Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
550100 | 2lua RC | 18514 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 8 1HT SER 8 -17.743 5.616 0.298
2 H2 SER 8 2HT SER 8 -17.955 4.656 1.677
3 H3 SER 8 3HT SER 8 -18.034 3.976 0.130
4 HA SER 8 HA SER 8 -15.630 5.178 1.298
5 HB2 SER 8 2HB SER 8 -16.257 2.251 0.731
6 HB3 SER 8 1HB SER 8 -14.807 2.892 1.483
7 HG SER 8 HG SER 8 -17.408 2.657 2.539
8 HA PRO 9 HA PRO 9 -14.456 5.376 -3.024
9 HB2 PRO 9 2HB PRO 9 -11.768 5.552 -2.759
10 HB3 PRO 9 1HB PRO 9 -12.830 6.890 -2.311
11 HG2 PRO 9 2HG PRO 9 -11.561 4.816 -0.568
12 HG3 PRO 9 1HG PRO 9 -11.671 6.568 -0.317
13 HD2 PRO 9 2HD PRO 9 -13.343 4.822 0.899
14 HD3 PRO 9 1HD PRO 9 -13.860 6.450 0.420
15 HA PRO 10 HA PRO 10 -13.244 1.287 -4.369
16 HB2 PRO 10 2HB PRO 10 -11.246 2.447 -6.219
17 HB3 PRO 10 1HB PRO 10 -12.661 1.463 -6.591
18 HG2 PRO 10 2HG PRO 10 -12.595 4.080 -7.163
19 HG3 PRO 10 1HG PRO 10 -14.083 3.284 -6.631
20 HD2 PRO 10 2HD PRO 10 -12.212 5.020 -5.090
21 HD3 PRO 10 1HD PRO 10 -13.986 4.949 -5.048
22 H LYS 11 H LYS 11 -11.888 -0.067 -3.353
23 HA LYS 11 HA LYS 11 -9.385 1.045 -2.319
24 HB2 LYS 11 2HB LYS 11 -10.812 -1.441 -1.405
25 HB3 LYS 11 1HB LYS 11 -9.463 -0.667 -0.626
26 HG2 LYS 11 2HG LYS 11 -12.232 0.518 -0.860
27 HG3 LYS 11 1HG LYS 11 -11.569 -0.253 0.575
28 HD2 LYS 11 2HD LYS 11 -10.482 2.247 -0.739
29 HD3 LYS 11 1HD LYS 11 -11.493 2.211 0.700
30 HE2 LYS 11 2HE LYS 11 -9.744 0.904 1.863
31 HE3 LYS 11 1HE LYS 11 -8.729 1.023 0.428
32 HZ1 LYS 11 3HZ LYS 11 -8.145 2.721 2.061
33 HZ2 LYS 11 1HZ LYS 11 -9.722 3.292 2.046
34 HZ3 LYS 11 2HZ LYS 11 -8.816 3.460 0.667
35 HA PRO 12 HA PRO 12 -7.574 -1.917 -5.222
36 HB2 PRO 12 2HB PRO 12 -5.054 -0.639 -4.569
37 HB3 PRO 12 1HB PRO 12 -5.912 -0.627 -6.110
38 HG2 PRO 12 2HG PRO 12 -5.612 1.580 -4.507
39 HG3 PRO 12 1HG PRO 12 -6.921 1.358 -5.674
40 HD2 PRO 12 2HD PRO 12 -6.987 1.009 -2.693
41 HD3 PRO 12 1HD PRO 12 -8.217 1.623 -3.819
42 H LYS 13 H LYS 13 -6.252 -3.698 -4.798
43 HA LYS 13 HA LYS 13 -5.274 -3.907 -2.067
44 HB2 LYS 13 2HB LYS 13 -5.958 -6.279 -2.037
45 HB3 LYS 13 1HB LYS 13 -7.318 -5.185 -2.205
46 HG2 LYS 13 2HG LYS 13 -7.251 -5.659 -4.684
47 HG3 LYS 13 1HG LYS 13 -6.079 -6.925 -4.326
48 HD2 LYS 13 2HD LYS 13 -8.252 -7.932 -4.471
49 HD3 LYS 13 1HD LYS 13 -7.757 -7.945 -2.780
50 HE2 LYS 13 2HE LYS 13 -9.130 -5.939 -2.359
51 HE3 LYS 13 1HE LYS 13 -9.604 -5.921 -4.054
52 HZ1 LYS 13 3HZ LYS 13 -10.231 -8.042 -2.079
53 HZ2 LYS 13 1HZ LYS 13 -10.702 -8.060 -3.709
54 HZ3 LYS 13 2HZ LYS 13 -11.280 -6.869 -2.675
55 H CYS 14 H CYS 14 -3.387 -5.091 -1.803
56 HA CYS 14 HA CYS 14 -1.953 -5.700 -4.273
57 HB2 CYS 14 2HB CYS 14 0.000 -4.468 -3.464
58 HB3 CYS 14 1HB CYS 14 -1.387 -3.405 -3.640
59 H ARG 15 H ARG 15 0.074 -6.839 -3.778
60 HA ARG 15 HA ARG 15 -0.092 -8.488 -1.336
61 HB2 ARG 15 2HB ARG 15 0.793 -9.355 -4.096
62 HB3 ARG 15 1HB ARG 15 0.728 -10.362 -2.664
63 HG2 ARG 15 2HG ARG 15 -1.706 -10.128 -2.614
64 HG3 ARG 15 1HG ARG 15 -1.625 -9.139 -4.075
65 HD2 ARG 15 2HD ARG 15 -0.588 -11.010 -5.267
66 HD3 ARG 15 1HD ARG 15 -0.706 -11.994 -3.812
67 HE ARG 15 HE ARG 15 -3.149 -10.848 -4.899
68 HH11 ARG 15 1HH1 ARG 15 -1.116 -13.736 -4.517
69 HH12 ARG 15 2HH1 ARG 15 -2.380 -14.813 -4.847
70 HH21 ARG 15 1HH2 ARG 15 -4.844 -12.336 -5.380
71 HH22 ARG 15 2HH2 ARG 15 -4.536 -14.019 -5.368
72 H CYS 16 H CYS 16 1.365 -6.047 -1.836
73 HA CYS 16 HA CYS 16 4.030 -6.335 -2.610
74 HB2 CYS 16 2HB CYS 16 2.898 -4.453 -0.525
75 HB3 CYS 16 1HB CYS 16 4.469 -4.299 -1.296
76 H GLY 17 H GLY 17 5.291 -7.856 -1.831
77 HA2 GLY 17 2HA GLY 17 6.843 -8.127 0.143
78 HA3 GLY 17 1HA GLY 17 5.354 -8.318 1.079
79 H ILE 18 H ILE 18 3.818 -9.752 -0.612
80 HA ILE 18 HA ILE 18 4.907 -12.403 -0.496
81 HB ILE 18 HB ILE 18 2.374 -11.342 -1.775
82 HG12 ILE 18 2HG1 ILE 18 2.616 -10.811 0.637
83 HG13 ILE 18 1HG1 ILE 18 1.211 -11.779 0.260
84 HG21 ILE 18 1HG2 ILE 18 1.516 -13.626 -1.538
85 HG22 ILE 18 2HG2 ILE 18 3.079 -14.143 -0.901
86 HG23 ILE 18 3HG2 ILE 18 2.950 -13.569 -2.563
87 HD11 ILE 18 3HD1 ILE 18 2.447 -13.773 1.072
88 HD12 ILE 18 1HD1 ILE 18 2.272 -12.530 2.310
89 HD13 ILE 18 2HD1 ILE 18 3.815 -12.729 1.476
90 H SER 19 H SER 19 4.227 -9.901 -2.811
91 HA SER 19 HA SER 19 5.981 -11.077 -4.762
92 HB2 SER 19 2HB SER 19 4.187 -10.644 -6.548
93 HB3 SER 19 1HB SER 19 3.930 -12.057 -5.522
94 HG SER 19 HG SER 19 2.691 -10.553 -4.181
95 H GLY 20 H GLY 20 5.946 -9.337 -6.721
96 HA2 GLY 20 2HA GLY 20 6.019 -7.169 -7.399
97 HA3 GLY 20 1HA GLY 20 5.400 -6.659 -5.832
98 H SER 21 H SER 21 6.790 -6.106 -4.246
99 HA SER 21 HA SER 21 9.619 -6.521 -4.601
100 HB2 SER 21 2HB SER 21 9.074 -4.439 -5.893
101 HB3 SER 21 1HB SER 21 8.435 -3.730 -4.412
102 HG SER 21 HG SER 21 11.032 -4.315 -5.178
103 H SER 22 H SER 22 9.993 -7.432 -2.647
104 HA SER 22 HA SER 22 8.653 -6.528 -0.265
105 HB2 SER 22 2HB SER 22 10.960 -8.458 -0.560
106 HB3 SER 22 1HB SER 22 9.815 -8.355 0.777
107 HG SER 22 HG SER 22 8.469 -9.559 -0.299
108 H ASN 23 H ASN 23 9.560 -5.077 1.164
109 HA ASN 23 HA ASN 23 12.355 -4.295 0.835
110 HB2 ASN 23 2HB ASN 23 9.992 -2.401 0.599
111 HB3 ASN 23 1HB ASN 23 11.634 -1.862 0.896
112 HD21 ASN 23 1HD2 ASN 23 9.451 -3.245 -1.442
113 HD22 ASN 23 2HD2 ASN 23 10.454 -3.010 -2.818
114 H THR 24 H THR 24 12.319 -2.125 2.618
115 HA THR 24 HA THR 24 11.456 -3.454 5.064
116 HB THR 24 HB THR 24 13.269 -1.050 4.726
117 HG1 THR 24 1HG THR 24 13.798 -3.844 4.835
118 HG21 THR 24 3HG2 THR 24 12.253 -1.259 6.950
119 HG22 THR 24 1HG2 THR 24 13.981 -1.606 7.020
120 HG23 THR 24 2HG2 THR 24 12.815 -2.929 7.055
121 H LEU 25 H LEU 25 11.627 -0.137 3.752
122 HA LEU 25 HA LEU 25 9.143 0.520 5.189
123 HB2 LEU 25 2HB LEU 25 11.218 2.344 3.984
124 HB3 LEU 25 1HB LEU 25 9.793 2.851 4.862
125 HG LEU 25 HG LEU 25 12.158 1.372 5.997
126 HD11 LEU 25 1HD1 LEU 25 11.186 4.196 6.375
127 HD12 LEU 25 2HD1 LEU 25 12.609 3.699 5.461
128 HD13 LEU 25 3HD1 LEU 25 12.552 3.453 7.206
129 HD21 LEU 25 3HD2 LEU 25 9.650 2.386 7.329
130 HD22 LEU 25 1HD2 LEU 25 11.071 1.765 8.168
131 HD23 LEU 25 2HD2 LEU 25 10.126 0.698 7.133
132 H THR 26 H THR 26 10.767 0.582 2.072
133 HA THR 26 HA THR 26 8.709 2.103 0.866
134 HB THR 26 HB THR 26 10.085 1.668 -1.213
135 HG1 THR 26 1HG THR 26 11.907 0.617 -1.017
136 HG21 THR 26 3HG2 THR 26 11.860 3.209 -0.493
137 HG22 THR 26 1HG2 THR 26 11.426 2.922 1.190
138 HG23 THR 26 2HG2 THR 26 10.283 3.720 0.110
139 H THR 27 H THR 27 8.301 -0.887 1.831
140 HA THR 27 HA THR 27 7.869 -2.524 -0.362
141 HB THR 27 HB THR 27 6.133 -2.535 2.104
142 HG1 THR 27 1HG THR 27 7.793 -3.309 3.249
143 HG21 THR 27 3HG2 THR 27 7.409 -4.726 0.451
144 HG22 THR 27 1HG2 THR 27 5.713 -4.246 0.383
145 HG23 THR 27 2HG2 THR 27 6.361 -4.971 1.851
146 H CYS 28 H CYS 28 5.263 -0.899 1.490
147 HA CYS 28 HA CYS 28 3.725 -0.793 -0.935
148 HB2 CYS 28 2HB CYS 28 2.915 -0.414 1.929
149 HB3 CYS 28 1HB CYS 28 1.859 0.106 0.631
150 H ARG 29 H ARG 29 5.940 1.147 0.326
151 HA ARG 29 HA ARG 29 4.502 3.638 -0.182
152 HB2 ARG 29 2HB ARG 29 6.068 3.241 1.840
153 HB3 ARG 29 1HB ARG 29 7.372 3.452 0.678
154 HG2 ARG 29 2HG ARG 29 6.512 5.668 0.116
155 HG3 ARG 29 1HG ARG 29 5.256 5.484 1.334
156 HD2 ARG 29 2HD ARG 29 6.946 6.728 2.394
157 HD3 ARG 29 1HD ARG 29 7.144 5.073 2.975
158 HE ARG 29 HE ARG 29 8.725 5.606 0.675
159 HH11 ARG 29 1HH1 ARG 29 8.672 5.983 4.204
160 HH12 ARG 29 2HH1 ARG 29 10.354 6.231 4.326
161 HH21 ARG 29 1HH2 ARG 29 11.026 5.924 0.860
162 HH22 ARG 29 2HH2 ARG 29 11.731 6.181 2.385
163 H ASN 30 H ASN 30 5.984 1.521 -2.119
164 HA ASN 30 HA ASN 30 7.207 3.656 -3.698
165 HB2 ASN 30 2HB ASN 30 8.572 2.082 -4.858
166 HB3 ASN 30 1HB ASN 30 8.658 1.599 -3.171
167 HD21 ASN 30 1HD2 ASN 30 7.739 -0.363 -2.586
168 HD22 ASN 30 2HD2 ASN 30 7.213 -1.523 -3.752
169 H SER 31 H SER 31 6.934 3.249 -6.161
170 HA SER 31 HA SER 31 4.147 3.543 -6.508
171 HB2 SER 31 2HB SER 31 6.373 3.678 -8.532
172 HB3 SER 31 1HB SER 31 4.701 4.185 -8.794
173 HG SER 31 HG SER 31 6.057 5.898 -8.233
174 H ARG 32 H ARG 32 5.856 0.679 -6.498
175 HA ARG 32 HA ARG 32 4.329 -0.602 -8.598
176 HB2 ARG 32 2HB ARG 32 5.974 -1.847 -6.373
177 HB3 ARG 32 1HB ARG 32 5.265 -2.717 -7.719
178 HG2 ARG 32 2HG ARG 32 7.405 -0.609 -7.923
179 HG3 ARG 32 1HG ARG 32 7.675 -2.348 -7.977
180 HD2 ARG 32 2HD ARG 32 6.273 -2.477 -9.996
181 HD3 ARG 32 1HD ARG 32 6.068 -0.723 -9.951
182 HE ARG 32 HE ARG 32 8.788 -1.292 -9.905
183 HH11 ARG 32 1HH1 ARG 32 6.093 -1.558 -12.142
184 HH12 ARG 32 2HH1 ARG 32 7.029 -1.405 -13.556
185 HH21 ARG 32 1HH2 ARG 32 10.098 -1.085 -11.803
186 HH22 ARG 32 2HH2 ARG 32 9.368 -1.122 -13.361
187 H CYS 33 H CYS 33 3.615 0.549 -5.598
188 HA CYS 33 HA CYS 33 1.700 -1.547 -5.008
189 HB2 CYS 33 2HB CYS 33 3.048 -0.729 -3.136
190 HB3 CYS 33 1HB CYS 33 2.473 0.907 -3.426
191 HA PRO 34 HA PRO 34 -1.263 0.880 -7.409
192 HB2 PRO 34 2HB PRO 34 -3.434 -0.682 -6.633
193 HB3 PRO 34 1HB PRO 34 -2.396 -0.992 -8.026
194 HG2 PRO 34 2HG PRO 34 -2.347 -2.204 -5.307
195 HG3 PRO 34 1HG PRO 34 -2.031 -2.961 -6.877
196 HD2 PRO 34 2HD PRO 34 -0.072 -2.321 -5.189
197 HD3 PRO 34 1HD PRO 34 0.153 -2.190 -6.943
198 H CYS 35 H CYS 35 -1.767 -0.094 -4.101
199 HA CYS 35 HA CYS 35 -3.923 1.563 -3.359
200 HB2 CYS 35 2HB CYS 35 -1.596 0.631 -1.706
201 HB3 CYS 35 1HB CYS 35 -3.130 1.213 -1.079
202 H TYR 36 H TYR 36 -0.501 1.955 -2.829
203 HA TYR 36 HA TYR 36 -0.343 4.478 -1.754
204 HB2 TYR 36 2HB TYR 36 1.557 3.036 -1.805
205 HB3 TYR 36 1HB TYR 36 1.505 2.928 -3.556
206 HD1 TYR 36 2HD TYR 36 2.364 5.111 -0.716
207 HD2 TYR 36 1HD TYR 36 2.569 4.548 -4.919
208 HE1 TYR 36 2HE TYR 36 3.983 6.942 -0.878
209 HE2 TYR 36 1HE TYR 36 4.168 6.347 -5.119
210 HH TYR 36 HH TYR 36 4.784 8.397 -3.785
211 H LYS 37 H LYS 37 -0.040 3.562 -5.138
212 HA LYS 37 HA LYS 37 0.309 6.154 -6.141
213 HB2 LYS 37 2HB LYS 37 1.028 3.990 -7.182
214 HB3 LYS 37 1HB LYS 37 -0.639 3.677 -7.600
215 HG2 LYS 37 2HG LYS 37 0.833 6.104 -8.550
216 HG3 LYS 37 1HG LYS 37 0.947 4.577 -9.404
217 HD2 LYS 37 2HD LYS 37 -1.634 6.091 -8.883
218 HD3 LYS 37 1HD LYS 37 -0.752 6.107 -10.411
219 HE2 LYS 37 2HE LYS 37 -2.018 3.681 -9.102
220 HE3 LYS 37 1HE LYS 37 -2.648 4.557 -10.491
221 HZ1 LYS 37 3HZ LYS 37 -0.670 3.920 -11.740
222 HZ2 LYS 37 1HZ LYS 37 -1.454 2.548 -11.153
223 HZ3 LYS 37 2HZ LYS 37 -0.054 3.117 -10.413
224 H SER 38 H SER 38 -2.582 4.216 -5.605
225 HA SER 38 HA SER 38 -4.219 6.244 -6.880
226 HB2 SER 38 2HB SER 38 -4.905 3.493 -5.851
227 HB3 SER 38 1HB SER 38 -6.040 4.586 -6.646
228 HG SER 38 HG SER 38 -4.128 2.976 -7.744
229 H TYR 39 H TYR 39 -2.890 6.404 -4.093
230 HA TYR 39 HA TYR 39 -3.327 7.536 -2.170
231 HB2 TYR 39 2HB TYR 39 -5.687 8.461 -3.808
232 HB3 TYR 39 1HB TYR 39 -5.379 9.071 -2.189
233 HD1 TYR 39 1HD TYR 39 -3.923 8.820 -5.602
234 HD2 TYR 39 2HD TYR 39 -3.793 10.756 -1.819
235 HE1 TYR 39 1HE TYR 39 -2.343 10.473 -6.505
236 HE2 TYR 39 2HE TYR 39 -2.222 12.411 -2.712
237 HH TYR 39 HH TYR 39 -1.638 12.782 -5.991
238 H ASN 40 H ASN 40 -4.062 4.845 -2.129
239 HA ASN 40 HA ASN 40 -6.193 5.024 -0.162
240 HB2 ASN 40 2HB ASN 40 -6.039 3.108 -2.418
241 HB3 ASN 40 1HB ASN 40 -6.698 2.557 -0.882
242 HD21 ASN 40 1HD2 ASN 40 -7.197 4.652 -3.610
243 HD22 ASN 40 2HD2 ASN 40 -8.819 5.057 -3.191
244 H SER 41 H SER 41 -6.226 3.669 1.496
245 HA SER 41 HA SER 41 -3.737 2.809 2.519
246 HB2 SER 41 2HB SER 41 -5.311 2.143 4.383
247 HB3 SER 41 1HB SER 41 -5.280 3.862 3.966
248 HG SER 41 HG SER 41 -7.374 2.929 4.229
249 H CYS 42 H CYS 42 -3.531 0.650 3.446
250 HA CYS 42 HA CYS 42 -4.377 -1.301 1.522
251 HB2 CYS 42 2HB CYS 42 -2.204 -1.292 3.591
252 HB3 CYS 42 1HB CYS 42 -2.677 -2.775 2.740
253 H ALA 43 H ALA 43 -6.400 -1.104 2.273
254 HA ALA 43 HA ALA 43 -7.008 -2.725 4.666
255 HB1 ALA 43 1HB ALA 43 -8.893 -1.045 3.003
256 HB2 ALA 43 2HB ALA 43 -8.144 -0.547 4.520
257 HB3 ALA 43 3HB ALA 43 -9.297 -1.883 4.504
258 H GLY 44 H GLY 44 -6.912 -4.853 4.101
259 HA2 GLY 44 2HA GLY 44 -8.149 -6.703 3.261
260 HA3 GLY 44 1HA GLY 44 -8.680 -5.692 1.921
261 H CYS 45 H CYS 45 -5.398 -5.412 2.706
262 HA CYS 45 HA CYS 45 -4.724 -6.679 0.160
263 HB2 CYS 45 2HB CYS 45 -3.032 -4.973 1.985
264 HB3 CYS 45 1HB CYS 45 -2.597 -5.531 0.375
265 H HIS 46 H HIS 46 -2.554 -7.785 0.147
266 HA HIS 46 HA HIS 46 -2.117 -9.318 2.599
267 HB2 HIS 46 2HB HIS 46 -1.991 -10.282 -0.272
268 HB3 HIS 46 1HB HIS 46 -1.166 -11.127 1.026
269 HD1 HIS 46 1HD HIS 46 -2.668 -12.302 2.816
270 HD2 HIS 46 2HD HIS 46 -4.737 -10.717 -0.411
271 HE1 HIS 46 1HE HIS 46 -4.933 -13.340 2.900
272 HE2 HIS 46 2HE HIS 46 -6.231 -12.046 1.213
273 H CYS 47 H CYS 47 -1.016 -6.979 2.301
274 HA CYS 47 HA CYS 47 1.610 -7.325 1.162
275 HB2 CYS 47 2HB CYS 47 1.925 -4.931 1.829
276 HB3 CYS 47 1HB CYS 47 0.645 -5.222 0.668
277 H VAL 48 H VAL 48 3.434 -7.311 2.287
278 HA VAL 48 HA VAL 48 3.195 -7.789 5.183
279 HB VAL 48 HB VAL 48 5.118 -9.149 3.256
280 HG11 VAL 48 1HG1 VAL 48 4.734 -9.554 6.225
281 HG12 VAL 48 2HG1 VAL 48 6.121 -8.791 5.455
282 HG13 VAL 48 3HG1 VAL 48 5.795 -10.503 5.183
283 HG21 VAL 48 3HG2 VAL 48 2.849 -10.011 3.030
284 HG22 VAL 48 1HG2 VAL 48 2.769 -10.279 4.771
285 HG23 VAL 48 2HG2 VAL 48 3.899 -11.211 3.788
286 H GLY 49 H GLY 49 4.160 -6.243 6.249
287 HA2 GLY 49 2HA GLY 49 5.917 -4.854 6.886
288 HA3 GLY 49 1HA GLY 49 6.748 -5.302 5.390
289 H CYS 50 H CYS 50 3.512 -4.088 5.865
290 HA CYS 50 HA CYS 50 3.786 -2.306 3.679
291 HB2 CYS 50 2HB CYS 50 1.728 -3.430 3.859
292 HB3 CYS 50 1HB CYS 50 1.554 -2.990 5.555
293 H LYS 51 H LYS 51 4.953 -0.546 4.081
294 HA LYS 51 HA LYS 51 3.852 1.132 6.179
295 HB2 LYS 51 2HB LYS 51 6.539 1.323 4.739
296 HB3 LYS 51 1HB LYS 51 5.899 2.617 5.716
297 HG2 LYS 51 2HG LYS 51 7.546 1.437 6.998
298 HG3 LYS 51 1HG LYS 51 5.966 1.109 7.696
299 HD2 LYS 51 2HD LYS 51 5.920 -1.064 6.572
300 HD3 LYS 51 1HD LYS 51 7.487 -0.738 5.845
301 HE2 LYS 51 2HE LYS 51 8.514 -0.651 8.063
302 HE3 LYS 51 1HE LYS 51 6.942 -0.927 8.812
303 HZ1 LYS 51 3HZ LYS 51 8.309 -2.831 6.982
304 HZ2 LYS 51 1HZ LYS 51 6.847 -3.096 7.787
305 HZ3 LYS 51 2HZ LYS 51 8.278 -2.978 8.653
306 H ASN 52 H ASN 52 2.103 1.731 5.112
307 HA ASN 52 HA ASN 52 2.470 3.102 2.545
308 HB2 ASN 52 2HB ASN 52 0.885 1.207 2.514
309 HB3 ASN 52 1HB ASN 52 -0.102 1.924 3.751
310 HD21 ASN 52 1HD2 ASN 52 -1.098 1.154 1.329
311 HD22 ASN 52 2HD2 ASN 52 -1.607 2.560 0.456
312 HA PRO 53 HA PRO 53 1.850 6.686 5.194
313 HB2 PRO 53 2HB PRO 53 2.392 8.568 3.338
314 HB3 PRO 53 1HB PRO 53 3.659 7.578 4.076
315 HG2 PRO 53 2HG PRO 53 2.329 7.262 1.415
316 HG3 PRO 53 1HG PRO 53 4.044 7.122 1.827
317 HD2 PRO 53 2HD PRO 53 2.392 4.964 1.523
318 HD3 PRO 53 1HD PRO 53 3.800 4.945 2.602
319 H HIS 54 H HIS 54 -0.023 5.671 2.569
320 HA HIS 54 HA HIS 54 -1.814 7.946 2.717
321 HB2 HIS 54 2HB HIS 54 -1.936 5.459 0.994
322 HB3 HIS 54 1HB HIS 54 -3.176 6.702 0.999
323 HD1 HIS 54 1HD HIS 54 -2.675 8.855 -0.233
324 HD2 HIS 54 2HD HIS 54 0.480 6.179 -0.266
325 HE1 HIS 54 1HE HIS 54 -1.071 9.727 -1.968
326 HE2 HIS 54 2HE HIS 54 0.603 7.912 -2.199
327 H LYS 55 H LYS 55 -2.299 7.690 4.785
328 HA LYS 55 HA LYS 55 -3.837 5.386 5.682
329 HB2 LYS 55 2HB LYS 55 -2.086 7.042 6.948
330 HB3 LYS 55 1HB LYS 55 -3.564 7.936 7.238
331 HG2 LYS 55 2HG LYS 55 -3.015 5.091 8.076
332 HG3 LYS 55 1HG LYS 55 -2.982 6.508 9.119
333 HD2 LYS 55 2HD LYS 55 -5.332 6.862 8.773
334 HD3 LYS 55 1HD LYS 55 -5.392 5.556 7.600
335 HE2 LYS 55 2HE LYS 55 -4.647 3.993 9.412
336 HE3 LYS 55 1HE LYS 55 -4.814 5.328 10.545
337 HZ1 LYS 55 3HZ LYS 55 -7.126 5.456 10.101
338 HZ2 LYS 55 1HZ LYS 55 -6.774 3.836 10.409
339 HZ3 LYS 55 2HZ LYS 55 -7.003 4.360 8.816
340 H GLU 56 H GLU 56 -6.160 5.532 5.692
341 HA GLU 56 HA GLU 56 -7.201 7.478 3.965
342 HB2 GLU 56 2HB GLU 56 -9.490 6.664 4.536
343 HB3 GLU 56 1HB GLU 56 -8.395 5.401 4.013
344 HG2 GLU 56 2HG GLU 56 -8.982 5.939 6.913
345 HG3 GLU 56 1HG GLU 56 -9.977 4.870 5.927
346 H ASP 57 H ASP 57 -7.932 9.343 4.175
347 HA ASP 57 HA ASP 57 -7.601 10.755 6.630
348 HB2 ASP 57 2HB ASP 57 -8.912 11.690 4.062
349 HB3 ASP 57 1HB ASP 57 -8.406 12.725 5.389
350 H TYR 58 H TYR 58 -8.963 10.204 8.177
351 HA TYR 58 HA TYR 58 -11.817 10.419 7.579
352 HB2 TYR 58 2HB TYR 58 -11.172 8.049 7.915
353 HB3 TYR 58 1HB TYR 58 -10.492 8.460 9.480
354 HD1 TYR 58 2HD TYR 58 -13.655 8.256 7.566
355 HD2 TYR 58 1HD TYR 58 -11.859 8.548 11.396
356 HE1 TYR 58 2HE TYR 58 -15.842 7.828 8.618
357 HE2 TYR 58 1HE TYR 58 -14.030 8.122 12.453
358 HH TYR 58 HH TYR 58 -16.698 6.974 10.793
359 H VAL 59 H VAL 59 -11.968 12.476 8.261
360 HA VAL 59 HA VAL 59 -11.128 13.025 10.983
361 HB VAL 59 HB VAL 59 -11.514 15.493 10.338
362 HG11 VAL 59 1HG1 VAL 59 -9.284 14.508 10.554
363 HG12 VAL 59 2HG1 VAL 59 -9.330 15.654 9.213
364 HG13 VAL 59 3HG1 VAL 59 -9.375 13.921 8.894
365 HG21 VAL 59 3HG2 VAL 59 -11.367 16.007 7.924
366 HG22 VAL 59 1HG2 VAL 59 -12.847 15.123 8.306
367 HG23 VAL 59 2HG2 VAL 59 -11.482 14.289 7.558
Start of MODEL 2
1 H1 SER 8 1HT SER 8 -18.945 3.486 -7.222
2 H2 SER 8 2HT SER 8 -18.449 4.873 -8.061
3 H3 SER 8 3HT SER 8 -19.743 4.965 -7.010
4 HA SER 8 HA SER 8 -17.763 5.921 -6.071
5 HB2 SER 8 2HB SER 8 -18.524 3.293 -4.758
6 HB3 SER 8 1HB SER 8 -17.809 4.687 -3.957
7 HG SER 8 HG SER 8 -19.816 5.810 -4.871
8 HA PRO 9 HA PRO 9 -13.949 4.125 -7.475
9 HB2 PRO 9 2HB PRO 9 -12.315 5.195 -5.506
10 HB3 PRO 9 1HB PRO 9 -12.757 6.006 -7.007
11 HG2 PRO 9 2HG PRO 9 -13.857 6.344 -4.270
12 HG3 PRO 9 1HG PRO 9 -13.650 7.534 -5.563
13 HD2 PRO 9 2HD PRO 9 -16.051 6.480 -4.916
14 HD3 PRO 9 1HD PRO 9 -15.637 6.982 -6.568
15 HA PRO 10 HA PRO 10 -13.684 0.607 -4.615
16 HB2 PRO 10 2HB PRO 10 -12.024 -0.555 -6.745
17 HB3 PRO 10 1HB PRO 10 -13.560 -1.137 -6.104
18 HG2 PRO 10 2HG PRO 10 -13.334 -0.105 -8.582
19 HG3 PRO 10 1HG PRO 10 -14.805 0.065 -7.610
20 HD2 PRO 10 2HD PRO 10 -12.627 2.052 -8.114
21 HD3 PRO 10 1HD PRO 10 -14.392 2.276 -8.037
22 H LYS 11 H LYS 11 -11.960 -0.060 -3.297
23 HA LYS 11 HA LYS 11 -9.594 1.550 -3.717
24 HB2 LYS 11 2HB LYS 11 -9.075 1.220 -1.335
25 HB3 LYS 11 1HB LYS 11 -10.621 2.000 -1.587
26 HG2 LYS 11 2HG LYS 11 -11.704 -0.198 -1.153
27 HG3 LYS 11 1HG LYS 11 -10.113 -0.841 -0.758
28 HD2 LYS 11 2HD LYS 11 -11.485 1.458 0.668
29 HD3 LYS 11 1HD LYS 11 -11.395 -0.196 1.257
30 HE2 LYS 11 2HE LYS 11 -9.722 0.934 2.461
31 HE3 LYS 11 1HE LYS 11 -8.838 0.125 1.179
32 HZ1 LYS 11 3HZ LYS 11 -8.081 2.382 1.538
33 HZ2 LYS 11 1HZ LYS 11 -9.590 3.025 1.241
34 HZ3 LYS 11 2HZ LYS 11 -8.752 2.317 -0.017
35 HA PRO 12 HA PRO 12 -7.505 -2.027 -5.279
36 HB2 PRO 12 2HB PRO 12 -5.141 -0.351 -4.649
37 HB3 PRO 12 1HB PRO 12 -5.579 -1.159 -6.156
38 HG2 PRO 12 2HG PRO 12 -5.864 1.458 -5.921
39 HG3 PRO 12 1HG PRO 12 -7.083 0.480 -6.760
40 HD2 PRO 12 2HD PRO 12 -7.174 1.675 -4.026
41 HD3 PRO 12 1HD PRO 12 -8.446 1.520 -5.262
42 H LYS 13 H LYS 13 -6.262 -3.650 -4.578
43 HA LYS 13 HA LYS 13 -5.272 -3.618 -1.827
44 HB2 LYS 13 2HB LYS 13 -6.690 -5.866 -3.280
45 HB3 LYS 13 1HB LYS 13 -6.013 -5.978 -1.661
46 HG2 LYS 13 2HG LYS 13 -7.608 -4.374 -0.824
47 HG3 LYS 13 1HG LYS 13 -8.223 -4.083 -2.447
48 HD2 LYS 13 2HD LYS 13 -8.417 -6.657 -0.884
49 HD3 LYS 13 1HD LYS 13 -9.727 -5.521 -1.203
50 HE2 LYS 13 2HE LYS 13 -9.357 -5.927 -3.657
51 HE3 LYS 13 1HE LYS 13 -8.233 -7.202 -3.199
52 HZ1 LYS 13 3HZ LYS 13 -10.374 -8.114 -3.670
53 HZ2 LYS 13 1HZ LYS 13 -11.113 -7.105 -2.542
54 HZ3 LYS 13 2HZ LYS 13 -10.060 -8.314 -2.033
55 H CYS 14 H CYS 14 -3.422 -5.082 -1.590
56 HA CYS 14 HA CYS 14 -2.156 -5.765 -4.143
57 HB2 CYS 14 2HB CYS 14 -0.083 -4.687 -3.460
58 HB3 CYS 14 1HB CYS 14 -1.399 -3.517 -3.543
59 H ARG 15 H ARG 15 -0.118 -6.952 -3.774
60 HA ARG 15 HA ARG 15 -0.198 -8.677 -1.394
61 HB2 ARG 15 2HB ARG 15 0.500 -9.392 -4.259
62 HB3 ARG 15 1HB ARG 15 0.658 -10.476 -2.887
63 HG2 ARG 15 2HG ARG 15 -1.742 -10.453 -2.554
64 HG3 ARG 15 1HG ARG 15 -1.934 -9.293 -3.868
65 HD2 ARG 15 2HD ARG 15 -2.459 -11.521 -4.658
66 HD3 ARG 15 1HD ARG 15 -0.990 -10.928 -5.431
67 HE ARG 15 HE ARG 15 -0.870 -12.742 -3.115
68 HH11 ARG 15 1HH1 ARG 15 -0.028 -12.037 -6.482
69 HH12 ARG 15 2HH1 ARG 15 0.974 -13.405 -6.665
70 HH21 ARG 15 1HH2 ARG 15 0.465 -14.657 -3.379
71 HH22 ARG 15 2HH2 ARG 15 1.232 -14.942 -4.861
72 H CYS 16 H CYS 16 1.200 -6.182 -1.996
73 HA CYS 16 HA CYS 16 3.870 -6.427 -2.695
74 HB2 CYS 16 2HB CYS 16 2.598 -4.602 -0.654
75 HB3 CYS 16 1HB CYS 16 4.263 -4.451 -1.186
76 H GLY 17 H GLY 17 5.669 -7.177 -1.736
77 HA2 GLY 17 2HA GLY 17 6.942 -7.717 0.217
78 HA3 GLY 17 1HA GLY 17 5.429 -8.178 1.013
79 H ILE 18 H ILE 18 4.196 -9.455 -1.018
80 HA ILE 18 HA ILE 18 5.648 -11.953 -1.222
81 HB ILE 18 HB ILE 18 2.893 -11.212 -2.283
82 HG12 ILE 18 2HG1 ILE 18 3.660 -12.475 0.359
83 HG13 ILE 18 1HG1 ILE 18 2.991 -10.878 0.128
84 HG21 ILE 18 1HG2 ILE 18 2.489 -13.632 -2.303
85 HG22 ILE 18 2HG2 ILE 18 4.133 -13.905 -1.734
86 HG23 ILE 18 3HG2 ILE 18 3.861 -13.204 -3.331
87 HD11 ILE 18 3HD1 ILE 18 0.898 -11.830 -0.692
88 HD12 ILE 18 1HD1 ILE 18 1.288 -12.423 0.924
89 HD13 ILE 18 2HD1 ILE 18 1.554 -13.456 -0.481
90 H SER 19 H SER 19 4.218 -9.411 -3.165
91 HA SER 19 HA SER 19 6.245 -9.656 -5.193
92 HB2 SER 19 2HB SER 19 3.292 -9.929 -5.841
93 HB3 SER 19 1HB SER 19 4.574 -9.717 -7.036
94 HG SER 19 HG SER 19 5.106 -11.711 -5.288
95 H GLY 20 H GLY 20 6.970 -7.617 -5.118
96 HA2 GLY 20 2HA GLY 20 5.387 -5.459 -6.036
97 HA3 GLY 20 1HA GLY 20 5.636 -5.343 -4.297
98 H SER 21 H SER 21 8.015 -5.923 -3.705
99 HA SER 21 HA SER 21 10.084 -5.290 -5.478
100 HB2 SER 21 2HB SER 21 10.787 -3.149 -4.278
101 HB3 SER 21 1HB SER 21 9.354 -2.983 -5.292
102 HG SER 21 HG SER 21 9.419 -2.118 -3.015
103 H SER 22 H SER 22 12.191 -5.363 -4.264
104 HA SER 22 HA SER 22 11.854 -7.087 -1.960
105 HB2 SER 22 2HB SER 22 13.412 -7.797 -3.780
106 HB3 SER 22 1HB SER 22 14.397 -6.369 -3.462
107 HG SER 22 HG SER 22 14.525 -8.730 -2.303
108 H ASN 23 H ASN 23 11.099 -5.486 -0.608
109 HA ASN 23 HA ASN 23 13.119 -3.950 0.730
110 HB2 ASN 23 2HB ASN 23 12.293 -2.521 -1.204
111 HB3 ASN 23 1HB ASN 23 10.685 -2.607 -0.511
112 HD21 ASN 23 1HD2 ASN 23 12.503 -0.368 -1.078
113 HD22 ASN 23 2HD2 ASN 23 12.641 0.512 0.396
114 H THR 24 H THR 24 12.344 -3.487 2.863
115 HA THR 24 HA THR 24 10.028 -5.100 3.569
116 HB THR 24 HB THR 24 11.173 -4.851 5.872
117 HG1 THR 24 1HG THR 24 12.841 -3.599 5.729
118 HG21 THR 24 3HG2 THR 24 12.452 -6.432 3.630
119 HG22 THR 24 1HG2 THR 24 11.062 -6.950 4.586
120 HG23 THR 24 2HG2 THR 24 12.641 -6.760 5.352
121 H LEU 25 H LEU 25 10.953 -1.859 3.268
122 HA LEU 25 HA LEU 25 8.807 -1.116 5.085
123 HB2 LEU 25 2HB LEU 25 9.952 0.968 5.729
124 HB3 LEU 25 1HB LEU 25 10.785 -0.468 6.263
125 HG LEU 25 HG LEU 25 11.672 1.093 3.823
126 HD11 LEU 25 1HD1 LEU 25 13.296 2.170 5.292
127 HD12 LEU 25 2HD1 LEU 25 12.562 1.375 6.686
128 HD13 LEU 25 3HD1 LEU 25 11.645 2.569 5.771
129 HD21 LEU 25 3HD2 LEU 25 12.564 -1.196 4.051
130 HD22 LEU 25 1HD2 LEU 25 13.132 -0.805 5.674
131 HD23 LEU 25 2HD2 LEU 25 13.822 0.018 4.275
132 H THR 26 H THR 26 10.628 -0.015 2.212
133 HA THR 26 HA THR 26 8.597 1.946 1.704
134 HB THR 26 HB THR 26 10.660 1.246 -0.350
135 HG1 THR 26 1HG THR 26 11.180 2.588 2.146
136 HG21 THR 26 3HG2 THR 26 9.103 3.133 -0.697
137 HG22 THR 26 1HG2 THR 26 10.770 3.697 -0.563
138 HG23 THR 26 2HG2 THR 26 9.672 3.872 0.801
139 H THR 27 H THR 27 8.322 -1.166 1.534
140 HA THR 27 HA THR 27 7.887 -2.201 -0.928
141 HB THR 27 HB THR 27 6.185 -2.757 1.474
142 HG1 THR 27 1HG THR 27 8.558 -4.015 1.570
143 HG21 THR 27 3HG2 THR 27 6.488 -5.041 0.793
144 HG22 THR 27 1HG2 THR 27 7.709 -4.578 -0.409
145 HG23 THR 27 2HG2 THR 27 6.034 -4.104 -0.633
146 H CYS 28 H CYS 28 5.314 -1.039 1.251
147 HA CYS 28 HA CYS 28 3.585 -0.629 -1.020
148 HB2 CYS 28 2HB CYS 28 3.053 -0.598 1.930
149 HB3 CYS 28 1HB CYS 28 1.828 -0.070 0.783
150 H ARG 29 H ARG 29 5.830 1.136 0.349
151 HA ARG 29 HA ARG 29 4.426 3.703 0.395
152 HB2 ARG 29 2HB ARG 29 6.041 2.892 2.198
153 HB3 ARG 29 1HB ARG 29 7.302 3.134 1.000
154 HG2 ARG 29 2HG ARG 29 6.824 5.509 0.937
155 HG3 ARG 29 1HG ARG 29 5.503 5.290 2.090
156 HD2 ARG 29 2HD ARG 29 7.155 4.345 3.698
157 HD3 ARG 29 1HD ARG 29 8.434 4.765 2.562
158 HE ARG 29 HE ARG 29 6.872 7.033 3.117
159 HH11 ARG 29 1HH1 ARG 29 9.403 5.017 4.518
160 HH12 ARG 29 2HH1 ARG 29 9.883 6.133 5.698
161 HH21 ARG 29 1HH2 ARG 29 7.524 8.624 4.729
162 HH22 ARG 29 2HH2 ARG 29 8.745 8.233 5.838
163 H ASN 30 H ASN 30 5.616 1.915 -2.009
164 HA ASN 30 HA ASN 30 6.737 4.258 -3.355
165 HB2 ASN 30 2HB ASN 30 8.381 2.961 -4.540
166 HB3 ASN 30 1HB ASN 30 8.410 2.349 -2.912
167 HD21 ASN 30 1HD2 ASN 30 7.799 0.291 -2.510
168 HD22 ASN 30 2HD2 ASN 30 7.424 -0.861 -3.742
169 H SER 31 H SER 31 6.545 3.907 -5.886
170 HA SER 31 HA SER 31 3.733 4.007 -6.202
171 HB2 SER 31 2HB SER 31 5.919 4.409 -8.226
172 HB3 SER 31 1HB SER 31 4.225 4.871 -8.408
173 HG SER 31 HG SER 31 4.962 6.677 -7.598
174 H ARG 32 H ARG 32 5.673 1.309 -6.348
175 HA ARG 32 HA ARG 32 4.311 0.109 -8.601
176 HB2 ARG 32 2HB ARG 32 6.148 -1.169 -6.559
177 HB3 ARG 32 1HB ARG 32 5.579 -1.930 -8.041
178 HG2 ARG 32 2HG ARG 32 6.718 -0.280 -9.374
179 HG3 ARG 32 1HG ARG 32 7.219 0.579 -7.922
180 HD2 ARG 32 2HD ARG 32 8.478 -1.478 -7.252
181 HD3 ARG 32 1HD ARG 32 8.095 -2.153 -8.844
182 HE ARG 32 HE ARG 32 9.152 0.440 -9.039
183 HH11 ARG 32 1HH1 ARG 32 10.206 -2.926 -8.639
184 HH12 ARG 32 2HH1 ARG 32 11.789 -2.616 -9.166
185 HH21 ARG 32 1HH2 ARG 32 11.296 0.830 -9.778
186 HH22 ARG 32 2HH2 ARG 32 12.430 -0.463 -9.827
187 H CYS 33 H CYS 33 3.686 0.668 -5.383
188 HA CYS 33 HA CYS 33 1.915 -1.569 -5.007
189 HB2 CYS 33 2HB CYS 33 3.102 -0.645 -3.074
190 HB3 CYS 33 1HB CYS 33 2.386 0.933 -3.360
191 HA PRO 34 HA PRO 34 -1.122 0.579 -7.528
192 HB2 PRO 34 2HB PRO 34 -3.222 -1.117 -6.928
193 HB3 PRO 34 1HB PRO 34 -2.025 -1.418 -8.191
194 HG2 PRO 34 2HG PRO 34 -2.154 -2.490 -5.406
195 HG3 PRO 34 1HG PRO 34 -1.685 -3.313 -6.901
196 HD2 PRO 34 2HD PRO 34 0.128 -2.477 -5.130
197 HD3 PRO 34 1HD PRO 34 0.452 -2.411 -6.876
198 H CYS 35 H CYS 35 -1.533 -0.251 -4.220
199 HA CYS 35 HA CYS 35 -3.871 1.255 -3.634
200 HB2 CYS 35 2HB CYS 35 -1.579 0.531 -1.815
201 HB3 CYS 35 1HB CYS 35 -3.189 1.028 -1.307
202 H TYR 36 H TYR 36 -0.489 1.873 -2.842
203 HA TYR 36 HA TYR 36 -0.635 4.494 -1.994
204 HB2 TYR 36 2HB TYR 36 1.346 3.159 -1.659
205 HB3 TYR 36 1HB TYR 36 1.564 2.969 -3.386
206 HD1 TYR 36 2HD TYR 36 2.426 4.829 -4.740
207 HD2 TYR 36 1HD TYR 36 2.133 5.144 -0.513
208 HE1 TYR 36 2HE TYR 36 3.930 6.713 -4.822
209 HE2 TYR 36 1HE TYR 36 3.669 7.062 -0.544
210 HH TYR 36 HH TYR 36 4.435 8.693 -3.393
211 H LYS 37 H LYS 37 -0.086 3.207 -5.221
212 HA LYS 37 HA LYS 37 0.394 5.679 -6.468
213 HB2 LYS 37 2HB LYS 37 0.929 3.256 -7.225
214 HB3 LYS 37 1HB LYS 37 -0.692 3.284 -7.900
215 HG2 LYS 37 2HG LYS 37 -0.043 5.317 -9.188
216 HG3 LYS 37 1HG LYS 37 1.594 5.085 -8.559
217 HD2 LYS 37 2HD LYS 37 1.696 2.873 -9.592
218 HD3 LYS 37 1HD LYS 37 0.063 3.073 -10.217
219 HE2 LYS 37 2HE LYS 37 1.542 3.557 -12.011
220 HE3 LYS 37 1HE LYS 37 0.909 5.099 -11.454
221 HZ1 LYS 37 3HZ LYS 37 3.255 5.235 -11.847
222 HZ2 LYS 37 1HZ LYS 37 3.550 3.949 -10.805
223 HZ3 LYS 37 2HZ LYS 37 2.968 5.435 -10.203
224 H SER 38 H SER 38 -2.538 4.003 -5.628
225 HA SER 38 HA SER 38 -4.151 5.879 -7.205
226 HB2 SER 38 2HB SER 38 -4.988 3.388 -5.712
227 HB3 SER 38 1HB SER 38 -6.027 4.369 -6.741
228 HG SER 38 HG SER 38 -3.882 2.699 -7.418
229 H TYR 39 H TYR 39 -2.655 6.162 -4.496
230 HA TYR 39 HA TYR 39 -2.831 7.445 -2.651
231 HB2 TYR 39 2HB TYR 39 -5.479 8.326 -3.832
232 HB3 TYR 39 1HB TYR 39 -4.658 9.117 -2.491
233 HD1 TYR 39 1HD TYR 39 -4.675 8.549 -6.107
234 HD2 TYR 39 2HD TYR 39 -2.679 10.487 -2.894
235 HE1 TYR 39 1HE TYR 39 -3.457 9.942 -7.714
236 HE2 TYR 39 2HE TYR 39 -1.461 11.892 -4.499
237 HH TYR 39 HH TYR 39 -2.370 12.103 -7.720
238 H ASN 40 H ASN 40 -3.982 4.726 -2.755
239 HA ASN 40 HA ASN 40 -6.010 4.933 -0.667
240 HB2 ASN 40 2HB ASN 40 -5.533 2.912 -2.783
241 HB3 ASN 40 1HB ASN 40 -6.231 2.376 -1.257
242 HD21 ASN 40 1HD2 ASN 40 -6.702 4.367 -4.078
243 HD22 ASN 40 2HD2 ASN 40 -8.384 4.585 -3.871
244 H SER 41 H SER 41 -6.078 3.289 0.919
245 HA SER 41 HA SER 41 -3.540 2.870 2.197
246 HB2 SER 41 2HB SER 41 -5.103 2.178 4.006
247 HB3 SER 41 1HB SER 41 -5.303 3.845 3.455
248 HG SER 41 HG SER 41 -7.143 2.238 3.726
249 H CYS 42 H CYS 42 -3.355 0.756 3.337
250 HA CYS 42 HA CYS 42 -4.128 -1.357 1.528
251 HB2 CYS 42 2HB CYS 42 -1.843 -1.170 3.464
252 HB3 CYS 42 1HB CYS 42 -2.326 -2.696 2.713
253 H ALA 43 H ALA 43 -6.163 -1.089 2.472
254 HA ALA 43 HA ALA 43 -6.460 -2.724 4.900
255 HB1 ALA 43 1HB ALA 43 -8.400 -0.759 3.662
256 HB2 ALA 43 2HB ALA 43 -7.473 -0.520 5.148
257 HB3 ALA 43 3HB ALA 43 -8.728 -1.753 5.080
258 H GLY 44 H GLY 44 -6.917 -4.741 4.425
259 HA2 GLY 44 2HA GLY 44 -8.251 -6.431 3.463
260 HA3 GLY 44 1HA GLY 44 -8.696 -5.313 2.168
261 H CYS 45 H CYS 45 -5.467 -5.238 2.991
262 HA CYS 45 HA CYS 45 -4.757 -6.601 0.505
263 HB2 CYS 45 2HB CYS 45 -3.119 -4.849 2.331
264 HB3 CYS 45 1HB CYS 45 -2.548 -5.566 0.832
265 H HIS 46 H HIS 46 -2.765 -7.912 0.593
266 HA HIS 46 HA HIS 46 -2.527 -9.260 3.178
267 HB2 HIS 46 2HB HIS 46 -2.415 -10.519 0.423
268 HB3 HIS 46 1HB HIS 46 -2.031 -11.365 1.920
269 HD1 HIS 46 1HD HIS 46 -4.051 -11.872 3.543
270 HD2 HIS 46 2HD HIS 46 -5.118 -10.207 -0.100
271 HE1 HIS 46 1HE HIS 46 -6.534 -12.130 3.379
272 HE2 HIS 46 2HE HIS 46 -7.169 -10.966 1.261
273 H CYS 47 H CYS 47 -1.209 -7.041 2.110
274 HA CYS 47 HA CYS 47 1.339 -7.731 1.116
275 HB2 CYS 47 2HB CYS 47 1.858 -5.300 1.579
276 HB3 CYS 47 1HB CYS 47 0.524 -5.602 0.480
277 H VAL 48 H VAL 48 3.281 -7.679 2.072
278 HA VAL 48 HA VAL 48 3.333 -8.015 4.995
279 HB VAL 48 HB VAL 48 5.169 -9.237 2.899
280 HG11 VAL 48 1HG1 VAL 48 6.322 -8.858 5.002
281 HG12 VAL 48 2HG1 VAL 48 6.079 -10.582 4.716
282 HG13 VAL 48 3HG1 VAL 48 5.055 -9.731 5.868
283 HG21 VAL 48 3HG2 VAL 48 2.958 -10.257 2.808
284 HG22 VAL 48 1HG2 VAL 48 3.015 -10.561 4.545
285 HG23 VAL 48 2HG2 VAL 48 4.141 -11.388 3.463
286 H GLY 49 H GLY 49 4.570 -6.548 6.028
287 HA2 GLY 49 2HA GLY 49 6.254 -4.977 6.409
288 HA3 GLY 49 1HA GLY 49 6.927 -5.382 4.827
289 H CYS 50 H CYS 50 3.768 -4.162 5.851
290 HA CYS 50 HA CYS 50 3.862 -2.400 3.600
291 HB2 CYS 50 2HB CYS 50 1.866 -3.628 3.749
292 HB3 CYS 50 1HB CYS 50 1.664 -3.238 5.455
293 H LYS 51 H LYS 51 4.913 -0.562 4.060
294 HA LYS 51 HA LYS 51 3.796 0.964 6.293
295 HB2 LYS 51 2HB LYS 51 6.352 1.440 4.722
296 HB3 LYS 51 1HB LYS 51 5.758 2.476 6.001
297 HG2 LYS 51 2HG LYS 51 6.400 -0.403 6.506
298 HG3 LYS 51 1HG LYS 51 7.664 0.813 6.470
299 HD2 LYS 51 2HD LYS 51 6.972 0.323 8.770
300 HD3 LYS 51 1HD LYS 51 6.599 1.983 8.354
301 HE2 LYS 51 2HE LYS 51 4.441 -0.034 8.001
302 HE3 LYS 51 1HE LYS 51 4.905 0.358 9.647
303 HZ1 LYS 51 3HZ LYS 51 3.078 1.732 8.858
304 HZ2 LYS 51 1HZ LYS 51 4.010 2.389 7.624
305 HZ3 LYS 51 2HZ LYS 51 4.403 2.664 9.235
306 H ASN 52 H ASN 52 1.972 1.559 5.276
307 HA ASN 52 HA ASN 52 2.316 3.056 2.793
308 HB2 ASN 52 2HB ASN 52 0.671 1.170 2.782
309 HB3 ASN 52 1HB ASN 52 -0.262 1.980 4.021
310 HD21 ASN 52 1HD2 ASN 52 -1.160 1.212 1.436
311 HD22 ASN 52 2HD2 ASN 52 -1.641 2.654 0.602
312 HA PRO 53 HA PRO 53 1.998 6.682 5.457
313 HB2 PRO 53 2HB PRO 53 1.668 7.987 2.811
314 HB3 PRO 53 1HB PRO 53 2.817 8.352 4.104
315 HG2 PRO 53 2HG PRO 53 3.595 7.132 1.868
316 HG3 PRO 53 1HG PRO 53 4.280 6.691 3.438
317 HD2 PRO 53 2HD PRO 53 2.249 5.252 1.786
318 HD3 PRO 53 1HD PRO 53 3.563 4.612 2.802
319 H HIS 54 H HIS 54 -0.248 5.590 3.059
320 HA HIS 54 HA HIS 54 -2.221 7.622 3.700
321 HB2 HIS 54 2HB HIS 54 -2.471 5.205 1.886
322 HB3 HIS 54 1HB HIS 54 -3.682 6.463 2.076
323 HD1 HIS 54 1HD HIS 54 -3.351 8.600 0.718
324 HD2 HIS 54 2HD HIS 54 -0.188 5.942 0.438
325 HE1 HIS 54 1HE HIS 54 -1.929 9.451 -1.156
326 HE2 HIS 54 2HE HIS 54 0.122 8.072 -1.000
327 H LYS 55 H LYS 55 -2.674 7.238 5.770
328 HA LYS 55 HA LYS 55 -3.759 4.627 6.449
329 HB2 LYS 55 2HB LYS 55 -2.108 5.724 7.998
330 HB3 LYS 55 1HB LYS 55 -3.214 7.052 8.219
331 HG2 LYS 55 2HG LYS 55 -3.931 4.222 9.005
332 HG3 LYS 55 1HG LYS 55 -3.027 5.281 10.076
333 HD2 LYS 55 2HD LYS 55 -5.798 5.805 8.982
334 HD3 LYS 55 1HD LYS 55 -5.423 5.266 10.620
335 HE2 LYS 55 2HE LYS 55 -4.139 7.353 10.971
336 HE3 LYS 55 1HE LYS 55 -4.596 7.876 9.350
337 HZ1 LYS 55 3HZ LYS 55 -6.377 7.501 11.692
338 HZ2 LYS 55 1HZ LYS 55 -6.939 7.679 10.097
339 HZ3 LYS 55 2HZ LYS 55 -6.050 8.902 10.804
340 H GLU 56 H GLU 56 -5.564 4.658 5.285
341 HA GLU 56 HA GLU 56 -7.408 6.911 5.472
342 HB2 GLU 56 2HB GLU 56 -6.828 5.977 3.260
343 HB3 GLU 56 1HB GLU 56 -7.494 4.435 3.756
344 HG2 GLU 56 2HG GLU 56 -9.698 5.556 4.015
345 HG3 GLU 56 1HG GLU 56 -8.967 7.011 3.329
346 H ASP 57 H ASP 57 -8.048 6.567 7.537
347 HA ASP 57 HA ASP 57 -10.271 4.888 8.028
348 HB2 ASP 57 2HB ASP 57 -8.308 3.244 8.245
349 HB3 ASP 57 1HB ASP 57 -7.736 4.351 9.497
350 H TYR 58 H TYR 58 -11.298 6.355 9.208
351 HA TYR 58 HA TYR 58 -9.695 8.434 10.335
352 HB2 TYR 58 2HB TYR 58 -11.912 9.624 10.864
353 HB3 TYR 58 1HB TYR 58 -11.426 9.457 9.188
354 HD1 TYR 58 2HD TYR 58 -13.827 8.370 11.753
355 HD2 TYR 58 1HD TYR 58 -12.685 8.078 7.667
356 HE1 TYR 58 2HE TYR 58 -16.009 7.367 11.218
357 HE2 TYR 58 1HE TYR 58 -14.859 7.084 7.123
358 HH TYR 58 HH TYR 58 -17.467 7.108 9.279
359 H VAL 59 H VAL 59 -8.763 7.073 11.719
360 HA VAL 59 HA VAL 59 -9.849 7.387 14.394
361 HB VAL 59 HB VAL 59 -8.119 5.060 13.430
362 HG11 VAL 59 1HG1 VAL 59 -8.466 4.136 15.679
363 HG12 VAL 59 2HG1 VAL 59 -9.352 5.591 16.131
364 HG13 VAL 59 3HG1 VAL 59 -7.640 5.694 15.722
365 HG21 VAL 59 3HG2 VAL 59 -10.042 3.597 13.900
366 HG22 VAL 59 1HG2 VAL 59 -10.417 4.766 12.632
367 HG23 VAL 59 2HG2 VAL 59 -11.026 5.006 14.272
Start of MODEL 3
1 H1 SER 8 1HT SER 8 -15.381 8.740 -0.799
2 H2 SER 8 2HT SER 8 -15.996 7.164 -0.739
3 H3 SER 8 3HT SER 8 -15.933 7.988 -2.217
4 HA SER 8 HA SER 8 -13.573 8.010 -2.120
5 HB2 SER 8 2HB SER 8 -14.024 6.380 0.394
6 HB3 SER 8 1HB SER 8 -12.453 6.763 -0.323
7 HG SER 8 HG SER 8 -13.414 8.201 1.477
8 HA PRO 9 HA PRO 9 -14.275 4.337 -4.496
9 HB2 PRO 9 2HB PRO 9 -11.785 3.750 -5.339
10 HB3 PRO 9 1HB PRO 9 -12.625 5.204 -5.893
11 HG2 PRO 9 2HG PRO 9 -10.557 4.922 -3.745
12 HG3 PRO 9 1HG PRO 9 -10.673 6.139 -5.031
13 HD2 PRO 9 2HD PRO 9 -11.499 6.597 -2.481
14 HD3 PRO 9 1HD PRO 9 -12.245 7.372 -3.887
15 HA PRO 10 HA PRO 10 -13.466 0.621 -2.097
16 HB2 PRO 10 2HB PRO 10 -12.704 -0.733 -4.629
17 HB3 PRO 10 1HB PRO 10 -13.961 -1.168 -3.465
18 HG2 PRO 10 2HG PRO 10 -14.602 -0.110 -5.824
19 HG3 PRO 10 1HG PRO 10 -15.485 0.342 -4.352
20 HD2 PRO 10 2HD PRO 10 -13.356 1.845 -5.820
21 HD3 PRO 10 1HD PRO 10 -14.859 2.435 -5.076
22 H LYS 11 H LYS 11 -11.745 -0.596 -1.327
23 HA LYS 11 HA LYS 11 -9.180 0.623 -1.588
24 HB2 LYS 11 2HB LYS 11 -9.945 -1.909 -0.155
25 HB3 LYS 11 1HB LYS 11 -8.477 -0.980 0.081
26 HG2 LYS 11 2HG LYS 11 -11.235 0.072 0.622
27 HG3 LYS 11 1HG LYS 11 -10.202 -0.653 1.849
28 HD2 LYS 11 2HD LYS 11 -8.542 1.105 1.451
29 HD3 LYS 11 1HD LYS 11 -9.582 1.796 0.199
30 HE2 LYS 11 2HE LYS 11 -11.314 2.214 1.824
31 HE3 LYS 11 1HE LYS 11 -10.354 1.439 3.082
32 HZ1 LYS 11 3HZ LYS 11 -9.598 3.906 1.623
33 HZ2 LYS 11 1HZ LYS 11 -8.703 3.158 2.840
34 HZ3 LYS 11 2HZ LYS 11 -10.215 3.845 3.171
35 HA PRO 12 HA PRO 12 -7.714 -2.308 -4.736
36 HB2 PRO 12 2HB PRO 12 -5.171 -0.887 -4.371
37 HB3 PRO 12 1HB PRO 12 -6.146 -1.042 -5.833
38 HG2 PRO 12 2HG PRO 12 -5.898 1.302 -4.495
39 HG3 PRO 12 1HG PRO 12 -7.372 0.856 -5.371
40 HD2 PRO 12 2HD PRO 12 -6.811 0.730 -2.427
41 HD3 PRO 12 1HD PRO 12 -8.288 1.221 -3.295
42 H LYS 13 H LYS 13 -6.424 -4.124 -4.435
43 HA LYS 13 HA LYS 13 -5.330 -4.358 -1.718
44 HB2 LYS 13 2HB LYS 13 -6.212 -6.679 -3.467
45 HB3 LYS 13 1HB LYS 13 -5.843 -6.667 -1.742
46 HG2 LYS 13 2HG LYS 13 -8.202 -5.266 -2.990
47 HG3 LYS 13 1HG LYS 13 -8.263 -6.834 -2.192
48 HD2 LYS 13 2HD LYS 13 -7.574 -5.828 -0.093
49 HD3 LYS 13 1HD LYS 13 -7.364 -4.267 -0.884
50 HE2 LYS 13 2HE LYS 13 -9.453 -4.379 0.379
51 HE3 LYS 13 1HE LYS 13 -9.740 -4.145 -1.340
52 HZ1 LYS 13 3HZ LYS 13 -9.988 -6.729 0.118
53 HZ2 LYS 13 1HZ LYS 13 -10.280 -6.516 -1.518
54 HZ3 LYS 13 2HZ LYS 13 -11.256 -5.760 -0.371
55 H CYS 14 H CYS 14 -3.241 -4.884 -1.510
56 HA CYS 14 HA CYS 14 -1.801 -5.521 -3.975
57 HB2 CYS 14 2HB CYS 14 0.136 -4.251 -3.046
58 HB3 CYS 14 1HB CYS 14 -1.266 -3.255 -3.398
59 H ARG 15 H ARG 15 0.276 -6.588 -3.614
60 HA ARG 15 HA ARG 15 0.194 -8.476 -1.354
61 HB2 ARG 15 2HB ARG 15 0.737 -9.040 -4.282
62 HB3 ARG 15 1HB ARG 15 0.974 -10.207 -2.989
63 HG2 ARG 15 2HG ARG 15 -1.378 -10.196 -2.483
64 HG3 ARG 15 1HG ARG 15 -1.661 -8.914 -3.660
65 HD2 ARG 15 2HD ARG 15 -0.973 -10.401 -5.447
66 HD3 ARG 15 1HD ARG 15 -0.646 -11.686 -4.284
67 HE ARG 15 HE ARG 15 -3.285 -10.742 -4.007
68 HH11 ARG 15 1HH1 ARG 15 -1.311 -12.673 -6.203
69 HH12 ARG 15 2HH1 ARG 15 -2.588 -13.675 -6.711
70 HH21 ARG 15 1HH2 ARG 15 -5.064 -12.103 -4.716
71 HH22 ARG 15 2HH2 ARG 15 -4.782 -13.303 -5.888
72 H CYS 16 H CYS 16 1.579 -6.062 -1.654
73 HA CYS 16 HA CYS 16 4.194 -6.153 -2.565
74 HB2 CYS 16 2HB CYS 16 3.125 -4.612 -0.196
75 HB3 CYS 16 1HB CYS 16 4.618 -4.284 -1.066
76 H GLY 17 H GLY 17 5.936 -7.114 -1.889
77 HA2 GLY 17 2HA GLY 17 7.481 -7.593 -0.082
78 HA3 GLY 17 1HA GLY 17 6.091 -7.987 0.915
79 H ILE 18 H ILE 18 4.743 -9.492 -1.137
80 HA ILE 18 HA ILE 18 6.219 -11.945 -0.704
81 HB ILE 18 HB ILE 18 3.488 -11.605 -1.979
82 HG12 ILE 18 2HG1 ILE 18 4.283 -12.173 0.886
83 HG13 ILE 18 1HG1 ILE 18 3.529 -10.713 0.289
84 HG21 ILE 18 1HG2 ILE 18 3.222 -13.999 -1.420
85 HG22 ILE 18 2HG2 ILE 18 4.867 -14.034 -0.799
86 HG23 ILE 18 3HG2 ILE 18 4.582 -13.747 -2.516
87 HD11 ILE 18 3HD1 ILE 18 2.263 -13.437 0.290
88 HD12 ILE 18 1HD1 ILE 18 1.515 -11.943 -0.276
89 HD13 ILE 18 2HD1 ILE 18 1.929 -12.133 1.430
90 H SER 19 H SER 19 4.696 -10.321 -3.445
91 HA SER 19 HA SER 19 6.797 -11.402 -5.166
92 HB2 SER 19 2HB SER 19 5.005 -11.831 -6.904
93 HB3 SER 19 1HB SER 19 4.941 -12.890 -5.491
94 HG SER 19 HG SER 19 2.981 -12.245 -5.304
95 H GLY 20 H GLY 20 4.053 -9.173 -4.902
96 HA2 GLY 20 2HA GLY 20 5.051 -7.424 -6.939
97 HA3 GLY 20 1HA GLY 20 3.679 -7.133 -5.871
98 H SER 21 H SER 21 6.003 -5.483 -6.676
99 HA SER 21 HA SER 21 7.300 -3.890 -5.843
100 HB2 SER 21 2HB SER 21 6.046 -4.555 -3.170
101 HB3 SER 21 1HB SER 21 7.031 -3.128 -3.505
102 HG SER 21 HG SER 21 4.728 -3.792 -4.981
103 H SER 22 H SER 22 9.359 -4.043 -5.836
104 HA SER 22 HA SER 22 10.683 -6.339 -4.770
105 HB2 SER 22 2HB SER 22 11.791 -3.844 -6.057
106 HB3 SER 22 1HB SER 22 12.623 -5.394 -5.864
107 HG SER 22 HG SER 22 10.374 -5.979 -6.981
108 H ASN 23 H ASN 23 10.172 -2.988 -3.963
109 HA ASN 23 HA ASN 23 12.021 -2.846 -1.827
110 HB2 ASN 23 2HB ASN 23 9.463 -1.318 -2.328
111 HB3 ASN 23 1HB ASN 23 10.516 -1.038 -0.952
112 HD21 ASN 23 1HD2 ASN 23 12.504 -0.023 -1.292
113 HD22 ASN 23 2HD2 ASN 23 12.868 0.806 -2.757
114 H THR 24 H THR 24 11.959 -4.186 -0.194
115 HA THR 24 HA THR 24 9.445 -5.455 0.489
116 HB THR 24 HB THR 24 12.152 -6.047 1.675
117 HG1 THR 24 1HG THR 24 11.447 -6.094 -0.894
118 HG21 THR 24 3HG2 THR 24 9.723 -7.767 1.069
119 HG22 THR 24 1HG2 THR 24 10.171 -7.170 2.668
120 HG23 THR 24 2HG2 THR 24 11.209 -8.328 1.833
121 H LEU 25 H LEU 25 11.432 -2.927 1.593
122 HA LEU 25 HA LEU 25 10.081 -2.895 4.202
123 HB2 LEU 25 2HB LEU 25 12.468 -1.299 3.257
124 HB3 LEU 25 1HB LEU 25 11.790 -1.272 4.872
125 HG LEU 25 HG LEU 25 13.114 -3.654 3.573
126 HD11 LEU 25 1HD1 LEU 25 14.702 -1.897 4.113
127 HD12 LEU 25 2HD1 LEU 25 14.898 -3.287 5.179
128 HD13 LEU 25 3HD1 LEU 25 14.084 -1.835 5.764
129 HD21 LEU 25 3HD2 LEU 25 12.975 -4.669 5.810
130 HD22 LEU 25 1HD2 LEU 25 11.376 -4.343 5.140
131 HD23 LEU 25 2HD2 LEU 25 12.046 -3.280 6.375
132 H THR 26 H THR 26 10.670 -1.126 1.269
133 HA THR 26 HA THR 26 8.887 1.061 2.055
134 HB THR 26 HB THR 26 10.395 0.801 -0.563
135 HG1 THR 26 1HG THR 26 11.369 1.566 1.993
136 HG21 THR 26 3HG2 THR 26 10.527 3.254 -0.310
137 HG22 THR 26 1HG2 THR 26 9.615 3.130 1.191
138 HG23 THR 26 2HG2 THR 26 8.857 2.678 -0.335
139 H THR 27 H THR 27 7.848 -1.540 1.712
140 HA THR 27 HA THR 27 7.070 -2.622 -0.633
141 HB THR 27 HB THR 27 4.990 -3.172 0.871
142 HG1 THR 27 1HG THR 27 6.202 -2.969 3.137
143 HG21 THR 27 3HG2 THR 27 6.774 -4.774 0.276
144 HG22 THR 27 1HG2 THR 27 6.319 -4.927 1.973
145 HG23 THR 27 2HG2 THR 27 7.800 -4.079 1.534
146 H CYS 28 H CYS 28 4.950 -0.696 1.337
147 HA CYS 28 HA CYS 28 3.293 -0.245 -0.956
148 HB2 CYS 28 2HB CYS 28 2.750 0.234 1.943
149 HB3 CYS 28 1HB CYS 28 1.616 0.597 0.643
150 H ARG 29 H ARG 29 5.799 1.355 0.181
151 HA ARG 29 HA ARG 29 4.587 3.973 -0.381
152 HB2 ARG 29 2HB ARG 29 5.701 3.525 1.893
153 HB3 ARG 29 1HB ARG 29 7.227 3.582 1.023
154 HG2 ARG 29 2HG ARG 29 6.781 5.865 0.325
155 HG3 ARG 29 1HG ARG 29 5.196 5.795 1.067
156 HD2 ARG 29 2HD ARG 29 6.240 5.460 3.268
157 HD3 ARG 29 1HD ARG 29 7.832 5.610 2.523
158 HE ARG 29 HE ARG 29 6.597 7.873 1.752
159 HH11 ARG 29 1HH1 ARG 29 7.142 6.424 4.930
160 HH12 ARG 29 2HH1 ARG 29 7.074 7.895 5.771
161 HH21 ARG 29 1HH2 ARG 29 6.500 9.887 2.896
162 HH22 ARG 29 2HH2 ARG 29 6.684 9.916 4.595
163 H ASN 30 H ASN 30 5.505 2.045 -2.372
164 HA ASN 30 HA ASN 30 7.332 3.872 -3.712
165 HB2 ASN 30 2HB ASN 30 8.627 2.134 -4.742
166 HB3 ASN 30 1HB ASN 30 8.580 1.758 -3.024
167 HD21 ASN 30 1HD2 ASN 30 7.432 -0.041 -2.360
168 HD22 ASN 30 2HD2 ASN 30 6.860 -1.234 -3.462
169 H SER 31 H SER 31 7.312 3.414 -6.149
170 HA SER 31 HA SER 31 4.782 4.163 -6.975
171 HB2 SER 31 2HB SER 31 7.131 3.273 -8.626
172 HB3 SER 31 1HB SER 31 5.793 4.306 -9.143
173 HG SER 31 HG SER 31 6.419 5.833 -7.671
174 H ARG 32 H ARG 32 5.968 0.937 -6.577
175 HA ARG 32 HA ARG 32 4.312 -0.073 -8.741
176 HB2 ARG 32 2HB ARG 32 6.008 -1.620 -6.779
177 HB3 ARG 32 1HB ARG 32 5.226 -2.265 -8.212
178 HG2 ARG 32 2HG ARG 32 7.426 -0.216 -8.180
179 HG3 ARG 32 1HG ARG 32 7.624 -1.927 -8.536
180 HD2 ARG 32 2HD ARG 32 6.207 -1.684 -10.520
181 HD3 ARG 32 1HD ARG 32 5.968 0.024 -10.141
182 HE ARG 32 HE ARG 32 8.705 -0.509 -10.264
183 HH11 ARG 32 1HH1 ARG 32 5.974 -0.386 -12.541
184 HH12 ARG 32 2HH1 ARG 32 6.908 0.144 -13.851
185 HH21 ARG 32 1HH2 ARG 32 9.986 0.194 -12.110
186 HH22 ARG 32 2HH2 ARG 32 9.236 0.450 -13.613
187 H CYS 33 H CYS 33 3.664 0.893 -5.673
188 HA CYS 33 HA CYS 33 1.891 -1.328 -5.094
189 HB2 CYS 33 2HB CYS 33 3.159 -0.442 -3.209
190 HB3 CYS 33 1HB CYS 33 2.484 1.161 -3.471
191 HA PRO 34 HA PRO 34 -1.373 0.743 -7.328
192 HB2 PRO 34 2HB PRO 34 -3.408 -0.925 -6.460
193 HB3 PRO 34 1HB PRO 34 -2.348 -1.265 -7.831
194 HG2 PRO 34 2HG PRO 34 -2.211 -2.267 -5.029
195 HG3 PRO 34 1HG PRO 34 -1.868 -3.124 -6.542
196 HD2 PRO 34 2HD PRO 34 0.081 -2.213 -4.926
197 HD3 PRO 34 1HD PRO 34 0.277 -2.250 -6.690
198 H CYS 35 H CYS 35 -1.582 -0.041 -3.916
199 HA CYS 35 HA CYS 35 -3.796 1.611 -3.269
200 HB2 CYS 35 2HB CYS 35 -1.454 0.730 -1.587
201 HB3 CYS 35 1HB CYS 35 -2.844 1.596 -0.950
202 H TYR 36 H TYR 36 -0.356 2.098 -2.937
203 HA TYR 36 HA TYR 36 -0.254 4.690 -2.012
204 HB2 TYR 36 2HB TYR 36 1.657 3.220 -2.041
205 HB3 TYR 36 1HB TYR 36 1.622 3.157 -3.795
206 HD1 TYR 36 2HD TYR 36 2.389 5.283 -0.890
207 HD2 TYR 36 1HD TYR 36 2.644 4.845 -5.110
208 HE1 TYR 36 2HE TYR 36 3.958 7.139 -0.968
209 HE2 TYR 36 1HE TYR 36 4.214 6.683 -5.240
210 HH TYR 36 HH TYR 36 4.822 8.689 -3.859
211 H LYS 37 H LYS 37 -0.077 3.557 -5.359
212 HA LYS 37 HA LYS 37 0.254 6.148 -6.442
213 HB2 LYS 37 2HB LYS 37 0.984 3.900 -7.392
214 HB3 LYS 37 1HB LYS 37 -0.674 3.708 -7.928
215 HG2 LYS 37 2HG LYS 37 -0.468 5.759 -9.262
216 HG3 LYS 37 1HG LYS 37 1.209 5.899 -8.707
217 HD2 LYS 37 2HD LYS 37 1.742 3.748 -9.716
218 HD3 LYS 37 1HD LYS 37 0.077 3.574 -10.267
219 HE2 LYS 37 2HE LYS 37 0.334 5.581 -11.640
220 HE3 LYS 37 1HE LYS 37 2.003 5.740 -11.098
221 HZ1 LYS 37 3HZ LYS 37 1.868 4.678 -13.256
222 HZ2 LYS 37 1HZ LYS 37 0.884 3.462 -12.635
223 HZ3 LYS 37 2HZ LYS 37 2.490 3.588 -12.131
224 H SER 38 H SER 38 -2.549 4.217 -5.696
225 HA SER 38 HA SER 38 -4.329 6.024 -7.137
226 HB2 SER 38 2HB SER 38 -4.686 3.542 -7.229
227 HB3 SER 38 1HB SER 38 -4.963 3.543 -5.498
228 HG SER 38 HG SER 38 -6.741 3.730 -7.255
229 H TYR 39 H TYR 39 -2.726 6.076 -4.332
230 HA TYR 39 HA TYR 39 -2.782 7.248 -2.440
231 HB2 TYR 39 2HB TYR 39 -5.133 8.699 -3.690
232 HB3 TYR 39 1HB TYR 39 -4.175 9.272 -2.323
233 HD1 TYR 39 1HD TYR 39 -1.593 9.465 -2.780
234 HD2 TYR 39 2HD TYR 39 -4.563 9.393 -5.813
235 HE1 TYR 39 1HE TYR 39 -0.012 10.500 -4.348
236 HE2 TYR 39 2HE TYR 39 -2.995 10.430 -7.385
237 HH TYR 39 HH TYR 39 -1.001 11.842 -7.237
238 H ASN 40 H ASN 40 -4.140 4.786 -2.474
239 HA ASN 40 HA ASN 40 -6.239 5.240 -0.469
240 HB2 ASN 40 2HB ASN 40 -5.989 3.094 -2.547
241 HB3 ASN 40 1HB ASN 40 -6.856 2.778 -1.048
242 HD21 ASN 40 1HD2 ASN 40 -6.860 4.592 -4.048
243 HD22 ASN 40 2HD2 ASN 40 -8.480 5.120 -3.914
244 H SER 41 H SER 41 -6.474 3.469 1.136
245 HA SER 41 HA SER 41 -3.891 2.840 2.277
246 HB2 SER 41 2HB SER 41 -5.598 2.318 4.196
247 HB3 SER 41 1HB SER 41 -5.126 3.976 3.819
248 HG SER 41 HG SER 41 -7.243 4.035 3.864
249 H CYS 42 H CYS 42 -3.825 0.848 3.619
250 HA CYS 42 HA CYS 42 -4.479 -1.335 1.853
251 HB2 CYS 42 2HB CYS 42 -2.452 -1.091 4.042
252 HB3 CYS 42 1HB CYS 42 -2.835 -2.628 3.263
253 H ALA 43 H ALA 43 -6.564 -1.120 2.572
254 HA ALA 43 HA ALA 43 -7.053 -2.754 4.987
255 HB1 ALA 43 1HB ALA 43 -9.431 -2.100 4.779
256 HB2 ALA 43 2HB ALA 43 -9.015 -1.123 3.365
257 HB3 ALA 43 3HB ALA 43 -8.354 -0.718 4.951
258 H GLY 44 H GLY 44 -6.974 -4.849 4.533
259 HA2 GLY 44 2HA GLY 44 -8.036 -6.815 3.756
260 HA3 GLY 44 1HA GLY 44 -8.747 -5.883 2.448
261 H CYS 45 H CYS 45 -5.485 -5.283 2.914
262 HA CYS 45 HA CYS 45 -4.849 -6.482 0.368
263 HB2 CYS 45 2HB CYS 45 -3.149 -4.880 2.274
264 HB3 CYS 45 1HB CYS 45 -2.653 -5.404 0.669
265 H HIS 46 H HIS 46 -2.682 -7.648 0.181
266 HA HIS 46 HA HIS 46 -2.580 -9.683 2.320
267 HB2 HIS 46 2HB HIS 46 -3.396 -10.163 -0.145
268 HB3 HIS 46 1HB HIS 46 -1.683 -10.108 -0.513
269 HD1 HIS 46 1HD HIS 46 -4.238 -12.414 0.230
270 HD2 HIS 46 2HD HIS 46 -0.249 -12.116 1.294
271 HE1 HIS 46 1HE HIS 46 -3.558 -14.718 0.924
272 HE2 HIS 46 2HE HIS 46 -1.103 -14.549 1.372
273 H CYS 47 H CYS 47 -1.157 -7.050 1.560
274 HA CYS 47 HA CYS 47 1.537 -7.754 0.963
275 HB2 CYS 47 2HB CYS 47 1.981 -5.328 1.475
276 HB3 CYS 47 1HB CYS 47 0.836 -5.642 0.181
277 H VAL 48 H VAL 48 3.319 -7.682 2.242
278 HA VAL 48 HA VAL 48 2.752 -8.085 5.108
279 HB VAL 48 HB VAL 48 5.053 -9.246 3.515
280 HG11 VAL 48 1HG1 VAL 48 4.052 -9.888 6.284
281 HG12 VAL 48 2HG1 VAL 48 5.537 -9.027 5.879
282 HG13 VAL 48 3HG1 VAL 48 5.357 -10.726 5.444
283 HG21 VAL 48 3HG2 VAL 48 2.982 -10.205 2.695
284 HG22 VAL 48 1HG2 VAL 48 2.494 -10.592 4.345
285 HG23 VAL 48 2HG2 VAL 48 3.886 -11.406 3.623
286 H GLY 49 H GLY 49 3.628 -6.696 6.441
287 HA2 GLY 49 2HA GLY 49 4.905 -5.017 7.300
288 HA3 GLY 49 1HA GLY 49 6.214 -5.638 6.300
289 H CYS 50 H CYS 50 3.118 -4.047 5.688
290 HA CYS 50 HA CYS 50 4.429 -2.600 3.558
291 HB2 CYS 50 2HB CYS 50 2.348 -1.979 2.742
292 HB3 CYS 50 1HB CYS 50 2.143 -3.645 3.266
293 H LYS 51 H LYS 51 5.071 -0.609 3.652
294 HA LYS 51 HA LYS 51 4.096 1.074 5.847
295 HB2 LYS 51 2HB LYS 51 6.510 1.393 4.045
296 HB3 LYS 51 1HB LYS 51 6.003 2.576 5.239
297 HG2 LYS 51 2HG LYS 51 6.844 -0.245 5.837
298 HG3 LYS 51 1HG LYS 51 7.859 1.193 6.000
299 HD2 LYS 51 2HD LYS 51 6.306 2.105 7.663
300 HD3 LYS 51 1HD LYS 51 5.285 0.674 7.499
301 HE2 LYS 51 2HE LYS 51 8.151 0.668 8.422
302 HE3 LYS 51 1HE LYS 51 6.748 0.599 9.483
303 HZ1 LYS 51 3HZ LYS 51 7.723 -1.576 9.045
304 HZ2 LYS 51 1HZ LYS 51 7.415 -1.429 7.408
305 HZ3 LYS 51 2HZ LYS 51 6.139 -1.516 8.517
306 H ASN 52 H ASN 52 2.182 1.738 5.018
307 HA ASN 52 HA ASN 52 2.302 3.126 2.445
308 HB2 ASN 52 2HB ASN 52 0.639 1.241 2.661
309 HB3 ASN 52 1HB ASN 52 -0.164 2.135 3.936
310 HD21 ASN 52 1HD2 ASN 52 -1.357 1.283 1.538
311 HD22 ASN 52 2HD2 ASN 52 -1.870 2.696 0.675
312 HA PRO 53 HA PRO 53 2.187 6.858 5.025
313 HB2 PRO 53 2HB PRO 53 1.331 7.938 2.384
314 HB3 PRO 53 1HB PRO 53 2.578 8.539 3.476
315 HG2 PRO 53 2HG PRO 53 3.234 7.246 1.257
316 HG3 PRO 53 1HG PRO 53 4.138 6.994 2.758
317 HD2 PRO 53 2HD PRO 53 2.172 5.205 1.417
318 HD3 PRO 53 1HD PRO 53 3.604 4.804 2.384
319 H HIS 54 H HIS 54 -0.213 5.702 2.792
320 HA HIS 54 HA HIS 54 -2.288 7.461 3.809
321 HB2 HIS 54 2HB HIS 54 -2.488 5.257 1.752
322 HB3 HIS 54 1HB HIS 54 -3.753 6.394 2.176
323 HD1 HIS 54 1HD HIS 54 -3.591 8.727 1.219
324 HD2 HIS 54 2HD HIS 54 -0.418 6.277 0.225
325 HE1 HIS 54 1HE HIS 54 -2.408 9.909 -0.669
326 HE2 HIS 54 2HE HIS 54 -0.330 8.560 -1.023
327 H LYS 55 H LYS 55 -2.702 6.851 5.802
328 HA LYS 55 HA LYS 55 -3.818 4.141 6.121
329 HB2 LYS 55 2HB LYS 55 -1.826 4.788 7.560
330 HB3 LYS 55 1HB LYS 55 -2.889 5.926 8.377
331 HG2 LYS 55 2HG LYS 55 -4.327 4.134 9.122
332 HG3 LYS 55 1HG LYS 55 -3.404 2.960 8.190
333 HD2 LYS 55 2HD LYS 55 -2.340 4.608 10.448
334 HD3 LYS 55 1HD LYS 55 -2.902 2.935 10.595
335 HE2 LYS 55 2HE LYS 55 -1.172 2.244 8.970
336 HE3 LYS 55 1HE LYS 55 -0.595 3.905 8.889
337 HZ1 LYS 55 3HZ LYS 55 -0.538 2.150 11.291
338 HZ2 LYS 55 1HZ LYS 55 -0.013 3.759 11.255
339 HZ3 LYS 55 2HZ LYS 55 0.762 2.605 10.338
340 H GLU 56 H GLU 56 -4.869 6.667 5.075
341 HA GLU 56 HA GLU 56 -6.866 7.822 6.680
342 HB2 GLU 56 2HB GLU 56 -6.781 7.360 3.700
343 HB3 GLU 56 1HB GLU 56 -7.818 8.513 4.524
344 HG2 GLU 56 2HG GLU 56 -6.035 9.915 5.065
345 HG3 GLU 56 1HG GLU 56 -4.835 8.657 4.770
346 H ASP 57 H ASP 57 -9.009 7.213 6.999
347 HA ASP 57 HA ASP 57 -10.839 5.942 7.180
348 HB2 ASP 57 2HB ASP 57 -11.125 5.630 4.854
349 HB3 ASP 57 1HB ASP 57 -9.739 4.552 4.746
350 H TYR 58 H TYR 58 -7.877 4.435 7.185
351 HA TYR 58 HA TYR 58 -8.873 2.168 8.706
352 HB2 TYR 58 2HB TYR 58 -7.018 1.970 6.930
353 HB3 TYR 58 1HB TYR 58 -5.966 2.737 8.106
354 HD1 TYR 58 2HD TYR 58 -8.052 -0.242 7.462
355 HD2 TYR 58 1HD TYR 58 -4.996 1.466 9.874
356 HE1 TYR 58 2HE TYR 58 -7.607 -2.448 8.443
357 HE2 TYR 58 1HE TYR 58 -4.545 -0.739 10.860
358 HH TYR 58 HH TYR 58 -5.714 -2.796 11.222
359 H VAL 59 H VAL 59 -9.656 3.481 10.369
360 HA VAL 59 HA VAL 59 -7.627 4.530 12.157
361 HB VAL 59 HB VAL 59 -9.545 5.730 13.328
362 HG11 VAL 59 1HG1 VAL 59 -9.011 6.410 10.445
363 HG12 VAL 59 2HG1 VAL 59 -8.043 6.908 11.832
364 HG13 VAL 59 3HG1 VAL 59 -9.690 7.513 11.635
365 HG21 VAL 59 3HG2 VAL 59 -11.415 4.401 12.467
366 HG22 VAL 59 1HG2 VAL 59 -11.055 4.936 10.826
367 HG23 VAL 59 2HG2 VAL 59 -11.610 6.101 12.032
Start of MODEL 4
1 H1 SER 8 1HT SER 8 -18.140 1.651 1.928
2 H2 SER 8 2HT SER 8 -18.374 3.290 1.569
3 H3 SER 8 3HT SER 8 -17.636 2.794 3.042
4 HA SER 8 HA SER 8 -16.030 3.601 1.480
5 HB2 SER 8 2HB SER 8 -15.943 0.655 2.107
6 HB3 SER 8 1HB SER 8 -14.557 1.714 1.809
7 HG SER 8 HG SER 8 -14.818 1.520 3.954
8 HA PRO 9 HA PRO 9 -16.759 2.224 -2.702
9 HB2 PRO 9 2HB PRO 9 -14.715 3.439 -3.903
10 HB3 PRO 9 1HB PRO 9 -16.004 4.394 -3.159
11 HG2 PRO 9 2HG PRO 9 -13.280 3.753 -2.103
12 HG3 PRO 9 1HG PRO 9 -14.154 5.293 -2.075
13 HD2 PRO 9 2HD PRO 9 -14.039 3.548 0.049
14 HD3 PRO 9 1HD PRO 9 -15.339 4.729 -0.213
15 HA PRO 10 HA PRO 10 -14.261 -1.420 -3.599
16 HB2 PRO 10 2HB PRO 10 -14.026 -0.206 -6.328
17 HB3 PRO 10 1HB PRO 10 -14.482 -1.854 -5.882
18 HG2 PRO 10 2HG PRO 10 -16.332 -0.130 -6.649
19 HG3 PRO 10 1HG PRO 10 -16.641 -1.243 -5.304
20 HD2 PRO 10 2HD PRO 10 -16.053 1.679 -5.242
21 HD3 PRO 10 1HD PRO 10 -17.099 0.705 -4.188
22 H LYS 11 H LYS 11 -12.140 -1.768 -3.312
23 HA LYS 11 HA LYS 11 -10.256 0.362 -3.967
24 HB2 LYS 11 2HB LYS 11 -9.163 0.039 -1.781
25 HB3 LYS 11 1HB LYS 11 -10.820 0.604 -1.613
26 HG2 LYS 11 2HG LYS 11 -11.528 -1.717 -1.122
27 HG3 LYS 11 1HG LYS 11 -9.846 -2.228 -1.229
28 HD2 LYS 11 2HD LYS 11 -10.993 -0.264 0.762
29 HD3 LYS 11 1HD LYS 11 -10.540 -1.932 1.097
30 HE2 LYS 11 2HE LYS 11 -8.203 -1.396 0.534
31 HE3 LYS 11 1HE LYS 11 -8.668 0.280 0.233
32 HZ1 LYS 11 3HZ LYS 11 -9.485 0.296 2.588
33 HZ2 LYS 11 1HZ LYS 11 -7.828 0.196 2.387
34 HZ3 LYS 11 2HZ LYS 11 -8.701 -1.177 2.804
35 HA PRO 12 HA PRO 12 -7.945 -3.154 -5.546
36 HB2 PRO 12 2HB PRO 12 -5.511 -1.568 -5.367
37 HB3 PRO 12 1HB PRO 12 -6.355 -2.136 -6.804
38 HG2 PRO 12 2HG PRO 12 -6.275 0.488 -6.082
39 HG3 PRO 12 1HG PRO 12 -7.626 -0.236 -6.972
40 HD2 PRO 12 2HD PRO 12 -7.410 0.448 -4.070
41 HD3 PRO 12 1HD PRO 12 -8.783 0.607 -5.187
42 H LYS 13 H LYS 13 -6.755 -4.770 -4.700
43 HA LYS 13 HA LYS 13 -5.517 -4.255 -2.107
44 HB2 LYS 13 2HB LYS 13 -5.904 -6.620 -1.507
45 HB3 LYS 13 1HB LYS 13 -7.402 -5.759 -1.808
46 HG2 LYS 13 2HG LYS 13 -7.588 -6.834 -4.001
47 HG3 LYS 13 1HG LYS 13 -6.051 -7.644 -3.746
48 HD2 LYS 13 2HD LYS 13 -7.853 -9.189 -3.283
49 HD3 LYS 13 1HD LYS 13 -7.025 -8.796 -1.780
50 HE2 LYS 13 2HE LYS 13 -9.418 -8.809 -1.423
51 HE3 LYS 13 1HE LYS 13 -8.815 -7.167 -1.253
52 HZ1 LYS 13 3HZ LYS 13 -9.569 -6.754 -3.556
53 HZ2 LYS 13 1HZ LYS 13 -10.836 -7.192 -2.535
54 HZ3 LYS 13 2HZ LYS 13 -10.203 -8.304 -3.615
55 H CYS 14 H CYS 14 -3.463 -4.374 -2.057
56 HA CYS 14 HA CYS 14 -2.023 -5.511 -4.321
57 HB2 CYS 14 2HB CYS 14 -0.067 -4.383 -3.422
58 HB3 CYS 14 1HB CYS 14 -1.413 -3.251 -3.527
59 H ARG 15 H ARG 15 -0.218 -6.877 -3.946
60 HA ARG 15 HA ARG 15 -0.377 -8.478 -1.490
61 HB2 ARG 15 2HB ARG 15 -1.463 -9.505 -3.569
62 HB3 ARG 15 1HB ARG 15 0.114 -9.483 -4.320
63 HG2 ARG 15 2HG ARG 15 -0.061 -10.928 -1.753
64 HG3 ARG 15 1HG ARG 15 -0.943 -11.638 -3.103
65 HD2 ARG 15 2HD ARG 15 1.979 -10.889 -3.109
66 HD3 ARG 15 1HD ARG 15 1.345 -12.524 -2.907
67 HE ARG 15 HE ARG 15 0.551 -12.463 -5.132
68 HH11 ARG 15 1HH1 ARG 15 2.601 -9.642 -4.364
69 HH12 ARG 15 2HH1 ARG 15 3.080 -9.408 -5.993
70 HH21 ARG 15 1HH2 ARG 15 1.228 -12.077 -7.336
71 HH22 ARG 15 2HH2 ARG 15 2.275 -10.802 -7.710
72 H CYS 16 H CYS 16 1.129 -6.295 -1.810
73 HA CYS 16 HA CYS 16 3.769 -6.611 -2.784
74 HB2 CYS 16 2HB CYS 16 2.721 -4.770 -0.614
75 HB3 CYS 16 1HB CYS 16 4.302 -4.659 -1.365
76 H GLY 17 H GLY 17 5.574 -7.483 -1.826
77 HA2 GLY 17 2HA GLY 17 6.965 -7.762 0.099
78 HA3 GLY 17 1HA GLY 17 5.510 -7.990 1.063
79 H ILE 18 H ILE 18 4.135 -9.769 -0.339
80 HA ILE 18 HA ILE 18 5.399 -12.214 0.352
81 HB ILE 18 HB ILE 18 2.964 -11.871 -1.415
82 HG12 ILE 18 2HG1 ILE 18 3.234 -11.920 1.592
83 HG13 ILE 18 1HG1 ILE 18 2.589 -10.653 0.590
84 HG21 ILE 18 1HG2 ILE 18 2.352 -14.120 -0.596
85 HG22 ILE 18 2HG2 ILE 18 3.874 -14.199 0.291
86 HG23 ILE 18 3HG2 ILE 18 3.885 -14.129 -1.469
87 HD11 ILE 18 3HD1 ILE 18 1.290 -13.347 0.927
88 HD12 ILE 18 1HD1 ILE 18 0.675 -12.002 -0.034
89 HD13 ILE 18 2HD1 ILE 18 0.790 -11.852 1.719
90 H SER 19 H SER 19 4.903 -10.508 -2.657
91 HA SER 19 HA SER 19 6.845 -12.201 -3.934
92 HB2 SER 19 2HB SER 19 4.604 -13.242 -4.362
93 HB3 SER 19 1HB SER 19 4.074 -11.724 -5.073
94 HG SER 19 HG SER 19 6.240 -13.300 -5.977
95 H GLY 20 H GLY 20 7.432 -11.164 -6.049
96 HA2 GLY 20 2HA GLY 20 7.598 -9.277 -7.445
97 HA3 GLY 20 1HA GLY 20 6.848 -8.304 -6.180
98 H SER 21 H SER 21 8.151 -8.389 -4.076
99 HA SER 21 HA SER 21 10.982 -8.534 -4.401
100 HB2 SER 21 2HB SER 21 10.458 -6.276 -5.319
101 HB3 SER 21 1HB SER 21 9.655 -5.869 -3.806
102 HG SER 21 HG SER 21 11.676 -5.088 -3.644
103 H SER 22 H SER 22 11.836 -9.084 -2.489
104 HA SER 22 HA SER 22 10.059 -9.288 -0.226
105 HB2 SER 22 2HB SER 22 12.938 -10.149 -0.545
106 HB3 SER 22 1HB SER 22 11.832 -10.647 0.737
107 HG SER 22 HG SER 22 10.823 -11.029 -1.754
108 H ASN 23 H ASN 23 9.815 -7.225 0.513
109 HA ASN 23 HA ASN 23 12.100 -6.068 1.825
110 HB2 ASN 23 2HB ASN 23 12.131 -5.040 -0.438
111 HB3 ASN 23 1HB ASN 23 10.471 -4.511 -0.207
112 HD21 ASN 23 1HD2 ASN 23 13.776 -4.060 0.774
113 HD22 ASN 23 2HD2 ASN 23 13.557 -2.501 1.471
114 H THR 24 H THR 24 11.480 -5.080 3.663
115 HA THR 24 HA THR 24 8.601 -4.998 4.247
116 HB THR 24 HB THR 24 10.934 -5.156 6.181
117 HG1 THR 24 1HG THR 24 9.980 -6.962 4.457
118 HG21 THR 24 3HG2 THR 24 8.009 -5.913 6.515
119 HG22 THR 24 1HG2 THR 24 8.750 -4.450 7.167
120 HG23 THR 24 2HG2 THR 24 9.255 -6.036 7.750
121 H LEU 25 H LEU 25 10.850 -2.918 3.221
122 HA LEU 25 HA LEU 25 10.683 -0.936 5.374
123 HB2 LEU 25 2HB LEU 25 12.500 -1.039 2.983
124 HB3 LEU 25 1HB LEU 25 12.583 0.116 4.297
125 HG LEU 25 HG LEU 25 13.030 -2.859 4.596
126 HD11 LEU 25 1HD1 LEU 25 14.790 -1.832 3.268
127 HD12 LEU 25 2HD1 LEU 25 15.381 -2.291 4.865
128 HD13 LEU 25 3HD1 LEU 25 15.017 -0.603 4.512
129 HD21 LEU 25 3HD2 LEU 25 13.916 -2.229 6.807
130 HD22 LEU 25 1HD2 LEU 25 12.204 -1.834 6.638
131 HD23 LEU 25 2HD2 LEU 25 13.418 -0.564 6.513
132 H THR 26 H THR 26 10.557 -0.928 1.782
133 HA THR 26 HA THR 26 8.918 1.519 1.970
134 HB THR 26 HB THR 26 9.995 2.083 -0.283
135 HG1 THR 26 1HG THR 26 11.163 0.435 -0.986
136 HG21 THR 26 3HG2 THR 26 12.005 3.054 0.780
137 HG22 THR 26 1HG2 THR 26 11.752 2.020 2.183
138 HG23 THR 26 2HG2 THR 26 10.577 3.273 1.793
139 H THR 27 H THR 27 8.381 -1.463 1.594
140 HA THR 27 HA THR 27 7.776 -2.361 -0.837
141 HB THR 27 HB THR 27 5.966 -2.835 1.472
142 HG1 THR 27 1HG THR 27 8.058 -4.203 1.973
143 HG21 THR 27 3HG2 THR 27 6.216 -5.115 0.760
144 HG22 THR 27 1HG2 THR 27 7.576 -4.685 -0.297
145 HG23 THR 27 2HG2 THR 27 5.964 -4.125 -0.690
146 H CYS 28 H CYS 28 5.246 -1.007 1.317
147 HA CYS 28 HA CYS 28 3.603 -0.565 -1.009
148 HB2 CYS 28 2HB CYS 28 2.912 -0.449 1.923
149 HB3 CYS 28 1HB CYS 28 1.781 0.057 0.680
150 H ARG 29 H ARG 29 5.858 1.208 0.400
151 HA ARG 29 HA ARG 29 4.446 3.757 0.304
152 HB2 ARG 29 2HB ARG 29 5.894 3.285 2.216
153 HB3 ARG 29 1HB ARG 29 7.282 3.115 1.149
154 HG2 ARG 29 2HG ARG 29 7.201 5.475 0.638
155 HG3 ARG 29 1HG ARG 29 5.695 5.648 1.539
156 HD2 ARG 29 2HD ARG 29 6.852 4.993 3.594
157 HD3 ARG 29 1HD ARG 29 8.356 4.820 2.698
158 HE ARG 29 HE ARG 29 8.058 7.266 2.179
159 HH11 ARG 29 1HH1 ARG 29 6.775 5.866 5.217
160 HH12 ARG 29 2HH1 ARG 29 6.989 7.283 6.112
161 HH21 ARG 29 1HH2 ARG 29 8.317 9.215 3.440
162 HH22 ARG 29 2HH2 ARG 29 7.891 9.249 5.072
163 H ASN 30 H ASN 30 6.002 1.878 -1.870
164 HA ASN 30 HA ASN 30 7.008 4.242 -3.293
165 HB2 ASN 30 2HB ASN 30 8.634 2.953 -4.466
166 HB3 ASN 30 1HB ASN 30 8.728 2.427 -2.797
167 HD21 ASN 30 1HD2 ASN 30 8.000 0.336 -2.283
168 HD22 ASN 30 2HD2 ASN 30 7.744 -0.846 -3.510
169 H SER 31 H SER 31 7.041 3.776 -5.794
170 HA SER 31 HA SER 31 4.369 4.038 -6.550
171 HB2 SER 31 2HB SER 31 6.785 3.664 -8.287
172 HB3 SER 31 1HB SER 31 5.253 4.425 -8.725
173 HG SER 31 HG SER 31 5.892 6.168 -7.865
174 H ARG 32 H ARG 32 6.001 1.111 -6.056
175 HA ARG 32 HA ARG 32 4.643 -0.220 -8.241
176 HB2 ARG 32 2HB ARG 32 6.388 -1.406 -6.082
177 HB3 ARG 32 1HB ARG 32 5.713 -2.289 -7.438
178 HG2 ARG 32 2HG ARG 32 7.790 -0.116 -7.503
179 HG3 ARG 32 1HG ARG 32 7.983 -1.813 -7.947
180 HD2 ARG 32 2HD ARG 32 6.340 0.266 -9.381
181 HD3 ARG 32 1HD ARG 32 7.840 -0.454 -9.948
182 HE ARG 32 HE ARG 32 6.176 -2.567 -9.573
183 HH11 ARG 32 1HH1 ARG 32 5.965 0.438 -11.495
184 HH12 ARG 32 2HH1 ARG 32 4.950 -0.235 -12.664
185 HH21 ARG 32 1HH2 ARG 32 4.781 -3.472 -11.192
186 HH22 ARG 32 2HH2 ARG 32 4.278 -2.511 -12.511
187 H CYS 33 H CYS 33 3.689 0.869 -5.344
188 HA CYS 33 HA CYS 33 1.927 -1.387 -4.951
189 HB2 CYS 33 2HB CYS 33 3.092 -0.555 -2.967
190 HB3 CYS 33 1HB CYS 33 2.373 1.038 -3.206
191 HA PRO 34 HA PRO 34 -0.916 0.986 -7.475
192 HB2 PRO 34 2HB PRO 34 -3.064 -0.710 -7.105
193 HB3 PRO 34 1HB PRO 34 -1.797 -0.956 -8.306
194 HG2 PRO 34 2HG PRO 34 -2.102 -2.188 -5.605
195 HG3 PRO 34 1HG PRO 34 -1.577 -2.934 -7.124
196 HD2 PRO 34 2HD PRO 34 0.156 -2.236 -5.210
197 HD3 PRO 34 1HD PRO 34 0.579 -2.095 -6.931
198 H CYS 35 H CYS 35 -1.389 0.004 -4.220
199 HA CYS 35 HA CYS 35 -3.783 1.443 -3.689
200 HB2 CYS 35 2HB CYS 35 -1.614 0.549 -1.799
201 HB3 CYS 35 1HB CYS 35 -3.218 1.096 -1.326
202 H TYR 36 H TYR 36 -0.448 2.035 -2.678
203 HA TYR 36 HA TYR 36 -0.686 4.561 -1.642
204 HB2 TYR 36 2HB TYR 36 1.314 3.263 -1.355
205 HB3 TYR 36 1HB TYR 36 1.625 3.270 -3.086
206 HD1 TYR 36 2HD TYR 36 1.393 5.472 -0.131
207 HD2 TYR 36 1HD TYR 36 2.933 4.975 -4.056
208 HE1 TYR 36 2HE TYR 36 2.742 7.500 0.152
209 HE2 TYR 36 1HE TYR 36 4.274 7.002 -3.814
210 HH TYR 36 HH TYR 36 4.370 9.005 -2.484
211 H LYS 37 H LYS 37 0.085 3.641 -4.948
212 HA LYS 37 HA LYS 37 0.525 6.278 -5.848
213 HB2 LYS 37 2HB LYS 37 1.256 3.932 -6.797
214 HB3 LYS 37 1HB LYS 37 -0.237 4.046 -7.705
215 HG2 LYS 37 2HG LYS 37 1.963 6.103 -7.767
216 HG3 LYS 37 1HG LYS 37 1.833 4.790 -8.920
217 HD2 LYS 37 2HD LYS 37 -0.300 6.902 -8.523
218 HD3 LYS 37 1HD LYS 37 0.993 7.048 -9.703
219 HE2 LYS 37 2HE LYS 37 -0.941 6.284 -10.871
220 HE3 LYS 37 1HE LYS 37 0.144 4.913 -10.751
221 HZ1 LYS 37 3HZ LYS 37 -2.166 4.358 -10.345
222 HZ2 LYS 37 1HZ LYS 37 -2.250 5.369 -9.023
223 HZ3 LYS 37 2HZ LYS 37 -1.270 3.965 -9.035
224 H SER 38 H SER 38 -2.368 4.226 -5.736
225 HA SER 38 HA SER 38 -3.859 6.273 -7.179
226 HB2 SER 38 2HB SER 38 -4.649 3.487 -6.336
227 HB3 SER 38 1HB SER 38 -5.672 4.593 -7.259
228 HG SER 38 HG SER 38 -4.305 2.957 -8.393
229 H TYR 39 H TYR 39 -2.887 6.284 -4.284
230 HA TYR 39 HA TYR 39 -3.450 7.450 -2.452
231 HB2 TYR 39 2HB TYR 39 -6.050 8.093 -3.838
232 HB3 TYR 39 1HB TYR 39 -5.410 8.912 -2.421
233 HD1 TYR 39 1HD TYR 39 -2.973 9.963 -2.798
234 HD2 TYR 39 2HD TYR 39 -5.729 9.045 -5.906
235 HE1 TYR 39 1HE TYR 39 -1.852 11.580 -4.268
236 HE2 TYR 39 2HE TYR 39 -4.606 10.652 -7.386
237 HH TYR 39 HH TYR 39 -1.584 12.021 -6.683
238 H ASN 40 H ASN 40 -4.394 4.595 -2.869
239 HA ASN 40 HA ASN 40 -6.646 4.528 -1.003
240 HB2 ASN 40 2HB ASN 40 -5.491 2.400 -2.799
241 HB3 ASN 40 1HB ASN 40 -6.616 2.002 -1.507
242 HD21 ASN 40 1HD2 ASN 40 -6.236 3.462 -4.630
243 HD22 ASN 40 2HD2 ASN 40 -7.924 3.686 -4.931
244 H SER 41 H SER 41 -6.615 2.642 0.575
245 HA SER 41 HA SER 41 -4.164 2.824 2.132
246 HB2 SER 41 2HB SER 41 -5.714 2.019 3.934
247 HB3 SER 41 1HB SER 41 -6.150 3.585 3.243
248 HG SER 41 HG SER 41 -8.014 2.637 3.013
249 H CYS 42 H CYS 42 -3.640 0.775 3.376
250 HA CYS 42 HA CYS 42 -4.053 -1.496 1.608
251 HB2 CYS 42 2HB CYS 42 -1.733 -0.818 3.367
252 HB3 CYS 42 1HB CYS 42 -1.987 -2.445 2.739
253 H ALA 43 H ALA 43 -5.569 -0.496 4.028
254 HA ALA 43 HA ALA 43 -5.565 -2.771 5.760
255 HB1 ALA 43 1HB ALA 43 -7.653 -1.799 6.645
256 HB2 ALA 43 2HB ALA 43 -7.652 -0.639 5.316
257 HB3 ALA 43 3HB ALA 43 -6.377 -0.578 6.536
258 H GLY 44 H GLY 44 -6.115 -4.682 4.967
259 HA2 GLY 44 2HA GLY 44 -7.880 -6.146 4.236
260 HA3 GLY 44 1HA GLY 44 -8.454 -4.848 3.196
261 H CYS 45 H CYS 45 -5.096 -5.097 3.171
262 HA CYS 45 HA CYS 45 -5.187 -6.304 0.501
263 HB2 CYS 45 2HB CYS 45 -2.959 -4.826 1.909
264 HB3 CYS 45 1HB CYS 45 -2.870 -5.459 0.275
265 H HIS 46 H HIS 46 -2.841 -7.404 0.092
266 HA HIS 46 HA HIS 46 -2.404 -9.374 2.226
267 HB2 HIS 46 2HB HIS 46 -2.238 -9.714 -0.795
268 HB3 HIS 46 1HB HIS 46 -1.639 -10.899 0.354
269 HD1 HIS 46 1HD HIS 46 -3.304 -12.592 1.182
270 HD2 HIS 46 2HD HIS 46 -5.118 -9.346 -0.661
271 HE1 HIS 46 1HE HIS 46 -5.736 -13.152 1.062
272 HE2 HIS 46 2HE HIS 46 -6.806 -11.026 0.256
273 H CYS 47 H CYS 47 -1.280 -6.878 2.099
274 HA CYS 47 HA CYS 47 1.364 -7.250 0.993
275 HB2 CYS 47 2HB CYS 47 1.692 -4.858 1.677
276 HB3 CYS 47 1HB CYS 47 0.525 -5.170 0.406
277 H VAL 48 H VAL 48 3.021 -7.589 2.078
278 HA VAL 48 HA VAL 48 2.880 -7.639 5.016
279 HB VAL 48 HB VAL 48 4.641 -9.339 3.206
280 HG11 VAL 48 1HG1 VAL 48 5.243 -10.546 5.254
281 HG12 VAL 48 2HG1 VAL 48 4.279 -9.415 6.202
282 HG13 VAL 48 3HG1 VAL 48 5.705 -8.847 5.337
283 HG21 VAL 48 3HG2 VAL 48 2.225 -10.122 4.834
284 HG22 VAL 48 1HG2 VAL 48 3.279 -11.240 3.968
285 HG23 VAL 48 2HG2 VAL 48 2.324 -10.058 3.073
286 H GLY 49 H GLY 49 4.167 -6.221 5.964
287 HA2 GLY 49 2HA GLY 49 6.077 -4.898 6.278
288 HA3 GLY 49 1HA GLY 49 6.625 -5.385 4.666
289 H CYS 50 H CYS 50 3.494 -4.182 5.548
290 HA CYS 50 HA CYS 50 3.565 -2.365 3.381
291 HB2 CYS 50 2HB CYS 50 1.517 -3.518 3.752
292 HB3 CYS 50 1HB CYS 50 1.491 -3.043 5.446
293 H LYS 51 H LYS 51 4.735 -0.615 3.734
294 HA LYS 51 HA LYS 51 3.972 0.970 6.073
295 HB2 LYS 51 2HB LYS 51 6.343 1.385 4.215
296 HB3 LYS 51 1HB LYS 51 6.023 2.243 5.709
297 HG2 LYS 51 2HG LYS 51 6.725 -0.680 5.485
298 HG3 LYS 51 1HG LYS 51 7.835 0.608 5.933
299 HD2 LYS 51 2HD LYS 51 6.488 1.076 7.920
300 HD3 LYS 51 1HD LYS 51 5.353 -0.189 7.454
301 HE2 LYS 51 2HE LYS 51 7.176 -1.846 7.592
302 HE3 LYS 51 1HE LYS 51 8.274 -0.572 8.114
303 HZ1 LYS 51 3HZ LYS 51 5.839 -1.461 9.553
304 HZ2 LYS 51 1HZ LYS 51 6.884 -0.238 10.070
305 HZ3 LYS 51 2HZ LYS 51 7.423 -1.821 9.983
306 H ASN 52 H ASN 52 2.101 1.675 5.136
307 HA ASN 52 HA ASN 52 2.409 3.143 2.623
308 HB2 ASN 52 2HB ASN 52 0.808 1.325 2.396
309 HB3 ASN 52 1HB ASN 52 -0.100 1.910 3.775
310 HD21 ASN 52 1HD2 ASN 52 -1.868 1.904 2.380
311 HD22 ASN 52 2HD2 ASN 52 -2.207 3.173 1.243
312 HA PRO 53 HA PRO 53 2.076 6.855 5.126
313 HB2 PRO 53 2HB PRO 53 1.907 7.938 2.360
314 HB3 PRO 53 1HB PRO 53 2.917 8.459 3.713
315 HG2 PRO 53 2HG PRO 53 4.021 7.075 1.782
316 HG3 PRO 53 1HG PRO 53 4.393 6.666 3.466
317 HD2 PRO 53 2HD PRO 53 2.530 5.296 1.562
318 HD3 PRO 53 1HD PRO 53 3.723 4.610 2.693
319 H HIS 54 H HIS 54 -0.271 5.510 3.125
320 HA HIS 54 HA HIS 54 -2.195 7.649 3.670
321 HB2 HIS 54 2HB HIS 54 -2.487 5.075 2.115
322 HB3 HIS 54 1HB HIS 54 -3.849 6.115 2.506
323 HD1 HIS 54 1HD HIS 54 -3.832 8.486 1.414
324 HD2 HIS 54 2HD HIS 54 -0.973 5.850 0.021
325 HE1 HIS 54 1HE HIS 54 -3.066 9.457 -0.753
326 HE2 HIS 54 2HE HIS 54 -1.062 8.061 -1.318
327 H LYS 55 H LYS 55 -3.785 7.459 5.108
328 HA LYS 55 HA LYS 55 -3.340 5.554 7.200
329 HB2 LYS 55 2HB LYS 55 -5.521 7.605 6.889
330 HB3 LYS 55 1HB LYS 55 -5.311 6.589 8.303
331 HG2 LYS 55 2HG LYS 55 -3.041 7.590 8.577
332 HG3 LYS 55 1HG LYS 55 -3.465 8.703 7.268
333 HD2 LYS 55 2HD LYS 55 -5.380 9.483 8.528
334 HD3 LYS 55 1HD LYS 55 -4.982 8.376 9.842
335 HE2 LYS 55 2HE LYS 55 -2.828 9.535 10.124
336 HE3 LYS 55 1HE LYS 55 -3.295 10.673 8.864
337 HZ1 LYS 55 3HZ LYS 55 -3.744 11.597 11.035
338 HZ2 LYS 55 1HZ LYS 55 -4.686 10.258 11.447
339 HZ3 LYS 55 2HZ LYS 55 -5.205 11.306 10.240
340 H GLU 56 H GLU 56 -5.476 4.652 8.193
341 HA GLU 56 HA GLU 56 -6.308 2.615 6.363
342 HB2 GLU 56 2HB GLU 56 -7.320 3.193 9.139
343 HB3 GLU 56 1HB GLU 56 -7.468 1.696 8.242
344 HG2 GLU 56 2HG GLU 56 -5.136 1.271 8.414
345 HG3 GLU 56 1HG GLU 56 -4.852 2.875 9.096
346 H ASP 57 H ASP 57 -8.637 2.069 6.219
347 HA ASP 57 HA ASP 57 -10.192 4.120 5.113
348 HB2 ASP 57 2HB ASP 57 -11.189 1.493 6.235
349 HB3 ASP 57 1HB ASP 57 -11.930 2.464 4.974
350 H TYR 58 H TYR 58 -11.854 5.282 6.000
351 HA TYR 58 HA TYR 58 -11.971 5.278 8.872
352 HB2 TYR 58 2HB TYR 58 -13.429 7.361 8.559
353 HB3 TYR 58 1HB TYR 58 -11.766 7.496 8.014
354 HD1 TYR 58 1HD TYR 58 -11.307 7.322 5.524
355 HD2 TYR 58 2HD TYR 58 -15.232 7.759 7.097
356 HE1 TYR 58 1HE TYR 58 -12.088 8.073 3.337
357 HE2 TYR 58 2HE TYR 58 -16.031 8.511 4.906
358 HH TYR 58 HH TYR 58 -15.149 9.497 2.892
359 H VAL 59 H VAL 59 -12.880 3.311 9.113
360 HA VAL 59 HA VAL 59 -15.691 3.163 8.429
361 HB VAL 59 HB VAL 59 -15.367 0.607 8.622
362 HG11 VAL 59 1HG1 VAL 59 -13.981 2.098 6.390
363 HG12 VAL 59 2HG1 VAL 59 -15.713 1.773 6.492
364 HG13 VAL 59 3HG1 VAL 59 -14.577 0.438 6.307
365 HG21 VAL 59 3HG2 VAL 59 -13.140 0.656 9.684
366 HG22 VAL 59 1HG2 VAL 59 -12.475 1.412 8.238
367 HG23 VAL 59 2HG2 VAL 59 -13.109 -0.234 8.160
Start of MODEL 5
1 H1 SER 8 1HT SER 8 -18.501 5.216 -2.178
2 H2 SER 8 2HT SER 8 -17.092 6.086 -2.424
3 H3 SER 8 3HT SER 8 -17.857 6.137 -0.913
4 HA SER 8 HA SER 8 -15.943 4.760 -0.815
5 HB2 SER 8 2HB SER 8 -18.484 3.120 -0.783
6 HB3 SER 8 1HB SER 8 -17.041 2.878 0.206
7 HG SER 8 HG SER 8 -18.274 4.010 1.556
8 HA PRO 9 HA PRO 9 -15.629 2.895 -4.965
9 HB2 PRO 9 2HB PRO 9 -13.043 3.408 -5.399
10 HB3 PRO 9 1HB PRO 9 -14.251 4.694 -5.477
11 HG2 PRO 9 2HG PRO 9 -12.315 4.048 -3.299
12 HG3 PRO 9 1HG PRO 9 -12.846 5.630 -3.896
13 HD2 PRO 9 2HD PRO 9 -13.828 4.336 -1.623
14 HD3 PRO 9 1HD PRO 9 -14.633 5.669 -2.474
15 HA PRO 10 HA PRO 10 -13.809 -1.081 -3.835
16 HB2 PRO 10 2HB PRO 10 -13.046 -1.493 -6.642
17 HB3 PRO 10 1HB PRO 10 -14.229 -2.377 -5.677
18 HG2 PRO 10 2HG PRO 10 -14.963 -0.731 -7.688
19 HG3 PRO 10 1HG PRO 10 -15.952 -0.957 -6.235
20 HD2 PRO 10 2HD PRO 10 -14.104 1.291 -6.941
21 HD3 PRO 10 1HD PRO 10 -15.716 1.333 -6.185
22 H LYS 11 H LYS 11 -11.817 -1.458 -3.042
23 HA LYS 11 HA LYS 11 -9.612 0.200 -3.989
24 HB2 LYS 11 2HB LYS 11 -9.901 -1.588 -1.595
25 HB3 LYS 11 1HB LYS 11 -8.497 -0.608 -1.948
26 HG2 LYS 11 2HG LYS 11 -9.764 1.422 -1.632
27 HG3 LYS 11 1HG LYS 11 -11.256 0.495 -1.436
28 HD2 LYS 11 2HD LYS 11 -8.846 0.187 0.361
29 HD3 LYS 11 1HD LYS 11 -10.202 1.259 0.719
30 HE2 LYS 11 2HE LYS 11 -11.723 -0.595 0.804
31 HE3 LYS 11 1HE LYS 11 -10.495 -1.713 0.230
32 HZ1 LYS 11 3HZ LYS 11 -9.360 -1.591 2.254
33 HZ2 LYS 11 1HZ LYS 11 -10.972 -1.752 2.633
34 HZ3 LYS 11 2HZ LYS 11 -10.223 -0.245 2.809
35 HA PRO 12 HA PRO 12 -7.662 -3.537 -5.633
36 HB2 PRO 12 2HB PRO 12 -5.234 -1.989 -5.749
37 HB3 PRO 12 1HB PRO 12 -6.155 -2.727 -7.061
38 HG2 PRO 12 2HG PRO 12 -6.007 -0.002 -6.685
39 HG3 PRO 12 1HG PRO 12 -7.382 -0.807 -7.459
40 HD2 PRO 12 2HD PRO 12 -7.112 0.240 -4.676
41 HD3 PRO 12 1HD PRO 12 -8.529 0.204 -5.749
42 H LYS 13 H LYS 13 -6.633 -4.965 -4.488
43 HA LYS 13 HA LYS 13 -5.406 -4.057 -2.000
44 HB2 LYS 13 2HB LYS 13 -5.961 -6.294 -1.064
45 HB3 LYS 13 1HB LYS 13 -7.354 -5.284 -1.406
46 HG2 LYS 13 2HG LYS 13 -7.652 -6.577 -3.538
47 HG3 LYS 13 1HG LYS 13 -6.365 -7.649 -2.986
48 HD2 LYS 13 2HD LYS 13 -7.642 -8.164 -0.982
49 HD3 LYS 13 1HD LYS 13 -8.941 -7.104 -1.525
50 HE2 LYS 13 2HE LYS 13 -7.972 -9.571 -2.962
51 HE3 LYS 13 1HE LYS 13 -9.426 -9.471 -1.972
52 HZ1 LYS 13 3HZ LYS 13 -10.234 -7.741 -3.543
53 HZ2 LYS 13 1HZ LYS 13 -10.017 -9.257 -4.254
54 HZ3 LYS 13 2HZ LYS 13 -8.893 -8.024 -4.505
55 H CYS 14 H CYS 14 -3.413 -4.192 -1.974
56 HA CYS 14 HA CYS 14 -2.041 -5.633 -4.040
57 HB2 CYS 14 2HB CYS 14 -0.009 -4.504 -3.207
58 HB3 CYS 14 1HB CYS 14 -1.319 -3.384 -3.548
59 H ARG 15 H ARG 15 -0.596 -7.224 -3.814
60 HA ARG 15 HA ARG 15 -0.529 -8.626 -1.239
61 HB2 ARG 15 2HB ARG 15 -0.217 -9.705 -4.066
62 HB3 ARG 15 1HB ARG 15 0.130 -10.654 -2.632
63 HG2 ARG 15 2HG ARG 15 -2.027 -11.314 -3.308
64 HG3 ARG 15 1HG ARG 15 -2.286 -10.243 -1.940
65 HD2 ARG 15 2HD ARG 15 -3.917 -9.692 -3.601
66 HD3 ARG 15 1HD ARG 15 -2.723 -8.395 -3.599
67 HE ARG 15 HE ARG 15 -2.104 -10.428 -5.486
68 HH11 ARG 15 1HH1 ARG 15 -4.068 -7.467 -5.107
69 HH12 ARG 15 2HH1 ARG 15 -4.326 -7.269 -6.763
70 HH21 ARG 15 1HH2 ARG 15 -2.502 -10.139 -7.758
71 HH22 ARG 15 2HH2 ARG 15 -3.413 -8.814 -8.311
72 H CYS 16 H CYS 16 1.007 -6.414 -1.843
73 HA CYS 16 HA CYS 16 3.631 -6.769 -2.683
74 HB2 CYS 16 2HB CYS 16 2.549 -4.981 -0.503
75 HB3 CYS 16 1HB CYS 16 4.183 -4.877 -1.133
76 H GLY 17 H GLY 17 5.541 -7.384 -1.655
77 HA2 GLY 17 2HA GLY 17 6.813 -8.084 0.176
78 HA3 GLY 17 1HA GLY 17 5.321 -8.428 1.056
79 H ILE 18 H ILE 18 3.943 -9.805 -0.837
80 HA ILE 18 HA ILE 18 5.321 -12.358 -0.732
81 HB ILE 18 HB ILE 18 2.543 -11.808 -1.806
82 HG12 ILE 18 2HG1 ILE 18 3.395 -12.361 1.050
83 HG13 ILE 18 1HG1 ILE 18 2.704 -10.881 0.432
84 HG21 ILE 18 1HG2 ILE 18 3.825 -14.284 -0.634
85 HG22 ILE 18 2HG2 ILE 18 3.501 -14.008 -2.339
86 HG23 ILE 18 3HG2 ILE 18 2.162 -14.164 -1.203
87 HD11 ILE 18 3HD1 ILE 18 0.606 -11.965 -0.049
88 HD12 ILE 18 1HD1 ILE 18 1.043 -12.201 1.645
89 HD13 ILE 18 2HD1 ILE 18 1.256 -13.517 0.482
90 H SER 19 H SER 19 3.732 -10.259 -3.105
91 HA SER 19 HA SER 19 4.582 -11.827 -5.336
92 HB2 SER 19 2HB SER 19 3.323 -9.091 -5.214
93 HB3 SER 19 1HB SER 19 3.444 -10.116 -6.644
94 HG SER 19 HG SER 19 1.557 -10.694 -5.953
95 H GLY 20 H GLY 20 6.146 -9.435 -3.489
96 HA2 GLY 20 2HA GLY 20 8.480 -9.444 -4.968
97 HA3 GLY 20 1HA GLY 20 7.543 -8.062 -5.532
98 H SER 21 H SER 21 10.056 -7.968 -4.169
99 HA SER 21 HA SER 21 9.297 -6.225 -1.991
100 HB2 SER 21 2HB SER 21 11.286 -8.476 -1.561
101 HB3 SER 21 1HB SER 21 10.791 -7.268 -0.378
102 HG SER 21 HG SER 21 8.573 -8.320 -1.159
103 H SER 22 H SER 22 10.169 -4.493 -3.043
104 HA SER 22 HA SER 22 12.815 -4.598 -4.159
105 HB2 SER 22 2HB SER 22 10.884 -3.126 -4.980
106 HB3 SER 22 1HB SER 22 11.097 -2.166 -3.522
107 HG SER 22 HG SER 22 13.394 -1.961 -4.352
108 H ASN 23 H ASN 23 11.224 -2.900 -1.485
109 HA ASN 23 HA ASN 23 13.406 -3.442 0.305
110 HB2 ASN 23 2HB ASN 23 14.088 -1.260 -0.540
111 HB3 ASN 23 1HB ASN 23 12.449 -0.634 -0.385
112 HD21 ASN 23 1HD2 ASN 23 15.367 -1.516 1.300
113 HD22 ASN 23 2HD2 ASN 23 14.997 -0.731 2.780
114 H THR 24 H THR 24 12.413 -4.193 2.073
115 HA THR 24 HA THR 24 9.619 -4.353 2.173
116 HB THR 24 HB THR 24 11.557 -4.999 4.407
117 HG1 THR 24 1HG THR 24 10.686 -6.816 2.434
118 HG21 THR 24 3HG2 THR 24 8.905 -6.217 3.574
119 HG22 THR 24 1HG2 THR 24 9.151 -5.174 4.975
120 HG23 THR 24 2HG2 THR 24 9.909 -6.769 4.908
121 H LEU 25 H LEU 25 11.585 -1.786 3.186
122 HA LEU 25 HA LEU 25 9.642 -0.965 5.195
123 HB2 LEU 25 2HB LEU 25 12.321 0.227 4.454
124 HB3 LEU 25 1HB LEU 25 11.226 0.951 5.604
125 HG LEU 25 HG LEU 25 11.466 -1.160 6.989
126 HD11 LEU 25 1HD1 LEU 25 13.784 -1.684 5.140
127 HD12 LEU 25 2HD1 LEU 25 12.328 -2.661 5.295
128 HD13 LEU 25 3HD1 LEU 25 13.450 -2.536 6.648
129 HD21 LEU 25 3HD2 LEU 25 13.913 0.526 6.513
130 HD22 LEU 25 1HD2 LEU 25 13.611 -0.466 7.939
131 HD23 LEU 25 2HD2 LEU 25 12.566 0.908 7.586
132 H THR 26 H THR 26 10.041 -0.742 1.924
133 HA THR 26 HA THR 26 8.466 1.740 1.833
134 HB THR 26 HB THR 26 10.633 1.186 -0.222
135 HG1 THR 26 1HG THR 26 11.550 1.291 1.927
136 HG21 THR 26 3HG2 THR 26 10.523 3.613 -0.542
137 HG22 THR 26 1HG2 THR 26 9.362 3.752 0.780
138 HG23 THR 26 2HG2 THR 26 8.912 2.913 -0.704
139 H THR 27 H THR 27 8.107 -1.350 1.483
140 HA THR 27 HA THR 27 7.702 -2.189 -1.078
141 HB THR 27 HB THR 27 5.759 -2.920 1.073
142 HG1 THR 27 1HG THR 27 7.299 -3.616 2.353
143 HG21 THR 27 3HG2 THR 27 6.132 -5.126 0.245
144 HG22 THR 27 1HG2 THR 27 7.546 -4.594 -0.686
145 HG23 THR 27 2HG2 THR 27 5.948 -4.057 -1.159
146 H CYS 28 H CYS 28 5.224 -0.940 1.103
147 HA CYS 28 HA CYS 28 3.458 -0.477 -1.113
148 HB2 CYS 28 2HB CYS 28 2.986 -0.350 1.848
149 HB3 CYS 28 1HB CYS 28 1.771 0.119 0.659
150 H ARG 29 H ARG 29 5.844 1.291 0.135
151 HA ARG 29 HA ARG 29 4.362 3.829 0.048
152 HB2 ARG 29 2HB ARG 29 5.778 3.237 2.072
153 HB3 ARG 29 1HB ARG 29 7.185 3.391 1.033
154 HG2 ARG 29 2HG ARG 29 6.645 5.726 0.626
155 HG3 ARG 29 1HG ARG 29 5.212 5.582 1.644
156 HD2 ARG 29 2HD ARG 29 6.694 4.969 3.536
157 HD3 ARG 29 1HD ARG 29 8.084 5.266 2.490
158 HE ARG 29 HE ARG 29 6.292 7.473 2.575
159 HH11 ARG 29 1HH1 ARG 29 9.005 5.977 4.275
160 HH12 ARG 29 2HH1 ARG 29 9.498 7.385 5.061
161 HH21 ARG 29 1HH2 ARG 29 6.881 9.405 3.681
162 HH22 ARG 29 2HH2 ARG 29 8.206 9.425 4.733
163 H ASN 30 H ASN 30 5.701 2.021 -2.178
164 HA ASN 30 HA ASN 30 7.043 4.309 -3.383
165 HB2 ASN 30 2HB ASN 30 8.639 2.942 -4.507
166 HB3 ASN 30 1HB ASN 30 8.505 2.244 -2.913
167 HD21 ASN 30 1HD2 ASN 30 7.619 0.230 -2.671
168 HD22 ASN 30 2HD2 ASN 30 7.273 -0.803 -4.011
169 H SER 31 H SER 31 6.985 4.222 -5.844
170 HA SER 31 HA SER 31 4.372 4.697 -6.627
171 HB2 SER 31 2HB SER 31 6.758 4.185 -8.390
172 HB3 SER 31 1HB SER 31 5.323 5.146 -8.771
173 HG SER 31 HG SER 31 5.890 6.444 -6.930
174 H ARG 32 H ARG 32 6.069 1.683 -6.628
175 HA ARG 32 HA ARG 32 4.496 0.538 -8.730
176 HB2 ARG 32 2HB ARG 32 6.644 -0.522 -6.930
177 HB3 ARG 32 1HB ARG 32 5.769 -1.530 -8.077
178 HG2 ARG 32 2HG ARG 32 6.583 -0.273 -9.922
179 HG3 ARG 32 1HG ARG 32 7.248 0.962 -8.861
180 HD2 ARG 32 2HD ARG 32 8.182 -1.897 -8.754
181 HD3 ARG 32 1HD ARG 32 8.908 -0.714 -9.842
182 HE ARG 32 HE ARG 32 8.934 0.513 -7.432
183 HH11 ARG 32 1HH1 ARG 32 10.209 -2.639 -8.487
184 HH12 ARG 32 2HH1 ARG 32 11.529 -2.585 -7.415
185 HH21 ARG 32 1HH2 ARG 32 10.752 0.585 -6.059
186 HH22 ARG 32 2HH2 ARG 32 11.822 -0.746 -5.969
187 H CYS 33 H CYS 33 3.741 1.250 -5.631
188 HA CYS 33 HA CYS 33 2.164 -1.176 -5.298
189 HB2 CYS 33 2HB CYS 33 3.373 -0.378 -3.300
190 HB3 CYS 33 1HB CYS 33 2.533 1.165 -3.405
191 HA PRO 34 HA PRO 34 -1.190 0.962 -7.318
192 HB2 PRO 34 2HB PRO 34 -3.177 -0.814 -6.679
193 HB3 PRO 34 1HB PRO 34 -2.009 -1.080 -7.978
194 HG2 PRO 34 2HG PRO 34 -1.996 -2.132 -5.178
195 HG3 PRO 34 1HG PRO 34 -1.631 -2.984 -6.686
196 HD2 PRO 34 2HD PRO 34 0.313 -2.113 -5.064
197 HD3 PRO 34 1HD PRO 34 0.508 -2.072 -6.829
198 H CYS 35 H CYS 35 -1.045 0.251 -4.004
199 HA CYS 35 HA CYS 35 -3.434 1.690 -3.382
200 HB2 CYS 35 2HB CYS 35 -1.253 0.641 -1.598
201 HB3 CYS 35 1HB CYS 35 -2.666 1.502 -0.997
202 H TYR 36 H TYR 36 -0.035 2.237 -2.696
203 HA TYR 36 HA TYR 36 -0.103 4.785 -1.685
204 HB2 TYR 36 2HB TYR 36 1.881 3.433 -1.643
205 HB3 TYR 36 1HB TYR 36 1.964 3.420 -3.398
206 HD1 TYR 36 1HD TYR 36 2.433 5.496 -0.387
207 HD2 TYR 36 2HD TYR 36 2.991 5.210 -4.590
208 HE1 TYR 36 1HE TYR 36 3.938 7.438 -0.320
209 HE2 TYR 36 2HE TYR 36 4.477 7.133 -4.550
210 HH TYR 36 HH TYR 36 4.905 9.046 -3.157
211 H LYS 37 H LYS 37 0.412 3.857 -5.062
212 HA LYS 37 HA LYS 37 0.730 6.524 -5.965
213 HB2 LYS 37 2HB LYS 37 1.761 4.478 -6.956
214 HB3 LYS 37 1HB LYS 37 0.168 4.050 -7.565
215 HG2 LYS 37 2HG LYS 37 0.158 6.183 -8.849
216 HG3 LYS 37 1HG LYS 37 1.812 6.450 -8.291
217 HD2 LYS 37 2HD LYS 37 1.786 5.481 -10.547
218 HD3 LYS 37 1HD LYS 37 2.524 4.381 -9.382
219 HE2 LYS 37 2HE LYS 37 0.469 3.086 -9.253
220 HE3 LYS 37 1HE LYS 37 -0.343 4.230 -10.323
221 HZ1 LYS 37 3HZ LYS 37 0.301 2.336 -11.555
222 HZ2 LYS 37 1HZ LYS 37 1.915 2.424 -11.023
223 HZ3 LYS 37 2HZ LYS 37 1.292 3.611 -12.023
224 H SER 38 H SER 38 -2.050 4.377 -5.764
225 HA SER 38 HA SER 38 -3.595 6.299 -7.329
226 HB2 SER 38 2HB SER 38 -4.296 3.461 -6.556
227 HB3 SER 38 1HB SER 38 -5.261 4.517 -7.587
228 HG SER 38 HG SER 38 -4.113 3.845 -9.150
229 H TYR 39 H TYR 39 -2.800 6.233 -4.316
230 HA TYR 39 HA TYR 39 -3.602 7.165 -2.408
231 HB2 TYR 39 2HB TYR 39 -5.941 8.018 -4.134
232 HB3 TYR 39 1HB TYR 39 -5.635 8.588 -2.500
233 HD1 TYR 39 2HD TYR 39 -3.495 9.889 -2.077
234 HD2 TYR 39 1HD TYR 39 -4.943 9.056 -5.980
235 HE1 TYR 39 2HE TYR 39 -2.110 11.715 -2.969
236 HE2 TYR 39 1HE TYR 39 -3.568 10.878 -6.889
237 HH TYR 39 HH TYR 39 -1.076 12.337 -5.198
238 H ASN 40 H ASN 40 -4.189 4.400 -2.870
239 HA ASN 40 HA ASN 40 -6.755 4.131 -1.464
240 HB2 ASN 40 2HB ASN 40 -5.134 1.893 -2.732
241 HB3 ASN 40 1HB ASN 40 -6.661 1.718 -1.899
242 HD21 ASN 40 1HD2 ASN 40 -5.120 2.537 -4.855
243 HD22 ASN 40 2HD2 ASN 40 -6.575 2.805 -5.739
244 H SER 41 H SER 41 -6.816 2.499 0.270
245 HA SER 41 HA SER 41 -4.607 3.011 2.046
246 HB2 SER 41 2HB SER 41 -6.390 2.172 3.656
247 HB3 SER 41 1HB SER 41 -6.672 3.719 2.847
248 HG SER 41 HG SER 41 -8.402 1.831 2.852
249 H CYS 42 H CYS 42 -3.620 1.304 3.165
250 HA CYS 42 HA CYS 42 -4.110 -1.299 2.027
251 HB2 CYS 42 2HB CYS 42 -1.813 -0.303 3.678
252 HB3 CYS 42 1HB CYS 42 -2.116 -2.028 3.510
253 H ALA 43 H ALA 43 -6.097 -1.148 2.914
254 HA ALA 43 HA ALA 43 -6.171 -2.514 5.495
255 HB1 ALA 43 1HB ALA 43 -8.174 -0.500 4.429
256 HB2 ALA 43 2HB ALA 43 -7.104 -0.262 5.812
257 HB3 ALA 43 3HB ALA 43 -8.389 -1.467 5.890
258 H GLY 44 H GLY 44 -6.593 -4.510 4.936
259 HA2 GLY 44 2HA GLY 44 -8.105 -6.161 4.099
260 HA3 GLY 44 1HA GLY 44 -8.617 -5.008 2.866
261 H CYS 45 H CYS 45 -5.328 -4.889 3.282
262 HA CYS 45 HA CYS 45 -4.892 -6.345 0.788
263 HB2 CYS 45 2HB CYS 45 -3.049 -4.497 2.329
264 HB3 CYS 45 1HB CYS 45 -2.682 -5.252 0.792
265 H HIS 46 H HIS 46 -3.080 -7.784 0.661
266 HA HIS 46 HA HIS 46 -2.547 -9.098 3.231
267 HB2 HIS 46 2HB HIS 46 -2.830 -10.216 0.448
268 HB3 HIS 46 1HB HIS 46 -1.930 -11.101 1.674
269 HD1 HIS 46 1HD HIS 46 -3.559 -13.002 2.006
270 HD2 HIS 46 2HD HIS 46 -5.347 -9.281 2.415
271 HE1 HIS 46 1HE HIS 46 -5.840 -13.452 2.945
272 HE2 HIS 46 2HE HIS 46 -6.965 -11.198 3.004
273 H CYS 47 H CYS 47 -1.254 -6.853 2.128
274 HA CYS 47 HA CYS 47 1.285 -7.614 1.150
275 HB2 CYS 47 2HB CYS 47 1.880 -5.227 1.660
276 HB3 CYS 47 1HB CYS 47 0.572 -5.495 0.514
277 H VAL 48 H VAL 48 3.007 -8.024 2.097
278 HA VAL 48 HA VAL 48 3.147 -8.105 5.042
279 HB VAL 48 HB VAL 48 4.827 -9.618 2.997
280 HG11 VAL 48 1HG1 VAL 48 5.647 -10.924 4.897
281 HG12 VAL 48 2HG1 VAL 48 4.703 -9.920 5.995
282 HG13 VAL 48 3HG1 VAL 48 6.037 -9.213 5.083
283 HG21 VAL 48 3HG2 VAL 48 2.524 -10.417 3.001
284 HG22 VAL 48 1HG2 VAL 48 2.584 -10.618 4.753
285 HG23 VAL 48 2HG2 VAL 48 3.601 -11.617 3.715
286 H GLY 49 H GLY 49 4.540 -6.749 6.009
287 HA2 GLY 49 2HA GLY 49 6.274 -5.248 6.277
288 HA3 GLY 49 1HA GLY 49 6.909 -5.780 4.721
289 H CYS 50 H CYS 50 3.894 -4.269 5.772
290 HA CYS 50 HA CYS 50 3.944 -2.620 3.420
291 HB2 CYS 50 2HB CYS 50 1.872 -3.669 3.756
292 HB3 CYS 50 1HB CYS 50 1.867 -3.305 5.476
293 H LYS 51 H LYS 51 4.772 -0.648 3.587
294 HA LYS 51 HA LYS 51 4.086 0.851 5.999
295 HB2 LYS 51 2HB LYS 51 6.448 1.240 4.130
296 HB3 LYS 51 1HB LYS 51 5.991 2.360 5.398
297 HG2 LYS 51 2HG LYS 51 6.830 -0.494 5.837
298 HG3 LYS 51 1HG LYS 51 7.883 0.913 6.001
299 HD2 LYS 51 2HD LYS 51 6.384 1.788 7.762
300 HD3 LYS 51 1HD LYS 51 5.391 0.340 7.611
301 HE2 LYS 51 2HE LYS 51 7.237 -1.054 8.281
302 HE3 LYS 51 1HE LYS 51 8.312 0.345 8.326
303 HZ1 LYS 51 3HZ LYS 51 7.016 1.239 10.129
304 HZ2 LYS 51 1HZ LYS 51 7.552 -0.315 10.503
305 HZ3 LYS 51 2HZ LYS 51 5.939 -0.060 10.071
306 H ASN 52 H ASN 52 2.170 1.483 5.205
307 HA ASN 52 HA ASN 52 2.275 2.968 2.694
308 HB2 ASN 52 2HB ASN 52 0.636 0.998 2.896
309 HB3 ASN 52 1HB ASN 52 -0.255 2.010 4.028
310 HD21 ASN 52 1HD2 ASN 52 -1.316 1.076 1.616
311 HD22 ASN 52 2HD2 ASN 52 -1.632 2.460 0.632
312 HA PRO 53 HA PRO 53 1.654 6.403 5.544
313 HB2 PRO 53 2HB PRO 53 1.744 8.341 3.606
314 HB3 PRO 53 1HB PRO 53 3.188 7.651 4.352
315 HG2 PRO 53 2HG PRO 53 1.942 7.047 1.716
316 HG3 PRO 53 1HG PRO 53 3.655 7.126 2.158
317 HD2 PRO 53 2HD PRO 53 2.271 4.804 1.837
318 HD3 PRO 53 1HD PRO 53 3.669 4.947 2.924
319 H HIS 54 H HIS 54 -0.181 5.262 2.936
320 HA HIS 54 HA HIS 54 -2.361 7.140 3.373
321 HB2 HIS 54 2HB HIS 54 -2.112 4.952 1.291
322 HB3 HIS 54 1HB HIS 54 -3.450 6.078 1.426
323 HD1 HIS 54 1HD HIS 54 -3.153 8.350 0.333
324 HD2 HIS 54 2HD HIS 54 0.310 6.078 0.338
325 HE1 HIS 54 1HE HIS 54 -1.575 9.531 -1.208
326 HE2 HIS 54 2HE HIS 54 0.421 8.057 -1.352
327 H LYS 55 H LYS 55 -3.246 6.559 5.160
328 HA LYS 55 HA LYS 55 -4.099 3.814 5.545
329 HB2 LYS 55 2HB LYS 55 -5.019 4.723 7.799
330 HB3 LYS 55 1HB LYS 55 -3.287 4.551 7.636
331 HG2 LYS 55 2HG LYS 55 -4.638 7.181 7.133
332 HG3 LYS 55 1HG LYS 55 -4.218 6.667 8.768
333 HD2 LYS 55 2HD LYS 55 -1.891 6.468 8.142
334 HD3 LYS 55 1HD LYS 55 -2.250 6.852 6.470
335 HE2 LYS 55 2HE LYS 55 -3.044 9.071 7.212
336 HE3 LYS 55 1HE LYS 55 -2.564 8.641 8.854
337 HZ1 LYS 55 3HZ LYS 55 -0.743 8.762 6.513
338 HZ2 LYS 55 1HZ LYS 55 -0.283 8.376 8.081
339 HZ3 LYS 55 2HZ LYS 55 -0.830 9.918 7.720
340 H GLU 56 H GLU 56 -6.482 3.786 6.564
341 HA GLU 56 HA GLU 56 -7.888 4.606 4.223
342 HB2 GLU 56 2HB GLU 56 -8.130 2.341 5.210
343 HB3 GLU 56 1HB GLU 56 -8.969 3.078 6.568
344 HG2 GLU 56 2HG GLU 56 -10.815 3.638 5.290
345 HG3 GLU 56 1HG GLU 56 -9.912 3.537 3.777
346 H ASP 57 H ASP 57 -8.269 6.592 4.115
347 HA ASP 57 HA ASP 57 -9.488 8.055 6.305
348 HB2 ASP 57 2HB ASP 57 -7.776 9.129 4.763
349 HB3 ASP 57 1HB ASP 57 -8.988 8.910 3.493
350 H TYR 58 H TYR 58 -11.510 7.903 6.537
351 HA TYR 58 HA TYR 58 -13.324 7.822 4.259
352 HB2 TYR 58 2HB TYR 58 -12.722 5.461 4.895
353 HB3 TYR 58 1HB TYR 58 -13.390 5.776 6.485
354 HD1 TYR 58 1HD TYR 58 -14.169 5.358 2.925
355 HD2 TYR 58 2HD TYR 58 -15.780 5.716 6.842
356 HE1 TYR 58 1HE TYR 58 -16.338 4.576 2.097
357 HE2 TYR 58 2HE TYR 58 -17.963 4.942 6.021
358 HH TYR 58 HH TYR 58 -19.208 4.703 4.005
359 H VAL 59 H VAL 59 -14.944 9.189 4.711
360 HA VAL 59 HA VAL 59 -15.094 10.157 7.391
361 HB VAL 59 HB VAL 59 -16.749 11.871 6.480
362 HG11 VAL 59 1HG1 VAL 59 -15.011 13.207 5.363
363 HG12 VAL 59 2HG1 VAL 59 -13.994 11.772 5.253
364 HG13 VAL 59 3HG1 VAL 59 -14.422 12.435 6.832
365 HG21 VAL 59 3HG2 VAL 59 -17.472 10.670 4.469
366 HG22 VAL 59 1HG2 VAL 59 -15.833 10.764 3.826
367 HG23 VAL 59 2HG2 VAL 59 -16.776 12.236 4.050
Start of MODEL 6
1 H1 SER 8 1HT SER 8 -16.772 4.923 1.157
2 H2 SER 8 2HT SER 8 -17.347 3.535 0.370
3 H3 SER 8 3HT SER 8 -17.116 4.941 -0.492
4 HA SER 8 HA SER 8 -14.769 4.806 -0.193
5 HB2 SER 8 2HB SER 8 -14.915 3.635 2.054
6 HB3 SER 8 1HB SER 8 -15.376 2.174 1.196
7 HG SER 8 HG SER 8 -12.888 3.545 1.134
8 HA PRO 9 HA PRO 9 -15.819 2.656 -4.061
9 HB2 PRO 9 2HB PRO 9 -13.148 3.745 -4.761
10 HB3 PRO 9 1HB PRO 9 -14.675 3.907 -5.630
11 HG2 PRO 9 2HG PRO 9 -13.611 5.964 -4.305
12 HG3 PRO 9 1HG PRO 9 -15.363 5.708 -4.354
13 HD2 PRO 9 2HD PRO 9 -13.431 5.150 -2.144
14 HD3 PRO 9 1HD PRO 9 -15.099 5.756 -2.088
15 HA PRO 10 HA PRO 10 -13.487 -1.023 -3.292
16 HB2 PRO 10 2HB PRO 10 -13.090 -1.800 -5.968
17 HB3 PRO 10 1HB PRO 10 -14.450 -2.262 -4.943
18 HG2 PRO 10 2HG PRO 10 -14.268 -0.121 -7.000
19 HG3 PRO 10 1HG PRO 10 -15.653 -1.134 -6.545
20 HD2 PRO 10 2HD PRO 10 -15.449 1.444 -5.810
21 HD3 PRO 10 1HD PRO 10 -16.197 0.222 -4.763
22 H LYS 11 H LYS 11 -11.390 -1.200 -2.828
23 HA LYS 11 HA LYS 11 -9.570 0.354 -4.475
24 HB2 LYS 11 2HB LYS 11 -8.154 0.689 -2.533
25 HB3 LYS 11 1HB LYS 11 -9.777 1.245 -2.208
26 HG2 LYS 11 2HG LYS 11 -10.196 -0.767 -0.879
27 HG3 LYS 11 1HG LYS 11 -8.556 -1.330 -1.226
28 HD2 LYS 11 2HD LYS 11 -7.688 0.791 -0.217
29 HD3 LYS 11 1HD LYS 11 -9.336 1.175 0.269
30 HE2 LYS 11 2HE LYS 11 -7.788 -1.269 1.109
31 HE3 LYS 11 1HE LYS 11 -7.990 0.187 2.075
32 HZ1 LYS 11 3HZ LYS 11 -10.361 -0.234 2.160
33 HZ2 LYS 11 1HZ LYS 11 -9.488 -1.553 2.719
34 HZ3 LYS 11 2HZ LYS 11 -10.194 -1.612 1.193
35 HA PRO 12 HA PRO 12 -7.425 -3.338 -5.574
36 HB2 PRO 12 2HB PRO 12 -4.867 -1.928 -5.370
37 HB3 PRO 12 1HB PRO 12 -5.651 -2.581 -6.801
38 HG2 PRO 12 2HG PRO 12 -5.446 0.066 -6.369
39 HG3 PRO 12 1HG PRO 12 -6.810 -0.665 -7.230
40 HD2 PRO 12 2HD PRO 12 -6.650 0.354 -4.434
41 HD3 PRO 12 1HD PRO 12 -7.983 0.435 -5.605
42 H LYS 13 H LYS 13 -6.333 -5.018 -4.618
43 HA LYS 13 HA LYS 13 -5.157 -4.467 -2.000
44 HB2 LYS 13 2HB LYS 13 -6.311 -7.133 -2.919
45 HB3 LYS 13 1HB LYS 13 -5.555 -6.781 -1.375
46 HG2 LYS 13 2HG LYS 13 -7.887 -6.903 -1.006
47 HG3 LYS 13 1HG LYS 13 -7.431 -5.204 -0.889
48 HD2 LYS 13 2HD LYS 13 -8.237 -4.848 -3.170
49 HD3 LYS 13 1HD LYS 13 -8.665 -6.553 -3.283
50 HE2 LYS 13 2HE LYS 13 -10.260 -6.280 -1.470
51 HE3 LYS 13 1HE LYS 13 -9.810 -4.581 -1.315
52 HZ1 LYS 13 3HZ LYS 13 -11.833 -4.876 -2.572
53 HZ2 LYS 13 1HZ LYS 13 -11.043 -5.806 -3.732
54 HZ3 LYS 13 2HZ LYS 13 -10.643 -4.174 -3.528
55 H CYS 14 H CYS 14 -3.123 -4.550 -2.055
56 HA CYS 14 HA CYS 14 -1.782 -5.873 -4.268
57 HB2 CYS 14 2HB CYS 14 0.201 -4.605 -3.506
58 HB3 CYS 14 1HB CYS 14 -1.176 -3.565 -3.842
59 H ARG 15 H ARG 15 -0.005 -7.252 -3.875
60 HA ARG 15 HA ARG 15 -0.168 -8.658 -1.302
61 HB2 ARG 15 2HB ARG 15 0.553 -9.744 -4.049
62 HB3 ARG 15 1HB ARG 15 0.779 -10.644 -2.560
63 HG2 ARG 15 2HG ARG 15 -1.229 -11.443 -3.525
64 HG3 ARG 15 1HG ARG 15 -1.709 -10.418 -2.177
65 HD2 ARG 15 2HD ARG 15 -2.051 -8.565 -3.835
66 HD3 ARG 15 1HD ARG 15 -1.753 -9.738 -5.110
67 HE ARG 15 HE ARG 15 -3.823 -10.350 -3.188
68 HH11 ARG 15 1HH1 ARG 15 -3.029 -9.375 -6.491
69 HH12 ARG 15 2HH1 ARG 15 -4.635 -9.421 -7.055
70 HH21 ARG 15 1HH2 ARG 15 -6.045 -10.465 -3.984
71 HH22 ARG 15 2HH2 ARG 15 -6.370 -10.107 -5.605
72 H CYS 16 H CYS 16 1.295 -6.363 -1.833
73 HA CYS 16 HA CYS 16 4.000 -6.651 -2.370
74 HB2 CYS 16 2HB CYS 16 2.582 -4.751 -0.508
75 HB3 CYS 16 1HB CYS 16 4.279 -4.598 -0.929
76 H GLY 17 H GLY 17 5.708 -7.329 -1.254
77 HA2 GLY 17 2HA GLY 17 6.914 -7.760 0.768
78 HA3 GLY 17 1HA GLY 17 5.370 -8.039 1.578
79 H ILE 18 H ILE 18 4.124 -9.592 -0.223
80 HA ILE 18 HA ILE 18 5.468 -12.136 -0.001
81 HB ILE 18 HB ILE 18 2.952 -11.488 -1.595
82 HG12 ILE 18 2HG1 ILE 18 3.178 -12.163 1.354
83 HG13 ILE 18 1HG1 ILE 18 2.650 -10.646 0.668
84 HG21 ILE 18 1HG2 ILE 18 2.388 -13.847 -1.177
85 HG22 ILE 18 2HG2 ILE 18 3.903 -14.049 -0.301
86 HG23 ILE 18 3HG2 ILE 18 3.926 -13.691 -2.025
87 HD11 ILE 18 3HD1 ILE 18 0.676 -11.711 -0.283
88 HD12 ILE 18 1HD1 ILE 18 0.752 -11.941 1.462
89 HD13 ILE 18 2HD1 ILE 18 1.188 -13.263 0.382
90 H SER 19 H SER 19 4.278 -9.910 -2.409
91 HA SER 19 HA SER 19 6.386 -10.678 -4.281
92 HB2 SER 19 2HB SER 19 3.719 -9.355 -4.871
93 HB3 SER 19 1HB SER 19 4.869 -10.029 -6.031
94 HG SER 19 HG SER 19 4.335 -12.020 -5.467
95 H GLY 20 H GLY 20 7.935 -9.116 -3.765
96 HA2 GLY 20 2HA GLY 20 7.209 -6.350 -4.075
97 HA3 GLY 20 1HA GLY 20 7.650 -6.787 -2.430
98 H SER 21 H SER 21 8.775 -6.494 -5.722
99 HA SER 21 HA SER 21 11.487 -7.133 -5.009
100 HB2 SER 21 2HB SER 21 11.760 -6.543 -7.486
101 HB3 SER 21 1HB SER 21 10.750 -7.942 -7.095
102 HG SER 21 HG SER 21 9.320 -6.927 -8.260
103 H SER 22 H SER 22 9.478 -4.416 -5.026
104 HA SER 22 HA SER 22 11.583 -2.513 -5.643
105 HB2 SER 22 2HB SER 22 8.677 -2.032 -5.006
106 HB3 SER 22 1HB SER 22 9.804 -0.917 -5.786
107 HG SER 22 HG SER 22 8.757 -3.346 -6.806
108 H ASN 23 H ASN 23 12.343 -3.704 -3.438
109 HA ASN 23 HA ASN 23 13.234 -3.321 -1.388
110 HB2 ASN 23 2HB ASN 23 11.848 -0.631 -1.516
111 HB3 ASN 23 1HB ASN 23 12.927 -1.120 -0.221
112 HD21 ASN 23 1HD2 ASN 23 13.085 1.076 -2.119
113 HD22 ASN 23 2HD2 ASN 23 14.581 0.909 -2.938
114 H THR 24 H THR 24 12.556 -4.536 0.254
115 HA THR 24 HA THR 24 9.797 -4.770 0.834
116 HB THR 24 HB THR 24 10.685 -6.222 2.749
117 HG1 THR 24 1HG THR 24 12.734 -5.854 3.100
118 HG21 THR 24 3HG2 THR 24 9.902 -7.152 0.632
119 HG22 THR 24 1HG2 THR 24 11.331 -8.023 1.181
120 HG23 THR 24 2HG2 THR 24 11.467 -6.824 -0.107
121 H LEU 25 H LEU 25 11.937 -2.443 1.728
122 HA LEU 25 HA LEU 25 10.711 -1.940 4.344
123 HB2 LEU 25 2HB LEU 25 12.979 -0.518 2.931
124 HB3 LEU 25 1HB LEU 25 12.349 -0.050 4.488
125 HG LEU 25 HG LEU 25 14.382 -1.153 4.867
126 HD11 LEU 25 1HD1 LEU 25 13.805 -3.077 6.222
127 HD12 LEU 25 2HD1 LEU 25 12.198 -3.094 5.500
128 HD13 LEU 25 3HD1 LEU 25 12.713 -1.715 6.473
129 HD21 LEU 25 3HD2 LEU 25 14.923 -3.411 4.088
130 HD22 LEU 25 1HD2 LEU 25 14.666 -2.304 2.739
131 HD23 LEU 25 2HD2 LEU 25 13.410 -3.460 3.183
132 H THR 26 H THR 26 10.328 -1.119 1.098
133 HA THR 26 HA THR 26 8.790 1.296 1.768
134 HB THR 26 HB THR 26 10.535 1.083 -0.710
135 HG1 THR 26 1HG THR 26 11.198 2.250 1.798
136 HG21 THR 26 3HG2 THR 26 9.444 3.443 0.852
137 HG22 THR 26 1HG2 THR 26 8.797 2.836 -0.672
138 HG23 THR 26 2HG2 THR 26 10.414 3.546 -0.612
139 H THR 27 H THR 27 8.182 -1.554 1.240
140 HA THR 27 HA THR 27 7.588 -2.466 -1.192
141 HB THR 27 HB THR 27 5.574 -2.988 0.857
142 HG1 THR 27 1HG THR 27 7.017 -3.476 2.465
143 HG21 THR 27 3HG2 THR 27 7.787 -4.725 -0.259
144 HG22 THR 27 1HG2 THR 27 6.233 -4.478 -1.071
145 HG23 THR 27 2HG2 THR 27 6.276 -5.225 0.516
146 H CYS 28 H CYS 28 5.159 -1.062 0.941
147 HA CYS 28 HA CYS 28 3.426 -0.508 -1.293
148 HB2 CYS 28 2HB CYS 28 2.987 -0.369 1.670
149 HB3 CYS 28 1HB CYS 28 1.758 0.091 0.496
150 H ARG 29 H ARG 29 5.868 1.106 0.021
151 HA ARG 29 HA ARG 29 4.501 3.698 0.171
152 HB2 ARG 29 2HB ARG 29 5.837 2.780 2.119
153 HB3 ARG 29 1HB ARG 29 7.273 3.011 1.135
154 HG2 ARG 29 2HG ARG 29 6.829 5.400 1.042
155 HG3 ARG 29 1HG ARG 29 5.371 5.176 1.999
156 HD2 ARG 29 2HD ARG 29 6.741 4.254 3.825
157 HD3 ARG 29 1HD ARG 29 8.188 4.574 2.866
158 HE ARG 29 HE ARG 29 6.711 6.908 3.044
159 HH11 ARG 29 1HH1 ARG 29 8.608 4.791 5.154
160 HH12 ARG 29 2HH1 ARG 29 9.062 6.022 6.231
161 HH21 ARG 29 1HH2 ARG 29 7.287 8.606 4.573
162 HH22 ARG 29 2HH2 ARG 29 8.294 8.234 5.891
163 H ASN 30 H ASN 30 5.460 2.233 -2.308
164 HA ASN 30 HA ASN 30 6.954 4.512 -3.348
165 HB2 ASN 30 2HB ASN 30 8.389 3.154 -4.724
166 HB3 ASN 30 1HB ASN 30 8.510 2.536 -3.084
167 HD21 ASN 30 1HD2 ASN 30 7.670 0.500 -2.637
168 HD22 ASN 30 2HD2 ASN 30 7.195 -0.591 -3.874
169 H SER 31 H SER 31 6.832 4.576 -5.806
170 HA SER 31 HA SER 31 4.130 4.890 -6.414
171 HB2 SER 31 2HB SER 31 5.235 5.532 -8.660
172 HB3 SER 31 1HB SER 31 5.540 6.512 -7.219
173 HG SER 31 HG SER 31 7.506 6.085 -8.138
174 H ARG 32 H ARG 32 5.832 2.007 -6.577
175 HA ARG 32 HA ARG 32 4.464 1.142 -8.999
176 HB2 ARG 32 2HB ARG 32 6.374 -0.362 -7.210
177 HB3 ARG 32 1HB ARG 32 5.694 -0.974 -8.708
178 HG2 ARG 32 2HG ARG 32 6.867 0.736 -9.966
179 HG3 ARG 32 1HG ARG 32 7.495 1.423 -8.461
180 HD2 ARG 32 2HD ARG 32 8.593 -0.726 -7.980
181 HD3 ARG 32 1HD ARG 32 8.030 -1.337 -9.530
182 HE ARG 32 HE ARG 32 9.388 0.917 -10.169
183 HH11 ARG 32 1HH1 ARG 32 10.236 -1.959 -8.288
184 HH12 ARG 32 2HH1 ARG 32 11.873 -1.970 -8.715
185 HH21 ARG 32 1HH2 ARG 32 11.638 0.926 -10.790
186 HH22 ARG 32 2HH2 ARG 32 12.704 -0.269 -10.194
187 H CYS 33 H CYS 33 3.855 1.365 -5.722
188 HA CYS 33 HA CYS 33 2.313 -1.064 -5.564
189 HB2 CYS 33 2HB CYS 33 3.472 -0.231 -3.543
190 HB3 CYS 33 1HB CYS 33 2.510 1.243 -3.603
191 HA PRO 34 HA PRO 34 -1.080 0.835 -7.705
192 HB2 PRO 34 2HB PRO 34 -2.988 -1.032 -7.007
193 HB3 PRO 34 1HB PRO 34 -1.834 -1.227 -8.327
194 HG2 PRO 34 2HG PRO 34 -1.709 -2.282 -5.533
195 HG3 PRO 34 1HG PRO 34 -1.293 -3.098 -7.051
196 HD2 PRO 34 2HD PRO 34 0.591 -2.128 -5.445
197 HD3 PRO 34 1HD PRO 34 0.758 -2.016 -7.212
198 H CYS 35 H CYS 35 -1.165 0.071 -4.343
199 HA CYS 35 HA CYS 35 -3.615 1.470 -3.809
200 HB2 CYS 35 2HB CYS 35 -1.436 0.563 -1.935
201 HB3 CYS 35 1HB CYS 35 -2.995 1.207 -1.431
202 H TYR 36 H TYR 36 -0.274 2.103 -2.872
203 HA TYR 36 HA TYR 36 -0.351 4.571 -1.740
204 HB2 TYR 36 2HB TYR 36 1.615 3.161 -1.851
205 HB3 TYR 36 1HB TYR 36 1.701 3.377 -3.586
206 HD1 TYR 36 1HD TYR 36 2.261 4.978 -0.333
207 HD2 TYR 36 2HD TYR 36 2.737 5.334 -4.535
208 HE1 TYR 36 1HE TYR 36 3.861 6.813 0.008
209 HE2 TYR 36 2HE TYR 36 4.314 7.157 -4.238
210 HH TYR 36 HH TYR 36 5.670 7.856 -1.131
211 H LYS 37 H LYS 37 0.253 3.909 -5.143
212 HA LYS 37 HA LYS 37 0.514 6.565 -6.005
213 HB2 LYS 37 2HB LYS 37 1.151 4.204 -7.010
214 HB3 LYS 37 1HB LYS 37 -0.410 4.333 -7.782
215 HG2 LYS 37 2HG LYS 37 1.824 6.325 -8.109
216 HG3 LYS 37 1HG LYS 37 1.578 4.964 -9.181
217 HD2 LYS 37 2HD LYS 37 0.486 6.573 -10.404
218 HD3 LYS 37 1HD LYS 37 -0.851 6.059 -9.385
219 HE2 LYS 37 2HE LYS 37 -0.744 8.493 -9.482
220 HE3 LYS 37 1HE LYS 37 -0.385 7.925 -7.854
221 HZ1 LYS 37 3HZ LYS 37 1.148 9.669 -8.558
222 HZ2 LYS 37 1HZ LYS 37 1.635 8.727 -9.870
223 HZ3 LYS 37 2HZ LYS 37 1.960 8.219 -8.313
224 H SER 38 H SER 38 -2.256 4.382 -5.787
225 HA SER 38 HA SER 38 -3.960 6.289 -7.162
226 HB2 SER 38 2HB SER 38 -4.617 3.573 -6.033
227 HB3 SER 38 1HB SER 38 -5.619 4.531 -7.130
228 HG SER 38 HG SER 38 -3.512 2.915 -7.642
229 H TYR 39 H TYR 39 -2.804 6.476 -4.274
230 HA TYR 39 HA TYR 39 -3.360 7.521 -2.343
231 HB2 TYR 39 2HB TYR 39 -5.996 8.147 -3.698
232 HB3 TYR 39 1HB TYR 39 -5.405 8.891 -2.221
233 HD1 TYR 39 2HD TYR 39 -3.473 10.458 -2.331
234 HD2 TYR 39 1HD TYR 39 -5.269 8.857 -5.832
235 HE1 TYR 39 2HE TYR 39 -2.407 12.216 -3.677
236 HE2 TYR 39 1HE TYR 39 -4.216 10.602 -7.183
237 HH TYR 39 HH TYR 39 -3.376 12.856 -6.823
238 H ASN 40 H ASN 40 -4.139 4.677 -2.878
239 HA ASN 40 HA ASN 40 -6.372 4.506 -1.014
240 HB2 ASN 40 2HB ASN 40 -5.342 2.390 -2.912
241 HB3 ASN 40 1HB ASN 40 -6.523 2.065 -1.655
242 HD21 ASN 40 1HD2 ASN 40 -6.032 3.120 -4.811
243 HD22 ASN 40 2HD2 ASN 40 -7.643 3.647 -5.146
244 H SER 41 H SER 41 -6.367 2.934 0.598
245 HA SER 41 HA SER 41 -3.845 2.822 1.950
246 HB2 SER 41 2HB SER 41 -5.598 2.045 3.721
247 HB3 SER 41 1HB SER 41 -5.524 3.740 3.201
248 HG SER 41 HG SER 41 -7.601 2.119 3.040
249 H CYS 42 H CYS 42 -3.625 0.726 3.302
250 HA CYS 42 HA CYS 42 -4.141 -1.531 1.523
251 HB2 CYS 42 2HB CYS 42 -1.823 -0.994 3.337
252 HB3 CYS 42 1HB CYS 42 -2.161 -2.596 2.685
253 H ALA 43 H ALA 43 -5.611 -0.361 3.971
254 HA ALA 43 HA ALA 43 -5.648 -2.544 5.770
255 HB1 ALA 43 1HB ALA 43 -7.769 -1.541 6.598
256 HB2 ALA 43 2HB ALA 43 -7.738 -0.409 5.244
257 HB3 ALA 43 3HB ALA 43 -6.474 -0.354 6.469
258 H GLY 44 H GLY 44 -6.281 -4.505 5.212
259 HA2 GLY 44 2HA GLY 44 -8.015 -5.975 4.469
260 HA3 GLY 44 1HA GLY 44 -8.429 -4.778 3.244
261 H CYS 45 H CYS 45 -5.334 -4.487 2.898
262 HA CYS 45 HA CYS 45 -5.084 -6.436 0.788
263 HB2 CYS 45 2HB CYS 45 -2.992 -4.603 1.984
264 HB3 CYS 45 1HB CYS 45 -2.786 -5.573 0.543
265 H HIS 46 H HIS 46 -3.535 -8.109 0.759
266 HA HIS 46 HA HIS 46 -2.981 -9.186 3.418
267 HB2 HIS 46 2HB HIS 46 -2.934 -10.455 0.673
268 HB3 HIS 46 1HB HIS 46 -2.341 -11.283 2.099
269 HD1 HIS 46 1HD HIS 46 -4.048 -12.990 2.664
270 HD2 HIS 46 2HD HIS 46 -5.802 -9.381 1.608
271 HE1 HIS 46 1HE HIS 46 -6.512 -13.328 2.950
272 HE2 HIS 46 2HE HIS 46 -7.488 -11.033 2.606
273 H CYS 47 H CYS 47 -1.526 -7.007 2.001
274 HA CYS 47 HA CYS 47 1.047 -7.968 1.353
275 HB2 CYS 47 2HB CYS 47 1.730 -5.549 1.564
276 HB3 CYS 47 1HB CYS 47 0.519 -5.913 0.355
277 H VAL 48 H VAL 48 2.751 -8.245 2.452
278 HA VAL 48 HA VAL 48 2.597 -8.016 5.396
279 HB VAL 48 HB VAL 48 4.379 -9.879 3.798
280 HG11 VAL 48 1HG1 VAL 48 5.202 -9.365 6.026
281 HG12 VAL 48 2HG1 VAL 48 4.707 -11.049 5.909
282 HG13 VAL 48 3HG1 VAL 48 3.668 -9.882 6.728
283 HG21 VAL 48 3HG2 VAL 48 2.066 -10.514 3.393
284 HG22 VAL 48 1HG2 VAL 48 1.753 -10.552 5.131
285 HG23 VAL 48 2HG2 VAL 48 2.871 -11.711 4.403
286 H GLY 49 H GLY 49 3.953 -6.514 6.187
287 HA2 GLY 49 2HA GLY 49 5.925 -5.262 6.349
288 HA3 GLY 49 1HA GLY 49 6.459 -5.953 4.812
289 H CYS 50 H CYS 50 3.458 -4.383 5.675
290 HA CYS 50 HA CYS 50 3.613 -2.775 3.301
291 HB2 CYS 50 2HB CYS 50 1.512 -3.779 3.561
292 HB3 CYS 50 1HB CYS 50 1.451 -3.400 5.281
293 H LYS 51 H LYS 51 4.493 -0.830 3.466
294 HA LYS 51 HA LYS 51 3.878 0.724 5.874
295 HB2 LYS 51 2HB LYS 51 6.146 1.086 3.893
296 HB3 LYS 51 1HB LYS 51 5.870 2.081 5.308
297 HG2 LYS 51 2HG LYS 51 6.596 -0.845 5.318
298 HG3 LYS 51 1HG LYS 51 7.698 0.489 5.630
299 HD2 LYS 51 2HD LYS 51 5.268 -0.221 7.293
300 HD3 LYS 51 1HD LYS 51 6.941 -0.599 7.696
301 HE2 LYS 51 2HE LYS 51 7.457 1.807 7.781
302 HE3 LYS 51 1HE LYS 51 5.780 2.172 7.386
303 HZ1 LYS 51 3HZ LYS 51 6.735 0.791 9.830
304 HZ2 LYS 51 1HZ LYS 51 5.112 1.089 9.457
305 HZ3 LYS 51 2HZ LYS 51 6.169 2.370 9.730
306 H ASN 52 H ASN 52 1.923 1.414 5.085
307 HA ASN 52 HA ASN 52 2.047 2.950 2.594
308 HB2 ASN 52 2HB ASN 52 0.375 1.040 2.756
309 HB3 ASN 52 1HB ASN 52 -0.459 1.986 3.982
310 HD21 ASN 52 1HD2 ASN 52 -1.547 1.146 1.505
311 HD22 ASN 52 2HD2 ASN 52 -1.945 2.573 0.618
312 HA PRO 53 HA PRO 53 1.601 6.379 5.509
313 HB2 PRO 53 2HB PRO 53 2.065 8.362 3.723
314 HB3 PRO 53 1HB PRO 53 3.362 7.391 4.427
315 HG2 PRO 53 2HG PRO 53 2.046 7.147 1.756
316 HG3 PRO 53 1HG PRO 53 3.764 7.008 2.176
317 HD2 PRO 53 2HD PRO 53 2.144 4.859 1.750
318 HD3 PRO 53 1HD PRO 53 3.549 4.814 2.830
319 H HIS 54 H HIS 54 -0.347 5.387 3.008
320 HA HIS 54 HA HIS 54 -2.321 7.525 3.364
321 HB2 HIS 54 2HB HIS 54 -2.141 5.295 1.310
322 HB3 HIS 54 1HB HIS 54 -3.540 6.338 1.447
323 HD1 HIS 54 1HD HIS 54 -3.332 8.715 0.442
324 HD2 HIS 54 2HD HIS 54 0.172 6.486 0.225
325 HE1 HIS 54 1HE HIS 54 -1.827 9.969 -1.117
326 HE2 HIS 54 2HE HIS 54 0.196 8.542 -1.382
327 H LYS 55 H LYS 55 -4.452 6.947 4.055
328 HA LYS 55 HA LYS 55 -4.971 4.268 4.975
329 HB2 LYS 55 2HB LYS 55 -3.457 5.709 6.660
330 HB3 LYS 55 1HB LYS 55 -5.015 6.390 7.086
331 HG2 LYS 55 2HG LYS 55 -4.284 3.479 7.193
332 HG3 LYS 55 1HG LYS 55 -4.326 4.571 8.583
333 HD2 LYS 55 2HD LYS 55 -6.700 4.867 8.311
334 HD3 LYS 55 1HD LYS 55 -6.680 3.940 6.816
335 HE2 LYS 55 2HE LYS 55 -5.880 1.982 8.156
336 HE3 LYS 55 1HE LYS 55 -6.191 2.945 9.606
337 HZ1 LYS 55 3HZ LYS 55 -8.078 1.509 9.013
338 HZ2 LYS 55 1HZ LYS 55 -8.153 2.299 7.515
339 HZ3 LYS 55 2HZ LYS 55 -8.490 3.153 8.937
340 H GLU 56 H GLU 56 -7.290 4.029 5.039
341 HA GLU 56 HA GLU 56 -8.774 6.401 4.389
342 HB2 GLU 56 2HB GLU 56 -10.765 4.951 4.117
343 HB3 GLU 56 1HB GLU 56 -9.419 4.305 3.209
344 HG2 GLU 56 2HG GLU 56 -10.376 3.243 5.872
345 HG3 GLU 56 1HG GLU 56 -10.822 2.579 4.307
346 H ASP 57 H ASP 57 -8.901 7.716 6.015
347 HA ASP 57 HA ASP 57 -9.658 6.613 8.640
348 HB2 ASP 57 2HB ASP 57 -7.260 7.304 8.434
349 HB3 ASP 57 1HB ASP 57 -7.820 8.940 8.119
350 H TYR 58 H TYR 58 -11.268 7.662 9.714
351 HA TYR 58 HA TYR 58 -12.729 9.564 8.144
352 HB2 TYR 58 2HB TYR 58 -13.998 7.803 9.246
353 HB3 TYR 58 1HB TYR 58 -13.377 8.307 10.815
354 HD1 TYR 58 2HD TYR 58 -15.344 9.599 7.926
355 HD2 TYR 58 1HD TYR 58 -14.614 9.804 12.108
356 HE1 TYR 58 2HE TYR 58 -17.219 11.159 8.170
357 HE2 TYR 58 1HE TYR 58 -16.485 11.373 12.364
358 HH TYR 58 HH TYR 58 -17.669 12.984 10.966
359 H VAL 59 H VAL 59 -12.430 11.589 8.231
360 HA VAL 59 HA VAL 59 -11.295 12.826 10.618
361 HB VAL 59 HB VAL 59 -11.472 13.969 7.810
362 HG11 VAL 59 1HG1 VAL 59 -11.357 15.650 9.575
363 HG12 VAL 59 2HG1 VAL 59 -9.875 15.633 8.624
364 HG13 VAL 59 3HG1 VAL 59 -9.905 14.884 10.222
365 HG21 VAL 59 3HG2 VAL 59 -9.998 12.018 7.848
366 HG22 VAL 59 1HG2 VAL 59 -9.087 12.725 9.178
367 HG23 VAL 59 2HG2 VAL 59 -9.082 13.504 7.594
Start of MODEL 7
1 H1 SER 8 1HT SER 8 -19.493 -2.909 2.220
2 H2 SER 8 2HT SER 8 -20.265 -1.968 1.035
3 H3 SER 8 3HT SER 8 -20.516 -1.652 2.685
4 HA SER 8 HA SER 8 -19.034 -0.069 1.704
5 HB2 SER 8 2HB SER 8 -17.743 -1.973 3.664
6 HB3 SER 8 1HB SER 8 -17.333 -0.270 3.443
7 HG SER 8 HG SER 8 -19.127 -1.274 5.048
8 HA PRO 9 HA PRO 9 -16.441 -2.116 -1.327
9 HB2 PRO 9 2HB PRO 9 -15.728 0.059 -2.725
10 HB3 PRO 9 1HB PRO 9 -17.362 -0.611 -2.821
11 HG2 PRO 9 2HG PRO 9 -16.375 1.752 -1.286
12 HG3 PRO 9 1HG PRO 9 -17.883 1.552 -2.191
13 HD2 PRO 9 2HD PRO 9 -17.665 1.286 0.546
14 HD3 PRO 9 1HD PRO 9 -18.936 0.546 -0.449
15 HA PRO 10 HA PRO 10 -12.518 -1.182 0.773
16 HB2 PRO 10 2HB PRO 10 -11.544 -3.590 -0.567
17 HB3 PRO 10 1HB PRO 10 -11.721 -3.293 1.162
18 HG2 PRO 10 2HG PRO 10 -13.275 -5.048 -0.194
19 HG3 PRO 10 1HG PRO 10 -13.847 -4.157 1.227
20 HD2 PRO 10 2HD PRO 10 -14.364 -3.623 -1.675
21 HD3 PRO 10 1HD PRO 10 -15.461 -3.515 -0.279
22 H LYS 11 H LYS 11 -10.518 -0.526 -0.058
23 HA LYS 11 HA LYS 11 -10.661 0.242 -2.828
24 HB2 LYS 11 2HB LYS 11 -8.784 1.069 -0.583
25 HB3 LYS 11 1HB LYS 11 -8.633 1.671 -2.233
26 HG2 LYS 11 2HG LYS 11 -10.982 2.478 -2.087
27 HG3 LYS 11 1HG LYS 11 -10.997 2.015 -0.396
28 HD2 LYS 11 2HD LYS 11 -9.047 3.995 -1.564
29 HD3 LYS 11 1HD LYS 11 -10.608 4.457 -0.907
30 HE2 LYS 11 2HE LYS 11 -9.911 3.432 1.258
31 HE3 LYS 11 1HE LYS 11 -8.308 3.169 0.566
32 HZ1 LYS 11 3HZ LYS 11 -8.318 5.256 1.821
33 HZ2 LYS 11 1HZ LYS 11 -9.659 5.776 0.967
34 HZ3 LYS 11 2HZ LYS 11 -8.209 5.627 0.175
35 HA PRO 12 HA PRO 12 -8.005 -2.651 -4.760
36 HB2 PRO 12 2HB PRO 12 -5.893 -0.605 -5.124
37 HB3 PRO 12 1HB PRO 12 -6.581 -1.718 -6.304
38 HG2 PRO 12 2HG PRO 12 -7.353 0.831 -6.319
39 HG3 PRO 12 1HG PRO 12 -8.516 -0.474 -6.604
40 HD2 PRO 12 2HD PRO 12 -8.121 1.217 -4.191
41 HD3 PRO 12 1HD PRO 12 -9.614 0.507 -4.840
42 H LYS 13 H LYS 13 -6.411 -4.018 -4.376
43 HA LYS 13 HA LYS 13 -4.905 -3.572 -1.940
44 HB2 LYS 13 2HB LYS 13 -5.295 -6.077 -1.504
45 HB3 LYS 13 1HB LYS 13 -6.580 -4.936 -1.114
46 HG2 LYS 13 2HG LYS 13 -7.638 -6.770 -2.096
47 HG3 LYS 13 1HG LYS 13 -7.550 -5.585 -3.389
48 HD2 LYS 13 2HD LYS 13 -5.551 -6.741 -4.264
49 HD3 LYS 13 1HD LYS 13 -5.720 -7.952 -2.989
50 HE2 LYS 13 2HE LYS 13 -7.714 -7.348 -5.172
51 HE3 LYS 13 1HE LYS 13 -6.700 -8.783 -5.041
52 HZ1 LYS 13 3HZ LYS 13 -8.932 -9.250 -4.260
53 HZ2 LYS 13 1HZ LYS 13 -8.857 -8.001 -3.149
54 HZ3 LYS 13 2HZ LYS 13 -7.883 -9.347 -2.968
55 H CYS 14 H CYS 14 -3.055 -4.850 -1.573
56 HA CYS 14 HA CYS 14 -1.646 -5.546 -4.071
57 HB2 CYS 14 2HB CYS 14 0.298 -4.310 -3.166
58 HB3 CYS 14 1HB CYS 14 -1.114 -3.303 -3.402
59 H ARG 15 H ARG 15 0.325 -6.861 -3.698
60 HA ARG 15 HA ARG 15 0.222 -8.571 -1.284
61 HB2 ARG 15 2HB ARG 15 1.230 -9.145 -4.082
62 HB3 ARG 15 1HB ARG 15 1.486 -10.210 -2.718
63 HG2 ARG 15 2HG ARG 15 -0.932 -10.534 -2.530
64 HG3 ARG 15 1HG ARG 15 -1.176 -9.471 -3.923
65 HD2 ARG 15 2HD ARG 15 0.150 -10.962 -5.315
66 HD3 ARG 15 1HD ARG 15 0.481 -11.994 -3.930
67 HE ARG 15 HE ARG 15 -2.282 -11.727 -4.309
68 HH11 ARG 15 1HH1 ARG 15 0.534 -13.270 -5.802
69 HH12 ARG 15 2HH1 ARG 15 -0.344 -14.586 -6.440
70 HH21 ARG 15 1HH2 ARG 15 -3.494 -13.570 -5.213
71 HH22 ARG 15 2HH2 ARG 15 -2.660 -14.754 -6.102
72 H CYS 16 H CYS 16 1.613 -6.018 -1.483
73 HA CYS 16 HA CYS 16 4.333 -6.212 -2.148
74 HB2 CYS 16 2HB CYS 16 3.005 -4.385 -0.138
75 HB3 CYS 16 1HB CYS 16 4.613 -4.160 -0.826
76 H GLY 17 H GLY 17 6.170 -6.599 -0.915
77 HA2 GLY 17 2HA GLY 17 7.322 -7.122 1.105
78 HA3 GLY 17 1HA GLY 17 5.787 -7.610 1.817
79 H ILE 18 H ILE 18 4.939 -9.051 -0.464
80 HA ILE 18 HA ILE 18 6.435 -11.498 -0.079
81 HB ILE 18 HB ILE 18 3.976 -10.974 -1.780
82 HG12 ILE 18 2HG1 ILE 18 4.206 -11.948 1.075
83 HG13 ILE 18 1HG1 ILE 18 3.557 -10.413 0.548
84 HG21 ILE 18 1HG2 ILE 18 5.194 -13.008 -2.398
85 HG22 ILE 18 2HG2 ILE 18 3.657 -13.416 -1.634
86 HG23 ILE 18 3HG2 ILE 18 5.157 -13.547 -0.720
87 HD11 ILE 18 3HD1 ILE 18 1.730 -11.515 -0.580
88 HD12 ILE 18 1HD1 ILE 18 1.778 -11.960 1.126
89 HD13 ILE 18 2HD1 ILE 18 2.365 -13.088 -0.101
90 H SER 19 H SER 19 5.220 -9.523 -2.744
91 HA SER 19 HA SER 19 6.862 -10.622 -4.731
92 HB2 SER 19 2HB SER 19 5.484 -7.928 -4.609
93 HB3 SER 19 1HB SER 19 6.047 -8.750 -6.069
94 HG SER 19 HG SER 19 4.664 -10.507 -5.362
95 H GLY 20 H GLY 20 9.012 -10.544 -4.478
96 HA2 GLY 20 2HA GLY 20 11.008 -9.347 -4.940
97 HA3 GLY 20 1HA GLY 20 10.276 -7.906 -4.249
98 H SER 21 H SER 21 9.278 -9.820 -2.087
99 HA SER 21 HA SER 21 9.711 -10.217 0.027
100 HB2 SER 21 2HB SER 21 10.995 -12.102 -0.915
101 HB3 SER 21 1HB SER 21 12.438 -11.096 -0.976
102 HG SER 21 HG SER 21 11.165 -11.293 1.487
103 H SER 22 H SER 22 13.054 -9.113 -0.633
104 HA SER 22 HA SER 22 12.774 -7.404 1.673
105 HB2 SER 22 2HB SER 22 14.840 -8.797 1.348
106 HB3 SER 22 1HB SER 22 15.238 -7.789 -0.045
107 HG SER 22 HG SER 22 16.279 -6.781 1.534
108 H ASN 23 H ASN 23 11.401 -5.927 0.974
109 HA ASN 23 HA ASN 23 12.593 -3.593 -0.301
110 HB2 ASN 23 2HB ASN 23 11.318 -5.008 -2.109
111 HB3 ASN 23 1HB ASN 23 9.862 -4.596 -1.220
112 HD21 ASN 23 1HD2 ASN 23 9.174 -2.406 -1.241
113 HD22 ASN 23 2HD2 ASN 23 9.712 -1.298 -2.464
114 H THR 24 H THR 24 11.922 -4.638 2.222
115 HA THR 24 HA THR 24 9.355 -4.313 3.169
116 HB THR 24 HB THR 24 11.881 -4.217 4.805
117 HG1 THR 24 1HG THR 24 12.189 -6.306 4.305
118 HG21 THR 24 3HG2 THR 24 9.708 -3.958 5.975
119 HG22 THR 24 1HG2 THR 24 10.513 -5.471 6.394
120 HG23 THR 24 2HG2 THR 24 9.165 -5.473 5.256
121 H LEU 25 H LEU 25 11.980 -1.956 3.007
122 HA LEU 25 HA LEU 25 10.748 -0.188 4.897
123 HB2 LEU 25 2HB LEU 25 12.497 1.376 4.511
124 HB3 LEU 25 1HB LEU 25 13.211 -0.214 4.571
125 HG LEU 25 HG LEU 25 12.723 1.382 2.046
126 HD11 LEU 25 1HD1 LEU 25 14.394 2.429 3.413
127 HD12 LEU 25 2HD1 LEU 25 15.157 1.660 2.021
128 HD13 LEU 25 3HD1 LEU 25 15.239 0.894 3.609
129 HD21 LEU 25 3HD2 LEU 25 14.192 -0.254 0.967
130 HD22 LEU 25 1HD2 LEU 25 12.736 -1.022 1.598
131 HD23 LEU 25 2HD2 LEU 25 14.263 -1.184 2.467
132 H THR 26 H THR 26 10.487 -0.568 1.468
133 HA THR 26 HA THR 26 8.753 1.794 1.407
134 HB THR 26 HB THR 26 9.650 1.993 -1.026
135 HG1 THR 26 1HG THR 26 11.288 0.789 -1.510
136 HG21 THR 26 3HG2 THR 26 11.499 3.465 -0.263
137 HG22 THR 26 1HG2 THR 26 11.350 2.784 1.355
138 HG23 THR 26 2HG2 THR 26 10.022 3.719 0.666
139 H THR 27 H THR 27 8.055 -1.040 1.714
140 HA THR 27 HA THR 27 7.484 -2.534 -0.504
141 HB THR 27 HB THR 27 5.347 -2.977 1.085
142 HG1 THR 27 1HG THR 27 6.657 -2.728 3.256
143 HG21 THR 27 3HG2 THR 27 6.889 -4.692 0.491
144 HG22 THR 27 1HG2 THR 27 6.749 -4.673 2.238
145 HG23 THR 27 2HG2 THR 27 8.186 -3.971 1.460
146 H CYS 28 H CYS 28 5.113 -0.646 1.211
147 HA CYS 28 HA CYS 28 3.475 -0.593 -1.128
148 HB2 CYS 28 2HB CYS 28 2.911 0.076 1.729
149 HB3 CYS 28 1HB CYS 28 1.739 0.338 0.433
150 H ARG 29 H ARG 29 5.841 1.364 -0.083
151 HA ARG 29 HA ARG 29 4.345 3.861 -0.580
152 HB2 ARG 29 2HB ARG 29 5.949 3.363 1.471
153 HB3 ARG 29 1HB ARG 29 7.186 3.865 0.325
154 HG2 ARG 29 2HG ARG 29 5.801 5.952 -0.056
155 HG3 ARG 29 1HG ARG 29 4.854 5.467 1.345
156 HD2 ARG 29 2HD ARG 29 6.451 6.973 2.162
157 HD3 ARG 29 1HD ARG 29 7.064 5.372 2.603
158 HE ARG 29 HE ARG 29 8.026 6.235 0.073
159 HH11 ARG 29 1HH1 ARG 29 8.610 6.696 3.536
160 HH12 ARG 29 2HH1 ARG 29 10.243 7.136 3.327
161 HH21 ARG 29 1HH2 ARG 29 10.229 6.858 -0.190
162 HH22 ARG 29 2HH2 ARG 29 11.188 7.216 1.178
163 H ASN 30 H ASN 30 5.194 2.082 -2.787
164 HA ASN 30 HA ASN 30 6.721 4.116 -4.217
165 HB2 ASN 30 2HB ASN 30 8.203 2.541 -5.301
166 HB3 ASN 30 1HB ASN 30 8.295 2.241 -3.574
167 HD21 ASN 30 1HD2 ASN 30 7.433 0.317 -2.754
168 HD22 ASN 30 2HD2 ASN 30 7.005 -0.996 -3.774
169 H SER 31 H SER 31 6.683 3.398 -6.741
170 HA SER 31 HA SER 31 3.939 3.755 -7.352
171 HB2 SER 31 2HB SER 31 6.332 3.489 -9.169
172 HB3 SER 31 1HB SER 31 4.711 3.889 -9.713
173 HG SER 31 HG SER 31 6.253 5.374 -7.840
174 H ARG 32 H ARG 32 5.493 0.876 -6.806
175 HA ARG 32 HA ARG 32 4.000 -0.560 -8.849
176 HB2 ARG 32 2HB ARG 32 5.836 -1.617 -6.692
177 HB3 ARG 32 1HB ARG 32 5.092 -2.583 -7.960
178 HG2 ARG 32 2HG ARG 32 7.083 -0.361 -8.359
179 HG3 ARG 32 1HG ARG 32 7.411 -2.090 -8.492
180 HD2 ARG 32 2HD ARG 32 5.819 -2.253 -10.332
181 HD3 ARG 32 1HD ARG 32 5.478 -0.530 -10.199
182 HE ARG 32 HE ARG 32 8.184 -0.763 -10.537
183 HH11 ARG 32 1HH1 ARG 32 5.230 -1.480 -12.352
184 HH12 ARG 32 2HH1 ARG 32 5.946 -1.370 -13.886
185 HH21 ARG 32 1HH2 ARG 32 9.211 -0.602 -12.679
186 HH22 ARG 32 2HH2 ARG 32 8.278 -0.846 -14.072
187 H CYS 33 H CYS 33 3.437 0.647 -5.827
188 HA CYS 33 HA CYS 33 1.678 -1.518 -5.069
189 HB2 CYS 33 2HB CYS 33 3.128 -0.575 -3.336
190 HB3 CYS 33 1HB CYS 33 2.425 1.013 -3.597
191 HA PRO 34 HA PRO 34 -1.658 0.703 -7.157
192 HB2 PRO 34 2HB PRO 34 -3.629 -1.026 -6.370
193 HB3 PRO 34 1HB PRO 34 -2.523 -1.369 -7.713
194 HG2 PRO 34 2HG PRO 34 -2.383 -2.224 -4.851
195 HG3 PRO 34 1HG PRO 34 -2.171 -3.220 -6.308
196 HD2 PRO 34 2HD PRO 34 -0.086 -2.367 -4.930
197 HD3 PRO 34 1HD PRO 34 -0.031 -2.354 -6.706
198 H CYS 35 H CYS 35 -1.143 0.343 -3.908
199 HA CYS 35 HA CYS 35 -3.599 1.594 -3.143
200 HB2 CYS 35 2HB CYS 35 -1.233 0.808 -1.459
201 HB3 CYS 35 1HB CYS 35 -2.708 1.528 -0.819
202 H TYR 36 H TYR 36 -0.211 2.293 -2.499
203 HA TYR 36 HA TYR 36 -0.504 4.865 -1.529
204 HB2 TYR 36 2HB TYR 36 1.463 3.684 -1.091
205 HB3 TYR 36 1HB TYR 36 1.799 3.454 -2.797
206 HD1 TYR 36 2HD TYR 36 1.547 6.074 -0.181
207 HD2 TYR 36 1HD TYR 36 3.196 4.921 -3.917
208 HE1 TYR 36 2HE TYR 36 2.981 8.070 -0.162
209 HE2 TYR 36 1HE TYR 36 4.626 6.896 -3.920
210 HH TYR 36 HH TYR 36 4.591 9.131 -2.900
211 H LYS 37 H LYS 37 0.387 3.919 -4.846
212 HA LYS 37 HA LYS 37 0.764 6.623 -5.617
213 HB2 LYS 37 2HB LYS 37 1.822 4.565 -6.663
214 HB3 LYS 37 1HB LYS 37 0.290 4.309 -7.483
215 HG2 LYS 37 2HG LYS 37 0.488 6.498 -8.548
216 HG3 LYS 37 1HG LYS 37 2.029 6.748 -7.732
217 HD2 LYS 37 2HD LYS 37 2.872 4.690 -8.860
218 HD3 LYS 37 1HD LYS 37 1.365 4.640 -9.774
219 HE2 LYS 37 2HE LYS 37 3.034 5.707 -11.130
220 HE3 LYS 37 1HE LYS 37 1.860 6.914 -10.595
221 HZ1 LYS 37 3HZ LYS 37 4.521 6.465 -9.364
222 HZ2 LYS 37 1HZ LYS 37 3.431 7.680 -8.933
223 HZ3 LYS 37 2HZ LYS 37 4.147 7.688 -10.458
224 H SER 38 H SER 38 -1.997 4.598 -5.418
225 HA SER 38 HA SER 38 -3.560 6.433 -7.052
226 HB2 SER 38 2HB SER 38 -4.327 3.771 -5.840
227 HB3 SER 38 1HB SER 38 -5.258 4.699 -7.023
228 HG SER 38 HG SER 38 -2.862 4.441 -8.042
229 H TYR 39 H TYR 39 -2.471 6.395 -4.055
230 HA TYR 39 HA TYR 39 -2.981 7.304 -2.114
231 HB2 TYR 39 2HB TYR 39 -4.944 8.743 -3.869
232 HB3 TYR 39 1HB TYR 39 -4.871 9.080 -2.139
233 HD1 TYR 39 2HD TYR 39 -2.833 9.095 -5.266
234 HD2 TYR 39 1HD TYR 39 -3.160 10.416 -1.241
235 HE1 TYR 39 2HE TYR 39 -0.887 10.572 -5.591
236 HE2 TYR 39 1HE TYR 39 -1.229 11.880 -1.550
237 HH TYR 39 HH TYR 39 0.666 12.078 -2.919
238 H ASN 40 H ASN 40 -3.979 4.806 -2.548
239 HA ASN 40 HA ASN 40 -6.487 4.689 -1.004
240 HB2 ASN 40 2HB ASN 40 -4.983 2.587 -2.549
241 HB3 ASN 40 1HB ASN 40 -6.468 2.291 -1.657
242 HD21 ASN 40 1HD2 ASN 40 -5.659 2.137 -4.559
243 HD22 ASN 40 2HD2 ASN 40 -6.877 3.045 -5.364
244 H SER 41 H SER 41 -6.484 2.798 0.625
245 HA SER 41 HA SER 41 -3.996 2.854 2.127
246 HB2 SER 41 2HB SER 41 -5.585 2.307 4.006
247 HB3 SER 41 1HB SER 41 -5.789 3.910 3.292
248 HG SER 41 HG SER 41 -7.669 2.357 3.661
249 H CYS 42 H CYS 42 -3.802 0.807 3.516
250 HA CYS 42 HA CYS 42 -4.270 -1.420 1.736
251 HB2 CYS 42 2HB CYS 42 -2.355 -1.118 4.037
252 HB3 CYS 42 1HB CYS 42 -2.684 -2.677 3.287
253 H ALA 43 H ALA 43 -6.397 -1.221 2.257
254 HA ALA 43 HA ALA 43 -7.168 -2.646 4.718
255 HB1 ALA 43 1HB ALA 43 -8.870 -0.988 2.855
256 HB2 ALA 43 2HB ALA 43 -8.252 -0.467 4.423
257 HB3 ALA 43 3HB ALA 43 -9.429 -1.775 4.332
258 H GLY 44 H GLY 44 -7.087 -4.769 4.243
259 HA2 GLY 44 2HA GLY 44 -8.232 -6.666 3.385
260 HA3 GLY 44 1HA GLY 44 -8.810 -5.676 2.048
261 H CYS 45 H CYS 45 -5.590 -5.263 2.818
262 HA CYS 45 HA CYS 45 -4.792 -6.381 0.287
263 HB2 CYS 45 2HB CYS 45 -3.226 -4.887 2.366
264 HB3 CYS 45 1HB CYS 45 -2.567 -5.442 0.829
265 H HIS 46 H HIS 46 -2.674 -7.538 0.191
266 HA HIS 46 HA HIS 46 -2.662 -9.701 2.187
267 HB2 HIS 46 2HB HIS 46 -3.543 -10.108 -0.270
268 HB3 HIS 46 1HB HIS 46 -1.863 -9.963 -0.700
269 HD1 HIS 46 1HD HIS 46 -4.226 -12.308 1.066
270 HD2 HIS 46 2HD HIS 46 -0.236 -12.142 -0.069
271 HE1 HIS 46 1HE HIS 46 -3.340 -14.615 1.384
272 HE2 HIS 46 2HE HIS 46 -0.965 -14.521 0.563
273 H CYS 47 H CYS 47 -1.206 -7.183 2.106
274 HA CYS 47 HA CYS 47 1.445 -7.983 1.260
275 HB2 CYS 47 2HB CYS 47 2.046 -5.587 1.873
276 HB3 CYS 47 1HB CYS 47 1.088 -5.813 0.434
277 H VAL 48 H VAL 48 3.247 -7.759 2.550
278 HA VAL 48 HA VAL 48 2.739 -8.151 5.419
279 HB VAL 48 HB VAL 48 4.804 -9.528 3.661
280 HG11 VAL 48 1HG1 VAL 48 5.338 -10.885 5.618
281 HG12 VAL 48 2HG1 VAL 48 4.205 -9.946 6.585
282 HG13 VAL 48 3HG1 VAL 48 5.643 -9.173 5.916
283 HG21 VAL 48 3HG2 VAL 48 2.337 -10.683 4.975
284 HG22 VAL 48 1HG2 VAL 48 3.563 -11.600 4.100
285 HG23 VAL 48 2HG2 VAL 48 2.569 -10.421 3.247
286 H GLY 49 H GLY 49 3.765 -6.632 6.603
287 HA2 GLY 49 2HA GLY 49 5.336 -5.143 7.312
288 HA3 GLY 49 1HA GLY 49 6.441 -5.859 6.149
289 H CYS 50 H CYS 50 3.366 -4.178 5.629
290 HA CYS 50 HA CYS 50 4.667 -2.797 3.458
291 HB2 CYS 50 2HB CYS 50 2.586 -2.191 2.670
292 HB3 CYS 50 1HB CYS 50 2.336 -3.818 3.291
293 H LYS 51 H LYS 51 5.170 -0.732 3.415
294 HA LYS 51 HA LYS 51 4.390 0.900 5.724
295 HB2 LYS 51 2HB LYS 51 6.427 1.515 3.569
296 HB3 LYS 51 1HB LYS 51 6.168 2.430 5.042
297 HG2 LYS 51 2HG LYS 51 7.269 -0.366 4.842
298 HG3 LYS 51 1HG LYS 51 8.189 1.103 5.169
299 HD2 LYS 51 2HD LYS 51 6.881 1.405 7.250
300 HD3 LYS 51 1HD LYS 51 6.047 -0.114 6.912
301 HE2 LYS 51 2HE LYS 51 9.010 0.211 7.314
302 HE3 LYS 51 1HE LYS 51 7.883 -0.404 8.515
303 HZ1 LYS 51 3HZ LYS 51 7.410 -2.274 7.047
304 HZ2 LYS 51 1HZ LYS 51 9.049 -2.176 7.400
305 HZ3 LYS 51 2HZ LYS 51 8.509 -1.690 5.889
306 H ASN 52 H ASN 52 2.286 1.410 5.049
307 HA ASN 52 HA ASN 52 2.149 2.924 2.561
308 HB2 ASN 52 2HB ASN 52 0.575 0.938 2.770
309 HB3 ASN 52 1HB ASN 52 -0.181 1.760 4.125
310 HD21 ASN 52 1HD2 ASN 52 -1.446 1.001 1.687
311 HD22 ASN 52 2HD2 ASN 52 -1.994 2.465 0.933
312 HA PRO 53 HA PRO 53 1.941 6.381 5.426
313 HB2 PRO 53 2HB PRO 53 1.035 7.736 2.944
314 HB3 PRO 53 1HB PRO 53 2.316 8.199 4.071
315 HG2 PRO 53 2HG PRO 53 2.917 7.174 1.700
316 HG3 PRO 53 1HG PRO 53 3.845 6.728 3.142
317 HD2 PRO 53 2HD PRO 53 1.731 5.179 1.699
318 HD3 PRO 53 1HD PRO 53 3.249 4.619 2.439
319 H HIS 54 H HIS 54 -0.536 5.171 3.310
320 HA HIS 54 HA HIS 54 -2.557 6.848 4.523
321 HB2 HIS 54 2HB HIS 54 -2.792 4.722 2.420
322 HB3 HIS 54 1HB HIS 54 -4.178 5.553 3.106
323 HD1 HIS 54 1HD HIS 54 -4.753 7.829 2.149
324 HD2 HIS 54 2HD HIS 54 -1.116 6.347 0.797
325 HE1 HIS 54 1HE HIS 54 -4.099 9.307 0.289
326 HE2 HIS 54 2HE HIS 54 -1.703 8.672 -0.074
327 H LYS 55 H LYS 55 -2.144 5.997 6.616
328 HA LYS 55 HA LYS 55 -3.842 3.660 6.968
329 HB2 LYS 55 2HB LYS 55 -1.602 3.431 8.089
330 HB3 LYS 55 1HB LYS 55 -1.970 4.867 9.040
331 HG2 LYS 55 2HG LYS 55 -3.884 3.746 10.029
332 HG3 LYS 55 1HG LYS 55 -3.552 2.309 9.070
333 HD2 LYS 55 2HD LYS 55 -1.394 2.065 10.196
334 HD3 LYS 55 1HD LYS 55 -1.739 3.514 11.142
335 HE2 LYS 55 2HE LYS 55 -3.419 1.007 11.154
336 HE3 LYS 55 1HE LYS 55 -2.235 1.425 12.390
337 HZ1 LYS 55 3HZ LYS 55 -4.487 2.046 13.061
338 HZ2 LYS 55 1HZ LYS 55 -4.659 3.016 11.705
339 HZ3 LYS 55 2HZ LYS 55 -3.527 3.405 12.898
340 H GLU 56 H GLU 56 -5.437 4.937 6.395
341 HA GLU 56 HA GLU 56 -6.009 7.385 7.638
342 HB2 GLU 56 2HB GLU 56 -8.158 7.227 6.280
343 HB3 GLU 56 1HB GLU 56 -6.638 7.282 5.405
344 HG2 GLU 56 2HG GLU 56 -6.795 4.745 5.232
345 HG3 GLU 56 1HG GLU 56 -8.439 4.918 5.848
346 H ASP 57 H ASP 57 -6.234 7.223 9.701
347 HA ASP 57 HA ASP 57 -8.450 5.647 10.767
348 HB2 ASP 57 2HB ASP 57 -6.253 5.350 11.893
349 HB3 ASP 57 1HB ASP 57 -6.173 7.079 12.194
350 H TYR 58 H TYR 58 -9.758 6.829 12.414
351 HA TYR 58 HA TYR 58 -10.645 9.275 11.216
352 HB2 TYR 58 2HB TYR 58 -11.668 7.794 13.648
353 HB3 TYR 58 1HB TYR 58 -12.454 9.161 12.880
354 HD1 TYR 58 1HD TYR 58 -13.526 8.891 10.668
355 HD2 TYR 58 2HD TYR 58 -11.807 5.579 12.714
356 HE1 TYR 58 1HE TYR 58 -14.747 7.345 9.193
357 HE2 TYR 58 2HE TYR 58 -13.019 4.035 11.247
358 HH TYR 58 HH TYR 58 -14.470 4.995 8.397
359 H VAL 59 H VAL 59 -8.920 10.593 11.590
360 HA VAL 59 HA VAL 59 -8.677 11.503 14.328
361 HB VAL 59 HB VAL 59 -6.340 12.304 13.770
362 HG11 VAL 59 1HG1 VAL 59 -5.297 10.104 13.996
363 HG12 VAL 59 2HG1 VAL 59 -6.819 9.339 13.545
364 HG13 VAL 59 3HG1 VAL 59 -6.704 10.264 15.043
365 HG21 VAL 59 3HG2 VAL 59 -5.171 11.254 11.860
366 HG22 VAL 59 1HG2 VAL 59 -6.485 12.308 11.329
367 HG23 VAL 59 2HG2 VAL 59 -6.699 10.556 11.323
Start of MODEL 8
1 H1 SER 8 1HT SER 8 -19.649 -0.784 -0.447
2 H2 SER 8 2HT SER 8 -19.921 0.756 -1.060
3 H3 SER 8 3HT SER 8 -19.881 0.499 0.636
4 HA SER 8 HA SER 8 -17.891 1.525 -0.107
5 HB2 SER 8 2HB SER 8 -17.519 -1.382 0.638
6 HB3 SER 8 1HB SER 8 -16.415 -0.047 0.984
7 HG SER 8 HG SER 8 -17.496 -0.083 2.788
8 HA PRO 9 HA PRO 9 -17.023 0.255 -4.301
9 HB2 PRO 9 2HB PRO 9 -14.997 1.969 -4.795
10 HB3 PRO 9 1HB PRO 9 -16.688 2.485 -4.742
11 HG2 PRO 9 2HG PRO 9 -14.582 2.698 -2.632
12 HG3 PRO 9 1HG PRO 9 -15.764 3.909 -3.159
13 HD2 PRO 9 2HD PRO 9 -16.111 2.400 -0.940
14 HD3 PRO 9 1HD PRO 9 -17.474 2.953 -1.934
15 HA PRO 10 HA PRO 10 -13.589 -2.612 -3.583
16 HB2 PRO 10 2HB PRO 10 -13.845 -2.864 -6.545
17 HB3 PRO 10 1HB PRO 10 -13.846 -4.140 -5.322
18 HG2 PRO 10 2HG PRO 10 -16.105 -3.468 -6.535
19 HG3 PRO 10 1HG PRO 10 -16.086 -3.809 -4.794
20 HD2 PRO 10 2HD PRO 10 -16.154 -1.161 -6.195
21 HD3 PRO 10 1HD PRO 10 -17.051 -1.713 -4.761
22 H LYS 11 H LYS 11 -11.518 -1.974 -3.552
23 HA LYS 11 HA LYS 11 -10.596 -0.020 -5.515
24 HB2 LYS 11 2HB LYS 11 -9.595 1.307 -3.651
25 HB3 LYS 11 1HB LYS 11 -11.347 1.247 -3.591
26 HG2 LYS 11 2HG LYS 11 -11.070 -0.622 -1.893
27 HG3 LYS 11 1HG LYS 11 -9.369 -0.146 -1.815
28 HD2 LYS 11 2HD LYS 11 -10.053 2.146 -1.254
29 HD3 LYS 11 1HD LYS 11 -11.743 1.649 -1.306
30 HE2 LYS 11 2HE LYS 11 -11.134 1.674 0.966
31 HE3 LYS 11 1HE LYS 11 -11.173 -0.021 0.497
32 HZ1 LYS 11 3HZ LYS 11 -8.696 0.109 0.261
33 HZ2 LYS 11 1HZ LYS 11 -9.250 0.454 1.832
34 HZ3 LYS 11 2HZ LYS 11 -8.792 1.702 0.833
35 HA PRO 12 HA PRO 12 -6.889 -2.286 -5.985
36 HB2 PRO 12 2HB PRO 12 -5.014 -0.383 -5.036
37 HB3 PRO 12 1HB PRO 12 -5.413 -0.818 -6.697
38 HG2 PRO 12 2HG PRO 12 -6.324 1.481 -5.082
39 HG3 PRO 12 1HG PRO 12 -6.290 1.300 -6.839
40 HD2 PRO 12 2HD PRO 12 -8.580 1.273 -5.387
41 HD3 PRO 12 1HD PRO 12 -8.392 0.376 -6.901
42 H LYS 13 H LYS 13 -5.973 -3.725 -4.948
43 HA LYS 13 HA LYS 13 -5.094 -3.449 -2.185
44 HB2 LYS 13 2HB LYS 13 -6.757 -5.744 -3.288
45 HB3 LYS 13 1HB LYS 13 -5.972 -5.740 -1.709
46 HG2 LYS 13 2HG LYS 13 -7.344 -3.889 -0.988
47 HG3 LYS 13 1HG LYS 13 -8.080 -3.775 -2.582
48 HD2 LYS 13 2HD LYS 13 -9.036 -6.013 -2.292
49 HD3 LYS 13 1HD LYS 13 -8.286 -6.120 -0.696
50 HE2 LYS 13 2HE LYS 13 -9.563 -4.189 0.053
51 HE3 LYS 13 1HE LYS 13 -10.298 -4.041 -1.542
52 HZ1 LYS 13 3HZ LYS 13 -10.619 -6.347 0.302
53 HZ2 LYS 13 1HZ LYS 13 -11.329 -6.203 -1.214
54 HZ3 LYS 13 2HZ LYS 13 -11.764 -5.157 -0.004
55 H CYS 14 H CYS 14 -3.402 -5.059 -1.690
56 HA CYS 14 HA CYS 14 -2.076 -6.009 -4.116
57 HB2 CYS 14 2HB CYS 14 0.020 -4.929 -3.421
58 HB3 CYS 14 1HB CYS 14 -1.259 -3.764 -3.690
59 H ARG 15 H ARG 15 -0.081 -7.237 -3.523
60 HA ARG 15 HA ARG 15 -0.354 -8.762 -1.013
61 HB2 ARG 15 2HB ARG 15 0.283 -9.790 -3.791
62 HB3 ARG 15 1HB ARG 15 0.364 -10.754 -2.326
63 HG2 ARG 15 2HG ARG 15 -1.991 -10.570 -1.996
64 HG3 ARG 15 1HG ARG 15 -2.125 -9.406 -3.315
65 HD2 ARG 15 2HD ARG 15 -1.398 -11.123 -4.891
66 HD3 ARG 15 1HD ARG 15 -1.266 -12.285 -3.573
67 HE ARG 15 HE ARG 15 -3.821 -11.233 -3.518
68 HH11 ARG 15 1HH1 ARG 15 -1.876 -13.179 -5.729
69 HH12 ARG 15 2HH1 ARG 15 -3.173 -14.117 -6.304
70 HH21 ARG 15 1HH2 ARG 15 -5.649 -12.472 -4.373
71 HH22 ARG 15 2HH2 ARG 15 -5.373 -13.697 -5.513
72 H CYS 16 H CYS 16 1.278 -6.473 -1.800
73 HA CYS 16 HA CYS 16 3.945 -7.035 -2.468
74 HB2 CYS 16 2HB CYS 16 2.958 -4.874 -0.583
75 HB3 CYS 16 1HB CYS 16 4.508 -4.920 -1.411
76 H GLY 17 H GLY 17 5.130 -8.559 -1.399
77 HA2 GLY 17 2HA GLY 17 6.424 -8.618 0.774
78 HA3 GLY 17 1HA GLY 17 4.825 -8.702 1.515
79 H ILE 18 H ILE 18 3.571 -10.325 -0.418
80 HA ILE 18 HA ILE 18 4.545 -12.920 0.299
81 HB ILE 18 HB ILE 18 2.496 -12.089 -1.778
82 HG12 ILE 18 2HG1 ILE 18 1.996 -11.184 0.452
83 HG13 ILE 18 1HG1 ILE 18 0.790 -12.332 -0.082
84 HG21 ILE 18 1HG2 ILE 18 2.860 -14.727 -0.353
85 HG22 ILE 18 2HG2 ILE 18 3.234 -14.398 -2.045
86 HG23 ILE 18 3HG2 ILE 18 1.562 -14.341 -1.482
87 HD11 ILE 18 3HD1 ILE 18 1.285 -12.618 2.281
88 HD12 ILE 18 1HD1 ILE 18 3.002 -12.812 1.924
89 HD13 ILE 18 2HD1 ILE 18 1.850 -14.034 1.390
90 H SER 19 H SER 19 4.092 -11.123 -2.718
91 HA SER 19 HA SER 19 6.624 -11.842 -3.779
92 HB2 SER 19 2HB SER 19 4.076 -12.820 -5.135
93 HB3 SER 19 1HB SER 19 5.692 -12.878 -5.841
94 HG SER 19 HG SER 19 5.566 -13.971 -3.361
95 H GLY 20 H GLY 20 6.972 -10.542 -5.777
96 HA2 GLY 20 2HA GLY 20 6.614 -8.695 -7.130
97 HA3 GLY 20 1HA GLY 20 4.979 -8.568 -6.487
98 H SER 21 H SER 21 7.525 -8.907 -4.272
99 HA SER 21 HA SER 21 6.886 -6.562 -2.875
100 HB2 SER 21 2HB SER 21 9.302 -8.348 -2.600
101 HB3 SER 21 1HB SER 21 8.583 -7.317 -1.364
102 HG SER 21 HG SER 21 7.983 -9.448 -1.122
103 H SER 22 H SER 22 7.469 -4.601 -3.543
104 HA SER 22 HA SER 22 10.035 -4.236 -4.900
105 HB2 SER 22 2HB SER 22 7.638 -2.389 -4.858
106 HB3 SER 22 1HB SER 22 9.029 -2.314 -5.943
107 HG SER 22 HG SER 22 7.503 -4.631 -5.813
108 H ASN 23 H ASN 23 11.485 -3.634 -3.401
109 HA ASN 23 HA ASN 23 12.566 -2.501 -1.766
110 HB2 ASN 23 2HB ASN 23 9.992 -0.933 -1.326
111 HB3 ASN 23 1HB ASN 23 11.490 -0.620 -0.479
112 HD21 ASN 23 1HD2 ASN 23 9.715 -0.247 -3.376
113 HD22 ASN 23 2HD2 ASN 23 10.806 0.809 -4.188
114 H THR 24 H THR 24 12.538 -2.368 0.702
115 HA THR 24 HA THR 24 10.767 -4.498 1.618
116 HB THR 24 HB THR 24 13.101 -5.217 1.682
117 HG1 THR 24 1HG THR 24 11.508 -5.738 3.429
118 HG21 THR 24 3HG2 THR 24 14.196 -3.067 1.981
119 HG22 THR 24 1HG2 THR 24 14.718 -4.188 3.239
120 HG23 THR 24 2HG2 THR 24 13.535 -2.933 3.610
121 H LEU 25 H LEU 25 11.849 -1.288 2.323
122 HA LEU 25 HA LEU 25 10.033 -1.219 4.633
123 HB2 LEU 25 2HB LEU 25 12.147 0.755 3.744
124 HB3 LEU 25 1HB LEU 25 11.080 0.989 5.108
125 HG LEU 25 HG LEU 25 13.144 -1.215 4.906
126 HD11 LEU 25 1HD1 LEU 25 14.182 0.990 5.050
127 HD12 LEU 25 2HD1 LEU 25 14.383 0.086 6.551
128 HD13 LEU 25 3HD1 LEU 25 13.182 1.372 6.452
129 HD21 LEU 25 3HD2 LEU 25 11.218 -1.784 6.327
130 HD22 LEU 25 1HD2 LEU 25 11.432 -0.279 7.213
131 HD23 LEU 25 2HD2 LEU 25 12.676 -1.525 7.287
132 H THR 26 H THR 26 10.899 0.403 1.652
133 HA THR 26 HA THR 26 8.590 2.094 1.722
134 HB THR 26 HB THR 26 10.580 1.719 -0.543
135 HG1 THR 26 1HG THR 26 11.715 3.450 0.583
136 HG21 THR 26 3HG2 THR 26 10.119 4.085 -0.983
137 HG22 THR 26 1HG2 THR 26 9.058 4.158 0.423
138 HG23 THR 26 2HG2 THR 26 8.607 3.177 -0.966
139 H THR 27 H THR 27 8.278 -0.937 1.515
140 HA THR 27 HA THR 27 7.860 -2.054 -0.934
141 HB THR 27 HB THR 27 6.021 -2.624 1.349
142 HG1 THR 27 1HG THR 27 7.667 -3.265 2.580
143 HG21 THR 27 3HG2 THR 27 6.526 -4.929 0.741
144 HG22 THR 27 1HG2 THR 27 7.760 -4.382 -0.404
145 HG23 THR 27 2HG2 THR 27 6.064 -4.025 -0.700
146 H CYS 28 H CYS 28 5.228 -0.942 1.154
147 HA CYS 28 HA CYS 28 3.538 -0.608 -1.145
148 HB2 CYS 28 2HB CYS 28 2.956 -0.647 1.795
149 HB3 CYS 28 1HB CYS 28 1.721 -0.198 0.628
150 H ARG 29 H ARG 29 5.682 1.224 0.286
151 HA ARG 29 HA ARG 29 4.209 3.732 0.345
152 HB2 ARG 29 2HB ARG 29 5.790 3.148 2.177
153 HB3 ARG 29 1HB ARG 29 7.087 3.118 0.995
154 HG2 ARG 29 2HG ARG 29 6.788 5.506 0.598
155 HG3 ARG 29 1HG ARG 29 5.477 5.538 1.771
156 HD2 ARG 29 2HD ARG 29 7.013 4.892 3.537
157 HD3 ARG 29 1HD ARG 29 8.337 4.769 2.380
158 HE ARG 29 HE ARG 29 6.991 7.219 3.251
159 HH11 ARG 29 1HH1 ARG 29 9.746 5.657 1.636
160 HH12 ARG 29 2HH1 ARG 29 10.653 7.076 1.499
161 HH21 ARG 29 1HH2 ARG 29 8.315 9.213 3.051
162 HH22 ARG 29 2HH2 ARG 29 9.843 9.099 2.303
163 H ASN 30 H ASN 30 5.600 2.008 -2.049
164 HA ASN 30 HA ASN 30 6.561 4.466 -3.344
165 HB2 ASN 30 2HB ASN 30 8.149 3.275 -4.658
166 HB3 ASN 30 1HB ASN 30 8.356 2.704 -3.012
167 HD21 ASN 30 1HD2 ASN 30 7.689 0.602 -2.522
168 HD22 ASN 30 2HD2 ASN 30 7.404 -0.576 -3.735
169 H SER 31 H SER 31 6.360 4.472 -5.746
170 HA SER 31 HA SER 31 3.630 4.340 -6.316
171 HB2 SER 31 2HB SER 31 5.929 4.860 -8.171
172 HB3 SER 31 1HB SER 31 4.246 5.347 -8.406
173 HG SER 31 HG SER 31 4.610 7.018 -7.199
174 H ARG 32 H ARG 32 5.826 1.759 -6.506
175 HA ARG 32 HA ARG 32 4.551 0.576 -8.827
176 HB2 ARG 32 2HB ARG 32 6.563 -0.665 -6.919
177 HB3 ARG 32 1HB ARG 32 6.038 -1.350 -8.450
178 HG2 ARG 32 2HG ARG 32 7.048 0.510 -9.652
179 HG3 ARG 32 1HG ARG 32 7.528 1.249 -8.127
180 HD2 ARG 32 2HD ARG 32 8.900 -0.789 -7.654
181 HD3 ARG 32 1HD ARG 32 8.500 -1.368 -9.272
182 HE ARG 32 HE ARG 32 9.554 1.264 -9.311
183 HH11 ARG 32 1HH1 ARG 32 10.586 -2.147 -9.155
184 HH12 ARG 32 2HH1 ARG 32 12.142 -1.827 -9.767
185 HH21 ARG 32 1HH2 ARG 32 11.734 1.653 -10.129
186 HH22 ARG 32 2HH2 ARG 32 12.797 0.326 -10.317
187 H CYS 33 H CYS 33 3.764 1.010 -5.679
188 HA CYS 33 HA CYS 33 2.242 -1.459 -5.457
189 HB2 CYS 33 2HB CYS 33 3.394 -0.617 -3.429
190 HB3 CYS 33 1HB CYS 33 2.500 0.891 -3.547
191 HA PRO 34 HA PRO 34 -1.109 0.564 -7.562
192 HB2 PRO 34 2HB PRO 34 -3.145 -1.095 -6.688
193 HB3 PRO 34 1HB PRO 34 -2.080 -1.448 -8.048
194 HG2 PRO 34 2HG PRO 34 -1.936 -2.411 -5.230
195 HG3 PRO 34 1HG PRO 34 -1.613 -3.293 -6.733
196 HD2 PRO 34 2HD PRO 34 0.370 -2.385 -5.165
197 HD3 PRO 34 1HD PRO 34 0.525 -2.407 -6.932
198 H CYS 35 H CYS 35 -1.379 -0.242 -4.181
199 HA CYS 35 HA CYS 35 -3.686 1.277 -3.576
200 HB2 CYS 35 2HB CYS 35 -1.406 0.440 -1.814
201 HB3 CYS 35 1HB CYS 35 -2.950 1.060 -1.242
202 H TYR 36 H TYR 36 -0.305 1.958 -2.887
203 HA TYR 36 HA TYR 36 -0.489 4.493 -1.852
204 HB2 TYR 36 2HB TYR 36 1.566 3.224 -1.776
205 HB3 TYR 36 1HB TYR 36 1.703 3.268 -3.527
206 HD1 TYR 36 1HD TYR 36 1.909 5.326 -0.466
207 HD2 TYR 36 2HD TYR 36 2.699 5.115 -4.628
208 HE1 TYR 36 1HE TYR 36 3.264 7.376 -0.307
209 HE2 TYR 36 2HE TYR 36 4.048 7.148 -4.499
210 HH TYR 36 HH TYR 36 4.293 9.052 -3.101
211 H LYS 37 H LYS 37 0.007 3.591 -5.227
212 HA LYS 37 HA LYS 37 0.292 6.210 -6.216
213 HB2 LYS 37 2HB LYS 37 0.783 3.760 -7.220
214 HB3 LYS 37 1HB LYS 37 -0.762 4.065 -7.994
215 HG2 LYS 37 2HG LYS 37 1.685 5.821 -8.218
216 HG3 LYS 37 1HG LYS 37 1.160 4.653 -9.425
217 HD2 LYS 37 2HD LYS 37 -0.905 5.924 -9.754
218 HD3 LYS 37 1HD LYS 37 -0.402 7.065 -8.507
219 HE2 LYS 37 2HE LYS 37 1.569 7.646 -9.872
220 HE3 LYS 37 1HE LYS 37 1.005 6.547 -11.126
221 HZ1 LYS 37 3HZ LYS 37 -0.468 8.916 -10.133
222 HZ2 LYS 37 1HZ LYS 37 -0.976 7.937 -11.399
223 HZ3 LYS 37 2HZ LYS 37 0.409 8.893 -11.541
224 H SER 38 H SER 38 -2.541 4.093 -5.861
225 HA SER 38 HA SER 38 -4.257 6.026 -7.136
226 HB2 SER 38 2HB SER 38 -4.883 3.389 -5.813
227 HB3 SER 38 1HB SER 38 -6.011 4.348 -6.770
228 HG SER 38 HG SER 38 -5.078 3.747 -8.525
229 H TYR 39 H TYR 39 -2.898 6.143 -4.239
230 HA TYR 39 HA TYR 39 -3.246 7.367 -2.378
231 HB2 TYR 39 2HB TYR 39 -5.792 8.258 -3.754
232 HB3 TYR 39 1HB TYR 39 -5.205 8.934 -2.239
233 HD1 TYR 39 2HD TYR 39 -3.105 10.218 -2.201
234 HD2 TYR 39 1HD TYR 39 -4.819 8.886 -5.848
235 HE1 TYR 39 2HE TYR 39 -1.677 11.779 -3.433
236 HE2 TYR 39 1HE TYR 39 -3.393 10.446 -7.098
237 HH TYR 39 HH TYR 39 -0.740 11.912 -5.673
238 H ASN 40 H ASN 40 -4.226 4.627 -2.631
239 HA ASN 40 HA ASN 40 -6.306 4.655 -0.570
240 HB2 ASN 40 2HB ASN 40 -5.504 2.464 -2.500
241 HB3 ASN 40 1HB ASN 40 -6.561 2.188 -1.124
242 HD21 ASN 40 1HD2 ASN 40 -6.295 3.520 -4.286
243 HD22 ASN 40 2HD2 ASN 40 -7.973 3.905 -4.466
244 H SER 41 H SER 41 -6.134 2.988 1.039
245 HA SER 41 HA SER 41 -3.378 2.848 1.997
246 HB2 SER 41 2HB SER 41 -4.449 2.438 4.206
247 HB3 SER 41 1HB SER 41 -4.917 3.975 3.480
248 HG SER 41 HG SER 41 -6.815 2.645 2.672
249 H CYS 42 H CYS 42 -2.983 0.802 3.354
250 HA CYS 42 HA CYS 42 -3.957 -1.372 1.737
251 HB2 CYS 42 2HB CYS 42 -1.512 -1.209 3.477
252 HB3 CYS 42 1HB CYS 42 -2.099 -2.718 2.766
253 H ALA 43 H ALA 43 -5.845 -1.096 2.677
254 HA ALA 43 HA ALA 43 -6.166 -2.601 5.174
255 HB1 ALA 43 1HB ALA 43 -7.012 -0.300 5.338
256 HB2 ALA 43 2HB ALA 43 -8.339 -1.460 5.379
257 HB3 ALA 43 3HB ALA 43 -8.000 -0.562 3.899
258 H GLY 44 H GLY 44 -6.619 -4.621 4.600
259 HA2 GLY 44 2HA GLY 44 -8.199 -6.207 3.782
260 HA3 GLY 44 1HA GLY 44 -8.679 -5.044 2.552
261 H CYS 45 H CYS 45 -5.365 -5.231 3.037
262 HA CYS 45 HA CYS 45 -4.982 -6.550 0.452
263 HB2 CYS 45 2HB CYS 45 -3.067 -4.996 2.199
264 HB3 CYS 45 1HB CYS 45 -2.680 -5.686 0.631
265 H HIS 46 H HIS 46 -2.968 -7.933 0.370
266 HA HIS 46 HA HIS 46 -2.560 -9.347 2.891
267 HB2 HIS 46 2HB HIS 46 -2.765 -10.531 0.112
268 HB3 HIS 46 1HB HIS 46 -1.985 -11.392 1.431
269 HD1 HIS 46 1HD HIS 46 -3.543 -12.286 3.365
270 HD2 HIS 46 2HD HIS 46 -5.550 -10.442 0.221
271 HE1 HIS 46 1HE HIS 46 -5.943 -12.841 3.682
272 HE2 HIS 46 2HE HIS 46 -7.115 -11.852 1.697
273 H CYS 47 H CYS 47 -1.243 -7.196 2.377
274 HA CYS 47 HA CYS 47 1.302 -7.929 1.204
275 HB2 CYS 47 2HB CYS 47 1.869 -5.497 1.585
276 HB3 CYS 47 1HB CYS 47 0.585 -5.778 0.431
277 H VAL 48 H VAL 48 3.246 -7.610 2.337
278 HA VAL 48 HA VAL 48 3.063 -7.756 5.259
279 HB VAL 48 HB VAL 48 4.818 -9.540 3.510
280 HG11 VAL 48 1HG1 VAL 48 5.412 -10.685 5.592
281 HG12 VAL 48 2HG1 VAL 48 4.463 -9.508 6.503
282 HG13 VAL 48 3HG1 VAL 48 5.893 -8.988 5.612
283 HG21 VAL 48 3HG2 VAL 48 2.489 -10.271 3.405
284 HG22 VAL 48 1HG2 VAL 48 2.404 -10.287 5.165
285 HG23 VAL 48 2HG2 VAL 48 3.461 -11.423 4.327
286 H GLY 49 H GLY 49 4.552 -6.466 6.200
287 HA2 GLY 49 2HA GLY 49 6.391 -5.063 6.435
288 HA3 GLY 49 1HA GLY 49 6.964 -5.607 4.853
289 H CYS 50 H CYS 50 3.954 -4.137 5.925
290 HA CYS 50 HA CYS 50 4.047 -2.447 3.585
291 HB2 CYS 50 2HB CYS 50 2.092 -3.743 3.664
292 HB3 CYS 50 1HB CYS 50 1.820 -3.355 5.360
293 H LYS 51 H LYS 51 5.007 -0.604 4.037
294 HA LYS 51 HA LYS 51 3.773 0.923 6.188
295 HB2 LYS 51 2HB LYS 51 6.382 1.451 4.722
296 HB3 LYS 51 1HB LYS 51 5.678 2.477 5.968
297 HG2 LYS 51 2HG LYS 51 5.915 0.619 7.577
298 HG3 LYS 51 1HG LYS 51 6.718 -0.325 6.320
299 HD2 LYS 51 2HD LYS 51 8.388 0.687 7.754
300 HD3 LYS 51 1HD LYS 51 8.452 1.443 6.163
301 HE2 LYS 51 2HE LYS 51 7.189 3.358 6.992
302 HE3 LYS 51 1HE LYS 51 7.025 2.590 8.571
303 HZ1 LYS 51 3HZ LYS 51 9.545 3.493 7.295
304 HZ2 LYS 51 1HZ LYS 51 9.442 2.706 8.791
305 HZ3 LYS 51 2HZ LYS 51 8.759 4.227 8.583
306 H ASN 52 H ASN 52 1.982 1.500 5.097
307 HA ASN 52 HA ASN 52 2.357 2.940 2.558
308 HB2 ASN 52 2HB ASN 52 0.672 1.076 2.604
309 HB3 ASN 52 1HB ASN 52 -0.221 1.968 3.827
310 HD21 ASN 52 1HD2 ASN 52 -1.187 1.117 1.298
311 HD22 ASN 52 2HD2 ASN 52 -1.652 2.542 0.425
312 HA PRO 53 HA PRO 53 2.036 6.600 5.218
313 HB2 PRO 53 2HB PRO 53 1.908 7.926 2.576
314 HB3 PRO 53 1HB PRO 53 2.991 8.233 3.940
315 HG2 PRO 53 2HG PRO 53 3.870 7.008 1.763
316 HG3 PRO 53 1HG PRO 53 4.402 6.502 3.377
317 HD2 PRO 53 2HD PRO 53 2.396 5.220 1.561
318 HD3 PRO 53 1HD PRO 53 3.640 4.479 2.599
319 H HIS 54 H HIS 54 -0.170 5.477 2.866
320 HA HIS 54 HA HIS 54 -2.088 7.598 3.451
321 HB2 HIS 54 2HB HIS 54 -2.386 5.248 1.556
322 HB3 HIS 54 1HB HIS 54 -3.514 6.580 1.736
323 HD1 HIS 54 1HD HIS 54 -2.809 8.876 0.619
324 HD2 HIS 54 2HD HIS 54 -0.196 5.724 0.022
325 HE1 HIS 54 1HE HIS 54 -1.320 9.604 -1.231
326 HE2 HIS 54 2HE HIS 54 0.083 7.647 -1.758
327 H LYS 55 H LYS 55 -3.797 7.239 4.638
328 HA LYS 55 HA LYS 55 -4.461 4.547 5.496
329 HB2 LYS 55 2HB LYS 55 -4.006 6.882 7.348
330 HB3 LYS 55 1HB LYS 55 -4.954 5.485 7.801
331 HG2 LYS 55 2HG LYS 55 -2.938 4.080 7.461
332 HG3 LYS 55 1HG LYS 55 -2.018 5.559 7.152
333 HD2 LYS 55 2HD LYS 55 -2.600 6.413 9.351
334 HD3 LYS 55 1HD LYS 55 -3.597 4.996 9.656
335 HE2 LYS 55 2HE LYS 55 -1.463 4.824 10.789
336 HE3 LYS 55 1HE LYS 55 -1.617 3.577 9.556
337 HZ1 LYS 55 3HZ LYS 55 -0.186 4.768 8.133
338 HZ2 LYS 55 1HZ LYS 55 0.563 4.669 9.623
339 HZ3 LYS 55 2HZ LYS 55 -0.141 6.126 9.132
340 H GLU 56 H GLU 56 -6.470 4.300 4.867
341 HA GLU 56 HA GLU 56 -8.188 6.580 4.679
342 HB2 GLU 56 2HB GLU 56 -8.611 3.641 4.159
343 HB3 GLU 56 1HB GLU 56 -9.822 4.893 3.890
344 HG2 GLU 56 2HG GLU 56 -8.563 5.885 2.173
345 HG3 GLU 56 1HG GLU 56 -7.127 4.945 2.582
346 H ASP 57 H ASP 57 -8.209 7.196 6.707
347 HA ASP 57 HA ASP 57 -8.726 5.556 8.966
348 HB2 ASP 57 2HB ASP 57 -7.514 7.820 8.905
349 HB3 ASP 57 1HB ASP 57 -9.159 8.443 8.666
350 H TYR 58 H TYR 58 -10.506 4.546 8.498
351 HA TYR 58 HA TYR 58 -12.942 5.983 7.844
352 HB2 TYR 58 2HB TYR 58 -12.333 3.953 6.550
353 HB3 TYR 58 1HB TYR 58 -12.478 2.998 8.016
354 HD1 TYR 58 1HD TYR 58 -14.379 5.106 5.650
355 HD2 TYR 58 2HD TYR 58 -14.577 2.179 8.715
356 HE1 TYR 58 1HE TYR 58 -16.766 4.787 5.180
357 HE2 TYR 58 2HE TYR 58 -16.955 1.850 8.251
358 HH TYR 58 HH TYR 58 -18.803 3.084 7.293
359 H VAL 59 H VAL 59 -13.974 6.793 9.474
360 HA VAL 59 HA VAL 59 -13.992 5.377 11.976
361 HB VAL 59 HB VAL 59 -13.340 7.708 12.191
362 HG11 VAL 59 1HG1 VAL 59 -14.812 9.590 11.674
363 HG12 VAL 59 2HG1 VAL 59 -15.960 8.478 10.932
364 HG13 VAL 59 3HG1 VAL 59 -14.351 8.684 10.231
365 HG21 VAL 59 3HG2 VAL 59 -16.114 7.273 13.274
366 HG22 VAL 59 1HG2 VAL 59 -14.988 8.508 13.831
367 HG23 VAL 59 2HG2 VAL 59 -14.602 6.796 14.038
Start of MODEL 9
1 H1 SER 8 1HT SER 8 -22.027 -0.614 -4.855
2 H2 SER 8 2HT SER 8 -20.568 -1.173 -5.520
3 H3 SER 8 3HT SER 8 -21.050 0.424 -5.771
4 HA SER 8 HA SER 8 -20.790 0.916 -3.474
5 HB2 SER 8 2HB SER 8 -19.818 -1.953 -3.258
6 HB3 SER 8 1HB SER 8 -19.977 -0.789 -1.941
7 HG SER 8 HG SER 8 -22.240 -0.769 -2.349
8 HA PRO 9 HA PRO 9 -16.644 1.639 -4.971
9 HB2 PRO 9 2HB PRO 9 -15.672 3.237 -3.035
10 HB3 PRO 9 1HB PRO 9 -16.950 3.759 -4.133
11 HG2 PRO 9 2HG PRO 9 -17.135 2.924 -1.288
12 HG3 PRO 9 1HG PRO 9 -18.097 4.114 -2.175
13 HD2 PRO 9 2HD PRO 9 -18.850 1.469 -1.576
14 HD3 PRO 9 1HD PRO 9 -19.650 2.555 -2.728
15 HA PRO 10 HA PRO 10 -14.343 -1.402 -2.476
16 HB2 PRO 10 2HB PRO 10 -13.205 -2.732 -4.502
17 HB3 PRO 10 1HB PRO 10 -14.904 -2.977 -4.082
18 HG2 PRO 10 2HG PRO 10 -13.721 -1.505 -6.370
19 HG3 PRO 10 1HG PRO 10 -15.271 -2.346 -6.255
20 HD2 PRO 10 2HD PRO 10 -14.805 0.448 -5.998
21 HD3 PRO 10 1HD PRO 10 -16.328 -0.416 -5.721
22 H LYS 11 H LYS 11 -11.960 -1.873 -2.329
23 HA LYS 11 HA LYS 11 -10.377 0.382 -3.363
24 HB2 LYS 11 2HB LYS 11 -9.845 -1.264 -0.897
25 HB3 LYS 11 1HB LYS 11 -8.881 0.093 -1.449
26 HG2 LYS 11 2HG LYS 11 -10.877 1.555 -1.058
27 HG3 LYS 11 1HG LYS 11 -11.676 0.158 -0.326
28 HD2 LYS 11 2HD LYS 11 -9.129 1.499 0.607
29 HD3 LYS 11 1HD LYS 11 -10.686 1.494 1.431
30 HE2 LYS 11 2HE LYS 11 -10.506 -0.946 1.730
31 HE3 LYS 11 1HE LYS 11 -8.963 -0.926 0.893
32 HZ1 LYS 11 3HZ LYS 11 -8.131 0.569 2.657
33 HZ2 LYS 11 1HZ LYS 11 -8.580 -0.971 3.211
34 HZ3 LYS 11 2HZ LYS 11 -9.581 0.350 3.496
35 HA PRO 12 HA PRO 12 -7.991 -2.814 -5.437
36 HB2 PRO 12 2HB PRO 12 -5.704 -0.973 -5.265
37 HB3 PRO 12 1HB PRO 12 -6.498 -1.618 -6.700
38 HG2 PRO 12 2HG PRO 12 -6.763 0.967 -5.998
39 HG3 PRO 12 1HG PRO 12 -8.074 0.052 -6.765
40 HD2 PRO 12 2HD PRO 12 -7.710 0.793 -3.892
41 HD3 PRO 12 1HD PRO 12 -9.186 0.764 -4.884
42 H LYS 13 H LYS 13 -6.510 -4.348 -4.784
43 HA LYS 13 HA LYS 13 -5.228 -3.885 -2.199
44 HB2 LYS 13 2HB LYS 13 -6.685 -6.393 -3.070
45 HB3 LYS 13 1HB LYS 13 -5.716 -6.229 -1.604
46 HG2 LYS 13 2HG LYS 13 -7.203 -4.673 -0.658
47 HG3 LYS 13 1HG LYS 13 -8.064 -4.463 -2.182
48 HD2 LYS 13 2HD LYS 13 -8.900 -6.714 -2.058
49 HD3 LYS 13 1HD LYS 13 -7.964 -7.016 -0.589
50 HE2 LYS 13 2HE LYS 13 -9.234 -5.394 0.621
51 HE3 LYS 13 1HE LYS 13 -10.072 -4.880 -0.839
52 HZ1 LYS 13 3HZ LYS 13 -11.181 -6.935 -0.965
53 HZ2 LYS 13 1HZ LYS 13 -11.370 -6.387 0.609
54 HZ3 LYS 13 2HZ LYS 13 -10.278 -7.636 0.261
55 H CYS 14 H CYS 14 -3.315 -5.067 -1.861
56 HA CYS 14 HA CYS 14 -2.062 -5.979 -4.354
57 HB2 CYS 14 2HB CYS 14 -0.030 -4.797 -3.663
58 HB3 CYS 14 1HB CYS 14 -1.387 -3.687 -3.863
59 H ARG 15 H ARG 15 -0.037 -7.139 -3.902
60 HA ARG 15 HA ARG 15 -0.095 -8.640 -1.374
61 HB2 ARG 15 2HB ARG 15 0.512 -9.634 -4.176
62 HB3 ARG 15 1HB ARG 15 1.027 -10.511 -2.747
63 HG2 ARG 15 2HG ARG 15 -0.967 -11.535 -3.544
64 HG3 ARG 15 1HG ARG 15 -1.384 -10.657 -2.075
65 HD2 ARG 15 2HD ARG 15 -2.152 -8.775 -3.558
66 HD3 ARG 15 1HD ARG 15 -1.917 -9.870 -4.922
67 HE ARG 15 HE ARG 15 -3.465 -11.235 -3.173
68 HH11 ARG 15 1HH1 ARG 15 -3.777 -8.210 -5.022
69 HH12 ARG 15 2HH1 ARG 15 -5.478 -8.214 -5.010
70 HH21 ARG 15 1HH2 ARG 15 -5.841 -11.230 -3.200
71 HH22 ARG 15 2HH2 ARG 15 -6.656 -9.957 -3.949
72 H CYS 16 H CYS 16 1.261 -6.189 -2.129
73 HA CYS 16 HA CYS 16 3.983 -6.493 -2.683
74 HB2 CYS 16 2HB CYS 16 2.672 -4.435 -0.886
75 HB3 CYS 16 1HB CYS 16 4.294 -4.334 -1.550
76 H GLY 17 H GLY 17 5.369 -7.664 -1.623
77 HA2 GLY 17 2HA GLY 17 6.650 -7.747 0.513
78 HA3 GLY 17 1HA GLY 17 5.078 -7.922 1.304
79 H ILE 18 H ILE 18 3.845 -9.571 -0.476
80 HA ILE 18 HA ILE 18 5.097 -12.131 0.009
81 HB ILE 18 HB ILE 18 2.716 -11.450 -1.763
82 HG12 ILE 18 2HG1 ILE 18 2.738 -12.311 1.139
83 HG13 ILE 18 1HG1 ILE 18 2.285 -10.729 0.531
84 HG21 ILE 18 1HG2 ILE 18 3.669 -13.617 -2.259
85 HG22 ILE 18 2HG2 ILE 18 2.100 -13.811 -1.470
86 HG23 ILE 18 3HG2 ILE 18 3.584 -14.071 -0.555
87 HD11 ILE 18 3HD1 ILE 18 0.826 -13.306 -0.033
88 HD12 ILE 18 1HD1 ILE 18 0.383 -11.714 -0.647
89 HD13 ILE 18 2HD1 ILE 18 0.315 -12.038 1.083
90 H SER 19 H SER 19 4.324 -9.966 -2.604
91 HA SER 19 HA SER 19 6.501 -11.013 -4.228
92 HB2 SER 19 2HB SER 19 3.734 -10.164 -5.155
93 HB3 SER 19 1HB SER 19 5.041 -10.694 -6.209
94 HG SER 19 HG SER 19 4.973 -12.696 -4.934
95 H GLY 20 H GLY 20 7.175 -9.220 -5.800
96 HA2 GLY 20 2HA GLY 20 7.238 -6.942 -6.399
97 HA3 GLY 20 1HA GLY 20 6.311 -6.560 -4.959
98 H SER 21 H SER 21 9.324 -8.393 -5.317
99 HA SER 21 HA SER 21 10.492 -7.001 -3.111
100 HB2 SER 21 2HB SER 21 11.712 -8.960 -5.067
101 HB3 SER 21 1HB SER 21 12.395 -8.477 -3.514
102 HG SER 21 HG SER 21 10.207 -9.273 -2.718
103 H SER 22 H SER 22 10.951 -4.958 -3.540
104 HA SER 22 HA SER 22 12.989 -4.339 -5.500
105 HB2 SER 22 2HB SER 22 10.317 -2.890 -5.538
106 HB3 SER 22 1HB SER 22 11.726 -2.475 -6.516
107 HG SER 22 HG SER 22 11.251 -5.032 -6.843
108 H ASN 23 H ASN 23 10.719 -3.108 -3.086
109 HA ASN 23 HA ASN 23 12.914 -1.622 -1.867
110 HB2 ASN 23 2HB ASN 23 10.002 -0.758 -2.122
111 HB3 ASN 23 1HB ASN 23 11.189 0.031 -1.101
112 HD21 ASN 23 1HD2 ASN 23 10.032 -0.404 -4.335
113 HD22 ASN 23 2HD2 ASN 23 11.013 0.793 -5.078
114 H THR 24 H THR 24 13.168 -2.203 0.234
115 HA THR 24 HA THR 24 11.324 -4.247 1.206
116 HB THR 24 HB THR 24 14.022 -3.476 2.353
117 HG1 THR 24 1HG THR 24 14.373 -4.138 0.251
118 HG21 THR 24 3HG2 THR 24 12.580 -4.830 3.824
119 HG22 THR 24 1HG2 THR 24 13.965 -5.764 3.261
120 HG23 THR 24 2HG2 THR 24 12.381 -6.016 2.533
121 H LEU 25 H LEU 25 12.521 -1.073 1.976
122 HA LEU 25 HA LEU 25 11.093 -0.990 4.527
123 HB2 LEU 25 2HB LEU 25 12.722 1.137 3.134
124 HB3 LEU 25 1HB LEU 25 12.138 1.190 4.784
125 HG LEU 25 HG LEU 25 14.212 -0.744 3.742
126 HD11 LEU 25 1HD1 LEU 25 15.038 1.525 3.743
127 HD12 LEU 25 2HD1 LEU 25 15.784 0.606 5.053
128 HD13 LEU 25 3HD1 LEU 25 14.477 1.745 5.397
129 HD21 LEU 25 3HD2 LEU 25 13.274 -0.167 6.551
130 HD22 LEU 25 1HD2 LEU 25 14.591 -1.250 6.102
131 HD23 LEU 25 2HD2 LEU 25 12.939 -1.633 5.624
132 H THR 26 H THR 26 11.099 0.229 1.302
133 HA THR 26 HA THR 26 8.764 1.906 1.784
134 HB THR 26 HB THR 26 10.417 1.761 -0.741
135 HG1 THR 26 1HG THR 26 11.110 3.557 1.331
136 HG21 THR 26 3HG2 THR 26 8.388 3.184 -0.705
137 HG22 THR 26 1HG2 THR 26 9.866 4.129 -0.873
138 HG23 THR 26 2HG2 THR 26 9.043 4.051 0.683
139 H THR 27 H THR 27 8.626 -1.129 1.556
140 HA THR 27 HA THR 27 8.081 -2.202 -0.899
141 HB THR 27 HB THR 27 6.597 -2.912 1.644
142 HG1 THR 27 1HG THR 27 9.188 -3.562 0.671
143 HG21 THR 27 3HG2 THR 27 7.431 -4.577 -0.747
144 HG22 THR 27 1HG2 THR 27 5.794 -4.039 -0.377
145 HG23 THR 27 2HG2 THR 27 6.607 -5.178 0.695
146 H CYS 28 H CYS 28 5.401 -1.223 1.247
147 HA CYS 28 HA CYS 28 3.732 -0.901 -1.084
148 HB2 CYS 28 2HB CYS 28 3.107 -0.984 1.829
149 HB3 CYS 28 1HB CYS 28 1.916 -0.311 0.731
150 H ARG 29 H ARG 29 5.847 1.035 0.214
151 HA ARG 29 HA ARG 29 4.224 3.482 0.352
152 HB2 ARG 29 2HB ARG 29 5.804 2.689 2.166
153 HB3 ARG 29 1HB ARG 29 7.117 3.069 1.077
154 HG2 ARG 29 2HG ARG 29 6.386 5.437 1.098
155 HG3 ARG 29 1HG ARG 29 5.134 5.008 2.268
156 HD2 ARG 29 2HD ARG 29 6.928 4.103 3.753
157 HD3 ARG 29 1HD ARG 29 8.117 4.745 2.625
158 HE ARG 29 HE ARG 29 6.255 6.706 3.551
159 HH11 ARG 29 1HH1 ARG 29 9.407 5.192 4.173
160 HH12 ARG 29 2HH1 ARG 29 9.838 6.298 5.389
161 HH21 ARG 29 1HH2 ARG 29 6.881 8.218 5.215
162 HH22 ARG 29 2HH2 ARG 29 8.390 8.046 5.984
163 H ASN 30 H ASN 30 5.300 2.009 -2.202
164 HA ASN 30 HA ASN 30 6.605 4.379 -3.320
165 HB2 ASN 30 2HB ASN 30 8.278 3.139 -4.496
166 HB3 ASN 30 1HB ASN 30 8.315 2.567 -2.835
167 HD21 ASN 30 1HD2 ASN 30 7.592 0.481 -2.413
168 HD22 ASN 30 2HD2 ASN 30 7.340 -0.695 -3.650
169 H SER 31 H SER 31 6.805 4.013 -5.824
170 HA SER 31 HA SER 31 4.256 4.345 -6.879
171 HB2 SER 31 2HB SER 31 6.796 3.755 -8.373
172 HB3 SER 31 1HB SER 31 5.402 4.685 -8.935
173 HG SER 31 HG SER 31 5.823 6.188 -7.320
174 H ARG 32 H ARG 32 5.908 1.379 -6.338
175 HA ARG 32 HA ARG 32 4.540 0.052 -8.522
176 HB2 ARG 32 2HB ARG 32 6.563 -0.982 -6.544
177 HB3 ARG 32 1HB ARG 32 5.874 -1.932 -7.860
178 HG2 ARG 32 2HG ARG 32 6.795 -0.372 -9.484
179 HG3 ARG 32 1HG ARG 32 7.448 0.611 -8.182
180 HD2 ARG 32 2HD ARG 32 8.864 -1.292 -7.503
181 HD3 ARG 32 1HD ARG 32 8.232 -2.212 -8.876
182 HE ARG 32 HE ARG 32 9.165 0.260 -9.764
183 HH11 ARG 32 1HH1 ARG 32 10.529 -2.817 -8.566
184 HH12 ARG 32 2HH1 ARG 32 11.973 -2.614 -9.420
185 HH21 ARG 32 1HH2 ARG 32 11.169 0.485 -10.889
186 HH22 ARG 32 2HH2 ARG 32 12.370 -0.704 -10.746
187 H CYS 33 H CYS 33 3.659 0.968 -5.570
188 HA CYS 33 HA CYS 33 2.048 -1.417 -5.151
189 HB2 CYS 33 2HB CYS 33 3.195 -0.541 -3.155
190 HB3 CYS 33 1HB CYS 33 2.406 1.015 -3.385
191 HA PRO 34 HA PRO 34 -0.928 0.795 -7.686
192 HB2 PRO 34 2HB PRO 34 -3.022 -0.958 -7.181
193 HB3 PRO 34 1HB PRO 34 -1.810 -1.176 -8.445
194 HG2 PRO 34 2HG PRO 34 -1.940 -2.367 -5.712
195 HG3 PRO 34 1HG PRO 34 -1.450 -3.127 -7.234
196 HD2 PRO 34 2HD PRO 34 0.336 -2.355 -5.429
197 HD3 PRO 34 1HD PRO 34 0.675 -2.166 -7.163
198 H CYS 35 H CYS 35 -1.462 -0.200 -4.432
199 HA CYS 35 HA CYS 35 -3.838 1.265 -3.888
200 HB2 CYS 35 2HB CYS 35 -1.672 0.405 -1.988
201 HB3 CYS 35 1HB CYS 35 -3.310 0.878 -1.551
202 H TYR 36 H TYR 36 -0.513 1.785 -2.873
203 HA TYR 36 HA TYR 36 -0.750 4.255 -1.660
204 HB2 TYR 36 2HB TYR 36 1.213 2.892 -1.364
205 HB3 TYR 36 1HB TYR 36 1.600 3.015 -3.077
206 HD1 TYR 36 2HD TYR 36 1.437 4.877 0.078
207 HD2 TYR 36 1HD TYR 36 2.762 4.910 -3.952
208 HE1 TYR 36 2HE TYR 36 2.750 6.907 0.528
209 HE2 TYR 36 1HE TYR 36 4.064 6.922 -3.541
210 HH TYR 36 HH TYR 36 3.979 8.806 -1.911
211 H LYS 37 H LYS 37 0.264 3.515 -4.949
212 HA LYS 37 HA LYS 37 0.792 6.169 -5.653
213 HB2 LYS 37 2HB LYS 37 1.611 3.964 -6.721
214 HB3 LYS 37 1HB LYS 37 0.093 3.954 -7.591
215 HG2 LYS 37 2HG LYS 37 2.077 6.203 -7.718
216 HG3 LYS 37 1HG LYS 37 2.076 4.854 -8.853
217 HD2 LYS 37 2HD LYS 37 -0.154 5.443 -9.577
218 HD3 LYS 37 1HD LYS 37 -0.234 6.730 -8.374
219 HE2 LYS 37 2HE LYS 37 1.669 7.825 -9.509
220 HE3 LYS 37 1HE LYS 37 1.611 6.554 -10.737
221 HZ1 LYS 37 3HZ LYS 37 0.398 8.494 -11.481
222 HZ2 LYS 37 1HZ LYS 37 -0.571 8.450 -10.097
223 HZ3 LYS 37 2HZ LYS 37 -0.664 7.214 -11.226
224 H SER 38 H SER 38 -2.124 4.201 -5.869
225 HA SER 38 HA SER 38 -3.564 6.369 -7.160
226 HB2 SER 38 2HB SER 38 -4.559 3.643 -6.292
227 HB3 SER 38 1HB SER 38 -5.411 4.786 -7.334
228 HG SER 38 HG SER 38 -3.418 3.019 -7.894
229 H TYR 39 H TYR 39 -2.501 6.192 -4.266
230 HA TYR 39 HA TYR 39 -2.901 7.208 -2.351
231 HB2 TYR 39 2HB TYR 39 -5.248 8.449 -3.785
232 HB3 TYR 39 1HB TYR 39 -4.596 9.003 -2.242
233 HD1 TYR 39 2HD TYR 39 -2.015 9.500 -2.239
234 HD2 TYR 39 1HD TYR 39 -4.420 9.404 -5.744
235 HE1 TYR 39 2HE TYR 39 -0.318 10.806 -3.430
236 HE2 TYR 39 1HE TYR 39 -2.722 10.708 -6.948
237 HH TYR 39 HH TYR 39 -0.919 12.261 -6.393
238 H ASN 40 H ASN 40 -4.160 4.618 -2.857
239 HA ASN 40 HA ASN 40 -6.342 4.704 -0.914
240 HB2 ASN 40 2HB ASN 40 -5.433 2.533 -2.798
241 HB3 ASN 40 1HB ASN 40 -6.520 2.194 -1.459
242 HD21 ASN 40 1HD2 ASN 40 -6.167 3.702 -4.544
243 HD22 ASN 40 2HD2 ASN 40 -7.842 3.990 -4.828
244 H SER 41 H SER 41 -6.367 2.788 0.624
245 HA SER 41 HA SER 41 -3.867 2.839 2.072
246 HB2 SER 41 2HB SER 41 -5.375 1.950 3.882
247 HB3 SER 41 1HB SER 41 -5.815 3.552 3.283
248 HG SER 41 HG SER 41 -7.665 2.482 3.291
249 H CYS 42 H CYS 42 -3.376 0.725 3.236
250 HA CYS 42 HA CYS 42 -3.933 -1.497 1.430
251 HB2 CYS 42 2HB CYS 42 -1.504 -0.948 3.094
252 HB3 CYS 42 1HB CYS 42 -1.863 -2.563 2.486
253 H ALA 43 H ALA 43 -5.203 -0.386 3.960
254 HA ALA 43 HA ALA 43 -5.265 -2.626 5.706
255 HB1 ALA 43 1HB ALA 43 -7.253 -1.533 6.689
256 HB2 ALA 43 2HB ALA 43 -7.268 -0.386 5.351
257 HB3 ALA 43 3HB ALA 43 -5.922 -0.393 6.489
258 H GLY 44 H GLY 44 -6.018 -4.530 5.094
259 HA2 GLY 44 2HA GLY 44 -7.918 -5.874 4.470
260 HA3 GLY 44 1HA GLY 44 -8.390 -4.597 3.356
261 H CYS 45 H CYS 45 -5.174 -4.703 2.980
262 HA CYS 45 HA CYS 45 -5.314 -6.321 0.587
263 HB2 CYS 45 2HB CYS 45 -2.974 -4.906 1.877
264 HB3 CYS 45 1HB CYS 45 -2.935 -5.705 0.315
265 H HIS 46 H HIS 46 -3.006 -7.605 0.385
266 HA HIS 46 HA HIS 46 -2.793 -9.272 2.775
267 HB2 HIS 46 2HB HIS 46 -2.673 -10.096 -0.136
268 HB3 HIS 46 1HB HIS 46 -2.162 -11.144 1.185
269 HD1 HIS 46 1HD HIS 46 -4.104 -11.769 2.931
270 HD2 HIS 46 2HD HIS 46 -5.364 -10.172 -0.681
271 HE1 HIS 46 1HE HIS 46 -6.550 -12.305 2.778
272 HE2 HIS 46 2HE HIS 46 -7.225 -11.553 0.497
273 H CYS 47 H CYS 47 -1.473 -6.897 2.033
274 HA CYS 47 HA CYS 47 1.111 -7.577 1.027
275 HB2 CYS 47 2HB CYS 47 1.610 -5.136 1.519
276 HB3 CYS 47 1HB CYS 47 0.353 -5.458 0.337
277 H VAL 48 H VAL 48 3.035 -7.462 2.051
278 HA VAL 48 HA VAL 48 3.004 -7.849 4.968
279 HB VAL 48 HB VAL 48 4.734 -9.277 2.908
280 HG11 VAL 48 1HG1 VAL 48 5.523 -10.650 4.766
281 HG12 VAL 48 2HG1 VAL 48 4.592 -9.661 5.889
282 HG13 VAL 48 3HG1 VAL 48 5.929 -8.949 4.988
283 HG21 VAL 48 3HG2 VAL 48 3.520 -11.320 3.557
284 HG22 VAL 48 1HG2 VAL 48 2.453 -10.114 2.836
285 HG23 VAL 48 2HG2 VAL 48 2.462 -10.352 4.581
286 H GLY 49 H GLY 49 4.422 -6.513 6.010
287 HA2 GLY 49 2HA GLY 49 6.087 -4.938 6.309
288 HA3 GLY 49 1HA GLY 49 6.796 -5.487 4.788
289 H CYS 50 H CYS 50 3.743 -4.062 5.704
290 HA CYS 50 HA CYS 50 3.832 -2.426 3.314
291 HB2 CYS 50 2HB CYS 50 1.811 -3.624 3.507
292 HB3 CYS 50 1HB CYS 50 1.619 -3.166 5.195
293 H LYS 51 H LYS 51 4.655 -0.463 3.549
294 HA LYS 51 HA LYS 51 3.774 1.030 5.907
295 HB2 LYS 51 2HB LYS 51 5.939 1.741 3.898
296 HB3 LYS 51 1HB LYS 51 5.526 2.673 5.324
297 HG2 LYS 51 2HG LYS 51 6.747 -0.070 5.256
298 HG3 LYS 51 1HG LYS 51 7.584 1.435 5.635
299 HD2 LYS 51 2HD LYS 51 6.109 1.704 7.601
300 HD3 LYS 51 1HD LYS 51 5.356 0.155 7.218
301 HE2 LYS 51 2HE LYS 51 8.256 0.622 7.896
302 HE3 LYS 51 1HE LYS 51 7.049 -0.127 8.934
303 HZ1 LYS 51 3HZ LYS 51 8.009 -1.216 6.337
304 HZ2 LYS 51 1HZ LYS 51 6.862 -1.947 7.345
305 HZ3 LYS 51 2HZ LYS 51 8.463 -1.743 7.846
306 H ASN 52 H ASN 52 1.744 1.487 5.175
307 HA ASN 52 HA ASN 52 1.609 3.004 2.682
308 HB2 ASN 52 2HB ASN 52 0.169 0.968 2.703
309 HB3 ASN 52 1HB ASN 52 -0.657 1.594 4.124
310 HD21 ASN 52 1HD2 ASN 52 -0.298 1.866 0.670
311 HD22 ASN 52 2HD2 ASN 52 -1.655 2.921 0.442
312 HA PRO 53 HA PRO 53 1.359 6.259 5.788
313 HB2 PRO 53 2HB PRO 53 1.191 7.845 3.278
314 HB3 PRO 53 1HB PRO 53 2.224 8.075 4.694
315 HG2 PRO 53 2HG PRO 53 3.286 7.072 2.513
316 HG3 PRO 53 1HG PRO 53 3.664 6.337 4.078
317 HD2 PRO 53 2HD PRO 53 1.706 5.415 2.005
318 HD3 PRO 53 1HD PRO 53 2.931 4.481 2.900
319 H HIS 54 H HIS 54 -1.042 5.178 3.744
320 HA HIS 54 HA HIS 54 -2.841 7.394 4.366
321 HB2 HIS 54 2HB HIS 54 -3.257 5.045 2.495
322 HB3 HIS 54 1HB HIS 54 -4.493 6.241 2.863
323 HD1 HIS 54 1HD HIS 54 -4.200 8.599 1.798
324 HD2 HIS 54 2HD HIS 54 -1.265 5.851 0.735
325 HE1 HIS 54 1HE HIS 54 -2.983 9.627 -0.132
326 HE2 HIS 54 2HE HIS 54 -1.023 8.117 -0.492
327 H LYS 55 H LYS 55 -4.542 7.189 5.587
328 HA LYS 55 HA LYS 55 -4.674 4.890 7.390
329 HB2 LYS 55 2HB LYS 55 -4.210 7.091 8.354
330 HB3 LYS 55 1HB LYS 55 -5.599 7.767 7.535
331 HG2 LYS 55 2HG LYS 55 -7.027 6.234 8.917
332 HG3 LYS 55 1HG LYS 55 -5.571 5.839 9.838
333 HD2 LYS 55 2HD LYS 55 -5.274 8.117 10.467
334 HD3 LYS 55 1HD LYS 55 -6.581 8.630 9.399
335 HE2 LYS 55 2HE LYS 55 -8.157 7.312 10.753
336 HE3 LYS 55 1HE LYS 55 -6.846 6.919 11.869
337 HZ1 LYS 55 3HZ LYS 55 -8.197 8.827 12.619
338 HZ2 LYS 55 1HZ LYS 55 -7.774 9.651 11.221
339 HZ3 LYS 55 2HZ LYS 55 -6.594 9.266 12.353
340 H GLU 56 H GLU 56 -6.925 4.254 7.977
341 HA GLU 56 HA GLU 56 -8.716 4.428 5.759
342 HB2 GLU 56 2HB GLU 56 -8.871 3.041 8.414
343 HB3 GLU 56 1HB GLU 56 -10.259 3.129 7.335
344 HG2 GLU 56 2HG GLU 56 -7.586 2.051 6.550
345 HG3 GLU 56 1HG GLU 56 -8.920 1.046 7.140
346 H ASP 57 H ASP 57 -9.135 6.506 5.599
347 HA ASP 57 HA ASP 57 -10.473 7.868 7.804
348 HB2 ASP 57 2HB ASP 57 -8.752 9.000 6.239
349 HB3 ASP 57 1HB ASP 57 -10.014 8.945 5.013
350 H TYR 58 H TYR 58 -12.668 8.029 7.862
351 HA TYR 58 HA TYR 58 -14.156 7.183 5.495
352 HB2 TYR 58 2HB TYR 58 -13.568 5.277 7.186
353 HB3 TYR 58 1HB TYR 58 -14.770 6.039 8.211
354 HD1 TYR 58 1HD TYR 58 -17.171 5.982 7.539
355 HD2 TYR 58 2HD TYR 58 -14.165 4.013 5.265
356 HE1 TYR 58 1HE TYR 58 -18.900 4.638 6.418
357 HE2 TYR 58 2HE TYR 58 -15.884 2.672 4.135
358 HH TYR 58 HH TYR 58 -19.166 3.420 4.323
359 H VAL 59 H VAL 59 -16.356 7.930 5.590
360 HA VAL 59 HA VAL 59 -16.633 10.145 7.404
361 HB VAL 59 HB VAL 59 -16.897 10.761 5.077
362 HG11 VAL 59 1HG1 VAL 59 -19.138 8.774 4.877
363 HG12 VAL 59 2HG1 VAL 59 -17.564 8.676 4.083
364 HG13 VAL 59 3HG1 VAL 59 -18.700 9.949 3.637
365 HG21 VAL 59 3HG2 VAL 59 -18.250 12.021 6.635
366 HG22 VAL 59 1HG2 VAL 59 -19.554 10.842 6.500
367 HG23 VAL 59 2HG2 VAL 59 -19.120 11.835 5.111
Start of MODEL 10
1 H1 SER 8 1HT SER 8 -18.884 2.173 -3.543
2 H2 SER 8 2HT SER 8 -19.167 3.116 -4.923
3 H3 SER 8 3HT SER 8 -19.398 3.768 -3.369
4 HA SER 8 HA SER 8 -17.328 4.508 -4.330
5 HB2 SER 8 2HB SER 8 -15.945 3.758 -2.343
6 HB3 SER 8 1HB SER 8 -17.521 4.427 -1.927
7 HG SER 8 HG SER 8 -16.640 2.211 -1.087
8 HA PRO 9 HA PRO 9 -14.945 1.495 -6.563
9 HB2 PRO 9 2HB PRO 9 -12.413 2.468 -6.333
10 HB3 PRO 9 1HB PRO 9 -13.622 3.219 -7.375
11 HG2 PRO 9 2HG PRO 9 -12.723 4.016 -4.646
12 HG3 PRO 9 1HG PRO 9 -13.090 5.040 -6.047
13 HD2 PRO 9 2HD PRO 9 -14.816 4.675 -3.983
14 HD3 PRO 9 1HD PRO 9 -15.339 4.990 -5.647
15 HA PRO 10 HA PRO 10 -13.570 -1.247 -3.248
16 HB2 PRO 10 2HB PRO 10 -12.548 -3.196 -4.912
17 HB3 PRO 10 1HB PRO 10 -14.255 -3.074 -4.471
18 HG2 PRO 10 2HG PRO 10 -12.861 -2.141 -6.940
19 HG3 PRO 10 1HG PRO 10 -14.445 -2.920 -6.779
20 HD2 PRO 10 2HD PRO 10 -14.200 -0.287 -7.168
21 HD3 PRO 10 1HD PRO 10 -15.476 -0.965 -6.134
22 H LYS 11 H LYS 11 -11.716 -1.021 -2.179
23 HA LYS 11 HA LYS 11 -9.539 0.226 -3.435
24 HB2 LYS 11 2HB LYS 11 -9.876 -0.830 -0.638
25 HB3 LYS 11 1HB LYS 11 -8.377 -0.081 -1.186
26 HG2 LYS 11 2HG LYS 11 -9.672 1.926 -1.835
27 HG3 LYS 11 1HG LYS 11 -11.102 1.180 -1.130
28 HD2 LYS 11 2HD LYS 11 -8.575 1.707 0.414
29 HD3 LYS 11 1HD LYS 11 -9.878 2.874 0.296
30 HE2 LYS 11 2HE LYS 11 -11.398 1.088 1.254
31 HE3 LYS 11 1HE LYS 11 -9.941 0.143 1.563
32 HZ1 LYS 11 3HZ LYS 11 -10.571 1.463 3.535
33 HZ2 LYS 11 1HZ LYS 11 -10.462 2.866 2.615
34 HZ3 LYS 11 2HZ LYS 11 -9.088 1.980 2.922
35 HA PRO 12 HA PRO 12 -7.479 -3.210 -5.108
36 HB2 PRO 12 2HB PRO 12 -4.971 -1.752 -4.824
37 HB3 PRO 12 1HB PRO 12 -5.777 -2.296 -6.292
38 HG2 PRO 12 2HG PRO 12 -5.674 0.321 -5.584
39 HG3 PRO 12 1HG PRO 12 -7.022 -0.381 -6.496
40 HD2 PRO 12 2HD PRO 12 -6.874 0.386 -3.630
41 HD3 PRO 12 1HD PRO 12 -8.232 0.433 -4.776
42 H LYS 13 H LYS 13 -6.439 -4.913 -4.405
43 HA LYS 13 HA LYS 13 -5.210 -4.725 -1.781
44 HB2 LYS 13 2HB LYS 13 -5.575 -7.196 -1.665
45 HB3 LYS 13 1HB LYS 13 -7.020 -6.197 -1.547
46 HG2 LYS 13 2HG LYS 13 -7.512 -6.677 -3.919
47 HG3 LYS 13 1HG LYS 13 -6.084 -7.707 -3.994
48 HD2 LYS 13 2HD LYS 13 -7.047 -9.182 -2.315
49 HD3 LYS 13 1HD LYS 13 -8.464 -8.134 -2.182
50 HE2 LYS 13 2HE LYS 13 -9.012 -8.553 -4.506
51 HE3 LYS 13 1HE LYS 13 -7.579 -9.564 -4.687
52 HZ1 LYS 13 3HZ LYS 13 -9.911 -10.149 -2.924
53 HZ2 LYS 13 1HZ LYS 13 -8.523 -11.106 -3.101
54 HZ3 LYS 13 2HZ LYS 13 -9.562 -10.867 -4.399
55 H CYS 14 H CYS 14 -3.225 -4.642 -1.869
56 HA CYS 14 HA CYS 14 -1.746 -5.748 -4.119
57 HB2 CYS 14 2HB CYS 14 0.175 -4.434 -3.278
58 HB3 CYS 14 1HB CYS 14 -1.246 -3.442 -3.558
59 H ARG 15 H ARG 15 0.173 -7.020 -3.750
60 HA ARG 15 HA ARG 15 0.016 -8.609 -1.273
61 HB2 ARG 15 2HB ARG 15 0.815 -9.479 -4.058
62 HB3 ARG 15 1HB ARG 15 0.848 -10.524 -2.642
63 HG2 ARG 15 2HG ARG 15 -1.591 -10.195 -2.396
64 HG3 ARG 15 1HG ARG 15 -1.582 -9.211 -3.853
65 HD2 ARG 15 2HD ARG 15 -0.706 -11.206 -5.087
66 HD3 ARG 15 1HD ARG 15 -0.948 -12.152 -3.612
67 HE ARG 15 HE ARG 15 -3.246 -10.669 -4.422
68 HH11 ARG 15 1HH1 ARG 15 -1.631 -13.797 -4.803
69 HH12 ARG 15 2HH1 ARG 15 -2.990 -14.582 -5.447
70 HH21 ARG 15 1HH2 ARG 15 -5.096 -11.730 -5.287
71 HH22 ARG 15 2HH2 ARG 15 -5.019 -13.375 -5.725
72 H CYS 16 H CYS 16 1.485 -6.237 -1.681
73 HA CYS 16 HA CYS 16 4.233 -6.534 -2.189
74 HB2 CYS 16 2HB CYS 16 2.877 -4.645 -0.241
75 HB3 CYS 16 1HB CYS 16 4.500 -4.460 -0.886
76 H GLY 17 H GLY 17 5.520 -7.936 -1.149
77 HA2 GLY 17 2HA GLY 17 6.650 -8.207 1.088
78 HA3 GLY 17 1HA GLY 17 5.021 -8.420 1.729
79 H ILE 18 H ILE 18 3.919 -9.915 -0.338
80 HA ILE 18 HA ILE 18 5.030 -12.523 0.119
81 HB ILE 18 HB ILE 18 2.992 -11.637 -1.976
82 HG12 ILE 18 2HG1 ILE 18 2.532 -12.760 0.805
83 HG13 ILE 18 1HG1 ILE 18 2.231 -11.104 0.298
84 HG21 ILE 18 1HG2 ILE 18 2.305 -14.003 -2.037
85 HG22 ILE 18 2HG2 ILE 18 3.581 -14.399 -0.889
86 HG23 ILE 18 3HG2 ILE 18 3.999 -13.812 -2.496
87 HD11 ILE 18 3HD1 ILE 18 0.491 -11.909 -1.242
88 HD12 ILE 18 1HD1 ILE 18 0.170 -12.362 0.432
89 HD13 ILE 18 2HD1 ILE 18 0.797 -13.557 -0.701
90 H SER 19 H SER 19 4.920 -10.111 -2.342
91 HA SER 19 HA SER 19 7.360 -11.160 -3.529
92 HB2 SER 19 2HB SER 19 5.393 -11.467 -5.067
93 HB3 SER 19 1HB SER 19 5.081 -9.732 -4.951
94 HG SER 19 HG SER 19 7.252 -11.082 -6.111
95 H GLY 20 H GLY 20 8.933 -9.683 -3.133
96 HA2 GLY 20 2HA GLY 20 8.892 -6.999 -3.651
97 HA3 GLY 20 1HA GLY 20 8.254 -7.132 -2.016
98 H SER 21 H SER 21 10.924 -8.399 -3.953
99 HA SER 21 HA SER 21 12.633 -8.673 -1.680
100 HB2 SER 21 2HB SER 21 13.305 -8.752 -4.625
101 HB3 SER 21 1HB SER 21 14.241 -9.448 -3.299
102 HG SER 21 HG SER 21 13.010 -11.130 -3.339
103 H SER 22 H SER 22 14.392 -7.351 -1.188
104 HA SER 22 HA SER 22 15.731 -5.618 -1.046
105 HB2 SER 22 2HB SER 22 14.765 -4.829 -3.804
106 HB3 SER 22 1HB SER 22 16.156 -4.128 -2.976
107 HG SER 22 HG SER 22 16.421 -6.745 -2.899
108 H ASN 23 H ASN 23 12.544 -4.682 -2.279
109 HA ASN 23 HA ASN 23 12.726 -2.410 -0.479
110 HB2 ASN 23 2HB ASN 23 10.807 -1.371 -1.677
111 HB3 ASN 23 1HB ASN 23 12.192 -1.640 -2.710
112 HD21 ASN 23 1HD2 ASN 23 12.032 -3.171 -4.358
113 HD22 ASN 23 2HD2 ASN 23 10.516 -3.779 -4.912
114 H THR 24 H THR 24 12.409 -3.594 1.387
115 HA THR 24 HA THR 24 9.583 -4.281 1.807
116 HB THR 24 HB THR 24 11.925 -4.958 3.630
117 HG1 THR 24 1HG THR 24 11.245 -5.915 1.193
118 HG21 THR 24 3HG2 THR 24 10.397 -6.726 4.428
119 HG22 THR 24 1HG2 THR 24 9.164 -6.172 3.295
120 HG23 THR 24 2HG2 THR 24 9.666 -5.130 4.626
121 H LEU 25 H LEU 25 11.891 -1.961 2.246
122 HA LEU 25 HA LEU 25 10.604 -0.749 4.553
123 HB2 LEU 25 2HB LEU 25 12.426 0.753 4.714
124 HB3 LEU 25 1HB LEU 25 13.117 -0.802 4.354
125 HG LEU 25 HG LEU 25 12.799 1.488 2.395
126 HD11 LEU 25 1HD1 LEU 25 15.231 0.402 3.772
127 HD12 LEU 25 2HD1 LEU 25 14.437 1.942 4.100
128 HD13 LEU 25 3HD1 LEU 25 15.217 1.665 2.542
129 HD21 LEU 25 3HD2 LEU 25 12.746 -0.689 1.237
130 HD22 LEU 25 1HD2 LEU 25 14.259 -1.134 2.040
131 HD23 LEU 25 2HD2 LEU 25 14.231 0.204 0.898
132 H THR 26 H THR 26 10.414 -0.729 1.206
133 HA THR 26 HA THR 26 8.805 1.682 1.277
134 HB THR 26 HB THR 26 9.708 2.056 -1.140
135 HG1 THR 26 1HG THR 26 11.362 0.967 -1.718
136 HG21 THR 26 3HG2 THR 26 11.574 3.435 -0.282
137 HG22 THR 26 1HG2 THR 26 11.426 2.641 1.282
138 HG23 THR 26 2HG2 THR 26 10.105 3.640 0.672
139 H THR 27 H THR 27 8.155 -1.250 1.298
140 HA THR 27 HA THR 27 7.527 -2.471 -1.057
141 HB THR 27 HB THR 27 5.517 -2.882 0.937
142 HG1 THR 27 1HG THR 27 6.915 -3.159 2.754
143 HG21 THR 27 3HG2 THR 27 6.493 -4.636 -0.537
144 HG22 THR 27 1HG2 THR 27 6.619 -5.060 1.170
145 HG23 THR 27 2HG2 THR 27 8.033 -4.454 0.297
146 H CYS 28 H CYS 28 5.187 -0.892 1.057
147 HA CYS 28 HA CYS 28 3.393 -0.413 -1.140
148 HB2 CYS 28 2HB CYS 28 3.012 -0.206 1.844
149 HB3 CYS 28 1HB CYS 28 1.765 0.265 0.686
150 H ARG 29 H ARG 29 5.876 1.195 0.053
151 HA ARG 29 HA ARG 29 4.651 3.846 0.179
152 HB2 ARG 29 2HB ARG 29 6.193 3.098 1.983
153 HB3 ARG 29 1HB ARG 29 7.466 2.958 0.783
154 HG2 ARG 29 2HG ARG 29 7.405 5.366 0.421
155 HG3 ARG 29 1HG ARG 29 6.110 5.512 1.608
156 HD2 ARG 29 2HD ARG 29 7.528 4.704 3.355
157 HD3 ARG 29 1HD ARG 29 8.831 4.366 2.215
158 HE ARG 29 HE ARG 29 8.299 7.039 1.947
159 HH11 ARG 29 1HH1 ARG 29 9.247 4.968 4.640
160 HH12 ARG 29 2HH1 ARG 29 10.189 6.153 5.407
161 HH21 ARG 29 1HH2 ARG 29 9.596 8.685 3.027
162 HH22 ARG 29 2HH2 ARG 29 10.384 8.301 4.491
163 H ASN 30 H ASN 30 5.630 2.036 -2.307
164 HA ASN 30 HA ASN 30 6.861 4.353 -3.625
165 HB2 ASN 30 2HB ASN 30 8.298 3.016 -4.938
166 HB3 ASN 30 1HB ASN 30 8.415 2.346 -3.320
167 HD21 ASN 30 1HD2 ASN 30 7.519 0.296 -2.935
168 HD22 ASN 30 2HD2 ASN 30 7.090 -0.752 -4.235
169 H SER 31 H SER 31 6.612 4.225 -6.096
170 HA SER 31 HA SER 31 3.871 4.549 -6.552
171 HB2 SER 31 2HB SER 31 6.131 4.508 -8.525
172 HB3 SER 31 1HB SER 31 4.547 5.247 -8.757
173 HG SER 31 HG SER 31 6.621 6.399 -7.839
174 H ARG 32 H ARG 32 5.670 1.645 -6.751
175 HA ARG 32 HA ARG 32 4.060 0.576 -8.907
176 HB2 ARG 32 2HB ARG 32 6.173 -0.723 -7.183
177 HB3 ARG 32 1HB ARG 32 5.321 -1.532 -8.487
178 HG2 ARG 32 2HG ARG 32 7.069 0.900 -8.813
179 HG3 ARG 32 1HG ARG 32 7.561 -0.762 -9.137
180 HD2 ARG 32 2HD ARG 32 5.352 0.748 -10.552
181 HD3 ARG 32 1HD ARG 32 6.948 0.377 -11.200
182 HE ARG 32 HE ARG 32 5.890 -2.021 -10.447
183 HH11 ARG 32 1HH1 ARG 32 5.056 0.472 -12.802
184 HH12 ARG 32 2HH1 ARG 32 4.229 -0.581 -13.845
185 HH21 ARG 32 1HH2 ARG 32 4.801 -3.458 -11.828
186 HH22 ARG 32 2HH2 ARG 32 4.055 -2.909 -13.267
187 H CYS 33 H CYS 33 3.571 1.132 -5.705
188 HA CYS 33 HA CYS 33 1.992 -1.242 -5.296
189 HB2 CYS 33 2HB CYS 33 3.278 -0.300 -3.399
190 HB3 CYS 33 1HB CYS 33 2.372 1.203 -3.535
191 HA PRO 34 HA PRO 34 -1.338 0.782 -7.447
192 HB2 PRO 34 2HB PRO 34 -3.320 -1.000 -6.746
193 HB3 PRO 34 1HB PRO 34 -2.160 -1.271 -8.051
194 HG2 PRO 34 2HG PRO 34 -2.135 -2.294 -5.247
195 HG3 PRO 34 1HG PRO 34 -1.715 -3.138 -6.746
196 HD2 PRO 34 2HD PRO 34 0.157 -2.187 -5.066
197 HD3 PRO 34 1HD PRO 34 0.403 -2.197 -6.823
198 H CYS 35 H CYS 35 -1.220 0.209 -4.129
199 HA CYS 35 HA CYS 35 -3.649 1.610 -3.477
200 HB2 CYS 35 2HB CYS 35 -1.362 0.671 -1.778
201 HB3 CYS 35 1HB CYS 35 -2.862 1.346 -1.148
202 H TYR 36 H TYR 36 -0.218 2.145 -2.859
203 HA TYR 36 HA TYR 36 -0.174 4.643 -1.765
204 HB2 TYR 36 2HB TYR 36 1.794 3.260 -1.909
205 HB3 TYR 36 1HB TYR 36 1.779 3.355 -3.662
206 HD1 TYR 36 2HD TYR 36 2.498 5.227 -0.565
207 HD2 TYR 36 1HD TYR 36 2.740 5.225 -4.805
208 HE1 TYR 36 2HE TYR 36 4.039 7.155 -0.480
209 HE2 TYR 36 1HE TYR 36 4.280 7.135 -4.738
210 HH TYR 36 HH TYR 36 4.921 8.909 -3.314
211 H LYS 37 H LYS 37 0.300 3.973 -5.217
212 HA LYS 37 HA LYS 37 0.425 6.728 -5.876
213 HB2 LYS 37 2HB LYS 37 1.617 4.913 -7.074
214 HB3 LYS 37 1HB LYS 37 0.079 4.364 -7.709
215 HG2 LYS 37 2HG LYS 37 -0.204 6.454 -8.918
216 HG3 LYS 37 1HG LYS 37 1.295 7.069 -8.228
217 HD2 LYS 37 2HD LYS 37 2.567 5.332 -9.349
218 HD3 LYS 37 1HD LYS 37 1.087 4.612 -9.968
219 HE2 LYS 37 2HE LYS 37 2.075 7.383 -10.617
220 HE3 LYS 37 1HE LYS 37 2.238 5.969 -11.666
221 HZ1 LYS 37 3HZ LYS 37 -0.214 5.826 -11.692
222 HZ2 LYS 37 1HZ LYS 37 0.360 7.283 -12.328
223 HZ3 LYS 37 2HZ LYS 37 -0.294 7.249 -10.792
224 H SER 38 H SER 38 -2.182 4.606 -5.470
225 HA SER 38 HA SER 38 -3.932 6.366 -7.024
226 HB2 SER 38 2HB SER 38 -4.529 3.635 -5.888
227 HB3 SER 38 1HB SER 38 -5.556 4.558 -6.983
228 HG SER 38 HG SER 38 -3.534 2.925 -7.505
229 H TYR 39 H TYR 39 -2.728 6.426 -4.126
230 HA TYR 39 HA TYR 39 -3.213 7.494 -2.202
231 HB2 TYR 39 2HB TYR 39 -5.682 8.433 -3.695
232 HB3 TYR 39 1HB TYR 39 -5.097 9.104 -2.173
233 HD1 TYR 39 2HD TYR 39 -2.918 10.292 -2.126
234 HD2 TYR 39 1HD TYR 39 -4.717 9.072 -5.775
235 HE1 TYR 39 2HE TYR 39 -1.437 11.809 -3.360
236 HE2 TYR 39 1HE TYR 39 -3.234 10.589 -7.019
237 HH TYR 39 HH TYR 39 -1.921 12.606 -6.602
238 H ASN 40 H ASN 40 -4.108 4.752 -2.538
239 HA ASN 40 HA ASN 40 -6.537 4.704 -0.880
240 HB2 ASN 40 2HB ASN 40 -5.212 2.410 -2.341
241 HB3 ASN 40 1HB ASN 40 -6.614 2.265 -1.305
242 HD21 ASN 40 1HD2 ASN 40 -5.438 3.076 -4.372
243 HD22 ASN 40 2HD2 ASN 40 -6.976 3.355 -5.121
244 H SER 41 H SER 41 -6.627 3.049 0.755
245 HA SER 41 HA SER 41 -4.177 2.944 2.302
246 HB2 SER 41 2HB SER 41 -5.900 2.251 4.074
247 HB3 SER 41 1HB SER 41 -5.939 3.930 3.529
248 HG SER 41 HG SER 41 -7.750 3.542 2.369
249 H CYS 42 H CYS 42 -3.566 0.911 3.223
250 HA CYS 42 HA CYS 42 -4.310 -1.313 1.565
251 HB2 CYS 42 2HB CYS 42 -2.099 -1.015 3.589
252 HB3 CYS 42 1HB CYS 42 -2.475 -2.537 2.791
253 H ALA 43 H ALA 43 -6.332 -1.142 2.441
254 HA ALA 43 HA ALA 43 -6.626 -2.775 4.863
255 HB1 ALA 43 1HB ALA 43 -8.625 -0.853 3.645
256 HB2 ALA 43 2HB ALA 43 -7.633 -0.539 5.071
257 HB3 ALA 43 3HB ALA 43 -8.861 -1.802 5.117
258 H GLY 44 H GLY 44 -6.913 -4.798 4.288
259 HA2 GLY 44 2HA GLY 44 -8.316 -6.490 3.355
260 HA3 GLY 44 1HA GLY 44 -8.724 -5.378 2.054
261 H CYS 45 H CYS 45 -5.562 -5.062 2.683
262 HA CYS 45 HA CYS 45 -4.801 -6.458 0.252
263 HB2 CYS 45 2HB CYS 45 -3.156 -4.770 2.132
264 HB3 CYS 45 1HB CYS 45 -2.630 -5.380 0.569
265 H HIS 46 H HIS 46 -2.801 -7.761 0.262
266 HA HIS 46 HA HIS 46 -2.555 -9.326 2.729
267 HB2 HIS 46 2HB HIS 46 -2.399 -10.149 -0.167
268 HB3 HIS 46 1HB HIS 46 -1.615 -11.106 1.087
269 HD1 HIS 46 1HD HIS 46 -3.011 -12.880 2.030
270 HD2 HIS 46 2HD HIS 46 -5.308 -9.823 0.442
271 HE1 HIS 46 1HE HIS 46 -5.389 -13.648 2.248
272 HE2 HIS 46 2HE HIS 46 -6.717 -11.612 1.616
273 H CYS 47 H CYS 47 -1.293 -6.894 2.031
274 HA CYS 47 HA CYS 47 1.402 -7.542 1.366
275 HB2 CYS 47 2HB CYS 47 1.835 -5.125 1.921
276 HB3 CYS 47 1HB CYS 47 0.748 -5.433 0.582
277 H VAL 48 H VAL 48 3.001 -7.808 2.600
278 HA VAL 48 HA VAL 48 2.604 -7.822 5.519
279 HB VAL 48 HB VAL 48 4.361 -9.718 3.922
280 HG11 VAL 48 1HG1 VAL 48 4.560 -10.964 6.039
281 HG12 VAL 48 2HG1 VAL 48 3.635 -9.698 6.845
282 HG13 VAL 48 3HG1 VAL 48 5.210 -9.327 6.149
283 HG21 VAL 48 3HG2 VAL 48 2.742 -11.485 4.476
284 HG22 VAL 48 1HG2 VAL 48 2.016 -10.221 3.486
285 HG23 VAL 48 2HG2 VAL 48 1.688 -10.282 5.218
286 H GLY 49 H GLY 49 3.874 -6.366 6.419
287 HA2 GLY 49 2HA GLY 49 5.834 -5.144 6.810
288 HA3 GLY 49 1HA GLY 49 6.512 -5.793 5.305
289 H CYS 50 H CYS 50 3.429 -4.288 5.927
290 HA CYS 50 HA CYS 50 3.616 -2.712 3.562
291 HB2 CYS 50 2HB CYS 50 1.505 -3.667 3.954
292 HB3 CYS 50 1HB CYS 50 1.505 -3.185 5.646
293 H LYS 51 H LYS 51 4.872 -0.969 3.762
294 HA LYS 51 HA LYS 51 4.218 0.806 5.997
295 HB2 LYS 51 2HB LYS 51 6.596 0.863 4.111
296 HB3 LYS 51 1HB LYS 51 6.289 2.004 5.413
297 HG2 LYS 51 2HG LYS 51 6.552 0.304 7.054
298 HG3 LYS 51 1HG LYS 51 6.687 -0.939 5.803
299 HD2 LYS 51 2HD LYS 51 8.746 0.118 5.002
300 HD3 LYS 51 1HD LYS 51 8.616 1.334 6.269
301 HE2 LYS 51 2HE LYS 51 10.198 -0.458 6.851
302 HE3 LYS 51 1HE LYS 51 8.857 -0.362 7.984
303 HZ1 LYS 51 3HZ LYS 51 9.086 -2.333 5.752
304 HZ2 LYS 51 1HZ LYS 51 7.841 -2.264 6.909
305 HZ3 LYS 51 2HZ LYS 51 9.406 -2.636 7.379
306 H ASN 52 H ASN 52 2.369 1.578 5.133
307 HA ASN 52 HA ASN 52 2.666 2.960 2.576
308 HB2 ASN 52 2HB ASN 52 0.912 1.232 2.485
309 HB3 ASN 52 1HB ASN 52 0.112 1.962 3.866
310 HD21 ASN 52 1HD2 ASN 52 -1.725 2.157 2.615
311 HD22 ASN 52 2HD2 ASN 52 -1.969 3.392 1.430
312 HA PRO 53 HA PRO 53 2.375 6.486 5.280
313 HB2 PRO 53 2HB PRO 53 2.961 8.360 3.437
314 HB3 PRO 53 1HB PRO 53 4.185 7.293 4.135
315 HG2 PRO 53 2HG PRO 53 2.766 7.063 1.511
316 HG3 PRO 53 1HG PRO 53 4.493 6.865 1.862
317 HD2 PRO 53 2HD PRO 53 2.806 4.768 1.577
318 HD3 PRO 53 1HD PRO 53 4.207 4.717 2.662
319 H HIS 54 H HIS 54 0.267 5.481 2.955
320 HA HIS 54 HA HIS 54 -1.357 7.916 3.067
321 HB2 HIS 54 2HB HIS 54 -1.665 5.465 1.366
322 HB3 HIS 54 1HB HIS 54 -2.885 6.724 1.450
323 HD1 HIS 54 1HD HIS 54 -2.469 8.850 0.174
324 HD2 HIS 54 2HD HIS 54 0.712 6.208 0.042
325 HE1 HIS 54 1HE HIS 54 -0.939 9.738 -1.599
326 HE2 HIS 54 2HE HIS 54 0.862 8.043 -1.807
327 H LYS 55 H LYS 55 -2.123 7.867 5.074
328 HA LYS 55 HA LYS 55 -3.866 5.658 5.734
329 HB2 LYS 55 2HB LYS 55 -4.279 6.828 7.937
330 HB3 LYS 55 1HB LYS 55 -2.613 6.388 7.674
331 HG2 LYS 55 2HG LYS 55 -2.481 8.497 8.655
332 HG3 LYS 55 1HG LYS 55 -2.315 8.848 6.943
333 HD2 LYS 55 2HD LYS 55 -4.670 9.504 6.834
334 HD3 LYS 55 1HD LYS 55 -4.871 9.104 8.542
335 HE2 LYS 55 2HE LYS 55 -4.590 11.507 8.291
336 HE3 LYS 55 1HE LYS 55 -3.199 10.826 9.115
337 HZ1 LYS 55 3HZ LYS 55 -3.299 11.551 6.230
338 HZ2 LYS 55 1HZ LYS 55 -1.965 10.893 7.037
339 HZ3 LYS 55 2HZ LYS 55 -2.527 12.422 7.443
340 H GLU 56 H GLU 56 -5.952 5.634 5.515
341 HA GLU 56 HA GLU 56 -7.031 7.811 3.935
342 HB2 GLU 56 2HB GLU 56 -7.203 5.481 3.181
343 HB3 GLU 56 1HB GLU 56 -8.175 5.104 4.592
344 HG2 GLU 56 2HG GLU 56 -9.927 6.569 3.783
345 HG3 GLU 56 1HG GLU 56 -8.926 7.033 2.405
346 H ASP 57 H ASP 57 -8.654 9.083 4.572
347 HA ASP 57 HA ASP 57 -9.931 8.540 7.123
348 HB2 ASP 57 2HB ASP 57 -7.896 10.188 7.248
349 HB3 ASP 57 1HB ASP 57 -8.954 11.294 6.383
350 H TYR 58 H TYR 58 -11.541 10.802 7.123
351 HA TYR 58 HA TYR 58 -13.050 10.307 4.702
352 HB2 TYR 58 2HB TYR 58 -13.948 11.137 7.453
353 HB3 TYR 58 1HB TYR 58 -14.994 10.910 6.051
354 HD1 TYR 58 1HD TYR 58 -15.183 8.645 5.029
355 HD2 TYR 58 2HD TYR 58 -13.209 9.278 8.737
356 HE1 TYR 58 1HE TYR 58 -15.293 6.243 5.488
357 HE2 TYR 58 2HE TYR 58 -13.320 6.872 9.208
358 HH TYR 58 HH TYR 58 -14.712 4.930 8.508
359 H VAL 59 H VAL 59 -12.783 11.848 3.333
360 HA VAL 59 HA VAL 59 -12.134 14.528 4.140
361 HB VAL 59 HB VAL 59 -12.681 13.403 1.369
362 HG11 VAL 59 1HG1 VAL 59 -12.910 15.837 1.480
363 HG12 VAL 59 2HG1 VAL 59 -11.500 15.371 0.537
364 HG13 VAL 59 3HG1 VAL 59 -11.294 15.963 2.179
365 HG21 VAL 59 3HG2 VAL 59 -10.799 12.263 2.423
366 HG22 VAL 59 1HG2 VAL 59 -10.046 13.812 2.786
367 HG23 VAL 59 2HG2 VAL 59 -10.237 13.303 1.112
Start of MODEL 11
1 H1 SER 8 1HT SER 8 -20.773 0.147 -2.281
2 H2 SER 8 2HT SER 8 -20.698 1.319 -1.056
3 H3 SER 8 3HT SER 8 -20.347 -0.315 -0.724
4 HA SER 8 HA SER 8 -18.823 1.415 -2.527
5 HB2 SER 8 2HB SER 8 -18.204 0.394 0.257
6 HB3 SER 8 1HB SER 8 -17.091 1.306 -0.765
7 HG SER 8 HG SER 8 -19.142 2.192 0.806
8 HA PRO 9 HA PRO 9 -17.633 -2.696 -3.850
9 HB2 PRO 9 2HB PRO 9 -16.082 -1.968 -5.935
10 HB3 PRO 9 1HB PRO 9 -17.844 -1.849 -6.010
11 HG2 PRO 9 2HG PRO 9 -15.822 0.297 -5.560
12 HG3 PRO 9 1HG PRO 9 -17.331 0.347 -6.487
13 HD2 PRO 9 2HD PRO 9 -17.019 1.328 -3.919
14 HD3 PRO 9 1HD PRO 9 -18.568 0.888 -4.656
15 HA PRO 10 HA PRO 10 -13.689 -3.369 -1.911
16 HB2 PRO 10 2HB PRO 10 -12.935 -4.995 -4.293
17 HB3 PRO 10 1HB PRO 10 -12.922 -5.448 -2.584
18 HG2 PRO 10 2HG PRO 10 -14.824 -6.374 -4.179
19 HG3 PRO 10 1HG PRO 10 -15.213 -5.835 -2.535
20 HD2 PRO 10 2HD PRO 10 -15.651 -4.417 -5.135
21 HD3 PRO 10 1HD PRO 10 -16.706 -4.535 -3.708
22 H LYS 11 H LYS 11 -12.022 -2.084 -1.839
23 HA LYS 11 HA LYS 11 -11.275 -0.443 -4.079
24 HB2 LYS 11 2HB LYS 11 -9.764 0.668 -2.489
25 HB3 LYS 11 1HB LYS 11 -11.368 0.489 -1.802
26 HG2 LYS 11 2HG LYS 11 -10.546 -1.471 -0.508
27 HG3 LYS 11 1HG LYS 11 -8.935 -1.179 -1.155
28 HD2 LYS 11 2HD LYS 11 -9.065 -0.206 1.054
29 HD3 LYS 11 1HD LYS 11 -9.006 1.099 -0.126
30 HE2 LYS 11 2HE LYS 11 -11.487 1.306 0.039
31 HE3 LYS 11 1HE LYS 11 -11.462 0.040 1.268
32 HZ1 LYS 11 3HZ LYS 11 -10.200 1.458 2.710
33 HZ2 LYS 11 1HZ LYS 11 -11.557 2.303 2.193
34 HZ3 LYS 11 2HZ LYS 11 -10.048 2.638 1.531
35 HA PRO 12 HA PRO 12 -7.852 -2.819 -5.623
36 HB2 PRO 12 2HB PRO 12 -6.088 -0.485 -5.365
37 HB3 PRO 12 1HB PRO 12 -6.466 -1.417 -6.804
38 HG2 PRO 12 2HG PRO 12 -7.508 1.027 -6.493
39 HG3 PRO 12 1HG PRO 12 -8.460 -0.284 -7.211
40 HD2 PRO 12 2HD PRO 12 -8.589 0.859 -4.455
41 HD3 PRO 12 1HD PRO 12 -9.904 0.297 -5.507
42 H LYS 13 H LYS 13 -6.194 -3.990 -4.864
43 HA LYS 13 HA LYS 13 -5.122 -3.377 -2.228
44 HB2 LYS 13 2HB LYS 13 -6.505 -5.952 -3.016
45 HB3 LYS 13 1HB LYS 13 -5.564 -5.749 -1.542
46 HG2 LYS 13 2HG LYS 13 -7.095 -4.112 -0.713
47 HG3 LYS 13 1HG LYS 13 -7.957 -4.065 -2.245
48 HD2 LYS 13 2HD LYS 13 -8.636 -6.417 -1.885
49 HD3 LYS 13 1HD LYS 13 -7.822 -6.382 -0.320
50 HE2 LYS 13 2HE LYS 13 -9.269 -4.609 0.451
51 HE3 LYS 13 1HE LYS 13 -10.022 -4.498 -1.139
52 HZ1 LYS 13 3HZ LYS 13 -10.168 -6.876 0.640
53 HZ2 LYS 13 1HZ LYS 13 -10.943 -6.685 -0.838
54 HZ3 LYS 13 2HZ LYS 13 -11.375 -5.719 0.460
55 H CYS 14 H CYS 14 -3.215 -4.518 -1.741
56 HA CYS 14 HA CYS 14 -1.787 -5.480 -4.121
57 HB2 CYS 14 2HB CYS 14 0.218 -4.349 -3.229
58 HB3 CYS 14 1HB CYS 14 -1.093 -3.233 -3.554
59 H ARG 15 H ARG 15 0.109 -6.816 -3.592
60 HA ARG 15 HA ARG 15 -0.202 -8.428 -1.145
61 HB2 ARG 15 2HB ARG 15 0.193 -9.269 -4.019
62 HB3 ARG 15 1HB ARG 15 0.459 -10.359 -2.669
63 HG2 ARG 15 2HG ARG 15 -1.738 -10.665 -2.307
64 HG3 ARG 15 1HG ARG 15 -2.123 -8.974 -2.625
65 HD2 ARG 15 2HD ARG 15 -1.514 -11.044 -4.736
66 HD3 ARG 15 1HD ARG 15 -3.131 -10.526 -4.262
67 HE ARG 15 HE ARG 15 -1.107 -8.780 -5.493
68 HH11 ARG 15 1HH1 ARG 15 -4.538 -9.605 -4.996
69 HH12 ARG 15 2HH1 ARG 15 -5.116 -8.398 -6.041
70 HH21 ARG 15 1HH2 ARG 15 -1.926 -7.133 -6.933
71 HH22 ARG 15 2HH2 ARG 15 -3.601 -6.940 -7.146
72 H CYS 16 H CYS 16 1.496 -6.249 -1.506
73 HA CYS 16 HA CYS 16 4.170 -6.823 -2.266
74 HB2 CYS 16 2HB CYS 16 3.257 -4.875 -0.134
75 HB3 CYS 16 1HB CYS 16 4.745 -4.808 -1.063
76 H GLY 17 H GLY 17 5.945 -7.548 -0.934
77 HA2 GLY 17 2HA GLY 17 6.972 -7.951 1.151
78 HA3 GLY 17 1HA GLY 17 5.388 -7.925 1.912
79 H ILE 18 H ILE 18 4.248 -9.763 -0.084
80 HA ILE 18 HA ILE 18 5.048 -12.273 1.029
81 HB ILE 18 HB ILE 18 3.535 -11.799 -1.579
82 HG12 ILE 18 2HG1 ILE 18 2.504 -12.003 1.265
83 HG13 ILE 18 1HG1 ILE 18 2.422 -10.614 0.212
84 HG21 ILE 18 1HG2 ILE 18 2.604 -14.042 -1.173
85 HG22 ILE 18 2HG2 ILE 18 3.583 -14.183 0.283
86 HG23 ILE 18 3HG2 ILE 18 4.367 -14.094 -1.292
87 HD11 ILE 18 3HD1 ILE 18 0.259 -11.691 0.349
88 HD12 ILE 18 1HD1 ILE 18 0.961 -13.206 -0.222
89 HD13 ILE 18 2HD1 ILE 18 0.909 -11.810 -1.289
90 H SER 19 H SER 19 5.393 -10.693 -2.045
91 HA SER 19 HA SER 19 7.891 -12.094 -2.537
92 HB2 SER 19 2HB SER 19 6.170 -12.040 -4.385
93 HB3 SER 19 1HB SER 19 6.218 -10.280 -4.321
94 HG SER 19 HG SER 19 8.435 -11.950 -4.872
95 H GLY 20 H GLY 20 9.645 -10.935 -1.936
96 HA2 GLY 20 2HA GLY 20 9.225 -8.114 -1.222
97 HA3 GLY 20 1HA GLY 20 10.478 -9.156 -0.560
98 H SER 21 H SER 21 10.305 -9.817 -3.737
99 HA SER 21 HA SER 21 12.695 -8.290 -4.283
100 HB2 SER 21 2HB SER 21 11.218 -10.272 -6.014
101 HB3 SER 21 1HB SER 21 12.860 -9.669 -6.277
102 HG SER 21 HG SER 21 12.122 -10.910 -3.857
103 H SER 22 H SER 22 9.453 -7.705 -4.513
104 HA SER 22 HA SER 22 9.411 -6.169 -6.905
105 HB2 SER 22 2HB SER 22 7.247 -5.397 -5.653
106 HB3 SER 22 1HB SER 22 7.351 -7.070 -6.210
107 HG SER 22 HG SER 22 6.739 -7.203 -4.120
108 H ASN 23 H ASN 23 9.365 -5.586 -3.432
109 HA ASN 23 HA ASN 23 11.504 -3.832 -3.330
110 HB2 ASN 23 2HB ASN 23 9.748 -2.257 -4.338
111 HB3 ASN 23 1HB ASN 23 8.827 -2.473 -2.850
112 HD21 ASN 23 1HD2 ASN 23 11.679 -1.117 -4.274
113 HD22 ASN 23 2HD2 ASN 23 12.136 -0.134 -2.944
114 H THR 24 H THR 24 11.917 -3.397 -1.038
115 HA THR 24 HA THR 24 10.292 -5.199 0.607
116 HB THR 24 HB THR 24 13.181 -4.416 1.005
117 HG1 THR 24 1HG THR 24 11.955 -6.307 -0.552
118 HG21 THR 24 3HG2 THR 24 11.989 -5.008 3.100
119 HG22 THR 24 1HG2 THR 24 13.213 -6.205 2.667
120 HG23 THR 24 2HG2 THR 24 11.517 -6.541 2.355
121 H LEU 25 H LEU 25 12.272 -2.201 1.074
122 HA LEU 25 HA LEU 25 10.996 -1.898 3.656
123 HB2 LEU 25 2HB LEU 25 13.278 -0.378 2.422
124 HB3 LEU 25 1HB LEU 25 12.702 -0.204 4.073
125 HG LEU 25 HG LEU 25 13.864 -2.744 2.922
126 HD11 LEU 25 1HD1 LEU 25 15.808 -2.279 4.271
127 HD12 LEU 25 2HD1 LEU 25 15.098 -0.771 4.818
128 HD13 LEU 25 3HD1 LEU 25 15.536 -0.976 3.114
129 HD21 LEU 25 3HD2 LEU 25 12.288 -3.205 4.718
130 HD22 LEU 25 1HD2 LEU 25 13.077 -2.003 5.743
131 HD23 LEU 25 2HD2 LEU 25 13.939 -3.461 5.280
132 H THR 26 H THR 26 10.478 -0.733 0.598
133 HA THR 26 HA THR 26 8.724 1.326 1.718
134 HB THR 26 HB THR 26 9.129 2.577 -0.520
135 HG1 THR 26 1HG THR 26 10.603 0.574 -1.070
136 HG21 THR 26 3HG2 THR 26 9.871 3.482 1.622
137 HG22 THR 26 1HG2 THR 26 11.085 3.788 0.379
138 HG23 THR 26 2HG2 THR 26 11.329 2.494 1.553
139 H THR 27 H THR 27 8.076 -1.348 1.222
140 HA THR 27 HA THR 27 7.243 -2.356 -1.097
141 HB THR 27 HB THR 27 5.204 -3.064 0.450
142 HG1 THR 27 1HG THR 27 6.682 -2.991 2.611
143 HG21 THR 27 3HG2 THR 27 8.051 -3.995 0.897
144 HG22 THR 27 1HG2 THR 27 6.956 -4.584 -0.360
145 HG23 THR 27 2HG2 THR 27 6.579 -4.879 1.331
146 H CYS 28 H CYS 28 5.043 -0.652 1.005
147 HA CYS 28 HA CYS 28 3.247 -0.243 -1.198
148 HB2 CYS 28 2HB CYS 28 2.864 0.123 1.739
149 HB3 CYS 28 1HB CYS 28 1.624 0.440 0.526
150 H ARG 29 H ARG 29 5.687 1.472 -0.055
151 HA ARG 29 HA ARG 29 4.330 4.050 -0.238
152 HB2 ARG 29 2HB ARG 29 5.859 3.616 1.688
153 HB3 ARG 29 1HB ARG 29 7.200 3.522 0.556
154 HG2 ARG 29 2HG ARG 29 6.854 5.841 -0.078
155 HG3 ARG 29 1HG ARG 29 5.455 5.936 0.981
156 HD2 ARG 29 2HD ARG 29 6.943 5.405 2.899
157 HD3 ARG 29 1HD ARG 29 8.328 5.517 1.807
158 HE ARG 29 HE ARG 29 7.415 7.840 1.344
159 HH11 ARG 29 1HH1 ARG 29 7.295 6.278 4.513
160 HH12 ARG 29 2HH1 ARG 29 7.087 7.723 5.382
161 HH21 ARG 29 1HH2 ARG 29 7.146 9.819 2.530
162 HH22 ARG 29 2HH2 ARG 29 7.041 9.794 4.223
163 H ASN 30 H ASN 30 6.062 2.027 -2.169
164 HA ASN 30 HA ASN 30 7.149 4.233 -3.759
165 HB2 ASN 30 2HB ASN 30 8.572 2.700 -4.904
166 HB3 ASN 30 1HB ASN 30 8.581 2.166 -3.234
167 HD21 ASN 30 1HD2 ASN 30 7.559 0.200 -2.727
168 HD22 ASN 30 2HD2 ASN 30 7.126 -0.930 -3.957
169 H SER 31 H SER 31 6.866 4.091 -6.182
170 HA SER 31 HA SER 31 4.106 4.328 -6.651
171 HB2 SER 31 2HB SER 31 6.389 4.351 -8.606
172 HB3 SER 31 1HB SER 31 4.751 4.932 -8.901
173 HG SER 31 HG SER 31 5.591 6.721 -8.252
174 H ARG 32 H ARG 32 6.093 1.537 -6.904
175 HA ARG 32 HA ARG 32 4.513 0.375 -8.986
176 HB2 ARG 32 2HB ARG 32 6.527 -0.899 -7.148
177 HB3 ARG 32 1HB ARG 32 5.728 -1.729 -8.476
178 HG2 ARG 32 2HG ARG 32 7.584 0.633 -8.710
179 HG3 ARG 32 1HG ARG 32 7.971 -1.044 -9.094
180 HD2 ARG 32 2HD ARG 32 5.954 0.721 -10.488
181 HD3 ARG 32 1HD ARG 32 7.499 0.165 -11.121
182 HE ARG 32 HE ARG 32 5.404 -1.761 -10.414
183 HH11 ARG 32 1HH1 ARG 32 7.430 -0.282 -12.918
184 HH12 ARG 32 2HH1 ARG 32 7.116 -1.510 -14.052
185 HH21 ARG 32 1HH2 ARG 32 4.943 -3.382 -12.011
186 HH22 ARG 32 2HH2 ARG 32 5.692 -3.296 -13.537
187 H CYS 33 H CYS 33 4.078 0.896 -5.725
188 HA CYS 33 HA CYS 33 2.285 -1.334 -5.431
189 HB2 CYS 33 2HB CYS 33 3.579 -0.596 -3.465
190 HB3 CYS 33 1HB CYS 33 2.851 1.003 -3.588
191 HA PRO 34 HA PRO 34 -0.859 1.041 -7.512
192 HB2 PRO 34 2HB PRO 34 -2.989 -0.460 -6.549
193 HB3 PRO 34 1HB PRO 34 -2.035 -0.888 -7.979
194 HG2 PRO 34 2HG PRO 34 -1.849 -1.873 -5.170
195 HG3 PRO 34 1HG PRO 34 -1.684 -2.781 -6.682
196 HD2 PRO 34 2HD PRO 34 0.436 -2.083 -5.224
197 HD3 PRO 34 1HD PRO 34 0.512 -2.065 -7.001
198 H CYS 35 H CYS 35 -0.993 0.204 -4.162
199 HA CYS 35 HA CYS 35 -3.149 1.767 -3.420
200 HB2 CYS 35 2HB CYS 35 -0.873 0.655 -1.859
201 HB3 CYS 35 1HB CYS 35 -2.088 1.660 -1.093
202 H TYR 36 H TYR 36 0.264 2.539 -3.200
203 HA TYR 36 HA TYR 36 -0.052 5.033 -1.955
204 HB2 TYR 36 2HB TYR 36 2.093 3.780 -2.127
205 HB3 TYR 36 1HB TYR 36 2.175 4.213 -3.830
206 HD1 TYR 36 2HD TYR 36 2.043 5.657 -0.426
207 HD2 TYR 36 1HD TYR 36 3.168 6.253 -4.479
208 HE1 TYR 36 2HE TYR 36 3.177 7.740 0.205
209 HE2 TYR 36 1HE TYR 36 4.309 8.340 -3.862
210 HH TYR 36 HH TYR 36 4.225 9.988 -2.081
211 H LYS 37 H LYS 37 0.226 4.206 -5.410
212 HA LYS 37 HA LYS 37 0.104 6.871 -6.237
213 HB2 LYS 37 2HB LYS 37 0.308 4.203 -7.367
214 HB3 LYS 37 1HB LYS 37 -0.285 5.418 -8.462
215 HG2 LYS 37 2HG LYS 37 2.306 5.459 -6.884
216 HG3 LYS 37 1HG LYS 37 2.171 5.082 -8.605
217 HD2 LYS 37 2HD LYS 37 1.510 7.754 -7.316
218 HD3 LYS 37 1HD LYS 37 2.981 7.374 -8.196
219 HE2 LYS 37 2HE LYS 37 1.670 6.950 -10.220
220 HE3 LYS 37 1HE LYS 37 0.188 7.325 -9.341
221 HZ1 LYS 37 3HZ LYS 37 2.421 9.232 -9.830
222 HZ2 LYS 37 1HZ LYS 37 0.999 9.574 -9.010
223 HZ3 LYS 37 2HZ LYS 37 0.937 9.230 -10.644
224 H SER 38 H SER 38 -2.346 4.446 -5.642
225 HA SER 38 HA SER 38 -4.289 6.091 -7.098
226 HB2 SER 38 2HB SER 38 -4.764 3.359 -5.910
227 HB3 SER 38 1HB SER 38 -5.702 4.177 -7.163
228 HG SER 38 HG SER 38 -3.167 3.054 -7.248
229 H TYR 39 H TYR 39 -3.023 5.967 -4.142
230 HA TYR 39 HA TYR 39 -3.516 6.806 -2.116
231 HB2 TYR 39 2HB TYR 39 -6.063 7.878 -3.353
232 HB3 TYR 39 1HB TYR 39 -5.240 8.509 -1.924
233 HD1 TYR 39 2HD TYR 39 -2.634 9.113 -2.458
234 HD2 TYR 39 1HD TYR 39 -5.799 9.068 -5.293
235 HE1 TYR 39 2HE TYR 39 -1.330 10.586 -3.932
236 HE2 TYR 39 1HE TYR 39 -4.503 10.524 -6.776
237 HH TYR 39 HH TYR 39 -2.711 12.154 -6.576
238 H ASN 40 H ASN 40 -4.102 4.222 -2.565
239 HA ASN 40 HA ASN 40 -6.715 3.597 -1.384
240 HB2 ASN 40 2HB ASN 40 -4.591 1.638 -2.294
241 HB3 ASN 40 1HB ASN 40 -6.251 1.313 -1.911
242 HD21 ASN 40 1HD2 ASN 40 -7.484 3.406 -3.321
243 HD22 ASN 40 2HD2 ASN 40 -7.308 3.105 -4.996
244 H SER 41 H SER 41 -6.830 2.350 0.511
245 HA SER 41 HA SER 41 -4.539 2.566 2.233
246 HB2 SER 41 2HB SER 41 -6.405 1.977 3.897
247 HB3 SER 41 1HB SER 41 -6.465 3.570 3.129
248 HG SER 41 HG SER 41 -8.299 1.698 3.128
249 H CYS 42 H CYS 42 -3.873 0.680 3.385
250 HA CYS 42 HA CYS 42 -4.192 -1.706 1.790
251 HB2 CYS 42 2HB CYS 42 -2.219 -0.949 3.913
252 HB3 CYS 42 1HB CYS 42 -2.334 -2.595 3.288
253 H ALA 43 H ALA 43 -6.310 -0.860 3.611
254 HA ALA 43 HA ALA 43 -6.414 -2.958 5.589
255 HB1 ALA 43 1HB ALA 43 -8.678 -2.123 6.043
256 HB2 ALA 43 2HB ALA 43 -8.548 -1.028 4.669
257 HB3 ALA 43 3HB ALA 43 -7.496 -0.818 6.072
258 H GLY 44 H GLY 44 -6.617 -4.919 4.825
259 HA2 GLY 44 2HA GLY 44 -8.084 -6.594 3.931
260 HA3 GLY 44 1HA GLY 44 -8.623 -5.411 2.739
261 H CYS 45 H CYS 45 -5.482 -4.814 2.916
262 HA CYS 45 HA CYS 45 -4.888 -6.310 0.515
263 HB2 CYS 45 2HB CYS 45 -3.148 -4.469 2.175
264 HB3 CYS 45 1HB CYS 45 -2.633 -5.229 0.680
265 H HIS 46 H HIS 46 -3.010 -7.707 0.339
266 HA HIS 46 HA HIS 46 -2.649 -9.204 2.825
267 HB2 HIS 46 2HB HIS 46 -2.751 -10.129 -0.020
268 HB3 HIS 46 1HB HIS 46 -1.867 -11.075 1.173
269 HD1 HIS 46 1HD HIS 46 -3.219 -12.790 2.300
270 HD2 HIS 46 2HD HIS 46 -5.566 -9.629 0.987
271 HE1 HIS 46 1HE HIS 46 -5.564 -13.405 2.889
272 HE2 HIS 46 2HE HIS 46 -6.975 -11.586 1.946
273 H CYS 47 H CYS 47 -1.237 -6.890 1.742
274 HA CYS 47 HA CYS 47 1.397 -7.781 1.236
275 HB2 CYS 47 2HB CYS 47 1.982 -5.375 1.737
276 HB3 CYS 47 1HB CYS 47 0.943 -5.660 0.356
277 H VAL 48 H VAL 48 2.966 -8.104 2.520
278 HA VAL 48 HA VAL 48 2.399 -8.160 5.404
279 HB VAL 48 HB VAL 48 4.550 -9.692 3.902
280 HG11 VAL 48 1HG1 VAL 48 5.121 -9.307 6.236
281 HG12 VAL 48 2HG1 VAL 48 4.765 -11.011 5.957
282 HG13 VAL 48 3HG1 VAL 48 3.571 -9.979 6.742
283 HG21 VAL 48 3HG2 VAL 48 2.335 -10.471 3.237
284 HG22 VAL 48 1HG2 VAL 48 1.885 -10.677 4.929
285 HG23 VAL 48 2HG2 VAL 48 3.148 -11.684 4.225
286 H GLY 49 H GLY 49 3.290 -6.633 6.540
287 HA2 GLY 49 2HA GLY 49 4.786 -5.086 7.316
288 HA3 GLY 49 1HA GLY 49 6.022 -5.919 6.378
289 H CYS 50 H CYS 50 3.078 -4.138 5.521
290 HA CYS 50 HA CYS 50 4.552 -2.918 3.367
291 HB2 CYS 50 2HB CYS 50 2.542 -2.108 2.546
292 HB3 CYS 50 1HB CYS 50 2.121 -3.695 3.178
293 H LYS 51 H LYS 51 5.347 -0.932 3.389
294 HA LYS 51 HA LYS 51 4.702 0.747 5.712
295 HB2 LYS 51 2HB LYS 51 6.826 1.079 3.571
296 HB3 LYS 51 1HB LYS 51 6.574 2.171 4.918
297 HG2 LYS 51 2HG LYS 51 7.371 -0.721 5.175
298 HG3 LYS 51 1HG LYS 51 8.491 0.634 5.223
299 HD2 LYS 51 2HD LYS 51 7.187 1.522 7.171
300 HD3 LYS 51 1HD LYS 51 6.256 0.025 7.160
301 HE2 LYS 51 2HE LYS 51 8.016 -0.139 8.808
302 HE3 LYS 51 1HE LYS 51 8.358 -1.245 7.478
303 HZ1 LYS 51 3HZ LYS 51 9.626 1.404 7.961
304 HZ2 LYS 51 1HZ LYS 51 9.923 0.463 6.598
305 HZ3 LYS 51 2HZ LYS 51 10.350 -0.104 8.113
306 H ASN 52 H ASN 52 2.659 1.430 5.071
307 HA ASN 52 HA ASN 52 2.595 3.022 2.616
308 HB2 ASN 52 2HB ASN 52 0.953 1.083 2.834
309 HB3 ASN 52 1HB ASN 52 0.198 1.971 4.146
310 HD21 ASN 52 1HD2 ASN 52 -1.027 1.188 1.718
311 HD22 ASN 52 2HD2 ASN 52 -1.527 2.623 0.905
312 HA PRO 53 HA PRO 53 2.518 6.472 5.573
313 HB2 PRO 53 2HB PRO 53 1.854 7.871 3.025
314 HB3 PRO 53 1HB PRO 53 3.056 8.296 4.252
315 HG2 PRO 53 2HG PRO 53 3.869 7.246 1.982
316 HG3 PRO 53 1HG PRO 53 4.569 6.689 3.509
317 HD2 PRO 53 2HD PRO 53 2.493 5.359 1.806
318 HD3 PRO 53 1HD PRO 53 3.899 4.652 2.634
319 H HIS 54 H HIS 54 0.127 5.536 3.229
320 HA HIS 54 HA HIS 54 -1.947 7.285 4.248
321 HB2 HIS 54 2HB HIS 54 -2.072 5.005 2.255
322 HB3 HIS 54 1HB HIS 54 -3.438 6.014 2.675
323 HD1 HIS 54 1HD HIS 54 -3.585 8.304 1.526
324 HD2 HIS 54 2HD HIS 54 -0.093 6.236 0.655
325 HE1 HIS 54 1HE HIS 54 -2.551 9.513 -0.409
326 HE2 HIS 54 2HE HIS 54 -0.322 8.441 -0.688
327 H LYS 55 H LYS 55 -3.717 6.599 5.435
328 HA LYS 55 HA LYS 55 -3.536 3.913 6.577
329 HB2 LYS 55 2HB LYS 55 -2.791 5.637 8.208
330 HB3 LYS 55 1HB LYS 55 -4.329 6.466 8.005
331 HG2 LYS 55 2HG LYS 55 -5.499 4.490 8.885
332 HG3 LYS 55 1HG LYS 55 -3.955 3.683 9.114
333 HD2 LYS 55 2HD LYS 55 -4.723 4.600 11.216
334 HD3 LYS 55 1HD LYS 55 -3.291 5.471 10.673
335 HE2 LYS 55 2HE LYS 55 -4.638 7.317 9.910
336 HE3 LYS 55 1HE LYS 55 -6.122 6.433 10.249
337 HZ1 LYS 55 3HZ LYS 55 -5.613 6.507 12.580
338 HZ2 LYS 55 1HZ LYS 55 -5.578 8.070 11.959
339 HZ3 LYS 55 2HZ LYS 55 -4.136 7.259 12.302
340 H GLU 56 H GLU 56 -5.521 2.942 6.949
341 HA GLU 56 HA GLU 56 -7.667 3.621 5.264
342 HB2 GLU 56 2HB GLU 56 -7.201 1.344 6.020
343 HB3 GLU 56 1HB GLU 56 -7.557 1.810 7.677
344 HG2 GLU 56 2HG GLU 56 -9.396 0.572 6.650
345 HG3 GLU 56 1HG GLU 56 -9.872 2.210 7.089
346 H ASP 57 H ASP 57 -9.495 4.792 5.643
347 HA ASP 57 HA ASP 57 -10.111 5.694 8.313
348 HB2 ASP 57 2HB ASP 57 -8.511 7.398 7.250
349 HB3 ASP 57 1HB ASP 57 -9.794 7.723 6.088
350 H TYR 58 H TYR 58 -12.251 6.211 8.521
351 HA TYR 58 HA TYR 58 -13.911 4.628 6.961
352 HB2 TYR 58 2HB TYR 58 -15.751 5.346 8.347
353 HB3 TYR 58 1HB TYR 58 -14.323 5.121 9.341
354 HD1 TYR 58 1HD TYR 58 -12.952 7.379 9.831
355 HD2 TYR 58 2HD TYR 58 -17.032 7.221 8.624
356 HE1 TYR 58 1HE TYR 58 -13.314 9.626 10.757
357 HE2 TYR 58 2HE TYR 58 -17.395 9.457 9.540
358 HH TYR 58 HH TYR 58 -14.865 11.507 10.426
359 H VAL 59 H VAL 59 -14.447 4.923 4.952
360 HA VAL 59 HA VAL 59 -15.668 7.471 4.192
361 HB VAL 59 HB VAL 59 -14.288 5.467 2.341
362 HG11 VAL 59 1HG1 VAL 59 -16.199 6.556 1.281
363 HG12 VAL 59 2HG1 VAL 59 -14.681 7.097 0.568
364 HG13 VAL 59 3HG1 VAL 59 -15.540 8.137 1.704
365 HG21 VAL 59 3HG2 VAL 59 -13.449 8.267 3.074
366 HG22 VAL 59 1HG2 VAL 59 -12.630 7.206 1.932
367 HG23 VAL 59 2HG2 VAL 59 -12.677 6.791 3.650
Start of MODEL 12
1 H1 SER 8 1HT SER 8 -21.488 -2.176 -5.888
2 H2 SER 8 2HT SER 8 -20.048 -3.075 -5.767
3 H3 SER 8 3HT SER 8 -20.398 -2.249 -7.185
4 HA SER 8 HA SER 8 -20.150 -0.178 -6.110
5 HB2 SER 8 2HB SER 8 -20.968 -0.994 -3.859
6 HB3 SER 8 1HB SER 8 -19.447 -1.854 -3.658
7 HG SER 8 HG SER 8 -18.690 -0.108 -2.888
8 HA PRO 9 HA PRO 9 -16.166 -0.841 -7.846
9 HB2 PRO 9 2HB PRO 9 -14.973 1.528 -7.094
10 HB3 PRO 9 1HB PRO 9 -16.039 1.350 -8.488
11 HG2 PRO 9 2HG PRO 9 -16.654 2.358 -5.744
12 HG3 PRO 9 1HG PRO 9 -17.222 2.963 -7.311
13 HD2 PRO 9 2HD PRO 9 -18.778 1.457 -5.739
14 HD3 PRO 9 1HD PRO 9 -18.830 1.307 -7.508
15 HA PRO 10 HA PRO 10 -14.030 -2.372 -4.163
16 HB2 PRO 10 2HB PRO 10 -12.292 -3.565 -6.227
17 HB3 PRO 10 1HB PRO 10 -13.164 -4.353 -4.912
18 HG2 PRO 10 2HG PRO 10 -13.976 -4.641 -7.426
19 HG3 PRO 10 1HG PRO 10 -15.152 -4.447 -6.113
20 HD2 PRO 10 2HD PRO 10 -14.166 -2.400 -8.072
21 HD3 PRO 10 1HD PRO 10 -15.822 -2.749 -7.520
22 H LYS 11 H LYS 11 -12.304 -1.638 -3.135
23 HA LYS 11 HA LYS 11 -10.738 0.480 -4.236
24 HB2 LYS 11 2HB LYS 11 -9.650 0.498 -2.015
25 HB3 LYS 11 1HB LYS 11 -11.402 0.512 -1.868
26 HG2 LYS 11 2HG LYS 11 -11.390 -1.876 -1.358
27 HG3 LYS 11 1HG LYS 11 -9.650 -1.919 -1.573
28 HD2 LYS 11 2HD LYS 11 -11.035 -0.242 0.523
29 HD3 LYS 11 1HD LYS 11 -10.454 -1.876 0.819
30 HE2 LYS 11 2HE LYS 11 -8.720 -0.567 1.629
31 HE3 LYS 11 1HE LYS 11 -8.176 -0.946 0.009
32 HZ1 LYS 11 3HZ LYS 11 -9.435 1.599 0.878
33 HZ2 LYS 11 1HZ LYS 11 -8.886 1.321 -0.703
34 HZ3 LYS 11 2HZ LYS 11 -7.831 1.352 0.614
35 HA PRO 12 HA PRO 12 -7.236 -1.890 -5.775
36 HB2 PRO 12 2HB PRO 12 -5.572 0.122 -4.458
37 HB3 PRO 12 1HB PRO 12 -5.568 -0.335 -6.144
38 HG2 PRO 12 2HG PRO 12 -6.633 2.006 -5.354
39 HG3 PRO 12 1HG PRO 12 -7.278 1.082 -6.720
40 HD2 PRO 12 2HD PRO 12 -8.370 1.454 -3.997
41 HD3 PRO 12 1HD PRO 12 -9.213 1.143 -5.530
42 H LYS 13 H LYS 13 -5.981 -3.394 -4.931
43 HA LYS 13 HA LYS 13 -5.273 -3.389 -2.091
44 HB2 LYS 13 2HB LYS 13 -6.641 -5.709 -3.508
45 HB3 LYS 13 1HB LYS 13 -6.007 -5.744 -1.864
46 HG2 LYS 13 2HG LYS 13 -7.603 -4.058 -1.178
47 HG3 LYS 13 1HG LYS 13 -8.201 -3.930 -2.828
48 HD2 LYS 13 2HD LYS 13 -8.980 -6.251 -2.716
49 HD3 LYS 13 1HD LYS 13 -8.374 -6.369 -1.060
50 HE2 LYS 13 2HE LYS 13 -9.823 -4.509 -0.404
51 HE3 LYS 13 1HE LYS 13 -10.461 -4.431 -2.038
52 HZ1 LYS 13 3HZ LYS 13 -11.879 -5.609 -0.464
53 HZ2 LYS 13 1HZ LYS 13 -10.714 -6.787 -0.250
54 HZ3 LYS 13 2HZ LYS 13 -11.465 -6.590 -1.762
55 H CYS 14 H CYS 14 -3.470 -4.850 -1.642
56 HA CYS 14 HA CYS 14 -2.011 -5.575 -4.050
57 HB2 CYS 14 2HB CYS 14 0.021 -4.488 -3.219
58 HB3 CYS 14 1HB CYS 14 -1.282 -3.339 -3.512
59 H ARG 15 H ARG 15 -0.257 -6.973 -3.685
60 HA ARG 15 HA ARG 15 -0.410 -8.556 -1.201
61 HB2 ARG 15 2HB ARG 15 0.212 -9.444 -4.033
62 HB3 ARG 15 1HB ARG 15 0.170 -10.491 -2.624
63 HG2 ARG 15 2HG ARG 15 -2.203 -10.101 -2.353
64 HG3 ARG 15 1HG ARG 15 -2.183 -8.941 -3.674
65 HD2 ARG 15 2HD ARG 15 -1.554 -10.699 -5.226
66 HD3 ARG 15 1HD ARG 15 -1.532 -11.872 -3.904
67 HE ARG 15 HE ARG 15 -4.013 -10.672 -3.859
68 HH11 ARG 15 1HH1 ARG 15 -2.194 -12.618 -6.183
69 HH12 ARG 15 2HH1 ARG 15 -3.563 -13.404 -6.813
70 HH21 ARG 15 1HH2 ARG 15 -5.907 -11.743 -4.730
71 HH22 ARG 15 2HH2 ARG 15 -5.731 -12.870 -5.985
72 H CYS 16 H CYS 16 1.224 -6.310 -1.517
73 HA CYS 16 HA CYS 16 3.867 -6.836 -2.447
74 HB2 CYS 16 2HB CYS 16 2.999 -4.818 -0.359
75 HB3 CYS 16 1HB CYS 16 4.499 -4.807 -1.278
76 H GLY 17 H GLY 17 5.796 -7.050 -1.092
77 HA2 GLY 17 2HA GLY 17 6.743 -7.201 1.141
78 HA3 GLY 17 1HA GLY 17 5.259 -7.983 1.656
79 H ILE 18 H ILE 18 5.378 -9.478 -0.958
80 HA ILE 18 HA ILE 18 6.651 -11.809 0.082
81 HB ILE 18 HB ILE 18 5.738 -11.338 -2.788
82 HG12 ILE 18 2HG1 ILE 18 4.167 -12.343 -0.381
83 HG13 ILE 18 1HG1 ILE 18 3.927 -10.840 -1.239
84 HG21 ILE 18 1HG2 ILE 18 6.110 -13.899 -1.218
85 HG22 ILE 18 2HG2 ILE 18 7.154 -13.321 -2.517
86 HG23 ILE 18 3HG2 ILE 18 5.487 -13.782 -2.865
87 HD11 ILE 18 3HD1 ILE 18 3.236 -12.058 -3.240
88 HD12 ILE 18 1HD1 ILE 18 2.230 -12.460 -1.847
89 HD13 ILE 18 2HD1 ILE 18 3.474 -13.585 -2.394
90 H SER 19 H SER 19 7.575 -9.246 -2.051
91 HA SER 19 HA SER 19 10.270 -10.370 -2.185
92 HB2 SER 19 2HB SER 19 9.019 -8.284 -3.982
93 HB3 SER 19 1HB SER 19 10.580 -9.087 -4.185
94 HG SER 19 HG SER 19 9.018 -11.035 -4.022
95 H GLY 20 H GLY 20 10.905 -9.530 -0.196
96 HA2 GLY 20 2HA GLY 20 10.792 -6.602 0.008
97 HA3 GLY 20 1HA GLY 20 10.463 -7.649 1.377
98 H SER 21 H SER 21 12.968 -8.086 -1.054
99 HA SER 21 HA SER 21 14.986 -8.595 0.827
100 HB2 SER 21 2HB SER 21 15.280 -7.703 -2.049
101 HB3 SER 21 1HB SER 21 16.417 -8.678 -1.113
102 HG SER 21 HG SER 21 15.073 -10.368 -1.187
103 H SER 22 H SER 22 14.743 -5.895 -1.495
104 HA SER 22 HA SER 22 16.104 -4.175 0.447
105 HB2 SER 22 2HB SER 22 17.091 -4.412 -1.863
106 HB3 SER 22 1HB SER 22 15.607 -3.736 -2.521
107 HG SER 22 HG SER 22 17.193 -2.401 -0.603
108 H ASN 23 H ASN 23 13.173 -4.947 -0.960
109 HA ASN 23 HA ASN 23 11.901 -2.367 -0.523
110 HB2 ASN 23 2HB ASN 23 11.483 -3.522 -2.654
111 HB3 ASN 23 1HB ASN 23 10.992 -4.967 -1.797
112 HD21 ASN 23 1HD2 ASN 23 8.935 -5.220 -1.304
113 HD22 ASN 23 2HD2 ASN 23 7.688 -4.064 -1.633
114 H THR 24 H THR 24 12.503 -2.821 1.807
115 HA THR 24 HA THR 24 10.660 -4.678 3.166
116 HB THR 24 HB THR 24 12.977 -3.263 4.469
117 HG1 THR 24 1HG THR 24 13.096 -5.693 2.934
118 HG21 THR 24 3HG2 THR 24 11.704 -5.983 4.890
119 HG22 THR 24 1HG2 THR 24 11.425 -4.557 5.892
120 HG23 THR 24 2HG2 THR 24 13.020 -5.307 5.844
121 H LEU 25 H LEU 25 11.712 -1.333 3.063
122 HA LEU 25 HA LEU 25 9.588 -0.548 4.938
123 HB2 LEU 25 2HB LEU 25 12.045 0.944 4.009
124 HB3 LEU 25 1HB LEU 25 10.748 1.710 4.882
125 HG LEU 25 HG LEU 25 11.235 0.141 6.792
126 HD11 LEU 25 1HD1 LEU 25 12.434 -1.595 5.601
127 HD12 LEU 25 2HD1 LEU 25 13.421 -0.916 6.894
128 HD13 LEU 25 3HD1 LEU 25 13.733 -0.467 5.221
129 HD21 LEU 25 3HD2 LEU 25 13.186 1.424 7.531
130 HD22 LEU 25 1HD2 LEU 25 11.938 2.437 6.804
131 HD23 LEU 25 2HD2 LEU 25 13.387 2.029 5.889
132 H THR 26 H THR 26 10.940 -0.082 1.747
133 HA THR 26 HA THR 26 9.164 1.987 0.974
134 HB THR 26 HB THR 26 10.384 1.366 -1.235
135 HG1 THR 26 1HG THR 26 12.017 -0.019 -1.016
136 HG21 THR 26 3HG2 THR 26 12.377 2.614 -0.488
137 HG22 THR 26 1HG2 THR 26 11.924 2.341 1.192
138 HG23 THR 26 2HG2 THR 26 10.914 3.351 0.161
139 H THR 27 H THR 27 8.451 -1.070 1.596
140 HA THR 27 HA THR 27 7.772 -2.538 -0.572
141 HB THR 27 HB THR 27 6.228 -2.379 2.000
142 HG1 THR 27 1HG THR 27 8.624 -3.847 1.584
143 HG21 THR 27 3HG2 THR 27 6.994 -4.687 0.197
144 HG22 THR 27 1HG2 THR 27 5.382 -3.988 0.361
145 HG23 THR 27 2HG2 THR 27 6.121 -4.828 1.727
146 H CYS 28 H CYS 28 5.298 -0.831 1.348
147 HA CYS 28 HA CYS 28 3.671 -0.660 -1.017
148 HB2 CYS 28 2HB CYS 28 3.043 -0.334 1.883
149 HB3 CYS 28 1HB CYS 28 1.899 0.198 0.653
150 H ARG 29 H ARG 29 5.961 1.121 0.178
151 HA ARG 29 HA ARG 29 4.640 3.724 0.012
152 HB2 ARG 29 2HB ARG 29 6.087 2.992 1.958
153 HB3 ARG 29 1HB ARG 29 7.454 3.111 0.867
154 HG2 ARG 29 2HG ARG 29 7.009 5.472 0.542
155 HG3 ARG 29 1HG ARG 29 5.616 5.367 1.620
156 HD2 ARG 29 2HD ARG 29 7.138 4.598 3.413
157 HD3 ARG 29 1HD ARG 29 8.497 4.865 2.322
158 HE ARG 29 HE ARG 29 6.886 7.157 2.494
159 HH11 ARG 29 1HH1 ARG 29 9.387 5.363 4.232
160 HH12 ARG 29 2HH1 ARG 29 9.883 6.677 5.185
161 HH21 ARG 29 1HH2 ARG 29 7.543 8.971 3.823
162 HH22 ARG 29 2HH2 ARG 29 8.811 8.782 4.933
163 H ASN 30 H ASN 30 5.446 2.012 -2.363
164 HA ASN 30 HA ASN 30 6.916 4.154 -3.682
165 HB2 ASN 30 2HB ASN 30 8.300 2.678 -4.958
166 HB3 ASN 30 1HB ASN 30 8.428 2.136 -3.292
167 HD21 ASN 30 1HD2 ASN 30 7.573 0.120 -2.742
168 HD22 ASN 30 2HD2 ASN 30 7.063 -1.008 -3.931
169 H SER 31 H SER 31 6.637 3.993 -6.108
170 HA SER 31 HA SER 31 3.858 4.262 -6.502
171 HB2 SER 31 2HB SER 31 6.097 4.429 -8.503
172 HB3 SER 31 1HB SER 31 4.449 5.024 -8.730
173 HG SER 31 HG SER 31 6.438 5.936 -6.942
174 H ARG 32 H ARG 32 5.721 1.437 -6.773
175 HA ARG 32 HA ARG 32 4.110 0.350 -8.911
176 HB2 ARG 32 2HB ARG 32 6.328 -0.837 -7.250
177 HB3 ARG 32 1HB ARG 32 5.411 -1.767 -8.427
178 HG2 ARG 32 2HG ARG 32 6.890 0.747 -9.165
179 HG3 ARG 32 1HG ARG 32 7.658 -0.839 -9.175
180 HD2 ARG 32 2HD ARG 32 6.902 -0.265 -11.409
181 HD3 ARG 32 1HD ARG 32 5.985 -1.631 -10.794
182 HE ARG 32 HE ARG 32 4.887 1.095 -10.681
183 HH11 ARG 32 1HH1 ARG 32 4.675 -2.222 -11.935
184 HH12 ARG 32 2HH1 ARG 32 3.120 -2.027 -12.592
185 HH21 ARG 32 1HH2 ARG 32 2.724 1.334 -11.561
186 HH22 ARG 32 2HH2 ARG 32 1.950 0.047 -12.342
187 H CYS 33 H CYS 33 3.588 0.941 -5.773
188 HA CYS 33 HA CYS 33 1.983 -1.426 -5.317
189 HB2 CYS 33 2HB CYS 33 3.302 -0.556 -3.425
190 HB3 CYS 33 1HB CYS 33 2.509 1.003 -3.586
191 HA PRO 34 HA PRO 34 -1.296 0.768 -7.461
192 HB2 PRO 34 2HB PRO 34 -3.357 -0.889 -6.576
193 HB3 PRO 34 1HB PRO 34 -2.368 -1.179 -8.008
194 HG2 PRO 34 2HG PRO 34 -2.124 -2.322 -5.269
195 HG3 PRO 34 1HG PRO 34 -1.857 -3.100 -6.840
196 HD2 PRO 34 2HD PRO 34 0.184 -2.334 -5.286
197 HD3 PRO 34 1HD PRO 34 0.286 -2.209 -7.055
198 H CYS 35 H CYS 35 -1.545 -0.140 -4.114
199 HA CYS 35 HA CYS 35 -3.713 1.507 -3.379
200 HB2 CYS 35 2HB CYS 35 -1.389 0.449 -1.812
201 HB3 CYS 35 1HB CYS 35 -2.724 1.315 -1.076
202 H TYR 36 H TYR 36 -0.268 1.965 -3.137
203 HA TYR 36 HA TYR 36 -0.243 4.513 -2.001
204 HB2 TYR 36 2HB TYR 36 1.681 2.927 -2.135
205 HB3 TYR 36 1HB TYR 36 1.824 3.314 -3.843
206 HD1 TYR 36 1HD TYR 36 2.105 4.671 -0.436
207 HD2 TYR 36 2HD TYR 36 2.972 5.294 -4.547
208 HE1 TYR 36 1HE TYR 36 3.598 6.522 0.163
209 HE2 TYR 36 2HE TYR 36 4.473 7.154 -3.947
210 HH TYR 36 HH TYR 36 4.691 8.737 -2.066
211 H LYS 37 H LYS 37 -0.146 3.518 -5.440
212 HA LYS 37 HA LYS 37 0.109 6.198 -6.263
213 HB2 LYS 37 2HB LYS 37 0.345 3.616 -7.437
214 HB3 LYS 37 1HB LYS 37 -0.622 4.641 -8.472
215 HG2 LYS 37 2HG LYS 37 2.101 5.444 -7.411
216 HG3 LYS 37 1HG LYS 37 1.900 4.571 -8.920
217 HD2 LYS 37 2HD LYS 37 2.176 6.904 -9.440
218 HD3 LYS 37 1HD LYS 37 0.499 6.491 -9.752
219 HE2 LYS 37 2HE LYS 37 -0.149 7.516 -7.621
220 HE3 LYS 37 1HE LYS 37 1.551 7.880 -7.289
221 HZ1 LYS 37 3HZ LYS 37 1.520 9.347 -9.223
222 HZ2 LYS 37 1HZ LYS 37 0.349 9.778 -8.098
223 HZ3 LYS 37 2HZ LYS 37 -0.103 8.979 -9.497
224 H SER 38 H SER 38 -2.614 3.964 -5.996
225 HA SER 38 HA SER 38 -4.331 5.871 -7.328
226 HB2 SER 38 2HB SER 38 -4.925 3.172 -6.104
227 HB3 SER 38 1HB SER 38 -6.086 4.144 -7.007
228 HG SER 38 HG SER 38 -5.108 3.682 -8.819
229 H TYR 39 H TYR 39 -3.015 6.050 -4.520
230 HA TYR 39 HA TYR 39 -3.413 7.072 -2.570
231 HB2 TYR 39 2HB TYR 39 -5.661 8.278 -4.184
232 HB3 TYR 39 1HB TYR 39 -5.350 8.755 -2.522
233 HD1 TYR 39 1HD TYR 39 -3.608 8.482 -5.841
234 HD2 TYR 39 2HD TYR 39 -3.898 10.518 -2.116
235 HE1 TYR 39 1HE TYR 39 -1.948 10.131 -6.615
236 HE2 TYR 39 2HE TYR 39 -2.244 12.157 -2.875
237 HH TYR 39 HH TYR 39 -1.290 12.402 -6.116
238 H ASN 40 H ASN 40 -4.013 4.589 -2.250
239 HA ASN 40 HA ASN 40 -6.381 4.683 -0.534
240 HB2 ASN 40 2HB ASN 40 -5.634 2.480 -2.426
241 HB3 ASN 40 1HB ASN 40 -6.419 2.082 -0.910
242 HD21 ASN 40 1HD2 ASN 40 -6.970 4.757 -3.167
243 HD22 ASN 40 2HD2 ASN 40 -8.633 4.381 -3.431
244 H SER 41 H SER 41 -6.342 3.336 1.257
245 HA SER 41 HA SER 41 -3.696 2.843 2.307
246 HB2 SER 41 2HB SER 41 -5.368 2.335 4.357
247 HB3 SER 41 1HB SER 41 -4.807 3.962 3.949
248 HG SER 41 HG SER 41 -6.653 4.328 2.824
249 H CYS 42 H CYS 42 -3.420 0.798 3.597
250 HA CYS 42 HA CYS 42 -4.253 -1.277 1.806
251 HB2 CYS 42 2HB CYS 42 -1.972 -1.190 3.759
252 HB3 CYS 42 1HB CYS 42 -2.437 -2.642 2.878
253 H ALA 43 H ALA 43 -6.250 -1.117 2.696
254 HA ALA 43 HA ALA 43 -6.596 -3.015 4.922
255 HB1 ALA 43 1HB ALA 43 -7.777 -0.876 5.270
256 HB2 ALA 43 2HB ALA 43 -8.923 -2.196 5.058
257 HB3 ALA 43 3HB ALA 43 -8.605 -1.086 3.729
258 H GLY 44 H GLY 44 -7.176 -5.030 4.338
259 HA2 GLY 44 2HA GLY 44 -8.347 -6.650 3.117
260 HA3 GLY 44 1HA GLY 44 -8.728 -5.431 1.902
261 H CYS 45 H CYS 45 -5.537 -5.485 2.919
262 HA CYS 45 HA CYS 45 -4.740 -6.491 0.300
263 HB2 CYS 45 2HB CYS 45 -3.181 -4.960 2.376
264 HB3 CYS 45 1HB CYS 45 -2.560 -5.463 0.810
265 H HIS 46 H HIS 46 -2.646 -7.718 0.289
266 HA HIS 46 HA HIS 46 -2.414 -9.522 2.605
267 HB2 HIS 46 2HB HIS 46 -2.074 -10.040 -0.335
268 HB3 HIS 46 1HB HIS 46 -1.200 -11.018 0.830
269 HD1 HIS 46 1HD HIS 46 -2.399 -12.972 1.752
270 HD2 HIS 46 2HD HIS 46 -5.000 -10.261 -0.002
271 HE1 HIS 46 1HE HIS 46 -4.639 -14.084 1.767
272 HE2 HIS 46 2HE HIS 46 -6.143 -12.501 0.533
273 H CYS 47 H CYS 47 -1.205 -6.897 1.952
274 HA CYS 47 HA CYS 47 1.489 -7.405 1.270
275 HB2 CYS 47 2HB CYS 47 1.901 -5.036 1.888
276 HB3 CYS 47 1HB CYS 47 0.702 -5.321 0.635
277 H VAL 48 H VAL 48 3.054 -7.889 2.309
278 HA VAL 48 HA VAL 48 2.965 -8.127 5.233
279 HB VAL 48 HB VAL 48 4.961 -9.332 3.278
280 HG11 VAL 48 1HG1 VAL 48 4.511 -9.909 6.198
281 HG12 VAL 48 2HG1 VAL 48 5.892 -9.062 5.502
282 HG13 VAL 48 3HG1 VAL 48 5.631 -10.769 5.139
283 HG21 VAL 48 3HG2 VAL 48 2.732 -10.269 2.920
284 HG22 VAL 48 1HG2 VAL 48 2.602 -10.648 4.636
285 HG23 VAL 48 2HG2 VAL 48 3.806 -11.467 3.644
286 H GLY 49 H GLY 49 4.173 -6.772 6.443
287 HA2 GLY 49 2HA GLY 49 5.788 -5.250 7.045
288 HA3 GLY 49 1HA GLY 49 6.681 -5.716 5.603
289 H CYS 50 H CYS 50 3.464 -4.384 5.895
290 HA CYS 50 HA CYS 50 3.863 -2.616 3.711
291 HB2 CYS 50 2HB CYS 50 1.728 -3.569 3.896
292 HB3 CYS 50 1HB CYS 50 1.597 -3.135 5.594
293 H LYS 51 H LYS 51 5.179 -0.868 4.085
294 HA LYS 51 HA LYS 51 4.224 0.896 6.233
295 HB2 LYS 51 2HB LYS 51 6.733 1.090 4.522
296 HB3 LYS 51 1HB LYS 51 6.211 2.347 5.616
297 HG2 LYS 51 2HG LYS 51 8.021 1.122 6.597
298 HG3 LYS 51 1HG LYS 51 6.554 0.784 7.505
299 HD2 LYS 51 2HD LYS 51 6.321 -1.341 6.417
300 HD3 LYS 51 1HD LYS 51 7.682 -1.001 5.356
301 HE2 LYS 51 2HE LYS 51 9.169 -0.949 7.260
302 HE3 LYS 51 1HE LYS 51 7.824 -1.225 8.363
303 HZ1 LYS 51 3HZ LYS 51 9.037 -3.232 7.904
304 HZ2 LYS 51 1HZ LYS 51 8.732 -3.076 6.239
305 HZ3 LYS 51 2HZ LYS 51 7.449 -3.339 7.340
306 H ASN 52 H ASN 52 2.382 1.490 5.238
307 HA ASN 52 HA ASN 52 2.757 2.993 2.783
308 HB2 ASN 52 2HB ASN 52 1.205 1.085 2.541
309 HB3 ASN 52 1HB ASN 52 0.223 1.727 3.845
310 HD21 ASN 52 1HD2 ASN 52 -1.513 1.756 2.458
311 HD22 ASN 52 2HD2 ASN 52 -1.742 2.958 1.236
312 HA PRO 53 HA PRO 53 1.991 6.352 5.635
313 HB2 PRO 53 2HB PRO 53 2.274 8.359 3.800
314 HB3 PRO 53 1HB PRO 53 3.642 7.567 4.590
315 HG2 PRO 53 2HG PRO 53 2.507 7.122 1.875
316 HG3 PRO 53 1HG PRO 53 4.203 7.141 2.396
317 HD2 PRO 53 2HD PRO 53 2.810 4.854 1.923
318 HD3 PRO 53 1HD PRO 53 4.132 4.942 3.102
319 H HIS 54 H HIS 54 0.306 5.296 2.953
320 HA HIS 54 HA HIS 54 -1.733 7.258 2.983
321 HB2 HIS 54 2HB HIS 54 -1.349 4.750 1.499
322 HB3 HIS 54 1HB HIS 54 -3.001 5.329 1.711
323 HD1 HIS 54 1HD HIS 54 -3.612 7.517 0.667
324 HD2 HIS 54 2HD HIS 54 0.217 6.213 -0.227
325 HE1 HIS 54 1HE HIS 54 -2.803 8.997 -1.230
326 HE2 HIS 54 2HE HIS 54 -0.403 8.309 -1.563
327 H LYS 55 H LYS 55 -2.688 7.515 4.650
328 HA LYS 55 HA LYS 55 -4.708 5.612 5.211
329 HB2 LYS 55 2HB LYS 55 -4.599 6.138 7.696
330 HB3 LYS 55 1HB LYS 55 -3.211 5.239 7.131
331 HG2 LYS 55 2HG LYS 55 -2.258 6.758 8.573
332 HG3 LYS 55 1HG LYS 55 -2.081 7.591 7.035
333 HD2 LYS 55 2HD LYS 55 -4.084 8.915 7.528
334 HD3 LYS 55 1HD LYS 55 -4.267 8.064 9.064
335 HE2 LYS 55 2HE LYS 55 -2.089 8.907 9.785
336 HE3 LYS 55 1HE LYS 55 -1.912 9.750 8.250
337 HZ1 LYS 55 3HZ LYS 55 -3.858 11.086 8.812
338 HZ2 LYS 55 1HZ LYS 55 -2.661 11.233 9.982
339 HZ3 LYS 55 2HZ LYS 55 -4.017 10.283 10.281
340 H GLU 56 H GLU 56 -6.409 6.585 4.577
341 HA GLU 56 HA GLU 56 -6.171 9.278 3.800
342 HB2 GLU 56 2HB GLU 56 -8.394 7.288 3.585
343 HB3 GLU 56 1HB GLU 56 -8.656 8.973 3.178
344 HG2 GLU 56 2HG GLU 56 -8.173 7.650 1.184
345 HG3 GLU 56 1HG GLU 56 -6.924 8.853 1.458
346 H ASP 57 H ASP 57 -7.154 11.048 4.437
347 HA ASP 57 HA ASP 57 -7.266 11.164 7.270
348 HB2 ASP 57 2HB ASP 57 -6.198 12.917 5.867
349 HB3 ASP 57 1HB ASP 57 -7.795 13.389 5.312
350 H TYR 58 H TYR 58 -9.550 11.035 4.842
351 HA TYR 58 HA TYR 58 -11.713 12.011 6.368
352 HB2 TYR 58 2HB TYR 58 -13.264 10.836 4.768
353 HB3 TYR 58 1HB TYR 58 -12.147 11.944 4.010
354 HD1 TYR 58 2HD TYR 58 -12.854 8.354 4.617
355 HD2 TYR 58 1HD TYR 58 -10.709 11.178 2.280
356 HE1 TYR 58 2HE TYR 58 -12.242 6.580 3.042
357 HE2 TYR 58 1HE TYR 58 -10.100 9.415 0.697
358 HH TYR 58 HH TYR 58 -11.617 6.426 0.710
359 H VAL 59 H VAL 59 -12.663 11.290 7.962
360 HA VAL 59 HA VAL 59 -12.306 8.521 8.705
361 HB VAL 59 HB VAL 59 -13.017 9.345 11.043
362 HG11 VAL 59 1HG1 VAL 59 -10.458 10.397 9.830
363 HG12 VAL 59 2HG1 VAL 59 -10.707 8.776 10.479
364 HG13 VAL 59 3HG1 VAL 59 -10.761 10.172 11.552
365 HG21 VAL 59 3HG2 VAL 59 -12.348 12.020 9.800
366 HG22 VAL 59 1HG2 VAL 59 -12.640 11.722 11.512
367 HG23 VAL 59 2HG2 VAL 59 -13.948 11.521 10.346
Start of MODEL 13
1 H1 SER 8 1HT SER 8 -17.487 7.242 -8.079
2 H2 SER 8 2HT SER 8 -19.067 6.783 -7.591
3 H3 SER 8 3HT SER 8 -18.108 5.721 -8.493
4 HA SER 8 HA SER 8 -17.530 6.678 -5.798
5 HB2 SER 8 2HB SER 8 -18.559 4.007 -6.754
6 HB3 SER 8 1HB SER 8 -18.323 4.518 -5.074
7 HG SER 8 HG SER 8 -20.535 4.691 -6.102
8 HA PRO 9 HA PRO 9 -13.606 4.908 -7.082
9 HB2 PRO 9 2HB PRO 9 -12.185 5.556 -4.854
10 HB3 PRO 9 1HB PRO 9 -12.613 6.720 -6.106
11 HG2 PRO 9 2HG PRO 9 -13.624 6.506 -3.380
12 HG3 PRO 9 1HG PRO 9 -13.812 7.830 -4.536
13 HD2 PRO 9 2HD PRO 9 -15.681 5.711 -3.836
14 HD3 PRO 9 1HD PRO 9 -15.955 7.183 -4.800
15 HA PRO 10 HA PRO 10 -13.748 0.958 -4.785
16 HB2 PRO 10 2HB PRO 10 -12.069 -0.060 -6.940
17 HB3 PRO 10 1HB PRO 10 -13.722 -0.527 -6.531
18 HG2 PRO 10 2HG PRO 10 -13.087 0.829 -8.800
19 HG3 PRO 10 1HG PRO 10 -14.647 0.997 -7.978
20 HD2 PRO 10 2HD PRO 10 -12.253 2.795 -7.896
21 HD3 PRO 10 1HD PRO 10 -13.986 3.201 -8.009
22 H LYS 11 H LYS 11 -12.037 -0.235 -3.706
23 HA LYS 11 HA LYS 11 -9.521 1.263 -3.700
24 HB2 LYS 11 2HB LYS 11 -10.673 -0.430 -1.493
25 HB3 LYS 11 1HB LYS 11 -9.159 0.460 -1.414
26 HG2 LYS 11 2HG LYS 11 -10.466 2.559 -1.781
27 HG3 LYS 11 1HG LYS 11 -11.935 1.600 -1.634
28 HD2 LYS 11 2HD LYS 11 -11.481 2.654 0.490
29 HD3 LYS 11 1HD LYS 11 -11.197 0.922 0.640
30 HE2 LYS 11 2HE LYS 11 -8.819 1.231 0.504
31 HE3 LYS 11 1HE LYS 11 -9.018 2.945 0.130
32 HZ1 LYS 11 3HZ LYS 11 -9.916 3.286 2.321
33 HZ2 LYS 11 1HZ LYS 11 -8.418 2.556 2.463
34 HZ3 LYS 11 2HZ LYS 11 -9.824 1.657 2.693
35 HA PRO 12 HA PRO 12 -7.906 -2.515 -5.411
36 HB2 PRO 12 2HB PRO 12 -5.413 -1.534 -5.908
37 HB3 PRO 12 1HB PRO 12 -6.786 -1.320 -6.992
38 HG2 PRO 12 2HG PRO 12 -5.531 0.601 -5.112
39 HG3 PRO 12 1HG PRO 12 -6.371 0.913 -6.640
40 HD2 PRO 12 2HD PRO 12 -7.429 1.282 -4.090
41 HD3 PRO 12 1HD PRO 12 -8.384 1.161 -5.577
42 H LYS 13 H LYS 13 -6.177 -3.946 -4.894
43 HA LYS 13 HA LYS 13 -5.117 -3.551 -2.199
44 HB2 LYS 13 2HB LYS 13 -6.462 -6.047 -3.239
45 HB3 LYS 13 1HB LYS 13 -5.638 -5.917 -1.688
46 HG2 LYS 13 2HG LYS 13 -7.223 -4.260 -0.938
47 HG3 LYS 13 1HG LYS 13 -8.000 -4.252 -2.517
48 HD2 LYS 13 2HD LYS 13 -8.650 -6.584 -2.201
49 HD3 LYS 13 1HD LYS 13 -7.865 -6.586 -0.617
50 HE2 LYS 13 2HE LYS 13 -10.273 -6.242 -0.410
51 HE3 LYS 13 1HE LYS 13 -9.384 -4.824 0.143
52 HZ1 LYS 13 3HZ LYS 13 -11.268 -4.189 -1.227
53 HZ2 LYS 13 1HZ LYS 13 -10.726 -5.151 -2.481
54 HZ3 LYS 13 2HZ LYS 13 -9.857 -3.778 -2.039
55 H CYS 14 H CYS 14 -3.253 -4.836 -1.716
56 HA CYS 14 HA CYS 14 -1.778 -5.573 -4.140
57 HB2 CYS 14 2HB CYS 14 0.190 -4.443 -3.252
58 HB3 CYS 14 1HB CYS 14 -1.157 -3.326 -3.470
59 H ARG 15 H ARG 15 0.290 -6.645 -3.549
60 HA ARG 15 HA ARG 15 0.040 -8.435 -1.225
61 HB2 ARG 15 2HB ARG 15 0.825 -9.113 -4.068
62 HB3 ARG 15 1HB ARG 15 0.918 -10.229 -2.707
63 HG2 ARG 15 2HG ARG 15 -1.454 -10.213 -2.441
64 HG3 ARG 15 1HG ARG 15 -1.627 -8.917 -3.624
65 HD2 ARG 15 2HD ARG 15 -0.823 -10.393 -5.370
66 HD3 ARG 15 1HD ARG 15 -0.585 -11.683 -4.188
67 HE ARG 15 HE ARG 15 -3.082 -11.334 -3.778
68 HH11 ARG 15 1HH1 ARG 15 -1.510 -11.186 -6.949
69 HH12 ARG 15 2HH1 ARG 15 -2.906 -11.624 -7.816
70 HH21 ARG 15 1HH2 ARG 15 -5.014 -11.948 -5.010
71 HH22 ARG 15 2HH2 ARG 15 -4.911 -12.056 -6.696
72 H CYS 16 H CYS 16 1.494 -5.946 -1.819
73 HA CYS 16 HA CYS 16 4.169 -6.180 -2.467
74 HB2 CYS 16 2HB CYS 16 2.931 -4.332 -0.421
75 HB3 CYS 16 1HB CYS 16 4.524 -4.136 -1.136
76 H GLY 17 H GLY 17 5.700 -7.307 -1.632
77 HA2 GLY 17 2HA GLY 17 7.053 -7.615 0.472
78 HA3 GLY 17 1HA GLY 17 5.528 -8.126 1.204
79 H ILE 18 H ILE 18 4.476 -9.492 -0.962
80 HA ILE 18 HA ILE 18 6.224 -11.834 -1.088
81 HB ILE 18 HB ILE 18 3.295 -11.631 -1.909
82 HG12 ILE 18 2HG1 ILE 18 4.466 -12.422 0.771
83 HG13 ILE 18 1HG1 ILE 18 3.514 -10.997 0.429
84 HG21 ILE 18 1HG2 ILE 18 4.481 -13.568 -2.813
85 HG22 ILE 18 2HG2 ILE 18 3.314 -14.079 -1.592
86 HG23 ILE 18 3HG2 ILE 18 5.029 -14.007 -1.193
87 HD11 ILE 18 3HD1 ILE 18 2.178 -12.696 1.554
88 HD12 ILE 18 1HD1 ILE 18 2.500 -13.827 0.241
89 HD13 ILE 18 2HD1 ILE 18 1.560 -12.365 -0.062
90 H SER 19 H SER 19 5.169 -9.155 -2.738
91 HA SER 19 HA SER 19 4.639 -9.810 -5.336
92 HB2 SER 19 2HB SER 19 5.479 -7.353 -5.597
93 HB3 SER 19 1HB SER 19 4.024 -7.712 -4.650
94 HG SER 19 HG SER 19 6.223 -6.483 -3.787
95 H GLY 20 H GLY 20 7.809 -9.028 -3.884
96 HA2 GLY 20 2HA GLY 20 9.714 -10.215 -4.864
97 HA3 GLY 20 1HA GLY 20 9.024 -9.838 -6.443
98 H SER 21 H SER 21 9.030 -7.663 -7.166
99 HA SER 21 HA SER 21 11.312 -6.204 -6.256
100 HB2 SER 21 2HB SER 21 9.226 -5.493 -8.323
101 HB3 SER 21 1HB SER 21 10.745 -4.636 -8.076
102 HG SER 21 HG SER 21 11.291 -7.205 -8.328
103 H SER 22 H SER 22 10.777 -5.684 -4.161
104 HA SER 22 HA SER 22 9.304 -3.237 -3.847
105 HB2 SER 22 2HB SER 22 8.590 -5.721 -2.233
106 HB3 SER 22 1HB SER 22 7.932 -4.103 -1.980
107 HG SER 22 HG SER 22 7.646 -4.704 -4.504
108 H ASN 23 H ASN 23 10.515 -2.020 -2.520
109 HA ASN 23 HA ASN 23 12.835 -3.132 -1.311
110 HB2 ASN 23 2HB ASN 23 11.689 -0.366 -1.140
111 HB3 ASN 23 1HB ASN 23 13.141 -0.817 -0.268
112 HD21 ASN 23 1HD2 ASN 23 14.969 -1.527 -1.533
113 HD22 ASN 23 2HD2 ASN 23 15.176 -0.964 -3.142
114 H THR 24 H THR 24 13.470 -2.844 0.954
115 HA THR 24 HA THR 24 11.650 -4.294 2.514
116 HB THR 24 HB THR 24 14.154 -2.873 3.435
117 HG1 THR 24 1HG THR 24 13.699 -5.106 1.794
118 HG21 THR 24 3HG2 THR 24 14.317 -4.805 4.955
119 HG22 THR 24 1HG2 THR 24 12.819 -5.457 4.295
120 HG23 THR 24 2HG2 THR 24 12.800 -3.945 5.207
121 H LEU 25 H LEU 25 12.693 -0.918 2.582
122 HA LEU 25 HA LEU 25 10.744 -0.391 4.679
123 HB2 LEU 25 2HB LEU 25 11.586 1.864 4.842
124 HB3 LEU 25 1HB LEU 25 12.936 0.762 4.862
125 HG LEU 25 HG LEU 25 12.103 2.438 2.476
126 HD11 LEU 25 1HD1 LEU 25 14.300 2.851 4.467
127 HD12 LEU 25 2HD1 LEU 25 12.843 3.832 4.299
128 HD13 LEU 25 3HD1 LEU 25 14.048 3.801 3.008
129 HD21 LEU 25 3HD2 LEU 25 14.416 1.927 1.687
130 HD22 LEU 25 1HD2 LEU 25 13.351 0.522 1.717
131 HD23 LEU 25 2HD2 LEU 25 14.550 0.748 2.988
132 H THR 26 H THR 26 11.293 0.519 1.327
133 HA THR 26 HA THR 26 8.840 2.014 1.188
134 HB THR 26 HB THR 26 10.633 1.300 -1.131
135 HG1 THR 26 1HG THR 26 11.852 3.251 -0.333
136 HG21 THR 26 3HG2 THR 26 8.612 2.700 -1.501
137 HG22 THR 26 1HG2 THR 26 10.094 3.603 -1.810
138 HG23 THR 26 2HG2 THR 26 9.210 3.846 -0.307
139 H THR 27 H THR 27 8.322 -0.707 1.839
140 HA THR 27 HA THR 27 7.977 -2.440 -0.336
141 HB THR 27 HB THR 27 6.333 -2.454 2.196
142 HG1 THR 27 1HG THR 27 9.059 -3.075 1.727
143 HG21 THR 27 3HG2 THR 27 5.817 -4.180 0.510
144 HG22 THR 27 1HG2 THR 27 6.550 -4.891 1.946
145 HG23 THR 27 2HG2 THR 27 7.515 -4.660 0.487
146 H CYS 28 H CYS 28 5.369 -0.868 1.531
147 HA CYS 28 HA CYS 28 3.766 -0.847 -0.862
148 HB2 CYS 28 2HB CYS 28 3.053 -0.410 2.002
149 HB3 CYS 28 1HB CYS 28 1.943 0.068 0.718
150 H ARG 29 H ARG 29 5.953 1.156 0.302
151 HA ARG 29 HA ARG 29 4.421 3.580 -0.198
152 HB2 ARG 29 2HB ARG 29 5.846 3.358 1.844
153 HB3 ARG 29 1HB ARG 29 7.258 3.333 0.803
154 HG2 ARG 29 2HG ARG 29 6.773 5.582 0.040
155 HG3 ARG 29 1HG ARG 29 5.297 5.605 1.001
156 HD2 ARG 29 2HD ARG 29 6.985 6.785 2.211
157 HD3 ARG 29 1HD ARG 29 6.657 5.246 3.010
158 HE ARG 29 HE ARG 29 8.929 5.411 1.182
159 HH11 ARG 29 1HH1 ARG 29 7.719 5.175 4.499
160 HH12 ARG 29 2HH1 ARG 29 9.207 4.738 5.172
161 HH21 ARG 29 1HH2 ARG 29 10.985 4.839 2.103
162 HH22 ARG 29 2HH2 ARG 29 11.107 4.583 3.800
163 H ASN 30 H ASN 30 5.924 1.513 -2.142
164 HA ASN 30 HA ASN 30 7.214 3.630 -3.685
165 HB2 ASN 30 2HB ASN 30 8.318 1.974 -5.029
166 HB3 ASN 30 1HB ASN 30 8.537 1.500 -3.356
167 HD21 ASN 30 1HD2 ASN 30 7.590 -0.378 -2.658
168 HD22 ASN 30 2HD2 ASN 30 6.847 -1.516 -3.718
169 H SER 31 H SER 31 6.840 3.433 -6.141
170 HA SER 31 HA SER 31 4.158 4.058 -6.480
171 HB2 SER 31 2HB SER 31 4.972 4.181 -8.927
172 HB3 SER 31 1HB SER 31 5.636 5.292 -7.727
173 HG SER 31 HG SER 31 7.291 4.439 -8.877
174 H ARG 32 H ARG 32 5.651 0.985 -6.643
175 HA ARG 32 HA ARG 32 3.828 0.006 -8.647
176 HB2 ARG 32 2HB ARG 32 5.778 -1.533 -6.952
177 HB3 ARG 32 1HB ARG 32 4.910 -2.148 -8.350
178 HG2 ARG 32 2HG ARG 32 6.096 -0.446 -9.741
179 HG3 ARG 32 1HG ARG 32 7.046 -0.040 -8.305
180 HD2 ARG 32 2HD ARG 32 8.262 -1.611 -9.675
181 HD3 ARG 32 1HD ARG 32 7.780 -2.380 -8.159
182 HE ARG 32 HE ARG 32 6.396 -2.741 -10.727
183 HH11 ARG 32 1HH1 ARG 32 7.410 -4.096 -7.581
184 HH12 ARG 32 2HH1 ARG 32 6.794 -5.636 -7.948
185 HH21 ARG 32 1HH2 ARG 32 5.550 -4.822 -11.134
186 HH22 ARG 32 2HH2 ARG 32 5.682 -6.058 -9.963
187 H CYS 33 H CYS 33 3.493 0.765 -5.503
188 HA CYS 33 HA CYS 33 1.762 -1.455 -4.877
189 HB2 CYS 33 2HB CYS 33 3.105 -0.484 -3.062
190 HB3 CYS 33 1HB CYS 33 2.372 1.083 -3.347
191 HA PRO 34 HA PRO 34 -1.349 0.665 -7.329
192 HB2 PRO 34 2HB PRO 34 -3.433 -1.000 -6.585
193 HB3 PRO 34 1HB PRO 34 -2.296 -1.334 -7.892
194 HG2 PRO 34 2HG PRO 34 -2.290 -2.315 -5.077
195 HG3 PRO 34 1HG PRO 34 -1.926 -3.200 -6.570
196 HD2 PRO 34 2HD PRO 34 0.009 -2.354 -4.956
197 HD3 PRO 34 1HD PRO 34 0.224 -2.292 -6.718
198 H CYS 35 H CYS 35 -1.678 -0.107 -3.989
199 HA CYS 35 HA CYS 35 -4.008 1.412 -3.397
200 HB2 CYS 35 2HB CYS 35 -1.704 0.693 -1.600
201 HB3 CYS 35 1HB CYS 35 -3.326 1.143 -1.089
202 H TYR 36 H TYR 36 -0.625 1.949 -2.668
203 HA TYR 36 HA TYR 36 -0.658 4.539 -1.760
204 HB2 TYR 36 2HB TYR 36 1.262 3.166 -1.468
205 HB3 TYR 36 1HB TYR 36 1.412 2.903 -3.194
206 HD1 TYR 36 1HD TYR 36 1.927 5.355 -0.482
207 HD2 TYR 36 2HD TYR 36 2.603 4.415 -4.569
208 HE1 TYR 36 1HE TYR 36 3.584 7.169 -0.627
209 HE2 TYR 36 2HE TYR 36 4.235 6.199 -4.739
210 HH TYR 36 HH TYR 36 5.512 7.750 -2.000
211 H LYS 37 H LYS 37 -0.103 3.378 -5.057
212 HA LYS 37 HA LYS 37 0.350 5.938 -6.126
213 HB2 LYS 37 2HB LYS 37 1.110 3.688 -7.023
214 HB3 LYS 37 1HB LYS 37 -0.507 3.516 -7.685
215 HG2 LYS 37 2HG LYS 37 -0.192 5.494 -9.048
216 HG3 LYS 37 1HG LYS 37 1.406 5.743 -8.335
217 HD2 LYS 37 2HD LYS 37 2.059 3.493 -9.181
218 HD3 LYS 37 1HD LYS 37 0.514 3.416 -10.028
219 HE2 LYS 37 2HE LYS 37 1.114 5.390 -11.310
220 HE3 LYS 37 1HE LYS 37 2.635 5.514 -10.427
221 HZ1 LYS 37 3HZ LYS 37 3.276 3.356 -11.322
222 HZ2 LYS 37 1HZ LYS 37 2.942 4.443 -12.572
223 HZ3 LYS 37 2HZ LYS 37 1.826 3.251 -12.158
224 H SER 38 H SER 38 -2.581 4.148 -5.531
225 HA SER 38 HA SER 38 -4.110 6.049 -7.156
226 HB2 SER 38 2HB SER 38 -5.141 3.605 -5.701
227 HB3 SER 38 1HB SER 38 -5.978 4.539 -6.941
228 HG SER 38 HG SER 38 -3.848 2.777 -7.121
229 H TYR 39 H TYR 39 -2.804 6.132 -4.279
230 HA TYR 39 HA TYR 39 -3.071 7.342 -2.416
231 HB2 TYR 39 2HB TYR 39 -5.411 8.545 -3.910
232 HB3 TYR 39 1HB TYR 39 -4.824 9.141 -2.363
233 HD1 TYR 39 1HD TYR 39 -3.919 8.674 -5.920
234 HD2 TYR 39 2HD TYR 39 -2.924 10.562 -2.253
235 HE1 TYR 39 1HE TYR 39 -2.307 10.097 -7.099
236 HE2 TYR 39 2HE TYR 39 -1.304 11.991 -3.415
237 HH TYR 39 HH TYR 39 -1.258 12.312 -6.755
238 H ASN 40 H ASN 40 -4.291 4.738 -2.586
239 HA ASN 40 HA ASN 40 -6.411 5.065 -0.577
240 HB2 ASN 40 2HB ASN 40 -5.912 2.756 -2.465
241 HB3 ASN 40 1HB ASN 40 -6.979 2.628 -1.074
242 HD21 ASN 40 1HD2 ASN 40 -6.568 3.862 -4.251
243 HD22 ASN 40 2HD2 ASN 40 -8.178 4.407 -4.488
244 H SER 41 H SER 41 -6.452 3.510 1.147
245 HA SER 41 HA SER 41 -3.822 3.035 2.212
246 HB2 SER 41 2HB SER 41 -5.139 2.419 4.242
247 HB3 SER 41 1HB SER 41 -5.475 4.047 3.656
248 HG SER 41 HG SER 41 -7.297 2.722 4.253
249 H CYS 42 H CYS 42 -3.417 0.961 3.322
250 HA CYS 42 HA CYS 42 -4.208 -1.211 1.611
251 HB2 CYS 42 2HB CYS 42 -1.966 -0.914 3.591
252 HB3 CYS 42 1HB CYS 42 -2.416 -2.480 2.912
253 H ALA 43 H ALA 43 -6.192 -1.064 2.430
254 HA ALA 43 HA ALA 43 -6.517 -2.546 4.956
255 HB1 ALA 43 1HB ALA 43 -7.673 -0.381 4.966
256 HB2 ALA 43 2HB ALA 43 -8.828 -1.713 5.024
257 HB3 ALA 43 3HB ALA 43 -8.559 -0.843 3.514
258 H GLY 44 H GLY 44 -6.526 -4.625 4.445
259 HA2 GLY 44 2HA GLY 44 -7.868 -6.499 3.825
260 HA3 GLY 44 1HA GLY 44 -8.580 -5.525 2.547
261 H CYS 45 H CYS 45 -5.262 -5.217 2.855
262 HA CYS 45 HA CYS 45 -4.865 -6.496 0.287
263 HB2 CYS 45 2HB CYS 45 -2.906 -5.063 2.075
264 HB3 CYS 45 1HB CYS 45 -2.635 -5.564 0.410
265 H HIS 46 H HIS 46 -2.661 -7.664 0.166
266 HA HIS 46 HA HIS 46 -2.432 -9.479 2.445
267 HB2 HIS 46 2HB HIS 46 -2.231 -10.073 -0.511
268 HB3 HIS 46 1HB HIS 46 -1.635 -11.190 0.711
269 HD1 HIS 46 1HD HIS 46 -3.408 -12.538 2.036
270 HD2 HIS 46 2HD HIS 46 -5.040 -9.846 -0.680
271 HE1 HIS 46 1HE HIS 46 -5.839 -13.106 1.890
272 HE2 HIS 46 2HE HIS 46 -6.813 -11.227 0.567
273 H CYS 47 H CYS 47 -1.219 -6.953 1.775
274 HA CYS 47 HA CYS 47 1.467 -7.434 1.004
275 HB2 CYS 47 2HB CYS 47 1.854 -5.070 1.785
276 HB3 CYS 47 1HB CYS 47 0.628 -5.253 0.544
277 H VAL 48 H VAL 48 3.265 -7.483 2.212
278 HA VAL 48 HA VAL 48 2.888 -8.189 5.054
279 HB VAL 48 HB VAL 48 4.974 -9.320 3.172
280 HG11 VAL 48 1HG1 VAL 48 5.660 -9.327 5.484
281 HG12 VAL 48 2HG1 VAL 48 5.355 -10.975 4.930
282 HG13 VAL 48 3HG1 VAL 48 4.172 -10.154 5.948
283 HG21 VAL 48 3HG2 VAL 48 2.779 -10.092 2.463
284 HG22 VAL 48 1HG2 VAL 48 2.424 -10.641 4.102
285 HG23 VAL 48 2HG2 VAL 48 3.712 -11.408 3.159
286 H GLY 49 H GLY 49 3.809 -6.622 6.231
287 HA2 GLY 49 2HA GLY 49 5.499 -5.255 6.990
288 HA3 GLY 49 1HA GLY 49 6.481 -5.733 5.598
289 H CYS 50 H CYS 50 3.345 -4.273 6.044
290 HA CYS 50 HA CYS 50 3.639 -2.666 3.709
291 HB2 CYS 50 2HB CYS 50 1.519 -3.622 4.048
292 HB3 CYS 50 1HB CYS 50 1.468 -3.102 5.727
293 H LYS 51 H LYS 51 4.721 -0.822 3.814
294 HA LYS 51 HA LYS 51 4.075 0.926 6.075
295 HB2 LYS 51 2HB LYS 51 6.427 1.221 4.156
296 HB3 LYS 51 1HB LYS 51 6.070 2.283 5.489
297 HG2 LYS 51 2HG LYS 51 7.859 0.973 6.231
298 HG3 LYS 51 1HG LYS 51 6.443 0.248 6.998
299 HD2 LYS 51 2HD LYS 51 6.374 -1.435 5.190
300 HD3 LYS 51 1HD LYS 51 7.831 -0.725 4.501
301 HE2 LYS 51 2HE LYS 51 9.046 -1.259 6.549
302 HE3 LYS 51 1HE LYS 51 7.581 -1.984 7.224
303 HZ1 LYS 51 3HZ LYS 51 7.618 -3.504 5.231
304 HZ2 LYS 51 1HZ LYS 51 8.893 -3.712 6.338
305 HZ3 LYS 51 2HZ LYS 51 9.168 -2.898 4.905
306 H ASN 52 H ASN 52 2.192 1.596 5.229
307 HA ASN 52 HA ASN 52 2.360 2.978 2.654
308 HB2 ASN 52 2HB ASN 52 0.648 1.130 2.903
309 HB3 ASN 52 1HB ASN 52 -0.170 2.106 4.105
310 HD21 ASN 52 1HD2 ASN 52 -1.301 1.198 1.717
311 HD22 ASN 52 2HD2 ASN 52 -1.714 2.572 0.753
312 HA PRO 53 HA PRO 53 2.103 6.682 5.263
313 HB2 PRO 53 2HB PRO 53 1.813 8.009 2.647
314 HB3 PRO 53 1HB PRO 53 3.005 8.295 3.917
315 HG2 PRO 53 2HG PRO 53 3.662 7.089 1.626
316 HG3 PRO 53 1HG PRO 53 4.399 6.621 3.168
317 HD2 PRO 53 2HD PRO 53 2.269 5.246 1.588
318 HD3 PRO 53 1HD PRO 53 3.617 4.568 2.524
319 H HIS 54 H HIS 54 -0.146 5.456 2.952
320 HA HIS 54 HA HIS 54 -2.048 7.563 3.430
321 HB2 HIS 54 2HB HIS 54 -2.341 5.040 1.800
322 HB3 HIS 54 1HB HIS 54 -3.605 6.253 1.980
323 HD1 HIS 54 1HD HIS 54 -3.132 8.598 0.877
324 HD2 HIS 54 2HD HIS 54 -0.357 5.640 0.038
325 HE1 HIS 54 1HE HIS 54 -1.823 9.460 -1.059
326 HE2 HIS 54 2HE HIS 54 -0.069 7.737 -1.500
327 H LYS 55 H LYS 55 -2.278 7.467 5.457
328 HA LYS 55 HA LYS 55 -4.271 5.596 6.443
329 HB2 LYS 55 2HB LYS 55 -1.825 6.524 7.997
330 HB3 LYS 55 1HB LYS 55 -3.158 5.594 8.657
331 HG2 LYS 55 2HG LYS 55 -2.537 3.711 7.225
332 HG3 LYS 55 1HG LYS 55 -1.200 4.660 6.567
333 HD2 LYS 55 2HD LYS 55 -0.246 4.857 8.809
334 HD3 LYS 55 1HD LYS 55 -1.576 3.896 9.453
335 HE2 LYS 55 2HE LYS 55 -0.880 2.011 8.051
336 HE3 LYS 55 1HE LYS 55 0.452 2.979 7.422
337 HZ1 LYS 55 3HZ LYS 55 1.112 1.462 9.207
338 HZ2 LYS 55 1HZ LYS 55 0.097 2.244 10.277
339 HZ3 LYS 55 2HZ LYS 55 1.424 3.052 9.628
340 H GLU 56 H GLU 56 -5.346 6.721 8.333
341 HA GLU 56 HA GLU 56 -5.775 9.398 7.555
342 HB2 GLU 56 2HB GLU 56 -7.384 9.476 9.522
343 HB3 GLU 56 1HB GLU 56 -7.746 8.312 8.268
344 HG2 GLU 56 2HG GLU 56 -6.331 7.563 10.820
345 HG3 GLU 56 1HG GLU 56 -8.084 7.590 10.687
346 H ASP 57 H ASP 57 -4.465 10.920 7.960
347 HA ASP 57 HA ASP 57 -2.766 10.968 10.268
348 HB2 ASP 57 2HB ASP 57 -3.297 13.085 8.153
349 HB3 ASP 57 1HB ASP 57 -2.188 13.326 9.495
350 H TYR 58 H TYR 58 -4.126 10.781 11.837
351 HA TYR 58 HA TYR 58 -5.958 12.989 12.483
352 HB2 TYR 58 2HB TYR 58 -7.257 11.184 11.609
353 HB3 TYR 58 1HB TYR 58 -6.356 10.003 12.526
354 HD1 TYR 58 1HD TYR 58 -8.552 12.990 13.146
355 HD2 TYR 58 2HD TYR 58 -7.388 9.081 14.333
356 HE1 TYR 58 1HE TYR 58 -10.343 12.969 14.819
357 HE2 TYR 58 2HE TYR 58 -9.165 9.052 16.012
358 HH TYR 58 HH TYR 58 -10.534 10.619 17.276
359 H VAL 59 H VAL 59 -5.156 13.880 14.287
360 HA VAL 59 HA VAL 59 -4.005 12.074 16.232
361 HB VAL 59 HB VAL 59 -2.834 14.057 17.247
362 HG11 VAL 59 1HG1 VAL 59 -2.197 13.483 14.362
363 HG12 VAL 59 2HG1 VAL 59 -1.655 12.557 15.764
364 HG13 VAL 59 3HG1 VAL 59 -1.097 14.216 15.530
365 HG21 VAL 59 3HG2 VAL 59 -3.737 15.488 14.739
366 HG22 VAL 59 1HG2 VAL 59 -2.555 16.101 15.898
367 HG23 VAL 59 2HG2 VAL 59 -4.229 15.869 16.387
Start of MODEL 14
1 H1 SER 8 1HT SER 8 -19.784 2.549 -5.262
2 H2 SER 8 2HT SER 8 -20.411 2.961 -3.740
3 H3 SER 8 3HT SER 8 -19.809 1.413 -4.028
4 HA SER 8 HA SER 8 -18.201 3.854 -4.042
5 HB2 SER 8 2HB SER 8 -18.374 1.583 -2.038
6 HB3 SER 8 1HB SER 8 -17.372 3.038 -1.895
7 HG SER 8 HG SER 8 -19.143 4.229 -1.472
8 HA PRO 9 HA PRO 9 -15.475 0.969 -6.101
9 HB2 PRO 9 2HB PRO 9 -13.142 2.335 -5.988
10 HB3 PRO 9 1HB PRO 9 -14.477 2.815 -7.036
11 HG2 PRO 9 2HG PRO 9 -13.493 4.074 -4.561
12 HG3 PRO 9 1HG PRO 9 -14.449 4.775 -5.870
13 HD2 PRO 9 2HD PRO 9 -15.374 3.836 -3.316
14 HD3 PRO 9 1HD PRO 9 -16.330 4.516 -4.642
15 HA PRO 10 HA PRO 10 -13.529 -1.205 -2.700
16 HB2 PRO 10 2HB PRO 10 -12.547 -3.295 -4.188
17 HB3 PRO 10 1HB PRO 10 -14.218 -3.219 -3.609
18 HG2 PRO 10 2HG PRO 10 -13.115 -2.647 -6.312
19 HG3 PRO 10 1HG PRO 10 -14.662 -3.378 -5.862
20 HD2 PRO 10 2HD PRO 10 -14.375 -0.772 -6.664
21 HD3 PRO 10 1HD PRO 10 -15.687 -1.348 -5.617
22 H LYS 11 H LYS 11 -11.549 -0.904 -1.927
23 HA LYS 11 HA LYS 11 -9.616 0.569 -3.377
24 HB2 LYS 11 2HB LYS 11 -9.343 -0.941 -0.795
25 HB3 LYS 11 1HB LYS 11 -8.167 0.219 -1.398
26 HG2 LYS 11 2HG LYS 11 -9.971 1.943 -1.272
27 HG3 LYS 11 1HG LYS 11 -10.987 0.750 -0.484
28 HD2 LYS 11 2HD LYS 11 -8.302 1.703 0.540
29 HD3 LYS 11 1HD LYS 11 -9.852 2.299 1.106
30 HE2 LYS 11 2HE LYS 11 -9.153 0.738 2.738
31 HE3 LYS 11 1HE LYS 11 -10.348 -0.121 1.771
32 HZ1 LYS 11 3HZ LYS 11 -7.407 -0.355 1.411
33 HZ2 LYS 11 1HZ LYS 11 -8.574 -1.293 0.646
34 HZ3 LYS 11 2HZ LYS 11 -8.342 -1.457 2.287
35 HA PRO 12 HA PRO 12 -7.312 -2.659 -5.426
36 HB2 PRO 12 2HB PRO 12 -4.951 -1.040 -4.622
37 HB3 PRO 12 1HB PRO 12 -5.397 -1.630 -6.220
38 HG2 PRO 12 2HG PRO 12 -5.721 0.940 -5.586
39 HG3 PRO 12 1HG PRO 12 -6.903 0.083 -6.589
40 HD2 PRO 12 2HD PRO 12 -7.092 0.889 -3.729
41 HD3 PRO 12 1HD PRO 12 -8.355 0.792 -4.979
42 H LYS 13 H LYS 13 -5.990 -4.376 -4.850
43 HA LYS 13 HA LYS 13 -4.990 -4.432 -2.133
44 HB2 LYS 13 2HB LYS 13 -5.784 -6.849 -1.984
45 HB3 LYS 13 1HB LYS 13 -7.008 -5.602 -1.868
46 HG2 LYS 13 2HG LYS 13 -7.631 -5.975 -4.200
47 HG3 LYS 13 1HG LYS 13 -6.390 -7.222 -4.333
48 HD2 LYS 13 2HD LYS 13 -7.502 -8.602 -2.737
49 HD3 LYS 13 1HD LYS 13 -8.641 -7.314 -2.340
50 HE2 LYS 13 2HE LYS 13 -9.673 -8.981 -3.786
51 HE3 LYS 13 1HE LYS 13 -9.560 -7.420 -4.592
52 HZ1 LYS 13 3HZ LYS 13 -8.973 -9.243 -6.037
53 HZ2 LYS 13 1HZ LYS 13 -7.730 -9.721 -5.020
54 HZ3 LYS 13 2HZ LYS 13 -7.645 -8.233 -5.819
55 H CYS 14 H CYS 14 -3.025 -4.873 -2.071
56 HA CYS 14 HA CYS 14 -1.679 -6.057 -4.395
57 HB2 CYS 14 2HB CYS 14 0.263 -4.699 -3.602
58 HB3 CYS 14 1HB CYS 14 -1.149 -3.742 -4.009
59 H ARG 15 H ARG 15 0.218 -7.367 -3.900
60 HA ARG 15 HA ARG 15 0.027 -8.713 -1.282
61 HB2 ARG 15 2HB ARG 15 1.078 -9.869 -3.892
62 HB3 ARG 15 1HB ARG 15 1.088 -10.699 -2.359
63 HG2 ARG 15 2HG ARG 15 -0.701 -11.620 -3.551
64 HG3 ARG 15 1HG ARG 15 -1.468 -10.529 -2.414
65 HD2 ARG 15 2HD ARG 15 -1.567 -8.809 -4.200
66 HD3 ARG 15 1HD ARG 15 -0.898 -9.995 -5.322
67 HE ARG 15 HE ARG 15 -3.149 -11.071 -4.103
68 HH11 ARG 15 1HH1 ARG 15 -2.293 -8.561 -6.448
69 HH12 ARG 15 2HH1 ARG 15 -3.803 -8.605 -7.245
70 HH21 ARG 15 1HH2 ARG 15 -5.265 -11.064 -5.175
71 HH22 ARG 15 2HH2 ARG 15 -5.505 -10.017 -6.507
72 H CYS 16 H CYS 16 1.441 -6.324 -1.897
73 HA CYS 16 HA CYS 16 4.188 -6.622 -2.297
74 HB2 CYS 16 2HB CYS 16 2.793 -4.576 -0.547
75 HB3 CYS 16 1HB CYS 16 4.430 -4.460 -1.183
76 H GLY 17 H GLY 17 5.832 -7.251 -0.995
77 HA2 GLY 17 2HA GLY 17 6.714 -7.521 1.232
78 HA3 GLY 17 1HA GLY 17 5.114 -8.098 1.720
79 H ILE 18 H ILE 18 4.452 -9.604 -0.408
80 HA ILE 18 HA ILE 18 5.986 -11.997 0.077
81 HB ILE 18 HB ILE 18 3.630 -11.536 -1.784
82 HG12 ILE 18 2HG1 ILE 18 3.697 -12.489 1.089
83 HG13 ILE 18 1HG1 ILE 18 3.063 -10.961 0.509
84 HG21 ILE 18 1HG2 ILE 18 4.766 -14.103 -0.655
85 HG22 ILE 18 2HG2 ILE 18 4.878 -13.571 -2.330
86 HG23 ILE 18 3HG2 ILE 18 3.308 -13.972 -1.634
87 HD11 ILE 18 3HD1 ILE 18 1.950 -13.668 -0.173
88 HD12 ILE 18 1HD1 ILE 18 1.309 -12.117 -0.712
89 HD13 ILE 18 2HD1 ILE 18 1.279 -12.543 1.002
90 H SER 19 H SER 19 5.232 -9.807 -2.564
91 HA SER 19 HA SER 19 7.691 -10.453 -3.951
92 HB2 SER 19 2HB SER 19 4.985 -10.599 -5.315
93 HB3 SER 19 1HB SER 19 6.550 -10.884 -6.066
94 HG SER 19 HG SER 19 6.742 -12.627 -4.461
95 H GLY 20 H GLY 20 8.339 -8.593 -5.207
96 HA2 GLY 20 2HA GLY 20 6.873 -6.685 -6.363
97 HA3 GLY 20 1HA GLY 20 6.819 -6.197 -4.677
98 H SER 21 H SER 21 7.890 -4.539 -6.571
99 HA SER 21 HA SER 21 10.752 -4.748 -6.332
100 HB2 SER 21 2HB SER 21 10.553 -2.701 -7.861
101 HB3 SER 21 1HB SER 21 9.995 -4.239 -8.526
102 HG SER 21 HG SER 21 8.590 -1.980 -7.811
103 H SER 22 H SER 22 11.960 -3.118 -5.290
104 HA SER 22 HA SER 22 12.491 -1.698 -3.585
105 HB2 SER 22 2HB SER 22 9.771 -0.441 -4.116
106 HB3 SER 22 1HB SER 22 11.164 0.336 -3.366
107 HG SER 22 HG SER 22 12.180 -0.335 -5.540
108 H ASN 23 H ASN 23 11.199 -4.139 -3.089
109 HA ASN 23 HA ASN 23 9.020 -3.949 -1.274
110 HB2 ASN 23 2HB ASN 23 9.284 -5.779 -2.876
111 HB3 ASN 23 1HB ASN 23 10.759 -6.284 -2.086
112 HD21 ASN 23 1HD2 ASN 23 10.608 -7.363 -0.104
113 HD22 ASN 23 2HD2 ASN 23 9.121 -8.003 0.497
114 H THR 24 H THR 24 12.267 -3.757 -0.969
115 HA THR 24 HA THR 24 12.759 -4.957 1.529
116 HB THR 24 HB THR 24 14.788 -3.352 1.432
117 HG1 THR 24 1HG THR 24 15.116 -2.503 -0.655
118 HG21 THR 24 3HG2 THR 24 15.880 -4.825 -0.230
119 HG22 THR 24 1HG2 THR 24 14.302 -5.439 -0.713
120 HG23 THR 24 2HG2 THR 24 14.909 -5.750 0.913
121 H LEU 25 H LEU 25 12.593 -1.488 0.740
122 HA LEU 25 HA LEU 25 12.056 -0.981 3.604
123 HB2 LEU 25 2HB LEU 25 13.136 0.971 1.565
124 HB3 LEU 25 1HB LEU 25 12.760 1.369 3.221
125 HG LEU 25 HG LEU 25 14.561 -0.383 3.827
126 HD11 LEU 25 1HD1 LEU 25 15.377 0.180 0.989
127 HD12 LEU 25 2HD1 LEU 25 14.777 -1.354 1.604
128 HD13 LEU 25 3HD1 LEU 25 16.312 -0.712 2.193
129 HD21 LEU 25 3HD2 LEU 25 14.801 2.009 4.193
130 HD22 LEU 25 1HD2 LEU 25 15.319 2.227 2.522
131 HD23 LEU 25 2HD2 LEU 25 16.321 1.306 3.640
132 H THR 26 H THR 26 11.134 0.180 0.404
133 HA THR 26 HA THR 26 8.830 1.521 1.576
134 HB THR 26 HB THR 26 8.826 2.673 -0.676
135 HG1 THR 26 1HG THR 26 10.013 1.007 -1.744
136 HG21 THR 26 3HG2 THR 26 10.799 4.077 -0.165
137 HG22 THR 26 1HG2 THR 26 11.381 2.834 0.938
138 HG23 THR 26 2HG2 THR 26 9.891 3.704 1.302
139 H THR 27 H THR 27 8.376 -1.110 1.603
140 HA THR 27 HA THR 27 7.811 -2.607 -0.559
141 HB THR 27 HB THR 27 6.148 -2.568 1.946
142 HG1 THR 27 1HG THR 27 8.713 -3.803 1.758
143 HG21 THR 27 3HG2 THR 27 5.600 -4.259 0.289
144 HG22 THR 27 1HG2 THR 27 6.323 -5.010 1.701
145 HG23 THR 27 2HG2 THR 27 7.282 -4.790 0.235
146 H CYS 28 H CYS 28 5.216 -1.010 1.295
147 HA CYS 28 HA CYS 28 3.644 -0.869 -1.109
148 HB2 CYS 28 2HB CYS 28 2.934 -0.618 1.769
149 HB3 CYS 28 1HB CYS 28 1.802 -0.043 0.556
150 H ARG 29 H ARG 29 5.837 1.050 0.105
151 HA ARG 29 HA ARG 29 4.353 3.559 -0.141
152 HB2 ARG 29 2HB ARG 29 5.739 3.202 1.849
153 HB3 ARG 29 1HB ARG 29 7.159 3.031 0.837
154 HG2 ARG 29 2HG ARG 29 6.899 5.355 0.110
155 HG3 ARG 29 1HG ARG 29 5.482 5.504 1.136
156 HD2 ARG 29 2HD ARG 29 6.779 5.163 3.110
157 HD3 ARG 29 1HD ARG 29 8.218 4.784 2.159
158 HE ARG 29 HE ARG 29 7.153 7.330 1.515
159 HH11 ARG 29 1HH1 ARG 29 9.039 5.768 4.049
160 HH12 ARG 29 2HH1 ARG 29 10.052 7.108 4.321
161 HH21 ARG 29 1HH2 ARG 29 8.461 9.109 1.839
162 HH22 ARG 29 2HH2 ARG 29 9.712 9.123 2.995
163 H ASN 30 H ASN 30 5.976 1.649 -2.221
164 HA ASN 30 HA ASN 30 7.349 3.858 -3.546
165 HB2 ASN 30 2HB ASN 30 8.414 2.262 -5.009
166 HB3 ASN 30 1HB ASN 30 8.562 1.680 -3.362
167 HD21 ASN 30 1HD2 ASN 30 7.447 -0.182 -2.769
168 HD22 ASN 30 2HD2 ASN 30 6.761 -1.235 -3.936
169 H SER 31 H SER 31 7.132 4.014 -5.956
170 HA SER 31 HA SER 31 4.434 4.706 -6.417
171 HB2 SER 31 2HB SER 31 6.760 4.788 -8.341
172 HB3 SER 31 1HB SER 31 5.234 5.663 -8.495
173 HG SER 31 HG SER 31 7.307 6.003 -6.626
174 H ARG 32 H ARG 32 5.752 1.683 -6.719
175 HA ARG 32 HA ARG 32 4.078 1.060 -9.025
176 HB2 ARG 32 2HB ARG 32 6.292 -0.560 -7.765
177 HB3 ARG 32 1HB ARG 32 5.279 -1.124 -9.086
178 HG2 ARG 32 2HG ARG 32 7.045 1.320 -9.231
179 HG3 ARG 32 1HG ARG 32 7.530 -0.283 -9.772
180 HD2 ARG 32 2HD ARG 32 6.809 1.057 -11.672
181 HD3 ARG 32 1HD ARG 32 5.679 -0.263 -11.419
182 HE ARG 32 HE ARG 32 4.875 2.189 -10.149
183 HH11 ARG 32 1HH1 ARG 32 4.883 0.515 -13.273
184 HH12 ARG 32 2HH1 ARG 32 3.471 1.256 -13.841
185 HH21 ARG 32 1HH2 ARG 32 2.958 3.214 -10.918
186 HH22 ARG 32 2HH2 ARG 32 2.337 2.839 -12.466
187 H CYS 33 H CYS 33 3.710 1.279 -5.843
188 HA CYS 33 HA CYS 33 2.173 -1.153 -5.573
189 HB2 CYS 33 2HB CYS 33 3.413 -0.339 -3.591
190 HB3 CYS 33 1HB CYS 33 2.510 1.165 -3.634
191 HA PRO 34 HA PRO 34 -1.257 0.784 -7.668
192 HB2 PRO 34 2HB PRO 34 -3.186 -0.972 -6.757
193 HB3 PRO 34 1HB PRO 34 -2.142 -1.269 -8.146
194 HG2 PRO 34 2HG PRO 34 -1.850 -2.207 -5.324
195 HG3 PRO 34 1HG PRO 34 -1.570 -3.101 -6.827
196 HD2 PRO 34 2HD PRO 34 0.452 -2.157 -5.413
197 HD3 PRO 34 1HD PRO 34 0.495 -2.076 -7.190
198 H CYS 35 H CYS 35 -1.512 -0.116 -4.316
199 HA CYS 35 HA CYS 35 -3.849 1.379 -3.734
200 HB2 CYS 35 2HB CYS 35 -1.651 0.448 -1.929
201 HB3 CYS 35 1HB CYS 35 -3.246 0.993 -1.410
202 H TYR 36 H TYR 36 -0.504 1.915 -2.884
203 HA TYR 36 HA TYR 36 -0.642 4.399 -1.736
204 HB2 TYR 36 2HB TYR 36 1.356 3.149 -1.547
205 HB3 TYR 36 1HB TYR 36 1.524 3.031 -3.291
206 HD1 TYR 36 2HD TYR 36 1.609 5.491 -0.498
207 HD2 TYR 36 1HD TYR 36 2.833 4.544 -4.451
208 HE1 TYR 36 2HE TYR 36 3.067 7.466 -0.514
209 HE2 TYR 36 1HE TYR 36 4.285 6.504 -4.489
210 HH TYR 36 HH TYR 36 4.650 8.511 -3.452
211 H LYS 37 H LYS 37 0.019 3.658 -5.146
212 HA LYS 37 HA LYS 37 0.333 6.348 -5.915
213 HB2 LYS 37 2HB LYS 37 1.033 4.059 -7.039
214 HB3 LYS 37 1HB LYS 37 -0.515 4.208 -7.839
215 HG2 LYS 37 2HG LYS 37 1.706 6.244 -7.963
216 HG3 LYS 37 1HG LYS 37 1.387 5.024 -9.184
217 HD2 LYS 37 2HD LYS 37 -0.845 6.045 -9.554
218 HD3 LYS 37 1HD LYS 37 -0.447 7.276 -8.356
219 HE2 LYS 37 2HE LYS 37 -0.072 8.170 -10.557
220 HE3 LYS 37 1HE LYS 37 1.482 7.940 -9.755
221 HZ1 LYS 37 3HZ LYS 37 1.751 5.863 -11.003
222 HZ2 LYS 37 1HZ LYS 37 1.566 7.177 -12.040
223 HZ3 LYS 37 2HZ LYS 37 0.287 6.138 -11.785
224 H SER 38 H SER 38 -2.464 4.229 -5.668
225 HA SER 38 HA SER 38 -4.137 6.158 -7.029
226 HB2 SER 38 2HB SER 38 -4.431 3.696 -7.402
227 HB3 SER 38 1HB SER 38 -4.901 3.533 -5.717
228 HG SER 38 HG SER 38 -6.264 5.449 -7.121
229 H TYR 39 H TYR 39 -2.817 6.163 -4.099
230 HA TYR 39 HA TYR 39 -3.157 7.335 -2.211
231 HB2 TYR 39 2HB TYR 39 -5.543 8.414 -3.730
232 HB3 TYR 39 1HB TYR 39 -5.119 8.976 -2.122
233 HD1 TYR 39 2HD TYR 39 -3.551 8.525 -5.503
234 HD2 TYR 39 1HD TYR 39 -3.785 10.862 -1.966
235 HE1 TYR 39 2HE TYR 39 -2.014 10.165 -6.489
236 HE2 TYR 39 1HE TYR 39 -2.250 12.506 -2.948
237 HH TYR 39 HH TYR 39 -0.524 12.626 -4.690
238 H ASN 40 H ASN 40 -4.308 4.644 -2.548
239 HA ASN 40 HA ASN 40 -6.521 4.754 -0.614
240 HB2 ASN 40 2HB ASN 40 -5.761 2.658 -2.637
241 HB3 ASN 40 1HB ASN 40 -6.808 2.276 -1.280
242 HD21 ASN 40 1HD2 ASN 40 -6.560 3.970 -4.330
243 HD22 ASN 40 2HD2 ASN 40 -8.234 4.352 -4.413
244 H SER 41 H SER 41 -6.574 3.307 1.179
245 HA SER 41 HA SER 41 -3.988 2.868 2.330
246 HB2 SER 41 2HB SER 41 -5.397 2.226 4.309
247 HB3 SER 41 1HB SER 41 -5.703 3.852 3.700
248 HG SER 41 HG SER 41 -7.588 2.530 4.157
249 H CYS 42 H CYS 42 -3.376 0.791 3.258
250 HA CYS 42 HA CYS 42 -4.135 -1.373 1.459
251 HB2 CYS 42 2HB CYS 42 -1.723 -0.938 3.162
252 HB3 CYS 42 1HB CYS 42 -2.108 -2.539 2.536
253 H ALA 43 H ALA 43 -5.497 -0.483 4.083
254 HA ALA 43 HA ALA 43 -5.576 -2.866 5.639
255 HB1 ALA 43 1HB ALA 43 -6.385 -0.698 6.521
256 HB2 ALA 43 2HB ALA 43 -7.648 -1.926 6.586
257 HB3 ALA 43 3HB ALA 43 -7.678 -0.703 5.319
258 H GLY 44 H GLY 44 -6.188 -4.748 4.784
259 HA2 GLY 44 2HA GLY 44 -8.021 -6.109 3.949
260 HA3 GLY 44 1HA GLY 44 -8.487 -4.741 2.948
261 H CYS 45 H CYS 45 -5.162 -5.076 2.990
262 HA CYS 45 HA CYS 45 -5.206 -6.399 0.380
263 HB2 CYS 45 2HB CYS 45 -3.003 -4.908 1.801
264 HB3 CYS 45 1HB CYS 45 -2.842 -5.674 0.226
265 H HIS 46 H HIS 46 -3.073 -7.722 0.066
266 HA HIS 46 HA HIS 46 -2.875 -9.566 2.333
267 HB2 HIS 46 2HB HIS 46 -3.633 -10.242 -0.086
268 HB3 HIS 46 1HB HIS 46 -1.919 -10.105 -0.461
269 HD1 HIS 46 1HD HIS 46 -0.455 -11.569 1.526
270 HD2 HIS 46 2HD HIS 46 -4.268 -12.737 0.462
271 HE1 HIS 46 1HE HIS 46 -0.629 -13.981 2.217
272 HE2 HIS 46 2HE HIS 46 -3.059 -14.500 1.906
273 H CYS 47 H CYS 47 -1.559 -6.961 1.834
274 HA CYS 47 HA CYS 47 1.151 -7.582 1.202
275 HB2 CYS 47 2HB CYS 47 1.599 -5.165 1.724
276 HB3 CYS 47 1HB CYS 47 0.432 -5.445 0.441
277 H VAL 48 H VAL 48 2.862 -7.590 2.462
278 HA VAL 48 HA VAL 48 2.381 -7.935 5.352
279 HB VAL 48 HB VAL 48 4.445 -9.376 3.651
280 HG11 VAL 48 1HG1 VAL 48 3.665 -9.801 6.530
281 HG12 VAL 48 2HG1 VAL 48 5.167 -9.081 5.948
282 HG13 VAL 48 3HG1 VAL 48 4.822 -10.777 5.621
283 HG21 VAL 48 3HG2 VAL 48 2.225 -10.189 3.078
284 HG22 VAL 48 1HG2 VAL 48 1.857 -10.433 4.786
285 HG23 VAL 48 2HG2 VAL 48 3.096 -11.413 4.000
286 H GLY 49 H GLY 49 3.418 -6.453 6.498
287 HA2 GLY 49 2HA GLY 49 5.083 -5.014 7.198
288 HA3 GLY 49 1HA GLY 49 6.113 -5.626 5.901
289 H CYS 50 H CYS 50 2.926 -4.354 5.661
290 HA CYS 50 HA CYS 50 3.509 -2.707 3.449
291 HB2 CYS 50 2HB CYS 50 1.340 -3.539 3.531
292 HB3 CYS 50 1HB CYS 50 1.144 -3.104 5.227
293 H LYS 51 H LYS 51 4.808 -1.026 3.745
294 HA LYS 51 HA LYS 51 4.098 0.841 5.876
295 HB2 LYS 51 2HB LYS 51 6.320 1.115 3.825
296 HB3 LYS 51 1HB LYS 51 6.134 2.026 5.317
297 HG2 LYS 51 2HG LYS 51 6.795 -0.903 5.086
298 HG3 LYS 51 1HG LYS 51 7.907 0.392 5.526
299 HD2 LYS 51 2HD LYS 51 6.645 0.829 7.544
300 HD3 LYS 51 1HD LYS 51 5.435 -0.365 7.072
301 HE2 LYS 51 2HE LYS 51 7.160 -2.114 7.157
302 HE3 LYS 51 1HE LYS 51 8.334 -0.911 7.688
303 HZ1 LYS 51 3HZ LYS 51 7.047 -0.544 9.662
304 HZ2 LYS 51 1HZ LYS 51 7.388 -2.191 9.510
305 HZ3 LYS 51 2HZ LYS 51 5.851 -1.615 9.136
306 H ASN 52 H ASN 52 2.160 1.576 5.062
307 HA ASN 52 HA ASN 52 2.274 2.942 2.478
308 HB2 ASN 52 2HB ASN 52 0.542 1.113 2.760
309 HB3 ASN 52 1HB ASN 52 -0.203 2.098 4.009
310 HD21 ASN 52 1HD2 ASN 52 -1.418 1.216 1.607
311 HD22 ASN 52 2HD2 ASN 52 -1.864 2.620 0.700
312 HA PRO 53 HA PRO 53 2.254 6.541 5.247
313 HB2 PRO 53 2HB PRO 53 2.089 7.991 2.685
314 HB3 PRO 53 1HB PRO 53 3.276 8.149 3.981
315 HG2 PRO 53 2HG PRO 53 3.914 6.993 1.663
316 HG3 PRO 53 1HG PRO 53 4.546 6.377 3.202
317 HD2 PRO 53 2HD PRO 53 2.323 5.309 1.505
318 HD3 PRO 53 1HD PRO 53 3.607 4.446 2.380
319 H HIS 54 H HIS 54 -0.060 5.529 2.938
320 HA HIS 54 HA HIS 54 -1.810 7.745 3.379
321 HB2 HIS 54 2HB HIS 54 -2.092 5.273 1.753
322 HB3 HIS 54 1HB HIS 54 -3.506 6.267 2.113
323 HD1 HIS 54 1HD HIS 54 -3.495 8.655 1.240
324 HD2 HIS 54 2HD HIS 54 -0.379 6.313 -0.153
325 HE1 HIS 54 1HE HIS 54 -2.492 9.946 -0.684
326 HE2 HIS 54 2HE HIS 54 -0.405 8.691 -1.188
327 H LYS 55 H LYS 55 -2.251 7.898 5.330
328 HA LYS 55 HA LYS 55 -4.321 6.136 6.258
329 HB2 LYS 55 2HB LYS 55 -2.021 5.661 7.395
330 HB3 LYS 55 1HB LYS 55 -2.244 7.214 8.171
331 HG2 LYS 55 2HG LYS 55 -4.222 4.959 8.395
332 HG3 LYS 55 1HG LYS 55 -2.883 5.172 9.518
333 HD2 LYS 55 2HD LYS 55 -3.827 7.417 10.102
334 HD3 LYS 55 1HD LYS 55 -5.194 7.080 9.042
335 HE2 LYS 55 2HE LYS 55 -5.879 5.229 10.401
336 HE3 LYS 55 1HE LYS 55 -4.412 5.330 11.369
337 HZ1 LYS 55 3HZ LYS 55 -6.276 6.260 12.540
338 HZ2 LYS 55 1HZ LYS 55 -6.601 7.399 11.346
339 HZ3 LYS 55 2HZ LYS 55 -5.162 7.460 12.217
340 H GLU 56 H GLU 56 -5.167 7.999 5.036
341 HA GLU 56 HA GLU 56 -5.337 10.533 6.265
342 HB2 GLU 56 2HB GLU 56 -7.096 9.054 4.287
343 HB3 GLU 56 1HB GLU 56 -7.460 10.675 4.842
344 HG2 GLU 56 2HG GLU 56 -6.422 10.733 2.653
345 HG3 GLU 56 1HG GLU 56 -5.373 11.487 3.841
346 H ASP 57 H ASP 57 -6.714 11.112 7.937
347 HA ASP 57 HA ASP 57 -7.901 8.760 9.141
348 HB2 ASP 57 2HB ASP 57 -6.399 10.340 10.473
349 HB3 ASP 57 1HB ASP 57 -7.829 11.397 10.387
350 H TYR 58 H TYR 58 -9.444 8.622 7.792
351 HA TYR 58 HA TYR 58 -11.689 10.414 8.234
352 HB2 TYR 58 2HB TYR 58 -12.791 9.320 6.277
353 HB3 TYR 58 1HB TYR 58 -11.283 10.105 5.847
354 HD1 TYR 58 1HD TYR 58 -9.245 8.617 5.485
355 HD2 TYR 58 2HD TYR 58 -13.176 7.038 5.789
356 HE1 TYR 58 1HE TYR 58 -8.496 6.555 4.386
357 HE2 TYR 58 2HE TYR 58 -12.438 4.969 4.699
358 HH TYR 58 HH TYR 58 -9.267 4.134 4.400
359 H VAL 59 H VAL 59 -13.463 9.685 9.241
360 HA VAL 59 HA VAL 59 -13.099 7.143 10.609
361 HB VAL 59 HB VAL 59 -15.099 9.337 11.230
362 HG11 VAL 59 1HG1 VAL 59 -15.338 8.204 13.385
363 HG12 VAL 59 2HG1 VAL 59 -14.235 6.940 12.839
364 HG13 VAL 59 3HG1 VAL 59 -15.793 7.154 12.043
365 HG21 VAL 59 3HG2 VAL 59 -12.442 8.746 12.530
366 HG22 VAL 59 1HG2 VAL 59 -13.623 9.929 13.092
367 HG23 VAL 59 2HG2 VAL 59 -12.827 10.155 11.537
Start of MODEL 15
1 H1 SER 8 1HT SER 8 -17.426 -5.391 -10.253
2 H2 SER 8 2HT SER 8 -17.995 -3.859 -10.693
3 H3 SER 8 3HT SER 8 -19.069 -5.031 -10.132
4 HA SER 8 HA SER 8 -18.650 -3.435 -8.433
5 HB2 SER 8 2HB SER 8 -17.363 -6.115 -7.884
6 HB3 SER 8 1HB SER 8 -18.154 -5.058 -6.714
7 HG SER 8 HG SER 8 -20.104 -5.346 -7.974
8 HA PRO 9 HA PRO 9 -14.328 -2.133 -9.056
9 HB2 PRO 9 2HB PRO 9 -15.135 0.403 -7.883
10 HB3 PRO 9 1HB PRO 9 -14.607 0.079 -9.535
11 HG2 PRO 9 2HG PRO 9 -17.152 0.775 -8.898
12 HG3 PRO 9 1HG PRO 9 -16.747 -0.240 -10.292
13 HD2 PRO 9 2HD PRO 9 -17.765 -1.042 -7.592
14 HD3 PRO 9 1HD PRO 9 -18.224 -1.648 -9.198
15 HA PRO 10 HA PRO 10 -13.539 -2.588 -4.666
16 HB2 PRO 10 2HB PRO 10 -11.244 -3.948 -4.881
17 HB3 PRO 10 1HB PRO 10 -12.802 -4.732 -5.164
18 HG2 PRO 10 2HG PRO 10 -10.738 -3.872 -7.112
19 HG3 PRO 10 1HG PRO 10 -11.895 -5.211 -7.213
20 HD2 PRO 10 2HD PRO 10 -12.135 -2.652 -8.422
21 HD3 PRO 10 1HD PRO 10 -13.378 -3.917 -8.333
22 H LYS 11 H LYS 11 -11.984 -1.599 -3.311
23 HA LYS 11 HA LYS 11 -10.441 0.443 -4.592
24 HB2 LYS 11 2HB LYS 11 -9.608 0.957 -2.244
25 HB3 LYS 11 1HB LYS 11 -11.329 1.144 -2.495
26 HG2 LYS 11 2HG LYS 11 -11.773 -0.928 -1.345
27 HG3 LYS 11 1HG LYS 11 -10.048 -1.258 -1.197
28 HD2 LYS 11 2HD LYS 11 -11.298 1.236 -0.056
29 HD3 LYS 11 1HD LYS 11 -11.231 -0.273 0.849
30 HE2 LYS 11 2HE LYS 11 -8.765 0.977 -0.353
31 HE3 LYS 11 1HE LYS 11 -9.352 1.411 1.251
32 HZ1 LYS 11 3HZ LYS 11 -8.877 -1.399 0.510
33 HZ2 LYS 11 1HZ LYS 11 -9.003 -0.744 2.035
34 HZ3 LYS 11 2HZ LYS 11 -7.609 -0.472 1.094
35 HA PRO 12 HA PRO 12 -7.024 -1.914 -5.745
36 HB2 PRO 12 2HB PRO 12 -5.045 -0.062 -4.942
37 HB3 PRO 12 1HB PRO 12 -5.718 -0.342 -6.551
38 HG2 PRO 12 2HG PRO 12 -6.355 1.766 -4.575
39 HG3 PRO 12 1HG PRO 12 -6.586 1.775 -6.324
40 HD2 PRO 12 2HD PRO 12 -8.622 1.547 -4.550
41 HD3 PRO 12 1HD PRO 12 -8.677 0.851 -6.178
42 H LYS 13 H LYS 13 -5.921 -3.378 -4.927
43 HA LYS 13 HA LYS 13 -4.962 -3.223 -2.188
44 HB2 LYS 13 2HB LYS 13 -5.800 -5.505 -1.739
45 HB3 LYS 13 1HB LYS 13 -7.096 -4.350 -1.995
46 HG2 LYS 13 2HG LYS 13 -7.193 -5.219 -4.380
47 HG3 LYS 13 1HG LYS 13 -6.145 -6.527 -3.830
48 HD2 LYS 13 2HD LYS 13 -8.869 -5.825 -2.727
49 HD3 LYS 13 1HD LYS 13 -8.484 -7.206 -3.745
50 HE2 LYS 13 2HE LYS 13 -7.058 -8.133 -1.979
51 HE3 LYS 13 1HE LYS 13 -7.348 -6.710 -0.991
52 HZ1 LYS 13 3HZ LYS 13 -8.754 -8.519 -0.282
53 HZ2 LYS 13 1HZ LYS 13 -9.431 -8.656 -1.830
54 HZ3 LYS 13 2HZ LYS 13 -9.682 -7.276 -0.921
55 H CYS 14 H CYS 14 -3.300 -4.751 -1.724
56 HA CYS 14 HA CYS 14 -1.918 -5.668 -4.134
57 HB2 CYS 14 2HB CYS 14 0.173 -4.723 -3.242
58 HB3 CYS 14 1HB CYS 14 -1.032 -3.481 -3.582
59 H ARG 15 H ARG 15 0.075 -6.871 -3.426
60 HA ARG 15 HA ARG 15 -0.299 -8.448 -0.985
61 HB2 ARG 15 2HB ARG 15 0.298 -10.465 -2.366
62 HB3 ARG 15 1HB ARG 15 -1.287 -9.780 -2.718
63 HG2 ARG 15 2HG ARG 15 -0.360 -8.661 -4.668
64 HG3 ARG 15 1HG ARG 15 1.219 -9.376 -4.325
65 HD2 ARG 15 2HD ARG 15 0.321 -11.579 -4.636
66 HD3 ARG 15 1HD ARG 15 -1.305 -10.918 -4.844
67 HE ARG 15 HE ARG 15 0.397 -9.733 -6.707
68 HH11 ARG 15 1HH1 ARG 15 -1.010 -12.899 -6.042
69 HH12 ARG 15 2HH1 ARG 15 -1.073 -13.374 -7.673
70 HH21 ARG 15 1HH2 ARG 15 0.275 -10.331 -8.914
71 HH22 ARG 15 2HH2 ARG 15 -0.319 -11.862 -9.375
72 H CYS 16 H CYS 16 1.403 -6.300 -1.463
73 HA CYS 16 HA CYS 16 4.002 -6.918 -2.321
74 HB2 CYS 16 2HB CYS 16 3.170 -4.906 -0.222
75 HB3 CYS 16 1HB CYS 16 4.693 -4.938 -1.103
76 H GLY 17 H GLY 17 5.838 -7.521 -1.208
77 HA2 GLY 17 2HA GLY 17 7.093 -8.094 0.696
78 HA3 GLY 17 1HA GLY 17 5.602 -8.223 1.617
79 H ILE 18 H ILE 18 4.531 -9.825 -0.756
80 HA ILE 18 HA ILE 18 5.230 -12.360 0.365
81 HB ILE 18 HB ILE 18 3.437 -11.725 -1.991
82 HG12 ILE 18 2HG1 ILE 18 2.853 -12.235 0.928
83 HG13 ILE 18 1HG1 ILE 18 2.569 -10.758 0.028
84 HG21 ILE 18 1HG2 ILE 18 2.543 -13.996 -1.724
85 HG22 ILE 18 2HG2 ILE 18 3.725 -14.311 -0.458
86 HG23 ILE 18 3HG2 ILE 18 4.266 -14.027 -2.111
87 HD11 ILE 18 3HD1 ILE 18 1.110 -13.372 -0.283
88 HD12 ILE 18 1HD1 ILE 18 0.898 -11.987 -1.355
89 HD13 ILE 18 2HD1 ILE 18 0.479 -11.852 0.348
90 H SER 19 H SER 19 5.652 -10.865 -2.851
91 HA SER 19 HA SER 19 7.697 -12.887 -3.368
92 HB2 SER 19 2HB SER 19 5.719 -11.876 -5.417
93 HB3 SER 19 1HB SER 19 6.933 -13.134 -5.646
94 HG SER 19 HG SER 19 5.797 -14.238 -3.865
95 H GLY 20 H GLY 20 9.093 -11.140 -2.609
96 HA2 GLY 20 2HA GLY 20 10.864 -9.804 -3.175
97 HA3 GLY 20 1HA GLY 20 10.306 -9.827 -4.834
98 H SER 21 H SER 21 8.162 -8.564 -5.040
99 HA SER 21 HA SER 21 7.169 -6.567 -5.249
100 HB2 SER 21 2HB SER 21 8.282 -6.009 -2.474
101 HB3 SER 21 1HB SER 21 7.005 -5.085 -3.273
102 HG SER 21 HG SER 21 6.025 -7.304 -3.485
103 H SER 22 H SER 22 7.751 -3.980 -5.054
104 HA SER 22 HA SER 22 10.001 -3.711 -6.750
105 HB2 SER 22 2HB SER 22 8.340 -1.613 -5.354
106 HB3 SER 22 1HB SER 22 9.371 -1.378 -6.772
107 HG SER 22 HG SER 22 8.049 -3.070 -7.752
108 H ASN 23 H ASN 23 9.276 -3.031 -3.420
109 HA ASN 23 HA ASN 23 12.059 -3.124 -2.752
110 HB2 ASN 23 2HB ASN 23 11.547 -0.678 -3.133
111 HB3 ASN 23 1HB ASN 23 10.284 -0.794 -1.916
112 HD21 ASN 23 1HD2 ASN 23 12.677 0.870 -2.004
113 HD22 ASN 23 2HD2 ASN 23 13.593 0.496 -0.585
114 H THR 24 H THR 24 12.162 -4.341 -0.927
115 HA THR 24 HA THR 24 9.724 -5.424 0.062
116 HB THR 24 HB THR 24 12.556 -5.888 1.032
117 HG1 THR 24 1HG THR 24 11.012 -6.935 -1.114
118 HG21 THR 24 3HG2 THR 24 10.064 -7.613 1.216
119 HG22 THR 24 1HG2 THR 24 10.792 -6.736 2.556
120 HG23 THR 24 2HG2 THR 24 11.673 -8.057 1.801
121 H LEU 25 H LEU 25 11.893 -2.912 1.148
122 HA LEU 25 HA LEU 25 10.778 -2.899 3.832
123 HB2 LEU 25 2HB LEU 25 12.602 -0.896 2.491
124 HB3 LEU 25 1HB LEU 25 12.098 -0.830 4.158
125 HG LEU 25 HG LEU 25 13.332 -3.046 4.458
126 HD11 LEU 25 1HD1 LEU 25 14.530 -2.217 1.825
127 HD12 LEU 25 2HD1 LEU 25 13.558 -3.660 2.113
128 HD13 LEU 25 3HD1 LEU 25 15.139 -3.489 2.882
129 HD21 LEU 25 3HD2 LEU 25 14.865 -0.557 3.749
130 HD22 LEU 25 1HD2 LEU 25 15.464 -1.898 4.722
131 HD23 LEU 25 2HD2 LEU 25 14.125 -0.914 5.307
132 H THR 26 H THR 26 10.666 -1.086 0.904
133 HA THR 26 HA THR 26 8.712 0.836 1.969
134 HB THR 26 HB THR 26 10.461 1.022 -0.514
135 HG1 THR 26 1HG THR 26 12.005 1.952 0.790
136 HG21 THR 26 3HG2 THR 26 8.572 2.638 -0.365
137 HG22 THR 26 1HG2 THR 26 10.138 3.438 -0.245
138 HG23 THR 26 2HG2 THR 26 9.192 3.164 1.209
139 H THR 27 H THR 27 7.759 -1.643 1.390
140 HA THR 27 HA THR 27 7.136 -2.547 -1.094
141 HB THR 27 HB THR 27 5.076 -3.358 0.176
142 HG1 THR 27 1HG THR 27 6.088 -3.071 2.627
143 HG21 THR 27 3HG2 THR 27 7.845 -4.053 1.206
144 HG22 THR 27 1HG2 THR 27 7.063 -4.763 -0.211
145 HG23 THR 27 2HG2 THR 27 6.391 -5.037 1.390
146 H CYS 28 H CYS 28 4.925 -0.948 1.003
147 HA CYS 28 HA CYS 28 3.167 -0.289 -1.166
148 HB2 CYS 28 2HB CYS 28 2.809 -0.162 1.798
149 HB3 CYS 28 1HB CYS 28 1.531 0.162 0.612
150 H ARG 29 H ARG 29 5.637 1.270 0.170
151 HA ARG 29 HA ARG 29 4.333 3.879 0.194
152 HB2 ARG 29 2HB ARG 29 5.683 3.332 2.151
153 HB3 ARG 29 1HB ARG 29 7.092 3.069 1.142
154 HG2 ARG 29 2HG ARG 29 7.030 5.478 0.528
155 HG3 ARG 29 1HG ARG 29 5.670 5.675 1.613
156 HD2 ARG 29 2HD ARG 29 6.961 5.117 3.516
157 HD3 ARG 29 1HD ARG 29 8.326 4.597 2.528
158 HE ARG 29 HE ARG 29 8.069 7.128 1.781
159 HH11 ARG 29 1HH1 ARG 29 8.096 5.735 5.034
160 HH12 ARG 29 2HH1 ARG 29 8.900 7.046 5.754
161 HH21 ARG 29 1HH2 ARG 29 9.245 8.935 2.780
162 HH22 ARG 29 2HH2 ARG 29 9.588 8.873 4.448
163 H ASN 30 H ASN 30 5.852 2.025 -2.022
164 HA ASN 30 HA ASN 30 7.017 4.379 -3.322
165 HB2 ASN 30 2HB ASN 30 8.428 3.004 -4.670
166 HB3 ASN 30 1HB ASN 30 8.523 2.325 -3.055
167 HD21 ASN 30 1HD2 ASN 30 7.658 0.288 -2.677
168 HD22 ASN 30 2HD2 ASN 30 7.162 -0.733 -3.977
169 H SER 31 H SER 31 6.694 4.538 -5.686
170 HA SER 31 HA SER 31 3.932 4.712 -6.106
171 HB2 SER 31 2HB SER 31 6.189 5.158 -8.037
172 HB3 SER 31 1HB SER 31 4.521 5.705 -8.234
173 HG SER 31 HG SER 31 4.763 7.150 -6.759
174 H ARG 32 H ARG 32 5.831 1.945 -6.595
175 HA ARG 32 HA ARG 32 4.280 1.156 -8.907
176 HB2 ARG 32 2HB ARG 32 6.390 -0.390 -7.397
177 HB3 ARG 32 1HB ARG 32 5.606 -0.918 -8.878
178 HG2 ARG 32 2HG ARG 32 6.574 0.977 -10.075
179 HG3 ARG 32 1HG ARG 32 7.326 1.524 -8.576
180 HD2 ARG 32 2HD ARG 32 8.518 -0.653 -8.467
181 HD3 ARG 32 1HD ARG 32 7.874 -1.038 -10.063
182 HE ARG 32 HE ARG 32 9.011 1.193 -10.653
183 HH11 ARG 32 1HH1 ARG 32 10.304 -1.418 -8.650
184 HH12 ARG 32 2HH1 ARG 32 11.930 -0.918 -8.746
185 HH21 ARG 32 1HH2 ARG 32 11.294 1.845 -10.876
186 HH22 ARG 32 2HH2 ARG 32 12.488 0.960 -10.055
187 H CYS 33 H CYS 33 3.835 1.196 -5.642
188 HA CYS 33 HA CYS 33 2.317 -1.250 -5.504
189 HB2 CYS 33 2HB CYS 33 3.457 -0.410 -3.476
190 HB3 CYS 33 1HB CYS 33 2.508 1.069 -3.549
191 HA PRO 34 HA PRO 34 -1.141 0.615 -7.581
192 HB2 PRO 34 2HB PRO 34 -3.070 -1.133 -6.613
193 HB3 PRO 34 1HB PRO 34 -2.063 -1.420 -8.033
194 HG2 PRO 34 2HG PRO 34 -1.736 -2.413 -5.245
195 HG3 PRO 34 1HG PRO 34 -1.431 -3.251 -6.773
196 HD2 PRO 34 2HD PRO 34 0.561 -2.275 -5.290
197 HD3 PRO 34 1HD PRO 34 0.627 -2.223 -7.067
198 H CYS 35 H CYS 35 -1.310 -0.194 -4.198
199 HA CYS 35 HA CYS 35 -3.603 1.317 -3.549
200 HB2 CYS 35 2HB CYS 35 -1.273 0.469 -1.871
201 HB3 CYS 35 1HB CYS 35 -2.744 1.186 -1.226
202 H TYR 36 H TYR 36 -0.203 2.012 -3.062
203 HA TYR 36 HA TYR 36 -0.413 4.609 -2.108
204 HB2 TYR 36 2HB TYR 36 1.630 3.266 -2.013
205 HB3 TYR 36 1HB TYR 36 1.767 3.348 -3.764
206 HD1 TYR 36 2HD TYR 36 2.538 5.368 -4.846
207 HD2 TYR 36 1HD TYR 36 2.184 5.176 -0.625
208 HE1 TYR 36 2HE TYR 36 3.905 7.372 -4.672
209 HE2 TYR 36 1HE TYR 36 3.564 7.197 -0.410
210 HH TYR 36 HH TYR 36 4.208 9.220 -2.966
211 H LYS 37 H LYS 37 0.060 3.468 -5.433
212 HA LYS 37 HA LYS 37 0.192 6.086 -6.521
213 HB2 LYS 37 2HB LYS 37 1.017 3.690 -7.382
214 HB3 LYS 37 1HB LYS 37 -0.514 3.740 -8.232
215 HG2 LYS 37 2HG LYS 37 1.598 5.878 -8.437
216 HG3 LYS 37 1HG LYS 37 1.485 4.516 -9.542
217 HD2 LYS 37 2HD LYS 37 -0.748 5.256 -10.234
218 HD3 LYS 37 1HD LYS 37 -0.659 6.596 -9.092
219 HE2 LYS 37 2HE LYS 37 -0.155 7.351 -11.355
220 HE3 LYS 37 1HE LYS 37 1.260 7.506 -10.321
221 HZ1 LYS 37 3HZ LYS 37 2.182 5.537 -11.308
222 HZ2 LYS 37 1HZ LYS 37 1.773 6.632 -12.507
223 HZ3 LYS 37 2HZ LYS 37 0.800 5.285 -12.256
224 H SER 38 H SER 38 -2.463 3.845 -5.914
225 HA SER 38 HA SER 38 -4.269 5.702 -7.245
226 HB2 SER 38 2HB SER 38 -4.738 2.879 -6.290
227 HB3 SER 38 1HB SER 38 -5.942 3.886 -7.100
228 HG SER 38 HG SER 38 -4.264 4.060 -8.807
229 H TYR 39 H TYR 39 -2.969 5.955 -4.540
230 HA TYR 39 HA TYR 39 -3.429 7.240 -2.714
231 HB2 TYR 39 2HB TYR 39 -6.097 7.736 -4.031
232 HB3 TYR 39 1HB TYR 39 -5.357 8.729 -2.787
233 HD1 TYR 39 2HD TYR 39 -2.945 9.663 -3.429
234 HD2 TYR 39 1HD TYR 39 -5.847 8.330 -6.234
235 HE1 TYR 39 2HE TYR 39 -1.827 10.947 -5.191
236 HE2 TYR 39 1HE TYR 39 -4.734 9.609 -8.000
237 HH TYR 39 HH TYR 39 -3.285 11.567 -8.157
238 H ASN 40 H ASN 40 -4.102 4.413 -2.520
239 HA ASN 40 HA ASN 40 -6.279 4.567 -0.549
240 HB2 ASN 40 2HB ASN 40 -5.754 2.535 -2.645
241 HB3 ASN 40 1HB ASN 40 -6.443 1.997 -1.117
242 HD21 ASN 40 1HD2 ASN 40 -6.954 4.071 -3.916
243 HD22 ASN 40 2HD2 ASN 40 -8.652 4.159 -3.723
244 H SER 41 H SER 41 -6.187 3.313 1.329
245 HA SER 41 HA SER 41 -3.670 2.803 2.405
246 HB2 SER 41 2HB SER 41 -6.337 1.958 3.396
247 HB3 SER 41 1HB SER 41 -4.932 2.542 4.268
248 HG SER 41 HG SER 41 -5.292 4.560 3.718
249 H CYS 42 H CYS 42 -3.664 0.583 3.680
250 HA CYS 42 HA CYS 42 -4.136 -1.479 1.669
251 HB2 CYS 42 2HB CYS 42 -1.923 -1.218 3.656
252 HB3 CYS 42 1HB CYS 42 -2.288 -2.747 2.857
253 H ALA 43 H ALA 43 -5.801 -0.517 4.002
254 HA ALA 43 HA ALA 43 -6.228 -2.772 5.599
255 HB1 ALA 43 1HB ALA 43 -8.436 -1.809 6.032
256 HB2 ALA 43 2HB ALA 43 -8.216 -0.693 4.683
257 HB3 ALA 43 3HB ALA 43 -7.184 -0.569 6.111
258 H GLY 44 H GLY 44 -6.526 -4.701 4.768
259 HA2 GLY 44 2HA GLY 44 -8.108 -6.246 3.833
260 HA3 GLY 44 1HA GLY 44 -8.577 -4.997 2.688
261 H CYS 45 H CYS 45 -5.215 -5.212 3.168
262 HA CYS 45 HA CYS 45 -4.956 -6.475 0.534
263 HB2 CYS 45 2HB CYS 45 -2.979 -4.864 2.140
264 HB3 CYS 45 1HB CYS 45 -2.644 -5.595 0.577
265 H HIS 46 H HIS 46 -2.820 -7.703 0.277
266 HA HIS 46 HA HIS 46 -2.599 -9.682 2.460
267 HB2 HIS 46 2HB HIS 46 -2.067 -9.873 -0.507
268 HB3 HIS 46 1HB HIS 46 -1.496 -11.092 0.612
269 HD1 HIS 46 1HD HIS 46 -3.236 -12.757 1.486
270 HD2 HIS 46 2HD HIS 46 -4.825 -9.858 -1.020
271 HE1 HIS 46 1HE HIS 46 -5.516 -13.572 0.885
272 HE2 HIS 46 2HE HIS 46 -6.228 -12.025 -0.933
273 H CYS 47 H CYS 47 -1.246 -6.999 1.901
274 HA CYS 47 HA CYS 47 1.467 -7.699 1.326
275 HB2 CYS 47 2HB CYS 47 1.950 -5.314 1.804
276 HB3 CYS 47 1HB CYS 47 0.808 -5.588 0.502
277 H VAL 48 H VAL 48 3.071 -7.891 2.584
278 HA VAL 48 HA VAL 48 2.709 -7.637 5.495
279 HB VAL 48 HB VAL 48 4.490 -9.657 4.068
280 HG11 VAL 48 1HG1 VAL 48 3.770 -9.380 6.982
281 HG12 VAL 48 2HG1 VAL 48 5.336 -9.023 6.253
282 HG13 VAL 48 3HG1 VAL 48 4.733 -10.682 6.287
283 HG21 VAL 48 3HG2 VAL 48 1.834 -10.138 5.435
284 HG22 VAL 48 1HG2 VAL 48 2.916 -11.391 4.824
285 HG23 VAL 48 2HG2 VAL 48 2.159 -10.256 3.707
286 H GLY 49 H GLY 49 4.238 -6.368 6.442
287 HA2 GLY 49 2HA GLY 49 6.228 -5.184 6.642
288 HA3 GLY 49 1HA GLY 49 6.726 -5.797 5.067
289 H CYS 50 H CYS 50 3.642 -4.388 5.648
290 HA CYS 50 HA CYS 50 3.858 -2.645 3.433
291 HB2 CYS 50 2HB CYS 50 1.797 -3.662 3.657
292 HB3 CYS 50 1HB CYS 50 1.726 -3.387 5.388
293 H LYS 51 H LYS 51 4.932 -0.803 3.631
294 HA LYS 51 HA LYS 51 4.282 0.908 5.946
295 HB2 LYS 51 2HB LYS 51 6.185 1.550 3.683
296 HB3 LYS 51 1HB LYS 51 6.063 2.359 5.228
297 HG2 LYS 51 2HG LYS 51 7.160 -0.391 4.726
298 HG3 LYS 51 1HG LYS 51 8.097 1.065 5.003
299 HD2 LYS 51 2HD LYS 51 7.003 1.213 7.257
300 HD3 LYS 51 1HD LYS 51 6.306 -0.381 6.937
301 HE2 LYS 51 2HE LYS 51 9.231 0.329 7.033
302 HE3 LYS 51 1HE LYS 51 8.352 -0.648 8.204
303 HZ1 LYS 51 3HZ LYS 51 7.979 -2.296 6.473
304 HZ2 LYS 51 1HZ LYS 51 9.618 -2.036 6.700
305 HZ3 LYS 51 2HZ LYS 51 8.855 -1.386 5.351
306 H ASN 52 H ASN 52 2.141 1.433 5.177
307 HA ASN 52 HA ASN 52 2.203 2.859 2.617
308 HB2 ASN 52 2HB ASN 52 0.537 0.947 2.873
309 HB3 ASN 52 1HB ASN 52 -0.284 1.940 4.070
310 HD21 ASN 52 1HD2 ASN 52 -1.354 0.997 1.638
311 HD22 ASN 52 2HD2 ASN 52 -1.794 2.385 0.701
312 HA PRO 53 HA PRO 53 1.989 6.443 5.374
313 HB2 PRO 53 2HB PRO 53 1.971 7.879 2.790
314 HB3 PRO 53 1HB PRO 53 3.061 8.063 4.164
315 HG2 PRO 53 2HG PRO 53 3.873 6.902 1.907
316 HG3 PRO 53 1HG PRO 53 4.422 6.320 3.490
317 HD2 PRO 53 2HD PRO 53 2.366 5.183 1.651
318 HD3 PRO 53 1HD PRO 53 3.585 4.361 2.641
319 H HIS 54 H HIS 54 -0.165 5.332 2.992
320 HA HIS 54 HA HIS 54 -2.116 7.412 3.529
321 HB2 HIS 54 2HB HIS 54 -2.356 4.955 1.757
322 HB3 HIS 54 1HB HIS 54 -3.608 6.172 1.956
323 HD1 HIS 54 1HD HIS 54 -3.522 8.138 0.368
324 HD2 HIS 54 2HD HIS 54 0.030 5.971 0.437
325 HE1 HIS 54 1HE HIS 54 -2.129 9.055 -1.487
326 HE2 HIS 54 2HE HIS 54 0.102 8.021 -1.114
327 H LYS 55 H LYS 55 -2.713 7.145 5.565
328 HA LYS 55 HA LYS 55 -3.228 4.550 6.694
329 HB2 LYS 55 2HB LYS 55 -3.938 7.284 7.823
330 HB3 LYS 55 1HB LYS 55 -4.154 5.767 8.654
331 HG2 LYS 55 2HG LYS 55 -2.215 6.805 9.565
332 HG3 LYS 55 1HG LYS 55 -1.668 5.447 8.596
333 HD2 LYS 55 2HD LYS 55 -0.233 7.359 8.229
334 HD3 LYS 55 1HD LYS 55 -1.147 7.023 6.759
335 HE2 LYS 55 2HE LYS 55 -2.759 8.812 7.482
336 HE3 LYS 55 1HE LYS 55 -1.651 9.179 8.798
337 HZ1 LYS 55 3HZ LYS 55 0.048 9.729 7.165
338 HZ2 LYS 55 1HZ LYS 55 -1.362 10.609 6.892
339 HZ3 LYS 55 2HZ LYS 55 -0.987 9.289 5.916
340 H GLU 56 H GLU 56 -5.189 3.684 7.101
341 HA GLU 56 HA GLU 56 -7.198 4.472 5.292
342 HB2 GLU 56 2HB GLU 56 -8.551 2.644 6.690
343 HB3 GLU 56 1HB GLU 56 -7.380 2.206 5.466
344 HG2 GLU 56 2HG GLU 56 -6.732 2.410 8.374
345 HG3 GLU 56 1HG GLU 56 -7.291 0.907 7.627
346 H ASP 57 H ASP 57 -8.536 5.905 5.474
347 HA ASP 57 HA ASP 57 -8.870 7.456 7.838
348 HB2 ASP 57 2HB ASP 57 -10.511 7.552 5.288
349 HB3 ASP 57 1HB ASP 57 -10.539 8.764 6.558
350 H TYR 58 H TYR 58 -10.462 4.897 6.479
351 HA TYR 58 HA TYR 58 -12.735 5.148 8.270
352 HB2 TYR 58 2HB TYR 58 -13.783 3.299 6.994
353 HB3 TYR 58 1HB TYR 58 -13.297 4.594 5.918
354 HD1 TYR 58 1HD TYR 58 -11.089 4.251 4.581
355 HD2 TYR 58 2HD TYR 58 -13.096 1.101 6.622
356 HE1 TYR 58 1HE TYR 58 -9.876 2.597 3.223
357 HE2 TYR 58 2HE TYR 58 -11.896 -0.546 5.274
358 HH TYR 58 HH TYR 58 -10.759 -0.743 3.317
359 H VAL 59 H VAL 59 -12.174 4.534 10.221
360 HA VAL 59 HA VAL 59 -11.049 1.877 10.465
361 HB VAL 59 HB VAL 59 -10.017 2.695 12.710
362 HG11 VAL 59 1HG1 VAL 59 -8.880 3.692 10.095
363 HG12 VAL 59 2HG1 VAL 59 -8.667 2.076 10.767
364 HG13 VAL 59 3HG1 VAL 59 -7.969 3.472 11.590
365 HG21 VAL 59 3HG2 VAL 59 -11.143 4.875 12.781
366 HG22 VAL 59 1HG2 VAL 59 -10.308 5.363 11.309
367 HG23 VAL 59 2HG2 VAL 59 -9.391 5.068 12.790
Start of MODEL 16
1 H1 SER 8 1HT SER 8 -19.266 -0.219 -2.085
2 H2 SER 8 2HT SER 8 -19.882 0.108 -3.630
3 H3 SER 8 3HT SER 8 -19.760 1.339 -2.491
4 HA SER 8 HA SER 8 -18.035 1.519 -4.088
5 HB2 SER 8 2HB SER 8 -17.664 2.240 -1.735
6 HB3 SER 8 1HB SER 8 -17.087 0.624 -1.338
7 HG SER 8 HG SER 8 -15.274 0.971 -2.416
8 HA PRO 9 HA PRO 9 -16.897 -2.536 -5.636
9 HB2 PRO 9 2HB PRO 9 -15.128 -1.632 -7.531
10 HB3 PRO 9 1HB PRO 9 -16.875 -1.663 -7.781
11 HG2 PRO 9 2HG PRO 9 -15.119 0.614 -6.970
12 HG3 PRO 9 1HG PRO 9 -16.458 0.597 -8.132
13 HD2 PRO 9 2HD PRO 9 -16.746 1.560 -5.646
14 HD3 PRO 9 1HD PRO 9 -18.065 0.694 -6.465
15 HA PRO 10 HA PRO 10 -13.270 -3.438 -3.212
16 HB2 PRO 10 2HB PRO 10 -12.551 -5.109 -5.583
17 HB3 PRO 10 1HB PRO 10 -12.548 -5.538 -3.866
18 HG2 PRO 10 2HG PRO 10 -14.512 -6.370 -5.428
19 HG3 PRO 10 1HG PRO 10 -14.856 -5.783 -3.790
20 HD2 PRO 10 2HD PRO 10 -15.322 -4.440 -6.412
21 HD3 PRO 10 1HD PRO 10 -16.267 -4.373 -4.910
22 H LYS 11 H LYS 11 -11.572 -2.265 -3.006
23 HA LYS 11 HA LYS 11 -10.411 -0.724 -5.133
24 HB2 LYS 11 2HB LYS 11 -8.883 0.093 -3.378
25 HB3 LYS 11 1HB LYS 11 -10.553 0.134 -2.829
26 HG2 LYS 11 2HG LYS 11 -10.228 -1.838 -1.500
27 HG3 LYS 11 1HG LYS 11 -8.611 -2.063 -2.152
28 HD2 LYS 11 2HD LYS 11 -8.378 -1.154 0.047
29 HD3 LYS 11 1HD LYS 11 -7.963 0.112 -1.091
30 HE2 LYS 11 2HE LYS 11 -10.684 -0.127 0.203
31 HE3 LYS 11 1HE LYS 11 -9.371 0.793 0.916
32 HZ1 LYS 11 3HZ LYS 11 -9.390 2.222 -1.095
33 HZ2 LYS 11 1HZ LYS 11 -10.842 2.212 -0.264
34 HZ3 LYS 11 2HZ LYS 11 -10.735 1.367 -1.687
35 HA PRO 12 HA PRO 12 -7.246 -3.643 -6.121
36 HB2 PRO 12 2HB PRO 12 -5.086 -1.798 -6.203
37 HB3 PRO 12 1HB PRO 12 -5.919 -2.588 -7.532
38 HG2 PRO 12 2HG PRO 12 -6.092 0.143 -6.982
39 HG3 PRO 12 1HG PRO 12 -7.261 -0.772 -7.940
40 HD2 PRO 12 2HD PRO 12 -7.446 0.156 -5.123
41 HD3 PRO 12 1HD PRO 12 -8.726 -0.121 -6.317
42 H LYS 13 H LYS 13 -6.202 -4.883 -4.943
43 HA LYS 13 HA LYS 13 -5.154 -3.868 -2.418
44 HB2 LYS 13 2HB LYS 13 -5.735 -6.099 -1.415
45 HB3 LYS 13 1HB LYS 13 -7.091 -5.078 -1.853
46 HG2 LYS 13 2HG LYS 13 -7.258 -6.444 -3.989
47 HG3 LYS 13 1HG LYS 13 -6.111 -7.562 -3.252
48 HD2 LYS 13 2HD LYS 13 -8.798 -6.770 -2.110
49 HD3 LYS 13 1HD LYS 13 -8.424 -8.300 -2.901
50 HE2 LYS 13 2HE LYS 13 -6.909 -8.902 -1.150
51 HE3 LYS 13 1HE LYS 13 -7.048 -7.306 -0.413
52 HZ1 LYS 13 3HZ LYS 13 -9.209 -9.336 -0.613
53 HZ2 LYS 13 1HZ LYS 13 -9.381 -7.779 0.017
54 HZ3 LYS 13 2HZ LYS 13 -8.373 -8.865 0.771
55 H CYS 14 H CYS 14 -3.190 -4.025 -2.061
56 HA CYS 14 HA CYS 14 -1.512 -5.243 -4.049
57 HB2 CYS 14 2HB CYS 14 0.322 -4.032 -2.902
58 HB3 CYS 14 1HB CYS 14 -1.020 -3.008 -3.358
59 H ARG 15 H ARG 15 0.360 -6.444 -3.546
60 HA ARG 15 HA ARG 15 -0.014 -8.419 -1.376
61 HB2 ARG 15 2HB ARG 15 0.868 -8.886 -4.241
62 HB3 ARG 15 1HB ARG 15 0.633 -10.122 -3.011
63 HG2 ARG 15 2HG ARG 15 -1.712 -9.760 -2.969
64 HG3 ARG 15 1HG ARG 15 -1.571 -8.320 -3.972
65 HD2 ARG 15 2HD ARG 15 -2.391 -10.157 -5.302
66 HD3 ARG 15 1HD ARG 15 -0.762 -9.733 -5.820
67 HE ARG 15 HE ARG 15 -0.747 -11.797 -3.887
68 HH11 ARG 15 1HH1 ARG 15 -1.362 -11.154 -7.316
69 HH12 ARG 15 2HH1 ARG 15 -0.968 -12.714 -7.845
70 HH21 ARG 15 1HH2 ARG 15 -0.209 -14.010 -4.630
71 HH22 ARG 15 2HH2 ARG 15 -0.326 -14.367 -6.295
72 H CYS 16 H CYS 16 1.571 -6.019 -1.646
73 HA CYS 16 HA CYS 16 4.239 -6.279 -2.372
74 HB2 CYS 16 2HB CYS 16 3.161 -4.633 -0.081
75 HB3 CYS 16 1HB CYS 16 4.637 -4.346 -0.996
76 H GLY 17 H GLY 17 5.861 -7.423 -1.556
77 HA2 GLY 17 2HA GLY 17 7.222 -7.914 0.435
78 HA3 GLY 17 1HA GLY 17 5.708 -8.293 1.263
79 H ILE 18 H ILE 18 4.380 -9.614 -0.603
80 HA ILE 18 HA ILE 18 5.738 -12.171 -0.774
81 HB ILE 18 HB ILE 18 3.024 -11.354 -1.879
82 HG12 ILE 18 2HG1 ILE 18 3.692 -12.527 0.830
83 HG13 ILE 18 1HG1 ILE 18 3.175 -10.881 0.524
84 HG21 ILE 18 1HG2 ILE 18 4.154 -14.069 -1.161
85 HG22 ILE 18 2HG2 ILE 18 3.909 -13.449 -2.791
86 HG23 ILE 18 3HG2 ILE 18 2.519 -13.760 -1.748
87 HD11 ILE 18 3HD1 ILE 18 1.027 -11.663 -0.269
88 HD12 ILE 18 1HD1 ILE 18 1.351 -12.238 1.368
89 HD13 ILE 18 2HD1 ILE 18 1.531 -13.334 -0.007
90 H SER 19 H SER 19 4.378 -9.659 -2.778
91 HA SER 19 HA SER 19 5.878 -10.606 -5.089
92 HB2 SER 19 2HB SER 19 3.331 -10.254 -5.198
93 HB3 SER 19 1HB SER 19 3.655 -8.538 -4.975
94 HG SER 19 HG SER 19 4.480 -10.222 -7.073
95 H GLY 20 H GLY 20 7.416 -9.177 -5.964
96 HA2 GLY 20 2HA GLY 20 8.415 -7.193 -4.114
97 HA3 GLY 20 1HA GLY 20 9.190 -7.723 -5.602
98 H SER 21 H SER 21 9.263 -5.111 -5.054
99 HA SER 21 HA SER 21 7.703 -3.990 -7.182
100 HB2 SER 21 2HB SER 21 6.276 -3.976 -4.994
101 HB3 SER 21 1HB SER 21 7.352 -2.670 -4.491
102 HG SER 21 HG SER 21 6.361 -1.357 -5.856
103 H SER 22 H SER 22 9.646 -3.094 -4.302
104 HA SER 22 HA SER 22 11.620 -1.874 -6.024
105 HB2 SER 22 2HB SER 22 11.642 0.184 -4.523
106 HB3 SER 22 1HB SER 22 10.209 0.044 -5.541
107 HG SER 22 HG SER 22 10.275 0.278 -2.902
108 H ASN 23 H ASN 23 10.892 -1.751 -2.603
109 HA ASN 23 HA ASN 23 13.068 -3.564 -1.943
110 HB2 ASN 23 2HB ASN 23 12.765 -0.753 -0.838
111 HB3 ASN 23 1HB ASN 23 13.775 -1.978 -0.101
112 HD21 ASN 23 1HD2 ASN 23 15.651 -2.641 -1.220
113 HD22 ASN 23 2HD2 ASN 23 16.381 -1.608 -2.390
114 H THR 24 H THR 24 12.840 -4.243 0.313
115 HA THR 24 HA THR 24 10.157 -4.800 0.948
116 HB THR 24 HB THR 24 12.625 -5.127 2.684
117 HG1 THR 24 1HG THR 24 13.175 -6.766 1.420
118 HG21 THR 24 3HG2 THR 24 10.046 -6.718 2.491
119 HG22 THR 24 1HG2 THR 24 10.453 -5.594 3.790
120 HG23 THR 24 2HG2 THR 24 11.395 -7.071 3.568
121 H LEU 25 H LEU 25 12.517 -2.442 1.989
122 HA LEU 25 HA LEU 25 11.160 -1.423 4.261
123 HB2 LEU 25 2HB LEU 25 13.111 -0.039 2.423
124 HB3 LEU 25 1HB LEU 25 12.586 0.580 3.973
125 HG LEU 25 HG LEU 25 14.210 -1.927 3.520
126 HD11 LEU 25 1HD1 LEU 25 14.970 0.739 4.694
127 HD12 LEU 25 2HD1 LEU 25 15.476 0.104 3.128
128 HD13 LEU 25 3HD1 LEU 25 16.000 -0.691 4.613
129 HD21 LEU 25 3HD2 LEU 25 14.435 -1.951 5.960
130 HD22 LEU 25 1HD2 LEU 25 12.765 -2.186 5.446
131 HD23 LEU 25 2HD2 LEU 25 13.284 -0.620 6.072
132 H THR 26 H THR 26 10.709 -0.898 0.855
133 HA THR 26 HA THR 26 8.832 1.254 1.472
134 HB THR 26 HB THR 26 9.350 2.041 -0.895
135 HG1 THR 26 1HG THR 26 11.778 1.328 -1.172
136 HG21 THR 26 3HG2 THR 26 11.358 3.267 -0.175
137 HG22 THR 26 1HG2 THR 26 11.548 2.151 1.179
138 HG23 THR 26 2HG2 THR 26 10.143 3.214 1.101
139 H THR 27 H THR 27 8.121 -1.541 1.419
140 HA THR 27 HA THR 27 7.268 -2.695 -0.869
141 HB THR 27 HB THR 27 5.282 -3.364 0.788
142 HG1 THR 27 1HG THR 27 6.903 -3.214 2.856
143 HG21 THR 27 3HG2 THR 27 8.152 -4.268 1.113
144 HG22 THR 27 1HG2 THR 27 7.010 -4.877 -0.095
145 HG23 THR 27 2HG2 THR 27 6.699 -5.160 1.609
146 H CYS 28 H CYS 28 5.104 -0.858 1.200
147 HA CYS 28 HA CYS 28 3.370 -0.352 -1.045
148 HB2 CYS 28 2HB CYS 28 3.012 0.134 1.888
149 HB3 CYS 28 1HB CYS 28 1.830 0.605 0.663
150 H ARG 29 H ARG 29 5.982 1.108 0.045
151 HA ARG 29 HA ARG 29 4.953 3.858 -0.038
152 HB2 ARG 29 2HB ARG 29 6.387 2.927 1.876
153 HB3 ARG 29 1HB ARG 29 7.729 2.990 0.747
154 HG2 ARG 29 2HG ARG 29 7.364 5.425 0.501
155 HG3 ARG 29 1HG ARG 29 6.071 5.314 1.678
156 HD2 ARG 29 2HD ARG 29 7.622 4.490 3.363
157 HD3 ARG 29 1HD ARG 29 8.945 4.574 2.207
158 HE ARG 29 HE ARG 29 7.595 7.053 2.474
159 HH11 ARG 29 1HH1 ARG 29 10.027 5.013 4.066
160 HH12 ARG 29 2HH1 ARG 29 10.824 6.305 4.820
161 HH21 ARG 29 1HH2 ARG 29 8.705 8.836 3.509
162 HH22 ARG 29 2HH2 ARG 29 10.082 8.547 4.459
163 H ASN 30 H ASN 30 5.327 2.243 -2.462
164 HA ASN 30 HA ASN 30 7.138 4.079 -3.834
165 HB2 ASN 30 2HB ASN 30 8.047 2.336 -5.272
166 HB3 ASN 30 1HB ASN 30 8.331 1.890 -3.595
167 HD21 ASN 30 1HD2 ASN 30 7.243 0.174 -2.753
168 HD22 ASN 30 2HD2 ASN 30 6.341 -0.956 -3.660
169 H SER 31 H SER 31 6.700 4.148 -6.193
170 HA SER 31 HA SER 31 4.001 4.799 -6.541
171 HB2 SER 31 2HB SER 31 6.181 4.594 -8.590
172 HB3 SER 31 1HB SER 31 4.692 5.539 -8.712
173 HG SER 31 HG SER 31 6.865 6.471 -7.908
174 H ARG 32 H ARG 32 5.347 1.710 -6.797
175 HA ARG 32 HA ARG 32 3.612 0.947 -9.022
176 HB2 ARG 32 2HB ARG 32 5.605 -0.695 -7.470
177 HB3 ARG 32 1HB ARG 32 4.731 -1.218 -8.897
178 HG2 ARG 32 2HG ARG 32 5.888 0.458 -10.231
179 HG3 ARG 32 1HG ARG 32 6.756 1.007 -8.789
180 HD2 ARG 32 2HD ARG 32 8.127 -0.520 -10.118
181 HD3 ARG 32 1HD ARG 32 7.747 -1.206 -8.537
182 HE ARG 32 HE ARG 32 5.877 -1.913 -10.559
183 HH11 ARG 32 1HH1 ARG 32 8.970 -2.883 -9.102
184 HH12 ARG 32 2HH1 ARG 32 8.894 -4.461 -9.742
185 HH21 ARG 32 1HH2 ARG 32 5.769 -4.049 -11.311
186 HH22 ARG 32 2HH2 ARG 32 7.021 -5.167 -11.007
187 H CYS 33 H CYS 33 3.310 1.411 -5.836
188 HA CYS 33 HA CYS 33 1.722 -0.953 -5.325
189 HB2 CYS 33 2HB CYS 33 3.201 -0.173 -3.523
190 HB3 CYS 33 1HB CYS 33 2.392 1.390 -3.521
191 HA PRO 34 HA PRO 34 -1.904 1.192 -6.883
192 HB2 PRO 34 2HB PRO 34 -3.688 -0.585 -5.787
193 HB3 PRO 34 1HB PRO 34 -2.936 -0.782 -7.378
194 HG2 PRO 34 2HG PRO 34 -2.287 -2.045 -4.761
195 HG3 PRO 34 1HG PRO 34 -2.157 -2.726 -6.391
196 HD2 PRO 34 2HD PRO 34 -0.013 -1.900 -4.988
197 HD3 PRO 34 1HD PRO 34 -0.089 -1.768 -6.759
198 H CYS 35 H CYS 35 -1.148 0.618 -3.682
199 HA CYS 35 HA CYS 35 -3.412 2.103 -2.677
200 HB2 CYS 35 2HB CYS 35 -1.047 0.828 -1.379
201 HB3 CYS 35 1HB CYS 35 -2.189 1.823 -0.481
202 H TYR 36 H TYR 36 0.047 2.422 -2.794
203 HA TYR 36 HA TYR 36 0.214 5.037 -1.818
204 HB2 TYR 36 2HB TYR 36 2.124 3.477 -1.984
205 HB3 TYR 36 1HB TYR 36 2.075 3.632 -3.734
206 HD1 TYR 36 1HD TYR 36 2.871 5.659 -4.830
207 HD2 TYR 36 2HD TYR 36 2.975 5.266 -0.600
208 HE1 TYR 36 1HE TYR 36 4.355 7.575 -4.718
209 HE2 TYR 36 2HE TYR 36 4.477 7.195 -0.449
210 HH TYR 36 HH TYR 36 5.981 8.464 -1.762
211 H LYS 37 H LYS 37 0.322 3.889 -5.208
212 HA LYS 37 HA LYS 37 0.417 6.625 -6.101
213 HB2 LYS 37 2HB LYS 37 1.736 4.719 -7.119
214 HB3 LYS 37 1HB LYS 37 0.235 4.146 -7.819
215 HG2 LYS 37 2HG LYS 37 1.355 6.882 -8.363
216 HG3 LYS 37 1HG LYS 37 1.804 5.477 -9.315
217 HD2 LYS 37 2HD LYS 37 -0.559 5.152 -9.964
218 HD3 LYS 37 1HD LYS 37 -1.014 6.541 -8.981
219 HE2 LYS 37 2HE LYS 37 0.860 6.653 -11.342
220 HE3 LYS 37 1HE LYS 37 -0.854 7.039 -11.407
221 HZ1 LYS 37 3HZ LYS 37 -0.478 8.868 -9.873
222 HZ2 LYS 37 1HZ LYS 37 0.540 9.004 -11.196
223 HZ3 LYS 37 2HZ LYS 37 1.152 8.477 -9.728
224 H SER 38 H SER 38 -2.027 4.057 -6.103
225 HA SER 38 HA SER 38 -3.807 5.700 -7.681
226 HB2 SER 38 2HB SER 38 -4.282 3.034 -6.359
227 HB3 SER 38 1HB SER 38 -5.318 3.783 -7.572
228 HG SER 38 HG SER 38 -3.535 3.714 -8.989
229 H TYR 39 H TYR 39 -2.892 5.777 -4.612
230 HA TYR 39 HA TYR 39 -3.571 6.651 -2.728
231 HB2 TYR 39 2HB TYR 39 -5.696 7.992 -4.389
232 HB3 TYR 39 1HB TYR 39 -5.316 8.427 -2.728
233 HD1 TYR 39 1HD TYR 39 -3.132 9.490 -2.211
234 HD2 TYR 39 2HD TYR 39 -4.324 8.687 -6.202
235 HE1 TYR 39 1HE TYR 39 -1.393 11.042 -3.042
236 HE2 TYR 39 2HE TYR 39 -2.613 10.218 -7.037
237 HH TYR 39 HH TYR 39 -0.111 11.434 -5.090
238 H ASN 40 H ASN 40 -4.082 4.355 -2.409
239 HA ASN 40 HA ASN 40 -6.743 4.255 -1.180
240 HB2 ASN 40 2HB ASN 40 -5.354 1.927 -2.562
241 HB3 ASN 40 1HB ASN 40 -6.697 1.742 -1.454
242 HD21 ASN 40 1HD2 ASN 40 -5.705 2.549 -4.622
243 HD22 ASN 40 2HD2 ASN 40 -7.281 2.757 -5.291
244 H SER 41 H SER 41 -6.828 2.849 0.702
245 HA SER 41 HA SER 41 -4.308 2.898 2.133
246 HB2 SER 41 2HB SER 41 -5.919 2.591 4.107
247 HB3 SER 41 1HB SER 41 -5.983 4.132 3.244
248 HG SER 41 HG SER 41 -8.042 3.104 3.710
249 H CYS 42 H CYS 42 -3.819 1.004 3.491
250 HA CYS 42 HA CYS 42 -4.435 -1.397 2.044
251 HB2 CYS 42 2HB CYS 42 -2.457 -0.841 4.236
252 HB3 CYS 42 1HB CYS 42 -2.789 -2.478 3.668
253 H ALA 43 H ALA 43 -6.581 -1.052 2.705
254 HA ALA 43 HA ALA 43 -7.200 -2.309 5.274
255 HB1 ALA 43 1HB ALA 43 -8.425 -0.244 4.758
256 HB2 ALA 43 2HB ALA 43 -9.523 -1.620 4.860
257 HB3 ALA 43 3HB ALA 43 -9.051 -0.983 3.285
258 H GLY 44 H GLY 44 -6.815 -4.420 4.952
259 HA2 GLY 44 2HA GLY 44 -7.684 -6.535 4.454
260 HA3 GLY 44 1HA GLY 44 -8.631 -5.822 3.157
261 H CYS 45 H CYS 45 -5.427 -4.784 3.084
262 HA CYS 45 HA CYS 45 -4.900 -6.295 0.684
263 HB2 CYS 45 2HB CYS 45 -3.050 -4.479 2.250
264 HB3 CYS 45 1HB CYS 45 -2.727 -5.156 0.667
265 H HIS 46 H HIS 46 -3.134 -7.771 0.429
266 HA HIS 46 HA HIS 46 -2.565 -9.172 2.934
267 HB2 HIS 46 2HB HIS 46 -2.735 -10.232 0.123
268 HB3 HIS 46 1HB HIS 46 -2.050 -11.168 1.443
269 HD1 HIS 46 1HD HIS 46 -3.731 -11.770 3.430
270 HD2 HIS 46 2HD HIS 46 -5.493 -10.259 -0.012
271 HE1 HIS 46 1HE HIS 46 -6.175 -12.317 3.621
272 HE2 HIS 46 2HE HIS 46 -7.229 -11.218 1.620
273 H CYS 47 H CYS 47 -1.170 -6.939 1.859
274 HA CYS 47 HA CYS 47 1.425 -7.880 1.130
275 HB2 CYS 47 2HB CYS 47 2.052 -5.465 1.716
276 HB3 CYS 47 1HB CYS 47 1.008 -5.695 0.330
277 H VAL 48 H VAL 48 3.261 -7.854 2.460
278 HA VAL 48 HA VAL 48 2.553 -8.385 5.258
279 HB VAL 48 HB VAL 48 4.940 -9.398 3.684
280 HG11 VAL 48 1HG1 VAL 48 5.311 -10.909 5.574
281 HG12 VAL 48 2HG1 VAL 48 3.975 -10.158 6.438
282 HG13 VAL 48 3HG1 VAL 48 5.424 -9.220 6.072
283 HG21 VAL 48 3HG2 VAL 48 3.811 -11.582 3.748
284 HG22 VAL 48 1HG2 VAL 48 2.862 -10.378 2.877
285 HG23 VAL 48 2HG2 VAL 48 2.417 -10.829 4.521
286 H GLY 49 H GLY 49 3.088 -6.868 6.632
287 HA2 GLY 49 2HA GLY 49 4.245 -5.257 7.777
288 HA3 GLY 49 1HA GLY 49 5.690 -5.919 7.035
289 H CYS 50 H CYS 50 2.939 -4.426 5.448
290 HA CYS 50 HA CYS 50 4.552 -3.048 3.614
291 HB2 CYS 50 2HB CYS 50 2.563 -2.124 2.765
292 HB3 CYS 50 1HB CYS 50 2.178 -3.772 3.260
293 H LYS 51 H LYS 51 5.284 -1.025 3.586
294 HA LYS 51 HA LYS 51 4.485 0.685 5.814
295 HB2 LYS 51 2HB LYS 51 6.884 0.925 3.982
296 HB3 LYS 51 1HB LYS 51 6.488 2.031 5.288
297 HG2 LYS 51 2HG LYS 51 7.205 -0.873 5.576
298 HG3 LYS 51 1HG LYS 51 8.225 0.511 5.971
299 HD2 LYS 51 2HD LYS 51 6.634 1.206 7.700
300 HD3 LYS 51 1HD LYS 51 5.575 -0.137 7.280
301 HE2 LYS 51 2HE LYS 51 8.367 -0.350 8.378
302 HE3 LYS 51 1HE LYS 51 6.872 -0.644 9.263
303 HZ1 LYS 51 3HZ LYS 51 6.402 -2.482 7.735
304 HZ2 LYS 51 1HZ LYS 51 7.857 -2.698 8.558
305 HZ3 LYS 51 2HZ LYS 51 7.866 -2.208 6.947
306 H ASN 52 H ASN 52 2.644 1.446 5.088
307 HA ASN 52 HA ASN 52 2.703 2.916 2.557
308 HB2 ASN 52 2HB ASN 52 0.935 1.134 2.758
309 HB3 ASN 52 1HB ASN 52 0.288 1.973 4.155
310 HD21 ASN 52 1HD2 ASN 52 -1.092 1.353 1.733
311 HD22 ASN 52 2HD2 ASN 52 -1.580 2.866 1.044
312 HA PRO 53 HA PRO 53 3.092 6.387 5.349
313 HB2 PRO 53 2HB PRO 53 2.159 7.723 2.856
314 HB3 PRO 53 1HB PRO 53 3.487 8.177 3.934
315 HG2 PRO 53 2HG PRO 53 4.000 6.994 1.631
316 HG3 PRO 53 1HG PRO 53 4.891 6.530 3.092
317 HD2 PRO 53 2HD PRO 53 2.718 5.090 1.659
318 HD3 PRO 53 1HD PRO 53 4.127 4.451 2.518
319 H HIS 54 H HIS 54 0.275 5.837 3.237
320 HA HIS 54 HA HIS 54 -1.259 7.238 5.241
321 HB2 HIS 54 2HB HIS 54 -2.891 7.760 3.516
322 HB3 HIS 54 1HB HIS 54 -1.342 8.571 3.317
323 HD1 HIS 54 1HD HIS 54 -3.884 6.809 1.528
324 HD2 HIS 54 2HD HIS 54 0.225 7.149 1.128
325 HE1 HIS 54 1HE HIS 54 -3.393 6.187 -0.840
326 HE2 HIS 54 2HE HIS 54 -1.009 6.930 -1.090
327 H LYS 55 H LYS 55 -2.026 5.855 6.461
328 HA LYS 55 HA LYS 55 -4.137 4.217 5.746
329 HB2 LYS 55 2HB LYS 55 -3.143 2.019 6.530
330 HB3 LYS 55 1HB LYS 55 -2.586 2.554 4.956
331 HG2 LYS 55 2HG LYS 55 -0.693 1.672 6.028
332 HG3 LYS 55 1HG LYS 55 -0.513 3.415 6.171
333 HD2 LYS 55 2HD LYS 55 -1.395 3.268 8.479
334 HD3 LYS 55 1HD LYS 55 -1.486 1.514 8.305
335 HE2 LYS 55 2HE LYS 55 0.551 2.076 9.462
336 HE3 LYS 55 1HE LYS 55 0.946 1.480 7.854
337 HZ1 LYS 55 3HZ LYS 55 1.240 3.786 7.116
338 HZ2 LYS 55 1HZ LYS 55 2.238 3.413 8.425
339 HZ3 LYS 55 2HZ LYS 55 0.854 4.314 8.694
340 H GLU 56 H GLU 56 -4.469 2.691 7.953
341 HA GLU 56 HA GLU 56 -4.637 4.820 9.882
342 HB2 GLU 56 2HB GLU 56 -6.622 3.467 9.302
343 HB3 GLU 56 1HB GLU 56 -5.823 2.044 9.949
344 HG2 GLU 56 2HG GLU 56 -5.986 2.821 12.149
345 HG3 GLU 56 1HG GLU 56 -6.337 4.468 11.630
346 H ASP 57 H ASP 57 -2.868 5.129 10.934
347 HA ASP 57 HA ASP 57 -1.167 2.978 11.884
348 HB2 ASP 57 2HB ASP 57 -0.982 5.991 12.039
349 HB3 ASP 57 1HB ASP 57 0.132 4.950 12.907
350 H TYR 58 H TYR 58 -1.225 2.132 13.926
351 HA TYR 58 HA TYR 58 -3.214 3.305 15.628
352 HB2 TYR 58 2HB TYR 58 -1.930 0.581 15.682
353 HB3 TYR 58 1HB TYR 58 -3.078 1.168 16.878
354 HD1 TYR 58 2HD TYR 58 -5.400 1.752 16.176
355 HD2 TYR 58 1HD TYR 58 -2.664 -0.162 13.560
356 HE1 TYR 58 2HE TYR 58 -7.264 1.126 14.706
357 HE2 TYR 58 1HE TYR 58 -4.519 -0.793 12.069
358 HH TYR 58 HH TYR 58 -7.576 0.593 12.345
359 H VAL 59 H VAL 59 -2.673 4.640 16.979
360 HA VAL 59 HA VAL 59 -0.200 4.368 18.438
361 HB VAL 59 HB VAL 59 0.124 6.227 16.935
362 HG11 VAL 59 1HG1 VAL 59 -1.367 8.169 16.788
363 HG12 VAL 59 2HG1 VAL 59 -2.513 7.354 17.849
364 HG13 VAL 59 3HG1 VAL 59 -2.153 6.678 16.262
365 HG21 VAL 59 3HG2 VAL 59 -0.605 7.262 19.670
366 HG22 VAL 59 1HG2 VAL 59 0.353 8.140 18.481
367 HG23 VAL 59 2HG2 VAL 59 0.960 6.631 19.155
Start of MODEL 17
1 H1 SER 8 1HT SER 8 -19.652 2.179 0.385
2 H2 SER 8 2HT SER 8 -19.545 1.575 -1.199
3 H3 SER 8 3HT SER 8 -19.254 3.214 -0.901
4 HA SER 8 HA SER 8 -17.316 2.661 0.333
5 HB2 SER 8 2HB SER 8 -16.582 0.270 0.305
6 HB3 SER 8 1HB SER 8 -18.052 0.524 1.241
7 HG SER 8 HG SER 8 -17.670 -0.693 -1.247
8 HA PRO 9 HA PRO 9 -15.798 2.929 -3.862
9 HB2 PRO 9 2HB PRO 9 -13.414 4.104 -3.303
10 HB3 PRO 9 1HB PRO 9 -14.930 5.002 -3.311
11 HG2 PRO 9 2HG PRO 9 -13.336 4.000 -1.027
12 HG3 PRO 9 1HG PRO 9 -14.319 5.469 -1.149
13 HD2 PRO 9 2HD PRO 9 -15.073 3.101 0.119
14 HD3 PRO 9 1HD PRO 9 -16.175 4.391 -0.392
15 HA PRO 10 HA PRO 10 -13.522 -0.935 -3.708
16 HB2 PRO 10 2HB PRO 10 -12.905 -0.450 -6.532
17 HB3 PRO 10 1HB PRO 10 -13.836 -1.757 -5.796
18 HG2 PRO 10 2HG PRO 10 -14.984 0.199 -7.257
19 HG3 PRO 10 1HG PRO 10 -15.802 -0.591 -5.894
20 HD2 PRO 10 2HD PRO 10 -14.488 2.082 -6.033
21 HD3 PRO 10 1HD PRO 10 -15.973 1.561 -5.196
22 H LYS 11 H LYS 11 -11.510 -1.194 -3.040
23 HA LYS 11 HA LYS 11 -9.435 0.614 -4.057
24 HB2 LYS 11 2HB LYS 11 -9.526 -0.929 -1.458
25 HB3 LYS 11 1HB LYS 11 -8.227 0.134 -1.969
26 HG2 LYS 11 2HG LYS 11 -9.756 2.041 -1.877
27 HG3 LYS 11 1HG LYS 11 -11.058 0.962 -1.372
28 HD2 LYS 11 2HD LYS 11 -9.752 0.348 0.618
29 HD3 LYS 11 1HD LYS 11 -8.485 1.472 0.122
30 HE2 LYS 11 2HE LYS 11 -10.085 3.319 0.258
31 HE3 LYS 11 1HE LYS 11 -11.338 2.190 0.775
32 HZ1 LYS 11 3HZ LYS 11 -10.410 3.261 2.699
33 HZ2 LYS 11 1HZ LYS 11 -8.836 2.825 2.265
34 HZ3 LYS 11 2HZ LYS 11 -9.961 1.658 2.705
35 HA PRO 12 HA PRO 12 -7.717 -3.193 -5.697
36 HB2 PRO 12 2HB PRO 12 -5.205 -1.757 -5.945
37 HB3 PRO 12 1HB PRO 12 -6.193 -2.482 -7.211
38 HG2 PRO 12 2HG PRO 12 -5.984 0.220 -6.914
39 HG3 PRO 12 1HG PRO 12 -7.435 -0.573 -7.548
40 HD2 PRO 12 2HD PRO 12 -6.915 0.540 -4.830
41 HD3 PRO 12 1HD PRO 12 -8.412 0.537 -5.788
42 H LYS 13 H LYS 13 -6.707 -4.705 -4.680
43 HA LYS 13 HA LYS 13 -5.480 -3.967 -2.153
44 HB2 LYS 13 2HB LYS 13 -6.083 -6.193 -1.334
45 HB3 LYS 13 1HB LYS 13 -7.476 -5.205 -1.750
46 HG2 LYS 13 2HG LYS 13 -7.435 -6.496 -4.000
47 HG3 LYS 13 1HG LYS 13 -6.397 -7.642 -3.149
48 HD2 LYS 13 2HD LYS 13 -9.215 -6.841 -2.404
49 HD3 LYS 13 1HD LYS 13 -8.690 -8.398 -3.032
50 HE2 LYS 13 2HE LYS 13 -7.414 -8.819 -1.014
51 HE3 LYS 13 1HE LYS 13 -7.796 -7.212 -0.407
52 HZ1 LYS 13 3HZ LYS 13 -10.158 -7.864 -0.387
53 HZ2 LYS 13 1HZ LYS 13 -9.217 -8.849 0.616
54 HZ3 LYS 13 2HZ LYS 13 -9.708 -9.420 -0.873
55 H CYS 14 H CYS 14 -3.517 -4.034 -2.084
56 HA CYS 14 HA CYS 14 -1.983 -5.496 -4.047
57 HB2 CYS 14 2HB CYS 14 -0.040 -4.199 -3.105
58 HB3 CYS 14 1HB CYS 14 -1.318 -3.228 -3.804
59 H ARG 15 H ARG 15 -0.501 -7.030 -3.669
60 HA ARG 15 HA ARG 15 -0.673 -8.392 -1.062
61 HB2 ARG 15 2HB ARG 15 -1.780 -9.443 -3.088
62 HB3 ARG 15 1HB ARG 15 -0.199 -9.536 -3.832
63 HG2 ARG 15 2HG ARG 15 0.542 -11.094 -2.125
64 HG3 ARG 15 1HG ARG 15 -1.008 -10.941 -1.291
65 HD2 ARG 15 2HD ARG 15 -2.164 -11.816 -3.220
66 HD3 ARG 15 1HD ARG 15 -0.651 -11.934 -4.116
67 HE ARG 15 HE ARG 15 -0.027 -13.518 -2.211
68 HH11 ARG 15 1HH1 ARG 15 -3.349 -13.195 -3.471
69 HH12 ARG 15 2HH1 ARG 15 -3.732 -14.830 -3.192
70 HH21 ARG 15 1HH2 ARG 15 -0.575 -15.746 -1.891
71 HH22 ARG 15 2HH2 ARG 15 -2.130 -16.320 -2.305
72 H CYS 16 H CYS 16 0.989 -6.335 -1.606
73 HA CYS 16 HA CYS 16 3.556 -6.832 -2.636
74 HB2 CYS 16 2HB CYS 16 2.768 -4.850 -0.496
75 HB3 CYS 16 1HB CYS 16 4.173 -4.774 -1.550
76 H GLY 17 H GLY 17 5.541 -7.229 -1.511
77 HA2 GLY 17 2HA GLY 17 6.860 -7.620 0.398
78 HA3 GLY 17 1HA GLY 17 5.392 -7.842 1.343
79 H ILE 18 H ILE 18 4.114 -9.633 -0.361
80 HA ILE 18 HA ILE 18 5.480 -12.091 0.231
81 HB ILE 18 HB ILE 18 3.036 -11.662 -1.536
82 HG12 ILE 18 2HG1 ILE 18 3.275 -11.995 1.456
83 HG13 ILE 18 1HG1 ILE 18 2.595 -10.653 0.580
84 HG21 ILE 18 1HG2 ILE 18 4.044 -13.877 -1.774
85 HG22 ILE 18 2HG2 ILE 18 2.498 -13.987 -0.935
86 HG23 ILE 18 3HG2 ILE 18 4.005 -14.100 -0.023
87 HD11 ILE 18 3HD1 ILE 18 0.841 -12.008 1.575
88 HD12 ILE 18 1HD1 ILE 18 1.406 -13.410 0.667
89 HD13 ILE 18 2HD1 ILE 18 0.732 -12.019 -0.187
90 H SER 19 H SER 19 5.133 -9.906 -2.335
91 HA SER 19 HA SER 19 7.204 -11.258 -3.793
92 HB2 SER 19 2HB SER 19 5.058 -11.813 -4.941
93 HB3 SER 19 1HB SER 19 4.685 -10.099 -5.052
94 HG SER 19 HG SER 19 7.113 -11.024 -6.072
95 H GLY 20 H GLY 20 8.777 -9.834 -4.010
96 HA2 GLY 20 2HA GLY 20 8.577 -7.181 -4.818
97 HA3 GLY 20 1HA GLY 20 8.669 -7.212 -3.053
98 H SER 21 H SER 21 10.508 -6.908 -5.696
99 HA SER 21 HA SER 21 12.635 -8.673 -5.038
100 HB2 SER 21 2HB SER 21 12.659 -6.299 -6.897
101 HB3 SER 21 1HB SER 21 13.766 -7.670 -6.916
102 HG SER 21 HG SER 21 11.733 -8.944 -7.180
103 H SER 22 H SER 22 13.345 -8.213 -2.967
104 HA SER 22 HA SER 22 14.841 -7.468 -1.483
105 HB2 SER 22 2HB SER 22 16.335 -7.139 -3.404
106 HB3 SER 22 1HB SER 22 15.719 -5.506 -3.619
107 HG SER 22 HG SER 22 16.798 -4.843 -1.945
108 H ASN 23 H ASN 23 12.989 -4.893 -2.978
109 HA ASN 23 HA ASN 23 13.302 -3.108 -0.755
110 HB2 ASN 23 2HB ASN 23 12.816 -2.327 -3.111
111 HB3 ASN 23 1HB ASN 23 11.192 -2.971 -2.929
112 HD21 ASN 23 1HD2 ASN 23 12.077 -0.245 -3.413
113 HD22 ASN 23 2HD2 ASN 23 11.439 0.723 -2.140
114 H THR 24 H THR 24 12.703 -4.130 1.016
115 HA THR 24 HA THR 24 9.919 -4.984 1.274
116 HB THR 24 HB THR 24 11.733 -6.677 1.679
117 HG1 THR 24 1HG THR 24 9.808 -7.007 2.677
118 HG21 THR 24 3HG2 THR 24 12.411 -4.913 4.037
119 HG22 THR 24 1HG2 THR 24 13.444 -5.241 2.649
120 HG23 THR 24 2HG2 THR 24 13.048 -6.535 3.783
121 H LEU 25 H LEU 25 11.655 -2.351 1.684
122 HA LEU 25 HA LEU 25 10.646 -1.694 4.359
123 HB2 LEU 25 2HB LEU 25 12.313 0.036 4.577
124 HB3 LEU 25 1HB LEU 25 13.073 -1.488 4.206
125 HG LEU 25 HG LEU 25 12.646 0.691 2.143
126 HD11 LEU 25 1HD1 LEU 25 15.067 0.151 3.848
127 HD12 LEU 25 2HD1 LEU 25 14.011 1.558 3.953
128 HD13 LEU 25 3HD1 LEU 25 14.985 1.291 2.507
129 HD21 LEU 25 3HD2 LEU 25 14.442 -1.750 2.207
130 HD22 LEU 25 1HD2 LEU 25 14.523 -0.476 0.991
131 HD23 LEU 25 2HD2 LEU 25 13.083 -1.453 1.111
132 H THR 26 H THR 26 10.502 -0.699 1.021
133 HA THR 26 HA THR 26 8.706 1.490 1.806
134 HB THR 26 HB THR 26 10.510 1.447 -0.644
135 HG1 THR 26 1HG THR 26 11.115 1.734 1.947
136 HG21 THR 26 3HG2 THR 26 8.621 3.076 -0.638
137 HG22 THR 26 1HG2 THR 26 10.192 3.879 -0.592
138 HG23 THR 26 2HG2 THR 26 9.235 3.741 0.879
139 H THR 27 H THR 27 8.315 -1.405 1.155
140 HA THR 27 HA THR 27 7.612 -2.222 -1.275
141 HB THR 27 HB THR 27 5.827 -2.840 1.009
142 HG1 THR 27 1HG THR 27 7.471 -3.509 2.249
143 HG21 THR 27 3HG2 THR 27 7.610 -4.573 -0.716
144 HG22 THR 27 1HG2 THR 27 5.944 -4.146 -1.122
145 HG23 THR 27 2HG2 THR 27 6.278 -5.085 0.332
146 H CYS 28 H CYS 28 5.215 -1.014 1.055
147 HA CYS 28 HA CYS 28 3.389 -0.435 -1.089
148 HB2 CYS 28 2HB CYS 28 2.999 -0.527 1.880
149 HB3 CYS 28 1HB CYS 28 1.782 0.187 0.826
150 H ARG 29 H ARG 29 5.795 1.282 0.155
151 HA ARG 29 HA ARG 29 4.298 3.806 0.128
152 HB2 ARG 29 2HB ARG 29 5.671 3.297 2.166
153 HB3 ARG 29 1HB ARG 29 7.113 3.310 1.165
154 HG2 ARG 29 2HG ARG 29 6.666 5.665 0.596
155 HG3 ARG 29 1HG ARG 29 5.258 5.631 1.650
156 HD2 ARG 29 2HD ARG 29 6.680 5.253 3.578
157 HD3 ARG 29 1HD ARG 29 8.108 5.166 2.536
158 HE ARG 29 HE ARG 29 6.737 7.536 2.036
159 HH11 ARG 29 1HH1 ARG 29 8.709 6.160 4.637
160 HH12 ARG 29 2HH1 ARG 29 9.321 7.665 5.134
161 HH21 ARG 29 1HH2 ARG 29 7.593 9.591 2.723
162 HH22 ARG 29 2HH2 ARG 29 8.706 9.650 4.007
163 H ASN 30 H ASN 30 5.411 2.137 -2.247
164 HA ASN 30 HA ASN 30 6.680 4.470 -3.450
165 HB2 ASN 30 2HB ASN 30 8.413 3.286 -4.538
166 HB3 ASN 30 1HB ASN 30 8.406 2.657 -2.901
167 HD21 ASN 30 1HD2 ASN 30 7.684 0.530 -2.580
168 HD22 ASN 30 2HD2 ASN 30 7.551 -0.593 -3.879
169 H SER 31 H SER 31 6.723 4.334 -5.894
170 HA SER 31 HA SER 31 4.068 4.401 -6.710
171 HB2 SER 31 2HB SER 31 6.527 4.443 -8.435
172 HB3 SER 31 1HB SER 31 4.955 5.180 -8.779
173 HG SER 31 HG SER 31 5.365 6.761 -7.391
174 H ARG 32 H ARG 32 6.106 1.647 -6.638
175 HA ARG 32 HA ARG 32 4.926 0.319 -8.918
176 HB2 ARG 32 2HB ARG 32 6.561 -0.815 -6.637
177 HB3 ARG 32 1HB ARG 32 6.124 -1.681 -8.102
178 HG2 ARG 32 2HG ARG 32 7.518 -0.296 -9.430
179 HG3 ARG 32 1HG ARG 32 7.777 0.832 -8.095
180 HD2 ARG 32 2HD ARG 32 8.858 -1.034 -6.836
181 HD3 ARG 32 1HD ARG 32 8.726 -2.020 -8.293
182 HE ARG 32 HE ARG 32 10.376 -0.796 -9.290
183 HH11 ARG 32 1HH1 ARG 32 9.514 0.732 -6.204
184 HH12 ARG 32 2HH1 ARG 32 10.962 1.606 -6.039
185 HH21 ARG 32 1HH2 ARG 32 12.415 0.415 -9.047
186 HH22 ARG 32 2HH2 ARG 32 12.662 1.419 -7.695
187 H CYS 33 H CYS 33 3.974 1.017 -5.788
188 HA CYS 33 HA CYS 33 2.343 -1.343 -5.438
189 HB2 CYS 33 2HB CYS 33 3.528 -0.443 -3.501
190 HB3 CYS 33 1HB CYS 33 2.758 1.119 -3.724
191 HA PRO 34 HA PRO 34 -0.890 0.799 -7.733
192 HB2 PRO 34 2HB PRO 34 -2.761 -1.164 -7.535
193 HB3 PRO 34 1HB PRO 34 -1.391 -1.265 -8.654
194 HG2 PRO 34 2HG PRO 34 -1.742 -2.498 -5.949
195 HG3 PRO 34 1HG PRO 34 -1.101 -3.227 -7.434
196 HD2 PRO 34 2HD PRO 34 0.495 -2.340 -5.459
197 HD3 PRO 34 1HD PRO 34 0.976 -2.244 -7.164
198 H CYS 35 H CYS 35 -0.945 -0.160 -4.526
199 HA CYS 35 HA CYS 35 -3.601 0.857 -3.862
200 HB2 CYS 35 2HB CYS 35 -2.331 -1.115 -2.761
201 HB3 CYS 35 1HB CYS 35 -1.362 0.119 -1.992
202 H TYR 36 H TYR 36 -0.217 1.624 -3.357
203 HA TYR 36 HA TYR 36 -0.534 4.028 -1.903
204 HB2 TYR 36 2HB TYR 36 1.518 2.748 -1.792
205 HB3 TYR 36 1HB TYR 36 1.768 2.962 -3.516
206 HD1 TYR 36 2HD TYR 36 1.810 4.684 -0.249
207 HD2 TYR 36 1HD TYR 36 2.742 4.961 -4.388
208 HE1 TYR 36 2HE TYR 36 3.118 6.722 0.180
209 HE2 TYR 36 1HE TYR 36 4.036 6.980 -3.980
210 HH TYR 36 HH TYR 36 4.143 8.779 -2.298
211 H LYS 37 H LYS 37 0.136 3.398 -5.344
212 HA LYS 37 HA LYS 37 0.361 6.184 -5.888
213 HB2 LYS 37 2HB LYS 37 1.387 4.197 -7.198
214 HB3 LYS 37 1HB LYS 37 -0.173 4.124 -8.010
215 HG2 LYS 37 2HG LYS 37 0.129 6.544 -8.613
216 HG3 LYS 37 1HG LYS 37 1.761 6.430 -7.967
217 HD2 LYS 37 2HD LYS 37 1.925 6.149 -10.325
218 HD3 LYS 37 1HD LYS 37 2.165 4.556 -9.605
219 HE2 LYS 37 2HE LYS 37 0.691 4.393 -11.536
220 HE3 LYS 37 1HE LYS 37 -0.195 4.009 -10.066
221 HZ1 LYS 37 3HZ LYS 37 -1.118 6.278 -10.098
222 HZ2 LYS 37 1HZ LYS 37 -1.471 5.460 -11.523
223 HZ3 LYS 37 2HZ LYS 37 -0.260 6.623 -11.488
224 H SER 38 H SER 38 -2.271 4.171 -5.409
225 HA SER 38 HA SER 38 -4.068 5.908 -6.919
226 HB2 SER 38 2HB SER 38 -4.236 3.349 -7.012
227 HB3 SER 38 1HB SER 38 -4.777 3.414 -5.342
228 HG SER 38 HG SER 38 -6.478 4.854 -6.138
229 H TYR 39 H TYR 39 -2.485 5.950 -4.142
230 HA TYR 39 HA TYR 39 -2.551 7.052 -2.215
231 HB2 TYR 39 2HB TYR 39 -4.973 8.507 -3.317
232 HB3 TYR 39 1HB TYR 39 -3.818 9.105 -2.126
233 HD1 TYR 39 2HD TYR 39 -1.298 9.177 -2.964
234 HD2 TYR 39 1HD TYR 39 -4.689 9.109 -5.522
235 HE1 TYR 39 2HE TYR 39 0.078 10.049 -4.804
236 HE2 TYR 39 1HE TYR 39 -3.334 9.957 -7.363
237 HH TYR 39 HH TYR 39 -1.274 11.202 -7.703
238 H ASN 40 H ASN 40 -3.971 4.603 -2.484
239 HA ASN 40 HA ASN 40 -6.273 4.837 -0.715
240 HB2 ASN 40 2HB ASN 40 -5.248 2.674 -2.513
241 HB3 ASN 40 1HB ASN 40 -6.461 2.314 -1.310
242 HD21 ASN 40 1HD2 ASN 40 -6.558 2.184 -4.179
243 HD22 ASN 40 2HD2 ASN 40 -7.847 3.207 -4.705
244 H SER 41 H SER 41 -6.484 3.462 1.047
245 HA SER 41 HA SER 41 -4.045 3.026 2.488
246 HB2 SER 41 2HB SER 41 -5.900 2.458 4.243
247 HB3 SER 41 1HB SER 41 -5.620 4.136 3.757
248 HG SER 41 HG SER 41 -7.456 4.211 2.892
249 H CYS 42 H CYS 42 -3.629 1.005 3.541
250 HA CYS 42 HA CYS 42 -4.369 -1.227 1.899
251 HB2 CYS 42 2HB CYS 42 -2.265 -0.939 4.032
252 HB3 CYS 42 1HB CYS 42 -2.684 -2.494 3.327
253 H ALA 43 H ALA 43 -6.416 -1.000 2.593
254 HA ALA 43 HA ALA 43 -7.020 -2.407 5.107
255 HB1 ALA 43 1HB ALA 43 -8.201 -0.282 4.768
256 HB2 ALA 43 2HB ALA 43 -9.328 -1.636 4.767
257 HB3 ALA 43 3HB ALA 43 -8.845 -0.889 3.245
258 H GLY 44 H GLY 44 -6.956 -4.539 4.742
259 HA2 GLY 44 2HA GLY 44 -8.004 -6.506 4.023
260 HA3 GLY 44 1HA GLY 44 -8.712 -5.617 2.680
261 H CYS 45 H CYS 45 -5.564 -4.780 2.920
262 HA CYS 45 HA CYS 45 -4.863 -6.259 0.541
263 HB2 CYS 45 2HB CYS 45 -3.148 -4.405 2.218
264 HB3 CYS 45 1HB CYS 45 -2.756 -5.020 0.623
265 H HIS 46 H HIS 46 -3.101 -7.708 0.422
266 HA HIS 46 HA HIS 46 -2.658 -9.138 2.964
267 HB2 HIS 46 2HB HIS 46 -2.608 -10.095 0.099
268 HB3 HIS 46 1HB HIS 46 -1.948 -11.057 1.416
269 HD1 HIS 46 1HD HIS 46 -3.569 -12.823 1.986
270 HD2 HIS 46 2HD HIS 46 -5.478 -9.256 1.079
271 HE1 HIS 46 1HE HIS 46 -6.022 -13.269 2.301
272 HE2 HIS 46 2HE HIS 46 -7.020 -10.982 2.180
273 H CYS 47 H CYS 47 -1.278 -6.829 2.124
274 HA CYS 47 HA CYS 47 1.305 -7.564 1.180
275 HB2 CYS 47 2HB CYS 47 1.856 -5.195 1.690
276 HB3 CYS 47 1HB CYS 47 0.522 -5.433 0.567
277 H VAL 48 H VAL 48 3.105 -7.763 2.203
278 HA VAL 48 HA VAL 48 3.145 -7.777 5.162
279 HB VAL 48 HB VAL 48 4.917 -9.391 3.281
280 HG11 VAL 48 1HG1 VAL 48 5.574 -10.638 5.282
281 HG12 VAL 48 2HG1 VAL 48 4.550 -9.596 6.264
282 HG13 VAL 48 3HG1 VAL 48 5.954 -8.921 5.436
283 HG21 VAL 48 3HG2 VAL 48 2.546 -10.340 4.878
284 HG22 VAL 48 1HG2 VAL 48 3.648 -11.373 3.969
285 HG23 VAL 48 2HG2 VAL 48 2.629 -10.201 3.124
286 H GLY 49 H GLY 49 4.914 -6.663 6.112
287 HA2 GLY 49 2HA GLY 49 6.633 -5.117 6.216
288 HA3 GLY 49 1HA GLY 49 7.127 -5.678 4.621
289 H CYS 50 H CYS 50 4.202 -4.101 5.839
290 HA CYS 50 HA CYS 50 4.192 -2.444 3.485
291 HB2 CYS 50 2HB CYS 50 2.196 -3.641 3.671
292 HB3 CYS 50 1HB CYS 50 2.096 -3.373 5.408
293 H LYS 51 H LYS 51 4.788 -0.415 3.765
294 HA LYS 51 HA LYS 51 3.961 0.894 6.241
295 HB2 LYS 51 2HB LYS 51 6.337 1.634 4.490
296 HB3 LYS 51 1HB LYS 51 5.826 2.486 5.936
297 HG2 LYS 51 2HG LYS 51 6.368 0.490 7.277
298 HG3 LYS 51 1HG LYS 51 6.927 -0.320 5.811
299 HD2 LYS 51 2HD LYS 51 8.587 1.505 5.501
300 HD3 LYS 51 1HD LYS 51 8.069 2.188 7.041
301 HE2 LYS 51 2HE LYS 51 8.759 0.132 8.181
302 HE3 LYS 51 1HE LYS 51 9.242 -0.558 6.633
303 HZ1 LYS 51 3HZ LYS 51 10.857 1.257 6.419
304 HZ2 LYS 51 1HZ LYS 51 11.162 0.323 7.783
305 HZ3 LYS 51 2HZ LYS 51 10.440 1.826 7.934
306 H ASN 52 H ASN 52 2.014 1.508 5.387
307 HA ASN 52 HA ASN 52 2.141 3.097 2.924
308 HB2 ASN 52 2HB ASN 52 0.553 1.117 2.996
309 HB3 ASN 52 1HB ASN 52 -0.354 1.977 4.230
310 HD21 ASN 52 1HD2 ASN 52 -1.338 1.152 1.694
311 HD22 ASN 52 2HD2 ASN 52 -1.818 2.586 0.859
312 HA PRO 53 HA PRO 53 1.658 6.511 5.850
313 HB2 PRO 53 2HB PRO 53 1.664 8.104 3.360
314 HB3 PRO 53 1HB PRO 53 2.722 8.226 4.768
315 HG2 PRO 53 2HG PRO 53 3.608 7.239 2.439
316 HG3 PRO 53 1HG PRO 53 4.165 6.597 3.993
317 HD2 PRO 53 2HD PRO 53 2.152 5.460 2.094
318 HD3 PRO 53 1HD PRO 53 3.412 4.640 3.045
319 H HIS 54 H HIS 54 -0.233 5.693 3.049
320 HA HIS 54 HA HIS 54 -2.221 7.742 3.518
321 HB2 HIS 54 2HB HIS 54 -2.235 5.432 1.557
322 HB3 HIS 54 1HB HIS 54 -3.481 6.666 1.665
323 HD1 HIS 54 1HD HIS 54 -3.022 8.910 0.493
324 HD2 HIS 54 2HD HIS 54 0.252 6.334 0.510
325 HE1 HIS 54 1HE HIS 54 -1.364 9.926 -1.026
326 HE2 HIS 54 2HE HIS 54 0.649 8.510 -0.896
327 H LYS 55 H LYS 55 -4.009 7.528 4.566
328 HA LYS 55 HA LYS 55 -4.775 4.893 5.582
329 HB2 LYS 55 2HB LYS 55 -5.040 7.596 6.945
330 HB3 LYS 55 1HB LYS 55 -5.589 6.057 7.589
331 HG2 LYS 55 2HG LYS 55 -2.727 6.841 7.078
332 HG3 LYS 55 1HG LYS 55 -3.524 6.783 8.653
333 HD2 LYS 55 2HD LYS 55 -3.871 4.359 8.359
334 HD3 LYS 55 1HD LYS 55 -3.035 4.437 6.807
335 HE2 LYS 55 2HE LYS 55 -1.833 5.160 9.477
336 HE3 LYS 55 1HE LYS 55 -1.573 3.641 8.625
337 HZ1 LYS 55 3HZ LYS 55 -0.802 6.338 7.640
338 HZ2 LYS 55 1HZ LYS 55 -0.489 4.865 6.843
339 HZ3 LYS 55 2HZ LYS 55 0.228 5.210 8.324
340 H GLU 56 H GLU 56 -7.249 5.694 6.557
341 HA GLU 56 HA GLU 56 -8.683 6.216 4.152
342 HB2 GLU 56 2HB GLU 56 -9.449 4.841 6.189
343 HB3 GLU 56 1HB GLU 56 -9.819 6.388 6.945
344 HG2 GLU 56 2HG GLU 56 -11.796 5.427 5.935
345 HG3 GLU 56 1HG GLU 56 -11.322 6.915 5.098
346 H ASP 57 H ASP 57 -8.334 8.122 3.322
347 HA ASP 57 HA ASP 57 -8.111 10.303 2.918
348 HB2 ASP 57 2HB ASP 57 -10.346 10.667 4.006
349 HB3 ASP 57 1HB ASP 57 -9.461 10.830 5.536
350 H TYR 58 H TYR 58 -6.323 11.203 2.928
351 HA TYR 58 HA TYR 58 -4.851 11.476 5.427
352 HB2 TYR 58 2HB TYR 58 -4.163 9.321 4.684
353 HB3 TYR 58 1HB TYR 58 -3.865 9.904 3.053
354 HD1 TYR 58 1HD TYR 58 -2.749 10.484 6.564
355 HD2 TYR 58 2HD TYR 58 -1.688 10.393 2.450
356 HE1 TYR 58 1HE TYR 58 -0.397 10.894 7.159
357 HE2 TYR 58 2HE TYR 58 0.650 10.796 3.032
358 HH TYR 58 HH TYR 58 1.843 11.841 4.876
359 H VAL 59 H VAL 59 -4.499 13.542 5.497
360 HA VAL 59 HA VAL 59 -2.793 14.745 3.487
361 HB VAL 59 HB VAL 59 -5.147 16.275 4.683
362 HG11 VAL 59 1HG1 VAL 59 -3.152 17.031 2.559
363 HG12 VAL 59 2HG1 VAL 59 -3.230 17.663 4.203
364 HG13 VAL 59 3HG1 VAL 59 -4.523 18.015 3.057
365 HG21 VAL 59 3HG2 VAL 59 -6.136 16.342 2.431
366 HG22 VAL 59 1HG2 VAL 59 -6.035 14.696 3.055
367 HG23 VAL 59 2HG2 VAL 59 -4.872 15.255 1.852
Start of MODEL 18
1 H1 SER 8 1HT SER 8 -20.816 2.181 -4.865
2 H2 SER 8 2HT SER 8 -19.982 0.706 -4.997
3 H3 SER 8 3HT SER 8 -20.298 1.640 -6.382
4 HA SER 8 HA SER 8 -18.918 3.352 -5.611
5 HB2 SER 8 2HB SER 8 -18.329 1.505 -3.288
6 HB3 SER 8 1HB SER 8 -17.752 3.159 -3.519
7 HG SER 8 HG SER 8 -19.505 3.014 -2.090
8 HA PRO 9 HA PRO 9 -15.897 0.874 -7.771
9 HB2 PRO 9 2HB PRO 9 -13.822 2.855 -7.143
10 HB3 PRO 9 1HB PRO 9 -14.523 2.449 -8.710
11 HG2 PRO 9 2HG PRO 9 -15.013 4.799 -7.485
12 HG3 PRO 9 1HG PRO 9 -16.218 3.990 -8.500
13 HD2 PRO 9 2HD PRO 9 -16.000 4.057 -5.514
14 HD3 PRO 9 1HD PRO 9 -17.434 4.217 -6.553
15 HA PRO 10 HA PRO 10 -13.716 -1.027 -4.330
16 HB2 PRO 10 2HB PRO 10 -12.278 -2.737 -6.169
17 HB3 PRO 10 1HB PRO 10 -13.616 -3.157 -5.099
18 HG2 PRO 10 2HG PRO 10 -13.832 -3.125 -7.815
19 HG3 PRO 10 1HG PRO 10 -15.194 -2.844 -6.721
20 HD2 PRO 10 2HD PRO 10 -13.511 -0.865 -8.203
21 HD3 PRO 10 1HD PRO 10 -15.277 -0.904 -7.964
22 H LYS 11 H LYS 11 -11.674 -0.944 -3.412
23 HA LYS 11 HA LYS 11 -9.898 0.893 -4.748
24 HB2 LYS 11 2HB LYS 11 -8.765 1.105 -2.611
25 HB3 LYS 11 1HB LYS 11 -10.493 1.286 -2.382
26 HG2 LYS 11 2HG LYS 11 -10.627 -0.979 -1.501
27 HG3 LYS 11 1HG LYS 11 -8.899 -1.199 -1.786
28 HD2 LYS 11 2HD LYS 11 -8.436 0.680 -0.249
29 HD3 LYS 11 1HD LYS 11 -10.165 0.816 0.064
30 HE2 LYS 11 2HE LYS 11 -10.187 -1.462 0.952
31 HE3 LYS 11 1HE LYS 11 -8.467 -1.613 0.614
32 HZ1 LYS 11 3HZ LYS 11 -8.810 -1.115 2.904
33 HZ2 LYS 11 1HZ LYS 11 -9.705 0.267 2.582
34 HZ3 LYS 11 2HZ LYS 11 -8.082 0.232 2.215
35 HA PRO 12 HA PRO 12 -7.001 -2.224 -6.026
36 HB2 PRO 12 2HB PRO 12 -4.840 -0.412 -5.124
37 HB3 PRO 12 1HB PRO 12 -5.143 -1.090 -6.727
38 HG2 PRO 12 2HG PRO 12 -5.609 1.484 -6.213
39 HG3 PRO 12 1HG PRO 12 -6.662 0.546 -7.284
40 HD2 PRO 12 2HD PRO 12 -7.107 1.371 -4.448
41 HD3 PRO 12 1HD PRO 12 -8.247 1.304 -5.812
42 H LYS 13 H LYS 13 -5.645 -3.752 -5.164
43 HA LYS 13 HA LYS 13 -4.929 -3.577 -2.377
44 HB2 LYS 13 2HB LYS 13 -5.687 -6.033 -2.184
45 HB3 LYS 13 1HB LYS 13 -6.914 -4.782 -2.107
46 HG2 LYS 13 2HG LYS 13 -7.460 -5.181 -4.463
47 HG3 LYS 13 1HG LYS 13 -6.241 -6.453 -4.522
48 HD2 LYS 13 2HD LYS 13 -7.426 -7.784 -2.972
49 HD3 LYS 13 1HD LYS 13 -8.535 -6.475 -2.576
50 HE2 LYS 13 2HE LYS 13 -8.309 -7.817 -5.272
51 HE3 LYS 13 1HE LYS 13 -9.547 -8.161 -4.069
52 HZ1 LYS 13 3HZ LYS 13 -10.392 -6.646 -5.707
53 HZ2 LYS 13 1HZ LYS 13 -9.127 -5.567 -5.455
54 HZ3 LYS 13 2HZ LYS 13 -10.269 -5.835 -4.246
55 H CYS 14 H CYS 14 -3.266 -5.137 -1.815
56 HA CYS 14 HA CYS 14 -1.736 -5.971 -4.141
57 HB2 CYS 14 2HB CYS 14 0.248 -4.751 -3.338
58 HB3 CYS 14 1HB CYS 14 -1.093 -3.682 -3.710
59 H ARG 15 H ARG 15 0.069 -7.264 -3.569
60 HA ARG 15 HA ARG 15 -0.143 -8.612 -0.963
61 HB2 ARG 15 2HB ARG 15 0.574 -9.843 -3.641
62 HB3 ARG 15 1HB ARG 15 0.420 -10.699 -2.111
63 HG2 ARG 15 2HG ARG 15 -1.975 -10.117 -2.055
64 HG3 ARG 15 1HG ARG 15 -1.796 -9.324 -3.617
65 HD2 ARG 15 2HD ARG 15 -1.036 -11.484 -4.558
66 HD3 ARG 15 1HD ARG 15 -1.382 -12.240 -3.004
67 HE ARG 15 HE ARG 15 -3.473 -10.810 -4.472
68 HH11 ARG 15 1HH1 ARG 15 -2.392 -13.770 -2.825
69 HH12 ARG 15 2HH1 ARG 15 -3.756 -14.681 -3.301
70 HH21 ARG 15 1HH2 ARG 15 -5.356 -12.075 -5.059
71 HH22 ARG 15 2HH2 ARG 15 -5.461 -13.718 -4.572
72 H CYS 16 H CYS 16 1.387 -6.369 -1.652
73 HA CYS 16 HA CYS 16 4.032 -6.753 -2.423
74 HB2 CYS 16 2HB CYS 16 2.941 -4.791 -0.395
75 HB3 CYS 16 1HB CYS 16 4.541 -4.709 -1.115
76 H GLY 17 H GLY 17 5.896 -7.231 -1.333
77 HA2 GLY 17 2HA GLY 17 7.185 -7.832 0.526
78 HA3 GLY 17 1HA GLY 17 5.706 -8.105 1.444
79 H ILE 18 H ILE 18 4.381 -9.621 -0.526
80 HA ILE 18 HA ILE 18 5.649 -12.180 -0.045
81 HB ILE 18 HB ILE 18 3.063 -11.599 -1.511
82 HG12 ILE 18 2HG1 ILE 18 3.561 -12.089 1.432
83 HG13 ILE 18 1HG1 ILE 18 2.933 -10.644 0.687
84 HG21 ILE 18 1HG2 ILE 18 4.094 -14.117 -0.192
85 HG22 ILE 18 2HG2 ILE 18 3.948 -13.832 -1.925
86 HG23 ILE 18 3HG2 ILE 18 2.500 -13.925 -0.922
87 HD11 ILE 18 3HD1 ILE 18 1.513 -13.298 0.726
88 HD12 ILE 18 1HD1 ILE 18 0.915 -11.806 -0.004
89 HD13 ILE 18 2HD1 ILE 18 1.148 -11.900 1.739
90 H SER 19 H SER 19 4.549 -10.212 -2.773
91 HA SER 19 HA SER 19 5.435 -11.984 -4.775
92 HB2 SER 19 2HB SER 19 4.968 -9.894 -6.189
93 HB3 SER 19 1HB SER 19 3.616 -10.587 -5.286
94 HG SER 19 HG SER 19 3.703 -8.355 -4.996
95 H GLY 20 H GLY 20 6.805 -9.104 -3.260
96 HA2 GLY 20 2HA GLY 20 9.380 -9.803 -4.397
97 HA3 GLY 20 1HA GLY 20 8.725 -8.225 -4.813
98 H SER 21 H SER 21 11.106 -8.885 -3.323
99 HA SER 21 HA SER 21 10.470 -7.545 -0.797
100 HB2 SER 21 2HB SER 21 12.682 -9.544 -1.349
101 HB3 SER 21 1HB SER 21 12.348 -8.755 0.193
102 HG SER 21 HG SER 21 10.221 -10.040 -0.971
103 H SER 22 H SER 22 11.341 -6.657 -3.649
104 HA SER 22 HA SER 22 13.983 -5.670 -3.476
105 HB2 SER 22 2HB SER 22 11.659 -4.502 -5.031
106 HB3 SER 22 1HB SER 22 13.372 -4.299 -5.387
107 HG SER 22 HG SER 22 13.374 -6.695 -5.546
108 H ASN 23 H ASN 23 10.869 -4.491 -2.536
109 HA ASN 23 HA ASN 23 12.100 -2.207 -1.168
110 HB2 ASN 23 2HB ASN 23 9.244 -2.670 -2.069
111 HB3 ASN 23 1HB ASN 23 9.745 -1.320 -1.058
112 HD21 ASN 23 1HD2 ASN 23 9.701 -2.660 -4.238
113 HD22 ASN 23 2HD2 ASN 23 10.311 -1.271 -5.050
114 H THR 24 H THR 24 12.323 -2.578 0.945
115 HA THR 24 HA THR 24 10.706 -4.688 2.138
116 HB THR 24 HB THR 24 12.427 -4.462 4.012
117 HG1 THR 24 1HG THR 24 14.168 -3.346 2.131
118 HG21 THR 24 3HG2 THR 24 12.468 -6.306 2.411
119 HG22 THR 24 1HG2 THR 24 14.113 -5.778 2.748
120 HG23 THR 24 2HG2 THR 24 13.326 -5.303 1.244
121 H LEU 25 H LEU 25 11.741 -1.360 2.653
122 HA LEU 25 HA LEU 25 9.765 -1.005 4.723
123 HB2 LEU 25 2HB LEU 25 12.232 -0.332 4.841
124 HB3 LEU 25 1HB LEU 25 11.839 0.907 3.672
125 HG LEU 25 HG LEU 25 10.472 0.654 6.276
126 HD11 LEU 25 1HD1 LEU 25 12.842 0.893 6.747
127 HD12 LEU 25 2HD1 LEU 25 12.074 2.445 7.091
128 HD13 LEU 25 3HD1 LEU 25 12.971 2.212 5.589
129 HD21 LEU 25 3HD2 LEU 25 9.344 2.118 4.684
130 HD22 LEU 25 1HD2 LEU 25 10.833 3.030 4.436
131 HD23 LEU 25 2HD2 LEU 25 10.014 3.086 5.996
132 H THR 26 H THR 26 10.748 0.046 1.502
133 HA THR 26 HA THR 26 8.570 1.899 1.314
134 HB THR 26 HB THR 26 9.588 2.169 -1.048
135 HG1 THR 26 1HG THR 26 11.131 0.812 -1.481
136 HG21 THR 26 3HG2 THR 26 9.920 3.791 0.759
137 HG22 THR 26 1HG2 THR 26 11.417 3.573 -0.146
138 HG23 THR 26 2HG2 THR 26 11.214 2.800 1.426
139 H THR 27 H THR 27 8.086 -1.074 1.513
140 HA THR 27 HA THR 27 7.569 -2.506 -0.725
141 HB THR 27 HB THR 27 5.565 -2.695 1.378
142 HG1 THR 27 1HG THR 27 7.157 -3.053 3.031
143 HG21 THR 27 3HG2 THR 27 6.235 -4.582 -0.069
144 HG22 THR 27 1HG2 THR 27 6.541 -4.939 1.627
145 HG23 THR 27 2HG2 THR 27 7.877 -4.486 0.564
146 H CYS 28 H CYS 28 5.104 -0.909 1.183
147 HA CYS 28 HA CYS 28 3.399 -0.660 -1.114
148 HB2 CYS 28 2HB CYS 28 2.853 -0.410 1.815
149 HB3 CYS 28 1HB CYS 28 1.635 -0.054 0.592
150 H ARG 29 H ARG 29 5.690 1.118 0.102
151 HA ARG 29 HA ARG 29 4.291 3.679 0.143
152 HB2 ARG 29 2HB ARG 29 5.871 2.878 1.956
153 HB3 ARG 29 1HB ARG 29 7.166 3.128 0.791
154 HG2 ARG 29 2HG ARG 29 6.571 5.502 0.693
155 HG3 ARG 29 1HG ARG 29 5.319 5.216 1.898
156 HD2 ARG 29 2HD ARG 29 7.055 4.363 3.453
157 HD3 ARG 29 1HD ARG 29 8.283 4.807 2.271
158 HE ARG 29 HE ARG 29 6.445 6.807 3.376
159 HH11 ARG 29 1HH1 ARG 29 9.785 5.694 2.856
160 HH12 ARG 29 2HH1 ARG 29 10.492 7.106 3.472
161 HH21 ARG 29 1HH2 ARG 29 7.408 8.693 4.244
162 HH22 ARG 29 2HH2 ARG 29 9.114 8.889 4.258
163 H ASN 30 H ASN 30 5.755 1.861 -2.153
164 HA ASN 30 HA ASN 30 6.923 4.221 -3.464
165 HB2 ASN 30 2HB ASN 30 8.316 2.835 -4.825
166 HB3 ASN 30 1HB ASN 30 8.432 2.172 -3.205
167 HD21 ASN 30 1HD2 ASN 30 7.449 0.183 -2.791
168 HD22 ASN 30 2HD2 ASN 30 7.026 -0.910 -4.054
169 H SER 31 H SER 31 6.626 4.357 -5.854
170 HA SER 31 HA SER 31 3.899 4.605 -6.341
171 HB2 SER 31 2HB SER 31 6.220 4.794 -8.237
172 HB3 SER 31 1HB SER 31 4.602 5.469 -8.494
173 HG SER 31 HG SER 31 4.891 6.807 -6.774
174 H ARG 32 H ARG 32 5.735 1.774 -6.675
175 HA ARG 32 HA ARG 32 4.029 0.796 -8.815
176 HB2 ARG 32 2HB ARG 32 6.445 -0.452 -7.512
177 HB3 ARG 32 1HB ARG 32 5.450 -1.283 -8.699
178 HG2 ARG 32 2HG ARG 32 6.981 1.272 -9.156
179 HG3 ARG 32 1HG ARG 32 7.440 -0.335 -9.731
180 HD2 ARG 32 2HD ARG 32 5.341 -0.437 -11.032
181 HD3 ARG 32 1HD ARG 32 4.942 1.187 -10.489
182 HE ARG 32 HE ARG 32 7.423 1.340 -11.627
183 HH11 ARG 32 1HH1 ARG 32 4.122 0.546 -12.631
184 HH12 ARG 32 2HH1 ARG 32 4.334 1.016 -14.254
185 HH21 ARG 32 1HH2 ARG 32 7.721 1.991 -13.871
186 HH22 ARG 32 2HH2 ARG 32 6.431 1.873 -14.966
187 H CYS 33 H CYS 33 3.663 1.165 -5.677
188 HA CYS 33 HA CYS 33 2.238 -1.323 -5.301
189 HB2 CYS 33 2HB CYS 33 3.407 -0.319 -3.349
190 HB3 CYS 33 1HB CYS 33 2.426 1.130 -3.516
191 HA PRO 34 HA PRO 34 -1.069 0.492 -7.610
192 HB2 PRO 34 2HB PRO 34 -3.028 -1.305 -6.894
193 HB3 PRO 34 1HB PRO 34 -1.825 -1.590 -8.153
194 HG2 PRO 34 2HG PRO 34 -1.857 -2.515 -5.318
195 HG3 PRO 34 1HG PRO 34 -1.356 -3.383 -6.783
196 HD2 PRO 34 2HD PRO 34 0.424 -2.333 -5.073
197 HD3 PRO 34 1HD PRO 34 0.726 -2.378 -6.819
198 H CYS 35 H CYS 35 -1.271 -0.118 -4.249
199 HA CYS 35 HA CYS 35 -3.725 1.288 -3.779
200 HB2 CYS 35 2HB CYS 35 -1.485 0.550 -1.924
201 HB3 CYS 35 1HB CYS 35 -3.061 1.152 -1.419
202 H TYR 36 H TYR 36 -0.372 1.983 -3.023
203 HA TYR 36 HA TYR 36 -0.528 4.480 -1.916
204 HB2 TYR 36 2HB TYR 36 1.509 3.209 -1.864
205 HB3 TYR 36 1HB TYR 36 1.654 3.279 -3.615
206 HD1 TYR 36 1HD TYR 36 1.916 5.249 -0.508
207 HD2 TYR 36 2HD TYR 36 2.639 5.167 -4.688
208 HE1 TYR 36 1HE TYR 36 3.296 7.267 -0.300
209 HE2 TYR 36 2HE TYR 36 4.019 7.182 -4.509
210 HH TYR 36 HH TYR 36 4.207 9.077 -3.011
211 H LYS 37 H LYS 37 0.105 3.795 -5.335
212 HA LYS 37 HA LYS 37 0.240 6.563 -5.991
213 HB2 LYS 37 2HB LYS 37 1.452 4.702 -7.164
214 HB3 LYS 37 1HB LYS 37 -0.087 4.245 -7.881
215 HG2 LYS 37 2HG LYS 37 -0.242 6.464 -8.918
216 HG3 LYS 37 1HG LYS 37 1.328 6.874 -8.232
217 HD2 LYS 37 2HD LYS 37 1.604 6.218 -10.537
218 HD3 LYS 37 1HD LYS 37 2.321 4.989 -9.492
219 HE2 LYS 37 2HE LYS 37 0.392 3.572 -9.766
220 HE3 LYS 37 1HE LYS 37 -0.440 4.826 -10.687
221 HZ1 LYS 37 3HZ LYS 37 1.314 4.653 -12.346
222 HZ2 LYS 37 1HZ LYS 37 0.459 3.211 -12.156
223 HZ3 LYS 37 2HZ LYS 37 1.998 3.349 -11.492
224 H SER 38 H SER 38 -2.353 4.401 -5.608
225 HA SER 38 HA SER 38 -4.125 6.043 -7.256
226 HB2 SER 38 2HB SER 38 -4.670 3.386 -5.939
227 HB3 SER 38 1HB SER 38 -5.676 4.190 -7.143
228 HG SER 38 HG SER 38 -3.529 2.610 -7.441
229 H TYR 39 H TYR 39 -2.950 6.386 -4.376
230 HA TYR 39 HA TYR 39 -3.533 7.616 -2.562
231 HB2 TYR 39 2HB TYR 39 -6.245 7.912 -3.873
232 HB3 TYR 39 1HB TYR 39 -5.696 8.817 -2.471
233 HD1 TYR 39 2HD TYR 39 -3.987 10.565 -2.732
234 HD2 TYR 39 1HD TYR 39 -5.513 8.449 -6.079
235 HE1 TYR 39 2HE TYR 39 -3.063 12.269 -4.226
236 HE2 TYR 39 1HE TYR 39 -4.595 10.136 -7.587
237 HH TYR 39 HH TYR 39 -3.913 12.428 -7.537
238 H ASN 40 H ASN 40 -4.086 4.651 -2.705
239 HA ASN 40 HA ASN 40 -6.123 4.618 -0.605
240 HB2 ASN 40 2HB ASN 40 -5.514 2.519 -2.659
241 HB3 ASN 40 1HB ASN 40 -6.375 2.140 -1.172
242 HD21 ASN 40 1HD2 ASN 40 -6.511 3.785 -4.211
243 HD22 ASN 40 2HD2 ASN 40 -8.206 4.071 -4.189
244 H SER 41 H SER 41 -5.941 3.281 1.172
245 HA SER 41 HA SER 41 -3.314 2.889 2.098
246 HB2 SER 41 2HB SER 41 -5.878 2.281 3.473
247 HB3 SER 41 1HB SER 41 -4.400 3.050 4.064
248 HG SER 41 HG SER 41 -5.740 4.798 3.809
249 H CYS 42 H CYS 42 -3.365 0.691 3.567
250 HA CYS 42 HA CYS 42 -4.061 -1.389 1.628
251 HB2 CYS 42 2HB CYS 42 -1.700 -1.207 3.436
252 HB3 CYS 42 1HB CYS 42 -2.168 -2.705 2.631
253 H ALA 43 H ALA 43 -5.614 -0.474 4.091
254 HA ALA 43 HA ALA 43 -5.639 -2.843 5.697
255 HB1 ALA 43 1HB ALA 43 -7.755 -0.704 5.410
256 HB2 ALA 43 2HB ALA 43 -6.444 -0.689 6.589
257 HB3 ALA 43 3HB ALA 43 -7.695 -1.932 6.674
258 H GLY 44 H GLY 44 -6.360 -4.740 5.038
259 HA2 GLY 44 2HA GLY 44 -8.199 -6.082 4.206
260 HA3 GLY 44 1HA GLY 44 -8.515 -4.808 3.046
261 H CYS 45 H CYS 45 -5.356 -4.775 2.916
262 HA CYS 45 HA CYS 45 -5.223 -6.432 0.547
263 HB2 CYS 45 2HB CYS 45 -3.046 -4.934 2.019
264 HB3 CYS 45 1HB CYS 45 -2.864 -5.709 0.458
265 H HIS 46 H HIS 46 -3.065 -7.806 0.438
266 HA HIS 46 HA HIS 46 -2.850 -9.303 2.953
267 HB2 HIS 46 2HB HIS 46 -2.685 -10.342 0.118
268 HB3 HIS 46 1HB HIS 46 -2.109 -11.263 1.501
269 HD1 HIS 46 1HD HIS 46 -4.010 -11.878 3.325
270 HD2 HIS 46 2HD HIS 46 -5.363 -10.557 -0.370
271 HE1 HIS 46 1HE HIS 46 -6.419 -12.530 3.216
272 HE2 HIS 46 2HE HIS 46 -7.111 -11.980 0.868
273 H CYS 47 H CYS 47 -1.439 -6.996 1.816
274 HA CYS 47 HA CYS 47 1.197 -7.779 1.175
275 HB2 CYS 47 2HB CYS 47 1.739 -5.354 1.672
276 HB3 CYS 47 1HB CYS 47 0.582 -5.635 0.388
277 H VAL 48 H VAL 48 2.995 -7.848 2.326
278 HA VAL 48 HA VAL 48 2.752 -7.966 5.258
279 HB VAL 48 HB VAL 48 4.566 -9.578 3.424
280 HG11 VAL 48 1HG1 VAL 48 5.639 -9.098 5.549
281 HG12 VAL 48 2HG1 VAL 48 5.214 -10.806 5.437
282 HG13 VAL 48 3HG1 VAL 48 4.233 -9.715 6.417
283 HG21 VAL 48 3HG2 VAL 48 3.265 -11.527 4.169
284 HG22 VAL 48 1HG2 VAL 48 2.270 -10.356 3.299
285 HG23 VAL 48 2HG2 VAL 48 2.190 -10.442 5.057
286 H GLY 49 H GLY 49 4.157 -6.695 6.347
287 HA2 GLY 49 2HA GLY 49 5.867 -5.222 6.739
288 HA3 GLY 49 1HA GLY 49 6.615 -5.733 5.222
289 H CYS 50 H CYS 50 3.460 -4.418 5.909
290 HA CYS 50 HA CYS 50 3.647 -2.758 3.585
291 HB2 CYS 50 2HB CYS 50 1.582 -3.824 3.848
292 HB3 CYS 50 1HB CYS 50 1.462 -3.356 5.539
293 H LYS 51 H LYS 51 4.852 -0.971 3.859
294 HA LYS 51 HA LYS 51 3.924 0.805 5.985
295 HB2 LYS 51 2HB LYS 51 6.335 1.024 4.150
296 HB3 LYS 51 1HB LYS 51 5.795 2.335 5.174
297 HG2 LYS 51 2HG LYS 51 7.670 1.291 6.218
298 HG3 LYS 51 1HG LYS 51 6.231 0.890 7.144
299 HD2 LYS 51 2HD LYS 51 6.178 -1.326 6.165
300 HD3 LYS 51 1HD LYS 51 7.534 -0.921 5.114
301 HE2 LYS 51 2HE LYS 51 8.313 -2.227 7.004
302 HE3 LYS 51 1HE LYS 51 8.951 -0.595 7.086
303 HZ1 LYS 51 3HZ LYS 51 6.657 -1.651 8.645
304 HZ2 LYS 51 1HZ LYS 51 7.214 -0.056 8.732
305 HZ3 LYS 51 2HZ LYS 51 8.191 -1.316 9.252
306 H ASN 52 H ASN 52 2.023 1.364 5.146
307 HA ASN 52 HA ASN 52 2.091 2.722 2.561
308 HB2 ASN 52 2HB ASN 52 0.490 0.847 2.629
309 HB3 ASN 52 1HB ASN 52 -0.298 1.562 4.027
310 HD21 ASN 52 1HD2 ASN 52 0.090 1.701 0.571
311 HD22 ASN 52 2HD2 ASN 52 -1.193 2.834 0.320
312 HA PRO 53 HA PRO 53 1.920 6.286 5.300
313 HB2 PRO 53 2HB PRO 53 1.605 7.714 2.739
314 HB3 PRO 53 1HB PRO 53 2.802 7.946 4.014
315 HG2 PRO 53 2HG PRO 53 3.502 6.805 1.737
316 HG3 PRO 53 1HG PRO 53 4.106 6.180 3.288
317 HD2 PRO 53 2HD PRO 53 1.892 5.128 1.561
318 HD3 PRO 53 1HD PRO 53 3.222 4.262 2.372
319 H HIS 54 H HIS 54 -0.601 5.157 3.340
320 HA HIS 54 HA HIS 54 -2.291 7.450 3.970
321 HB2 HIS 54 2HB HIS 54 -2.791 5.090 2.154
322 HB3 HIS 54 1HB HIS 54 -4.032 6.256 2.574
323 HD1 HIS 54 1HD HIS 54 -4.138 8.332 1.183
324 HD2 HIS 54 2HD HIS 54 -0.634 6.188 0.588
325 HE1 HIS 54 1HE HIS 54 -3.028 9.398 -0.777
326 HE2 HIS 54 2HE HIS 54 -0.783 8.347 -0.834
327 H LYS 55 H LYS 55 -3.833 7.380 5.372
328 HA LYS 55 HA LYS 55 -4.263 4.977 6.986
329 HB2 LYS 55 2HB LYS 55 -3.811 7.188 8.053
330 HB3 LYS 55 1HB LYS 55 -5.191 7.861 7.212
331 HG2 LYS 55 2HG LYS 55 -5.775 7.500 9.501
332 HG3 LYS 55 1HG LYS 55 -6.651 6.330 8.514
333 HD2 LYS 55 2HD LYS 55 -5.080 4.591 9.132
334 HD3 LYS 55 1HD LYS 55 -4.092 5.762 10.005
335 HE2 LYS 55 2HE LYS 55 -5.906 6.189 11.558
336 HE3 LYS 55 1HE LYS 55 -6.956 5.094 10.672
337 HZ1 LYS 55 3HZ LYS 55 -4.439 4.292 12.024
338 HZ2 LYS 55 1HZ LYS 55 -5.555 3.255 11.306
339 HZ3 LYS 55 2HZ LYS 55 -5.963 4.125 12.695
340 H GLU 56 H GLU 56 -6.568 4.187 7.114
341 HA GLU 56 HA GLU 56 -8.038 4.449 4.721
342 HB2 GLU 56 2HB GLU 56 -8.921 3.596 7.489
343 HB3 GLU 56 1HB GLU 56 -9.948 3.509 6.071
344 HG2 GLU 56 2HG GLU 56 -7.306 2.120 6.286
345 HG3 GLU 56 1HG GLU 56 -8.836 1.355 6.751
346 H ASP 57 H ASP 57 -8.864 6.196 4.048
347 HA ASP 57 HA ASP 57 -9.027 8.565 5.610
348 HB2 ASP 57 2HB ASP 57 -8.420 8.510 3.177
349 HB3 ASP 57 1HB ASP 57 -10.126 8.076 2.938
350 H TYR 58 H TYR 58 -10.426 7.832 7.071
351 HA TYR 58 HA TYR 58 -13.096 8.836 6.534
352 HB2 TYR 58 2HB TYR 58 -12.933 6.187 6.469
353 HB3 TYR 58 1HB TYR 58 -12.919 6.365 8.220
354 HD1 TYR 58 1HD TYR 58 -14.840 7.197 5.179
355 HD2 TYR 58 2HD TYR 58 -14.965 6.669 9.394
356 HE1 TYR 58 1HE TYR 58 -17.283 7.316 5.107
357 HE2 TYR 58 2HE TYR 58 -17.426 6.791 9.337
358 HH TYR 58 HH TYR 58 -19.158 7.763 7.830
359 H VAL 59 H VAL 59 -12.277 10.588 7.637
360 HA VAL 59 HA VAL 59 -11.300 10.303 10.332
361 HB VAL 59 HB VAL 59 -12.002 12.836 8.801
362 HG11 VAL 59 1HG1 VAL 59 -10.351 12.454 11.301
363 HG12 VAL 59 2HG1 VAL 59 -11.951 13.186 11.212
364 HG13 VAL 59 3HG1 VAL 59 -10.572 13.978 10.438
365 HG21 VAL 59 3HG2 VAL 59 -9.320 11.491 9.159
366 HG22 VAL 59 1HG2 VAL 59 -9.590 13.048 8.377
367 HG23 VAL 59 2HG2 VAL 59 -10.242 11.575 7.660
Start of MODEL 19
1 H1 SER 8 1HT SER 8 -18.862 3.035 2.026
2 H2 SER 8 2HT SER 8 -19.045 1.889 0.787
3 H3 SER 8 3HT SER 8 -18.838 3.497 0.394
4 HA SER 8 HA SER 8 -16.628 3.464 1.258
5 HB2 SER 8 2HB SER 8 -17.034 1.706 2.998
6 HB3 SER 8 1HB SER 8 -17.181 0.511 1.713
7 HG SER 8 HG SER 8 -15.106 0.315 1.844
8 HA PRO 9 HA PRO 9 -16.122 2.195 -3.004
9 HB2 PRO 9 2HB PRO 9 -13.804 3.518 -3.461
10 HB3 PRO 9 1HB PRO 9 -15.361 4.349 -3.442
11 HG2 PRO 9 2HG PRO 9 -13.238 4.252 -1.353
12 HG3 PRO 9 1HG PRO 9 -14.312 5.587 -1.797
13 HD2 PRO 9 2HD PRO 9 -14.669 3.932 0.388
14 HD3 PRO 9 1HD PRO 9 -15.949 4.886 -0.380
15 HA PRO 10 HA PRO 10 -13.381 -1.203 -1.983
16 HB2 PRO 10 2HB PRO 10 -13.140 -2.207 -4.546
17 HB3 PRO 10 1HB PRO 10 -14.494 -2.575 -3.472
18 HG2 PRO 10 2HG PRO 10 -14.328 -0.603 -5.702
19 HG3 PRO 10 1HG PRO 10 -15.681 -1.644 -5.232
20 HD2 PRO 10 2HD PRO 10 -15.591 0.982 -4.634
21 HD3 PRO 10 1HD PRO 10 -16.366 -0.211 -3.571
22 H LYS 11 H LYS 11 -11.250 -1.034 -1.753
23 HA LYS 11 HA LYS 11 -9.900 0.698 -3.637
24 HB2 LYS 11 2HB LYS 11 -8.220 1.107 -1.830
25 HB3 LYS 11 1HB LYS 11 -9.847 1.666 -1.490
26 HG2 LYS 11 2HG LYS 11 -10.178 -0.325 -0.047
27 HG3 LYS 11 1HG LYS 11 -8.499 -0.785 -0.349
28 HD2 LYS 11 2HD LYS 11 -8.670 0.404 1.781
29 HD3 LYS 11 1HD LYS 11 -7.755 1.369 0.623
30 HE2 LYS 11 2HE LYS 11 -9.817 2.668 0.138
31 HE3 LYS 11 1HE LYS 11 -10.668 1.729 1.359
32 HZ1 LYS 11 3HZ LYS 11 -8.347 3.524 1.824
33 HZ2 LYS 11 1HZ LYS 11 -9.154 2.692 3.044
34 HZ3 LYS 11 2HZ LYS 11 -9.932 3.899 2.151
35 HA PRO 12 HA PRO 12 -7.322 -2.378 -5.323
36 HB2 PRO 12 2HB PRO 12 -4.942 -0.772 -4.677
37 HB3 PRO 12 1HB PRO 12 -5.512 -1.326 -6.244
38 HG2 PRO 12 2HG PRO 12 -5.726 1.242 -5.538
39 HG3 PRO 12 1HG PRO 12 -6.953 0.431 -6.524
40 HD2 PRO 12 2HD PRO 12 -7.023 1.185 -3.652
41 HD3 PRO 12 1HD PRO 12 -8.329 1.157 -4.851
42 H LYS 13 H LYS 13 -6.119 -4.098 -4.706
43 HA LYS 13 HA LYS 13 -4.938 -3.973 -2.063
44 HB2 LYS 13 2HB LYS 13 -5.584 -6.367 -1.701
45 HB3 LYS 13 1HB LYS 13 -6.931 -5.245 -1.735
46 HG2 LYS 13 2HG LYS 13 -7.334 -5.949 -4.089
47 HG3 LYS 13 1HG LYS 13 -6.101 -7.203 -3.873
48 HD2 LYS 13 2HD LYS 13 -7.376 -8.110 -2.002
49 HD3 LYS 13 1HD LYS 13 -8.589 -6.845 -2.208
50 HE2 LYS 13 2HE LYS 13 -8.971 -7.728 -4.519
51 HE3 LYS 13 1HE LYS 13 -7.911 -9.072 -4.111
52 HZ1 LYS 13 3HZ LYS 13 -9.447 -9.595 -2.249
53 HZ2 LYS 13 1HZ LYS 13 -10.181 -9.700 -3.761
54 HZ3 LYS 13 2HZ LYS 13 -10.470 -8.377 -2.785
55 H CYS 14 H CYS 14 -3.137 -5.298 -1.711
56 HA CYS 14 HA CYS 14 -1.734 -5.974 -4.193
57 HB2 CYS 14 2HB CYS 14 0.209 -4.664 -3.397
58 HB3 CYS 14 1HB CYS 14 -1.217 -3.686 -3.614
59 H ARG 15 H ARG 15 0.307 -7.149 -3.756
60 HA ARG 15 HA ARG 15 0.175 -8.853 -1.357
61 HB2 ARG 15 2HB ARG 15 0.902 -9.501 -4.228
62 HB3 ARG 15 1HB ARG 15 1.470 -10.494 -2.907
63 HG2 ARG 15 2HG ARG 15 -0.473 -11.473 -4.007
64 HG3 ARG 15 1HG ARG 15 -0.818 -11.080 -2.326
65 HD2 ARG 15 2HD ARG 15 -2.688 -10.552 -3.819
66 HD3 ARG 15 1HD ARG 15 -2.057 -9.117 -3.018
67 HE ARG 15 HE ARG 15 -0.790 -9.296 -5.469
68 HH11 ARG 15 1HH1 ARG 15 -4.128 -8.960 -4.350
69 HH12 ARG 15 2HH1 ARG 15 -4.650 -8.101 -5.727
70 HH21 ARG 15 1HH2 ARG 15 -1.507 -8.078 -7.343
71 HH22 ARG 15 2HH2 ARG 15 -3.132 -7.588 -7.454
72 H CYS 16 H CYS 16 1.502 -6.304 -1.886
73 HA CYS 16 HA CYS 16 4.238 -6.434 -2.352
74 HB2 CYS 16 2HB CYS 16 2.726 -4.618 -0.460
75 HB3 CYS 16 1HB CYS 16 4.377 -4.353 -0.986
76 H GLY 17 H GLY 17 5.950 -7.089 -1.156
77 HA2 GLY 17 2HA GLY 17 7.047 -7.430 0.949
78 HA3 GLY 17 1HA GLY 17 5.472 -7.781 1.657
79 H ILE 18 H ILE 18 4.504 -9.414 -0.360
80 HA ILE 18 HA ILE 18 5.894 -11.900 0.197
81 HB ILE 18 HB ILE 18 3.545 -11.435 -1.665
82 HG12 ILE 18 2HG1 ILE 18 3.486 -12.031 1.303
83 HG13 ILE 18 1HG1 ILE 18 3.001 -10.536 0.536
84 HG21 ILE 18 1HG2 ILE 18 4.664 -13.598 -1.907
85 HG22 ILE 18 2HG2 ILE 18 3.049 -13.793 -1.228
86 HG23 ILE 18 3HG2 ILE 18 4.460 -13.904 -0.178
87 HD11 ILE 18 3HD1 ILE 18 1.655 -13.191 0.106
88 HD12 ILE 18 1HD1 ILE 18 1.186 -11.655 -0.623
89 HD13 ILE 18 2HD1 ILE 18 1.060 -11.878 1.123
90 H SER 19 H SER 19 4.796 -10.027 -2.553
91 HA SER 19 HA SER 19 7.210 -10.698 -4.013
92 HB2 SER 19 2HB SER 19 4.396 -10.810 -5.142
93 HB3 SER 19 1HB SER 19 5.890 -11.081 -6.048
94 HG SER 19 HG SER 19 6.075 -12.687 -4.041
95 H GLY 20 H GLY 20 8.117 -8.769 -4.085
96 HA2 GLY 20 2HA GLY 20 7.577 -6.718 -5.647
97 HA3 GLY 20 1HA GLY 20 6.523 -6.362 -4.279
98 H SER 21 H SER 21 9.861 -7.389 -4.900
99 HA SER 21 HA SER 21 10.765 -6.226 -2.477
100 HB2 SER 21 2HB SER 21 13.040 -6.803 -3.497
101 HB3 SER 21 1HB SER 21 11.944 -8.148 -3.188
102 HG SER 21 HG SER 21 12.075 -6.823 -5.685
103 H SER 22 H SER 22 10.494 -4.125 -2.392
104 HA SER 22 HA SER 22 12.112 -2.449 -4.143
105 HB2 SER 22 2HB SER 22 9.188 -1.921 -3.479
106 HB3 SER 22 1HB SER 22 10.239 -0.871 -4.432
107 HG SER 22 HG SER 22 10.293 -3.386 -5.354
108 H ASN 23 H ASN 23 12.595 -3.469 -1.627
109 HA ASN 23 HA ASN 23 13.368 -2.984 0.409
110 HB2 ASN 23 2HB ASN 23 12.791 -0.112 -0.329
111 HB3 ASN 23 1HB ASN 23 13.396 -0.560 1.255
112 HD21 ASN 23 1HD2 ASN 23 14.126 -0.196 -2.078
113 HD22 ASN 23 2HD2 ASN 23 15.831 -0.420 -1.945
114 H THR 24 H THR 24 12.594 -3.242 2.389
115 HA THR 24 HA THR 24 9.788 -3.388 2.670
116 HB THR 24 HB THR 24 11.870 -3.570 4.875
117 HG1 THR 24 1HG THR 24 12.559 -5.231 3.761
118 HG21 THR 24 3HG2 THR 24 9.164 -4.905 4.525
119 HG22 THR 24 1HG2 THR 24 9.499 -3.567 5.626
120 HG23 THR 24 2HG2 THR 24 10.256 -5.136 5.891
121 H LEU 25 H LEU 25 11.904 -0.798 3.016
122 HA LEU 25 HA LEU 25 10.353 0.705 4.943
123 HB2 LEU 25 2HB LEU 25 12.549 1.546 3.064
124 HB3 LEU 25 1HB LEU 25 11.843 2.559 4.299
125 HG LEU 25 HG LEU 25 13.375 0.019 4.831
126 HD11 LEU 25 1HD1 LEU 25 15.141 1.527 5.620
127 HD12 LEU 25 2HD1 LEU 25 14.178 2.909 5.096
128 HD13 LEU 25 3HD1 LEU 25 14.796 1.765 3.907
129 HD21 LEU 25 3HD2 LEU 25 11.698 0.542 6.546
130 HD22 LEU 25 1HD2 LEU 25 12.353 2.170 6.690
131 HD23 LEU 25 2HD2 LEU 25 13.332 0.775 7.159
132 H THR 26 H THR 26 10.264 0.068 1.580
133 HA THR 26 HA THR 26 8.408 2.242 1.275
134 HB THR 26 HB THR 26 9.431 2.326 -1.173
135 HG1 THR 26 1HG THR 26 11.023 0.810 -1.003
136 HG21 THR 26 3HG2 THR 26 10.875 4.184 -0.429
137 HG22 THR 26 1HG2 THR 26 10.714 3.636 1.238
138 HG23 THR 26 2HG2 THR 26 9.304 4.241 0.368
139 H THR 27 H THR 27 8.144 -0.815 1.543
140 HA THR 27 HA THR 27 7.662 -2.184 -0.761
141 HB THR 27 HB THR 27 5.791 -2.595 1.509
142 HG1 THR 27 1HG THR 27 7.384 -2.975 2.945
143 HG21 THR 27 3HG2 THR 27 6.171 -4.243 -0.341
144 HG22 THR 27 1HG2 THR 27 6.536 -4.889 1.259
145 HG23 THR 27 2HG2 THR 27 7.842 -4.382 0.195
146 H CYS 28 H CYS 28 5.103 -0.805 1.259
147 HA CYS 28 HA CYS 28 3.365 -0.688 -1.024
148 HB2 CYS 28 2HB CYS 28 2.831 -0.469 1.910
149 HB3 CYS 28 1HB CYS 28 1.576 -0.117 0.724
150 H ARG 29 H ARG 29 5.530 1.232 0.125
151 HA ARG 29 HA ARG 29 4.077 3.769 -0.004
152 HB2 ARG 29 2HB ARG 29 5.398 3.274 1.960
153 HB3 ARG 29 1HB ARG 29 6.774 2.922 0.950
154 HG2 ARG 29 2HG ARG 29 6.883 5.324 0.353
155 HG3 ARG 29 1HG ARG 29 5.544 5.610 1.466
156 HD2 ARG 29 2HD ARG 29 6.768 4.947 3.341
157 HD3 ARG 29 1HD ARG 29 8.017 4.180 2.371
158 HE ARG 29 HE ARG 29 7.818 6.979 1.907
159 HH11 ARG 29 1HH1 ARG 29 9.208 4.521 4.085
160 HH12 ARG 29 2HH1 ARG 29 10.482 5.541 4.598
161 HH21 ARG 29 1HH2 ARG 29 9.624 8.285 2.568
162 HH22 ARG 29 2HH2 ARG 29 10.742 7.678 3.702
163 H ASN 30 H ASN 30 5.364 1.873 -2.278
164 HA ASN 30 HA ASN 30 6.624 4.146 -3.647
165 HB2 ASN 30 2HB ASN 30 8.158 2.738 -4.814
166 HB3 ASN 30 1HB ASN 30 8.193 2.166 -3.151
167 HD21 ASN 30 1HD2 ASN 30 7.337 0.149 -2.698
168 HD22 ASN 30 2HD2 ASN 30 6.938 -0.991 -3.929
169 H SER 31 H SER 31 6.534 3.721 -6.173
170 HA SER 31 HA SER 31 3.794 4.081 -6.729
171 HB2 SER 31 2HB SER 31 6.097 3.858 -8.640
172 HB3 SER 31 1HB SER 31 4.552 4.674 -8.908
173 HG SER 31 HG SER 31 5.065 6.121 -7.290
174 H ARG 32 H ARG 32 5.534 1.171 -6.590
175 HA ARG 32 HA ARG 32 4.080 -0.121 -8.751
176 HB2 ARG 32 2HB ARG 32 5.956 -1.252 -6.681
177 HB3 ARG 32 1HB ARG 32 5.278 -2.148 -8.039
178 HG2 ARG 32 2HG ARG 32 6.425 -0.781 -9.602
179 HG3 ARG 32 1HG ARG 32 6.948 0.311 -8.320
180 HD2 ARG 32 2HD ARG 32 8.278 -1.469 -7.336
181 HD3 ARG 32 1HD ARG 32 7.740 -2.577 -8.604
182 HE ARG 32 HE ARG 32 8.730 -0.537 -9.987
183 HH11 ARG 32 1HH1 ARG 32 10.114 -2.306 -7.261
184 HH12 ARG 32 2HH1 ARG 32 11.709 -2.252 -7.847
185 HH21 ARG 32 1HH2 ARG 32 10.873 -0.441 -10.798
186 HH22 ARG 32 2HH2 ARG 32 12.160 -1.154 -9.949
187 H CYS 33 H CYS 33 3.563 0.657 -5.560
188 HA CYS 33 HA CYS 33 1.823 -1.567 -5.047
189 HB2 CYS 33 2HB CYS 33 3.145 -0.584 -3.203
190 HB3 CYS 33 1HB CYS 33 2.335 0.957 -3.444
191 HA PRO 34 HA PRO 34 -1.266 0.547 -7.506
192 HB2 PRO 34 2HB PRO 34 -3.368 -1.070 -6.677
193 HB3 PRO 34 1HB PRO 34 -2.269 -1.455 -8.010
194 HG2 PRO 34 2HG PRO 34 -2.240 -2.356 -5.165
195 HG3 PRO 34 1HG PRO 34 -1.896 -3.284 -6.637
196 HD2 PRO 34 2HD PRO 34 0.055 -2.425 -5.060
197 HD3 PRO 34 1HD PRO 34 0.250 -2.413 -6.828
198 H CYS 35 H CYS 35 -1.465 -0.084 -4.166
199 HA CYS 35 HA CYS 35 -3.789 1.414 -3.509
200 HB2 CYS 35 2HB CYS 35 -1.429 0.644 -1.828
201 HB3 CYS 35 1HB CYS 35 -3.004 1.148 -1.226
202 H TYR 36 H TYR 36 -0.364 1.996 -2.927
203 HA TYR 36 HA TYR 36 -0.491 4.597 -1.960
204 HB2 TYR 36 2HB TYR 36 1.489 3.182 -1.769
205 HB3 TYR 36 1HB TYR 36 1.745 3.287 -3.507
206 HD1 TYR 36 2HD TYR 36 1.786 5.195 -0.353
207 HD2 TYR 36 1HD TYR 36 2.847 5.172 -4.471
208 HE1 TYR 36 2HE TYR 36 3.146 7.211 -0.009
209 HE2 TYR 36 1HE TYR 36 4.205 7.180 -4.149
210 HH TYR 36 HH TYR 36 4.236 9.093 -2.516
211 H LYS 37 H LYS 37 -0.014 3.492 -5.285
212 HA LYS 37 HA LYS 37 0.273 6.150 -6.289
213 HB2 LYS 37 2HB LYS 37 0.849 3.628 -7.235
214 HB3 LYS 37 1HB LYS 37 -0.524 4.091 -8.224
215 HG2 LYS 37 2HG LYS 37 1.997 5.722 -7.919
216 HG3 LYS 37 1HG LYS 37 1.664 4.610 -9.245
217 HD2 LYS 37 2HD LYS 37 -0.290 5.965 -9.878
218 HD3 LYS 37 1HD LYS 37 0.050 7.065 -8.544
219 HE2 LYS 37 2HE LYS 37 2.150 7.702 -9.537
220 HE3 LYS 37 1HE LYS 37 1.959 6.500 -10.811
221 HZ1 LYS 37 3HZ LYS 37 0.230 8.904 -10.415
222 HZ2 LYS 37 1HZ LYS 37 0.012 7.714 -11.593
223 HZ3 LYS 37 2HZ LYS 37 1.382 8.667 -11.624
224 H SER 38 H SER 38 -2.372 4.383 -5.308
225 HA SER 38 HA SER 38 -4.231 6.002 -6.902
226 HB2 SER 38 2HB SER 38 -4.487 3.477 -6.864
227 HB3 SER 38 1HB SER 38 -4.829 3.600 -5.143
228 HG SER 38 HG SER 38 -6.446 3.906 -7.228
229 H TYR 39 H TYR 39 -2.511 6.212 -4.174
230 HA TYR 39 HA TYR 39 -2.548 7.390 -2.290
231 HB2 TYR 39 2HB TYR 39 -4.976 8.719 -3.533
232 HB3 TYR 39 1HB TYR 39 -4.153 9.308 -2.090
233 HD1 TYR 39 1HD TYR 39 -3.805 8.752 -5.719
234 HD2 TYR 39 2HD TYR 39 -2.070 10.492 -2.250
235 HE1 TYR 39 1HE TYR 39 -2.192 9.919 -7.128
236 HE2 TYR 39 2HE TYR 39 -0.447 11.685 -3.660
237 HH TYR 39 HH TYR 39 -0.763 11.874 -7.052
238 H ASN 40 H ASN 40 -4.003 4.882 -2.519
239 HA ASN 40 HA ASN 40 -5.903 5.198 -0.338
240 HB2 ASN 40 2HB ASN 40 -5.653 3.031 -2.410
241 HB3 ASN 40 1HB ASN 40 -6.513 2.749 -0.904
242 HD21 ASN 40 1HD2 ASN 40 -6.645 4.188 -4.041
243 HD22 ASN 40 2HD2 ASN 40 -8.238 4.803 -3.883
244 H SER 41 H SER 41 -5.959 3.551 1.265
245 HA SER 41 HA SER 41 -3.377 2.936 2.347
246 HB2 SER 41 2HB SER 41 -4.979 2.141 4.160
247 HB3 SER 41 1HB SER 41 -4.976 3.873 3.788
248 HG SER 41 HG SER 41 -7.124 2.667 3.852
249 H CYS 42 H CYS 42 -3.334 0.735 3.474
250 HA CYS 42 HA CYS 42 -4.171 -1.228 1.526
251 HB2 CYS 42 2HB CYS 42 -1.917 -1.292 3.512
252 HB3 CYS 42 1HB CYS 42 -2.467 -2.732 2.647
253 H ALA 43 H ALA 43 -6.220 -0.891 2.479
254 HA ALA 43 HA ALA 43 -6.606 -2.591 4.845
255 HB1 ALA 43 1HB ALA 43 -7.584 -0.337 5.036
256 HB2 ALA 43 2HB ALA 43 -8.833 -1.580 5.037
257 HB3 ALA 43 3HB ALA 43 -8.538 -0.629 3.583
258 H GLY 44 H GLY 44 -6.828 -4.630 4.190
259 HA2 GLY 44 2HA GLY 44 -8.330 -6.279 3.283
260 HA3 GLY 44 1HA GLY 44 -8.734 -5.128 2.016
261 H CYS 45 H CYS 45 -5.484 -5.209 2.810
262 HA CYS 45 HA CYS 45 -4.902 -6.482 0.258
263 HB2 CYS 45 2HB CYS 45 -3.136 -4.884 2.099
264 HB3 CYS 45 1HB CYS 45 -2.660 -5.535 0.536
265 H HIS 46 H HIS 46 -2.833 -7.772 0.276
266 HA HIS 46 HA HIS 46 -2.771 -9.434 2.681
267 HB2 HIS 46 2HB HIS 46 -2.472 -10.231 -0.240
268 HB3 HIS 46 1HB HIS 46 -2.064 -11.293 1.101
269 HD1 HIS 46 1HD HIS 46 -3.867 -13.032 1.247
270 HD2 HIS 46 2HD HIS 46 -5.433 -9.279 0.386
271 HE1 HIS 46 1HE HIS 46 -6.345 -13.334 1.186
272 HE2 HIS 46 2HE HIS 46 -7.284 -11.056 0.713
273 H CYS 47 H CYS 47 -1.383 -7.036 1.947
274 HA CYS 47 HA CYS 47 1.270 -7.694 1.154
275 HB2 CYS 47 2HB CYS 47 1.760 -5.309 1.746
276 HB3 CYS 47 1HB CYS 47 0.545 -5.519 0.505
277 H VAL 48 H VAL 48 3.082 -7.616 2.297
278 HA VAL 48 HA VAL 48 2.901 -7.957 5.202
279 HB VAL 48 HB VAL 48 4.709 -9.349 3.187
280 HG11 VAL 48 1HG1 VAL 48 5.611 -10.610 5.073
281 HG12 VAL 48 2HG1 VAL 48 4.646 -9.635 6.183
282 HG13 VAL 48 3HG1 VAL 48 5.929 -8.883 5.236
283 HG21 VAL 48 3HG2 VAL 48 2.455 -10.274 3.230
284 HG22 VAL 48 1HG2 VAL 48 2.553 -10.471 4.978
285 HG23 VAL 48 2HG2 VAL 48 3.605 -11.418 3.925
286 H GLY 49 H GLY 49 4.363 -6.701 6.331
287 HA2 GLY 49 2HA GLY 49 6.013 -5.113 6.720
288 HA3 GLY 49 1HA GLY 49 6.756 -5.621 5.200
289 H CYS 50 H CYS 50 3.562 -4.389 5.809
290 HA CYS 50 HA CYS 50 3.675 -2.687 3.555
291 HB2 CYS 50 2HB CYS 50 1.621 -3.771 3.980
292 HB3 CYS 50 1HB CYS 50 1.603 -3.222 5.651
293 H LYS 51 H LYS 51 4.879 -0.938 3.767
294 HA LYS 51 HA LYS 51 4.224 0.823 6.009
295 HB2 LYS 51 2HB LYS 51 6.398 1.029 3.916
296 HB3 LYS 51 1HB LYS 51 6.118 2.184 5.205
297 HG2 LYS 51 2HG LYS 51 6.928 -0.684 5.568
298 HG3 LYS 51 1HG LYS 51 8.007 0.708 5.649
299 HD2 LYS 51 2HD LYS 51 6.554 1.581 7.515
300 HD3 LYS 51 1HD LYS 51 5.727 0.019 7.500
301 HE2 LYS 51 2HE LYS 51 7.466 0.046 9.197
302 HE3 LYS 51 1HE LYS 51 7.870 -1.099 7.913
303 HZ1 LYS 51 3HZ LYS 51 9.796 0.217 8.486
304 HZ2 LYS 51 1HZ LYS 51 8.954 1.649 8.205
305 HZ3 LYS 51 2HZ LYS 51 9.300 0.623 6.933
306 H ASN 52 H ASN 52 2.217 1.445 5.206
307 HA ASN 52 HA ASN 52 2.364 2.956 2.712
308 HB2 ASN 52 2HB ASN 52 0.704 1.050 2.792
309 HB3 ASN 52 1HB ASN 52 -0.160 1.896 4.055
310 HD21 ASN 52 1HD2 ASN 52 -1.164 1.121 1.515
311 HD22 ASN 52 2HD2 ASN 52 -1.620 2.575 0.694
312 HA PRO 53 HA PRO 53 2.126 6.484 5.581
313 HB2 PRO 53 2HB PRO 53 1.590 7.858 2.986
314 HB3 PRO 53 1HB PRO 53 2.738 8.288 4.257
315 HG2 PRO 53 2HG PRO 53 3.619 7.198 2.015
316 HG3 PRO 53 1HG PRO 53 4.293 6.693 3.573
317 HD2 PRO 53 2HD PRO 53 2.324 5.279 1.825
318 HD3 PRO 53 1HD PRO 53 3.676 4.623 2.766
319 H HIS 54 H HIS 54 -0.111 5.475 3.139
320 HA HIS 54 HA HIS 54 -2.230 7.169 4.117
321 HB2 HIS 54 2HB HIS 54 -2.255 5.052 1.954
322 HB3 HIS 54 1HB HIS 54 -3.633 6.061 2.380
323 HD1 HIS 54 1HD HIS 54 -3.393 8.641 1.809
324 HD2 HIS 54 2HD HIS 54 -0.423 6.188 0.257
325 HE1 HIS 54 1HE HIS 54 -2.263 9.987 0.026
326 HE2 HIS 54 2HE HIS 54 -0.372 8.578 -0.765
327 H LYS 55 H LYS 55 -4.192 6.297 4.926
328 HA LYS 55 HA LYS 55 -4.090 3.683 6.107
329 HB2 LYS 55 2HB LYS 55 -4.234 4.746 8.413
330 HB3 LYS 55 1HB LYS 55 -2.655 4.715 7.636
331 HG2 LYS 55 2HG LYS 55 -3.133 7.046 6.826
332 HG3 LYS 55 1HG LYS 55 -4.518 7.050 7.915
333 HD2 LYS 55 2HD LYS 55 -3.116 6.704 9.796
334 HD3 LYS 55 1HD LYS 55 -1.717 6.448 8.742
335 HE2 LYS 55 2HE LYS 55 -3.274 9.027 9.016
336 HE3 LYS 55 1HE LYS 55 -1.696 8.702 9.732
337 HZ1 LYS 55 3HZ LYS 55 -1.368 9.939 7.741
338 HZ2 LYS 55 1HZ LYS 55 -2.319 8.886 6.825
339 HZ3 LYS 55 2HZ LYS 55 -0.843 8.374 7.430
340 H GLU 56 H GLU 56 -6.065 3.611 7.741
341 HA GLU 56 HA GLU 56 -8.293 4.789 6.343
342 HB2 GLU 56 2HB GLU 56 -8.229 3.031 8.813
343 HB3 GLU 56 1HB GLU 56 -9.688 3.574 7.996
344 HG2 GLU 56 2HG GLU 56 -7.543 1.938 6.748
345 HG3 GLU 56 1HG GLU 56 -9.032 1.252 7.432
346 H ASP 57 H ASP 57 -7.875 6.816 6.657
347 HA ASP 57 HA ASP 57 -8.616 7.986 9.251
348 HB2 ASP 57 2HB ASP 57 -6.053 7.875 8.944
349 HB3 ASP 57 1HB ASP 57 -6.307 9.005 7.615
350 H TYR 58 H TYR 58 -10.142 9.391 8.843
351 HA TYR 58 HA TYR 58 -11.075 9.887 6.249
352 HB2 TYR 58 2HB TYR 58 -12.515 9.838 8.253
353 HB3 TYR 58 1HB TYR 58 -11.780 11.337 8.805
354 HD1 TYR 58 1HD TYR 58 -13.442 9.972 5.764
355 HD2 TYR 58 2HD TYR 58 -12.952 13.284 8.375
356 HE1 TYR 58 1HE TYR 58 -15.122 11.211 4.496
357 HE2 TYR 58 2HE TYR 58 -14.639 14.537 7.105
358 HH TYR 58 HH TYR 58 -15.593 14.549 4.915
359 H VAL 59 H VAL 59 -10.340 11.203 4.813
360 HA VAL 59 HA VAL 59 -8.305 13.054 5.320
361 HB VAL 59 HB VAL 59 -8.396 11.928 3.175
362 HG11 VAL 59 1HG1 VAL 59 -10.039 12.444 1.448
363 HG12 VAL 59 2HG1 VAL 59 -10.922 13.445 2.595
364 HG13 VAL 59 3HG1 VAL 59 -10.788 11.709 2.868
365 HG21 VAL 59 3HG2 VAL 59 -8.753 14.905 2.862
366 HG22 VAL 59 1HG2 VAL 59 -8.056 13.834 1.645
367 HG23 VAL 59 2HG2 VAL 59 -7.248 14.042 3.196
Start of MODEL 20
1 H1 SER 8 1HT SER 8 -19.333 -1.032 1.642
2 H2 SER 8 2HT SER 8 -20.329 0.000 0.752
3 H3 SER 8 3HT SER 8 -19.997 0.327 2.384
4 HA SER 8 HA SER 8 -18.759 1.759 0.984
5 HB2 SER 8 2HB SER 8 -17.135 -0.344 2.418
6 HB3 SER 8 1HB SER 8 -16.617 1.312 2.072
7 HG SER 8 HG SER 8 -17.620 0.708 4.235
8 HA PRO 9 HA PRO 9 -17.346 -0.008 -2.847
9 HB2 PRO 9 2HB PRO 9 -15.660 1.984 -3.628
10 HB3 PRO 9 1HB PRO 9 -17.419 2.141 -3.712
11 HG2 PRO 9 2HG PRO 9 -15.526 3.176 -1.643
12 HG3 PRO 9 1HG PRO 9 -16.913 3.986 -2.397
13 HD2 PRO 9 2HD PRO 9 -17.044 2.869 0.061
14 HD3 PRO 9 1HD PRO 9 -18.434 2.914 -1.044
15 HA PRO 10 HA PRO 10 -13.551 -1.941 -1.546
16 HB2 PRO 10 2HB PRO 10 -12.912 -3.211 -3.855
17 HB3 PRO 10 1HB PRO 10 -14.198 -3.775 -2.782
18 HG2 PRO 10 2HG PRO 10 -14.404 -2.194 -5.312
19 HG3 PRO 10 1HG PRO 10 -15.421 -3.525 -4.736
20 HD2 PRO 10 2HD PRO 10 -16.138 -0.912 -4.545
21 HD3 PRO 10 1HD PRO 10 -16.676 -2.148 -3.392
22 H LYS 11 H LYS 11 -11.272 -1.817 -1.916
23 HA LYS 11 HA LYS 11 -10.476 0.295 -3.764
24 HB2 LYS 11 2HB LYS 11 -8.923 1.121 -2.025
25 HB3 LYS 11 1HB LYS 11 -10.603 1.216 -1.538
26 HG2 LYS 11 2HG LYS 11 -10.296 -0.803 -0.171
27 HG3 LYS 11 1HG LYS 11 -8.589 -0.839 -0.626
28 HD2 LYS 11 2HD LYS 11 -8.829 0.206 1.551
29 HD3 LYS 11 1HD LYS 11 -8.336 1.424 0.377
30 HE2 LYS 11 2HE LYS 11 -10.679 2.160 0.167
31 HE3 LYS 11 1HE LYS 11 -11.156 0.953 1.356
32 HZ1 LYS 11 3HZ LYS 11 -10.963 3.127 2.277
33 HZ2 LYS 11 1HZ LYS 11 -9.349 3.257 1.821
34 HZ3 LYS 11 2HZ LYS 11 -9.817 2.131 3.004
35 HA PRO 12 HA PRO 12 -7.213 -2.228 -5.311
36 HB2 PRO 12 2HB PRO 12 -5.164 -0.392 -4.185
37 HB3 PRO 12 1HB PRO 12 -5.362 -0.981 -5.838
38 HG2 PRO 12 2HG PRO 12 -6.059 1.503 -5.228
39 HG3 PRO 12 1HG PRO 12 -7.051 0.527 -6.325
40 HD2 PRO 12 2HD PRO 12 -7.518 1.207 -3.454
41 HD3 PRO 12 1HD PRO 12 -8.679 1.091 -4.782
42 H LYS 13 H LYS 13 -5.754 -3.787 -4.762
43 HA LYS 13 HA LYS 13 -4.946 -4.005 -1.985
44 HB2 LYS 13 2HB LYS 13 -5.442 -6.447 -1.988
45 HB3 LYS 13 1HB LYS 13 -6.882 -5.464 -2.043
46 HG2 LYS 13 2HG LYS 13 -5.657 -6.751 -4.489
47 HG3 LYS 13 1HG LYS 13 -6.864 -7.548 -3.486
48 HD2 LYS 13 2HD LYS 13 -7.281 -4.888 -4.861
49 HD3 LYS 13 1HD LYS 13 -7.799 -6.433 -5.531
50 HE2 LYS 13 2HE LYS 13 -9.287 -6.790 -3.657
51 HE3 LYS 13 1HE LYS 13 -8.672 -5.348 -2.856
52 HZ1 LYS 13 3HZ LYS 13 -9.996 -5.240 -5.487
53 HZ2 LYS 13 1HZ LYS 13 -9.668 -3.968 -4.427
54 HZ3 LYS 13 2HZ LYS 13 -10.849 -5.122 -4.040
55 H CYS 14 H CYS 14 -3.110 -5.309 -1.682
56 HA CYS 14 HA CYS 14 -1.611 -5.975 -4.061
57 HB2 CYS 14 2HB CYS 14 0.329 -4.608 -3.269
58 HB3 CYS 14 1HB CYS 14 -1.070 -3.651 -3.704
59 H ARG 15 H ARG 15 0.495 -6.988 -3.371
60 HA ARG 15 HA ARG 15 0.136 -8.593 -0.911
61 HB2 ARG 15 2HB ARG 15 1.130 -9.500 -3.627
62 HB3 ARG 15 1HB ARG 15 1.036 -10.512 -2.190
63 HG2 ARG 15 2HG ARG 15 -1.354 -10.371 -2.173
64 HG3 ARG 15 1HG ARG 15 -1.332 -9.179 -3.471
65 HD2 ARG 15 2HD ARG 15 -0.342 -10.897 -4.951
66 HD3 ARG 15 1HD ARG 15 -0.499 -12.066 -3.648
67 HE ARG 15 HE ARG 15 -2.885 -11.756 -3.729
68 HH11 ARG 15 1HH1 ARG 15 -1.072 -10.634 -6.567
69 HH12 ARG 15 2HH1 ARG 15 -2.435 -10.623 -7.580
70 HH21 ARG 15 1HH2 ARG 15 -4.713 -11.741 -5.119
71 HH22 ARG 15 2HH2 ARG 15 -4.560 -11.279 -6.759
72 H CYS 16 H CYS 16 1.650 -6.179 -1.601
73 HA CYS 16 HA CYS 16 4.377 -6.544 -2.004
74 HB2 CYS 16 2HB CYS 16 3.064 -4.445 -0.269
75 HB3 CYS 16 1HB CYS 16 4.644 -4.341 -1.036
76 H GLY 17 H GLY 17 5.547 -7.939 -0.810
77 HA2 GLY 17 2HA GLY 17 6.739 -7.809 1.425
78 HA3 GLY 17 1HA GLY 17 5.122 -7.907 2.101
79 H ILE 18 H ILE 18 4.184 -9.856 0.065
80 HA ILE 18 HA ILE 18 4.956 -12.273 1.307
81 HB ILE 18 HB ILE 18 3.845 -11.871 -1.500
82 HG12 ILE 18 2HG1 ILE 18 2.498 -10.717 0.187
83 HG13 ILE 18 1HG1 ILE 18 1.624 -12.055 -0.523
84 HG21 ILE 18 1HG2 ILE 18 3.673 -14.261 0.340
85 HG22 ILE 18 2HG2 ILE 18 4.670 -14.141 -1.108
86 HG23 ILE 18 3HG2 ILE 18 2.911 -14.122 -1.246
87 HD11 ILE 18 3HD1 ILE 18 1.924 -13.368 1.468
88 HD12 ILE 18 1HD1 ILE 18 1.322 -11.775 1.917
89 HD13 ILE 18 2HD1 ILE 18 3.025 -12.163 2.153
90 H SER 19 H SER 19 5.870 -10.691 -1.654
91 HA SER 19 HA SER 19 8.470 -11.962 -1.451
92 HB2 SER 19 2HB SER 19 7.189 -12.738 -3.485
93 HB3 SER 19 1HB SER 19 7.057 -11.058 -3.997
94 HG SER 19 HG SER 19 9.494 -12.427 -3.547
95 H GLY 20 H GLY 20 9.140 -10.284 -0.135
96 HA2 GLY 20 2HA GLY 20 9.345 -7.695 -1.457
97 HA3 GLY 20 1HA GLY 20 8.555 -7.772 0.109
98 H SER 21 H SER 21 11.335 -9.682 -0.902
99 HA SER 21 HA SER 21 12.834 -8.544 1.273
100 HB2 SER 21 2HB SER 21 13.738 -10.443 -0.915
101 HB3 SER 21 1HB SER 21 14.566 -10.124 0.614
102 HG SER 21 HG SER 21 12.456 -10.802 1.563
103 H SER 22 H SER 22 12.614 -8.366 -2.205
104 HA SER 22 HA SER 22 14.431 -6.126 -2.306
105 HB2 SER 22 2HB SER 22 12.473 -7.193 -4.383
106 HB3 SER 22 1HB SER 22 13.829 -6.099 -4.675
107 HG SER 22 HG SER 22 14.734 -8.269 -3.443
108 H ASN 23 H ASN 23 13.669 -4.292 -1.427
109 HA ASN 23 HA ASN 23 12.373 -2.573 -0.795
110 HB2 ASN 23 2HB ASN 23 10.263 -3.711 -2.664
111 HB3 ASN 23 1HB ASN 23 10.029 -2.246 -1.721
112 HD21 ASN 23 1HD2 ASN 23 10.063 -2.725 -4.594
113 HD22 ASN 23 2HD2 ASN 23 11.250 -1.642 -5.227
114 H THR 24 H THR 24 12.489 -3.419 1.262
115 HA THR 24 HA THR 24 10.125 -4.910 2.165
116 HB THR 24 HB THR 24 12.654 -4.401 3.759
117 HG1 THR 24 1HG THR 24 12.005 -6.354 1.813
118 HG21 THR 24 3HG2 THR 24 10.558 -6.581 3.839
119 HG22 THR 24 1HG2 THR 24 10.705 -5.254 4.988
120 HG23 THR 24 2HG2 THR 24 11.974 -6.479 4.877
121 H LEU 25 H LEU 25 11.640 -1.842 2.292
122 HA LEU 25 HA LEU 25 9.884 -0.979 4.474
123 HB2 LEU 25 2HB LEU 25 12.347 0.379 3.342
124 HB3 LEU 25 1HB LEU 25 11.288 1.102 4.524
125 HG LEU 25 HG LEU 25 11.905 -0.826 6.069
126 HD11 LEU 25 1HD1 LEU 25 14.015 -1.971 5.662
127 HD12 LEU 25 2HD1 LEU 25 14.109 -1.236 4.063
128 HD13 LEU 25 3HD1 LEU 25 12.808 -2.369 4.438
129 HD21 LEU 25 3HD2 LEU 25 14.015 0.222 6.742
130 HD22 LEU 25 1HD2 LEU 25 12.767 1.413 6.369
131 HD23 LEU 25 2HD2 LEU 25 14.058 1.094 5.208
132 H THR 26 H THR 26 10.879 -0.341 1.200
133 HA THR 26 HA THR 26 8.785 1.661 0.908
134 HB THR 26 HB THR 26 10.731 0.766 -1.239
135 HG1 THR 26 1HG THR 26 12.288 1.749 -0.202
136 HG21 THR 26 3HG2 THR 26 8.904 2.346 -1.859
137 HG22 THR 26 1HG2 THR 26 10.498 3.092 -1.993
138 HG23 THR 26 2HG2 THR 26 9.471 3.455 -0.609
139 H THR 27 H THR 27 8.171 -1.209 1.350
140 HA THR 27 HA THR 27 7.587 -2.790 -0.816
141 HB THR 27 HB THR 27 5.585 -2.877 1.225
142 HG1 THR 27 1HG THR 27 7.110 -3.019 3.031
143 HG21 THR 27 3HG2 THR 27 6.465 -4.851 0.043
144 HG22 THR 27 1HG2 THR 27 6.671 -5.016 1.781
145 HG23 THR 27 2HG2 THR 27 8.053 -4.588 0.769
146 H CYS 28 H CYS 28 5.274 -0.958 1.090
147 HA CYS 28 HA CYS 28 3.544 -0.739 -1.183
148 HB2 CYS 28 2HB CYS 28 3.045 -0.328 1.739
149 HB3 CYS 28 1HB CYS 28 1.862 0.127 0.502
150 H ARG 29 H ARG 29 5.945 1.080 -0.053
151 HA ARG 29 HA ARG 29 4.527 3.600 -0.435
152 HB2 ARG 29 2HB ARG 29 5.956 3.281 1.598
153 HB3 ARG 29 1HB ARG 29 7.361 3.231 0.546
154 HG2 ARG 29 2HG ARG 29 6.938 5.499 -0.181
155 HG3 ARG 29 1HG ARG 29 5.474 5.562 0.791
156 HD2 ARG 29 2HD ARG 29 6.842 5.221 2.810
157 HD3 ARG 29 1HD ARG 29 8.292 5.261 1.806
158 HE ARG 29 HE ARG 29 6.891 7.538 1.195
159 HH11 ARG 29 1HH1 ARG 29 8.420 6.246 4.114
160 HH12 ARG 29 2HH1 ARG 29 8.709 7.789 4.778
161 HH21 ARG 29 1HH2 ARG 29 7.279 9.596 2.104
162 HH22 ARG 29 2HH2 ARG 29 8.067 9.753 3.601
163 H ASN 30 H ASN 30 6.081 1.556 -2.420
164 HA ASN 30 HA ASN 30 7.413 3.672 -3.917
165 HB2 ASN 30 2HB ASN 30 8.273 1.983 -5.456
166 HB3 ASN 30 1HB ASN 30 8.542 1.426 -3.821
167 HD21 ASN 30 1HD2 ASN 30 7.493 -0.377 -3.108
168 HD22 ASN 30 2HD2 ASN 30 6.574 -1.409 -4.137
169 H SER 31 H SER 31 6.909 3.902 -6.315
170 HA SER 31 HA SER 31 4.162 4.553 -6.449
171 HB2 SER 31 2HB SER 31 4.971 5.260 -8.814
172 HB3 SER 31 1HB SER 31 5.578 6.116 -7.394
173 HG SER 31 HG SER 31 6.920 4.600 -9.197
174 H ARG 32 H ARG 32 5.563 1.580 -6.974
175 HA ARG 32 HA ARG 32 3.687 0.961 -9.099
176 HB2 ARG 32 2HB ARG 32 5.976 -0.651 -7.980
177 HB3 ARG 32 1HB ARG 32 4.871 -1.222 -9.222
178 HG2 ARG 32 2HG ARG 32 5.597 0.580 -10.697
179 HG3 ARG 32 1HG ARG 32 6.707 1.149 -9.455
180 HD2 ARG 32 2HD ARG 32 6.767 -1.589 -10.692
181 HD3 ARG 32 1HD ARG 32 7.823 -0.255 -11.162
182 HE ARG 32 HE ARG 32 8.440 -0.319 -8.684
183 HH11 ARG 32 1HH1 ARG 32 7.661 -3.226 -10.574
184 HH12 ARG 32 2HH1 ARG 32 8.734 -4.215 -9.697
185 HH21 ARG 32 1HH2 ARG 32 9.964 -1.700 -7.563
186 HH22 ARG 32 2HH2 ARG 32 10.078 -3.344 -8.003
187 H CYS 33 H CYS 33 3.578 1.189 -5.868
188 HA CYS 33 HA CYS 33 2.070 -1.230 -5.455
189 HB2 CYS 33 2HB CYS 33 3.407 -0.294 -3.577
190 HB3 CYS 33 1HB CYS 33 2.470 1.189 -3.654
191 HA PRO 34 HA PRO 34 -1.368 0.672 -7.510
192 HB2 PRO 34 2HB PRO 34 -3.300 -1.068 -6.501
193 HB3 PRO 34 1HB PRO 34 -2.330 -1.349 -7.950
194 HG2 PRO 34 2HG PRO 34 -1.957 -2.363 -5.178
195 HG3 PRO 34 1HG PRO 34 -1.674 -3.190 -6.718
196 HD2 PRO 34 2HD PRO 34 0.342 -2.238 -5.245
197 HD3 PRO 34 1HD PRO 34 0.393 -2.177 -7.023
198 H CYS 35 H CYS 35 -1.463 -0.075 -4.117
199 HA CYS 35 HA CYS 35 -3.759 1.464 -3.447
200 HB2 CYS 35 2HB CYS 35 -1.440 0.545 -1.792
201 HB3 CYS 35 1HB CYS 35 -2.903 1.265 -1.136
202 H TYR 36 H TYR 36 -0.333 2.033 -2.999
203 HA TYR 36 HA TYR 36 -0.348 4.537 -1.831
204 HB2 TYR 36 2HB TYR 36 1.617 3.036 -2.043
205 HB3 TYR 36 1HB TYR 36 1.705 3.433 -3.753
206 HD1 TYR 36 1HD TYR 36 1.950 4.866 -0.358
207 HD2 TYR 36 2HD TYR 36 2.865 5.365 -4.477
208 HE1 TYR 36 1HE TYR 36 3.380 6.789 0.196
209 HE2 TYR 36 2HE TYR 36 4.300 7.290 -3.923
210 HH TYR 36 HH TYR 36 4.466 8.921 -2.151
211 H LYS 37 H LYS 37 -0.065 3.795 -5.310
212 HA LYS 37 HA LYS 37 0.009 6.531 -6.024
213 HB2 LYS 37 2HB LYS 37 0.417 4.062 -7.305
214 HB3 LYS 37 1HB LYS 37 -0.836 4.877 -8.229
215 HG2 LYS 37 2HG LYS 37 1.869 6.076 -7.566
216 HG3 LYS 37 1HG LYS 37 1.545 5.175 -9.034
217 HD2 LYS 37 2HD LYS 37 1.419 7.474 -9.640
218 HD3 LYS 37 1HD LYS 37 -0.245 6.925 -9.551
219 HE2 LYS 37 2HE LYS 37 -0.466 7.969 -7.337
220 HE3 LYS 37 1HE LYS 37 1.225 8.475 -7.418
221 HZ1 LYS 37 3HZ LYS 37 -0.874 9.318 -9.333
222 HZ2 LYS 37 1HZ LYS 37 0.681 9.927 -9.251
223 HZ3 LYS 37 2HZ LYS 37 -0.421 10.237 -8.011
224 H SER 38 H SER 38 -2.571 4.265 -5.510
225 HA SER 38 HA SER 38 -4.550 5.927 -6.793
226 HB2 SER 38 2HB SER 38 -4.742 3.448 -6.816
227 HB3 SER 38 1HB SER 38 -4.859 3.454 -5.062
228 HG SER 38 HG SER 38 -6.651 4.768 -6.806
229 H TYR 39 H TYR 39 -2.854 6.065 -3.989
230 HA TYR 39 HA TYR 39 -2.903 7.319 -2.146
231 HB2 TYR 39 2HB TYR 39 -5.451 8.544 -3.250
232 HB3 TYR 39 1HB TYR 39 -4.443 9.224 -1.971
233 HD1 TYR 39 2HD TYR 39 -1.883 9.479 -2.704
234 HD2 TYR 39 1HD TYR 39 -5.170 9.407 -5.384
235 HE1 TYR 39 2HE TYR 39 -0.513 10.602 -4.384
236 HE2 TYR 39 1HE TYR 39 -3.802 10.525 -7.092
237 HH TYR 39 HH TYR 39 -1.824 11.945 -7.197
238 H ASN 40 H ASN 40 -4.307 4.775 -2.411
239 HA ASN 40 HA ASN 40 -6.379 4.989 -0.368
240 HB2 ASN 40 2HB ASN 40 -5.806 2.932 -2.451
241 HB3 ASN 40 1HB ASN 40 -6.612 2.435 -0.971
242 HD21 ASN 40 1HD2 ASN 40 -6.952 4.149 -4.001
243 HD22 ASN 40 2HD2 ASN 40 -8.615 4.461 -3.803
244 H SER 41 H SER 41 -6.510 3.213 1.191
245 HA SER 41 HA SER 41 -4.000 2.886 2.520
246 HB2 SER 41 2HB SER 41 -5.637 1.976 4.262
247 HB3 SER 41 1HB SER 41 -5.788 3.687 3.849
248 HG SER 41 HG SER 41 -7.779 2.182 3.848
249 H CYS 42 H CYS 42 -3.621 0.669 3.497
250 HA CYS 42 HA CYS 42 -4.283 -1.326 1.517
251 HB2 CYS 42 2HB CYS 42 -2.105 -1.292 3.600
252 HB3 CYS 42 1HB CYS 42 -2.523 -2.739 2.686
253 H ALA 43 H ALA 43 -6.347 -1.175 2.303
254 HA ALA 43 HA ALA 43 -6.853 -2.935 4.599
255 HB1 ALA 43 1HB ALA 43 -7.884 -0.715 4.805
256 HB2 ALA 43 2HB ALA 43 -9.108 -1.972 4.632
257 HB3 ALA 43 3HB ALA 43 -8.699 -0.950 3.260
258 H GLY 44 H GLY 44 -7.190 -4.916 3.967
259 HA2 GLY 44 2HA GLY 44 -8.484 -6.565 2.870
260 HA3 GLY 44 1HA GLY 44 -8.835 -5.398 1.594
261 H CYS 45 H CYS 45 -5.662 -5.399 2.665
262 HA CYS 45 HA CYS 45 -4.759 -6.548 0.137
263 HB2 CYS 45 2HB CYS 45 -3.280 -4.965 2.227
264 HB3 CYS 45 1HB CYS 45 -2.584 -5.565 0.729
265 H HIS 46 H HIS 46 -2.665 -7.754 0.274
266 HA HIS 46 HA HIS 46 -2.711 -9.595 2.567
267 HB2 HIS 46 2HB HIS 46 -3.417 -10.334 0.080
268 HB3 HIS 46 1HB HIS 46 -1.677 -10.374 -0.132
269 HD1 HIS 46 1HD HIS 46 -4.501 -12.271 1.258
270 HD2 HIS 46 2HD HIS 46 -0.368 -12.367 1.448
271 HE1 HIS 46 1HE HIS 46 -3.923 -14.501 2.213
272 HE2 HIS 46 2HE HIS 46 -1.423 -14.616 1.978
273 H CYS 47 H CYS 47 -1.331 -7.057 2.059
274 HA CYS 47 HA CYS 47 1.393 -7.720 1.427
275 HB2 CYS 47 2HB CYS 47 1.859 -5.309 1.919
276 HB3 CYS 47 1HB CYS 47 0.727 -5.570 0.614
277 H VAL 48 H VAL 48 3.154 -7.577 2.762
278 HA VAL 48 HA VAL 48 2.644 -7.744 5.649
279 HB VAL 48 HB VAL 48 4.411 -9.658 4.065
280 HG11 VAL 48 1HG1 VAL 48 4.698 -10.873 6.157
281 HG12 VAL 48 2HG1 VAL 48 3.703 -9.689 6.995
282 HG13 VAL 48 3HG1 VAL 48 5.259 -9.208 6.315
283 HG21 VAL 48 3HG2 VAL 48 1.760 -10.199 5.414
284 HG22 VAL 48 1HG2 VAL 48 2.799 -11.419 4.678
285 HG23 VAL 48 2HG2 VAL 48 2.059 -10.169 3.680
286 H GLY 49 H GLY 49 3.922 -6.267 6.577
287 HA2 GLY 49 2HA GLY 49 5.914 -5.063 6.989
288 HA3 GLY 49 1HA GLY 49 6.592 -5.737 5.503
289 H CYS 50 H CYS 50 3.531 -4.219 5.990
290 HA CYS 50 HA CYS 50 3.810 -2.641 3.632
291 HB2 CYS 50 2HB CYS 50 1.726 -3.658 3.928
292 HB3 CYS 50 1HB CYS 50 1.626 -3.150 5.607
293 H LYS 51 H LYS 51 5.050 -0.845 3.861
294 HA LYS 51 HA LYS 51 4.170 0.972 5.981
295 HB2 LYS 51 2HB LYS 51 6.614 1.105 4.196
296 HB3 LYS 51 1HB LYS 51 6.207 2.292 5.416
297 HG2 LYS 51 2HG LYS 51 6.419 0.522 7.136
298 HG3 LYS 51 1HG LYS 51 6.952 -0.586 5.871
299 HD2 LYS 51 2HD LYS 51 8.831 0.909 5.363
300 HD3 LYS 51 1HD LYS 51 8.281 2.006 6.627
301 HE2 LYS 51 2HE LYS 51 9.203 -0.835 7.015
302 HE3 LYS 51 1HE LYS 51 10.121 0.612 7.413
303 HZ1 LYS 51 3HZ LYS 51 7.606 -0.321 8.671
304 HZ2 LYS 51 1HZ LYS 51 8.291 1.188 8.983
305 HZ3 LYS 51 2HZ LYS 51 9.108 -0.240 9.389
306 H ASN 52 H ASN 52 2.295 1.577 5.017
307 HA ASN 52 HA ASN 52 2.583 3.094 2.547
308 HB2 ASN 52 2HB ASN 52 1.005 1.230 2.285
309 HB3 ASN 52 1HB ASN 52 0.089 1.790 3.675
310 HD21 ASN 52 1HD2 ASN 52 -1.729 1.838 2.292
311 HD22 ASN 52 2HD2 ASN 52 -2.032 3.145 1.213
312 HA PRO 53 HA PRO 53 1.943 6.481 5.438
313 HB2 PRO 53 2HB PRO 53 2.254 8.188 3.094
314 HB3 PRO 53 1HB PRO 53 3.256 8.105 4.540
315 HG2 PRO 53 2HG PRO 53 4.099 7.225 2.122
316 HG3 PRO 53 1HG PRO 53 4.651 6.522 3.647
317 HD2 PRO 53 2HD PRO 53 2.633 5.485 1.699
318 HD3 PRO 53 1HD PRO 53 3.839 4.612 2.677
319 H HIS 54 H HIS 54 0.233 5.594 2.625
320 HA HIS 54 HA HIS 54 -1.738 7.671 2.972
321 HB2 HIS 54 2HB HIS 54 -1.532 5.465 0.935
322 HB3 HIS 54 1HB HIS 54 -2.992 6.434 1.113
323 HD1 HIS 54 1HD HIS 54 -2.841 8.930 0.463
324 HD2 HIS 54 2HD HIS 54 0.611 6.757 -0.239
325 HE1 HIS 54 1HE HIS 54 -1.404 10.403 -0.943
326 HE2 HIS 54 2HE HIS 54 0.787 9.256 -0.852
327 H LYS 55 H LYS 55 -2.925 7.538 4.558
328 HA LYS 55 HA LYS 55 -3.963 4.958 5.473
329 HB2 LYS 55 2HB LYS 55 -4.322 7.686 6.735
330 HB3 LYS 55 1HB LYS 55 -4.546 6.121 7.493
331 HG2 LYS 55 2HG LYS 55 -1.926 7.372 6.675
332 HG3 LYS 55 1HG LYS 55 -2.525 7.149 8.315
333 HD2 LYS 55 2HD LYS 55 -2.428 4.723 8.018
334 HD3 LYS 55 1HD LYS 55 -1.858 4.946 6.362
335 HE2 LYS 55 2HE LYS 55 0.034 4.470 7.797
336 HE3 LYS 55 1HE LYS 55 0.118 6.136 7.244
337 HZ1 LYS 55 3HZ LYS 55 -0.708 6.889 9.323
338 HZ2 LYS 55 1HZ LYS 55 0.617 5.907 9.603
339 HZ3 LYS 55 2HZ LYS 55 -0.939 5.317 9.892
340 H GLU 56 H GLU 56 -6.378 4.961 5.908
341 HA GLU 56 HA GLU 56 -7.576 6.551 3.858
342 HB2 GLU 56 2HB GLU 56 -9.740 5.370 4.462
343 HB3 GLU 56 1HB GLU 56 -8.468 4.390 3.769
344 HG2 GLU 56 2HG GLU 56 -7.922 3.604 6.048
345 HG3 GLU 56 1HG GLU 56 -9.333 4.498 6.638
346 H ASP 57 H ASP 57 -7.248 8.384 4.470
347 HA ASP 57 HA ASP 57 -8.404 9.461 6.945
348 HB2 ASP 57 2HB ASP 57 -5.990 9.799 6.294
349 HB3 ASP 57 1HB ASP 57 -6.551 10.726 4.916
350 H TYR 58 H TYR 58 -8.806 9.125 3.705
351 HA TYR 58 HA TYR 58 -10.153 11.610 3.137
352 HB2 TYR 58 2HB TYR 58 -8.598 10.441 1.536
353 HB3 TYR 58 1HB TYR 58 -9.819 9.192 1.362
354 HD1 TYR 58 1HD TYR 58 -9.182 12.784 0.910
355 HD2 TYR 58 2HD TYR 58 -11.586 9.474 -0.190
356 HE1 TYR 58 1HE TYR 58 -10.191 14.122 -0.876
357 HE2 TYR 58 2HE TYR 58 -12.611 10.813 -1.983
358 HH TYR 58 HH TYR 58 -12.953 13.106 -2.579
359 H VAL 59 H VAL 59 -12.070 11.714 4.056
360 HA VAL 59 HA VAL 59 -14.018 9.688 3.376
361 HB VAL 59 HB VAL 59 -15.091 10.145 5.737
362 HG11 VAL 59 1HG1 VAL 59 -12.564 8.507 5.481
363 HG12 VAL 59 2HG1 VAL 59 -14.187 7.975 5.048
364 HG13 VAL 59 3HG1 VAL 59 -13.790 8.310 6.733
365 HG21 VAL 59 3HG2 VAL 59 -13.552 11.959 6.376
366 HG22 VAL 59 1HG2 VAL 59 -12.200 10.830 6.305
367 HG23 VAL 59 2HG2 VAL 59 -13.466 10.614 7.517