62 -6.315 -1.959 6.533
184 HG3 ARG 62 HG3 ARG 62 -4.728 -2.283 7.238
185 HD2 ARG 62 HD2 ARG 62 -6.359 -0.318 8.737
186 HD3 ARG 62 HD3 ARG 62 -7.110 -1.896 8.609
187 HE ARG 62 HE ARG 62 -4.645 -1.150 10.054
188 HH11 ARG 62 HH11 ARG 62 -6.564 -3.895 8.866
189 HH12 ARG 62 HH12 ARG 62 -6.058 -4.977 10.114
190 HH21 ARG 62 HH21 ARG 62 -4.053 -2.573 11.787
191 HH22 ARG 62 HH22 ARG 62 -4.561 -4.233 11.772
192 H ALA 63 H ALA 63 -7.166 2.618 5.248
193 HA ALA 63 HA ALA 63 -6.898 4.731 4.672
194 HB1 ALA 63 HB1 ALA 63 -6.790 6.297 6.541
195 HB2 ALA 63 HB2 ALA 63 -7.525 4.826 7.213
196 HB3 ALA 63 HB3 ALA 63 -5.821 5.172 7.505
197 H ASN 64 H ASN 64 -3.979 3.279 5.425
198 HA ASN 64 HA ASN 64 -2.441 5.673 4.549
199 HB2 ASN 64 HB2 ASN 64 -1.637 3.059 5.856
200 HB3 ASN 64 HB3 ASN 64 -0.526 4.336 5.349
201 HD21 ASN 64 HD21 ASN 64 -3.230 3.625 7.654
202 HD22 ASN 64 HD22 ASN 64 -2.809 4.924 8.721
203 H CYS 65 H CYS 65 -3.644 2.763 3.166
204 HA CYS 65 HA CYS 65 -1.377 2.198 1.438
205 HB2 CYS 65 HB2 CYS 65 -3.171 0.458 1.764
206 HB3 CYS 65 HB3 CYS 65 -4.320 1.584 1.124
207 H SER 66 H SER 66 -0.666 3.463 -0.237
208 HA SER 66 HA SER 66 -2.485 5.476 -1.374
209 HB2 SER 66 HB2 SER 66 -0.284 6.582 -1.853
210 HB3 SER 66 HB3 SER 66 -0.772 6.311 -0.153
211 HG SER 66 HG SER 66 1.198 5.749 -0.120
212 H CYS 67 H CYS 67 -1.612 2.581 -2.035
213 HA CYS 67 HA CYS 67 -0.735 2.498 -4.800
214 HB2 CYS 67 HB2 CYS 67 -2.990 0.814 -3.631
215 HB3 CYS 67 HB3 CYS 67 -2.329 0.512 -5.210
216 H GLY 68 H GLY 68 -1.932 2.109 -6.886
217 HA2 GLY 68 HA2 GLY 68 -4.298 3.789 -7.212
218 HA3 GLY 68 HA3 GLY 68 -3.074 3.351 -8.423
219 H ALA 69 H ALA 69 -5.306 2.637 -9.448
220 HA ALA 69 HA ALA 69 -6.557 0.237 -8.501
221 HB1 ALA 69 HB1 ALA 69 -7.625 0.266 -10.708
222 HB2 ALA 69 HB2 ALA 69 -7.609 1.891 -9.981
223 HB3 ALA 69 HB3 ALA 69 -6.446 1.483 -11.267
224 H ALA 70 H ALA 70 -3.693 0.765 -10.499
225 HA ALA 70 HA ALA 70 -3.612 -1.872 -11.650
226 HB1 ALA 70 HB1 ALA 70 -1.467 0.280 -11.401
227 HB2 ALA 70 HB2 ALA 70 -1.378 -1.179 -12.417
228 HB3 ALA 70 HB3 ALA 70 -2.600 0.045 -12.755
229 H CYS 71 H CYS 71 -4.036 -2.574 -9.083
230 HA CYS 71 HA CYS 71 -1.503 -3.861 -8.375
231 HB2 CYS 71 HB2 CYS 71 -1.413 -1.781 -7.117
232 HB3 CYS 71 HB3 CYS 71 -3.024 -2.090 -6.436
233 H ASN 72 H ASN 72 -1.858 -5.877 -7.851
234 HA ASN 72 HA ASN 72 -4.528 -6.735 -6.824
235 HB2 ASN 72 HB2 ASN 72 -2.444 -8.189 -8.504
236 HB3 ASN 72 HB3 ASN 72 -3.844 -8.956 -7.761
237 HD21 ASN 72 HD21 ASN 72 -2.924 -6.434 -10.154
238 HD22 ASN 72 HD22 ASN 72 -4.451 -6.446 -10.977
239 H CYS 73 H CYS 73 -1.583 -6.022 -5.455
240 HA CYS 73 HA CYS 73 -0.818 -8.252 -3.924
241 HB2 CYS 73 HB2 CYS 73 0.424 -6.319 -3.482
242 HB3 CYS 73 HB3 CYS 73 -1.049 -5.339 -3.357
243 H ALA 74 H ALA 74 -2.070 -9.674 -2.764
244 HA ALA 74 HA ALA 74 -4.697 -9.391 -1.983
245 HB1 ALA 74 HB1 ALA 74 -2.487 -10.975 -0.607
246 HB2 ALA 74 HB2 ALA 74 -4.231 -11.249 -0.417
247 HB3 ALA 74 HB3 ALA 74 -3.467 -11.514 -1.994
248 H SER 75 H SER 75 -1.768 -8.531 -0.050
249 HA SER 75 HA SER 75 -3.029 -7.835 2.344
250 HB2 SER 75 HB2 SER 75 -0.730 -6.156 1.466
251 HB3 SER 75 HB3 SER 75 -0.961 -7.035 2.970
252 HG SER 75 HG SER 75 0.721 -7.837 1.511
253 H CYS 76 H CYS 76 -3.196 -6.199 -0.686
254 HA CYS 76 HA CYS 76 -4.194 -3.714 0.623
255 HB2 CYS 76 HB2 CYS 76 -2.951 -4.109 -2.100
256 HB3 CYS 76 HB3 CYS 76 -3.797 -2.680 -1.569
257 H GLY 77 H GLY 77 -5.089 -6.516 -1.284
258 HA2 GLY 77 HA2 GLY 77 -7.242 -5.091 -2.686
259 HA3 GLY 77 HA3 GLY 77 -6.932 -6.846 -2.639
260 H SER 78 H SER 78 -7.000 -7.761 -0.272
261 HA SER 78 HA SER 78 -9.658 -7.295 0.793
262 HB2 SER 78 HB2 SER 78 -7.485 -9.072 1.948
263 HB3 SER 78 HB3 SER 78 -9.231 -9.324 1.936
264 HG SER 78 HG SER 78 -9.084 -9.747 -0.288
265 H ALA 79 H ALA 79 -10.071 -5.891 2.538
266 HA ALA 79 HA ALA 79 -8.096 -5.541 4.633
267 HB1 ALA 79 HB1 ALA 79 -8.830 -3.157 2.920
268 HB2 ALA 79 HB2 ALA 79 -7.884 -3.108 4.402
269 HB3 ALA 79 HB3 ALA 79 -7.225 -3.933 2.972
270 H THR 80 H THR 80 -10.205 -6.661 5.378
271 HA THR 80 HA THR 80 -12.105 -4.614 6.364
272 HB THR 80 HB THR 80 -13.554 -6.789 6.598
273 HG1 THR 80 HG1 THR 80 -13.098 -8.185 4.778
274 HG21 THR 80 HG21 THR 80 -13.008 -5.539 3.863
275 HG22 THR 80 HG22 THR 80 -14.055 -4.854 5.125
276 HG23 THR 80 HG23 THR 80 -14.490 -6.392 4.363
277 H ALA 81 H ALA 81 -11.373 -4.085 8.380
278 HA ALA 81 HA ALA 81 -10.828 -6.212 10.320
279 HB1 ALA 81 HB1 ALA 81 -8.699 -5.007 11.008
280 HB2 ALA 81 HB2 ALA 81 -8.592 -5.824 9.442
281 HB3 ALA 81 HB3 ALA 81 -8.830 -4.039 9.550
282 HA PRO 82 HA PRO 82 -12.841 -3.285 12.889
283 HB2 PRO 82 HB2 PRO 82 -11.531 -3.544 15.334
284 HB3 PRO 82 HB3 PRO 82 -12.726 -4.688 14.676
285 HG2 PRO 82 HG2 PRO 82 -9.718 -4.890 14.581
286 HG3 PRO 82 HG3 PRO 82 -10.912 -6.181 14.946
287 HD2 PRO 82 HD2 PRO 82 -9.795 -5.965 12.519
288 HD3 PRO 82 HD3 PRO 82 -11.502 -6.435 12.707
289 H GLY 83 H GLY 83 -12.711 -1.231 13.615
290 HA2 GLY 83 HA2 GLY 83 -11.560 0.686 14.522
291 HA3 GLY 83 HA3 GLY 83 -10.090 0.184 13.660
Start of MODEL 13
1 H1 GLY 31 H GLY 31 18.662 1.527 -4.786
2 HA2 GLY 31 HA2 GLY 31 17.523 0.322 -7.240
3 HA3 GLY 31 HA3 GLY 31 18.307 -0.568 -5.932
4 H GLU 32 H GLU 32 16.117 -1.658 -6.348
5 HA GLU 32 HA GLU 32 13.681 -0.525 -5.496
6 HB2 GLU 32 HB2 GLU 32 14.697 -3.390 -5.603
7 HB3 GLU 32 HB3 GLU 32 13.022 -2.963 -5.206
8 HG2 GLU 32 HG2 GLU 32 12.803 -1.757 -7.362
9 HG3 GLU 32 HG3 GLU 32 14.457 -2.181 -7.786
10 H HIS 33 H HIS 33 12.636 -0.428 -3.649
11 HA HIS 33 HA HIS 33 14.038 -0.981 -1.089
12 HB2 HIS 33 HB2 HIS 33 13.104 1.441 -2.056
13 HB3 HIS 33 HB3 HIS 33 11.753 0.864 -1.084
14 HD2 HIS 33 HD2 HIS 33 15.555 0.415 -0.335
15 HE1 HIS 33 HE1 HIS 33 14.054 2.952 2.702
16 HE2 HIS 33 HE2 HIS 33 16.075 1.664 1.898
17 H THR 34 H THR 34 12.021 -1.203 0.819
18 HA THR 34 HA THR 34 10.595 -3.514 -0.159
19 HB THR 34 HB THR 34 9.602 -2.240 2.306
20 HG1 THR 34 HG1 THR 34 12.311 -3.130 2.425
21 HG21 THR 34 HG21 THR 34 9.187 -4.612 1.655
22 HG22 THR 34 HG22 THR 34 9.982 -4.466 3.234
23 HG23 THR 34 HG23 THR 34 10.925 -4.944 1.803
24 H THR 35 H THR 35 8.891 -3.287 -1.426
25 HA THR 35 HA THR 35 7.067 -0.965 -1.264
26 HB THR 35 HB THR 35 7.074 -0.881 -3.795
27 HG1 THR 35 HG1 THR 35 8.016 -2.891 -4.187
28 HG21 THR 35 HG21 THR 35 8.341 0.719 -2.357
29 HG22 THR 35 HG22 THR 35 8.959 0.554 -4.013
30 HG23 THR 35 HG23 THR 35 9.808 -0.219 -2.654
31 H CYS 36 H CYS 36 5.070 -1.392 -2.475
32 HA CYS 36 HA CYS 36 4.068 -4.015 -2.026
33 HB2 CYS 36 HB2 CYS 36 2.898 -1.685 -2.317
34 HB3 CYS 36 HB3 CYS 36 3.195 -1.909 -4.019
35 H GLY 37 H GLY 37 3.928 -5.777 -3.474
36 HA2 GLY 37 HA2 GLY 37 5.685 -6.140 -5.514
37 HA3 GLY 37 HA3 GLY 37 4.130 -6.977 -5.413
38 H CYS 38 H CYS 38 2.583 -4.472 -5.762
39 HA CYS 38 HA CYS 38 2.360 -4.533 -8.606
40 HB2 CYS 38 HB2 CYS 38 0.782 -2.886 -8.496
41 HB3 CYS 38 HB3 CYS 38 0.551 -3.798 -7.076
42 H GLY 39 H GLY 39 4.677 -2.950 -6.656
43 HA2 GLY 39 HA2 GLY 39 6.624 -2.206 -7.539
44 HA3 GLY 39 HA3 GLY 39 5.788 -1.407 -8.884
45 H GLU 40 H GLU 40 4.231 -0.600 -5.787
46 HA GLU 40 HA GLU 40 5.937 1.802 -5.680
47 HB2 GLU 40 HB2 GLU 40 4.196 3.081 -5.843
48 HB3 GLU 40 HB3 GLU 40 3.430 1.744 -6.669
49 HG2 GLU 40 HG2 GLU 40 3.008 2.359 -3.695
50 HG3 GLU 40 HG3 GLU 40 2.059 3.018 -4.971
51 H HIS 41 H HIS 41 6.053 2.905 -3.838
52 HA HIS 41 HA HIS 41 6.351 1.476 -1.352
53 HB2 HIS 41 HB2 HIS 41 6.533 4.347 -2.277
54 HB3 HIS 41 HB3 HIS 41 6.318 4.042 -0.564
55 HD1 HIS 41 HD1 HIS 41 8.938 3.232 -3.342
56 HD2 HIS 41 HD2 HIS 41 8.336 3.315 0.837
57 HE1 HIS 41 HE1 HIS 41 11.238 2.798 -2.215
58 H CYS 42 H CYS 42 4.656 0.754 -0.243
59 HA CYS 42 HA CYS 42 2.189 2.340 0.061
60 HB2 CYS 42 HB2 CYS 42 1.823 0.748 -1.751
61 HB3 CYS 42 HB3 CYS 42 2.318 -0.590 -0.695
62 H GLY 43 H GLY 43 1.072 1.610 2.123
63 HA2 GLY 43 HA2 GLY 43 3.037 1.285 4.094
64 HA3 GLY 43 HA3 GLY 43 1.295 1.117 4.364
65 H CYS 44 H CYS 44 1.448 -1.094 2.366
66 HA CYS 44 HA CYS 44 1.623 -3.295 4.117
67 HB2 CYS 44 HB2 CYS 44 1.000 -4.586 2.217
68 HB3 CYS 44 HB3 CYS 44 0.034 -3.071 2.329
69 H ASN 45 H ASN 45 4.231 -1.677 3.023
70 HA ASN 45 HA ASN 45 5.827 -4.074 3.189
71 HB2 ASN 45 HB2 ASN 45 5.701 -2.335 0.744
72 HB3 ASN 45 HB3 ASN 45 7.256 -3.009 1.242
73 HD21 ASN 45 HD21 ASN 45 7.498 -5.395 1.356
74 HD22 ASN 45 HD22 ASN 45 6.660 -6.218 0.083
75 HA PRO 46 HA PRO 46 7.127 -0.395 5.676
76 HB2 PRO 46 HB2 PRO 46 8.119 -1.758 7.831
77 HB3 PRO 46 HB3 PRO 46 6.386 -1.348 7.618
78 HG2 PRO 46 HG2 PRO 46 7.780 -3.956 6.982
79 HG3 PRO 46 HG3 PRO 46 6.232 -3.715 7.855
80 HD2 PRO 46 HD2 PRO 46 6.297 -4.351 5.222
81 HD3 PRO 46 HD3 PRO 46 5.077 -3.213 5.842
82 H CYS 47 H CYS 47 9.053 0.516 5.217
83 HA CYS 47 HA CYS 47 11.459 -1.179 4.736
84 HB2 CYS 47 HB2 CYS 47 12.075 0.716 3.185
85 HB3 CYS 47 HB3 CYS 47 10.725 -0.276 2.613
86 H ALA 48 H ALA 48 13.479 0.079 5.021
87 HA ALA 48 HA ALA 48 13.668 1.374 7.500
88 HB1 ALA 48 HB1 ALA 48 15.506 0.252 6.346
89 HB2 ALA 48 HB2 ALA 48 15.504 1.512 5.089
90 HB3 ALA 48 HB3 ALA 48 15.969 1.898 6.773
91 H CYS 49 H CYS 49 12.322 2.733 4.753
92 HA CYS 49 HA CYS 49 13.049 5.507 5.608
93 HB2 CYS 49 HB2 CYS 49 12.978 6.371 3.592
94 HB3 CYS 49 HB3 CYS 49 13.694 4.829 3.264
95 H GLY 50 H GLY 50 10.572 3.150 5.618
96 HA2 GLY 50 HA2 GLY 50 8.438 3.195 6.308
97 HA3 GLY 50 HA3 GLY 50 8.797 4.754 7.039
98 H ARG 51 H ARG 51 9.203 4.973 3.699
99 HA ARG 51 HA ARG 51 6.969 6.742 3.449
100 HB2 ARG 51 HB2 ARG 51 9.080 6.920 2.113
101 HB3 ARG 51 HB3 ARG 51 8.595 5.502 1.191
102 HG2 ARG 51 HG2 ARG 51 6.454 6.744 0.572
103 HG3 ARG 51 HG3 ARG 51 7.138 8.171 1.367
104 HD2 ARG 51 HD2 ARG 51 8.999 8.166 -0.278
105 HD3 ARG 51 HD3 ARG 51 8.324 6.720 -1.031
106 HE ARG 51 HE ARG 51 7.046 9.430 -0.921
107 HH11 ARG 51 HH11 ARG 51 7.545 6.512 -2.875
108 HH12 ARG 51 HH12 ARG 51 5.933 6.481 -3.514
109 HH21 ARG 51 HH21 ARG 51 5.086 9.673 -2.105
110 HH22 ARG 51 HH22 ARG 51 4.795 8.663 -3.458
111 H GLU 52 H GLU 52 4.919 6.359 2.838
112 HA GLU 52 HA GLU 52 4.152 3.685 1.783
113 HB2 GLU 52 HB2 GLU 52 2.440 5.449 3.552
114 HB3 GLU 52 HB3 GLU 52 2.123 3.790 3.064
115 HG2 GLU 52 HG2 GLU 52 4.198 3.107 4.367
116 HG3 GLU 52 HG3 GLU 52 4.240 4.747 5.012
117 H GLY 53 H GLY 53 4.220 6.963 1.218
118 HA2 GLY 53 HA2 GLY 53 3.568 8.236 -0.589
119 HA3 GLY 53 HA3 GLY 53 2.661 6.849 -1.250
120 H THR 54 H THR 54 1.400 9.396 -1.292
121 HA THR 54 HA THR 54 -0.138 9.933 1.057
122 HB THR 54 HB THR 54 -0.896 10.600 -1.812
123 HG1 THR 54 HG1 THR 54 1.183 11.621 -0.228
124 HG21 THR 54 HG21 THR 54 -1.894 12.584 -0.838
125 HG22 THR 54 HG22 THR 54 -1.297 12.152 0.785
126 HG23 THR 54 HG23 THR 54 -2.542 11.167 -0.021
127 HA PRO 55 HA PRO 55 -2.865 6.451 0.165
128 HB2 PRO 55 HB2 PRO 55 -3.785 6.013 2.614
129 HB3 PRO 55 HB3 PRO 55 -2.070 5.660 2.229
130 HG2 PRO 55 HG2 PRO 55 -3.244 8.048 3.669
131 HG3 PRO 55 HG3 PRO 55 -1.772 7.114 4.081
132 HD2 PRO 55 HD2 PRO 55 -1.914 9.510 2.605
133 HD3 PRO 55 HD3 PRO 55 -0.557 8.365 2.607
134 H SER 56 H SER 56 -5.177 6.283 -0.159
135 HA SER 56 HA SER 56 -6.598 8.613 -0.562
136 HB2 SER 56 HB2 SER 56 -7.974 6.024 0.190
137 HB3 SER 56 HB3 SER 56 -8.437 7.219 -1.027
138 HG SER 56 HG SER 56 -6.608 6.536 -2.258
139 H GLY 57 H GLY 57 -6.548 6.526 2.311
140 HA2 GLY 57 HA2 GLY 57 -7.091 6.877 4.501
141 HA3 GLY 57 HA3 GLY 57 -7.354 8.584 4.141
142 H ARG 58 H ARG 58 -9.397 8.749 2.533
143 HA ARG 58 HA ARG 58 -11.684 7.656 4.119
144 HB2 ARG 58 HB2 ARG 58 -11.519 9.943 2.115
145 HB3 ARG 58 HB3 ARG 58 -13.004 9.388 2.888
146 HG2 ARG 58 HG2 ARG 58 -12.063 9.896 5.115
147 HG3 ARG 58 HG3 ARG 58 -10.576 10.508 4.349
148 HD2 ARG 58 HD2 ARG 58 -11.878 12.173 3.104
149 HD3 ARG 58 HD3 ARG 58 -13.384 11.565 3.795
150 HE ARG 58 HE ARG 58 -12.501 12.156 6.022
151 HH11 ARG 58 HH11 ARG 58 -11.277 14.001 3.171
152 HH12 ARG 58 HH12 ARG 58 -11.081 15.458 4.070
153 HH21 ARG 58 HH21 ARG 58 -12.131 14.051 7.169
154 HH22 ARG 58 HH22 ARG 58 -11.433 15.446 6.429
155 H ALA 59 H ALA 59 -11.009 5.514 3.018
156 HA ALA 59 HA ALA 59 -12.941 4.924 1.012
157 HB1 ALA 59 HB1 ALA 59 -11.405 4.117 -0.714
158 HB2 ALA 59 HB2 ALA 59 -11.194 5.854 -0.507
159 HB3 ALA 59 HB3 ALA 59 -10.003 4.731 0.202
160 H ASN 60 H ASN 60 -13.007 2.658 0.702
161 HA ASN 60 HA ASN 60 -12.810 0.957 2.771
162 HB2 ASN 60 HB2 ASN 60 -13.051 -0.886 1.129
163 HB3 ASN 60 HB3 ASN 60 -14.087 0.467 0.754
164 HD21 ASN 60 HD21 ASN 60 -13.597 1.775 -1.101
165 HD22 ASN 60 HD22 ASN 60 -12.591 1.146 -2.394
166 H ARG 61 H ARG 61 -9.918 1.948 1.343
167 HA ARG 61 HA ARG 61 -8.463 -0.549 1.501
168 HB2 ARG 61 HB2 ARG 61 -7.460 2.330 1.408
169 HB3 ARG 61 HB3 ARG 61 -6.413 0.940 1.502
170 HG2 ARG 61 HG2 ARG 61 -6.426 1.688 -0.717
171 HG3 ARG 61 HG3 ARG 61 -7.061 0.072 -0.581
172 HD2 ARG 61 HD2 ARG 61 -8.414 0.932 -2.179
173 HD3 ARG 61 HD3 ARG 61 -9.422 1.238 -0.778
174 HE ARG 61 HE ARG 61 -7.794 3.545 -1.246
175 HH11 ARG 61 HH11 ARG 61 -10.372 1.756 -3.030
176 HH12 ARG 61 HH12 ARG 61 -11.124 3.245 -3.530
177 HH21 ARG 61 HH21 ARG 61 -8.633 5.410 -2.303
178 HH22 ARG 61 HH22 ARG 61 -10.053 5.285 -3.253
179 H ARG 62 H ARG 62 -6.343 -0.340 2.916
180 HA ARG 62 HA ARG 62 -7.207 -0.951 5.577
181 HB2 ARG 62 HB2 ARG 62 -4.909 -1.422 3.940
182 HB3 ARG 62 HB3 ARG 62 -4.319 -0.680 5.420
183 HG2 ARG 62 HG2 ARG 62 -5.479 -2.346 6.804
184 HG3 ARG 62 HG3 ARG 62 -6.344 -2.989 5.385
185 HD2 ARG 62 HD2 ARG 62 -4.275 -3.690 4.364
186 HD3 ARG 62 HD3 ARG 62 -3.345 -3.084 5.749
187 HE ARG 62 HE ARG 62 -5.079 -5.493 5.627
188 HH11 ARG 62 HH11 ARG 62 -3.243 -3.333 7.837
189 HH12 ARG 62 HH12 ARG 62 -3.129 -4.523 9.045
190 HH21 ARG 62 HH21 ARG 62 -4.889 -7.019 7.270
191 HH22 ARG 62 HH22 ARG 62 -3.968 -6.686 8.698
192 H ALA 63 H ALA 63 -6.079 2.022 4.313
193 HA ALA 63 HA ALA 63 -6.444 4.037 5.449
194 HB1 ALA 63 HB1 ALA 63 -5.341 4.481 7.589
195 HB2 ALA 63 HB2 ALA 63 -6.554 3.169 7.716
196 HB3 ALA 63 HB3 ALA 63 -4.797 2.801 7.655
197 H ASN 64 H ASN 64 -3.691 2.080 5.397
198 HA ASN 64 HA ASN 64 -1.827 4.308 4.669
199 HB2 ASN 64 HB2 ASN 64 -1.213 1.428 5.445
200 HB3 ASN 64 HB3 ASN 64 -0.048 2.744 5.265
201 HD21 ASN 64 HD21 ASN 64 0.015 4.406 6.851
202 HD22 ASN 64 HD22 ASN 64 -0.876 4.297 8.376
203 H CYS 65 H CYS 65 -3.738 3.009 2.631
204 HA CYS 65 HA CYS 65 -1.639 1.854 0.843
205 HB2 CYS 65 HB2 CYS 65 -3.476 0.404 1.522
206 HB3 CYS 65 HB3 CYS 65 -4.571 1.586 0.847
207 H SER 66 H SER 66 -0.735 3.631 -0.050
208 HA SER 66 HA SER 66 -2.163 5.614 -1.567
209 HB2 SER 66 HB2 SER 66 0.029 5.888 -0.337
210 HB3 SER 66 HB3 SER 66 0.797 4.877 -1.584
211 HG SER 66 HG SER 66 -0.537 7.357 -1.979
212 H CYS 67 H CYS 67 -2.229 2.677 -2.266
213 HA CYS 67 HA CYS 67 -1.042 2.456 -5.015
214 HB2 CYS 67 HB2 CYS 67 -3.113 0.899 -3.476
215 HB3 CYS 67 HB3 CYS 67 -2.780 0.503 -5.130
216 H GLY 68 H GLY 68 -2.837 1.819 -6.946
217 HA2 GLY 68 HA2 GLY 68 -5.358 3.052 -6.788
218 HA3 GLY 68 HA3 GLY 68 -4.199 4.259 -7.351
219 H ALA 69 H ALA 69 -2.623 1.742 -8.500
220 HA ALA 69 HA ALA 69 -4.298 1.161 -10.851
221 HB1 ALA 69 HB1 ALA 69 -2.615 2.984 -11.379
222 HB2 ALA 69 HB2 ALA 69 -1.322 1.930 -10.762
223 HB3 ALA 69 HB3 ALA 69 -2.237 1.466 -12.197
224 H ALA 70 H ALA 70 -3.170 -0.434 -12.044
225 HA ALA 70 HA ALA 70 -3.631 -2.881 -11.707
226 HB1 ALA 70 HB1 ALA 70 -2.215 -1.975 -13.525
227 HB2 ALA 70 HB2 ALA 70 -0.800 -2.098 -12.458
228 HB3 ALA 70 HB3 ALA 70 -1.685 -3.562 -12.930
229 H CYS 71 H CYS 71 -3.866 -3.146 -9.298
230 HA CYS 71 HA CYS 71 -1.456 -4.622 -8.310
231 HB2 CYS 71 HB2 CYS 71 -1.454 -2.457 -7.514
232 HB3 CYS 71 HB3 CYS 71 -3.123 -2.506 -6.953
233 H ASN 72 H ASN 72 -1.844 -6.590 -7.990
234 HA ASN 72 HA ASN 72 -4.394 -7.674 -7.089
235 HB2 ASN 72 HB2 ASN 72 -3.288 -9.828 -7.563
236 HB3 ASN 72 HB3 ASN 72 -3.397 -8.744 -8.944
237 HD21 ASN 72 HD21 ASN 72 -1.631 -10.196 -9.819
238 HD22 ASN 72 HD22 ASN 72 -0.020 -9.693 -9.418
239 H CYS 73 H CYS 73 -1.534 -6.651 -5.629
240 HA CYS 73 HA CYS 73 -0.771 -8.531 -3.697
241 HB2 CYS 73 HB2 CYS 73 0.172 -6.316 -3.778
242 HB3 CYS 73 HB3 CYS 73 -1.331 -5.586 -3.394
243 H ALA 74 H ALA 74 -2.124 -9.937 -2.416
244 HA ALA 74 HA ALA 74 -4.717 -9.484 -1.662
245 HB1 ALA 74 HB1 ALA 74 -3.667 -11.648 -1.381
246 HB2 ALA 74 HB2 ALA 74 -2.621 -11.022 -0.076
247 HB3 ALA 74 HB3 ALA 74 -4.371 -11.127 0.153
248 H SER 75 H SER 75 -1.829 -8.445 0.248
249 HA SER 75 HA SER 75 -3.211 -7.458 2.516
250 HB2 SER 75 HB2 SER 75 -0.886 -7.690 2.698
251 HB3 SER 75 HB3 SER 75 -0.593 -6.832 1.179
252 HG SER 75 HG SER 75 -1.181 -5.840 3.730
253 H CYS 76 H CYS 76 -3.239 -6.249 -0.679
254 HA CYS 76 HA CYS 76 -4.284 -3.552 0.192
255 HB2 CYS 76 HB2 CYS 76 -3.163 -4.588 -2.417
256 HB3 CYS 76 HB3 CYS 76 -4.065 -3.105 -2.182
257 H GLY 77 H GLY 77 -5.110 -6.598 -1.666
258 HA2 GLY 77 HA2 GLY 77 -7.499 -5.458 -2.813
259 HA3 GLY 77 HA3 GLY 77 -7.064 -7.174 -2.685
260 H SER 78 H SER 78 -6.590 -7.051 0.189
261 HA SER 78 HA SER 78 -9.046 -7.800 1.265
262 HB2 SER 78 HB2 SER 78 -6.820 -8.542 1.972
263 HB3 SER 78 HB3 SER 78 -6.401 -6.915 2.506
264 HG SER 78 HG SER 78 -8.607 -8.321 3.620
265 H ALA 79 H ALA 79 -10.679 -6.645 1.972
266 HA ALA 79 HA ALA 79 -10.649 -4.254 3.475
267 HB1 ALA 79 HB1 ALA 79 -11.476 -4.161 0.518
268 HB2 ALA 79 HB2 ALA 79 -11.973 -2.956 1.717
269 HB3 ALA 79 HB3 ALA 79 -10.255 -3.141 1.310
270 H THR 80 H THR 80 -12.965 -3.907 4.131
271 HA THR 80 HA THR 80 -14.853 -6.023 3.237
272 HB THR 80 HB THR 80 -15.569 -5.922 5.785
273 HG1 THR 80 HG1 THR 80 -13.053 -6.055 6.588
274 HG21 THR 80 HG21 THR 80 -13.179 -7.539 4.800
275 HG22 THR 80 HG22 THR 80 -14.888 -7.933 4.514
276 HG23 THR 80 HG23 THR 80 -14.263 -7.944 6.157
277 H ALA 81 H ALA 81 -14.376 -2.769 3.193
278 HA ALA 81 HA ALA 81 -17.162 -2.021 3.850
279 HB1 ALA 81 HB1 ALA 81 -16.320 0.278 3.240
280 HB2 ALA 81 HB2 ALA 81 -15.419 -0.468 4.559
281 HB3 ALA 81 HB3 ALA 81 -14.729 -0.429 2.926
282 HA PRO 82 HA PRO 82 -18.419 -2.385 -0.407
283 HB2 PRO 82 HB2 PRO 82 -20.427 -0.583 -0.628
284 HB3 PRO 82 HB3 PRO 82 -20.560 -2.048 0.388
285 HG2 PRO 82 HG2 PRO 82 -19.765 0.753 1.274
286 HG3 PRO 82 HG3 PRO 82 -21.022 -0.301 1.991
287 HD2 PRO 82 HD2 PRO 82 -18.542 -0.173 3.036
288 HD3 PRO 82 HD3 PRO 82 -19.393 -1.742 2.930
289 H GLY 83 H GLY 83 -17.111 0.673 0.814
290 HA2 GLY 83 HA2 GLY 83 -15.799 1.264 -1.622
291 HA3 GLY 83 HA3 GLY 83 -17.198 2.331 -1.362
Start of MODEL 14
1 H1 GLY 31 H GLY 31 19.468 -1.682 -7.265
2 HA2 GLY 31 HA2 GLY 31 18.791 0.476 -5.353
3 HA3 GLY 31 HA3 GLY 31 18.939 0.647 -7.117
4 H GLU 32 H GLU 32 16.947 -0.371 -4.434
5 HA GLU 32 HA GLU 32 14.489 -0.290 -5.841
6 HB2 GLU 32 HB2 GLU 32 13.784 -2.552 -5.268
7 HB3 GLU 32 HB3 GLU 32 15.174 -2.684 -6.334
8 HG2 GLU 32 HG2 GLU 32 16.574 -3.487 -4.645
9 HG3 GLU 32 HG3 GLU 32 15.696 -2.746 -3.338
10 H HIS 33 H HIS 33 12.876 -1.205 -3.831
11 HA HIS 33 HA HIS 33 13.918 -0.779 -1.206
12 HB2 HIS 33 HB2 HIS 33 13.037 1.565 -2.445
13 HB3 HIS 33 HB3 HIS 33 11.665 0.999 -1.483
14 HD2 HIS 33 HD2 HIS 33 15.503 0.895 -0.768
15 HE1 HIS 33 HE1 HIS 33 13.729 2.876 2.525
16 HE2 HIS 33 HE2 HIS 33 15.935 2.129 1.527
17 H THR 34 H THR 34 12.044 -1.345 0.427
18 HA THR 34 HA THR 34 10.519 -3.484 -0.819
19 HB THR 34 HB THR 34 9.840 -2.584 1.930
20 HG1 THR 34 HG1 THR 34 12.442 -3.370 1.121
21 HG21 THR 34 HG21 THR 34 10.022 -4.926 2.427
22 HG22 THR 34 HG22 THR 34 10.889 -5.244 0.920
23 HG23 THR 34 HG23 THR 34 9.180 -4.790 0.868
24 H THR 35 H THR 35 8.944 -2.956 -2.125
25 HA THR 35 HA THR 35 7.141 -0.691 -1.471
26 HB THR 35 HB THR 35 6.794 -0.272 -3.820
27 HG1 THR 35 HG1 THR 35 8.215 -2.560 -4.352
28 HG21 THR 35 HG21 THR 35 8.834 0.780 -4.472
29 HG22 THR 35 HG22 THR 35 9.816 -0.369 -3.583
30 HG23 THR 35 HG23 THR 35 8.817 0.786 -2.682
31 H CYS 36 H CYS 36 5.004 -1.082 -2.567
32 HA CYS 36 HA CYS 36 4.095 -3.745 -1.962
33 HB2 CYS 36 HB2 CYS 36 2.882 -1.445 -2.276
34 HB3 CYS 36 HB3 CYS 36 3.011 -1.713 -3.940
35 H GLY 37 H GLY 37 4.339 -5.501 -3.311
36 HA2 GLY 37 HA2 GLY 37 5.998 -5.758 -5.418
37 HA3 GLY 37 HA3 GLY 37 4.579 -6.780 -5.219
38 H CYS 38 H CYS 38 2.729 -4.368 -5.656
39 HA CYS 38 HA CYS 38 2.346 -4.719 -8.440
40 HB2 CYS 38 HB2 CYS 38 0.819 -2.873 -8.355
41 HB3 CYS 38 HB3 CYS 38 0.639 -3.882 -6.970
42 H GLY 39 H GLY 39 4.782 -2.736 -6.711
43 HA2 GLY 39 HA2 GLY 39 6.531 -1.820 -7.598
44 HA3 GLY 39 HA3 GLY 39 5.722 -1.501 -9.160
45 H GLU 40 H GLU 40 4.889 -0.775 -5.651
46 HA GLU 40 HA GLU 40 5.335 2.044 -6.115
47 HB2 GLU 40 HB2 GLU 40 3.184 1.836 -7.268
48 HB3 GLU 40 HB3 GLU 40 2.468 1.044 -5.852
49 HG2 GLU 40 HG2 GLU 40 2.588 3.014 -4.548
50 HG3 GLU 40 HG3 GLU 40 3.748 3.781 -5.645
51 H HIS 41 H HIS 41 6.050 2.762 -4.219
52 HA HIS 41 HA HIS 41 6.238 1.407 -1.824
53 HB2 HIS 41 HB2 HIS 41 6.468 4.232 -2.763
54 HB3 HIS 41 HB3 HIS 41 6.099 4.052 -1.057
55 HD1 HIS 41 HD1 HIS 41 9.064 3.646 -3.431
56 HD2 HIS 41 HD2 HIS 41 7.877 2.798 0.544
57 HE1 HIS 41 HE1 HIS 41 11.183 3.117 -2.082
58 H CYS 42 H CYS 42 4.865 0.973 -0.153
59 HA CYS 42 HA CYS 42 2.491 2.539 0.326
60 HB2 CYS 42 HB2 CYS 42 1.870 1.133 -1.590
61 HB3 CYS 42 HB3 CYS 42 2.222 -0.296 -0.676
62 H GLY 43 H GLY 43 1.518 1.856 2.457
63 HA2 GLY 43 HA2 GLY 43 3.425 1.287 4.354
64 HA3 GLY 43 HA3 GLY 43 1.686 1.224 4.602
65 H CYS 44 H CYS 44 1.644 -0.959 2.508
66 HA CYS 44 HA CYS 44 1.729 -3.145 4.359
67 HB2 CYS 44 HB2 CYS 44 0.583 -4.382 2.615
68 HB3 CYS 44 HB3 CYS 44 0.042 -2.689 2.526
69 H ASN 45 H ASN 45 4.262 -1.710 2.934
70 HA ASN 45 HA ASN 45 5.845 -4.193 3.205
71 HB2 ASN 45 HB2 ASN 45 5.916 -2.154 1.051
72 HB3 ASN 45 HB3 ASN 45 7.366 -3.084 1.460
73 HD21 ASN 45 HD21 ASN 45 7.558 -5.251 0.779
74 HD22 ASN 45 HD22 ASN 45 6.411 -5.933 -0.317
75 HA PRO 46 HA PRO 46 7.320 -0.764 5.910
76 HB2 PRO 46 HB2 PRO 46 8.166 -2.296 7.990
77 HB3 PRO 46 HB3 PRO 46 6.458 -1.840 7.732
78 HG2 PRO 46 HG2 PRO 46 7.801 -4.468 7.060
79 HG3 PRO 46 HG3 PRO 46 6.201 -4.180 7.798
80 HD2 PRO 46 HD2 PRO 46 6.569 -4.698 5.114
81 HD3 PRO 46 HD3 PRO 46 5.214 -3.714 5.752
82 H CYS 47 H CYS 47 9.129 -0.008 4.996
83 HA CYS 47 HA CYS 47 11.563 -1.707 4.657
84 HB2 CYS 47 HB2 CYS 47 12.129 0.229 3.036
85 HB3 CYS 47 HB3 CYS 47 10.948 -0.948 2.528
86 H ALA 48 H ALA 48 13.571 -0.337 4.827
87 HA ALA 48 HA ALA 48 13.902 0.935 7.241
88 HB1 ALA 48 HB1 ALA 48 15.972 1.867 6.258
89 HB2 ALA 48 HB2 ALA 48 15.744 0.175 5.799
90 HB3 ALA 48 HB3 ALA 48 15.387 1.449 4.630
91 H CYS 49 H CYS 49 12.505 2.394 4.425
92 HA CYS 49 HA CYS 49 12.818 5.129 5.534
93 HB2 CYS 49 HB2 CYS 49 12.259 6.084 3.595
94 HB3 CYS 49 HB3 CYS 49 13.232 4.773 3.041
95 H GLY 50 H GLY 50 10.430 2.570 5.408
96 HA2 GLY 50 HA2 GLY 50 8.233 2.493 5.964
97 HA3 GLY 50 HA3 GLY 50 8.718 3.678 7.190
98 H ARG 51 H ARG 51 8.173 3.763 3.613
99 HA ARG 51 HA ARG 51 6.487 6.190 3.985
100 HB2 ARG 51 HB2 ARG 51 8.716 6.762 3.108
101 HB3 ARG 51 HB3 ARG 51 8.529 5.567 1.813
102 HG2 ARG 51 HG2 ARG 51 6.489 7.716 1.994
103 HG3 ARG 51 HG3 ARG 51 8.123 8.133 1.456
104 HD2 ARG 51 HD2 ARG 51 7.955 6.338 -0.314
105 HD3 ARG 51 HD3 ARG 51 6.240 6.166 0.106
106 HE ARG 51 HE ARG 51 7.181 8.882 -0.519
107 HH11 ARG 51 HH11 ARG 51 5.144 6.179 -1.693
108 HH12 ARG 51 HH12 ARG 51 4.660 7.078 -3.083
109 HH21 ARG 51 HH21 ARG 51 6.605 9.911 -2.417
110 HH22 ARG 51 HH22 ARG 51 5.519 9.179 -3.538
111 H GLU 52 H GLU 52 4.682 6.261 2.932
112 HA GLU 52 HA GLU 52 4.119 4.216 0.879
113 HB2 GLU 52 HB2 GLU 52 1.776 4.184 1.654
114 HB3 GLU 52 HB3 GLU 52 2.987 3.665 2.812
115 HG2 GLU 52 HG2 GLU 52 2.798 6.117 3.766
116 HG3 GLU 52 HG3 GLU 52 1.305 6.181 2.824
117 H GLY 53 H GLY 53 3.921 7.447 1.713
118 HA2 GLY 53 HA2 GLY 53 4.239 9.161 -0.070
119 HA3 GLY 53 HA3 GLY 53 3.169 8.182 -1.101
120 H THR 54 H THR 54 1.153 9.029 -1.217
121 HA THR 54 HA THR 54 0.126 10.576 1.063
122 HB THR 54 HB THR 54 -1.074 10.451 -1.702
123 HG1 THR 54 HG1 THR 54 0.318 12.437 -1.952
124 HG21 THR 54 HG21 THR 54 -1.806 12.724 -1.068
125 HG22 THR 54 HG22 THR 54 -0.905 12.578 0.471
126 HG23 THR 54 HG23 THR 54 -2.318 11.543 0.157
127 HA PRO 55 HA PRO 55 -2.122 6.701 1.723
128 HB2 PRO 55 HB2 PRO 55 -2.955 7.195 4.246
129 HB3 PRO 55 HB3 PRO 55 -1.276 6.751 3.833
130 HG2 PRO 55 HG2 PRO 55 -2.368 9.526 4.333
131 HG3 PRO 55 HG3 PRO 55 -0.919 8.749 5.058
132 HD2 PRO 55 HD2 PRO 55 -0.723 10.354 2.905
133 HD3 PRO 55 HD3 PRO 55 0.296 8.888 3.074
134 H SER 56 H SER 56 -3.814 6.800 0.363
135 HA SER 56 HA SER 56 -6.081 8.644 0.952
136 HB2 SER 56 HB2 SER 56 -5.223 7.674 -1.778
137 HB3 SER 56 HB3 SER 56 -6.376 8.954 -1.361
138 HG SER 56 HG SER 56 -3.522 8.940 -1.084
139 H GLY 57 H GLY 57 -5.576 5.819 1.802
140 HA2 GLY 57 HA2 GLY 57 -7.281 4.092 0.203
141 HA3 GLY 57 HA3 GLY 57 -6.568 3.741 1.770
142 H ARG 58 H ARG 58 -8.599 6.607 1.445
143 HA ARG 58 HA ARG 58 -10.334 5.837 3.549
144 HB2 ARG 58 HB2 ARG 58 -11.536 7.907 3.119
145 HB3 ARG 58 HB3 ARG 58 -9.812 8.147 3.177
146 HG2 ARG 58 HG2 ARG 58 -9.663 8.358 0.760
147 HG3 ARG 58 HG3 ARG 58 -11.370 7.949 0.560
148 HD2 ARG 58 HD2 ARG 58 -10.460 10.311 2.267
149 HD3 ARG 58 HD3 ARG 58 -10.712 10.472 0.535
150 HE ARG 58 HE ARG 58 -12.723 10.148 2.630
151 HH11 ARG 58 HH11 ARG 58 -12.074 10.137 -0.874
152 HH12 ARG 58 HH12 ARG 58 -13.756 10.179 -1.311
153 HH21 ARG 58 HH21 ARG 58 -14.987 10.272 1.993
154 HH22 ARG 58 HH22 ARG 58 -15.367 10.484 0.310
155 H ALA 59 H ALA 59 -10.499 4.086 1.032
156 HA ALA 59 HA ALA 59 -13.424 4.232 0.536
157 HB1 ALA 59 HB1 ALA 59 -12.051 4.112 -1.462
158 HB2 ALA 59 HB2 ALA 59 -11.268 2.651 -0.892
159 HB3 ALA 59 HB3 ALA 59 -13.012 2.633 -1.276
160 H ASN 60 H ASN 60 -11.808 1.433 0.303
161 HA ASN 60 HA ASN 60 -12.845 0.119 2.776
162 HB2 ASN 60 HB2 ASN 60 -13.021 -1.943 1.252
163 HB3 ASN 60 HB3 ASN 60 -14.179 -0.650 0.979
164 HD21 ASN 60 HD21 ASN 60 -14.539 -1.430 -1.268
165 HD22 ASN 60 HD22 ASN 60 -13.374 -0.933 -2.462
166 H ARG 61 H ARG 61 -10.105 1.354 1.909
167 HA ARG 61 HA ARG 61 -8.431 -1.088 2.290
168 HB2 ARG 61 HB2 ARG 61 -7.399 1.658 1.459
169 HB3 ARG 61 HB3 ARG 61 -6.521 0.145 1.511
170 HG2 ARG 61 HG2 ARG 61 -6.937 0.142 -0.735
171 HG3 ARG 61 HG3 ARG 61 -8.425 -0.653 -0.206
172 HD2 ARG 61 HD2 ARG 61 -9.329 1.827 -0.039
173 HD3 ARG 61 HD3 ARG 61 -7.973 2.224 -1.073
174 HE ARG 61 HE ARG 61 -10.196 0.316 -1.667
175 HH11 ARG 61 HH11 ARG 61 -7.763 2.554 -3.027
176 HH12 ARG 61 HH12 ARG 61 -8.495 2.574 -4.592
177 HH21 ARG 61 HH21 ARG 61 -11.154 0.383 -3.694
178 HH22 ARG 61 HH22 ARG 61 -10.325 1.009 -5.059
179 H ARG 62 H ARG 62 -6.352 -0.412 3.515
180 HA ARG 62 HA ARG 62 -7.088 0.129 6.251
181 HB2 ARG 62 HB2 ARG 62 -5.035 -1.188 4.875
182 HB3 ARG 62 HB3 ARG 62 -4.191 0.207 5.447
183 HG2 ARG 62 HG2 ARG 62 -3.836 -1.462 7.067
184 HG3 ARG 62 HG3 ARG 62 -4.987 -0.352 7.821
185 HD2 ARG 62 HD2 ARG 62 -6.816 -1.859 7.448
186 HD3 ARG 62 HD3 ARG 62 -5.889 -2.828 6.300
187 HE ARG 62 HE ARG 62 -4.686 -3.864 8.035
188 HH11 ARG 62 HH11 ARG 62 -6.974 -1.570 9.539
189 HH12 ARG 62 HH12 ARG 62 -7.391 -2.678 10.795
190 HH21 ARG 62 HH21 ARG 62 -5.188 -5.252 9.796
191 HH22 ARG 62 HH22 ARG 62 -6.493 -4.839 10.852
192 H ALA 63 H ALA 63 -7.072 2.364 4.063
193 HA ALA 63 HA ALA 63 -6.878 4.603 3.925
194 HB1 ALA 63 HB1 ALA 63 -5.867 4.656 6.784
195 HB2 ALA 63 HB2 ALA 63 -6.518 5.998 5.841
196 HB3 ALA 63 HB3 ALA 63 -7.583 4.658 6.302
197 H ASN 64 H ASN 64 -4.239 3.013 5.285
198 HA ASN 64 HA ASN 64 -2.047 4.793 4.620
199 HB2 ASN 64 HB2 ASN 64 -2.114 1.868 5.509
200 HB3 ASN 64 HB3 ASN 64 -0.623 2.774 5.268
201 HD21 ASN 64 HD21 ASN 64 -0.937 5.189 6.428
202 HD22 ASN 64 HD22 ASN 64 -1.631 5.107 8.050
203 H CYS 65 H CYS 65 -3.933 2.993 2.690
204 HA CYS 65 HA CYS 65 -1.768 2.018 0.945
205 HB2 CYS 65 HB2 CYS 65 -3.576 0.464 1.368
206 HB3 CYS 65 HB3 CYS 65 -4.688 1.717 0.809
207 H SER 66 H SER 66 -0.902 3.917 0.239
208 HA SER 66 HA SER 66 -2.240 6.005 -1.124
209 HB2 SER 66 HB2 SER 66 0.248 6.391 -1.644
210 HB3 SER 66 HB3 SER 66 -0.114 6.190 0.072
211 HG SER 66 HG SER 66 1.664 4.923 -0.943
212 H CYS 67 H CYS 67 -1.165 2.925 -1.991
213 HA CYS 67 HA CYS 67 -0.896 3.490 -4.932
214 HB2 CYS 67 HB2 CYS 67 0.158 1.484 -5.233
215 HB3 CYS 67 HB3 CYS 67 0.766 1.991 -3.681
216 H GLY 68 H GLY 68 -2.557 2.797 -6.581
217 HA2 GLY 68 HA2 GLY 68 -4.796 1.172 -5.568
218 HA3 GLY 68 HA3 GLY 68 -4.981 2.672 -6.501
219 H ALA 69 H ALA 69 -3.367 2.836 -8.338
220 HA ALA 69 HA ALA 69 -3.702 1.685 -10.539
221 HB1 ALA 69 HB1 ALA 69 -1.963 3.301 -10.323
222 HB2 ALA 69 HB2 ALA 69 -0.956 2.203 -9.352
223 HB3 ALA 69 HB3 ALA 69 -1.235 1.850 -11.054
224 H ALA 70 H ALA 70 -4.063 -0.028 -11.171
225 HA ALA 70 HA ALA 70 -4.600 -2.368 -11.196
226 HB1 ALA 70 HB1 ALA 70 -1.950 -1.957 -12.626
227 HB2 ALA 70 HB2 ALA 70 -3.122 -3.243 -12.947
228 HB3 ALA 70 HB3 ALA 70 -3.567 -1.565 -13.262
229 H CYS 71 H CYS 71 -3.790 -2.283 -8.573
230 HA CYS 71 HA CYS 71 -1.641 -4.299 -8.302
231 HB2 CYS 71 HB2 CYS 71 -1.475 -2.305 -7.260
232 HB3 CYS 71 HB3 CYS 71 -3.115 -2.292 -6.595
233 H ASN 72 H ASN 72 -1.909 -6.251 -7.463
234 HA ASN 72 HA ASN 72 -4.654 -7.275 -6.885
235 HB2 ASN 72 HB2 ASN 72 -3.887 -8.407 -8.788
236 HB3 ASN 72 HB3 ASN 72 -2.202 -8.368 -8.297
237 HD21 ASN 72 HD21 ASN 72 -5.010 -10.397 -8.487
238 HD22 ASN 72 HD22 ASN 72 -4.280 -11.721 -7.689
239 H CYS 73 H CYS 73 -1.743 -6.414 -5.424
240 HA CYS 73 HA CYS 73 -1.321 -8.396 -3.457
241 HB2 CYS 73 HB2 CYS 73 0.072 -6.611 -3.436
242 HB3 CYS 73 HB3 CYS 73 -1.239 -5.420 -3.339
243 H ALA 74 H ALA 74 -2.896 -9.517 -2.391
244 HA ALA 74 HA ALA 74 -5.463 -8.701 -1.748
245 HB1 ALA 74 HB1 ALA 74 -4.646 -11.044 -1.643
246 HB2 ALA 74 HB2 ALA 74 -3.685 -10.626 -0.196
247 HB3 ALA 74 HB3 ALA 74 -5.447 -10.561 -0.131
248 H SER 75 H SER 75 -2.432 -8.206 0.195
249 HA SER 75 HA SER 75 -3.739 -7.316 2.520
250 HB2 SER 75 HB2 SER 75 -1.106 -6.192 1.644
251 HB3 SER 75 HB3 SER 75 -1.619 -6.714 3.251
252 HG SER 75 HG SER 75 -1.173 -8.802 2.725
253 H CYS 76 H CYS 76 -3.452 -5.823 -0.601
254 HA CYS 76 HA CYS 76 -4.045 -3.103 0.488
255 HB2 CYS 76 HB2 CYS 76 -3.167 -4.160 -2.215
256 HB3 CYS 76 HB3 CYS 76 -3.950 -2.623 -1.979
257 H GLY 77 H GLY 77 -5.469 -5.782 -1.573
258 HA2 GLY 77 HA2 GLY 77 -7.651 -4.212 -2.502
259 HA3 GLY 77 HA3 GLY 77 -7.527 -5.976 -2.452
260 H SER 78 H SER 78 -7.139 -6.171 0.482
261 HA SER 78 HA SER 78 -9.823 -5.305 1.411
262 HB2 SER 78 HB2 SER 78 -9.502 -7.749 0.782
263 HB3 SER 78 HB3 SER 78 -8.320 -7.851 2.102
264 HG SER 78 HG SER 78 -10.354 -8.516 2.763
265 H ALA 79 H ALA 79 -9.984 -5.110 3.744
266 HA ALA 79 HA ALA 79 -7.611 -4.748 5.394
267 HB1 ALA 79 HB1 ALA 79 -7.623 -2.582 4.310
268 HB2 ALA 79 HB2 ALA 79 -9.386 -2.424 4.512
269 HB3 ALA 79 HB3 ALA 79 -8.343 -2.368 5.929
270 H THR 80 H THR 80 -8.392 -6.151 6.964
271 HA THR 80 HA THR 80 -11.151 -6.400 7.617
272 HB THR 80 HB THR 80 -10.042 -7.551 9.710
273 HG1 THR 80 HG1 THR 80 -7.957 -6.805 9.451
274 HG21 THR 80 HG21 THR 80 -9.655 -9.581 8.374
275 HG22 THR 80 HG22 THR 80 -9.644 -8.620 6.881
276 HG23 THR 80 HG23 THR 80 -11.125 -8.753 7.848
277 H ALA 81 H ALA 81 -12.335 -4.861 8.531
278 HA ALA 81 HA ALA 81 -11.135 -3.045 10.568
279 HB1 ALA 81 HB1 ALA 81 -13.533 -2.614 8.729
280 HB2 ALA 81 HB2 ALA 81 -12.964 -1.496 9.980
281 HB3 ALA 81 HB3 ALA 81 -11.939 -1.841 8.568
282 HA PRO 82 HA PRO 82 -13.815 -5.257 13.346
283 HB2 PRO 82 HB2 PRO 82 -14.469 -3.336 15.212
284 HB3 PRO 82 HB3 PRO 82 -12.873 -4.137 15.126
285 HG2 PRO 82 HG2 PRO 82 -13.659 -1.432 13.993
286 HG3 PRO 82 HG3 PRO 82 -12.181 -1.878 14.909
287 HD2 PRO 82 HD2 PRO 82 -12.260 -1.658 12.204
288 HD3 PRO 82 HD3 PRO 82 -11.224 -2.867 13.027
289 H GLY 83 H GLY 83 -15.001 -1.880 12.654
290 HA2 GLY 83 HA2 GLY 83 -16.929 -1.980 10.967
291 HA3 GLY 83 HA3 GLY 83 -17.777 -2.711 12.356
Start of MODEL 15
1 H1 GLY 31 H GLY 31 20.344 -2.237 -4.112
2 HA2 GLY 31 HA2 GLY 31 19.349 -3.248 -6.117
3 HA3 GLY 31 HA3 GLY 31 18.368 -4.256 -5.035
4 H GLU 32 H GLU 32 16.428 -3.351 -4.142
5 HA GLU 32 HA GLU 32 15.988 -0.457 -4.448
6 HB2 GLU 32 HB2 GLU 32 14.495 -2.662 -5.854
7 HB3 GLU 32 HB3 GLU 32 13.593 -1.261 -5.275
8 HG2 GLU 32 HG2 GLU 32 15.023 0.267 -6.536
9 HG3 GLU 32 HG3 GLU 32 16.014 -1.092 -7.093
10 H HIS 33 H HIS 33 13.705 -0.026 -3.380
11 HA HIS 33 HA HIS 33 13.972 -1.147 -0.699
12 HB2 HIS 33 HB2 HIS 33 12.908 1.291 -1.845
13 HB3 HIS 33 HB3 HIS 33 11.775 0.566 -0.698
14 HD2 HIS 33 HD2 HIS 33 15.597 0.194 -0.284
15 HE1 HIS 33 HE1 HIS 33 14.411 2.971 2.670
16 HE2 HIS 33 HE2 HIS 33 16.353 1.640 1.730
17 H THR 34 H THR 34 12.064 -1.636 0.603
18 HA THR 34 HA THR 34 10.661 -3.833 -0.701
19 HB THR 34 HB THR 34 10.181 -2.733 2.091
20 HG1 THR 34 HG1 THR 34 12.399 -4.170 1.068
21 HG21 THR 34 HG21 THR 34 8.786 -4.603 1.526
22 HG22 THR 34 HG22 THR 34 10.010 -5.157 2.666
23 HG23 THR 34 HG23 THR 34 10.167 -5.553 0.940
24 H THR 35 H THR 35 9.084 -3.234 -2.106
25 HA THR 35 HA THR 35 7.294 -0.972 -1.416
26 HB THR 35 HB THR 35 7.180 -0.684 -3.961
27 HG1 THR 35 HG1 THR 35 8.230 -2.594 -4.667
28 HG21 THR 35 HG21 THR 35 9.130 0.748 -4.019
29 HG22 THR 35 HG22 THR 35 9.906 -0.153 -2.702
30 HG23 THR 35 HG23 THR 35 8.437 0.792 -2.386
31 H CYS 36 H CYS 36 5.160 -1.165 -2.466
32 HA CYS 36 HA CYS 36 4.156 -3.783 -2.121
33 HB2 CYS 36 HB2 CYS 36 2.940 -1.463 -2.151
34 HB3 CYS 36 HB3 CYS 36 3.147 -1.506 -3.874
35 H GLY 37 H GLY 37 4.017 -5.486 -3.550
36 HA2 GLY 37 HA2 GLY 37 5.502 -5.915 -5.683
37 HA3 GLY 37 HA3 GLY 37 3.899 -6.614 -5.509
38 H CYS 38 H CYS 38 2.656 -3.893 -5.856
39 HA CYS 38 HA CYS 38 2.260 -4.039 -8.687
40 HB2 CYS 38 HB2 CYS 38 0.696 -2.396 -8.490
41 HB3 CYS 38 HB3 CYS 38 0.481 -3.392 -7.146
42 H GLY 39 H GLY 39 4.695 -2.586 -6.866
43 HA2 GLY 39 HA2 GLY 39 6.562 -1.501 -7.595
44 HA3 GLY 39 HA3 GLY 39 5.716 -0.910 -9.032
45 H GLU 40 H GLU 40 4.980 -0.428 -5.375
46 HA GLU 40 HA GLU 40 5.792 2.261 -5.627
47 HB2 GLU 40 HB2 GLU 40 3.882 3.043 -6.069
48 HB3 GLU 40 HB3 GLU 40 3.167 1.516 -6.361
49 HG2 GLU 40 HG2 GLU 40 3.038 2.567 -3.498
50 HG3 GLU 40 HG3 GLU 40 2.040 3.210 -4.767
51 H HIS 41 H HIS 41 6.125 3.258 -3.651
52 HA HIS 41 HA HIS 41 6.400 1.650 -1.290
53 HB2 HIS 41 HB2 HIS 41 6.790 4.524 -2.113
54 HB3 HIS 41 HB3 HIS 41 6.547 4.206 -0.413
55 HD1 HIS 41 HD1 HIS 41 9.271 3.385 -3.134
56 HD2 HIS 41 HD2 HIS 41 8.510 3.351 1.011
57 HE1 HIS 41 HE1 HIS 41 11.424 2.763 -1.989
58 H CYS 42 H CYS 42 4.687 0.963 -0.113
59 HA CYS 42 HA CYS 42 2.278 2.619 0.321
60 HB2 CYS 42 HB2 CYS 42 1.978 1.020 -1.564
61 HB3 CYS 42 HB3 CYS 42 2.262 -0.334 -0.463
62 H GLY 43 H GLY 43 1.241 2.055 2.346
63 HA2 GLY 43 HA2 GLY 43 3.036 1.388 4.382
64 HA3 GLY 43 HA3 GLY 43 1.307 1.496 4.525
65 H CYS 44 H CYS 44 2.169 -0.771 2.346
66 HA CYS 44 HA CYS 44 1.564 -3.014 4.197
67 HB2 CYS 44 HB2 CYS 44 0.721 -4.203 2.328
68 HB3 CYS 44 HB3 CYS 44 0.022 -2.562 2.310
69 H ASN 45 H ASN 45 4.206 -1.514 3.029
70 HA ASN 45 HA ASN 45 5.740 -4.084 2.953
71 HB2 ASN 45 HB2 ASN 45 5.622 -2.013 0.808
72 HB3 ASN 45 HB3 ASN 45 7.155 -2.836 1.146
73 HD21 ASN 45 HD21 ASN 45 7.394 -5.085 0.616
74 HD22 ASN 45 HD22 ASN 45 6.300 -5.773 -0.524
75 HA PRO 46 HA PRO 46 7.533 -1.042 5.877
76 HB2 PRO 46 HB2 PRO 46 8.785 -2.880 7.494
77 HB3 PRO 46 HB3 PRO 46 7.070 -2.411 7.689
78 HG2 PRO 46 HG2 PRO 46 8.194 -4.848 6.287
79 HG3 PRO 46 HG3 PRO 46 6.801 -4.754 7.399
80 HD2 PRO 46 HD2 PRO 46 6.532 -4.812 4.702
81 HD3 PRO 46 HD3 PRO 46 5.398 -3.839 5.696
82 H CYS 47 H CYS 47 9.395 -0.129 5.253
83 HA CYS 47 HA CYS 47 11.601 -1.736 4.055
84 HB2 CYS 47 HB2 CYS 47 11.981 0.274 2.635
85 HB3 CYS 47 HB3 CYS 47 10.506 -0.589 2.186
86 H ALA 48 H ALA 48 13.656 -0.574 4.235
87 HA ALA 48 HA ALA 48 14.325 0.385 6.710
88 HB1 ALA 48 HB1 ALA 48 16.404 1.192 5.698
89 HB2 ALA 48 HB2 ALA 48 15.933 -0.335 4.983
90 HB3 ALA 48 HB3 ALA 48 15.655 1.171 4.088
91 H CYS 49 H CYS 49 12.503 2.221 4.614
92 HA CYS 49 HA CYS 49 13.208 4.766 6.031
93 HB2 CYS 49 HB2 CYS 49 13.017 6.034 4.167
94 HB3 CYS 49 HB3 CYS 49 13.865 4.607 3.615
95 H GLY 50 H GLY 50 10.809 2.439 5.471
96 HA2 GLY 50 HA2 GLY 50 8.590 2.287 5.959
97 HA3 GLY 50 HA3 GLY 50 8.871 3.620 7.073
98 H ARG 51 H ARG 51 9.526 4.625 3.940
99 HA ARG 51 HA ARG 51 7.402 6.503 3.881
100 HB2 ARG 51 HB2 ARG 51 9.681 6.583 2.657
101 HB3 ARG 51 HB3 ARG 51 8.961 5.558 1.446
102 HG2 ARG 51 HG2 ARG 51 7.181 7.568 1.289
103 HG3 ARG 51 HG3 ARG 51 8.433 8.455 2.169
104 HD2 ARG 51 HD2 ARG 51 10.043 7.615 0.298
105 HD3 ARG 51 HD3 ARG 51 8.554 7.138 -0.558
106 HE ARG 51 HE ARG 51 8.423 9.865 0.325
107 HH11 ARG 51 HH11 ARG 51 9.948 7.854 -2.151
108 HH12 ARG 51 HH12 ARG 51 10.072 9.120 -3.330
109 HH21 ARG 51 HH21 ARG 51 8.502 11.564 -1.247
110 HH22 ARG 51 HH22 ARG 51 9.146 11.239 -2.824
111 H GLU 52 H GLU 52 5.646 6.760 2.447
112 HA GLU 52 HA GLU 52 4.752 4.751 0.654
113 HB2 GLU 52 HB2 GLU 52 2.571 4.438 1.827
114 HB3 GLU 52 HB3 GLU 52 3.940 3.611 2.558
115 HG2 GLU 52 HG2 GLU 52 4.095 5.278 4.357
116 HG3 GLU 52 HG3 GLU 52 2.783 6.216 3.610
117 H GLY 53 H GLY 53 3.121 5.708 -0.692
118 HA2 GLY 53 HA2 GLY 53 3.289 8.622 -0.764
119 HA3 GLY 53 HA3 GLY 53 2.376 7.593 -1.888
120 H THR 54 H THR 54 0.940 9.787 -1.191
121 HA THR 54 HA THR 54 -0.359 9.746 1.236
122 HB THR 54 HB THR 54 -1.562 10.709 -1.375
123 HG1 THR 54 HG1 THR 54 -0.309 12.672 -0.309
124 HG21 THR 54 HG21 THR 54 -3.064 10.839 0.593
125 HG22 THR 54 HG22 THR 54 -2.517 12.456 0.126
126 HG23 THR 54 HG23 THR 54 -1.789 11.655 1.530
127 HA PRO 55 HA PRO 55 -2.772 6.031 0.788
128 HB2 PRO 55 HB2 PRO 55 -4.294 6.268 3.069
129 HB3 PRO 55 HB3 PRO 55 -2.569 5.795 3.063
130 HG2 PRO 55 HG2 PRO 55 -3.764 8.540 3.513
131 HG3 PRO 55 HG3 PRO 55 -2.553 7.688 4.531
132 HD2 PRO 55 HD2 PRO 55 -1.823 9.498 2.688
133 HD3 PRO 55 HD3 PRO 55 -0.863 8.000 2.875
134 H SER 56 H SER 56 -4.845 5.385 0.267
135 HA SER 56 HA SER 56 -6.664 7.564 -0.614
136 HB2 SER 56 HB2 SER 56 -7.766 5.916 -1.937
137 HB3 SER 56 HB3 SER 56 -6.027 5.762 -2.212
138 HG SER 56 HG SER 56 -7.354 4.230 -0.273
139 H GLY 57 H GLY 57 -7.479 8.284 1.475
140 HA2 GLY 57 HA2 GLY 57 -8.581 6.377 3.384
141 HA3 GLY 57 HA3 GLY 57 -8.689 8.136 3.434
142 H ARG 58 H ARG 58 -9.729 7.877 0.547
143 HA ARG 58 HA ARG 58 -12.488 8.150 0.940
144 HB2 ARG 58 HB2 ARG 58 -12.489 8.346 -1.563
145 HB3 ARG 58 HB3 ARG 58 -11.306 9.362 -0.774
146 HG2 ARG 58 HG2 ARG 58 -9.478 7.926 -1.430
147 HG3 ARG 58 HG3 ARG 58 -10.587 6.663 -2.009
148 HD2 ARG 58 HD2 ARG 58 -11.320 8.009 -3.843
149 HD3 ARG 58 HD3 ARG 58 -10.564 9.467 -3.183
150 HE ARG 58 HE ARG 58 -8.429 7.782 -3.518
151 HH11 ARG 58 HH11 ARG 58 -10.857 9.275 -5.643
152 HH12 ARG 58 HH12 ARG 58 -9.784 9.391 -6.993
153 HH21 ARG 58 HH21 ARG 58 -7.064 7.842 -5.304
154 HH22 ARG 58 HH22 ARG 58 -7.562 8.575 -6.795
155 H ALA 59 H ALA 59 -11.095 5.326 1.304
156 HA ALA 59 HA ALA 59 -13.422 3.853 0.475
157 HB1 ALA 59 HB1 ALA 59 -12.177 3.465 -1.542
158 HB2 ALA 59 HB2 ALA 59 -10.665 3.204 -0.653
159 HB3 ALA 59 HB3 ALA 59 -11.983 2.003 -0.552
160 H ASN 60 H ASN 60 -13.394 1.723 1.438
161 HA ASN 60 HA ASN 60 -12.729 1.632 4.142
162 HB2 ASN 60 HB2 ASN 60 -13.620 -0.631 4.092
163 HB3 ASN 60 HB3 ASN 60 -14.597 0.434 3.109
164 HD21 ASN 60 HD21 ASN 60 -11.798 -1.857 2.732
165 HD22 ASN 60 HD22 ASN 60 -12.451 -2.605 1.272
166 H ARG 61 H ARG 61 -10.282 1.783 2.314
167 HA ARG 61 HA ARG 61 -8.722 -0.621 2.827
168 HB2 ARG 61 HB2 ARG 61 -7.562 2.075 2.081
169 HB3 ARG 61 HB3 ARG 61 -6.923 0.468 1.714
170 HG2 ARG 61 HG2 ARG 61 -9.318 1.862 0.490
171 HG3 ARG 61 HG3 ARG 61 -7.796 1.501 -0.297
172 HD2 ARG 61 HD2 ARG 61 -8.327 -0.879 -0.400
173 HD3 ARG 61 HD3 ARG 61 -9.706 -0.681 0.680
174 HE ARG 61 HE ARG 61 -11.022 -0.147 -1.055
175 HH11 ARG 61 HH11 ARG 61 -7.746 0.187 -2.266
176 HH12 ARG 61 HH12 ARG 61 -8.210 0.982 -3.749
177 HH21 ARG 61 HH21 ARG 61 -11.668 0.913 -2.997
178 HH22 ARG 61 HH22 ARG 61 -10.503 1.447 -4.134
179 H ARG 62 H ARG 62 -6.355 -0.094 3.935
180 HA ARG 62 HA ARG 62 -6.987 0.294 6.682
181 HB2 ARG 62 HB2 ARG 62 -4.781 -0.706 4.903
182 HB3 ARG 62 HB3 ARG 62 -4.177 0.040 6.325
183 HG2 ARG 62 HG2 ARG 62 -6.059 -2.354 6.186
184 HG3 ARG 62 HG3 ARG 62 -4.386 -2.301 6.749
185 HD2 ARG 62 HD2 ARG 62 -5.420 -0.498 8.451
186 HD3 ARG 62 HD3 ARG 62 -6.903 -1.378 8.102
187 HE ARG 62 HE ARG 62 -4.419 -2.353 9.435
188 HH11 ARG 62 HH11 ARG 62 -7.872 -2.947 8.849
189 HH12 ARG 62 HH12 ARG 62 -7.869 -4.448 9.713
190 HH21 ARG 62 HH21 ARG 62 -4.537 -4.280 10.763
191 HH22 ARG 62 HH22 ARG 62 -6.000 -5.213 10.729
192 H ALA 63 H ALA 63 -6.947 2.805 4.856
193 HA ALA 63 HA ALA 63 -6.352 4.995 4.978
194 HB1 ALA 63 HB1 ALA 63 -7.400 4.736 7.189
195 HB2 ALA 63 HB2 ALA 63 -5.778 4.465 7.899
196 HB3 ALA 63 HB3 ALA 63 -6.159 6.004 7.128
197 H ASN 64 H ASN 64 -4.225 2.774 4.736
198 HA ASN 64 HA ASN 64 -1.842 4.537 4.635
199 HB2 ASN 64 HB2 ASN 64 -2.136 1.975 6.189
200 HB3 ASN 64 HB3 ASN 64 -0.570 2.451 5.501
201 HD21 ASN 64 HD21 ASN 64 -2.499 2.893 8.355
202 HD22 ASN 64 HD22 ASN 64 -1.626 4.281 8.907
203 H CYS 65 H CYS 65 -3.908 3.174 2.667
204 HA CYS 65 HA CYS 65 -1.850 1.693 1.106
205 HB2 CYS 65 HB2 CYS 65 -3.862 0.407 1.504
206 HB3 CYS 65 HB3 CYS 65 -4.830 1.708 0.784
207 H SER 66 H SER 66 -0.779 3.421 0.225
208 HA SER 66 HA SER 66 -1.735 5.669 -1.077
209 HB2 SER 66 HB2 SER 66 0.659 5.667 -1.915
210 HB3 SER 66 HB3 SER 66 0.527 5.248 -0.213
211 HG SER 66 HG SER 66 1.930 3.862 -1.458
212 H CYS 67 H CYS 67 -2.001 2.732 -2.157
213 HA CYS 67 HA CYS 67 -1.207 2.707 -4.978
214 HB2 CYS 67 HB2 CYS 67 -3.266 1.128 -3.429
215 HB3 CYS 67 HB3 CYS 67 -2.890 0.722 -5.082
216 H GLY 68 H GLY 68 -2.885 2.165 -6.839
217 HA2 GLY 68 HA2 GLY 68 -5.447 3.276 -6.783
218 HA3 GLY 68 HA3 GLY 68 -4.315 4.528 -7.330
219 H ALA 69 H ALA 69 -2.579 2.072 -8.397
220 HA ALA 69 HA ALA 69 -4.204 1.483 -10.798
221 HB1 ALA 69 HB1 ALA 69 -2.451 3.309 -11.060
222 HB2 ALA 69 HB2 ALA 69 -1.212 2.105 -10.686
223 HB3 ALA 69 HB3 ALA 69 -2.229 1.923 -12.139
224 H ALA 70 H ALA 70 -3.707 -0.242 -11.819
225 HA ALA 70 HA ALA 70 -4.057 -2.653 -11.460
226 HB1 ALA 70 HB1 ALA 70 -2.816 -2.153 -13.460
227 HB2 ALA 70 HB2 ALA 70 -1.294 -2.029 -12.557
228 HB3 ALA 70 HB3 ALA 70 -2.141 -3.584 -12.710
229 H CYS 71 H CYS 71 -4.150 -2.782 -9.091
230 HA CYS 71 HA CYS 71 -1.648 -4.058 -8.040
231 HB2 CYS 71 HB2 CYS 71 -1.812 -1.911 -7.236
232 HB3 CYS 71 HB3 CYS 71 -3.446 -2.148 -6.577
233 H ASN 72 H ASN 72 -1.930 -6.098 -7.993
234 HA ASN 72 HA ASN 72 -4.428 -7.212 -6.875
235 HB2 ASN 72 HB2 ASN 72 -3.776 -9.290 -7.722
236 HB3 ASN 72 HB3 ASN 72 -3.625 -8.085 -8.983
237 HD21 ASN 72 HD21 ASN 72 -2.306 -10.215 -9.700
238 HD22 ASN 72 HD22 ASN 72 -0.602 -9.961 -9.409
239 H CYS 73 H CYS 73 -1.513 -6.155 -5.522
240 HA CYS 73 HA CYS 73 -0.701 -8.249 -3.780
241 HB2 CYS 73 HB2 CYS 73 0.497 -6.248 -3.601
242 HB3 CYS 73 HB3 CYS 73 -1.017 -5.327 -3.391
243 H ALA 74 H ALA 74 -2.029 -9.633 -2.625
244 HA ALA 74 HA ALA 74 -4.592 -9.273 -1.745
245 HB1 ALA 74 HB1 ALA 74 -4.109 -11.100 -0.170
246 HB2 ALA 74 HB2 ALA 74 -3.412 -11.422 -1.773
247 HB3 ALA 74 HB3 ALA 74 -2.363 -10.888 -0.429
248 H SER 75 H SER 75 -1.580 -8.380 0.080
249 HA SER 75 HA SER 75 -2.917 -7.776 2.502
250 HB2 SER 75 HB2 SER 75 -0.492 -6.249 1.555
251 HB3 SER 75 HB3 SER 75 -0.944 -6.679 3.209
252 HG SER 75 HG SER 75 -0.234 -8.668 2.934
253 H CYS 76 H CYS 76 -2.883 -6.060 -0.502
254 HA CYS 76 HA CYS 76 -3.935 -3.547 0.728
255 HB2 CYS 76 HB2 CYS 76 -3.143 -4.299 -2.121
256 HB3 CYS 76 HB3 CYS 76 -4.050 -2.903 -1.749
257 H GLY 77 H GLY 77 -4.857 -6.276 -1.419
258 HA2 GLY 77 HA2 GLY 77 -7.367 -5.314 -2.246
259 HA3 GLY 77 HA3 GLY 77 -6.826 -7.002 -2.185
260 H SER 78 H SER 78 -6.605 -7.764 0.252
261 HA SER 78 HA SER 78 -8.893 -8.480 1.323
262 HB2 SER 78 HB2 SER 78 -6.959 -9.362 2.273
263 HB3 SER 78 HB3 SER 78 -6.249 -7.771 2.568
264 HG SER 78 HG SER 78 -8.060 -9.236 4.112
265 H ALA 79 H ALA 79 -7.299 -5.595 2.741
266 HA ALA 79 HA ALA 79 -8.108 -3.862 3.969
267 HB1 ALA 79 HB1 ALA 79 -8.953 -3.237 1.700
268 HB2 ALA 79 HB2 ALA 79 -10.495 -4.027 2.090
269 HB3 ALA 79 HB3 ALA 79 -9.951 -2.623 3.032
270 H THR 80 H THR 80 -8.691 -6.610 4.725
271 HA THR 80 HA THR 80 -9.790 -7.944 6.076
272 HB THR 80 HB THR 80 -8.510 -6.421 7.510
273 HG1 THR 80 HG1 THR 80 -9.812 -7.085 9.425
274 HG21 THR 80 HG21 THR 80 -9.651 -4.320 7.428
275 HG22 THR 80 HG22 THR 80 -9.779 -4.919 9.080
276 HG23 THR 80 HG23 THR 80 -11.167 -5.044 8.003
277 H ALA 81 H ALA 81 -11.501 -6.663 4.018
278 HA ALA 81 HA ALA 81 -14.079 -6.217 5.203
279 HB1 ALA 81 HB1 ALA 81 -13.416 -5.300 2.986
280 HB2 ALA 81 HB2 ALA 81 -13.269 -6.958 2.353
281 HB3 ALA 81 HB3 ALA 81 -14.852 -6.337 2.827
282 HA PRO 82 HA PRO 82 -15.334 -10.489 5.592
283 HB2 PRO 82 HB2 PRO 82 -18.045 -10.304 5.600
284 HB3 PRO 82 HB3 PRO 82 -17.059 -9.516 6.864
285 HG2 PRO 82 HG2 PRO 82 -18.130 -8.223 4.330
286 HG3 PRO 82 HG3 PRO 82 -18.363 -7.678 6.028
287 HD2 PRO 82 HD2 PRO 82 -16.373 -6.676 4.484
288 HD3 PRO 82 HD3 PRO 82 -16.086 -7.028 6.215
289 H GLY 83 H GLY 83 -15.270 -8.907 2.703
290 HA2 GLY 83 HA2 GLY 83 -16.379 -11.129 1.095
291 HA3 GLY 83 HA3 GLY 83 -16.652 -9.424 0.678
Start of MODEL 16
1 H1 GLY 31 H GLY 31 19.097 -2.441 -7.332
2 HA2 GLY 31 HA2 GLY 31 19.422 -0.804 -4.875
3 HA3 GLY 31 HA3 GLY 31 19.675 -0.202 -6.521
4 H GLU 32 H GLU 32 17.175 -1.422 -4.228
5 HA GLU 32 HA GLU 32 15.146 0.220 -5.475
6 HB2 GLU 32 HB2 GLU 32 13.620 -1.578 -6.004
7 HB3 GLU 32 HB3 GLU 32 15.131 -1.889 -6.857
8 HG2 GLU 32 HG2 GLU 32 15.737 -3.391 -4.789
9 HG3 GLU 32 HG3 GLU 32 14.010 -3.305 -4.414
10 H HIS 33 H HIS 33 12.964 -0.540 -4.049
11 HA HIS 33 HA HIS 33 13.947 -0.949 -1.287
12 HB2 HIS 33 HB2 HIS 33 12.897 1.473 -2.308
13 HB3 HIS 33 HB3 HIS 33 11.649 0.773 -1.281
14 HD2 HIS 33 HD2 HIS 33 15.461 0.351 -0.652
15 HE1 HIS 33 HE1 HIS 33 14.118 2.893 2.428
16 HE2 HIS 33 HE2 HIS 33 16.097 1.554 1.496
17 H THR 34 H THR 34 12.120 -1.468 0.319
18 HA THR 34 HA THR 34 10.927 -3.868 -0.730
19 HB THR 34 HB THR 34 10.416 -2.626 1.988
20 HG1 THR 34 HG1 THR 34 12.759 -4.080 1.365
21 HG21 THR 34 HG21 THR 34 10.779 -5.093 2.602
22 HG22 THR 34 HG22 THR 34 10.649 -5.416 0.851
23 HG23 THR 34 HG23 THR 34 9.318 -4.622 1.711
24 H THR 35 H THR 35 9.696 -2.764 -2.322
25 HA THR 35 HA THR 35 7.520 -0.893 -1.663
26 HB THR 35 HB THR 35 7.237 -0.935 -4.154
27 HG1 THR 35 HG1 THR 35 8.362 -3.070 -4.371
28 HG21 THR 35 HG21 THR 35 10.008 -0.228 -3.081
29 HG22 THR 35 HG22 THR 35 8.553 0.790 -3.008
30 HG23 THR 35 HG23 THR 35 9.287 0.385 -4.556
31 H CYS 36 H CYS 36 5.218 -1.337 -2.386
32 HA CYS 36 HA CYS 36 4.513 -4.027 -1.703
33 HB2 CYS 36 HB2 CYS 36 3.100 -1.778 -1.955
34 HB3 CYS 36 HB3 CYS 36 3.234 -1.995 -3.600
35 H GLY 37 H GLY 37 4.207 -5.850 -3.234
36 HA2 GLY 37 HA2 GLY 37 5.557 -6.377 -5.370
37 HA3 GLY 37 HA3 GLY 37 3.935 -7.026 -5.165
38 H CYS 38 H CYS 38 2.697 -4.365 -5.571
39 HA CYS 38 HA CYS 38 2.297 -4.455 -8.425
40 HB2 CYS 38 HB2 CYS 38 1.025 -2.445 -8.112
41 HB3 CYS 38 HB3 CYS 38 0.698 -3.607 -6.852
42 H GLY 39 H GLY 39 4.989 -3.335 -6.718
43 HA2 GLY 39 HA2 GLY 39 6.851 -2.240 -7.310
44 HA3 GLY 39 HA3 GLY 39 6.108 -1.774 -8.857
45 H GLU 40 H GLU 40 5.024 -1.095 -5.379
46 HA GLU 40 HA GLU 40 5.624 1.734 -5.809
47 HB2 GLU 40 HB2 GLU 40 3.456 1.510 -6.955
48 HB3 GLU 40 HB3 GLU 40 2.748 0.791 -5.496
49 HG2 GLU 40 HG2 GLU 40 2.967 2.776 -4.243
50 HG3 GLU 40 HG3 GLU 40 4.022 3.504 -5.468
51 H HIS 41 H HIS 41 6.219 2.577 -3.992
52 HA HIS 41 HA HIS 41 6.597 1.426 -1.520
53 HB2 HIS 41 HB2 HIS 41 6.512 4.193 -2.697
54 HB3 HIS 41 HB3 HIS 41 6.261 4.089 -0.970
55 HD1 HIS 41 HD1 HIS 41 9.141 3.452 -3.534
56 HD2 HIS 41 HD2 HIS 41 8.251 3.412 0.611
57 HE1 HIS 41 HE1 HIS 41 11.328 2.993 -2.268
58 H CYS 42 H CYS 42 5.156 0.754 0.097
59 HA CYS 42 HA CYS 42 2.868 2.333 0.729
60 HB2 CYS 42 HB2 CYS 42 2.264 1.114 -1.341
61 HB3 CYS 42 HB3 CYS 42 2.621 -0.302 -0.538
62 H GLY 43 H GLY 43 1.794 1.302 2.763
63 HA2 GLY 43 HA2 GLY 43 3.788 0.339 4.517
64 HA3 GLY 43 HA3 GLY 43 2.084 0.543 4.861
65 H CYS 44 H CYS 44 1.688 -1.423 2.648
66 HA CYS 44 HA CYS 44 1.418 -3.725 4.460
67 HB2 CYS 44 HB2 CYS 44 0.172 -4.807 2.831
68 HB3 CYS 44 HB3 CYS 44 0.091 -3.133 2.246
69 H ASN 45 H ASN 45 4.142 -2.522 2.929
70 HA ASN 45 HA ASN 45 5.638 -4.981 3.282
71 HB2 ASN 45 HB2 ASN 45 4.898 -4.458 0.724
72 HB3 ASN 45 HB3 ASN 45 6.400 -3.486 0.771
73 HD21 ASN 45 HD21 ASN 45 7.921 -4.668 -0.269
74 HD22 ASN 45 HD22 ASN 45 8.106 -6.369 -0.059
75 HA PRO 46 HA PRO 46 7.241 -1.076 5.161
76 HB2 PRO 46 HB2 PRO 46 8.648 -2.240 7.241
77 HB3 PRO 46 HB3 PRO 46 6.899 -1.871 7.298
78 HG2 PRO 46 HG2 PRO 46 8.243 -4.499 6.638
79 HG3 PRO 46 HG3 PRO 46 6.832 -4.213 7.715
80 HD2 PRO 46 HD2 PRO 46 6.554 -5.089 5.142
81 HD3 PRO 46 HD3 PRO 46 5.373 -3.955 5.836
82 H CYS 47 H CYS 47 9.217 -0.086 4.889
83 HA CYS 47 HA CYS 47 11.521 -1.643 3.856
84 HB2 CYS 47 HB2 CYS 47 11.969 0.410 2.511
85 HB3 CYS 47 HB3 CYS 47 10.527 -0.456 1.977
86 H ALA 48 H ALA 48 13.529 -0.389 4.033
87 HA ALA 48 HA ALA 48 14.185 0.500 6.543
88 HB1 ALA 48 HB1 ALA 48 15.774 -0.283 4.849
89 HB2 ALA 48 HB2 ALA 48 15.476 1.173 3.871
90 HB3 ALA 48 HB3 ALA 48 16.261 1.323 5.447
91 H CYS 49 H CYS 49 12.373 2.295 4.386
92 HA CYS 49 HA CYS 49 12.995 4.867 5.731
93 HB2 CYS 49 HB2 CYS 49 12.953 6.075 3.862
94 HB3 CYS 49 HB3 CYS 49 13.742 4.634 3.303
95 H GLY 50 H GLY 50 10.675 2.507 5.349
96 HA2 GLY 50 HA2 GLY 50 8.455 2.266 5.702
97 HA3 GLY 50 HA3 GLY 50 8.691 3.554 6.861
98 H ARG 51 H ARG 51 9.183 4.658 3.770
99 HA ARG 51 HA ARG 51 7.001 6.484 3.833
100 HB2 ARG 51 HB2 ARG 51 9.113 7.066 2.881
101 HB3 ARG 51 HB3 ARG 51 9.073 5.729 1.756
102 HG2 ARG 51 HG2 ARG 51 6.967 7.858 1.414
103 HG3 ARG 51 HG3 ARG 51 8.611 8.181 0.909
104 HD2 ARG 51 HD2 ARG 51 8.650 6.161 -0.503
105 HD3 ARG 51 HD3 ARG 51 7.031 5.740 0.032
106 HE ARG 51 HE ARG 51 6.120 7.142 -1.506
107 HH11 ARG 51 HH11 ARG 51 9.550 8.026 -1.139
108 HH12 ARG 51 HH12 ARG 51 9.516 9.148 -2.455
109 HH21 ARG 51 HH21 ARG 51 6.229 8.154 -3.426
110 HH22 ARG 51 HH22 ARG 51 7.554 9.175 -3.881
111 H GLU 52 H GLU 52 5.391 6.862 2.480
112 HA GLU 52 HA GLU 52 4.506 5.576 0.239
113 HB2 GLU 52 HB2 GLU 52 2.621 4.453 0.777
114 HB3 GLU 52 HB3 GLU 52 3.850 3.795 1.857
115 HG2 GLU 52 HG2 GLU 52 2.816 5.134 3.713
116 HG3 GLU 52 HG3 GLU 52 1.508 5.569 2.591
117 H GLY 53 H GLY 53 2.626 6.840 -0.559
118 HA2 GLY 53 HA2 GLY 53 2.894 9.601 0.330
119 HA3 GLY 53 HA3 GLY 53 2.010 8.983 -1.062
120 H THR 54 H THR 54 0.408 10.456 -0.437
121 HA THR 54 HA THR 54 -1.060 10.378 1.983
122 HB THR 54 HB THR 54 -1.871 11.355 -0.783
123 HG1 THR 54 HG1 THR 54 -0.911 12.960 1.319
124 HG21 THR 54 HG21 THR 54 -3.831 11.224 0.707
125 HG22 THR 54 HG22 THR 54 -3.372 12.898 0.411
126 HG23 THR 54 HG23 THR 54 -2.967 12.125 1.962
127 HA PRO 55 HA PRO 55 -3.201 6.566 1.171
128 HB2 PRO 55 HB2 PRO 55 -5.192 6.808 3.072
129 HB3 PRO 55 HB3 PRO 55 -3.508 6.311 3.388
130 HG2 PRO 55 HG2 PRO 55 -4.745 9.054 3.719
131 HG3 PRO 55 HG3 PRO 55 -3.641 8.189 4.845
132 HD2 PRO 55 HD2 PRO 55 -2.744 10.065 3.182
133 HD3 PRO 55 HD3 PRO 55 -1.774 8.601 3.530
134 H SER 56 H SER 56 -5.274 5.782 0.290
135 HA SER 56 HA SER 56 -6.436 7.513 -1.572
136 HB2 SER 56 HB2 SER 56 -7.964 5.454 -1.796
137 HB3 SER 56 HB3 SER 56 -6.219 5.216 -1.996
138 HG SER 56 HG SER 56 -6.715 3.633 -0.721
139 H GLY 57 H GLY 57 -7.470 6.447 1.628
140 HA2 GLY 57 HA2 GLY 57 -9.103 7.126 3.067
141 HA3 GLY 57 HA3 GLY 57 -9.355 8.549 2.047
142 H ARG 58 H ARG 58 -10.407 7.958 -0.041
143 HA ARG 58 HA ARG 58 -13.083 7.029 0.337
144 HB2 ARG 58 HB2 ARG 58 -11.601 7.790 -2.229
145 HB3 ARG 58 HB3 ARG 58 -13.356 7.657 -2.027
146 HG2 ARG 58 HG2 ARG 58 -13.179 9.387 -0.178
147 HG3 ARG 58 HG3 ARG 58 -11.500 9.648 -0.667
148 HD2 ARG 58 HD2 ARG 58 -12.962 11.349 -1.613
149 HD3 ARG 58 HD3 ARG 58 -12.185 10.388 -2.876
150 HE ARG 58 HE ARG 58 -14.222 9.701 -3.603
151 HH11 ARG 58 HH11 ARG 58 -14.743 10.942 -0.273
152 HH12 ARG 58 HH12 ARG 58 -16.452 10.867 -0.401
153 HH21 ARG 58 HH21 ARG 58 -16.428 9.547 -3.728
154 HH22 ARG 58 HH22 ARG 58 -17.467 10.042 -2.418
155 H ALA 59 H ALA 59 -10.943 4.918 0.577
156 HA ALA 59 HA ALA 59 -12.207 2.939 -1.216
157 HB1 ALA 59 HB1 ALA 59 -9.260 3.232 -0.647
158 HB2 ALA 59 HB2 ALA 59 -9.997 1.923 -1.600
159 HB3 ALA 59 HB3 ALA 59 -10.051 3.599 -2.204
160 H ASN 60 H ASN 60 -11.852 3.833 1.809
161 HA ASN 60 HA ASN 60 -11.768 2.983 3.900
162 HB2 ASN 60 HB2 ASN 60 -13.347 1.200 4.371
163 HB3 ASN 60 HB3 ASN 60 -14.001 2.361 3.232
164 HD21 ASN 60 HD21 ASN 60 -14.447 1.676 1.082
165 HD22 ASN 60 HD22 ASN 60 -14.299 -0.025 0.602
166 H ARG 61 H ARG 61 -9.502 1.980 2.171
167 HA ARG 61 HA ARG 61 -8.759 -0.608 3.231
168 HB2 ARG 61 HB2 ARG 61 -6.883 1.486 2.014
169 HB3 ARG 61 HB3 ARG 61 -6.600 -0.250 2.097
170 HG2 ARG 61 HG2 ARG 61 -9.034 -0.153 0.791
171 HG3 ARG 61 HG3 ARG 61 -8.300 1.380 0.294
172 HD2 ARG 61 HD2 ARG 61 -6.435 0.115 -0.710
173 HD3 ARG 61 HD3 ARG 61 -7.177 -1.402 -0.171
174 HE ARG 61 HE ARG 61 -8.020 0.366 -2.359
175 HH11 ARG 61 HH11 ARG 61 -8.831 -2.594 -0.524
176 HH12 ARG 61 HH12 ARG 61 -10.162 -2.982 -1.547
177 HH21 ARG 61 HH21 ARG 61 -10.142 -0.021 -3.425
178 HH22 ARG 61 HH22 ARG 61 -10.798 -1.589 -3.277
179 H ARG 62 H ARG 62 -6.162 -0.388 4.213
180 HA ARG 62 HA ARG 62 -6.590 0.243 6.853
181 HB2 ARG 62 HB2 ARG 62 -4.516 -0.840 5.094
182 HB3 ARG 62 HB3 ARG 62 -3.749 0.090 6.326
183 HG2 ARG 62 HG2 ARG 62 -5.611 -2.265 6.783
184 HG3 ARG 62 HG3 ARG 62 -3.869 -2.143 7.122
185 HD2 ARG 62 HD2 ARG 62 -4.490 -0.182 8.680
186 HD3 ARG 62 HD3 ARG 62 -6.165 -0.735 8.516
187 HE ARG 62 HE ARG 62 -5.164 -3.011 9.269
188 HH11 ARG 62 HH11 ARG 62 -4.859 0.240 10.753
189 HH12 ARG 62 HH12 ARG 62 -4.165 -0.381 12.213
190 HH21 ARG 62 HH21 ARG 62 -4.482 -3.803 11.327
191 HH22 ARG 62 HH22 ARG 62 -4.225 -2.693 12.615
192 H ALA 63 H ALA 63 -6.873 2.613 5.226
193 HA ALA 63 HA ALA 63 -6.508 4.814 5.114
194 HB1 ALA 63 HB1 ALA 63 -6.524 5.906 7.294
195 HB2 ALA 63 HB2 ALA 63 -7.408 4.378 7.461
196 HB3 ALA 63 HB3 ALA 63 -5.732 4.501 8.039
197 H ASN 64 H ASN 64 -4.089 3.140 4.876
198 HA ASN 64 HA ASN 64 -2.108 5.396 4.812
199 HB2 ASN 64 HB2 ASN 64 -1.950 2.708 6.124
200 HB3 ASN 64 HB3 ASN 64 -0.579 3.116 5.104
201 HD21 ASN 64 HD21 ASN 64 -1.605 3.341 8.262
202 HD22 ASN 64 HD22 ASN 64 -0.901 4.878 8.657
203 H CYS 65 H CYS 65 -3.596 2.627 3.254
204 HA CYS 65 HA CYS 65 -1.455 2.110 1.433
205 HB2 CYS 65 HB2 CYS 65 -3.218 0.495 1.829
206 HB3 CYS 65 HB3 CYS 65 -4.376 1.579 1.079
207 H SER 66 H SER 66 -0.828 4.200 0.726
208 HA SER 66 HA SER 66 -2.487 5.853 -0.959
209 HB2 SER 66 HB2 SER 66 -0.600 6.648 0.327
210 HB3 SER 66 HB3 SER 66 0.562 5.776 -0.662
211 HG SER 66 HG SER 66 -1.059 7.947 -1.326
212 H CYS 67 H CYS 67 -0.798 3.016 -1.536
213 HA CYS 67 HA CYS 67 -0.545 3.406 -4.498
214 HB2 CYS 67 HB2 CYS 67 0.407 1.352 -4.752
215 HB3 CYS 67 HB3 CYS 67 1.021 1.799 -3.177
216 H GLY 68 H GLY 68 -2.255 2.751 -6.160
217 HA2 GLY 68 HA2 GLY 68 -4.398 1.025 -5.092
218 HA3 GLY 68 HA3 GLY 68 -4.712 2.626 -5.789
219 H ALA 69 H ALA 69 -3.520 3.063 -7.855
220 HA ALA 69 HA ALA 69 -4.330 1.975 -9.995
221 HB1 ALA 69 HB1 ALA 69 -2.395 2.736 -11.208
222 HB2 ALA 69 HB2 ALA 69 -2.753 3.857 -9.895
223 HB3 ALA 69 HB3 ALA 69 -1.404 2.695 -9.744
224 H ALA 70 H ALA 70 -4.552 0.318 -10.652
225 HA ALA 70 HA ALA 70 -4.774 -2.031 -10.966
226 HB1 ALA 70 HB1 ALA 70 -2.248 -1.336 -12.516
227 HB2 ALA 70 HB2 ALA 70 -3.375 -2.675 -12.835
228 HB3 ALA 70 HB3 ALA 70 -3.924 -1.014 -13.033
229 H CYS 71 H CYS 71 -3.969 -1.941 -8.494
230 HA CYS 71 HA CYS 71 -1.577 -3.665 -8.205
231 HB2 CYS 71 HB2 CYS 71 -1.664 -1.613 -6.939
232 HB3 CYS 71 HB3 CYS 71 -3.180 -2.111 -6.182
233 H ASN 72 H ASN 72 -1.929 -5.823 -8.196
234 HA ASN 72 HA ASN 72 -4.541 -6.876 -7.193
235 HB2 ASN 72 HB2 ASN 72 -2.200 -8.294 -8.604
236 HB3 ASN 72 HB3 ASN 72 -3.734 -9.043 -8.171
237 HD21 ASN 72 HD21 ASN 72 -2.377 -8.440 -10.922
238 HD22 ASN 72 HD22 ASN 72 -3.629 -7.629 -11.804
239 H CYS 73 H CYS 73 -1.997 -5.938 -5.601
240 HA CYS 73 HA CYS 73 -1.082 -8.190 -4.091
241 HB2 CYS 73 HB2 CYS 73 0.030 -6.106 -3.957
242 HB3 CYS 73 HB3 CYS 73 -1.443 -5.271 -3.520
243 H ALA 74 H ALA 74 -2.624 -9.605 -3.086
244 HA ALA 74 HA ALA 74 -5.078 -8.864 -2.012
245 HB1 ALA 74 HB1 ALA 74 -4.221 -11.211 -2.386
246 HB2 ALA 74 HB2 ALA 74 -3.330 -11.076 -0.858
247 HB3 ALA 74 HB3 ALA 74 -5.084 -10.951 -0.853
248 H SER 75 H SER 75 -1.832 -8.704 -0.405
249 HA SER 75 HA SER 75 -2.708 -8.130 2.179
250 HB2 SER 75 HB2 SER 75 -0.351 -8.610 1.326
251 HB3 SER 75 HB3 SER 75 -0.275 -6.898 0.861
252 HG SER 75 HG SER 75 -0.791 -7.761 3.470
253 H CYS 76 H CYS 76 -3.159 -6.231 -0.622
254 HA CYS 76 HA CYS 76 -3.736 -3.776 1.035
255 HB2 CYS 76 HB2 CYS 76 -2.795 -4.194 -1.782
256 HB3 CYS 76 HB3 CYS 76 -3.656 -2.766 -1.312
257 H GLY 77 H GLY 77 -4.961 -6.027 -1.686
258 HA2 GLY 77 HA2 GLY 77 -7.293 -4.517 -2.130
259 HA3 GLY 77 HA3 GLY 77 -6.996 -6.199 -2.543
260 H SER 78 H SER 78 -6.575 -7.094 0.359
261 HA SER 78 HA SER 78 -9.083 -7.949 0.953
262 HB2 SER 78 HB2 SER 78 -6.903 -7.180 2.940
263 HB3 SER 78 HB3 SER 78 -8.323 -8.162 3.295
264 HG SER 78 HG SER 78 -6.825 -9.573 2.934
265 H ALA 79 H ALA 79 -7.607 -4.973 2.349
266 HA ALA 79 HA ALA 79 -8.510 -3.290 3.611
267 HB1 ALA 79 HB1 ALA 79 -8.869 -2.493 1.393
268 HB2 ALA 79 HB2 ALA 79 -10.396 -3.404 1.240
269 HB3 ALA 79 HB3 ALA 79 -10.286 -2.043 2.370
270 H THR 80 H THR 80 -9.013 -5.408 4.953
271 HA THR 80 HA THR 80 -10.343 -6.620 6.346
272 HB THR 80 HB THR 80 -11.782 -4.968 7.792
273 HG1 THR 80 HG1 THR 80 -11.907 -3.198 6.552
274 HG21 THR 80 HG21 THR 80 -9.801 -4.299 8.944
275 HG22 THR 80 HG22 THR 80 -8.784 -4.607 7.502
276 HG23 THR 80 HG23 THR 80 -9.587 -5.938 8.343
277 H ALA 81 H ALA 81 -11.596 -6.425 3.605
278 HA ALA 81 HA ALA 81 -13.343 -7.490 2.632
279 HB1 ALA 81 HB1 ALA 81 -15.078 -8.647 3.802
280 HB2 ALA 81 HB2 ALA 81 -13.622 -8.899 4.764
281 HB3 ALA 81 HB3 ALA 81 -14.855 -7.714 5.268
282 HA PRO 82 HA PRO 82 -15.586 -3.837 1.900
283 HB2 PRO 82 HB2 PRO 82 -17.872 -4.620 0.567
284 HB3 PRO 82 HB3 PRO 82 -16.221 -4.744 -0.096
285 HG2 PRO 82 HG2 PRO 82 -17.835 -6.906 1.291
286 HG3 PRO 82 HG3 PRO 82 -16.929 -7.002 -0.260
287 HD2 PRO 82 HD2 PRO 82 -15.890 -7.887 2.055
288 HD3 PRO 82 HD3 PRO 82 -14.871 -7.104 0.814
289 H GLY 83 H GLY 83 -16.354 -5.313 4.627
290 HA2 GLY 83 HA2 GLY 83 -18.775 -3.649 5.157
291 HA3 GLY 83 HA3 GLY 83 -18.607 -5.296 5.780
Start of MODEL 17
1 H1 GLY 31 H GLY 31 19.290 0.945 -2.694
2 HA2 GLY 31 HA2 GLY 31 19.083 1.906 -5.002
3 HA3 GLY 31 HA3 GLY 31 19.279 0.248 -5.574
4 H GLU 32 H GLU 32 17.610 -1.379 -4.761
5 HA GLU 32 HA GLU 32 14.946 -0.248 -5.076
6 HB2 GLU 32 HB2 GLU 32 15.943 -3.096 -4.633
7 HB3 GLU 32 HB3 GLU 32 14.272 -2.633 -5.020
8 HG2 GLU 32 HG2 GLU 32 15.068 -1.560 -7.123
9 HG3 GLU 32 HG3 GLU 32 16.711 -2.117 -6.786
10 H HIS 33 H HIS 33 13.251 -0.273 -3.585
11 HA HIS 33 HA HIS 33 13.984 -0.778 -0.753
12 HB2 HIS 33 HB2 HIS 33 12.864 1.557 -1.995
13 HB3 HIS 33 HB3 HIS 33 11.655 0.849 -0.937
14 HD2 HIS 33 HD2 HIS 33 15.421 0.641 -0.153
15 HE1 HIS 33 HE1 HIS 33 13.872 3.482 2.550
16 HE2 HIS 33 HE2 HIS 33 15.941 2.188 1.859
17 H THR 34 H THR 34 12.095 -1.386 0.652
18 HA THR 34 HA THR 34 10.810 -3.650 -0.635
19 HB THR 34 HB THR 34 10.113 -2.534 2.081
20 HG1 THR 34 HG1 THR 34 12.485 -3.882 1.268
21 HG21 THR 34 HG21 THR 34 10.305 -5.341 0.948
22 HG22 THR 34 HG22 THR 34 8.875 -4.458 1.524
23 HG23 THR 34 HG23 THR 34 10.106 -4.965 2.672
24 H THR 35 H THR 35 9.056 -3.329 -1.924
25 HA THR 35 HA THR 35 7.168 -1.166 -1.211
26 HB THR 35 HB THR 35 7.007 -0.728 -3.753
27 HG1 THR 35 HG1 THR 35 8.295 -2.480 -4.520
28 HG21 THR 35 HG21 THR 35 8.276 0.690 -1.953
29 HG22 THR 35 HG22 THR 35 8.734 0.914 -3.653
30 HG23 THR 35 HG23 THR 35 9.752 -0.052 -2.581
31 H CYS 36 H CYS 36 5.168 -1.342 -2.407
32 HA CYS 36 HA CYS 36 4.198 -4.000 -2.168
33 HB2 CYS 36 HB2 CYS 36 3.019 -1.689 -2.233
34 HB3 CYS 36 HB3 CYS 36 3.123 -1.777 -3.928
35 H GLY 37 H GLY 37 4.308 -5.680 -3.638
36 HA2 GLY 37 HA2 GLY 37 5.941 -5.887 -5.738
37 HA3 GLY 37 HA3 GLY 37 4.442 -6.830 -5.595
38 H CYS 38 H CYS 38 2.816 -4.240 -5.912
39 HA CYS 38 HA CYS 38 2.557 -4.418 -8.772
40 HB2 CYS 38 HB2 CYS 38 0.945 -2.681 -8.564
41 HB3 CYS 38 HB3 CYS 38 0.736 -3.800 -7.327
42 H GLY 39 H GLY 39 4.906 -2.785 -6.886
43 HA2 GLY 39 HA2 GLY 39 6.675 -1.528 -7.481
44 HA3 GLY 39 HA3 GLY 39 5.904 -1.093 -9.027
45 H GLU 40 H GLU 40 5.041 -0.767 -5.485
46 HA GLU 40 HA GLU 40 4.882 2.156 -5.808
47 HB2 GLU 40 HB2 GLU 40 2.741 1.154 -6.586
48 HB3 GLU 40 HB3 GLU 40 2.640 0.243 -5.083
49 HG2 GLU 40 HG2 GLU 40 1.163 1.836 -4.775
50 HG3 GLU 40 HG3 GLU 40 2.489 2.480 -3.881
51 H HIS 41 H HIS 41 5.791 2.979 -3.964
52 HA HIS 41 HA HIS 41 6.344 1.554 -1.581
53 HB2 HIS 41 HB2 HIS 41 6.406 4.371 -2.616
54 HB3 HIS 41 HB3 HIS 41 6.123 4.232 -0.891
55 HD1 HIS 41 HD1 HIS 41 8.915 3.208 -3.480
56 HD2 HIS 41 HD2 HIS 41 8.156 3.730 0.645
57 HE1 HIS 41 HE1 HIS 41 11.104 2.813 -2.251
58 H CYS 42 H CYS 42 4.839 0.861 -0.048
59 HA CYS 42 HA CYS 42 2.345 2.335 0.340
60 HB2 CYS 42 HB2 CYS 42 1.940 0.778 -1.547
61 HB3 CYS 42 HB3 CYS 42 2.385 -0.579 -0.503
62 H GLY 43 H GLY 43 1.473 1.852 2.417
63 HA2 GLY 43 HA2 GLY 43 3.293 1.199 4.421
64 HA3 GLY 43 HA3 GLY 43 1.556 1.331 4.621
65 H CYS 44 H CYS 44 1.956 -0.991 2.471
66 HA CYS 44 HA CYS 44 1.551 -3.235 4.361
67 HB2 CYS 44 HB2 CYS 44 0.574 -4.363 2.536
68 HB3 CYS 44 HB3 CYS 44 -0.011 -2.689 2.483
69 H ASN 45 H ASN 45 4.221 -1.807 3.075
70 HA ASN 45 HA ASN 45 5.793 -4.284 3.050
71 HB2 ASN 45 HB2 ASN 45 5.459 -2.297 0.804
72 HB3 ASN 45 HB3 ASN 45 7.044 -2.975 1.116
73 HD21 ASN 45 HD21 ASN 45 7.463 -5.165 0.793
74 HD22 ASN 45 HD22 ASN 45 6.591 -5.919 -0.495
75 HA PRO 46 HA PRO 46 7.291 -0.742 5.633
76 HB2 PRO 46 HB2 PRO 46 8.704 -2.229 7.459
77 HB3 PRO 46 HB3 PRO 46 6.940 -1.919 7.586
78 HG2 PRO 46 HG2 PRO 46 8.338 -4.368 6.496
79 HG3 PRO 46 HG3 PRO 46 6.931 -4.302 7.595
80 HD2 PRO 46 HD2 PRO 46 6.680 -4.711 4.915
81 HD3 PRO 46 HD3 PRO 46 5.456 -3.758 5.809
82 H CYS 47 H CYS 47 9.185 0.271 5.111
83 HA CYS 47 HA CYS 47 11.447 -1.259 3.960
84 HB2 CYS 47 HB2 CYS 47 11.736 0.651 2.410
85 HB3 CYS 47 HB3 CYS 47 10.263 -0.259 2.076
86 H ALA 48 H ALA 48 13.456 0.066 4.081
87 HA ALA 48 HA ALA 48 13.976 1.103 6.588
88 HB1 ALA 48 HB1 ALA 48 16.080 1.924 5.666
89 HB2 ALA 48 HB2 ALA 48 15.678 0.345 5.009
90 HB3 ALA 48 HB3 ALA 48 15.439 1.815 4.026
91 H CYS 49 H CYS 49 12.156 2.791 4.336
92 HA CYS 49 HA CYS 49 12.669 5.395 5.697
93 HB2 CYS 49 HB2 CYS 49 12.358 6.607 3.816
94 HB3 CYS 49 HB3 CYS 49 13.320 5.259 3.278
95 H GLY 50 H GLY 50 10.465 2.852 5.171
96 HA2 GLY 50 HA2 GLY 50 8.341 2.430 5.699
97 HA3 GLY 50 HA3 GLY 50 8.507 3.711 6.876
98 H ARG 51 H ARG 51 8.900 4.896 3.742
99 HA ARG 51 HA ARG 51 6.605 6.562 3.895
100 HB2 ARG 51 HB2 ARG 51 8.813 6.970 2.590
101 HB3 ARG 51 HB3 ARG 51 8.160 5.921 1.353
102 HG2 ARG 51 HG2 ARG 51 6.061 7.645 1.576
103 HG3 ARG 51 HG3 ARG 51 7.303 8.676 2.259
104 HD2 ARG 51 HD2 ARG 51 8.646 8.292 0.140
105 HD3 ARG 51 HD3 ARG 51 7.245 7.410 -0.522
106 HE ARG 51 HE ARG 51 6.602 10.056 0.526
107 HH11 ARG 51 HH11 ARG 51 7.971 8.488 -2.375
108 HH12 ARG 51 HH12 ARG 51 7.858 9.933 -3.321
109 HH21 ARG 51 HH21 ARG 51 6.104 11.793 -0.856
110 HH22 ARG 51 HH22 ARG 51 6.651 11.790 -2.489
111 H GLU 52 H GLU 52 4.510 6.016 3.683
112 HA GLU 52 HA GLU 52 3.953 3.738 1.912
113 HB2 GLU 52 HB2 GLU 52 1.574 3.993 2.500
114 HB3 GLU 52 HB3 GLU 52 2.655 3.588 3.802
115 HG2 GLU 52 HG2 GLU 52 1.846 6.462 3.343
116 HG3 GLU 52 HG3 GLU 52 0.775 5.330 4.214
117 H GLY 53 H GLY 53 4.231 7.039 1.535
118 HA2 GLY 53 HA2 GLY 53 4.164 8.253 -0.489
119 HA3 GLY 53 HA3 GLY 53 3.552 6.826 -1.297
120 H THR 54 H THR 54 2.184 8.586 1.413
121 HA THR 54 HA THR 54 0.281 9.513 1.934
122 HB THR 54 HB THR 54 0.718 10.520 -0.777
123 HG1 THR 54 HG1 THR 54 1.420 12.201 0.380
124 HG21 THR 54 HG21 THR 54 -1.003 12.287 -0.307
125 HG22 THR 54 HG22 THR 54 -1.511 11.396 1.150
126 HG23 THR 54 HG23 THR 54 -1.761 10.711 -0.464
127 HA PRO 55 HA PRO 55 -2.271 6.025 0.752
128 HB2 PRO 55 HB2 PRO 55 -3.428 5.566 3.089
129 HB3 PRO 55 HB3 PRO 55 -1.689 5.221 2.777
130 HG2 PRO 55 HG2 PRO 55 -2.826 7.664 4.182
131 HG3 PRO 55 HG3 PRO 55 -1.507 6.573 4.737
132 HD2 PRO 55 HD2 PRO 55 -1.101 8.894 3.346
133 HD3 PRO 55 HD3 PRO 55 -0.008 7.491 3.194
134 H SER 56 H SER 56 -4.348 5.911 -0.082
135 HA SER 56 HA SER 56 -5.913 8.361 0.015
136 HB2 SER 56 HB2 SER 56 -5.537 6.852 -2.026
137 HB3 SER 56 HB3 SER 56 -6.782 5.795 -1.307
138 HG SER 56 HG SER 56 -7.435 7.549 -2.816
139 H GLY 57 H GLY 57 -6.694 8.669 2.052
140 HA2 GLY 57 HA2 GLY 57 -7.952 6.526 3.577
141 HA3 GLY 57 HA3 GLY 57 -7.860 8.241 4.001
142 H ARG 58 H ARG 58 -8.972 8.572 1.004
143 HA ARG 58 HA ARG 58 -11.777 8.803 1.847
144 HB2 ARG 58 HB2 ARG 58 -10.418 9.419 -0.813
145 HB3 ARG 58 HB3 ARG 58 -12.080 9.828 -0.422
146 HG2 ARG 58 HG2 ARG 58 -9.674 10.976 1.054
147 HG3 ARG 58 HG3 ARG 58 -10.474 11.716 -0.322
148 HD2 ARG 58 HD2 ARG 58 -11.375 12.831 1.522
149 HD3 ARG 58 HD3 ARG 58 -12.640 11.705 1.014
150 HE ARG 58 HE ARG 58 -10.839 10.674 3.074
151 HH11 ARG 58 HH11 ARG 58 -13.532 12.967 2.732
152 HH12 ARG 58 HH12 ARG 58 -14.149 12.661 4.322
153 HH21 ARG 58 HH21 ARG 58 -11.807 10.133 5.105
154 HH22 ARG 58 HH22 ARG 58 -13.214 10.980 5.649
155 H ALA 59 H ALA 59 -10.612 6.015 1.590
156 HA ALA 59 HA ALA 59 -12.772 4.873 0.005
157 HB1 ALA 59 HB1 ALA 59 -9.834 4.318 -0.629
158 HB2 ALA 59 HB2 ALA 59 -11.214 3.369 -1.242
159 HB3 ALA 59 HB3 ALA 59 -11.033 5.064 -1.714
160 H ASN 60 H ASN 60 -12.969 2.595 0.497
161 HA ASN 60 HA ASN 60 -12.781 1.875 3.174
162 HB2 ASN 60 HB2 ASN 60 -13.445 -0.388 2.385
163 HB3 ASN 60 HB3 ASN 60 -14.394 0.879 1.661
164 HD21 ASN 60 HD21 ASN 60 -14.487 0.954 -0.565
165 HD22 ASN 60 HD22 ASN 60 -13.563 -0.082 -1.640
166 H ARG 61 H ARG 61 -9.998 2.194 1.552
167 HA ARG 61 HA ARG 61 -8.749 -0.382 2.159
168 HB2 ARG 61 HB2 ARG 61 -7.183 2.167 1.668
169 HB3 ARG 61 HB3 ARG 61 -6.726 0.483 1.342
170 HG2 ARG 61 HG2 ARG 61 -8.678 2.221 -0.219
171 HG3 ARG 61 HG3 ARG 61 -7.109 1.615 -0.742
172 HD2 ARG 61 HD2 ARG 61 -8.079 -0.742 -0.612
173 HD3 ARG 61 HD3 ARG 61 -9.650 -0.006 -0.299
174 HE ARG 61 HE ARG 61 -8.150 0.865 -2.709
175 HH11 ARG 61 HH11 ARG 61 -11.109 -0.761 -1.436
176 HH12 ARG 61 HH12 ARG 61 -11.794 -0.966 -2.985
177 HH21 ARG 61 HH21 ARG 61 -8.990 0.336 -4.801
178 HH22 ARG 61 HH22 ARG 61 -10.629 -0.133 -4.926
179 H ARG 62 H ARG 62 -6.654 -0.222 3.645
180 HA ARG 62 HA ARG 62 -7.506 0.234 6.333
181 HB2 ARG 62 HB2 ARG 62 -5.422 -1.097 4.893
182 HB3 ARG 62 HB3 ARG 62 -4.584 -0.065 5.998
183 HG2 ARG 62 HG2 ARG 62 -4.808 -1.983 7.261
184 HG3 ARG 62 HG3 ARG 62 -6.140 -0.998 7.860
185 HD2 ARG 62 HD2 ARG 62 -7.663 -2.226 6.243
186 HD3 ARG 62 HD3 ARG 62 -6.309 -3.274 5.813
187 HE ARG 62 HE ARG 62 -8.057 -3.485 8.066
188 HH11 ARG 62 HH11 ARG 62 -4.621 -4.078 7.327
189 HH12 ARG 62 HH12 ARG 62 -4.416 -5.088 8.702
190 HH21 ARG 62 HH21 ARG 62 -7.812 -4.897 9.706
191 HH22 ARG 62 HH22 ARG 62 -6.377 -5.779 10.009
192 H ALA 63 H ALA 63 -7.238 2.664 4.610
193 HA ALA 63 HA ALA 63 -6.590 4.868 4.652
194 HB1 ALA 63 HB1 ALA 63 -6.254 4.401 7.636
195 HB2 ALA 63 HB2 ALA 63 -6.461 5.960 6.820
196 HB3 ALA 63 HB3 ALA 63 -7.779 4.781 6.802
197 H ASN 64 H ASN 64 -4.451 2.557 4.889
198 HA ASN 64 HA ASN 64 -2.029 4.281 4.880
199 HB2 ASN 64 HB2 ASN 64 -2.444 1.564 6.150
200 HB3 ASN 64 HB3 ASN 64 -0.853 2.252 5.778
201 HD21 ASN 64 HD21 ASN 64 -3.728 2.633 7.915
202 HD22 ASN 64 HD22 ASN 64 -3.035 3.968 8.795
203 H CYS 65 H CYS 65 -3.973 2.952 2.705
204 HA CYS 65 HA CYS 65 -1.766 1.796 1.081
205 HB2 CYS 65 HB2 CYS 65 -3.670 0.250 1.417
206 HB3 CYS 65 HB3 CYS 65 -4.720 1.445 0.686
207 H SER 66 H SER 66 -0.854 3.390 -0.056
208 HA SER 66 HA SER 66 -2.087 5.706 -1.197
209 HB2 SER 66 HB2 SER 66 0.369 5.826 -1.912
210 HB3 SER 66 HB3 SER 66 0.130 5.516 -0.204
211 HG SER 66 HG SER 66 1.602 4.104 -0.993
212 H CYS 67 H CYS 67 -1.639 2.538 -2.146
213 HA CYS 67 HA CYS 67 -1.264 2.799 -5.011
214 HB2 CYS 67 HB2 CYS 67 -2.891 0.663 -3.670
215 HB3 CYS 67 HB3 CYS 67 -2.229 0.535 -5.253
216 H GLY 68 H GLY 68 -2.954 2.657 -6.814
217 HA2 GLY 68 HA2 GLY 68 -5.759 2.974 -6.009
218 HA3 GLY 68 HA3 GLY 68 -4.939 4.123 -7.083
219 H ALA 69 H ALA 69 -3.388 2.897 -8.645
220 HA ALA 69 HA ALA 69 -4.814 1.413 -10.496
221 HB1 ALA 69 HB1 ALA 69 -1.789 1.354 -10.076
222 HB2 ALA 69 HB2 ALA 69 -2.656 1.114 -11.615
223 HB3 ALA 69 HB3 ALA 69 -2.629 2.705 -10.827
224 H ALA 70 H ALA 70 -4.397 -0.386 -11.282
225 HA ALA 70 HA ALA 70 -5.258 -2.731 -10.467
226 HB1 ALA 70 HB1 ALA 70 -4.781 -2.163 -12.797
227 HB2 ALA 70 HB2 ALA 70 -3.043 -2.381 -12.526
228 HB3 ALA 70 HB3 ALA 70 -4.141 -3.767 -12.424
229 H CYS 71 H CYS 71 -4.218 -2.570 -8.277
230 HA CYS 71 HA CYS 71 -1.678 -3.962 -7.913
231 HB2 CYS 71 HB2 CYS 71 -2.392 -1.906 -6.626
232 HB3 CYS 71 HB3 CYS 71 -3.726 -2.775 -6.029
233 H ASN 72 H ASN 72 -1.822 -6.206 -8.176
234 HA ASN 72 HA ASN 72 -4.043 -7.652 -7.006
235 HB2 ASN 72 HB2 ASN 72 -2.855 -8.392 -9.093
236 HB3 ASN 72 HB3 ASN 72 -1.421 -8.751 -8.111
237 HD21 ASN 72 HD21 ASN 72 -1.409 -11.122 -8.220
238 HD22 ASN 72 HD22 ASN 72 -2.779 -12.011 -7.574
239 H CYS 73 H CYS 73 -1.226 -6.424 -5.555
240 HA CYS 73 HA CYS 73 -0.433 -8.462 -3.729
241 HB2 CYS 73 HB2 CYS 73 0.646 -6.419 -3.422
242 HB3 CYS 73 HB3 CYS 73 -0.887 -5.541 -3.323
243 H ALA 74 H ALA 74 -1.706 -9.869 -2.555
244 HA ALA 74 HA ALA 74 -4.338 -9.597 -1.869
245 HB1 ALA 74 HB1 ALA 74 -3.002 -11.686 -1.755
246 HB2 ALA 74 HB2 ALA 74 -2.222 -11.099 -0.265
247 HB3 ALA 74 HB3 ALA 74 -3.970 -11.399 -0.309
248 H SER 75 H SER 75 -1.521 -8.617 0.102
249 HA SER 75 HA SER 75 -2.939 -7.807 2.422
250 HB2 SER 75 HB2 SER 75 -0.507 -6.386 1.422
251 HB3 SER 75 HB3 SER 75 -1.004 -6.613 3.098
252 HG SER 75 HG SER 75 -0.033 -8.656 1.321
253 H CYS 76 H CYS 76 -3.055 -6.444 -0.682
254 HA CYS 76 HA CYS 76 -4.155 -3.841 0.333
255 HB2 CYS 76 HB2 CYS 76 -2.973 -4.510 -2.378
256 HB3 CYS 76 HB3 CYS 76 -3.914 -3.114 -1.953
257 H GLY 77 H GLY 77 -4.800 -6.823 -1.546
258 HA2 GLY 77 HA2 GLY 77 -7.139 -5.843 -2.890
259 HA3 GLY 77 HA3 GLY 77 -6.602 -7.517 -2.703
260 H SER 78 H SER 78 -6.581 -8.034 -0.023
261 HA SER 78 HA SER 78 -9.373 -8.145 0.621
262 HB2 SER 78 HB2 SER 78 -7.577 -9.875 1.120
263 HB3 SER 78 HB3 SER 78 -7.062 -8.845 2.456
264 HG SER 78 HG SER 78 -8.932 -10.614 2.466
265 H ALA 79 H ALA 79 -10.296 -6.240 1.026
266 HA ALA 79 HA ALA 79 -9.180 -4.343 3.040
267 HB1 ALA 79 HB1 ALA 79 -9.261 -3.372 0.776
268 HB2 ALA 79 HB2 ALA 79 -10.973 -3.835 0.626
269 HB3 ALA 79 HB3 ALA 79 -10.489 -2.627 1.822
270 H THR 80 H THR 80 -11.988 -6.238 1.927
271 HA THR 80 HA THR 80 -13.577 -5.250 4.217
272 HB THR 80 HB THR 80 -15.397 -6.534 2.946
273 HG1 THR 80 HG1 THR 80 -14.040 -7.715 1.581
274 HG21 THR 80 HG21 THR 80 -15.620 -4.652 1.301
275 HG22 THR 80 HG22 THR 80 -13.989 -4.102 1.748
276 HG23 THR 80 HG23 THR 80 -15.284 -4.140 2.956
277 H ALA 81 H ALA 81 -12.568 -6.348 5.949
278 HA ALA 81 HA ALA 81 -13.094 -9.262 6.051
279 HB1 ALA 81 HB1 ALA 81 -10.612 -7.763 7.029
280 HB2 ALA 81 HB2 ALA 81 -10.975 -9.455 7.360
281 HB3 ALA 81 HB3 ALA 81 -10.653 -8.941 5.689
282 HA PRO 82 HA PRO 82 -14.920 -7.838 9.866
283 HB2 PRO 82 HB2 PRO 82 -14.940 -10.068 11.393
284 HB3 PRO 82 HB3 PRO 82 -15.890 -10.006 9.873
285 HG2 PRO 82 HG2 PRO 82 -13.135 -11.208 10.328
286 HG3 PRO 82 HG3 PRO 82 -14.518 -11.959 9.500
287 HD2 PRO 82 HD2 PRO 82 -12.536 -10.706 8.143
288 HD3 PRO 82 HD3 PRO 82 -14.236 -10.654 7.590
289 H GLY 83 H GLY 83 -14.264 -7.266 12.050
290 HA2 GLY 83 HA2 GLY 83 -11.392 -6.928 12.424
291 HA3 GLY 83 HA3 GLY 83 -12.687 -6.405 13.540
Start of MODEL 18
1 H1 GLY 31 H GLY 31 19.260 0.581 -7.359
2 HA2 GLY 31 HA2 GLY 31 19.730 -0.023 -4.491
3 HA3 GLY 31 HA3 GLY 31 19.689 1.617 -5.143
4 H GLU 32 H GLU 32 17.607 -1.349 -5.187
5 HA GLU 32 HA GLU 32 15.120 0.082 -5.479
6 HB2 GLU 32 HB2 GLU 32 14.207 -2.223 -5.269
7 HB3 GLU 32 HB3 GLU 32 15.494 -2.112 -6.462
8 HG2 GLU 32 HG2 GLU 32 17.124 -3.042 -4.791
9 HG3 GLU 32 HG3 GLU 32 15.833 -3.142 -3.599
10 H HIS 33 H HIS 33 13.369 -1.220 -3.679
11 HA HIS 33 HA HIS 33 14.291 -1.013 -0.978
12 HB2 HIS 33 HB2 HIS 33 13.411 1.420 -2.097
13 HB3 HIS 33 HB3 HIS 33 12.012 0.777 -1.229
14 HD2 HIS 33 HD2 HIS 33 15.793 0.541 -0.285
15 HE1 HIS 33 HE1 HIS 33 13.905 2.427 2.964
16 HE2 HIS 33 HE2 HIS 33 16.098 1.547 2.063
17 H THR 34 H THR 34 12.348 -1.622 0.618
18 HA THR 34 HA THR 34 10.806 -3.679 -0.782
19 HB THR 34 HB THR 34 10.075 -2.732 1.961
20 HG1 THR 34 HG1 THR 34 12.565 -3.749 1.197
21 HG21 THR 34 HG21 THR 34 10.433 -5.521 0.840
22 HG22 THR 34 HG22 THR 34 8.938 -4.587 0.812
23 HG23 THR 34 HG23 THR 34 9.664 -5.044 2.363
24 H THR 35 H THR 35 8.988 -3.330 -1.818
25 HA THR 35 HA THR 35 7.280 -1.004 -1.273
26 HB THR 35 HB THR 35 7.113 -0.815 -3.854
27 HG1 THR 35 HG1 THR 35 8.199 -2.617 -4.554
28 HG21 THR 35 HG21 THR 35 8.934 0.742 -3.983
29 HG22 THR 35 HG22 THR 35 9.813 -0.085 -2.669
30 HG23 THR 35 HG23 THR 35 8.303 0.773 -2.327
31 H CYS 36 H CYS 36 5.193 -1.280 -2.414
32 HA CYS 36 HA CYS 36 4.129 -3.874 -1.987
33 HB2 CYS 36 HB2 CYS 36 3.022 -1.525 -2.088
34 HB3 CYS 36 HB3 CYS 36 3.200 -1.669 -3.818
35 H GLY 37 H GLY 37 4.032 -5.610 -3.435
36 HA2 GLY 37 HA2 GLY 37 5.633 -5.924 -5.581
37 HA3 GLY 37 HA3 GLY 37 4.120 -6.799 -5.428
38 H CYS 38 H CYS 38 2.692 -4.041 -5.729
39 HA CYS 38 HA CYS 38 2.246 -4.250 -8.555
40 HB2 CYS 38 HB2 CYS 38 0.696 -2.548 -8.359
41 HB3 CYS 38 HB3 CYS 38 0.488 -3.564 -7.024
42 H GLY 39 H GLY 39 4.710 -2.781 -6.793
43 HA2 GLY 39 HA2 GLY 39 6.581 -1.737 -7.522
44 HA3 GLY 39 HA3 GLY 39 5.762 -1.170 -8.992
45 H GLU 40 H GLU 40 5.127 -0.630 -5.319
46 HA GLU 40 HA GLU 40 5.804 2.084 -5.629
47 HB2 GLU 40 HB2 GLU 40 3.910 2.751 -6.196
48 HB3 GLU 40 HB3 GLU 40 3.178 1.200 -6.324
49 HG2 GLU 40 HG2 GLU 40 3.102 2.493 -3.565
50 HG3 GLU 40 HG3 GLU 40 2.159 3.020 -4.895
51 H HIS 41 H HIS 41 6.003 3.147 -3.661
52 HA HIS 41 HA HIS 41 6.355 1.596 -1.274
53 HB2 HIS 41 HB2 HIS 41 6.650 4.450 -2.152
54 HB3 HIS 41 HB3 HIS 41 6.389 4.174 -0.441
55 HD1 HIS 41 HD1 HIS 41 9.131 3.476 -3.108
56 HD2 HIS 41 HD2 HIS 41 8.239 3.032 0.995
57 HE1 HIS 41 HE1 HIS 41 11.264 2.635 -1.939
58 H CYS 42 H CYS 42 4.723 0.843 -0.033
59 HA CYS 42 HA CYS 42 2.325 2.470 0.454
60 HB2 CYS 42 HB2 CYS 42 2.020 0.902 -1.472
61 HB3 CYS 42 HB3 CYS 42 2.200 -0.448 -0.352
62 H GLY 43 H GLY 43 1.265 1.844 2.446
63 HA2 GLY 43 HA2 GLY 43 3.076 1.169 4.464
64 HA3 GLY 43 HA3 GLY 43 1.350 1.200 4.664
65 H CYS 44 H CYS 44 1.823 -0.984 2.445
66 HA CYS 44 HA CYS 44 1.544 -3.284 4.300
67 HB2 CYS 44 HB2 CYS 44 0.605 -4.448 2.471
68 HB3 CYS 44 HB3 CYS 44 0.021 -2.767 2.351
69 H ASN 45 H ASN 45 4.220 -1.766 3.058
70 HA ASN 45 HA ASN 45 5.709 -4.364 3.001
71 HB2 ASN 45 HB2 ASN 45 5.482 -2.437 0.758
72 HB3 ASN 45 HB3 ASN 45 7.070 -3.110 1.081
73 HD21 ASN 45 HD21 ASN 45 7.430 -5.422 0.913
74 HD22 ASN 45 HD22 ASN 45 6.636 -6.058 -0.467
75 HA PRO 46 HA PRO 46 7.715 -1.306 5.741
76 HB2 PRO 46 HB2 PRO 46 8.917 -3.221 7.391
77 HB3 PRO 46 HB3 PRO 46 7.329 -2.452 7.666
78 HG2 PRO 46 HG2 PRO 46 7.936 -5.142 6.480
79 HG3 PRO 46 HG3 PRO 46 6.586 -4.677 7.552
80 HD2 PRO 46 HD2 PRO 46 6.364 -5.000 4.844
81 HD3 PRO 46 HD3 PRO 46 5.335 -3.821 5.717
82 H CYS 47 H CYS 47 9.641 -0.517 5.377
83 HA CYS 47 HA CYS 47 11.939 -2.028 4.342
84 HB2 CYS 47 HB2 CYS 47 12.270 0.038 2.877
85 HB3 CYS 47 HB3 CYS 47 11.018 -1.029 2.298
86 H ALA 48 H ALA 48 13.854 -0.660 4.708
87 HA ALA 48 HA ALA 48 14.155 0.568 7.119
88 HB1 ALA 48 HB1 ALA 48 15.893 -0.305 5.650
89 HB2 ALA 48 HB2 ALA 48 15.660 1.090 4.542
90 HB3 ALA 48 HB3 ALA 48 16.281 1.329 6.189
91 H CYS 49 H CYS 49 12.318 2.038 4.830
92 HA CYS 49 HA CYS 49 12.883 4.778 5.883
93 HB2 CYS 49 HB2 CYS 49 12.712 5.765 3.877
94 HB3 CYS 49 HB3 CYS 49 13.539 4.298 3.434
95 H GLY 50 H GLY 50 10.642 2.250 5.422
96 HA2 GLY 50 HA2 GLY 50 8.344 2.018 5.584
97 HA3 GLY 50 HA3 GLY 50 8.577 3.107 6.947
98 H ARG 51 H ARG 51 9.031 4.030 3.574
99 HA ARG 51 HA ARG 51 7.157 6.243 3.838
100 HB2 ARG 51 HB2 ARG 51 9.388 6.364 2.648
101 HB3 ARG 51 HB3 ARG 51 8.735 5.326 1.395
102 HG2 ARG 51 HG2 ARG 51 6.993 7.147 0.973
103 HG3 ARG 51 HG3 ARG 51 7.839 8.147 2.162
104 HD2 ARG 51 HD2 ARG 51 8.965 7.035 -0.445
105 HD3 ARG 51 HD3 ARG 51 8.342 8.675 -0.205
106 HE ARG 51 HE ARG 51 10.362 8.195 1.744
107 HH11 ARG 51 HH11 ARG 51 10.035 8.916 -1.718
108 HH12 ARG 51 HH12 ARG 51 11.684 9.404 -1.899
109 HH21 ARG 51 HH21 ARG 51 12.367 8.912 1.579
110 HH22 ARG 51 HH22 ARG 51 13.066 9.531 0.106
111 H GLU 52 H GLU 52 5.423 6.690 2.401
112 HA GLU 52 HA GLU 52 4.335 4.797 0.589
113 HB2 GLU 52 HB2 GLU 52 2.095 4.823 1.836
114 HB3 GLU 52 HB3 GLU 52 3.361 3.752 2.385
115 HG2 GLU 52 HG2 GLU 52 3.924 5.493 4.207
116 HG3 GLU 52 HG3 GLU 52 2.392 6.263 3.761
117 H GLY 53 H GLY 53 2.245 5.975 -0.253
118 HA2 GLY 53 HA2 GLY 53 2.962 8.847 -0.764
119 HA3 GLY 53 HA3 GLY 53 2.045 7.803 -1.862
120 H THR 54 H THR 54 0.518 9.966 -1.458
121 HA THR 54 HA THR 54 -0.769 10.202 1.028
122 HB THR 54 HB THR 54 -2.139 10.742 -1.611
123 HG1 THR 54 HG1 THR 54 -0.259 12.434 -0.306
124 HG21 THR 54 HG21 THR 54 -2.163 12.182 1.090
125 HG22 THR 54 HG22 THR 54 -3.462 11.152 0.451
126 HG23 THR 54 HG23 THR 54 -3.061 12.673 -0.355
127 HA PRO 55 HA PRO 55 -3.013 6.305 0.756
128 HB2 PRO 55 HB2 PRO 55 -4.018 6.271 3.262
129 HB3 PRO 55 HB3 PRO 55 -2.270 6.007 2.944
130 HG2 PRO 55 HG2 PRO 55 -3.670 8.542 3.848
131 HG3 PRO 55 HG3 PRO 55 -2.162 7.824 4.498
132 HD2 PRO 55 HD2 PRO 55 -2.219 9.834 2.634
133 HD3 PRO 55 HD3 PRO 55 -0.913 8.614 2.714
134 H SER 56 H SER 56 -5.127 5.904 0.015
135 HA SER 56 HA SER 56 -7.050 8.111 0.023
136 HB2 SER 56 HB2 SER 56 -6.782 5.430 -1.349
137 HB3 SER 56 HB3 SER 56 -8.384 6.162 -1.179
138 HG SER 56 HG SER 56 -6.113 7.465 -2.318
139 H GLY 57 H GLY 57 -8.163 8.387 1.903
140 HA2 GLY 57 HA2 GLY 57 -8.688 6.203 3.764
141 HA3 GLY 57 HA3 GLY 57 -9.292 7.871 3.846
142 H ARG 58 H ARG 58 -10.297 7.742 1.068
143 HA ARG 58 HA ARG 58 -12.949 6.642 1.622
144 HB2 ARG 58 HB2 ARG 58 -11.761 8.189 -0.707
145 HB3 ARG 58 HB3 ARG 58 -13.354 7.441 -0.857
146 HG2 ARG 58 HG2 ARG 58 -14.178 8.634 1.116
147 HG3 ARG 58 HG3 ARG 58 -12.615 9.393 1.349
148 HD2 ARG 58 HD2 ARG 58 -13.821 11.056 0.255
149 HD3 ARG 58 HD3 ARG 58 -12.894 10.336 -1.056
150 HE ARG 58 HE ARG 58 -14.860 9.496 -2.005
151 HH11 ARG 58 HH11 ARG 58 -15.692 10.925 1.141
152 HH12 ARG 58 HH12 ARG 58 -17.376 10.591 0.988
153 HH21 ARG 58 HH21 ARG 58 -17.005 9.227 -2.278
154 HH22 ARG 58 HH22 ARG 58 -18.158 9.507 -0.999
155 H ALA 59 H ALA 59 -10.339 5.048 0.763
156 HA ALA 59 HA ALA 59 -11.610 3.187 -1.173
157 HB1 ALA 59 HB1 ALA 59 -9.227 3.776 -1.511
158 HB2 ALA 59 HB2 ALA 59 -8.862 3.152 0.132
159 HB3 ALA 59 HB3 ALA 59 -9.419 2.048 -1.136
160 H ASN 60 H ASN 60 -11.891 3.604 2.015
161 HA ASN 60 HA ASN 60 -12.525 2.329 3.799
162 HB2 ASN 60 HB2 ASN 60 -12.883 -0.117 2.065
163 HB3 ASN 60 HB3 ASN 60 -13.753 0.350 3.516
164 HD21 ASN 60 HD21 ASN 60 -13.361 0.921 0.079
165 HD22 ASN 60 HD22 ASN 60 -14.742 1.960 -0.168
166 H ARG 61 H ARG 61 -9.737 2.287 2.574
167 HA ARG 61 HA ARG 61 -8.662 -0.166 3.779
168 HB2 ARG 61 HB2 ARG 61 -7.325 1.759 1.874
169 HB3 ARG 61 HB3 ARG 61 -6.483 0.405 2.617
170 HG2 ARG 61 HG2 ARG 61 -8.908 0.090 0.801
171 HG3 ARG 61 HG3 ARG 61 -7.241 -0.026 0.288
172 HD2 ARG 61 HD2 ARG 61 -8.130 -2.223 0.518
173 HD3 ARG 61 HD3 ARG 61 -6.890 -1.989 1.750
174 HE ARG 61 HE ARG 61 -9.844 -1.818 2.238
175 HH11 ARG 61 HH11 ARG 61 -6.782 -3.314 3.329
176 HH12 ARG 61 HH12 ARG 61 -7.305 -3.442 4.962
177 HH21 ARG 61 HH21 ARG 61 -10.484 -2.026 4.433
178 HH22 ARG 61 HH22 ARG 61 -9.511 -2.869 5.542
179 H ARG 62 H ARG 62 -6.372 0.194 4.558
180 HA ARG 62 HA ARG 62 -6.756 1.066 7.240
181 HB2 ARG 62 HB2 ARG 62 -4.811 -0.395 5.594
182 HB3 ARG 62 HB3 ARG 62 -4.110 0.446 6.944
183 HG2 ARG 62 HG2 ARG 62 -6.050 -0.529 8.411
184 HG3 ARG 62 HG3 ARG 62 -6.524 -1.451 6.974
185 HD2 ARG 62 HD2 ARG 62 -5.225 -2.997 7.854
186 HD3 ARG 62 HD3 ARG 62 -3.917 -2.082 7.082
187 HE ARG 62 HE ARG 62 -3.832 -0.854 9.395
188 HH11 ARG 62 HH11 ARG 62 -5.417 -3.974 9.516
189 HH12 ARG 62 HH12 ARG 62 -4.589 -4.445 10.975
190 HH21 ARG 62 HH21 ARG 62 -2.926 -1.433 11.411
191 HH22 ARG 62 HH22 ARG 62 -3.313 -2.980 12.084
192 H ALA 63 H ALA 63 -6.623 3.343 5.269
193 HA ALA 63 HA ALA 63 -5.790 5.540 5.185
194 HB1 ALA 63 HB1 ALA 63 -4.924 5.104 8.055
195 HB2 ALA 63 HB2 ALA 63 -5.270 6.628 7.239
196 HB3 ALA 63 HB3 ALA 63 -6.597 5.499 7.564
197 H ASN 64 H ASN 64 -4.007 3.111 4.786
198 HA ASN 64 HA ASN 64 -1.366 4.507 4.630
199 HB2 ASN 64 HB2 ASN 64 -2.022 1.683 5.539
200 HB3 ASN 64 HB3 ASN 64 -0.380 2.223 5.186
201 HD21 ASN 64 HD21 ASN 64 -0.181 4.663 6.305
202 HD22 ASN 64 HD22 ASN 64 -0.476 4.651 8.031
203 H CYS 65 H CYS 65 -3.825 3.106 2.896
204 HA CYS 65 HA CYS 65 -1.931 1.780 1.022
205 HB2 CYS 65 HB2 CYS 65 -3.777 0.409 1.648
206 HB3 CYS 65 HB3 CYS 65 -4.880 1.579 0.979
207 H SER 66 H SER 66 -0.921 3.422 0.177
208 HA SER 66 HA SER 66 -1.922 5.775 -1.084
209 HB2 SER 66 HB2 SER 66 0.557 5.795 -1.747
210 HB3 SER 66 HB3 SER 66 0.263 5.574 -0.001
211 HG SER 66 HG SER 66 1.793 4.048 -1.246
212 H CYS 67 H CYS 67 -1.896 2.717 -2.092
213 HA CYS 67 HA CYS 67 -0.908 2.705 -4.824
214 HB2 CYS 67 HB2 CYS 67 -3.186 1.102 -3.627
215 HB3 CYS 67 HB3 CYS 67 -2.503 0.783 -5.179
216 H GLY 68 H GLY 68 -2.343 2.032 -6.875
217 HA2 GLY 68 HA2 GLY 68 -4.868 3.306 -7.170
218 HA3 GLY 68 HA3 GLY 68 -3.511 4.107 -8.020
219 H ALA 69 H ALA 69 -2.481 3.026 -9.662
220 HA ALA 69 HA ALA 69 -3.624 1.248 -11.244
221 HB1 ALA 69 HB1 ALA 69 -0.679 1.814 -10.808
222 HB2 ALA 69 HB2 ALA 69 -1.279 0.829 -12.152
223 HB3 ALA 69 HB3 ALA 69 -1.798 2.490 -12.026
224 H ALA 70 H ALA 70 -3.959 -0.510 -11.590
225 HA ALA 70 HA ALA 70 -4.756 -2.669 -10.900
226 HB1 ALA 70 HB1 ALA 70 -2.225 -3.049 -12.531
227 HB2 ALA 70 HB2 ALA 70 -3.601 -4.165 -12.408
228 HB3 ALA 70 HB3 ALA 70 -3.820 -2.584 -13.165
229 H CYS 71 H CYS 71 -4.262 -2.431 -8.574
230 HA CYS 71 HA CYS 71 -1.839 -3.913 -7.727
231 HB2 CYS 71 HB2 CYS 71 -2.595 -1.751 -6.674
232 HB3 CYS 71 HB3 CYS 71 -3.894 -2.674 -5.931
233 H ASN 72 H ASN 72 -1.980 -6.033 -7.760
234 HA ASN 72 HA ASN 72 -4.507 -7.355 -6.976
235 HB2 ASN 72 HB2 ASN 72 -2.004 -8.482 -8.263
236 HB3 ASN 72 HB3 ASN 72 -3.506 -9.355 -7.920
237 HD21 ASN 72 HD21 ASN 72 -2.548 -9.314 -10.522
238 HD22 ASN 72 HD22 ASN 72 -3.591 -8.349 -11.517
239 H CYS 73 H CYS 73 -1.663 -6.309 -5.521
240 HA CYS 73 HA CYS 73 -0.909 -8.463 -3.763
241 HB2 CYS 73 HB2 CYS 73 0.327 -6.528 -3.566
242 HB3 CYS 73 HB3 CYS 73 -1.153 -5.505 -3.446
243 H ALA 74 H ALA 74 -2.407 -9.803 -2.676
244 HA ALA 74 HA ALA 74 -4.961 -9.176 -1.863
245 HB1 ALA 74 HB1 ALA 74 -4.718 -11.041 -0.255
246 HB2 ALA 74 HB2 ALA 74 -4.045 -11.450 -1.836
247 HB3 ALA 74 HB3 ALA 74 -2.960 -11.023 -0.487
248 H SER 75 H SER 75 -1.883 -8.560 -0.017
249 HA SER 75 HA SER 75 -3.099 -7.773 2.374
250 HB2 SER 75 HB2 SER 75 -0.581 -6.559 1.283
251 HB3 SER 75 HB3 SER 75 -0.967 -6.897 2.982
252 HG SER 75 HG SER 75 -0.493 -8.994 2.683
253 H CYS 76 H CYS 76 -3.227 -6.187 -0.656
254 HA CYS 76 HA CYS 76 -3.970 -3.574 0.661
255 HB2 CYS 76 HB2 CYS 76 -2.963 -4.292 -2.117
256 HB3 CYS 76 HB3 CYS 76 -3.882 -2.850 -1.761
257 H GLY 77 H GLY 77 -5.112 -6.222 -1.561
258 HA2 GLY 77 HA2 GLY 77 -7.357 -4.645 -2.512
259 HA3 GLY 77 HA3 GLY 77 -7.014 -6.346 -2.806
260 H SER 78 H SER 78 -6.805 -7.069 0.039
261 HA SER 78 HA SER 78 -9.454 -7.854 0.497
262 HB2 SER 78 HB2 SER 78 -7.158 -8.799 1.244
263 HB3 SER 78 HB3 SER 78 -7.282 -7.677 2.604
264 HG SER 78 HG SER 78 -8.639 -10.002 1.989
265 H ALA 79 H ALA 79 -10.940 -6.249 0.654
266 HA ALA 79 HA ALA 79 -10.838 -4.320 2.896
267 HB1 ALA 79 HB1 ALA 79 -12.013 -3.702 0.148
268 HB2 ALA 79 HB2 ALA 79 -11.759 -2.571 1.488
269 HB3 ALA 79 HB3 ALA 79 -10.367 -3.233 0.593
270 H THR 80 H THR 80 -12.474 -6.785 1.190
271 HA THR 80 HA THR 80 -15.181 -6.206 1.672
272 HB THR 80 HB THR 80 -14.105 -7.776 0.060
273 HG1 THR 80 HG1 THR 80 -15.738 -9.212 0.085
274 HG21 THR 80 HG21 THR 80 -12.448 -8.847 1.558
275 HG22 THR 80 HG22 THR 80 -13.465 -10.019 0.714
276 HG23 THR 80 HG23 THR 80 -13.766 -9.662 2.425
277 H ALA 81 H ALA 81 -12.598 -7.246 3.804
278 HA ALA 81 HA ALA 81 -14.163 -6.926 6.191
279 HB1 ALA 81 HB1 ALA 81 -13.410 -9.178 7.077
280 HB2 ALA 81 HB2 ALA 81 -14.627 -9.310 5.802
281 HB3 ALA 81 HB3 ALA 81 -12.910 -9.626 5.437
282 HA PRO 82 HA PRO 82 -9.937 -5.673 7.117
283 HB2 PRO 82 HB2 PRO 82 -9.899 -5.589 9.834
284 HB3 PRO 82 HB3 PRO 82 -10.962 -4.503 8.887
285 HG2 PRO 82 HG2 PRO 82 -11.689 -7.161 10.172
286 HG3 PRO 82 HG3 PRO 82 -12.556 -5.590 10.302
287 HD2 PRO 82 HD2 PRO 82 -13.271 -7.557 8.561
288 HD3 PRO 82 HD3 PRO 82 -13.470 -5.823 8.174
289 H GLY 83 H GLY 83 -11.014 -8.836 7.442
290 HA2 GLY 83 HA2 GLY 83 -8.388 -9.962 7.712
291 HA3 GLY 83 HA3 GLY 83 -9.472 -10.334 9.081
Start of MODEL 19
1 H1 GLY 31 H GLY 31 19.495 -0.286 -6.845
2 HA2 GLY 31 HA2 GLY 31 19.761 1.189 -4.284
3 HA3 GLY 31 HA3 GLY 31 19.586 2.012 -5.841
4 H GLU 32 H GLU 32 17.825 -0.652 -3.977
5 HA GLU 32 HA GLU 32 15.315 0.749 -4.739
6 HB2 GLU 32 HB2 GLU 32 15.579 -2.263 -4.718
7 HB3 GLU 32 HB3 GLU 32 14.265 -1.259 -5.326
8 HG2 GLU 32 HG2 GLU 32 15.996 -0.336 -7.017
9 HG3 GLU 32 HG3 GLU 32 17.011 -1.697 -6.554
10 H HIS 33 H HIS 33 13.452 -0.124 -3.503
11 HA HIS 33 HA HIS 33 14.106 -0.661 -0.657
12 HB2 HIS 33 HB2 HIS 33 12.684 1.530 -1.961
13 HB3 HIS 33 HB3 HIS 33 11.691 0.742 -0.743
14 HD2 HIS 33 HD2 HIS 33 15.524 1.012 -0.294
15 HE1 HIS 33 HE1 HIS 33 13.855 3.716 2.465
16 HE2 HIS 33 HE2 HIS 33 15.973 2.549 1.737
17 H THR 34 H THR 34 12.082 -1.375 0.605
18 HA THR 34 HA THR 34 10.974 -3.744 -0.767
19 HB THR 34 HB THR 34 10.502 -2.527 1.986
20 HG1 THR 34 HG1 THR 34 12.692 -3.442 1.408
21 HG21 THR 34 HG21 THR 34 9.640 -4.702 2.613
22 HG22 THR 34 HG22 THR 34 9.739 -5.244 0.906
23 HG23 THR 34 HG23 THR 34 8.693 -3.884 1.422
24 H THR 35 H THR 35 9.107 -3.476 -1.996
25 HA THR 35 HA THR 35 7.265 -1.232 -1.325
26 HB THR 35 HB THR 35 7.039 -0.990 -3.898
27 HG1 THR 35 HG1 THR 35 8.270 -2.837 -4.523
28 HG21 THR 35 HG21 THR 35 8.702 0.669 -3.955
29 HG22 THR 35 HG22 THR 35 9.770 -0.193 -2.822
30 HG23 THR 35 HG23 THR 35 8.265 0.539 -2.240
31 H CYS 36 H CYS 36 5.134 -1.462 -2.394
32 HA CYS 36 HA CYS 36 4.198 -4.173 -2.078
33 HB2 CYS 36 HB2 CYS 36 2.930 -1.869 -2.143
34 HB3 CYS 36 HB3 CYS 36 3.081 -1.973 -3.807
35 H GLY 37 H GLY 37 4.364 -5.817 -3.543
36 HA2 GLY 37 HA2 GLY 37 5.834 -6.102 -5.702
37 HA3 GLY 37 HA3 GLY 37 4.303 -6.961 -5.559
38 H CYS 38 H CYS 38 2.869 -4.295 -5.869
39 HA CYS 38 HA CYS 38 2.415 -4.432 -8.725
40 HB2 CYS 38 HB2 CYS 38 0.894 -2.663 -8.392
41 HB3 CYS 38 HB3 CYS 38 0.691 -3.787 -7.130
42 H GLY 39 H GLY 39 4.929 -3.114 -6.955
43 HA2 GLY 39 HA2 GLY 39 6.720 -1.868 -7.429
44 HA3 GLY 39 HA3 GLY 39 6.010 -1.394 -9.003
45 H GLU 40 H GLU 40 5.049 -1.039 -5.425
46 HA GLU 40 HA GLU 40 5.175 1.836 -5.819
47 HB2 GLU 40 HB2 GLU 40 3.007 1.075 -6.903
48 HB3 GLU 40 HB3 GLU 40 2.476 0.547 -5.300
49 HG2 GLU 40 HG2 GLU 40 2.293 2.638 -4.468
50 HG3 GLU 40 HG3 GLU 40 3.467 3.346 -5.608
51 H HIS 41 H HIS 41 5.839 2.646 -3.946
52 HA HIS 41 HA HIS 41 6.209 1.277 -1.541
53 HB2 HIS 41 HB2 HIS 41 6.238 4.119 -2.473
54 HB3 HIS 41 HB3 HIS 41 5.981 3.899 -0.765
55 HD1 HIS 41 HD1 HIS 41 8.843 3.008 -3.429
56 HD2 HIS 41 HD2 HIS 41 7.986 3.450 0.701
57 HE1 HIS 41 HE1 HIS 41 11.042 2.766 -2.176
58 H CYS 42 H CYS 42 4.826 0.672 0.056
59 HA CYS 42 HA CYS 42 2.273 2.062 0.479
60 HB2 CYS 42 HB2 CYS 42 1.844 0.507 -1.389
61 HB3 CYS 42 HB3 CYS 42 2.475 -0.833 -0.419
62 H GLY 43 H GLY 43 1.401 1.527 2.578
63 HA2 GLY 43 HA2 GLY 43 3.162 0.718 4.530
64 HA3 GLY 43 HA3 GLY 43 1.417 0.865 4.745
65 H CYS 44 H CYS 44 1.978 -1.333 2.461
66 HA CYS 44 HA CYS 44 1.605 -3.685 4.293
67 HB2 CYS 44 HB2 CYS 44 0.596 -4.753 2.422
68 HB3 CYS 44 HB3 CYS 44 0.093 -3.051 2.356
69 H ASN 45 H ASN 45 4.164 -2.020 3.051
70 HA ASN 45 HA ASN 45 5.986 -4.296 2.911
71 HB2 ASN 45 HB2 ASN 45 5.247 -2.490 0.630
72 HB3 ASN 45 HB3 ASN 45 6.940 -2.835 0.850
73 HD21 ASN 45 HD21 ASN 45 7.733 -5.039 0.701
74 HD22 ASN 45 HD22 ASN 45 6.859 -6.163 -0.277
75 HA PRO 46 HA PRO 46 7.295 -0.645 5.405
76 HB2 PRO 46 HB2 PRO 46 8.673 -2.083 7.327
77 HB3 PRO 46 HB3 PRO 46 6.922 -1.725 7.418
78 HG2 PRO 46 HG2 PRO 46 8.260 -4.254 6.474
79 HG3 PRO 46 HG3 PRO 46 6.818 -4.085 7.523
80 HD2 PRO 46 HD2 PRO 46 6.705 -4.636 4.854
81 HD3 PRO 46 HD3 PRO 46 5.444 -3.653 5.662
82 H CYS 47 H CYS 47 9.298 0.301 5.146
83 HA CYS 47 HA CYS 47 11.575 -1.226 4.040
84 HB2 CYS 47 HB2 CYS 47 11.845 0.775 2.513
85 HB3 CYS 47 HB3 CYS 47 10.471 -0.259 2.077
86 H ALA 48 H ALA 48 13.544 0.121 4.175
87 HA ALA 48 HA ALA 48 14.117 1.250 6.553
88 HB1 ALA 48 HB1 ALA 48 15.402 2.129 3.938
89 HB2 ALA 48 HB2 ALA 48 16.140 2.051 5.535
90 HB3 ALA 48 HB3 ALA 48 15.682 0.548 4.693
91 H CYS 49 H CYS 49 12.417 2.950 4.102
92 HA CYS 49 HA CYS 49 12.851 5.572 5.486
93 HB2 CYS 49 HB2 CYS 49 12.187 6.743 3.646
94 HB3 CYS 49 HB3 CYS 49 13.229 5.519 3.001
95 H GLY 50 H GLY 50 10.541 3.030 5.215
96 HA2 GLY 50 HA2 GLY 50 8.458 2.747 6.046
97 HA3 GLY 50 HA3 GLY 50 8.744 4.201 6.999
98 H ARG 51 H ARG 51 8.893 4.872 3.605
99 HA ARG 51 HA ARG 51 6.592 6.543 3.775
100 HB2 ARG 51 HB2 ARG 51 8.614 6.863 2.264
101 HB3 ARG 51 HB3 ARG 51 7.952 5.612 1.224
102 HG2 ARG 51 HG2 ARG 51 5.804 7.124 1.183
103 HG3 ARG 51 HG3 ARG 51 6.842 8.376 1.889
104 HD2 ARG 51 HD2 ARG 51 7.286 6.895 -0.735
105 HD3 ARG 51 HD3 ARG 51 6.635 8.542 -0.563
106 HE ARG 51 HE ARG 51 9.215 8.357 0.667
107 HH11 ARG 51 HH11 ARG 51 7.636 8.581 -2.541
108 HH12 ARG 51 HH12 ARG 51 8.975 9.431 -3.239
109 HH21 ARG 51 HH21 ARG 51 11.119 8.976 -0.444
110 HH22 ARG 51 HH22 ARG 51 11.043 9.560 -2.066
111 H GLU 52 H GLU 52 4.526 6.209 3.276
112 HA GLU 52 HA GLU 52 3.719 3.611 2.059
113 HB2 GLU 52 HB2 GLU 52 2.054 5.134 4.096
114 HB3 GLU 52 HB3 GLU 52 1.815 3.490 3.490
115 HG2 GLU 52 HG2 GLU 52 4.209 3.062 4.499
116 HG3 GLU 52 HG3 GLU 52 3.901 4.534 5.414
117 H GLY 53 H GLY 53 3.400 6.928 2.134
118 HA2 GLY 53 HA2 GLY 53 2.795 8.464 0.510
119 HA3 GLY 53 HA3 GLY 53 1.996 7.185 -0.439
120 H THR 54 H THR 54 0.815 9.775 0.144
121 HA THR 54 HA THR 54 -0.956 9.540 2.365
122 HB THR 54 HB THR 54 -1.301 11.216 -0.151
123 HG1 THR 54 HG1 THR 54 0.144 11.594 2.255
124 HG21 THR 54 HG21 THR 54 -2.542 12.727 1.399
125 HG22 THR 54 HG22 THR 54 -2.353 11.540 2.703
126 HG23 THR 54 HG23 THR 54 -3.321 11.136 1.264
127 HA PRO 55 HA PRO 55 -3.481 6.423 0.506
128 HB2 PRO 55 HB2 PRO 55 -5.601 6.476 2.230
129 HB3 PRO 55 HB3 PRO 55 -4.077 5.635 2.499
130 HG2 PRO 55 HG2 PRO 55 -4.963 8.358 3.503
131 HG3 PRO 55 HG3 PRO 55 -4.112 7.077 4.426
132 HD2 PRO 55 HD2 PRO 55 -2.817 9.209 3.367
133 HD3 PRO 55 HD3 PRO 55 -2.053 7.586 3.406
134 H SER 56 H SER 56 -5.656 6.131 -0.353
135 HA SER 56 HA SER 56 -6.447 8.020 -2.176
136 HB2 SER 56 HB2 SER 56 -8.387 6.081 -0.900
137 HB3 SER 56 HB3 SER 56 -8.405 6.714 -2.558
138 HG SER 56 HG SER 56 -6.432 5.612 -2.905
139 H GLY 57 H GLY 57 -7.464 8.046 1.239
140 HA2 GLY 57 HA2 GLY 57 -8.366 9.789 2.400
141 HA3 GLY 57 HA3 GLY 57 -8.621 10.688 0.903
142 H ARG 58 H ARG 58 -10.261 9.251 -0.599
143 HA ARG 58 HA ARG 58 -12.777 9.221 0.979
144 HB2 ARG 58 HB2 ARG 58 -12.435 8.871 -2.012
145 HB3 ARG 58 HB3 ARG 58 -13.946 9.102 -1.131
146 HG2 ARG 58 HG2 ARG 58 -13.010 11.332 -0.311
147 HG3 ARG 58 HG3 ARG 58 -11.697 11.111 -1.476
148 HD2 ARG 58 HD2 ARG 58 -14.673 11.313 -2.023
149 HD3 ARG 58 HD3 ARG 58 -13.428 12.490 -2.467
150 HE ARG 58 HE ARG 58 -12.865 9.964 -3.702
151 HH11 ARG 58 HH11 ARG 58 -15.138 12.652 -3.872
152 HH12 ARG 58 HH12 ARG 58 -15.388 12.609 -5.559
153 HH21 ARG 58 HH21 ARG 58 -13.532 9.541 -5.891
154 HH22 ARG 58 HH22 ARG 58 -14.319 10.806 -6.791
155 H ALA 59 H ALA 59 -11.213 7.175 1.843
156 HA ALA 59 HA ALA 59 -12.823 4.902 1.432
157 HB1 ALA 59 HB1 ALA 59 -11.559 4.583 -0.634
158 HB2 ALA 59 HB2 ALA 59 -10.022 4.751 0.269
159 HB3 ALA 59 HB3 ALA 59 -11.114 3.365 0.557
160 H ASN 60 H ASN 60 -12.003 3.101 2.679
161 HA ASN 60 HA ASN 60 -10.147 3.824 4.882
162 HB2 ASN 60 HB2 ASN 60 -11.576 2.460 6.373
163 HB3 ASN 60 HB3 ASN 60 -12.298 3.974 5.854
164 HD21 ASN 60 HD21 ASN 60 -13.941 3.833 4.007
165 HD22 ASN 60 HD22 ASN 60 -14.920 2.386 3.943
166 H ARG 61 H ARG 61 -8.901 2.988 2.971
167 HA ARG 61 HA ARG 61 -8.837 0.191 2.336
168 HB2 ARG 61 HB2 ARG 61 -6.393 1.996 2.246
169 HB3 ARG 61 HB3 ARG 61 -6.733 0.597 1.225
170 HG2 ARG 61 HG2 ARG 61 -8.194 3.291 1.059
171 HG3 ARG 61 HG3 ARG 61 -6.829 2.815 0.068
172 HD2 ARG 61 HD2 ARG 61 -8.143 1.010 -0.977
173 HD3 ARG 61 HD3 ARG 61 -9.538 1.433 0.032
174 HE ARG 61 HE ARG 61 -8.630 3.753 -1.384
175 HH11 ARG 61 HH11 ARG 61 -10.256 0.662 -2.234
176 HH12 ARG 61 HH12 ARG 61 -11.358 1.498 -3.312
177 HH21 ARG 61 HH21 ARG 61 -10.328 4.727 -2.784
178 HH22 ARG 61 HH22 ARG 61 -11.306 3.609 -3.665
179 H ARG 62 H ARG 62 -6.326 -0.921 2.896
180 HA ARG 62 HA ARG 62 -6.629 -1.719 5.382
181 HB2 ARG 62 HB2 ARG 62 -4.929 -2.278 3.217
182 HB3 ARG 62 HB3 ARG 62 -3.786 -1.829 4.422
183 HG2 ARG 62 HG2 ARG 62 -5.882 -3.986 4.810
184 HG3 ARG 62 HG3 ARG 62 -4.116 -4.185 4.731
185 HD2 ARG 62 HD2 ARG 62 -4.061 -2.477 6.692
186 HD3 ARG 62 HD3 ARG 62 -5.783 -2.782 6.840
187 HE ARG 62 HE ARG 62 -4.760 -5.316 6.918
188 HH11 ARG 62 HH11 ARG 62 -4.685 -2.491 9.113
189 HH12 ARG 62 HH12 ARG 62 -4.043 -3.398 10.389
190 HH21 ARG 62 HH21 ARG 62 -3.969 -6.471 8.792
191 HH22 ARG 62 HH22 ARG 62 -3.515 -5.575 10.207
192 H ALA 63 H ALA 63 -3.769 0.201 4.555
193 HA ALA 63 HA ALA 63 -3.986 1.837 6.911
194 HB1 ALA 63 HB1 ALA 63 -1.878 1.081 7.940
195 HB2 ALA 63 HB2 ALA 63 -3.089 -0.210 7.980
196 HB3 ALA 63 HB3 ALA 63 -1.778 -0.254 6.773
197 H ASN 64 H ASN 64 -3.934 3.298 5.486
198 HA ASN 64 HA ASN 64 -3.123 5.020 4.208
199 HB2 ASN 64 HB2 ASN 64 -0.303 4.208 4.886
200 HB3 ASN 64 HB3 ASN 64 -0.919 5.804 4.500
201 HD21 ASN 64 HD21 ASN 64 0.044 3.853 6.971
202 HD22 ASN 64 HD22 ASN 64 -0.785 4.572 8.334
203 H CYS 65 H CYS 65 -3.643 2.398 2.903
204 HA CYS 65 HA CYS 65 -1.436 1.884 1.122
205 HB2 CYS 65 HB2 CYS 65 -3.053 0.272 1.778
206 HB3 CYS 65 HB3 CYS 65 -4.359 1.332 1.262
207 H SER 66 H SER 66 -1.016 4.065 0.315
208 HA SER 66 HA SER 66 -2.835 5.703 -1.222
209 HB2 SER 66 HB2 SER 66 -0.674 6.329 -0.132
210 HB3 SER 66 HB3 SER 66 0.212 5.401 -1.341
211 HG SER 66 HG SER 66 -1.174 7.822 -1.519
212 H CYS 67 H CYS 67 -1.309 2.946 -1.844
213 HA CYS 67 HA CYS 67 -1.211 3.059 -4.827
214 HB2 CYS 67 HB2 CYS 67 0.127 1.340 -4.791
215 HB3 CYS 67 HB3 CYS 67 0.526 1.880 -3.212
216 H GLY 68 H GLY 68 -2.823 1.924 -6.261
217 HA2 GLY 68 HA2 GLY 68 -4.658 0.009 -5.021
218 HA3 GLY 68 HA3 GLY 68 -5.298 1.555 -5.502
219 H ALA 69 H ALA 69 -4.038 2.320 -7.682
220 HA ALA 69 HA ALA 69 -5.029 0.854 -9.797
221 HB1 ALA 69 HB1 ALA 69 -4.319 3.212 -9.951
222 HB2 ALA 69 HB2 ALA 69 -2.613 2.737 -9.721
223 HB3 ALA 69 HB3 ALA 69 -3.496 2.236 -11.175
224 H ALA 70 H ALA 70 -4.128 -0.379 -11.185
225 HA ALA 70 HA ALA 70 -3.363 -2.528 -11.757
226 HB1 ALA 70 HB1 ALA 70 -2.166 -0.857 -13.108
227 HB2 ALA 70 HB2 ALA 70 -0.869 -0.785 -11.893
228 HB3 ALA 70 HB3 ALA 70 -1.164 -2.280 -12.806
229 H CYS 71 H CYS 71 -3.676 -2.824 -9.088
230 HA CYS 71 HA CYS 71 -1.200 -4.274 -8.294
231 HB2 CYS 71 HB2 CYS 71 -1.233 -2.176 -7.271
232 HB3 CYS 71 HB3 CYS 71 -2.940 -2.283 -6.818
233 H ASN 72 H ASN 72 -1.523 -6.294 -7.931
234 HA ASN 72 HA ASN 72 -4.175 -7.270 -7.080
235 HB2 ASN 72 HB2 ASN 72 -1.987 -8.626 -8.679
236 HB3 ASN 72 HB3 ASN 72 -3.484 -9.396 -8.128
237 HD21 ASN 72 HD21 ASN 72 -2.795 -9.115 -10.962
238 HD22 ASN 72 HD22 ASN 72 -3.993 -8.073 -11.653
239 H CYS 73 H CYS 73 -1.386 -6.495 -5.577
240 HA CYS 73 HA CYS 73 -0.670 -8.758 -3.924
241 HB2 CYS 73 HB2 CYS 73 0.565 -6.815 -3.546
242 HB3 CYS 73 HB3 CYS 73 -0.888 -5.811 -3.494
243 H ALA 74 H ALA 74 -2.276 -10.141 -2.928
244 HA ALA 74 HA ALA 74 -4.848 -9.482 -2.338
245 HB1 ALA 74 HB1 ALA 74 -3.082 -11.348 -0.731
246 HB2 ALA 74 HB2 ALA 74 -4.866 -11.329 -0.778
247 HB3 ALA 74 HB3 ALA 74 -3.970 -11.759 -2.235
248 H SER 75 H SER 75 -2.012 -8.776 -0.097
249 HA SER 75 HA SER 75 -3.689 -8.166 2.071
250 HB2 SER 75 HB2 SER 75 -1.023 -6.896 1.457
251 HB3 SER 75 HB3 SER 75 -1.746 -7.183 3.054
252 HG SER 75 HG SER 75 -1.409 -9.412 2.716
253 H CYS 76 H CYS 76 -3.203 -6.452 -0.915
254 HA CYS 76 HA CYS 76 -4.271 -3.855 0.201
255 HB2 CYS 76 HB2 CYS 76 -3.116 -4.669 -2.477
256 HB3 CYS 76 HB3 CYS 76 -3.976 -3.185 -2.192
257 H GLY 77 H GLY 77 -5.162 -6.789 -1.650
258 HA2 GLY 77 HA2 GLY 77 -7.357 -5.788 -3.120
259 HA3 GLY 77 HA3 GLY 77 -7.094 -7.458 -2.581
260 H SER 78 H SER 78 -7.121 -7.412 0.075
261 HA SER 78 HA SER 78 -9.763 -7.279 0.887
262 HB2 SER 78 HB2 SER 78 -7.388 -7.019 2.753
263 HB3 SER 78 HB3 SER 78 -8.927 -7.846 3.030
264 HG SER 78 HG SER 78 -8.276 -9.388 1.453
265 H ALA 79 H ALA 79 -11.049 -5.493 1.103
266 HA ALA 79 HA ALA 79 -10.285 -3.233 2.695
267 HB1 ALA 79 HB1 ALA 79 -10.744 -1.559 0.894
268 HB2 ALA 79 HB2 ALA 79 -9.291 -2.503 0.564
269 HB3 ALA 79 HB3 ALA 79 -10.801 -2.889 -0.298
270 H THR 80 H THR 80 -12.758 -2.764 0.289
271 HA THR 80 HA THR 80 -14.808 -3.223 2.309
272 HB THR 80 HB THR 80 -16.352 -2.451 0.444
273 HG1 THR 80 HG1 THR 80 -13.899 -1.642 -0.754
274 HG21 THR 80 HG21 THR 80 -15.423 -0.972 2.237
275 HG22 THR 80 HG22 THR 80 -15.682 -0.112 0.702
276 HG23 THR 80 HG23 THR 80 -14.042 -0.623 1.184
277 H ALA 81 H ALA 81 -14.486 -5.449 2.674
278 HA ALA 81 HA ALA 81 -15.067 -7.376 0.527
279 HB1 ALA 81 HB1 ALA 81 -14.617 -9.026 2.342
280 HB2 ALA 81 HB2 ALA 81 -13.304 -7.844 2.217
281 HB3 ALA 81 HB3 ALA 81 -14.522 -7.714 3.519
282 HA PRO 82 HA PRO 82 -19.408 -7.594 1.476
283 HB2 PRO 82 HB2 PRO 82 -20.031 -10.221 1.002
284 HB3 PRO 82 HB3 PRO 82 -19.550 -9.091 -0.301
285 HG2 PRO 82 HG2 PRO 82 -17.779 -11.065 1.183
286 HG3 PRO 82 HG3 PRO 82 -17.929 -10.842 -0.584
287 HD2 PRO 82 HD2 PRO 82 -15.940 -9.659 0.770
288 HD3 PRO 82 HD3 PRO 82 -16.776 -8.783 -0.533
289 H GLY 83 H GLY 83 -17.242 -9.960 3.111
290 HA2 GLY 83 HA2 GLY 83 -17.564 -9.577 5.667
291 HA3 GLY 83 HA3 GLY 83 -19.057 -10.503 5.313
Start of MODEL 20
1 H1 GLY 31 H GLY 31 14.340 5.026 -5.475
2 HA2 GLY 31 HA2 GLY 31 13.130 2.943 -5.290
3 HA3 GLY 31 HA3 GLY 31 14.366 2.789 -6.547
4 H GLU 32 H GLU 32 14.433 0.491 -6.171
5 HA GLU 32 HA GLU 32 14.960 -1.478 -5.175
6 HB2 GLU 32 HB2 GLU 32 17.130 -0.429 -5.938
7 HB3 GLU 32 HB3 GLU 32 17.417 0.034 -4.253
8 HG2 GLU 32 HG2 GLU 32 17.027 -2.549 -3.760
9 HG3 GLU 32 HG3 GLU 32 17.174 -2.732 -5.499
10 H HIS 33 H HIS 33 13.074 -0.481 -3.624
11 HA HIS 33 HA HIS 33 13.979 -0.988 -0.842
12 HB2 HIS 33 HB2 HIS 33 12.969 1.476 -1.888
13 HB3 HIS 33 HB3 HIS 33 11.761 0.780 -0.806
14 HD2 HIS 33 HD2 HIS 33 15.579 0.358 -0.293
15 HE1 HIS 33 HE1 HIS 33 14.282 2.857 2.847
16 HE2 HIS 33 HE2 HIS 33 16.257 1.515 1.862
17 H THR 34 H THR 34 12.035 -1.455 0.710
18 HA THR 34 HA THR 34 10.600 -3.655 -0.529
19 HB THR 34 HB THR 34 9.724 -2.448 2.066
20 HG1 THR 34 HG1 THR 34 12.262 -3.667 1.652
21 HG21 THR 34 HG21 THR 34 9.679 -4.796 2.770
22 HG22 THR 34 HG22 THR 34 10.424 -5.287 1.238
23 HG23 THR 34 HG23 THR 34 8.808 -4.578 1.260
24 H THR 35 H THR 35 8.970 -3.323 -1.839
25 HA THR 35 HA THR 35 7.094 -1.098 -1.469
26 HB THR 35 HB THR 35 7.034 -0.683 -3.920
27 HG1 THR 35 HG1 THR 35 8.146 -2.598 -4.651
28 HG21 THR 35 HG21 THR 35 8.378 0.698 -2.294
29 HG22 THR 35 HG22 THR 35 8.881 0.814 -3.996
30 HG23 THR 35 HG23 THR 35 9.829 -0.149 -2.850
31 H CYS 36 H CYS 36 5.129 -1.537 -2.409
32 HA CYS 36 HA CYS 36 4.294 -4.277 -2.243
33 HB2 CYS 36 HB2 CYS 36 3.021 -1.978 -2.042
34 HB3 CYS 36 HB3 CYS 36 3.111 -1.966 -3.778
35 H GLY 37 H GLY 37 4.251 -5.835 -3.802
36 HA2 GLY 37 HA2 GLY 37 5.772 -5.848 -6.034
37 HA3 GLY 37 HA3 GLY 37 4.310 -6.817 -5.916
38 H CYS 38 H CYS 38 2.663 -4.217 -5.888
39 HA CYS 38 HA CYS 38 2.120 -4.077 -8.680
40 HB2 CYS 38 HB2 CYS 38 0.535 -2.465 -8.208
41 HB3 CYS 38 HB3 CYS 38 0.467 -3.585 -6.961
42 H GLY 39 H GLY 39 4.642 -2.640 -6.886
43 HA2 GLY 39 HA2 GLY 39 6.396 -1.444 -7.582
44 HA3 GLY 39 HA3 GLY 39 5.489 -0.770 -8.941
45 H GLU 40 H GLU 40 4.566 -0.673 -5.371
46 HA GLU 40 HA GLU 40 5.203 2.199 -5.347
47 HB2 GLU 40 HB2 GLU 40 3.099 2.645 -5.837
48 HB3 GLU 40 HB3 GLU 40 2.587 0.999 -5.684
49 HG2 GLU 40 HG2 GLU 40 2.740 2.870 -3.308
50 HG3 GLU 40 HG3 GLU 40 1.381 2.664 -4.380
51 H HIS 41 H HIS 41 5.817 2.971 -3.395
52 HA HIS 41 HA HIS 41 6.446 1.228 -1.215
53 HB2 HIS 41 HB2 HIS 41 6.497 4.159 -1.917
54 HB3 HIS 41 HB3 HIS 41 6.370 3.774 -0.236
55 HD1 HIS 41 HD1 HIS 41 9.003 3.269 -3.104
56 HD2 HIS 41 HD2 HIS 41 8.447 3.071 1.084
57 HE1 HIS 41 HE1 HIS 41 11.250 2.810 -2.093
58 H CYS 42 H CYS 42 4.927 0.350 0.229
59 HA CYS 42 HA CYS 42 2.406 1.829 0.816
60 HB2 CYS 42 HB2 CYS 42 2.287 -0.072 -1.011
61 HB3 CYS 42 HB3 CYS 42 2.471 -1.163 0.330
62 H GLY 43 H GLY 43 1.363 1.026 2.820
63 HA2 GLY 43 HA2 GLY 43 3.068 0.518 4.917
64 HA3 GLY 43 HA3 GLY 43 1.330 0.246 4.942
65 H CYS 44 H CYS 44 1.751 -1.674 2.742
66 HA CYS 44 HA CYS 44 1.985 -4.151 4.323
67 HB2 CYS 44 HB2 CYS 44 1.039 -5.221 2.420
68 HB3 CYS 44 HB3 CYS 44 0.253 -3.624 2.571
69 H ASN 45 H ASN 45 4.347 -2.205 3.061
70 HA ASN 45 HA ASN 45 6.226 -4.451 2.765
71 HB2 ASN 45 HB2 ASN 45 5.545 -2.360 0.708
72 HB3 ASN 45 HB3 ASN 45 7.182 -3.007 0.825
73 HD21 ASN 45 HD21 ASN 45 7.596 -5.276 0.338
74 HD22 ASN 45 HD22 ASN 45 6.450 -6.082 -0.652
75 HA PRO 46 HA PRO 46 7.335 -0.945 5.595
76 HB2 PRO 46 HB2 PRO 46 8.484 -2.554 7.520
77 HB3 PRO 46 HB3 PRO 46 6.756 -2.100 7.506
78 HG2 PRO 46 HG2 PRO 46 8.043 -4.649 6.497
79 HG3 PRO 46 HG3 PRO 46 6.552 -4.469 7.470
80 HD2 PRO 46 HD2 PRO 46 6.477 -4.843 4.778
81 HD3 PRO 46 HD3 PRO 46 5.311 -3.753 5.592
82 H CYS 47 H CYS 47 9.216 0.002 5.285
83 HA CYS 47 HA CYS 47 11.557 -1.544 4.298
84 HB2 CYS 47 HB2 CYS 47 12.018 0.410 2.851
85 HB3 CYS 47 HB3 CYS 47 10.578 -0.480 2.318
86 H ALA 48 H ALA 48 13.550 -0.284 4.525
87 HA ALA 48 HA ALA 48 14.086 0.802 7.001
88 HB1 ALA 48 HB1 ALA 48 15.569 1.388 4.429
89 HB2 ALA 48 HB2 ALA 48 16.222 1.293 6.082
90 HB3 ALA 48 HB3 ALA 48 15.655 -0.179 5.272
91 H CYS 49 H CYS 49 12.326 2.424 4.714
92 HA CYS 49 HA CYS 49 13.035 5.050 5.917
93 HB2 CYS 49 HB2 CYS 49 13.073 6.163 3.973
94 HB3 CYS 49 HB3 CYS 49 13.832 4.651 3.566
95 H GLY 50 H GLY 50 10.648 2.775 5.435
96 HA2 GLY 50 HA2 GLY 50 8.358 2.731 5.829
97 HA3 GLY 50 HA3 GLY 50 8.658 4.150 6.826
98 H ARG 51 H ARG 51 9.388 4.839 3.510
99 HA ARG 51 HA ARG 51 7.324 6.741 3.304
100 HB2 ARG 51 HB2 ARG 51 9.441 6.899 2.122
101 HB3 ARG 51 HB3 ARG 51 9.177 5.374 1.299
102 HG2 ARG 51 HG2 ARG 51 7.406 6.185 -0.069
103 HG3 ARG 51 HG3 ARG 51 7.319 7.705 0.838
104 HD2 ARG 51 HD2 ARG 51 8.251 7.852 -1.404
105 HD3 ARG 51 HD3 ARG 51 9.305 8.472 -0.106
106 HE ARG 51 HE ARG 51 9.621 6.081 -1.820
107 HH11 ARG 51 HH11 ARG 51 11.123 8.564 0.262
108 HH12 ARG 51 HH12 ARG 51 12.697 8.325 -0.404
109 HH21 ARG 51 HH21 ARG 51 11.831 5.586 -2.476
110 HH22 ARG 51 HH22 ARG 51 13.127 6.449 -1.733
111 H GLU 52 H GLU 52 5.637 6.836 1.823
112 HA GLU 52 HA GLU 52 4.595 4.859 0.190
113 HB2 GLU 52 HB2 GLU 52 2.446 4.510 1.394
114 HB3 GLU 52 HB3 GLU 52 3.854 3.714 2.058
115 HG2 GLU 52 HG2 GLU 52 3.966 5.744 3.732
116 HG3 GLU 52 HG3 GLU 52 2.323 6.067 3.163
117 H GLY 53 H GLY 53 2.319 5.864 -0.515
118 HA2 GLY 53 HA2 GLY 53 2.912 8.750 -1.059
119 HA3 GLY 53 HA3 GLY 53 1.895 7.687 -2.050
120 H THR 54 H THR 54 0.572 9.829 -1.545
121 HA THR 54 HA THR 54 -0.648 10.066 0.996
122 HB THR 54 HB THR 54 -1.575 10.994 -1.745
123 HG1 THR 54 HG1 THR 54 0.254 12.040 -1.273
124 HG21 THR 54 HG21 THR 54 -2.899 12.666 -0.452
125 HG22 THR 54 HG22 THR 54 -2.489 11.816 1.055
126 HG23 THR 54 HG23 THR 54 -3.491 11.024 -0.181
127 HA PRO 55 HA PRO 55 -3.037 6.326 0.607
128 HB2 PRO 55 HB2 PRO 55 -4.195 6.288 3.018
129 HB3 PRO 55 HB3 PRO 55 -2.450 5.982 2.790
130 HG2 PRO 55 HG2 PRO 55 -3.827 8.559 3.577
131 HG3 PRO 55 HG3 PRO 55 -2.401 7.780 4.363
132 HD2 PRO 55 HD2 PRO 55 -2.142 9.775 2.549
133 HD3 PRO 55 HD3 PRO 55 -0.970 8.434 2.645
134 H SER 56 H SER 56 -5.141 5.657 0.407
135 HA SER 56 HA SER 56 -6.877 7.638 -0.800
136 HB2 SER 56 HB2 SER 56 -7.237 4.679 -0.223
137 HB3 SER 56 HB3 SER 56 -8.392 5.655 -1.133
138 HG SER 56 HG SER 56 -5.675 5.740 -1.928
139 H GLY 57 H GLY 57 -7.121 8.995 1.151
140 HA2 GLY 57 HA2 GLY 57 -8.305 8.371 3.566
141 HA3 GLY 57 HA3 GLY 57 -8.440 9.930 2.763
142 H ARG 58 H ARG 58 -9.996 8.067 0.603
143 HA ARG 58 HA ARG 58 -12.597 7.988 2.047
144 HB2 ARG 58 HB2 ARG 58 -13.706 9.044 0.165
145 HB3 ARG 58 HB3 ARG 58 -12.585 10.118 0.992
146 HG2 ARG 58 HG2 ARG 58 -10.974 9.928 -0.834
147 HG3 ARG 58 HG3 ARG 58 -11.937 8.678 -1.617
148 HD2 ARG 58 HD2 ARG 58 -13.784 10.772 -1.225
149 HD3 ARG 58 HD3 ARG 58 -12.281 11.620 -1.574
150 HE ARG 58 HE ARG 58 -12.570 11.074 -3.742
151 HH11 ARG 58 HH11 ARG 58 -14.266 8.534 -1.901
152 HH12 ARG 58 HH12 ARG 58 -15.054 7.877 -3.287
153 HH21 ARG 58 HH21 ARG 58 -13.477 10.124 -5.546
154 HH22 ARG 58 HH22 ARG 58 -14.565 8.791 -5.458
155 H ALA 59 H ALA 59 -11.182 5.756 1.858
156 HA ALA 59 HA ALA 59 -12.800 4.124 0.089
157 HB1 ALA 59 HB1 ALA 59 -10.917 2.888 -0.863
158 HB2 ALA 59 HB2 ALA 59 -10.818 4.590 -1.349
159 HB3 ALA 59 HB3 ALA 59 -9.756 3.970 -0.057
160 H ASN 60 H ASN 60 -12.447 1.866 0.601
161 HA ASN 60 HA ASN 60 -12.641 1.284 3.348
162 HB2 ASN 60 HB2 ASN 60 -12.848 -1.051 2.574
163 HB3 ASN 60 HB3 ASN 60 -13.840 0.057 1.644
164 HD21 ASN 60 HD21 ASN 60 -13.973 -1.083 -0.279
165 HD22 ASN 60 HD22 ASN 60 -12.626 -1.674 -1.206
166 H ARG 61 H ARG 61 -9.646 1.877 1.907
167 HA ARG 61 HA ARG 61 -8.382 -0.451 3.088
168 HB2 ARG 61 HB2 ARG 61 -6.839 1.879 1.967
169 HB3 ARG 61 HB3 ARG 61 -6.249 0.308 2.441
170 HG2 ARG 61 HG2 ARG 61 -6.367 0.025 0.187
171 HG3 ARG 61 HG3 ARG 61 -7.893 -0.692 0.704
172 HD2 ARG 61 HD2 ARG 61 -9.113 1.272 0.023
173 HD3 ARG 61 HD3 ARG 61 -7.628 2.212 -0.174
174 HE ARG 61 HE ARG 61 -8.518 -0.108 -1.841
175 HH11 ARG 61 HH11 ARG 61 -6.576 2.956 -1.670
176 HH12 ARG 61 HH12 ARG 61 -6.425 3.043 -3.371
177 HH21 ARG 61 HH21 ARG 61 -8.351 0.268 -4.187
178 HH22 ARG 61 HH22 ARG 61 -7.434 1.646 -4.718
179 H ARG 62 H ARG 62 -6.535 -0.256 4.412
180 HA ARG 62 HA ARG 62 -7.145 0.509 6.972
181 HB2 ARG 62 HB2 ARG 62 -5.421 -1.189 5.456
182 HB3 ARG 62 HB3 ARG 62 -4.348 -0.345 6.492
183 HG2 ARG 62 HG2 ARG 62 -6.609 -2.180 7.341
184 HG3 ARG 62 HG3 ARG 62 -4.882 -2.306 7.701
185 HD2 ARG 62 HD2 ARG 62 -5.103 -0.072 8.912
186 HD3 ARG 62 HD3 ARG 62 -6.846 -0.242 8.748
187 HE ARG 62 HE ARG 62 -5.019 -1.811 10.464
188 HH11 ARG 62 HH11 ARG 62 -8.489 -1.335 9.581
189 HH12 ARG 62 HH12 ARG 62 -8.950 -1.507 11.267
190 HH21 ARG 62 HH21 ARG 62 -5.761 -2.172 12.506
191 HH22 ARG 62 HH22 ARG 62 -7.469 -1.979 12.870
192 H ALA 63 H ALA 63 -6.782 2.779 5.419
193 HA ALA 63 HA ALA 63 -6.024 4.936 5.535
194 HB1 ALA 63 HB1 ALA 63 -6.579 4.657 7.913
195 HB2 ALA 63 HB2 ALA 63 -4.888 4.221 8.248
196 HB3 ALA 63 HB3 ALA 63 -5.275 5.833 7.651
197 H ASN 64 H ASN 64 -3.699 2.527 5.448
198 HA ASN 64 HA ASN 64 -1.508 4.478 4.761
199 HB2 ASN 64 HB2 ASN 64 -1.167 1.580 5.593
200 HB3 ASN 64 HB3 ASN 64 0.092 2.800 5.415
201 HD21 ASN 64 HD21 ASN 64 -0.965 4.991 6.909
202 HD22 ASN 64 HD22 ASN 64 -0.968 4.462 8.572
203 H CYS 65 H CYS 65 -3.719 2.663 3.103
204 HA CYS 65 HA CYS 65 -1.691 1.449 1.310
205 HB2 CYS 65 HB2 CYS 65 -3.557 0.035 1.927
206 HB3 CYS 65 HB3 CYS 65 -4.630 1.227 1.163
207 H SER 66 H SER 66 -0.791 3.346 0.574
208 HA SER 66 HA SER 66 -1.954 5.479 -0.747
209 HB2 SER 66 HB2 SER 66 0.474 5.559 -1.621
210 HB3 SER 66 HB3 SER 66 0.218 5.489 0.152
211 HG SER 66 HG SER 66 1.831 3.873 -0.841
212 H CYS 67 H CYS 67 -1.338 2.384 -1.875
213 HA CYS 67 HA CYS 67 -0.949 2.317 -4.593
214 HB2 CYS 67 HB2 CYS 67 -3.086 0.841 -3.044
215 HB3 CYS 67 HB3 CYS 67 -2.730 0.440 -4.679
216 H GLY 68 H GLY 68 -2.257 2.094 -6.615
217 HA2 GLY 68 HA2 GLY 68 -5.022 2.907 -6.608
218 HA3 GLY 68 HA3 GLY 68 -3.843 3.980 -7.421
219 H ALA 69 H ALA 69 -2.301 2.959 -8.892
220 HA ALA 69 HA ALA 69 -3.439 1.300 -10.765
221 HB1 ALA 69 HB1 ALA 69 -1.393 2.806 -11.056
222 HB2 ALA 69 HB2 ALA 69 -0.439 1.560 -10.224
223 HB3 ALA 69 HB3 ALA 69 -1.198 1.199 -11.778
224 H ALA 70 H ALA 70 -3.124 -0.436 -11.525
225 HA ALA 70 HA ALA 70 -3.831 -2.754 -11.051
226 HB1 ALA 70 HB1 ALA 70 -1.045 -2.522 -12.250
227 HB2 ALA 70 HB2 ALA 70 -2.196 -3.866 -12.450
228 HB3 ALA 70 HB3 ALA 70 -2.595 -2.260 -13.092
229 H CYS 71 H CYS 71 -3.843 -2.810 -8.743
230 HA CYS 71 HA CYS 71 -1.456 -4.202 -7.619
231 HB2 CYS 71 HB2 CYS 71 -2.189 -2.052 -6.707
232 HB3 CYS 71 HB3 CYS 71 -3.659 -2.828 -6.153
233 H ASN 72 H ASN 72 -1.853 -6.373 -8.204
234 HA ASN 72 HA ASN 72 -4.295 -7.528 -7.096
235 HB2 ASN 72 HB2 ASN 72 -3.049 -8.321 -9.268
236 HB3 ASN 72 HB3 ASN 72 -2.026 -9.235 -8.149
237 HD21 ASN 72 HD21 ASN 72 -3.021 -11.217 -9.325
238 HD22 ASN 72 HD22 ASN 72 -4.624 -11.699 -8.837
239 H CYS 73 H CYS 73 -1.471 -6.583 -5.588
240 HA CYS 73 HA CYS 73 -0.838 -8.740 -3.810
241 HB2 CYS 73 HB2 CYS 73 0.429 -6.769 -3.629
242 HB3 CYS 73 HB3 CYS 73 -1.009 -5.772 -3.470
243 H ALA 74 H ALA 74 -2.370 -9.996 -2.712
244 HA ALA 74 HA ALA 74 -4.956 -9.411 -2.080
245 HB1 ALA 74 HB1 ALA 74 -4.848 -11.276 -0.504
246 HB2 ALA 74 HB2 ALA 74 -3.950 -11.657 -1.982
247 HB3 ALA 74 HB3 ALA 74 -3.078 -11.208 -0.491
248 H SER 75 H SER 75 -2.124 -8.668 -0.015
249 HA SER 75 HA SER 75 -3.545 -7.810 2.313
250 HB2 SER 75 HB2 SER 75 -1.285 -7.837 2.816
251 HB3 SER 75 HB3 SER 75 -0.794 -7.329 1.197
252 HG SER 75 HG SER 75 -1.722 -5.787 3.317
253 H CYS 76 H CYS 76 -3.181 -6.339 -0.803
254 HA CYS 76 HA CYS 76 -4.210 -3.722 0.210
255 HB2 CYS 76 HB2 CYS 76 -2.999 -4.499 -2.446
256 HB3 CYS 76 HB3 CYS 76 -3.771 -2.988 -2.000
257 H GLY 77 H GLY 77 -5.280 -6.557 -1.696
258 HA2 GLY 77 HA2 GLY 77 -7.447 -5.129 -2.997
259 HA3 GLY 77 HA3 GLY 77 -7.311 -6.893 -2.728
260 H SER 78 H SER 78 -7.226 -7.477 -0.272
261 HA SER 78 HA SER 78 -9.663 -6.748 0.991
262 HB2 SER 78 HB2 SER 78 -7.242 -8.228 2.113
263 HB3 SER 78 HB3 SER 78 -8.936 -8.468 2.545
264 HG SER 78 HG SER 78 -8.396 -10.111 1.130
265 H ALA 79 H ALA 79 -9.701 -5.901 3.240
266 HA ALA 79 HA ALA 79 -7.373 -4.469 4.287
267 HB1 ALA 79 HB1 ALA 79 -8.115 -2.882 2.553
268 HB2 ALA 79 HB2 ALA 79 -9.764 -2.906 3.226
269 HB3 ALA 79 HB3 ALA 79 -8.430 -2.241 4.187
270 H THR 80 H THR 80 -10.290 -6.040 4.831
271 HA THR 80 HA THR 80 -10.531 -4.924 7.582
272 HB THR 80 HB THR 80 -12.403 -4.139 6.502
273 HG1 THR 80 HG1 THR 80 -13.102 -5.229 8.282
274 HG21 THR 80 HG21 THR 80 -12.927 -6.764 5.068
275 HG22 THR 80 HG22 THR 80 -12.285 -5.271 4.314
276 HG23 THR 80 HG23 THR 80 -13.896 -5.285 4.981
277 H ALA 81 H ALA 81 -11.045 -7.836 5.528
278 HA ALA 81 HA ALA 81 -9.864 -9.568 7.638
279 HB1 ALA 81 HB1 ALA 81 -11.894 -11.047 7.331
280 HB2 ALA 81 HB2 ALA 81 -12.296 -9.488 8.061
281 HB3 ALA 81 HB3 ALA 81 -12.623 -9.787 6.341
282 HA PRO 82 HA PRO 82 -8.180 -11.527 4.034
283 HB2 PRO 82 HB2 PRO 82 -7.853 -14.131 4.742
284 HB3 PRO 82 HB3 PRO 82 -6.984 -12.805 5.566
285 HG2 PRO 82 HG2 PRO 82 -9.528 -14.170 6.474
286 HG3 PRO 82 HG3 PRO 82 -8.042 -13.824 7.427
287 HD2 PRO 82 HD2 PRO 82 -10.208 -12.223 7.510
288 HD3 PRO 82 HD3 PRO 82 -8.546 -11.577 7.628
289 H GLY 83 H GLY 83 -10.174 -10.915 2.916
290 HA2 GLY 83 HA2 GLY 83 -11.417 -11.595 1.053
291 HA3 GLY 83 HA3 GLY 83 -11.536 -13.245 1.690
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