NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
25790 |
2kc6   |
16062 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASN 1 H ASN 1 -9.158 6.752 -3.772
2 HA ASN 1 HA ASN 1 -8.227 6.438 -6.022
3 HB2 ASN 1 1HB ASN 1 -7.282 8.452 -7.162
4 HB3 ASN 1 2HB ASN 1 -9.046 8.505 -7.025
5 HD21 ASN 1 1HD2 ASN 1 -6.182 10.442 -6.427
6 HD22 ASN 1 2HD2 ASN 1 -6.936 11.454 -5.252
7 HA PRO 2 HA PRO 2 -4.892 5.971 -3.433
8 HB2 PRO 2 1HB PRO 2 -3.003 4.650 -4.794
9 HB3 PRO 2 2HB PRO 2 -4.670 4.026 -4.573
10 HG2 PRO 2 1HG PRO 2 -3.665 5.586 -6.966
11 HG3 PRO 2 2HG PRO 2 -4.488 3.979 -6.971
12 HD2 PRO 2 1HD PRO 2 -5.910 6.275 -7.345
13 HD3 PRO 2 2HD PRO 2 -6.571 4.938 -6.354
14 H GLU 3 H GLU 3 -4.570 8.749 -5.068
15 HA GLU 3 HA GLU 3 -1.853 9.166 -3.918
16 HB2 GLU 3 1HB GLU 3 -2.704 10.433 -6.054
17 HB3 GLU 3 2HB GLU 3 -3.654 11.369 -4.885
18 HG2 GLU 3 1HG GLU 3 -1.361 11.614 -3.616
19 HG3 GLU 3 2HG GLU 3 -0.639 11.091 -5.131
20 H ASP 4 H ASP 4 -5.318 9.622 -3.444
21 HA ASP 4 HA ASP 4 -5.304 11.573 -1.443
22 HB2 ASP 4 1HB ASP 4 -7.064 10.622 -3.105
23 HB3 ASP 4 2HB ASP 4 -7.425 9.461 -1.867
24 H TRP 5 H TRP 5 -5.201 7.993 -1.255
25 HA TRP 5 HA TRP 5 -6.258 8.109 1.472
26 HB2 TRP 5 1HB TRP 5 -5.574 5.750 -0.305
27 HB3 TRP 5 2HB TRP 5 -6.315 5.634 1.290
28 HD1 TRP 5 HD TRP 5 -8.626 7.594 1.240
29 HE1 TRP 5 1HE TRP 5 -10.703 7.078 -0.202
30 HE3 TRP 5 3HE TRP 5 -6.411 4.752 -2.327
31 HZ2 TRP 5 2HZ TRP 5 -11.322 5.554 -2.573
32 HZ3 TRP 5 3HZ TRP 5 -7.749 3.749 -4.207
33 HH2 TRP 5 HH TRP 5 -10.218 4.152 -4.311
34 H PHE 6 H PHE 6 -3.355 8.764 0.374
35 HA PHE 6 HA PHE 6 -1.616 6.624 1.316
36 HB2 PHE 6 1HB PHE 6 -1.155 7.990 -0.661
37 HB3 PHE 6 2HB PHE 6 -1.148 9.456 0.311
38 HD1 PHE 6 1HD PHE 6 0.623 6.157 1.003
39 HD2 PHE 6 2HD PHE 6 0.971 10.341 -0.062
40 HE1 PHE 6 1HE PHE 6 3.086 5.982 1.037
41 HE2 PHE 6 2HE PHE 6 3.441 10.124 -0.052
42 HZ PHE 6 HZ PHE 6 4.501 7.951 0.422
43 H THR 7 H THR 7 -0.708 6.440 3.405
44 HA THR 7 HA THR 7 -0.781 8.848 5.142
45 HB THR 7 HB THR 7 -0.992 7.178 7.002
46 HG1 THR 7 1HG THR 7 -2.202 5.312 6.348
47 HG21 THR 7 3HG2 THR 7 -3.320 7.568 5.074
48 HG22 THR 7 1HG2 THR 7 -3.448 7.171 6.800
49 HG23 THR 7 2HG2 THR 7 -2.775 8.726 6.308
50 HA PRO 8 HA PRO 8 3.636 7.787 4.362
51 HB2 PRO 8 1HB PRO 8 4.505 10.391 4.476
52 HB3 PRO 8 2HB PRO 8 3.866 9.623 2.985
53 HG2 PRO 8 1HG PRO 8 2.371 11.291 5.051
54 HG3 PRO 8 2HG PRO 8 2.399 11.536 3.290
55 HD2 PRO 8 1HD PRO 8 0.384 10.243 4.307
56 HD3 PRO 8 2HD PRO 8 1.189 9.520 2.886
57 H ASP 9 H ASP 9 1.925 9.434 7.003
58 HA ASP 9 HA ASP 9 4.014 9.743 8.830
59 HB2 ASP 9 1HB ASP 9 1.069 9.291 9.046
60 HB3 ASP 9 2HB ASP 9 1.976 8.822 10.443
61 H THR 10 H THR 10 2.749 6.762 7.606
62 HA THR 10 HA THR 10 4.595 5.373 9.452
63 HB THR 10 HB THR 10 2.142 5.417 10.145
64 HG1 THR 10 1HG THR 10 3.202 4.109 11.242
65 HG21 THR 10 3HG2 THR 10 0.639 3.806 9.184
66 HG22 THR 10 1HG2 THR 10 1.163 4.967 7.943
67 HG23 THR 10 2HG2 THR 10 1.850 3.326 7.977
68 H CYS 11 H CYS 11 3.802 5.965 6.233
69 HA CYS 11 HA CYS 11 4.827 3.351 5.285
70 HB2 CYS 11 1HB CYS 11 2.829 4.645 4.240
71 HB3 CYS 11 2HB CYS 11 4.010 5.748 3.626
72 H ALA 12 H ALA 12 6.982 3.153 4.766
73 HA ALA 12 HA ALA 12 8.811 5.386 5.269
74 HB1 ALA 12 1HB ALA 12 10.532 3.645 5.059
75 HB2 ALA 12 2HB ALA 12 9.256 3.116 6.165
76 HB3 ALA 12 3HB ALA 12 9.320 2.475 4.505
77 H TYR 13 H TYR 13 7.132 5.871 3.063
78 HA TYR 13 HA TYR 13 8.879 5.695 0.693
79 HB2 TYR 13 1HB TYR 13 5.952 4.881 0.820
80 HB3 TYR 13 2HB TYR 13 6.794 5.309 -0.672
81 HD1 TYR 13 2HD TYR 13 7.348 2.905 2.256
82 HD2 TYR 13 1HD TYR 13 7.584 3.703 -1.956
83 HE1 TYR 13 2HE TYR 13 8.351 0.706 1.922
84 HE2 TYR 13 1HE TYR 13 8.652 1.505 -2.313
85 HH TYR 13 HH TYR 13 8.563 -0.715 -1.195
86 H GLY 14 H GLY 14 8.581 7.610 -0.629
87 HA2 GLY 14 1HA GLY 14 7.085 9.763 0.748
88 HA3 GLY 14 2HA GLY 14 8.400 9.986 -0.404
89 H ASP 15 H ASP 15 6.598 7.644 -1.836
90 HA ASP 15 HA ASP 15 4.922 9.583 -3.361
91 HB2 ASP 15 1HB ASP 15 6.787 7.364 -4.217
92 HB3 ASP 15 2HB ASP 15 5.340 7.692 -5.180
93 H SER 16 H SER 16 2.832 9.037 -3.240
94 HA SER 16 HA SER 16 1.765 6.700 -2.036
95 HB2 SER 16 1HB SER 16 -0.320 7.531 -2.820
96 HB3 SER 16 2HB SER 16 0.667 8.907 -2.340
97 HG SER 16 HG SER 16 -0.299 8.279 -4.792
98 H ASN 17 H ASN 17 3.028 7.341 -5.188
99 HA ASN 17 HA ASN 17 1.781 5.171 -6.703
100 HB2 ASN 17 1HB ASN 17 4.181 7.009 -7.242
101 HB3 ASN 17 2HB ASN 17 3.660 5.703 -8.305
102 HD21 ASN 17 1HD2 ASN 17 2.945 9.015 -7.329
103 HD22 ASN 17 2HD2 ASN 17 1.479 9.150 -8.286
104 H THR 18 H THR 18 5.234 5.789 -5.668
105 HA THR 18 HA THR 18 6.046 3.209 -6.027
106 HB THR 18 HB THR 18 6.998 5.141 -3.893
107 HG1 THR 18 1HG THR 18 8.197 5.188 -6.396
108 HG21 THR 18 3HG2 THR 18 9.191 4.239 -4.213
109 HG22 THR 18 1HG2 THR 18 8.093 2.894 -3.902
110 HG23 THR 18 2HG2 THR 18 8.637 3.187 -5.556
111 H ALA 19 H ALA 19 4.419 4.637 -3.159
112 HA ALA 19 HA ALA 19 4.659 2.444 -1.453
113 HB1 ALA 19 1HB ALA 19 2.744 3.421 -0.243
114 HB2 ALA 19 2HB ALA 19 3.954 4.640 -0.682
115 HB3 ALA 19 3HB ALA 19 2.435 4.517 -1.607
116 H TRP 20 H TRP 20 1.636 3.333 -3.412
117 HA TRP 20 HA TRP 20 0.225 1.021 -3.004
118 HB2 TRP 20 1HB TRP 20 -0.600 3.033 -4.158
119 HB3 TRP 20 2HB TRP 20 0.473 2.728 -5.518
120 HD1 TRP 20 HD TRP 20 -0.121 0.494 -7.025
121 HE1 TRP 20 1HE TRP 20 -2.327 -0.610 -7.553
122 HE3 TRP 20 3HE TRP 20 -2.880 2.331 -3.128
123 HZ2 TRP 20 2HZ TRP 20 -5.103 -0.435 -6.619
124 HZ3 TRP 20 3HZ TRP 20 -5.287 1.832 -2.955
125 HH2 TRP 20 HH TRP 20 -6.428 0.513 -4.742
126 H THR 21 H THR 21 2.717 1.609 -5.538
127 HA THR 21 HA THR 21 2.312 -0.851 -6.846
128 HB THR 21 HB THR 21 4.829 0.841 -6.972
129 HG1 THR 21 1HG THR 21 3.273 2.303 -7.232
130 HG21 THR 21 3HG2 THR 21 4.746 0.209 -9.339
131 HG22 THR 21 1HG2 THR 21 4.768 -1.259 -8.334
132 HG23 THR 21 2HG2 THR 21 3.247 -0.693 -9.083
133 H THR 22 H THR 22 4.565 0.100 -4.158
134 HA THR 22 HA THR 22 5.921 -2.420 -4.026
135 HB THR 22 HB THR 22 5.265 -0.367 -1.858
136 HG1 THR 22 1HG THR 22 6.555 0.435 -3.393
137 HG21 THR 22 3HG2 THR 22 7.373 -2.563 -1.751
138 HG22 THR 22 1HG2 THR 22 6.838 -1.453 -0.448
139 HG23 THR 22 2HG2 THR 22 5.778 -2.725 -0.996
140 H CYS 23 H CYS 23 2.937 -1.177 -2.367
141 HA CYS 23 HA CYS 23 2.328 -3.627 -1.098
142 HB2 CYS 23 1HB CYS 23 0.286 -1.674 -2.118
143 HB3 CYS 23 2HB CYS 23 0.190 -2.731 -0.728
144 H THR 24 H THR 24 1.839 -2.849 -4.513
145 HA THR 24 HA THR 24 0.167 -5.281 -4.724
146 HB THR 24 HB THR 24 -0.569 -4.394 -6.872
147 HG1 THR 24 1HG THR 24 -0.122 -2.229 -7.330
148 HG21 THR 24 3HG2 THR 24 -1.822 -3.799 -4.768
149 HG22 THR 24 1HG2 THR 24 -0.945 -2.273 -4.716
150 HG23 THR 24 2HG2 THR 24 -2.015 -2.639 -6.083
151 H THR 25 H THR 25 3.343 -4.995 -4.611
152 HA THR 25 HA THR 25 3.680 -6.962 -6.788
153 HB THR 25 HB THR 25 5.922 -6.011 -7.223
154 HG1 THR 25 1HG THR 25 4.974 -3.768 -5.809
155 HG21 THR 25 3HG2 THR 25 3.658 -4.029 -7.759
156 HG22 THR 25 1HG2 THR 25 5.240 -4.031 -8.544
157 HG23 THR 25 2HG2 THR 25 4.142 -5.400 -8.772
158 HA PRO 26 HA PRO 26 5.646 -9.177 -3.478
159 HB2 PRO 26 1HB PRO 26 7.562 -10.689 -4.738
160 HB3 PRO 26 2HB PRO 26 5.816 -11.027 -4.845
161 HG2 PRO 26 1HG PRO 26 7.535 -9.526 -6.827
162 HG3 PRO 26 2HG PRO 26 6.322 -10.806 -7.152
163 HD2 PRO 26 1HD PRO 26 5.769 -8.151 -7.415
164 HD3 PRO 26 2HD PRO 26 4.535 -9.294 -6.830
165 H GLY 27 H GLY 27 6.882 -8.173 -2.032
166 HA2 GLY 27 1HA GLY 27 9.655 -7.321 -2.652
167 HA3 GLY 27 2HA GLY 27 8.515 -6.137 -1.959
168 H GLN 28 H GLN 28 9.359 -6.011 0.064
169 HA GLN 28 HA GLN 28 9.326 -8.443 1.768
170 HB2 GLN 28 1HB GLN 28 9.877 -6.786 3.585
171 HB3 GLN 28 2HB GLN 28 11.097 -7.135 2.377
172 HG2 GLN 28 1HG GLN 28 9.418 -4.696 1.851
173 HG3 GLN 28 2HG GLN 28 10.487 -4.642 3.250
174 HE21 GLN 28 1HE2 GLN 28 10.505 -4.023 -0.189
175 HE22 GLN 28 2HE2 GLN 28 12.228 -4.088 -0.309
176 H THR 29 H THR 29 7.140 -6.079 0.566
177 HA THR 29 HA THR 29 5.104 -6.578 2.640
178 HB THR 29 HB THR 29 4.887 -4.159 3.038
179 HG1 THR 29 1HG THR 29 6.017 -3.517 1.137
180 HG21 THR 29 3HG2 THR 29 6.299 -5.581 4.590
181 HG22 THR 29 1HG2 THR 29 7.722 -4.904 3.787
182 HG23 THR 29 2HG2 THR 29 6.592 -3.828 4.621
183 H CYS 30 H CYS 30 4.148 -7.588 0.704
184 HA CYS 30 HA CYS 30 3.233 -5.785 -1.446
185 HB2 CYS 30 1HB CYS 30 3.960 -8.073 -2.009
186 HB3 CYS 30 2HB CYS 30 2.693 -8.755 -1.022
187 H TYR 31 H TYR 31 0.746 -7.744 -0.993
188 HA TYR 31 HA TYR 31 -1.343 -6.351 -0.320
189 HB2 TYR 31 1HB TYR 31 -1.289 -8.791 -0.612
190 HB3 TYR 31 2HB TYR 31 -0.607 -8.988 0.995
191 HD1 TYR 31 2HD TYR 31 -1.966 -8.420 3.042
192 HD2 TYR 31 1HD TYR 31 -3.682 -8.590 -0.916
193 HE1 TYR 31 2HE TYR 31 -4.204 -8.670 4.033
194 HE2 TYR 31 1HE TYR 31 -5.921 -8.865 0.073
195 HH TYR 31 HH TYR 31 -7.133 -9.120 1.972
196 H THR 32 H THR 32 0.831 -7.393 2.357
197 HA THR 32 HA THR 32 -0.744 -6.217 4.402
198 HB THR 32 HB THR 32 2.267 -6.534 4.535
199 HG1 THR 32 1HG THR 32 0.316 -8.587 4.810
200 HG21 THR 32 3HG2 THR 32 1.205 -5.587 6.496
201 HG22 THR 32 1HG2 THR 32 -0.043 -6.831 6.481
202 HG23 THR 32 2HG2 THR 32 1.654 -7.270 6.867
203 H CYS 33 H CYS 33 1.749 -4.746 2.323
204 HA CYS 33 HA CYS 33 2.146 -2.302 3.772
205 HB2 CYS 33 1HB CYS 33 3.739 -2.734 2.200
206 HB3 CYS 33 2HB CYS 33 2.633 -3.318 1.007
207 H CYS 34 H CYS 34 -0.436 -3.428 1.527
208 HA CYS 34 HA CYS 34 -1.818 -1.050 0.997
209 HB2 CYS 34 1HB CYS 34 -2.979 -3.664 1.819
210 HB3 CYS 34 2HB CYS 34 -3.821 -2.365 1.033
211 H SER 35 H SER 35 -1.525 -2.893 3.990
212 HA SER 35 HA SER 35 -3.692 -1.509 5.417
213 HB2 SER 35 1HB SER 35 -2.994 -4.039 5.558
214 HB3 SER 35 2HB SER 35 -1.647 -3.470 6.543
215 HG SER 35 HG SER 35 -4.440 -3.291 6.904
216 H SER 36 H SER 36 -0.118 -1.761 5.354
217 HA SER 36 HA SER 36 0.131 0.080 7.610
218 HB2 SER 36 1HB SER 36 2.329 -1.385 6.137
219 HB3 SER 36 2HB SER 36 2.322 -0.788 7.804
220 HG SER 36 HG SER 36 0.402 -2.390 7.960
221 H CYS 37 H CYS 37 -0.416 0.950 4.574
222 HA CYS 37 HA CYS 37 1.446 3.282 4.649
223 HB2 CYS 37 1HB CYS 37 1.100 1.204 2.491
224 HB3 CYS 37 2HB CYS 37 1.469 2.862 2.037
225 H PHE 38 H PHE 38 -1.801 2.281 4.453
226 HA PHE 38 HA PHE 38 -2.622 4.742 3.100
227 HB2 PHE 38 1HB PHE 38 -3.579 1.946 2.311
228 HB3 PHE 38 2HB PHE 38 -4.333 3.448 1.827
229 HD1 PHE 38 1HD PHE 38 -1.066 1.575 1.572
230 HD2 PHE 38 2HD PHE 38 -3.706 4.507 -0.164
231 HE1 PHE 38 1HE PHE 38 0.570 1.978 -0.261
232 HE2 PHE 38 2HE PHE 38 -2.117 4.763 -2.091
233 HZ PHE 38 HZ PHE 38 0.042 3.637 -2.050
234 H ASP 39 H ASP 39 -4.714 5.374 3.772
235 HA ASP 39 HA ASP 39 -5.720 4.408 6.308
236 HB2 ASP 39 1HB ASP 39 -7.340 5.713 4.101
237 HB3 ASP 39 2HB ASP 39 -7.870 5.437 5.709
238 H VAL 40 H VAL 40 -7.667 3.288 6.596
239 HA VAL 40 HA VAL 40 -8.074 0.840 5.549
240 HB VAL 40 HB VAL 40 -8.992 1.633 7.597
241 HG11 VAL 40 1HG1 VAL 40 -9.487 4.011 7.056
242 HG12 VAL 40 2HG1 VAL 40 -10.836 3.514 6.024
243 HG13 VAL 40 3HG1 VAL 40 -10.881 3.211 7.771
244 HG21 VAL 40 3HG2 VAL 40 -10.225 -0.143 6.278
245 HG22 VAL 40 1HG2 VAL 40 -11.136 0.701 7.550
246 HG23 VAL 40 2HG2 VAL 40 -11.392 1.137 5.845
247 H VAL 41 H VAL 41 -9.302 3.851 4.051
248 HA VAL 41 HA VAL 41 -11.121 2.523 2.242
249 HB VAL 41 HB VAL 41 -9.838 5.218 1.789
250 HG11 VAL 41 1HG1 VAL 41 -12.584 4.028 1.156
251 HG12 VAL 41 2HG1 VAL 41 -12.093 5.685 0.765
252 HG13 VAL 41 3HG1 VAL 41 -11.288 4.299 -0.010
253 HG21 VAL 41 3HG2 VAL 41 -10.583 5.400 4.088
254 HG22 VAL 41 1HG2 VAL 41 -11.703 6.273 3.045
255 HG23 VAL 41 2HG2 VAL 41 -12.153 4.678 3.669
256 H GLY 42 H GLY 42 -7.728 3.621 2.070
257 HA2 GLY 42 1HA GLY 42 -7.354 2.800 -0.705
258 HA3 GLY 42 2HA GLY 42 -6.127 3.382 0.424
259 H GLU 43 H GLU 43 -6.765 1.490 2.582
260 HA GLU 43 HA GLU 43 -5.201 -0.691 1.973
261 HB2 GLU 43 1HB GLU 43 -5.779 -0.148 4.299
262 HB3 GLU 43 2HB GLU 43 -7.467 -0.607 3.996
263 HG2 GLU 43 1HG GLU 43 -6.713 -2.936 3.419
264 HG3 GLU 43 2HG GLU 43 -5.056 -2.475 3.786
265 H GLN 44 H GLN 44 -8.897 -0.787 2.063
266 HA GLN 44 HA GLN 44 -8.931 -3.439 1.158
267 HB2 GLN 44 1HB GLN 44 -10.795 -2.281 2.339
268 HB3 GLN 44 2HB GLN 44 -11.014 -1.211 0.947
269 HG2 GLN 44 1HG GLN 44 -11.409 -3.225 -0.461
270 HG3 GLN 44 2HG GLN 44 -11.353 -4.234 0.972
271 HE21 GLN 44 1HE2 GLN 44 -13.221 -2.092 -1.000
272 HE22 GLN 44 2HE2 GLN 44 -14.687 -2.026 -0.032
273 H ALA 45 H ALA 45 -8.946 -0.312 -0.566
274 HA ALA 45 HA ALA 45 -9.569 -1.483 -3.074
275 HB1 ALA 45 1HB ALA 45 -8.819 0.736 -3.998
276 HB2 ALA 45 2HB ALA 45 -9.813 0.976 -2.529
277 HB3 ALA 45 3HB ALA 45 -8.048 1.117 -2.449
278 H CYS 46 H CYS 46 -6.526 -1.008 -1.365
279 HA CYS 46 HA CYS 46 -4.816 -1.804 -3.586
280 HB2 CYS 46 1HB CYS 46 -4.050 -0.219 -1.956
281 HB3 CYS 46 2HB CYS 46 -4.422 -1.279 -0.624
282 H GLN 47 H GLN 47 -5.721 -3.342 -0.425
283 HA GLN 47 HA GLN 47 -4.699 -5.876 -0.921
284 HB2 GLN 47 1HB GLN 47 -7.112 -5.043 0.742
285 HB3 GLN 47 2HB GLN 47 -6.506 -6.667 0.718
286 HG2 GLN 47 1HG GLN 47 -4.215 -5.758 1.354
287 HG3 GLN 47 2HG GLN 47 -5.020 -4.201 1.597
288 HE21 GLN 47 1HE2 GLN 47 -3.474 -5.691 3.756
289 HE22 GLN 47 2HE2 GLN 47 -4.753 -5.510 4.938
290 H MET 48 H MET 48 -7.608 -4.535 -2.438
291 HA MET 48 HA MET 48 -8.283 -7.206 -3.518
292 HB2 MET 48 1HB MET 48 -10.209 -6.308 -4.358
293 HB3 MET 48 2HB MET 48 -9.953 -5.508 -2.791
294 HG2 MET 48 1HG MET 48 -10.747 -3.827 -4.075
295 HG3 MET 48 2HG MET 48 -9.017 -3.565 -4.045
296 HE1 MET 48 3HE MET 48 -11.054 -6.129 -6.464
297 HE2 MET 48 1HE MET 48 -12.125 -4.765 -6.071
298 HE3 MET 48 2HE MET 48 -11.503 -4.962 -7.726
299 H SER 49 H SER 49 -6.199 -4.775 -4.309
300 HA SER 49 HA SER 49 -5.981 -5.515 -7.180
301 HB2 SER 49 1HB SER 49 -6.524 -3.129 -6.463
302 HB3 SER 49 2HB SER 49 -4.900 -3.049 -5.767
303 HG SER 49 HG SER 49 -4.219 -3.708 -7.975
304 H ALA 50 H ALA 50 -4.516 -6.364 -4.299
305 HA ALA 50 HA ALA 50 -1.735 -6.002 -5.138
306 HB1 ALA 50 1HB ALA 50 -3.040 -6.709 -2.472
307 HB2 ALA 50 2HB ALA 50 -1.285 -6.609 -2.736
308 HB3 ALA 50 3HB ALA 50 -2.293 -5.164 -2.915
309 H GLN 51 H GLN 51 -0.821 -7.629 -6.299
310 HA GLN 51 HA GLN 51 -1.413 -10.438 -5.570
311 HB2 GLN 51 1HB GLN 51 -1.432 -9.237 -8.348
312 HB3 GLN 51 2HB GLN 51 -1.438 -10.964 -7.958
313 HG2 GLN 51 1HG GLN 51 -3.596 -10.636 -6.721
314 HG3 GLN 51 2HG GLN 51 -3.619 -8.946 -7.223
315 HE21 GLN 51 1HE2 GLN 51 -4.389 -8.428 -9.358
316 HE22 GLN 51 2HE2 GLN 51 -5.030 -9.682 -10.382
317 H CYS 52 H CYS 52 0.555 -10.705 -4.527
318 HA CYS 52 HA CYS 52 2.984 -10.744 -6.165
319 HB2 CYS 52 1HB CYS 52 3.757 -11.810 -3.991
320 HB3 CYS 52 2HB CYS 52 3.492 -10.067 -3.946
Start of MODEL 2
1 H1 ASN 1 H ASN 1 -10.182 7.283 -4.624
2 HA ASN 1 HA ASN 1 -8.373 6.151 -5.773
3 HB2 ASN 1 1HB ASN 1 -7.498 8.008 -7.176
4 HB3 ASN 1 2HB ASN 1 -9.241 8.137 -6.931
5 HD21 ASN 1 1HD2 ASN 1 -6.408 10.036 -6.865
6 HD22 ASN 1 2HD2 ASN 1 -6.992 11.241 -5.746
7 HA PRO 2 HA PRO 2 -5.049 5.570 -3.422
8 HB2 PRO 2 1HB PRO 2 -2.916 4.876 -5.000
9 HB3 PRO 2 2HB PRO 2 -4.424 3.920 -4.862
10 HG2 PRO 2 1HG PRO 2 -3.727 5.972 -6.959
11 HG3 PRO 2 2HG PRO 2 -4.313 4.305 -7.211
12 HD2 PRO 2 1HD PRO 2 -6.038 6.374 -7.271
13 HD3 PRO 2 2HD PRO 2 -6.505 4.866 -6.432
14 H GLU 3 H GLU 3 -4.454 8.455 -5.317
15 HA GLU 3 HA GLU 3 -1.978 9.006 -3.837
16 HB2 GLU 3 1HB GLU 3 -2.313 9.680 -6.160
17 HB3 GLU 3 2HB GLU 3 -3.653 10.728 -5.677
18 HG2 GLU 3 1HG GLU 3 -2.132 12.144 -4.412
19 HG3 GLU 3 2HG GLU 3 -0.814 11.007 -4.592
20 H ASP 4 H ASP 4 -5.421 9.419 -3.451
21 HA ASP 4 HA ASP 4 -5.347 11.588 -1.530
22 HB2 ASP 4 1HB ASP 4 -7.235 10.387 -3.174
23 HB3 ASP 4 2HB ASP 4 -7.712 9.737 -1.643
24 H TRP 5 H TRP 5 -5.306 8.071 -1.494
25 HA TRP 5 HA TRP 5 -6.043 7.857 1.308
26 HB2 TRP 5 1HB TRP 5 -5.176 5.776 -0.672
27 HB3 TRP 5 2HB TRP 5 -5.766 5.446 0.956
28 HD1 TRP 5 HD TRP 5 -8.220 7.467 1.044
29 HE1 TRP 5 1HE TRP 5 -10.275 7.070 -0.331
30 HE3 TRP 5 3HE TRP 5 -6.186 4.289 -2.309
31 HZ2 TRP 5 2HZ TRP 5 -11.020 5.364 -2.612
32 HZ3 TRP 5 3HZ TRP 5 -7.569 3.262 -4.162
33 HH2 TRP 5 HH TRP 5 -9.993 3.812 -4.298
34 H PHE 6 H PHE 6 -3.288 8.922 0.025
35 HA PHE 6 HA PHE 6 -1.207 7.165 0.872
36 HB2 PHE 6 1HB PHE 6 -1.007 8.878 -0.896
37 HB3 PHE 6 2HB PHE 6 -1.260 10.152 0.295
38 HD1 PHE 6 1HD PHE 6 0.947 7.126 -0.136
39 HD2 PHE 6 2HD PHE 6 0.705 11.266 1.049
40 HE1 PHE 6 1HE PHE 6 3.382 7.145 0.274
41 HE2 PHE 6 2HE PHE 6 3.148 11.278 1.458
42 HZ PHE 6 HZ PHE 6 4.488 9.203 1.076
43 H THR 7 H THR 7 -0.153 7.029 2.876
44 HA THR 7 HA THR 7 -0.519 9.245 4.778
45 HB THR 7 HB THR 7 -1.076 7.995 6.598
46 HG1 THR 7 1HG THR 7 -0.520 5.652 5.117
47 HG21 THR 7 3HG2 THR 7 -2.700 6.633 4.419
48 HG22 THR 7 1HG2 THR 7 -3.122 6.796 6.124
49 HG23 THR 7 2HG2 THR 7 -3.018 8.239 5.112
50 HA PRO 8 HA PRO 8 3.889 8.309 4.487
51 HB2 PRO 8 1HB PRO 8 4.925 10.619 5.471
52 HB3 PRO 8 2HB PRO 8 4.141 10.540 3.863
53 HG2 PRO 8 1HG PRO 8 2.922 11.465 6.485
54 HG3 PRO 8 2HG PRO 8 2.862 12.256 4.877
55 HD2 PRO 8 1HD PRO 8 0.834 10.671 5.822
56 HD3 PRO 8 2HD PRO 8 1.246 10.777 4.081
57 H ASP 9 H ASP 9 2.088 9.128 7.410
58 HA ASP 9 HA ASP 9 4.143 9.236 9.279
59 HB2 ASP 9 1HB ASP 9 1.218 9.049 9.262
60 HB3 ASP 9 2HB ASP 9 1.853 8.094 10.572
61 H THR 10 H THR 10 2.649 6.466 7.911
62 HA THR 10 HA THR 10 4.116 4.656 9.730
63 HB THR 10 HB THR 10 1.580 4.815 9.595
64 HG1 THR 10 1HG THR 10 1.265 2.759 9.908
65 HG21 THR 10 3HG2 THR 10 0.387 3.797 7.781
66 HG22 THR 10 1HG2 THR 10 1.510 4.953 7.060
67 HG23 THR 10 2HG2 THR 10 1.892 3.221 7.029
68 H CYS 11 H CYS 11 4.537 5.946 6.672
69 HA CYS 11 HA CYS 11 5.292 3.383 5.347
70 HB2 CYS 11 1HB CYS 11 3.027 4.485 4.723
71 HB3 CYS 11 2HB CYS 11 3.981 5.764 4.022
72 H ALA 12 H ALA 12 7.500 3.529 4.945
73 HA ALA 12 HA ALA 12 8.915 6.028 5.132
74 HB1 ALA 12 1HB ALA 12 10.864 4.762 4.443
75 HB2 ALA 12 2HB ALA 12 9.942 3.779 5.593
76 HB3 ALA 12 3HB ALA 12 9.868 3.432 3.841
77 H TYR 13 H TYR 13 7.277 4.368 2.501
78 HA TYR 13 HA TYR 13 8.699 5.610 0.371
79 HB2 TYR 13 1HB TYR 13 5.871 4.500 0.387
80 HB3 TYR 13 2HB TYR 13 6.833 4.834 -1.045
81 HD1 TYR 13 1HD TYR 13 9.523 3.795 -0.242
82 HD2 TYR 13 2HD TYR 13 5.617 2.065 0.371
83 HE1 TYR 13 1HE TYR 13 10.549 1.627 0.007
84 HE2 TYR 13 2HE TYR 13 6.630 -0.173 0.435
85 HH TYR 13 HH TYR 13 8.745 -1.359 0.640
86 H GLY 14 H GLY 14 8.833 7.680 0.050
87 HA2 GLY 14 1HA GLY 14 6.776 9.561 0.966
88 HA3 GLY 14 2HA GLY 14 8.350 9.942 0.268
89 H ASP 15 H ASP 15 5.901 7.707 -1.172
90 HA ASP 15 HA ASP 15 4.950 9.679 -2.975
91 HB2 ASP 15 1HB ASP 15 7.180 8.011 -3.935
92 HB3 ASP 15 2HB ASP 15 5.703 7.705 -4.852
93 H SER 16 H SER 16 2.930 9.121 -3.412
94 HA SER 16 HA SER 16 1.691 6.888 -2.197
95 HB2 SER 16 1HB SER 16 -0.302 7.742 -3.421
96 HB3 SER 16 2HB SER 16 0.562 9.022 -2.562
97 HG SER 16 HG SER 16 1.408 9.810 -4.423
98 H ASN 17 H ASN 17 2.783 7.413 -5.534
99 HA ASN 17 HA ASN 17 1.567 4.952 -6.574
100 HB2 ASN 17 1HB ASN 17 3.758 6.683 -7.784
101 HB3 ASN 17 2HB ASN 17 2.857 5.379 -8.569
102 HD21 ASN 17 1HD2 ASN 17 2.971 8.697 -8.315
103 HD22 ASN 17 2HD2 ASN 17 1.311 9.111 -8.546
104 H THR 18 H THR 18 4.972 5.898 -5.575
105 HA THR 18 HA THR 18 6.017 3.383 -5.950
106 HB THR 18 HB THR 18 6.748 5.349 -3.744
107 HG1 THR 18 1HG THR 18 8.054 6.261 -5.389
108 HG21 THR 18 3HG2 THR 18 9.049 4.531 -4.104
109 HG22 THR 18 1HG2 THR 18 7.992 3.194 -3.628
110 HG23 THR 18 2HG2 THR 18 8.465 3.383 -5.333
111 H ALA 19 H ALA 19 4.287 4.664 -3.075
112 HA ALA 19 HA ALA 19 4.429 2.376 -1.445
113 HB1 ALA 19 1HB ALA 19 3.684 4.554 -0.603
114 HB2 ALA 19 2HB ALA 19 2.249 4.491 -1.637
115 HB3 ALA 19 3HB ALA 19 2.441 3.322 -0.314
116 H TRP 20 H TRP 20 1.562 3.318 -3.493
117 HA TRP 20 HA TRP 20 0.146 0.944 -3.245
118 HB2 TRP 20 1HB TRP 20 -0.755 2.952 -4.303
119 HB3 TRP 20 2HB TRP 20 0.357 2.787 -5.654
120 HD1 TRP 20 HD TRP 20 -0.110 0.713 -7.366
121 HE1 TRP 20 1HE TRP 20 -2.242 -0.593 -7.963
122 HE3 TRP 20 3HE TRP 20 -3.023 2.103 -3.446
123 HZ2 TRP 20 2HZ TRP 20 -4.977 -0.726 -7.014
124 HZ3 TRP 20 3HZ TRP 20 -5.396 1.358 -3.280
125 HH2 TRP 20 HH TRP 20 -6.363 -0.108 -5.085
126 H THR 21 H THR 21 2.646 1.689 -5.717
127 HA THR 21 HA THR 21 2.412 -0.697 -7.163
128 HB THR 21 HB THR 21 4.924 1.004 -6.860
129 HG1 THR 21 1HG THR 21 3.289 2.372 -7.408
130 HG21 THR 21 3HG2 THR 21 3.741 -0.586 -9.160
131 HG22 THR 21 1HG2 THR 21 5.243 0.368 -9.216
132 HG23 THR 21 2HG2 THR 21 5.145 -1.093 -8.190
133 H THR 22 H THR 22 4.670 0.121 -4.373
134 HA THR 22 HA THR 22 5.770 -2.517 -4.289
135 HB THR 22 HB THR 22 5.513 -0.408 -2.108
136 HG1 THR 22 1HG THR 22 6.798 0.223 -3.828
137 HG21 THR 22 3HG2 THR 22 6.969 -3.090 -2.239
138 HG22 THR 22 1HG2 THR 22 7.523 -1.775 -1.193
139 HG23 THR 22 2HG2 THR 22 5.907 -2.464 -0.964
140 H CYS 23 H CYS 23 2.924 -1.099 -2.523
141 HA CYS 23 HA CYS 23 2.292 -3.506 -1.138
142 HB2 CYS 23 1HB CYS 23 0.282 -1.478 -2.113
143 HB3 CYS 23 2HB CYS 23 0.179 -2.557 -0.738
144 H THR 24 H THR 24 2.118 -3.008 -4.542
145 HA THR 24 HA THR 24 0.203 -5.258 -4.755
146 HB THR 24 HB THR 24 -0.558 -4.237 -6.887
147 HG1 THR 24 1HG THR 24 0.731 -1.923 -5.935
148 HG21 THR 24 3HG2 THR 24 -1.934 -2.454 -5.892
149 HG22 THR 24 1HG2 THR 24 -1.880 -3.871 -4.827
150 HG23 THR 24 2HG2 THR 24 -0.922 -2.436 -4.444
151 H THR 25 H THR 25 3.378 -5.009 -4.781
152 HA THR 25 HA THR 25 3.618 -6.879 -7.052
153 HB THR 25 HB THR 25 5.855 -5.814 -7.593
154 HG1 THR 25 1HG THR 25 4.708 -3.715 -6.087
155 HG21 THR 25 3HG2 THR 25 3.827 -5.348 -9.004
156 HG22 THR 25 1HG2 THR 25 3.487 -3.915 -8.006
157 HG23 THR 25 2HG2 THR 25 4.972 -3.995 -8.953
158 HA PRO 26 HA PRO 26 5.451 -9.283 -3.984
159 HB2 PRO 26 1HB PRO 26 7.364 -10.799 -5.198
160 HB3 PRO 26 2HB PRO 26 5.609 -11.038 -5.397
161 HG2 PRO 26 1HG PRO 26 7.497 -9.574 -7.251
162 HG3 PRO 26 2HG PRO 26 6.186 -10.716 -7.680
163 HD2 PRO 26 1HD PRO 26 5.863 -8.014 -7.818
164 HD3 PRO 26 2HD PRO 26 4.524 -9.087 -7.318
165 H GLY 27 H GLY 27 6.390 -8.123 -2.505
166 HA2 GLY 27 1HA GLY 27 9.266 -8.295 -2.229
167 HA3 GLY 27 2HA GLY 27 8.682 -6.624 -2.179
168 H GLN 28 H GLN 28 9.724 -7.155 -0.044
169 HA GLN 28 HA GLN 28 9.042 -8.224 2.217
170 HB2 GLN 28 1HB GLN 28 9.598 -6.055 3.289
171 HB3 GLN 28 2HB GLN 28 10.660 -6.458 1.960
172 HG2 GLN 28 1HG GLN 28 8.688 -4.887 0.698
173 HG3 GLN 28 2HG GLN 28 8.836 -4.162 2.286
174 HE21 GLN 28 1HE2 GLN 28 10.926 -5.387 -0.462
175 HE22 GLN 28 2HE2 GLN 28 11.985 -4.025 -0.386
176 H THR 29 H THR 29 6.893 -5.718 0.788
177 HA THR 29 HA THR 29 4.729 -6.288 2.734
178 HB THR 29 HB THR 29 4.626 -3.927 3.297
179 HG1 THR 29 1HG THR 29 5.713 -3.261 1.340
180 HG21 THR 29 3HG2 THR 29 7.396 -4.976 3.924
181 HG22 THR 29 1HG2 THR 29 6.576 -3.642 4.703
182 HG23 THR 29 2HG2 THR 29 5.906 -5.278 4.840
183 H CYS 30 H CYS 30 3.862 -7.267 0.800
184 HA CYS 30 HA CYS 30 3.055 -5.499 -1.440
185 HB2 CYS 30 1HB CYS 30 3.915 -7.739 -2.007
186 HB3 CYS 30 2HB CYS 30 2.609 -8.466 -1.075
187 H TYR 31 H TYR 31 0.624 -7.590 -1.088
188 HA TYR 31 HA TYR 31 -1.522 -6.268 -0.292
189 HB2 TYR 31 1HB TYR 31 -1.370 -8.668 -0.792
190 HB3 TYR 31 2HB TYR 31 -0.675 -8.989 0.786
191 HD1 TYR 31 2HD TYR 31 -2.093 -8.504 2.875
192 HD2 TYR 31 1HD TYR 31 -3.738 -8.728 -1.110
193 HE1 TYR 31 2HE TYR 31 -4.311 -8.886 3.822
194 HE2 TYR 31 1HE TYR 31 -5.980 -9.052 -0.178
195 HH TYR 31 HH TYR 31 -6.608 -9.078 3.360
196 H THR 32 H THR 32 0.729 -7.439 2.256
197 HA THR 32 HA THR 32 -0.903 -6.369 4.309
198 HB THR 32 HB THR 32 2.064 -6.730 4.664
199 HG1 THR 32 1HG THR 32 0.201 -8.895 4.381
200 HG21 THR 32 3HG2 THR 32 0.455 -6.099 6.480
201 HG22 THR 32 1HG2 THR 32 -0.417 -7.607 6.213
202 HG23 THR 32 2HG2 THR 32 1.304 -7.631 6.776
203 H CYS 33 H CYS 33 1.588 -4.790 2.334
204 HA CYS 33 HA CYS 33 1.997 -2.385 3.817
205 HB2 CYS 33 1HB CYS 33 3.487 -2.915 2.120
206 HB3 CYS 33 2HB CYS 33 2.253 -3.164 0.929
207 H CYS 34 H CYS 34 -0.603 -3.458 1.615
208 HA CYS 34 HA CYS 34 -2.020 -1.129 1.118
209 HB2 CYS 34 1HB CYS 34 -3.178 -3.715 2.020
210 HB3 CYS 34 2HB CYS 34 -3.996 -2.414 1.188
211 H SER 35 H SER 35 -1.654 -2.898 4.139
212 HA SER 35 HA SER 35 -3.613 -1.218 5.637
213 HB2 SER 35 1HB SER 35 -3.725 -3.001 7.236
214 HB3 SER 35 2HB SER 35 -3.874 -3.676 5.606
215 HG SER 35 HG SER 35 -1.412 -3.978 5.931
216 H SER 36 H SER 36 -0.459 -1.156 4.982
217 HA SER 36 HA SER 36 0.400 -0.049 7.625
218 HB2 SER 36 1HB SER 36 2.109 -1.805 5.838
219 HB3 SER 36 2HB SER 36 2.410 -1.338 7.515
220 HG SER 36 HG SER 36 1.428 -3.515 6.761
221 H CYS 37 H CYS 37 -0.518 1.306 5.251
222 HA CYS 37 HA CYS 37 1.523 3.181 4.781
223 HB2 CYS 37 1HB CYS 37 1.065 1.134 2.618
224 HB3 CYS 37 2HB CYS 37 1.307 2.814 2.136
225 H PHE 38 H PHE 38 -1.707 1.846 3.750
226 HA PHE 38 HA PHE 38 -2.523 4.660 3.094
227 HB2 PHE 38 1HB PHE 38 -3.270 1.975 1.906
228 HB3 PHE 38 2HB PHE 38 -4.357 3.340 1.838
229 HD1 PHE 38 1HD PHE 38 -0.702 4.080 1.459
230 HD2 PHE 38 2HD PHE 38 -4.400 3.192 -0.579
231 HE1 PHE 38 1HE PHE 38 0.254 4.914 -0.599
232 HE2 PHE 38 2HE PHE 38 -3.431 4.112 -2.646
233 HZ PHE 38 HZ PHE 38 -1.097 4.953 -2.693
234 H ASP 39 H ASP 39 -4.619 5.296 3.674
235 HA ASP 39 HA ASP 39 -5.608 4.457 6.247
236 HB2 ASP 39 1HB ASP 39 -7.277 5.622 3.993
237 HB3 ASP 39 2HB ASP 39 -7.654 5.666 5.702
238 H VAL 40 H VAL 40 -7.675 3.421 6.653
239 HA VAL 40 HA VAL 40 -8.150 0.982 5.653
240 HB VAL 40 HB VAL 40 -9.107 1.876 7.649
241 HG11 VAL 40 1HG1 VAL 40 -9.598 4.208 6.954
242 HG12 VAL 40 2HG1 VAL 40 -10.929 3.638 5.955
243 HG13 VAL 40 3HG1 VAL 40 -10.989 3.434 7.717
244 HG21 VAL 40 3HG2 VAL 40 -11.373 0.995 7.515
245 HG22 VAL 40 1HG2 VAL 40 -11.316 1.066 5.730
246 HG23 VAL 40 2HG2 VAL 40 -10.232 -0.021 6.615
247 H VAL 41 H VAL 41 -9.413 4.003 4.172
248 HA VAL 41 HA VAL 41 -11.199 2.709 2.365
249 HB VAL 41 HB VAL 41 -9.947 5.473 2.013
250 HG11 VAL 41 1HG1 VAL 41 -11.416 4.659 0.164
251 HG12 VAL 41 2HG1 VAL 41 -12.717 4.345 1.328
252 HG13 VAL 41 3HG1 VAL 41 -12.161 6.010 1.026
253 HG21 VAL 41 3HG2 VAL 41 -11.979 6.266 3.367
254 HG22 VAL 41 1HG2 VAL 41 -12.218 4.599 3.868
255 HG23 VAL 41 2HG2 VAL 41 -10.728 5.472 4.317
256 H GLY 42 H GLY 42 -7.733 3.369 2.205
257 HA2 GLY 42 1HA GLY 42 -7.668 2.693 -0.691
258 HA3 GLY 42 2HA GLY 42 -6.377 3.453 0.249
259 H GLU 43 H GLU 43 -6.740 1.543 2.507
260 HA GLU 43 HA GLU 43 -5.070 -0.613 1.905
261 HB2 GLU 43 1HB GLU 43 -5.414 0.038 4.165
262 HB3 GLU 43 2HB GLU 43 -7.145 -0.004 4.012
263 HG2 GLU 43 1HG GLU 43 -5.895 -2.670 3.594
264 HG3 GLU 43 2HG GLU 43 -5.602 -1.962 5.174
265 H GLN 44 H GLN 44 -8.688 -0.546 2.185
266 HA GLN 44 HA GLN 44 -8.838 -3.278 1.522
267 HB2 GLN 44 1HB GLN 44 -10.575 -1.387 2.597
268 HB3 GLN 44 2HB GLN 44 -11.257 -1.603 0.977
269 HG2 GLN 44 1HG GLN 44 -10.941 -4.153 1.514
270 HG3 GLN 44 2HG GLN 44 -10.827 -3.629 3.198
271 HE21 GLN 44 1HE2 GLN 44 -12.884 -5.322 1.880
272 HE22 GLN 44 2HE2 GLN 44 -14.420 -4.474 2.016
273 H ALA 45 H ALA 45 -8.722 -0.403 -0.436
274 HA ALA 45 HA ALA 45 -9.661 -1.633 -2.852
275 HB1 ALA 45 1HB ALA 45 -7.968 0.892 -2.412
276 HB2 ALA 45 2HB ALA 45 -8.700 0.406 -3.955
277 HB3 ALA 45 3HB ALA 45 -9.731 0.817 -2.579
278 H CYS 46 H CYS 46 -6.445 -0.748 -1.552
279 HA CYS 46 HA CYS 46 -4.795 -1.793 -3.587
280 HB2 CYS 46 1HB CYS 46 -3.962 -0.255 -1.954
281 HB3 CYS 46 2HB CYS 46 -4.461 -1.266 -0.616
282 H GLN 47 H GLN 47 -5.837 -3.420 -0.530
283 HA GLN 47 HA GLN 47 -4.650 -5.859 -1.067
284 HB2 GLN 47 1HB GLN 47 -7.232 -5.252 0.410
285 HB3 GLN 47 2HB GLN 47 -6.530 -6.847 0.349
286 HG2 GLN 47 1HG GLN 47 -4.323 -5.822 1.152
287 HG3 GLN 47 2HG GLN 47 -5.243 -4.341 1.451
288 HE21 GLN 47 1HE2 GLN 47 -3.681 -5.878 3.447
289 HE22 GLN 47 2HE2 GLN 47 -4.885 -6.307 4.635
290 H MET 48 H MET 48 -7.507 -4.655 -2.739
291 HA MET 48 HA MET 48 -8.091 -7.228 -4.072
292 HB2 MET 48 1HB MET 48 -9.201 -4.409 -4.453
293 HB3 MET 48 2HB MET 48 -9.785 -5.833 -5.311
294 HG2 MET 48 1HG MET 48 -9.652 -5.767 -2.316
295 HG3 MET 48 2HG MET 48 -11.022 -5.050 -3.197
296 HE1 MET 48 3HE MET 48 -13.103 -6.240 -3.114
297 HE2 MET 48 1HE MET 48 -13.291 -7.933 -2.619
298 HE3 MET 48 2HE MET 48 -12.481 -6.770 -1.547
299 H SER 49 H SER 49 -5.722 -4.909 -4.478
300 HA SER 49 HA SER 49 -5.323 -5.509 -7.350
301 HB2 SER 49 1HB SER 49 -5.019 -3.071 -5.631
302 HB3 SER 49 2HB SER 49 -3.718 -3.388 -6.759
303 HG SER 49 HG SER 49 -6.474 -3.188 -7.400
304 H ALA 50 H ALA 50 -4.435 -6.408 -4.223
305 HA ALA 50 HA ALA 50 -1.549 -6.179 -4.732
306 HB1 ALA 50 1HB ALA 50 -3.050 -7.001 -2.251
307 HB2 ALA 50 2HB ALA 50 -1.283 -6.845 -2.412
308 HB3 ALA 50 3HB ALA 50 -2.313 -5.418 -2.589
309 H GLN 51 H GLN 51 -0.436 -7.659 -5.757
310 HA GLN 51 HA GLN 51 -1.094 -10.534 -5.569
311 HB2 GLN 51 1HB GLN 51 -1.084 -10.672 -7.963
312 HB3 GLN 51 2HB GLN 51 -2.316 -9.527 -7.427
313 HG2 GLN 51 1HG GLN 51 -0.154 -7.863 -7.831
314 HG3 GLN 51 2HG GLN 51 0.145 -9.081 -9.065
315 HE21 GLN 51 1HE2 GLN 51 -2.735 -9.559 -9.741
316 HE22 GLN 51 2HE2 GLN 51 -3.150 -8.095 -10.655
317 H CYS 52 H CYS 52 0.736 -11.023 -4.424
318 HA CYS 52 HA CYS 52 3.411 -10.283 -5.441
319 HB2 CYS 52 1HB CYS 52 3.889 -11.559 -3.185
320 HB3 CYS 52 2HB CYS 52 3.531 -9.833 -3.204
Start of MODEL 3
1 H1 ASN 1 H ASN 1 -9.105 7.991 -4.067
2 HA ASN 1 HA ASN 1 -7.893 6.293 -6.169
3 HB2 ASN 1 1HB ASN 1 -7.088 8.406 -7.181
4 HB3 ASN 1 2HB ASN 1 -8.855 8.333 -7.130
5 HD21 ASN 1 1HD2 ASN 1 -6.305 10.491 -6.544
6 HD22 ASN 1 2HD2 ASN 1 -7.130 11.451 -5.338
7 HA PRO 2 HA PRO 2 -4.865 5.801 -3.389
8 HB2 PRO 2 1HB PRO 2 -2.629 5.017 -4.778
9 HB3 PRO 2 2HB PRO 2 -4.160 4.096 -4.697
10 HG2 PRO 2 1HG PRO 2 -3.204 5.925 -6.860
11 HG3 PRO 2 2HG PRO 2 -3.959 4.313 -7.035
12 HD2 PRO 2 1HD PRO 2 -5.391 6.645 -7.317
13 HD3 PRO 2 2HD PRO 2 -6.114 5.162 -6.631
14 H GLU 3 H GLU 3 -4.322 8.757 -5.087
15 HA GLU 3 HA GLU 3 -1.928 9.386 -3.478
16 HB2 GLU 3 1HB GLU 3 -3.575 10.881 -5.516
17 HB3 GLU 3 2HB GLU 3 -2.569 11.767 -4.354
18 HG2 GLU 3 1HG GLU 3 -0.609 10.418 -4.990
19 HG3 GLU 3 2HG GLU 3 -1.550 9.571 -6.210
20 H ASP 4 H ASP 4 -5.418 9.537 -3.203
21 HA ASP 4 HA ASP 4 -5.445 11.591 -1.152
22 HB2 ASP 4 1HB ASP 4 -7.256 10.408 -2.924
23 HB3 ASP 4 2HB ASP 4 -7.810 9.771 -1.413
24 H TRP 5 H TRP 5 -5.151 8.118 -1.278
25 HA TRP 5 HA TRP 5 -6.089 7.759 1.493
26 HB2 TRP 5 1HB TRP 5 -5.305 5.814 -0.681
27 HB3 TRP 5 2HB TRP 5 -5.913 5.326 0.893
28 HD1 TRP 5 HD TRP 5 -8.325 7.351 1.227
29 HE1 TRP 5 1HE TRP 5 -10.402 7.000 -0.085
30 HE3 TRP 5 3HE TRP 5 -6.309 4.605 -2.471
31 HZ2 TRP 5 2HZ TRP 5 -11.179 5.465 -2.498
32 HZ3 TRP 5 3HZ TRP 5 -7.667 3.544 -4.262
33 HH2 TRP 5 HH TRP 5 -10.186 3.990 -4.277
34 H PHE 6 H PHE 6 -3.184 8.399 -0.001
35 HA PHE 6 HA PHE 6 -1.304 6.599 1.274
36 HB2 PHE 6 1HB PHE 6 -0.786 7.566 -0.798
37 HB3 PHE 6 2HB PHE 6 -1.192 9.189 -0.261
38 HD1 PHE 6 2HD PHE 6 1.427 6.532 -0.122
39 HD2 PHE 6 1HD PHE 6 0.375 10.591 0.911
40 HE1 PHE 6 2HE PHE 6 3.810 7.052 0.284
41 HE2 PHE 6 1HE PHE 6 2.755 11.107 1.292
42 HZ PHE 6 HZ PHE 6 4.476 9.347 0.952
43 H THR 7 H THR 7 -0.300 6.872 3.312
44 HA THR 7 HA THR 7 -0.549 9.516 4.576
45 HB THR 7 HB THR 7 -1.933 8.752 6.043
46 HG1 THR 7 1HG THR 7 -1.090 8.153 7.808
47 HG21 THR 7 3HG2 THR 7 -2.412 6.378 6.640
48 HG22 THR 7 1HG2 THR 7 -2.694 6.779 4.946
49 HG23 THR 7 2HG2 THR 7 -1.234 5.879 5.410
50 HA PRO 8 HA PRO 8 3.852 8.537 4.313
51 HB2 PRO 8 1HB PRO 8 4.853 10.963 5.121
52 HB3 PRO 8 2HB PRO 8 4.185 10.675 3.478
53 HG2 PRO 8 1HG PRO 8 2.796 11.906 5.876
54 HG3 PRO 8 2HG PRO 8 2.826 12.507 4.192
55 HD2 PRO 8 1HD PRO 8 0.759 11.048 5.199
56 HD3 PRO 8 2HD PRO 8 1.275 10.889 3.493
57 H ASP 9 H ASP 9 1.892 9.458 7.029
58 HA ASP 9 HA ASP 9 3.762 9.417 9.139
59 HB2 ASP 9 1HB ASP 9 0.954 9.660 8.832
60 HB3 ASP 9 2HB ASP 9 1.129 8.221 9.792
61 H THR 10 H THR 10 1.853 6.851 7.619
62 HA THR 10 HA THR 10 3.171 4.875 9.355
63 HB THR 10 HB THR 10 0.720 5.005 9.278
64 HG1 THR 10 1HG THR 10 0.380 2.713 8.734
65 HG21 THR 10 3HG2 THR 10 -0.580 4.263 7.386
66 HG22 THR 10 1HG2 THR 10 0.491 5.573 6.858
67 HG23 THR 10 2HG2 THR 10 0.890 3.899 6.470
68 H CYS 11 H CYS 11 3.211 6.001 6.018
69 HA CYS 11 HA CYS 11 4.207 3.460 4.967
70 HB2 CYS 11 1HB CYS 11 2.549 5.118 3.861
71 HB3 CYS 11 2HB CYS 11 3.934 6.129 3.542
72 H ALA 12 H ALA 12 6.345 3.008 4.364
73 HA ALA 12 HA ALA 12 8.424 5.011 5.047
74 HB1 ALA 12 1HB ALA 12 9.987 3.168 4.889
75 HB2 ALA 12 2HB ALA 12 8.693 2.763 6.017
76 HB3 ALA 12 3HB ALA 12 8.709 2.058 4.365
77 H TYR 13 H TYR 13 6.721 5.494 2.821
78 HA TYR 13 HA TYR 13 8.787 5.820 0.805
79 HB2 TYR 13 1HB TYR 13 6.005 4.763 0.183
80 HB3 TYR 13 2HB TYR 13 7.024 5.556 -1.006
81 HD1 TYR 13 1HD TYR 13 6.609 2.526 1.067
82 HD2 TYR 13 2HD TYR 13 9.046 4.495 -1.901
83 HE1 TYR 13 1HE TYR 13 7.749 0.411 0.627
84 HE2 TYR 13 2HE TYR 13 10.173 2.371 -2.389
85 HH TYR 13 HH TYR 13 9.615 -0.572 -0.445
86 H GLY 14 H GLY 14 8.454 7.781 -0.264
87 HA2 GLY 14 1HA GLY 14 6.648 9.698 1.118
88 HA3 GLY 14 2HA GLY 14 8.129 10.110 0.273
89 H ASP 15 H ASP 15 6.234 7.686 -1.405
90 HA ASP 15 HA ASP 15 4.951 9.683 -3.146
91 HB2 ASP 15 1HB ASP 15 7.032 7.570 -3.873
92 HB3 ASP 15 2HB ASP 15 5.731 7.916 -5.012
93 H SER 16 H SER 16 2.919 9.112 -3.480
94 HA SER 16 HA SER 16 1.798 6.782 -2.349
95 HB2 SER 16 1HB SER 16 0.234 8.409 -2.476
96 HB3 SER 16 2HB SER 16 0.915 9.115 -3.951
97 HG SER 16 HG SER 16 -1.130 7.347 -3.645
98 H ASN 17 H ASN 17 2.859 7.386 -5.719
99 HA ASN 17 HA ASN 17 1.722 4.915 -6.818
100 HB2 ASN 17 1HB ASN 17 3.953 6.740 -7.824
101 HB3 ASN 17 2HB ASN 17 3.308 5.334 -8.672
102 HD21 ASN 17 1HD2 ASN 17 2.989 8.679 -8.443
103 HD22 ASN 17 2HD2 ASN 17 1.355 8.858 -8.994
104 H THR 18 H THR 18 5.094 5.880 -5.813
105 HA THR 18 HA THR 18 6.116 3.370 -6.143
106 HB THR 18 HB THR 18 6.913 5.361 -3.989
107 HG1 THR 18 1HG THR 18 8.076 6.377 -5.675
108 HG21 THR 18 3HG2 THR 18 8.642 3.560 -5.737
109 HG22 THR 18 1HG2 THR 18 9.194 4.591 -4.401
110 HG23 THR 18 2HG2 THR 18 8.179 3.175 -4.070
111 H ALA 19 H ALA 19 4.471 4.694 -3.244
112 HA ALA 19 HA ALA 19 4.761 2.514 -1.548
113 HB1 ALA 19 1HB ALA 19 2.758 3.385 -0.396
114 HB2 ALA 19 2HB ALA 19 3.931 4.659 -0.784
115 HB3 ALA 19 3HB ALA 19 2.460 4.492 -1.754
116 H TRP 20 H TRP 20 1.837 3.261 -3.580
117 HA TRP 20 HA TRP 20 0.388 0.926 -3.209
118 HB2 TRP 20 1HB TRP 20 -0.487 2.929 -4.260
119 HB3 TRP 20 2HB TRP 20 0.637 2.788 -5.602
120 HD1 TRP 20 HD TRP 20 0.075 0.993 -7.491
121 HE1 TRP 20 1HE TRP 20 -2.169 0.102 -8.334
122 HE3 TRP 20 3HE TRP 20 -2.742 1.979 -3.390
123 HZ2 TRP 20 2HZ TRP 20 -4.935 -0.311 -7.199
124 HZ3 TRP 20 3HZ TRP 20 -5.060 1.171 -3.249
125 HH2 TRP 20 HH TRP 20 -6.131 -0.026 -5.122
126 H THR 21 H THR 21 2.798 1.620 -5.834
127 HA THR 21 HA THR 21 2.557 -0.830 -7.143
128 HB THR 21 HB THR 21 4.999 0.973 -6.967
129 HG1 THR 21 1HG THR 21 2.560 1.192 -8.411
130 HG21 THR 21 3HG2 THR 21 5.374 -1.145 -8.216
131 HG22 THR 21 1HG2 THR 21 3.932 -0.785 -9.208
132 HG23 THR 21 2HG2 THR 21 5.343 0.280 -9.292
133 H THR 22 H THR 22 4.871 0.072 -4.422
134 HA THR 22 HA THR 22 5.976 -2.542 -4.241
135 HB THR 22 HB THR 22 5.752 -0.224 -2.348
136 HG1 THR 22 1HG THR 22 7.953 -0.151 -2.842
137 HG21 THR 22 3HG2 THR 22 7.240 -2.854 -1.896
138 HG22 THR 22 1HG2 THR 22 7.442 -1.378 -0.930
139 HG23 THR 22 2HG2 THR 22 5.900 -2.226 -0.912
140 H CYS 23 H CYS 23 3.075 -1.111 -2.564
141 HA CYS 23 HA CYS 23 2.415 -3.495 -1.118
142 HB2 CYS 23 1HB CYS 23 0.422 -1.501 -2.184
143 HB3 CYS 23 2HB CYS 23 0.273 -2.581 -0.822
144 H THR 24 H THR 24 2.348 -3.146 -4.520
145 HA THR 24 HA THR 24 0.258 -5.259 -4.666
146 HB THR 24 HB THR 24 -0.391 -4.207 -6.854
147 HG1 THR 24 1HG THR 24 0.968 -1.971 -5.805
148 HG21 THR 24 3HG2 THR 24 -1.699 -2.348 -5.923
149 HG22 THR 24 1HG2 THR 24 -1.785 -3.744 -4.850
150 HG23 THR 24 2HG2 THR 24 -0.750 -2.382 -4.427
151 H THR 25 H THR 25 3.515 -5.069 -4.836
152 HA THR 25 HA THR 25 3.619 -7.067 -7.013
153 HB THR 25 HB THR 25 5.727 -6.048 -7.821
154 HG1 THR 25 1HG THR 25 5.012 -3.783 -6.291
155 HG21 THR 25 3HG2 THR 25 3.595 -5.508 -8.953
156 HG22 THR 25 1HG2 THR 25 3.384 -4.084 -7.916
157 HG23 THR 25 2HG2 THR 25 4.741 -4.157 -9.036
158 HA PRO 26 HA PRO 26 5.422 -9.470 -4.090
159 HB2 PRO 26 1HB PRO 26 7.304 -11.056 -5.229
160 HB3 PRO 26 2HB PRO 26 5.561 -11.175 -5.578
161 HG2 PRO 26 1HG PRO 26 7.677 -9.729 -7.192
162 HG3 PRO 26 2HG PRO 26 6.354 -10.785 -7.787
163 HD2 PRO 26 1HD PRO 26 6.176 -8.076 -7.818
164 HD3 PRO 26 2HD PRO 26 4.745 -9.097 -7.486
165 H GLY 27 H GLY 27 6.316 -8.457 -2.471
166 HA2 GLY 27 1HA GLY 27 9.204 -8.504 -2.139
167 HA3 GLY 27 2HA GLY 27 8.481 -6.882 -2.125
168 H GLN 28 H GLN 28 9.637 -7.491 0.064
169 HA GLN 28 HA GLN 28 8.852 -8.750 2.213
170 HB2 GLN 28 1HB GLN 28 9.556 -6.755 3.504
171 HB3 GLN 28 2HB GLN 28 10.607 -7.100 2.151
172 HG2 GLN 28 1HG GLN 28 8.862 -5.292 0.968
173 HG3 GLN 28 2HG GLN 28 8.840 -4.753 2.643
174 HE21 GLN 28 1HE2 GLN 28 10.635 -4.689 -0.393
175 HE22 GLN 28 2HE2 GLN 28 11.993 -3.841 0.271
176 H THR 29 H THR 29 7.012 -5.879 1.081
177 HA THR 29 HA THR 29 4.680 -6.609 2.742
178 HB THR 29 HB THR 29 4.543 -4.218 3.396
179 HG1 THR 29 1HG THR 29 5.944 -3.522 1.646
180 HG21 THR 29 3HG2 THR 29 6.303 -4.190 5.093
181 HG22 THR 29 1HG2 THR 29 5.554 -5.790 4.974
182 HG23 THR 29 2HG2 THR 29 7.165 -5.499 4.278
183 H CYS 30 H CYS 30 3.693 -7.330 0.842
184 HA CYS 30 HA CYS 30 3.198 -5.395 -1.336
185 HB2 CYS 30 1HB CYS 30 3.965 -7.584 -2.058
186 HB3 CYS 30 2HB CYS 30 2.734 -8.386 -1.110
187 H TYR 31 H TYR 31 0.801 -7.604 -0.904
188 HA TYR 31 HA TYR 31 -1.406 -6.305 -0.193
189 HB2 TYR 31 1HB TYR 31 -1.178 -8.748 -0.579
190 HB3 TYR 31 2HB TYR 31 -0.498 -8.944 1.021
191 HD1 TYR 31 2HD TYR 31 -1.905 -8.487 3.067
192 HD2 TYR 31 1HD TYR 31 -3.559 -8.581 -0.928
193 HE1 TYR 31 2HE TYR 31 -4.168 -8.655 4.015
194 HE2 TYR 31 1HE TYR 31 -5.819 -8.799 0.016
195 HH TYR 31 HH TYR 31 -6.464 -8.702 3.521
196 H THR 32 H THR 32 0.897 -7.306 2.399
197 HA THR 32 HA THR 32 -0.814 -6.173 4.388
198 HB THR 32 HB THR 32 2.144 -6.690 4.780
199 HG1 THR 32 1HG THR 32 1.598 -8.866 4.974
200 HG21 THR 32 3HG2 THR 32 1.311 -7.375 7.016
201 HG22 THR 32 1HG2 THR 32 0.796 -5.721 6.656
202 HG23 THR 32 2HG2 THR 32 -0.374 -7.045 6.495
203 H CYS 33 H CYS 33 1.641 -4.740 2.343
204 HA CYS 33 HA CYS 33 2.128 -2.275 3.771
205 HB2 CYS 33 1HB CYS 33 3.705 -2.726 2.234
206 HB3 CYS 33 2HB CYS 33 2.601 -3.241 1.003
207 H CYS 34 H CYS 34 -0.453 -3.431 1.605
208 HA CYS 34 HA CYS 34 -1.857 -1.077 1.070
209 HB2 CYS 34 1HB CYS 34 -3.013 -3.666 1.995
210 HB3 CYS 34 2HB CYS 34 -3.846 -2.388 1.157
211 H SER 35 H SER 35 -1.508 -2.790 4.141
212 HA SER 35 HA SER 35 -3.334 -0.894 5.536
213 HB2 SER 35 1HB SER 35 -3.133 -2.184 7.484
214 HB3 SER 35 2HB SER 35 -3.438 -3.278 6.143
215 HG SER 35 HG SER 35 -1.033 -3.590 6.169
216 H SER 36 H SER 36 0.218 -1.732 5.550
217 HA SER 36 HA SER 36 0.741 0.318 7.548
218 HB2 SER 36 1HB SER 36 3.110 -0.683 7.210
219 HB3 SER 36 2HB SER 36 1.855 -1.655 7.962
220 HG SER 36 HG SER 36 2.593 -3.021 6.522
221 H CYS 37 H CYS 37 -0.252 1.274 4.976
222 HA CYS 37 HA CYS 37 1.770 3.311 4.520
223 HB2 CYS 37 1HB CYS 37 1.247 1.167 2.527
224 HB3 CYS 37 2HB CYS 37 1.211 2.806 1.885
225 H PHE 38 H PHE 38 -1.606 2.138 4.178
226 HA PHE 38 HA PHE 38 -2.462 4.831 3.270
227 HB2 PHE 38 1HB PHE 38 -3.103 2.081 2.119
228 HB3 PHE 38 2HB PHE 38 -4.223 3.405 2.046
229 HD1 PHE 38 2HD PHE 38 -0.551 3.971 1.319
230 HD2 PHE 38 1HD PHE 38 -4.491 3.316 -0.286
231 HE1 PHE 38 2HE PHE 38 0.245 4.647 -0.883
232 HE2 PHE 38 1HE PHE 38 -3.688 4.002 -2.485
233 HZ PHE 38 HZ PHE 38 -1.302 4.700 -2.810
234 H ASP 39 H ASP 39 -4.558 5.356 3.872
235 HA ASP 39 HA ASP 39 -5.645 4.516 6.361
236 HB2 ASP 39 1HB ASP 39 -7.313 5.392 3.977
237 HB3 ASP 39 2HB ASP 39 -7.753 5.522 5.661
238 H VAL 40 H VAL 40 -7.628 3.355 6.768
239 HA VAL 40 HA VAL 40 -7.946 0.871 5.795
240 HB VAL 40 HB VAL 40 -8.936 1.765 7.812
241 HG11 VAL 40 1HG1 VAL 40 -10.869 3.228 7.875
242 HG12 VAL 40 2HG1 VAL 40 -9.628 4.039 6.918
243 HG13 VAL 40 3HG1 VAL 40 -10.982 3.272 6.107
244 HG21 VAL 40 3HG2 VAL 40 -9.934 -0.242 6.759
245 HG22 VAL 40 1HG2 VAL 40 -11.074 0.657 7.772
246 HG23 VAL 40 2HG2 VAL 40 -11.172 0.775 5.998
247 H VAL 41 H VAL 41 -9.388 3.802 4.309
248 HA VAL 41 HA VAL 41 -11.151 2.433 2.514
249 HB VAL 41 HB VAL 41 -9.875 5.173 2.065
250 HG11 VAL 41 1HG1 VAL 41 -12.666 4.105 1.443
251 HG12 VAL 41 2HG1 VAL 41 -12.027 5.705 1.012
252 HG13 VAL 41 3HG1 VAL 41 -11.341 4.258 0.256
253 HG21 VAL 41 3HG2 VAL 41 -12.208 4.480 3.917
254 HG22 VAL 41 1HG2 VAL 41 -10.682 5.279 4.373
255 HG23 VAL 41 2HG2 VAL 41 -11.835 6.108 3.347
256 H GLY 42 H GLY 42 -7.836 3.607 2.377
257 HA2 GLY 42 1HA GLY 42 -7.070 3.086 -0.230
258 HA3 GLY 42 2HA GLY 42 -6.071 3.182 1.216
259 H GLU 43 H GLU 43 -6.398 1.338 2.784
260 HA GLU 43 HA GLU 43 -5.076 -0.883 2.059
261 HB2 GLU 43 1HB GLU 43 -5.568 -0.168 4.344
262 HB3 GLU 43 2HB GLU 43 -7.265 -0.612 4.147
263 HG2 GLU 43 1HG GLU 43 -6.564 -2.989 3.765
264 HG3 GLU 43 2HG GLU 43 -4.888 -2.522 4.123
265 H GLN 44 H GLN 44 -8.729 -0.953 2.317
266 HA GLN 44 HA GLN 44 -8.838 -3.641 1.495
267 HB2 GLN 44 1HB GLN 44 -10.604 -2.522 2.760
268 HB3 GLN 44 2HB GLN 44 -10.821 -1.334 1.476
269 HG2 GLN 44 1HG GLN 44 -11.491 -3.275 -0.038
270 HG3 GLN 44 2HG GLN 44 -11.513 -4.299 1.399
271 HE21 GLN 44 1HE2 GLN 44 -12.750 -1.162 0.098
272 HE22 GLN 44 2HE2 GLN 44 -14.340 -1.282 0.829
273 H ALA 45 H ALA 45 -8.606 -0.596 -0.342
274 HA ALA 45 HA ALA 45 -9.574 -1.881 -2.775
275 HB1 ALA 45 1HB ALA 45 -8.174 0.406 -3.616
276 HB2 ALA 45 2HB ALA 45 -9.923 0.272 -3.348
277 HB3 ALA 45 3HB ALA 45 -8.891 0.877 -2.043
278 H CYS 46 H CYS 46 -6.454 -0.911 -1.390
279 HA CYS 46 HA CYS 46 -4.776 -1.809 -3.549
280 HB2 CYS 46 1HB CYS 46 -3.933 -0.271 -1.907
281 HB3 CYS 46 2HB CYS 46 -4.384 -1.308 -0.577
282 H GLN 47 H GLN 47 -5.681 -3.426 -0.472
283 HA GLN 47 HA GLN 47 -4.660 -5.958 -0.992
284 HB2 GLN 47 1HB GLN 47 -7.117 -5.074 0.574
285 HB3 GLN 47 2HB GLN 47 -6.557 -6.732 0.571
286 HG2 GLN 47 1HG GLN 47 -4.221 -5.803 1.247
287 HG3 GLN 47 2HG GLN 47 -5.032 -4.288 1.447
288 HE21 GLN 47 1HE2 GLN 47 -3.531 -5.739 3.522
289 HE22 GLN 47 2HE2 GLN 47 -4.774 -5.852 4.784
290 H MET 48 H MET 48 -7.242 -4.544 -2.799
291 HA MET 48 HA MET 48 -8.065 -7.193 -3.906
292 HB2 MET 48 1HB MET 48 -9.372 -4.447 -3.954
293 HB3 MET 48 2HB MET 48 -10.009 -5.872 -4.779
294 HG2 MET 48 1HG MET 48 -9.366 -5.898 -1.826
295 HG3 MET 48 2HG MET 48 -10.915 -5.269 -2.422
296 HE1 MET 48 3HE MET 48 -12.160 -8.511 -0.805
297 HE2 MET 48 1HE MET 48 -11.022 -7.279 -0.212
298 HE3 MET 48 2HE MET 48 -12.477 -6.788 -1.098
299 H SER 49 H SER 49 -5.902 -4.762 -4.506
300 HA SER 49 HA SER 49 -5.764 -5.346 -7.391
301 HB2 SER 49 1HB SER 49 -4.878 -2.817 -5.955
302 HB3 SER 49 2HB SER 49 -4.824 -3.125 -7.695
303 HG SER 49 HG SER 49 -7.211 -3.382 -7.495
304 H ALA 50 H ALA 50 -4.509 -6.287 -4.557
305 HA ALA 50 HA ALA 50 -1.625 -5.896 -5.166
306 HB1 ALA 50 1HB ALA 50 -1.306 -6.549 -2.765
307 HB2 ALA 50 2HB ALA 50 -2.249 -5.070 -2.963
308 HB3 ALA 50 3HB ALA 50 -3.070 -6.599 -2.573
309 H GLN 51 H GLN 51 -0.619 -7.539 -6.156
310 HA GLN 51 HA GLN 51 -1.250 -10.318 -5.393
311 HB2 GLN 51 1HB GLN 51 -1.184 -9.271 -8.251
312 HB3 GLN 51 2HB GLN 51 -1.332 -10.966 -7.720
313 HG2 GLN 51 1HG GLN 51 -3.459 -10.336 -6.525
314 HG3 GLN 51 2HG GLN 51 -3.350 -8.709 -7.207
315 HE21 GLN 51 1HE2 GLN 51 -3.647 -8.412 -9.545
316 HE22 GLN 51 2HE2 GLN 51 -4.346 -9.724 -10.483
317 H CYS 52 H CYS 52 0.681 -10.484 -4.303
318 HA CYS 52 HA CYS 52 3.230 -9.998 -5.676
319 HB2 CYS 52 1HB CYS 52 3.906 -11.394 -3.592
320 HB3 CYS 52 2HB CYS 52 3.526 -9.687 -3.397
Start of MODEL 4
1 H1 ASN 1 H ASN 1 -9.305 6.449 -4.159
2 HA ASN 1 HA ASN 1 -7.927 6.569 -6.185
3 HB2 ASN 1 1HB ASN 1 -7.870 9.517 -5.449
4 HB3 ASN 1 2HB ASN 1 -6.767 8.736 -6.596
5 HD21 ASN 1 1HD2 ASN 1 -8.049 10.692 -7.714
6 HD22 ASN 1 2HD2 ASN 1 -9.400 10.158 -8.708
7 HA PRO 2 HA PRO 2 -4.906 5.682 -3.139
8 HB2 PRO 2 1HB PRO 2 -2.655 5.090 -4.636
9 HB3 PRO 2 2HB PRO 2 -4.128 4.089 -4.517
10 HG2 PRO 2 1HG PRO 2 -3.428 6.056 -6.676
11 HG3 PRO 2 2HG PRO 2 -4.025 4.363 -6.843
12 HD2 PRO 2 1HD PRO 2 -5.705 6.498 -7.044
13 HD3 PRO 2 2HD PRO 2 -6.215 4.953 -6.294
14 H GLU 3 H GLU 3 -4.293 8.511 -5.264
15 HA GLU 3 HA GLU 3 -1.989 9.396 -3.798
16 HB2 GLU 3 1HB GLU 3 -3.368 10.162 -6.156
17 HB3 GLU 3 2HB GLU 3 -3.658 11.486 -5.047
18 HG2 GLU 3 1HG GLU 3 -1.674 12.251 -5.827
19 HG3 GLU 3 2HG GLU 3 -0.966 11.170 -4.638
20 H ASP 4 H ASP 4 -5.283 9.222 -3.126
21 HA ASP 4 HA ASP 4 -5.525 11.632 -1.503
22 HB2 ASP 4 1HB ASP 4 -7.177 10.280 -3.210
23 HB3 ASP 4 2HB ASP 4 -7.641 9.520 -1.713
24 H TRP 5 H TRP 5 -5.322 8.117 -1.253
25 HA TRP 5 HA TRP 5 -6.329 8.048 1.495
26 HB2 TRP 5 1HB TRP 5 -5.603 5.843 -0.417
27 HB3 TRP 5 2HB TRP 5 -6.305 5.627 1.183
28 HD1 TRP 5 HD TRP 5 -8.645 7.667 1.169
29 HE1 TRP 5 1HE TRP 5 -10.738 7.148 -0.219
30 HE3 TRP 5 3HE TRP 5 -6.536 4.630 -2.260
31 HZ2 TRP 5 2HZ TRP 5 -11.410 5.546 -2.569
32 HZ3 TRP 5 3HZ TRP 5 -7.876 3.609 -4.131
33 HH2 TRP 5 HH TRP 5 -10.343 4.031 -4.238
34 H PHE 6 H PHE 6 -3.334 8.405 0.085
35 HA PHE 6 HA PHE 6 -1.609 6.502 1.255
36 HB2 PHE 6 1HB PHE 6 -1.120 7.825 -0.685
37 HB3 PHE 6 2HB PHE 6 -1.330 9.327 0.187
38 HD1 PHE 6 2HD PHE 6 0.796 6.220 0.745
39 HD2 PHE 6 1HD PHE 6 0.627 10.519 0.295
40 HE1 PHE 6 2HE PHE 6 3.269 6.363 0.920
41 HE2 PHE 6 1HE PHE 6 3.094 10.630 0.439
42 HZ PHE 6 HZ PHE 6 4.409 8.560 0.682
43 H THR 7 H THR 7 -0.541 6.392 3.268
44 HA THR 7 HA THR 7 -0.741 8.734 5.075
45 HB THR 7 HB THR 7 -0.959 7.024 6.936
46 HG1 THR 7 1HG THR 7 -2.102 5.153 6.297
47 HG21 THR 7 3HG2 THR 7 -2.739 8.572 6.202
48 HG22 THR 7 1HG2 THR 7 -3.280 7.382 4.994
49 HG23 THR 7 2HG2 THR 7 -3.402 7.015 6.720
50 HA PRO 8 HA PRO 8 3.638 7.697 4.380
51 HB2 PRO 8 1HB PRO 8 4.686 10.190 4.675
52 HB3 PRO 8 2HB PRO 8 3.853 9.651 3.193
53 HG2 PRO 8 1HG PRO 8 2.673 11.218 5.515
54 HG3 PRO 8 2HG PRO 8 2.552 11.577 3.763
55 HD2 PRO 8 1HD PRO 8 0.583 10.310 5.062
56 HD3 PRO 8 2HD PRO 8 1.023 9.842 3.388
57 H ASP 9 H ASP 9 2.031 9.029 7.170
58 HA ASP 9 HA ASP 9 3.955 8.945 9.217
59 HB2 ASP 9 1HB ASP 9 1.796 9.410 9.938
60 HB3 ASP 9 2HB ASP 9 1.050 8.163 8.956
61 H THR 10 H THR 10 2.191 6.268 7.693
62 HA THR 10 HA THR 10 3.617 4.449 9.435
63 HB THR 10 HB THR 10 1.414 4.278 9.785
64 HG1 THR 10 1HG THR 10 1.882 2.249 7.890
65 HG21 THR 10 3HG2 THR 10 -0.364 4.057 8.159
66 HG22 THR 10 1HG2 THR 10 0.486 5.553 7.935
67 HG23 THR 10 2HG2 THR 10 0.792 4.193 6.814
68 H CYS 11 H CYS 11 3.543 5.452 6.163
69 HA CYS 11 HA CYS 11 4.650 2.990 5.031
70 HB2 CYS 11 1HB CYS 11 2.900 4.702 4.061
71 HB3 CYS 11 2HB CYS 11 4.284 5.661 3.658
72 H ALA 12 H ALA 12 6.748 2.860 3.996
73 HA ALA 12 HA ALA 12 8.807 4.764 4.940
74 HB1 ALA 12 1HB ALA 12 9.071 2.097 3.485
75 HB2 ALA 12 2HB ALA 12 10.372 3.026 4.250
76 HB3 ALA 12 3HB ALA 12 9.110 2.301 5.252
77 H TYR 13 H TYR 13 6.926 5.723 2.888
78 HA TYR 13 HA TYR 13 8.729 6.204 0.622
79 HB2 TYR 13 1HB TYR 13 5.900 5.128 0.392
80 HB3 TYR 13 2HB TYR 13 6.794 5.841 -0.940
81 HD1 TYR 13 2HD TYR 13 9.001 4.824 -1.667
82 HD2 TYR 13 1HD TYR 13 6.247 2.780 0.949
83 HE1 TYR 13 2HE TYR 13 9.970 2.661 -2.333
84 HE2 TYR 13 1HE TYR 13 7.205 0.621 0.310
85 HH TYR 13 HH TYR 13 8.467 -0.114 -2.102
86 H GLY 14 H GLY 14 8.219 8.102 -0.535
87 HA2 GLY 14 1HA GLY 14 6.434 9.992 0.882
88 HA3 GLY 14 2HA GLY 14 7.866 10.398 -0.062
89 H ASP 15 H ASP 15 6.184 7.922 -1.758
90 HA ASP 15 HA ASP 15 4.549 9.887 -3.237
91 HB2 ASP 15 1HB ASP 15 5.623 7.719 -4.925
92 HB3 ASP 15 2HB ASP 15 5.304 9.384 -5.306
93 H SER 16 H SER 16 2.511 9.168 -3.401
94 HA SER 16 HA SER 16 1.532 6.768 -2.365
95 HB2 SER 16 1HB SER 16 -0.305 8.012 -2.690
96 HB3 SER 16 2HB SER 16 0.525 9.060 -3.825
97 HG SER 16 HG SER 16 -0.425 8.179 -5.395
98 H ASN 17 H ASN 17 2.851 7.425 -5.610
99 HA ASN 17 HA ASN 17 1.879 5.035 -6.873
100 HB2 ASN 17 1HB ASN 17 3.388 7.348 -7.656
101 HB3 ASN 17 2HB ASN 17 4.471 6.004 -7.872
102 HD21 ASN 17 1HD2 ASN 17 4.462 6.300 -10.126
103 HD22 ASN 17 2HD2 ASN 17 3.081 6.015 -11.152
104 H THR 18 H THR 18 5.072 5.932 -5.471
105 HA THR 18 HA THR 18 6.177 3.451 -5.899
106 HB THR 18 HB THR 18 6.960 5.354 -3.654
107 HG1 THR 18 1HG THR 18 7.736 6.719 -5.075
108 HG21 THR 18 3HG2 THR 18 9.225 4.639 -4.215
109 HG22 THR 18 1HG2 THR 18 8.229 3.173 -4.017
110 HG23 THR 18 2HG2 THR 18 8.644 3.747 -5.639
111 H ALA 19 H ALA 19 4.411 4.760 -3.073
112 HA ALA 19 HA ALA 19 4.677 2.578 -1.311
113 HB1 ALA 19 1HB ALA 19 3.820 4.748 -0.615
114 HB2 ALA 19 2HB ALA 19 2.400 4.578 -1.653
115 HB3 ALA 19 3HB ALA 19 2.616 3.489 -0.273
116 H TRP 20 H TRP 20 1.845 3.361 -3.398
117 HA TRP 20 HA TRP 20 0.357 1.048 -3.011
118 HB2 TRP 20 1HB TRP 20 -0.473 3.108 -4.064
119 HB3 TRP 20 2HB TRP 20 0.581 2.858 -5.444
120 HD1 TRP 20 HD TRP 20 -0.028 0.822 -7.082
121 HE1 TRP 20 1HE TRP 20 -2.234 -0.284 -7.672
122 HE3 TRP 20 3HE TRP 20 -2.755 2.332 -3.032
123 HZ2 TRP 20 2HZ TRP 20 -4.977 -0.269 -6.654
124 HZ3 TRP 20 3HZ TRP 20 -5.156 1.771 -2.863
125 HH2 TRP 20 HH TRP 20 -6.290 0.513 -4.704
126 H THR 21 H THR 21 2.676 1.706 -5.734
127 HA THR 21 HA THR 21 2.291 -0.828 -6.915
128 HB THR 21 HB THR 21 4.558 1.180 -7.186
129 HG1 THR 21 1HG THR 21 2.540 1.978 -7.859
130 HG21 THR 21 3HG2 THR 21 4.961 0.165 -9.366
131 HG22 THR 21 1HG2 THR 21 5.241 -1.032 -8.088
132 HG23 THR 21 2HG2 THR 21 3.747 -1.091 -9.048
133 H THR 22 H THR 22 4.536 0.186 -4.255
134 HA THR 22 HA THR 22 6.002 -2.300 -4.241
135 HB THR 22 HB THR 22 5.368 -0.335 -2.000
136 HG1 THR 22 1HG THR 22 6.556 0.637 -3.486
137 HG21 THR 22 3HG2 THR 22 7.249 -1.362 -0.797
138 HG22 THR 22 1HG2 THR 22 5.968 -2.533 -1.066
139 HG23 THR 22 2HG2 THR 22 7.417 -2.576 -2.084
140 H CYS 23 H CYS 23 3.008 -1.193 -2.512
141 HA CYS 23 HA CYS 23 2.575 -3.643 -1.152
142 HB2 CYS 23 1HB CYS 23 0.399 -1.850 -2.204
143 HB3 CYS 23 2HB CYS 23 0.387 -2.853 -0.768
144 H THR 24 H THR 24 1.815 -2.829 -4.556
145 HA THR 24 HA THR 24 0.146 -5.240 -4.680
146 HB THR 24 HB THR 24 -0.331 -4.465 -6.980
147 HG1 THR 24 1HG THR 24 0.395 -2.271 -7.404
148 HG21 THR 24 3HG2 THR 24 -1.652 -2.514 -6.412
149 HG22 THR 24 1HG2 THR 24 -1.720 -3.635 -5.052
150 HG23 THR 24 2HG2 THR 24 -0.693 -2.207 -4.955
151 H THR 25 H THR 25 3.451 -4.996 -4.617
152 HA THR 25 HA THR 25 3.775 -7.076 -6.697
153 HB THR 25 HB THR 25 5.906 -5.943 -7.322
154 HG1 THR 25 1HG THR 25 4.990 -3.665 -5.979
155 HG21 THR 25 3HG2 THR 25 4.972 -3.912 -8.469
156 HG22 THR 25 1HG2 THR 25 4.070 -5.408 -8.768
157 HG23 THR 25 2HG2 THR 25 3.438 -4.172 -7.652
158 HA PRO 26 HA PRO 26 5.915 -9.312 -3.622
159 HB2 PRO 26 1HB PRO 26 8.038 -10.511 -4.919
160 HB3 PRO 26 2HB PRO 26 6.332 -11.016 -5.091
161 HG2 PRO 26 1HG PRO 26 7.919 -9.170 -6.901
162 HG3 PRO 26 2HG PRO 26 6.882 -10.558 -7.370
163 HD2 PRO 26 1HD PRO 26 5.943 -8.035 -7.479
164 HD3 PRO 26 2HD PRO 26 4.893 -9.346 -6.883
165 H GLY 27 H GLY 27 7.234 -8.708 -1.997
166 HA2 GLY 27 1HA GLY 27 9.688 -7.261 -2.199
167 HA3 GLY 27 2HA GLY 27 8.319 -6.174 -1.902
168 H GLN 28 H GLN 28 9.948 -6.089 0.080
169 HA GLN 28 HA GLN 28 9.618 -7.989 2.172
170 HB2 GLN 28 1HB GLN 28 10.150 -6.084 3.698
171 HB3 GLN 28 2HB GLN 28 11.325 -6.432 2.455
172 HG2 GLN 28 1HG GLN 28 9.274 -4.192 2.176
173 HG3 GLN 28 2HG GLN 28 10.815 -3.984 2.995
174 HE21 GLN 28 1HE2 GLN 28 9.425 -3.307 0.065
175 HE22 GLN 28 2HE2 GLN 28 10.858 -3.505 -0.945
176 H THR 29 H THR 29 7.279 -5.912 0.758
177 HA THR 29 HA THR 29 5.223 -6.371 2.783
178 HB THR 29 HB THR 29 4.841 -3.970 3.034
179 HG1 THR 29 1HG THR 29 5.967 -3.367 1.126
180 HG21 THR 29 3HG2 THR 29 7.692 -4.385 3.931
181 HG22 THR 29 1HG2 THR 29 6.418 -3.379 4.647
182 HG23 THR 29 2HG2 THR 29 6.298 -5.148 4.708
183 H CYS 30 H CYS 30 4.451 -7.560 0.843
184 HA CYS 30 HA CYS 30 3.610 -5.939 -1.478
185 HB2 CYS 30 1HB CYS 30 4.382 -8.297 -1.780
186 HB3 CYS 30 2HB CYS 30 3.000 -8.859 -0.852
187 H TYR 31 H TYR 31 1.089 -7.794 -1.015
188 HA TYR 31 HA TYR 31 -0.971 -6.336 -0.447
189 HB2 TYR 31 1HB TYR 31 -0.945 -8.790 -0.679
190 HB3 TYR 31 2HB TYR 31 -0.344 -8.959 0.951
191 HD1 TYR 31 1HD TYR 31 -1.704 -8.639 2.910
192 HD2 TYR 31 2HD TYR 31 -3.360 -8.222 -1.051
193 HE1 TYR 31 1HE TYR 31 -3.932 -9.007 3.822
194 HE2 TYR 31 2HE TYR 31 -5.621 -8.616 -0.160
195 HH TYR 31 HH TYR 31 -6.867 -9.137 1.696
196 H THR 32 H THR 32 1.095 -7.367 2.335
197 HA THR 32 HA THR 32 -0.641 -6.135 4.248
198 HB THR 32 HB THR 32 2.323 -6.569 4.610
199 HG1 THR 32 1HG THR 32 0.232 -8.464 5.016
200 HG21 THR 32 3HG2 THR 32 1.548 -7.095 6.949
201 HG22 THR 32 1HG2 THR 32 1.245 -5.423 6.436
202 HG23 THR 32 2HG2 THR 32 -0.106 -6.573 6.451
203 H CYS 33 H CYS 33 1.919 -4.729 2.220
204 HA CYS 33 HA CYS 33 2.269 -2.273 3.649
205 HB2 CYS 33 1HB CYS 33 3.894 -2.532 2.135
206 HB3 CYS 33 2HB CYS 33 2.901 -3.289 0.933
207 H CYS 34 H CYS 34 -0.310 -3.442 1.445
208 HA CYS 34 HA CYS 34 -1.725 -1.085 0.903
209 HB2 CYS 34 1HB CYS 34 -2.849 -3.703 1.795
210 HB3 CYS 34 2HB CYS 34 -3.710 -2.417 1.007
211 H SER 35 H SER 35 -1.361 -2.878 3.889
212 HA SER 35 HA SER 35 -3.544 -1.547 5.363
213 HB2 SER 35 1HB SER 35 -2.919 -4.088 5.279
214 HB3 SER 35 2HB SER 35 -1.591 -3.654 6.366
215 HG SER 35 HG SER 35 -4.380 -3.168 6.826
216 H SER 36 H SER 36 -0.059 -1.430 4.988
217 HA SER 36 HA SER 36 0.299 0.136 7.476
218 HB2 SER 36 1HB SER 36 2.396 -1.218 5.759
219 HB3 SER 36 2HB SER 36 2.578 -0.585 7.400
220 HG SER 36 HG SER 36 1.002 -2.184 8.052
221 H CYS 37 H CYS 37 -0.264 0.922 4.318
222 HA CYS 37 HA CYS 37 1.490 3.346 4.378
223 HB2 CYS 37 1HB CYS 37 1.030 1.288 2.203
224 HB3 CYS 37 2HB CYS 37 1.414 2.947 1.777
225 H PHE 38 H PHE 38 -1.747 2.352 4.390
226 HA PHE 38 HA PHE 38 -2.618 4.824 3.119
227 HB2 PHE 38 1HB PHE 38 -3.566 2.063 2.212
228 HB3 PHE 38 2HB PHE 38 -4.351 3.581 1.814
229 HD1 PHE 38 1HD PHE 38 -1.319 1.508 1.216
230 HD2 PHE 38 2HD PHE 38 -3.457 5.083 0.135
231 HE1 PHE 38 1HE PHE 38 0.289 1.924 -0.638
232 HE2 PHE 38 2HE PHE 38 -1.855 5.481 -1.721
233 HZ PHE 38 HZ PHE 38 0.036 3.950 -2.069
234 H ASP 39 H ASP 39 -4.668 5.443 3.871
235 HA ASP 39 HA ASP 39 -5.659 4.412 6.379
236 HB2 ASP 39 1HB ASP 39 -7.273 5.790 4.200
237 HB3 ASP 39 2HB ASP 39 -7.778 5.539 5.808
238 H VAL 40 H VAL 40 -7.683 3.309 6.627
239 HA VAL 40 HA VAL 40 -8.050 0.890 5.590
240 HB VAL 40 HB VAL 40 -9.107 1.641 7.550
241 HG11 VAL 40 1HG1 VAL 40 -10.927 3.231 7.707
242 HG12 VAL 40 2HG1 VAL 40 -9.535 4.040 7.012
243 HG13 VAL 40 3HG1 VAL 40 -10.878 3.550 5.957
244 HG21 VAL 40 3HG2 VAL 40 -10.295 -0.115 6.340
245 HG22 VAL 40 1HG2 VAL 40 -11.398 0.896 7.307
246 HG23 VAL 40 2HG2 VAL 40 -11.312 1.114 5.545
247 H VAL 41 H VAL 41 -9.385 3.842 3.998
248 HA VAL 41 HA VAL 41 -11.031 2.355 2.157
249 HB VAL 41 HB VAL 41 -9.898 5.133 1.700
250 HG11 VAL 41 1HG1 VAL 41 -11.221 4.094 -0.131
251 HG12 VAL 41 2HG1 VAL 41 -12.560 3.803 0.981
252 HG13 VAL 41 3HG1 VAL 41 -12.102 5.466 0.567
253 HG21 VAL 41 3HG2 VAL 41 -11.865 6.088 2.875
254 HG22 VAL 41 1HG2 VAL 41 -12.269 4.481 3.496
255 HG23 VAL 41 2HG2 VAL 41 -10.753 5.285 3.972
256 H GLY 42 H GLY 42 -7.680 3.623 2.071
257 HA2 GLY 42 1HA GLY 42 -7.244 2.800 -0.701
258 HA3 GLY 42 2HA GLY 42 -6.058 3.496 0.413
259 H GLU 43 H GLU 43 -6.666 1.528 2.606
260 HA GLU 43 HA GLU 43 -5.029 -0.649 1.924
261 HB2 GLU 43 1HB GLU 43 -5.548 -0.170 4.279
262 HB3 GLU 43 2HB GLU 43 -7.254 -0.516 3.992
263 HG2 GLU 43 1HG GLU 43 -6.503 -2.899 3.252
264 HG3 GLU 43 2HG GLU 43 -4.944 -2.497 3.919
265 H GLN 44 H GLN 44 -8.674 -0.530 2.057
266 HA GLN 44 HA GLN 44 -8.884 -3.233 1.263
267 HB2 GLN 44 1HB GLN 44 -10.583 -1.690 2.473
268 HB3 GLN 44 2HB GLN 44 -10.923 -1.004 0.884
269 HG2 GLN 44 1HG GLN 44 -11.368 -3.557 0.224
270 HG3 GLN 44 2HG GLN 44 -11.456 -3.787 1.966
271 HE21 GLN 44 1HE2 GLN 44 -13.727 -4.383 1.792
272 HE22 GLN 44 2HE2 GLN 44 -14.933 -3.158 1.489
273 H ALA 45 H ALA 45 -8.717 -0.191 -0.550
274 HA ALA 45 HA ALA 45 -9.429 -1.362 -3.065
275 HB1 ALA 45 1HB ALA 45 -9.580 1.097 -2.563
276 HB2 ALA 45 2HB ALA 45 -7.812 1.172 -2.456
277 HB3 ALA 45 3HB ALA 45 -8.588 0.778 -4.003
278 H CYS 46 H CYS 46 -6.317 -0.808 -1.374
279 HA CYS 46 HA CYS 46 -4.691 -1.739 -3.588
280 HB2 CYS 46 1HB CYS 46 -3.818 -0.203 -1.949
281 HB3 CYS 46 2HB CYS 46 -4.227 -1.258 -0.625
282 H GLN 47 H GLN 47 -5.702 -3.274 -0.471
283 HA GLN 47 HA GLN 47 -4.760 -5.837 -1.056
284 HB2 GLN 47 1HB GLN 47 -7.103 -4.978 0.700
285 HB3 GLN 47 2HB GLN 47 -6.471 -6.607 0.641
286 HG2 GLN 47 1HG GLN 47 -4.149 -5.540 1.108
287 HG3 GLN 47 2HG GLN 47 -5.069 -4.109 1.581
288 HE21 GLN 47 1HE2 GLN 47 -3.199 -5.667 3.295
289 HE22 GLN 47 2HE2 GLN 47 -4.249 -6.101 4.632
290 H MET 48 H MET 48 -7.402 -4.336 -2.724
291 HA MET 48 HA MET 48 -8.199 -6.999 -3.794
292 HB2 MET 48 1HB MET 48 -9.948 -6.020 -4.973
293 HB3 MET 48 2HB MET 48 -9.999 -5.371 -3.326
294 HG2 MET 48 1HG MET 48 -9.120 -3.311 -3.999
295 HG3 MET 48 2HG MET 48 -8.846 -3.839 -5.668
296 HE1 MET 48 3HE MET 48 -10.814 -4.123 -7.457
297 HE2 MET 48 1HE MET 48 -11.593 -5.321 -6.404
298 HE3 MET 48 2HE MET 48 -12.535 -3.969 -7.053
299 H SER 49 H SER 49 -6.283 -4.120 -4.749
300 HA SER 49 HA SER 49 -5.869 -5.208 -7.435
301 HB2 SER 49 1HB SER 49 -4.921 -2.658 -6.109
302 HB3 SER 49 2HB SER 49 -4.671 -3.096 -7.812
303 HG SER 49 HG SER 49 -7.148 -3.472 -7.593
304 H ALA 50 H ALA 50 -4.323 -5.565 -4.450
305 HA ALA 50 HA ALA 50 -1.636 -5.962 -5.483
306 HB1 ALA 50 1HB ALA 50 -1.187 -6.651 -3.097
307 HB2 ALA 50 2HB ALA 50 -1.968 -5.060 -3.172
308 HB3 ALA 50 3HB ALA 50 -2.917 -6.495 -2.745
309 H GLN 51 H GLN 51 -0.666 -7.971 -5.908
310 HA GLN 51 HA GLN 51 -2.259 -10.415 -5.426
311 HB2 GLN 51 1HB GLN 51 -1.229 -9.516 -8.132
312 HB3 GLN 51 2HB GLN 51 -1.756 -11.159 -7.712
313 HG2 GLN 51 1HG GLN 51 -4.019 -10.321 -7.226
314 HG3 GLN 51 2HG GLN 51 -3.519 -8.670 -7.642
315 HE21 GLN 51 1HE2 GLN 51 -5.562 -10.706 -8.986
316 HE22 GLN 51 2HE2 GLN 51 -5.090 -10.464 -10.644
317 H CYS 52 H CYS 52 -0.771 -10.746 -3.849
318 HA CYS 52 HA CYS 52 2.026 -11.420 -4.589
319 HB2 CYS 52 1HB CYS 52 1.404 -10.432 -2.282
320 HB3 CYS 52 2HB CYS 52 0.642 -11.962 -1.931
Start of MODEL 5
1 H1 ASN 1 H ASN 1 -9.073 8.507 -4.042
2 HA ASN 1 HA ASN 1 -8.296 6.195 -5.730
3 HB2 ASN 1 1HB ASN 1 -7.468 7.615 -7.352
4 HB3 ASN 1 2HB ASN 1 -8.844 8.543 -6.811
5 HD21 ASN 1 1HD2 ASN 1 -8.396 10.679 -6.092
6 HD22 ASN 1 2HD2 ASN 1 -6.832 11.257 -5.615
7 HA PRO 2 HA PRO 2 -4.970 5.451 -3.164
8 HB2 PRO 2 1HB PRO 2 -2.640 5.180 -4.682
9 HB3 PRO 2 2HB PRO 2 -3.993 4.034 -4.540
10 HG2 PRO 2 1HG PRO 2 -3.571 6.094 -6.676
11 HG3 PRO 2 2HG PRO 2 -4.003 4.358 -6.855
12 HD2 PRO 2 1HD PRO 2 -5.840 6.313 -7.003
13 HD3 PRO 2 2HD PRO 2 -6.235 4.771 -6.192
14 H GLU 3 H GLU 3 -4.273 8.438 -5.033
15 HA GLU 3 HA GLU 3 -2.126 9.305 -3.293
16 HB2 GLU 3 1HB GLU 3 -2.581 9.920 -5.734
17 HB3 GLU 3 2HB GLU 3 -3.919 10.914 -5.152
18 HG2 GLU 3 1HG GLU 3 -2.285 12.246 -3.802
19 HG3 GLU 3 2HG GLU 3 -0.987 11.222 -4.395
20 H ASP 4 H ASP 4 -5.599 9.485 -3.455
21 HA ASP 4 HA ASP 4 -6.169 11.484 -1.497
22 HB2 ASP 4 1HB ASP 4 -7.578 9.805 -3.273
23 HB3 ASP 4 2HB ASP 4 -8.154 9.291 -1.736
24 H TRP 5 H TRP 5 -5.063 8.227 -1.294
25 HA TRP 5 HA TRP 5 -6.133 7.885 1.438
26 HB2 TRP 5 1HB TRP 5 -5.377 5.763 -0.531
27 HB3 TRP 5 2HB TRP 5 -5.958 5.524 1.122
28 HD1 TRP 5 HD TRP 5 -8.339 7.532 1.253
29 HE1 TRP 5 1HE TRP 5 -10.466 7.151 -0.071
30 HE3 TRP 5 3HE TRP 5 -6.470 4.385 -2.231
31 HZ2 TRP 5 2HZ TRP 5 -11.238 5.743 -2.492
32 HZ3 TRP 5 3HZ TRP 5 -7.874 3.577 -4.159
33 HH2 TRP 5 HH TRP 5 -10.289 4.233 -4.258
34 H PHE 6 H PHE 6 -3.385 8.873 0.006
35 HA PHE 6 HA PHE 6 -1.254 7.164 0.847
36 HB2 PHE 6 1HB PHE 6 -1.183 8.901 -0.933
37 HB3 PHE 6 2HB PHE 6 -1.341 10.142 0.305
38 HD1 PHE 6 2HD PHE 6 0.806 7.227 -0.673
39 HD2 PHE 6 1HD PHE 6 0.671 11.095 1.230
40 HE1 PHE 6 2HE PHE 6 3.259 7.203 -0.462
41 HE2 PHE 6 1HE PHE 6 3.125 11.057 1.456
42 HZ PHE 6 HZ PHE 6 4.432 9.056 0.705
43 H THR 7 H THR 7 -0.699 6.753 3.089
44 HA THR 7 HA THR 7 -0.821 9.139 4.837
45 HB THR 7 HB THR 7 -1.622 8.074 6.623
46 HG1 THR 7 1HG THR 7 -2.191 5.844 6.665
47 HG21 THR 7 3HG2 THR 7 -3.780 7.362 6.024
48 HG22 THR 7 1HG2 THR 7 -3.278 8.449 4.729
49 HG23 THR 7 2HG2 THR 7 -3.248 6.693 4.493
50 HA PRO 8 HA PRO 8 3.481 8.012 4.214
51 HB2 PRO 8 1HB PRO 8 4.659 10.372 5.018
52 HB3 PRO 8 2HB PRO 8 3.910 10.116 3.422
53 HG2 PRO 8 1HG PRO 8 2.748 11.465 5.865
54 HG3 PRO 8 2HG PRO 8 2.629 11.970 4.151
55 HD2 PRO 8 1HD PRO 8 0.647 10.629 5.489
56 HD3 PRO 8 2HD PRO 8 0.921 10.434 3.726
57 H ASP 9 H ASP 9 2.183 9.348 7.229
58 HA ASP 9 HA ASP 9 4.414 9.248 8.879
59 HB2 ASP 9 1HB ASP 9 1.511 9.516 9.146
60 HB3 ASP 9 2HB ASP 9 2.102 8.525 10.439
61 H THR 10 H THR 10 2.513 6.599 7.768
62 HA THR 10 HA THR 10 3.789 4.776 9.714
63 HB THR 10 HB THR 10 1.344 5.083 9.751
64 HG1 THR 10 1HG THR 10 0.826 2.937 9.850
65 HG21 THR 10 3HG2 THR 10 1.039 5.323 7.250
66 HG22 THR 10 1HG2 THR 10 1.249 3.577 7.118
67 HG23 THR 10 2HG2 THR 10 -0.108 4.247 8.050
68 H CYS 11 H CYS 11 4.299 5.786 6.541
69 HA CYS 11 HA CYS 11 4.820 3.029 5.498
70 HB2 CYS 11 1HB CYS 11 2.883 4.443 4.547
71 HB3 CYS 11 2HB CYS 11 4.101 5.493 3.890
72 H ALA 12 H ALA 12 6.797 2.655 4.570
73 HA ALA 12 HA ALA 12 8.861 4.760 4.843
74 HB1 ALA 12 1HB ALA 12 9.229 2.629 6.036
75 HB2 ALA 12 2HB ALA 12 9.114 1.737 4.492
76 HB3 ALA 12 3HB ALA 12 10.436 2.910 4.775
77 H TYR 13 H TYR 13 7.211 5.376 2.898
78 HA TYR 13 HA TYR 13 8.882 5.165 0.551
79 HB2 TYR 13 1HB TYR 13 5.883 4.572 0.520
80 HB3 TYR 13 2HB TYR 13 6.735 5.162 -0.908
81 HD1 TYR 13 2HD TYR 13 8.610 3.912 -1.880
82 HD2 TYR 13 1HD TYR 13 6.226 2.292 1.289
83 HE1 TYR 13 2HE TYR 13 9.805 1.809 -2.107
84 HE2 TYR 13 1HE TYR 13 7.351 0.109 1.044
85 HH TYR 13 HH TYR 13 9.365 -0.772 0.304
86 H GLY 14 H GLY 14 8.322 6.978 -0.969
87 HA2 GLY 14 1HA GLY 14 7.230 9.301 0.480
88 HA3 GLY 14 2HA GLY 14 8.769 9.365 -0.313
89 H ASP 15 H ASP 15 6.138 7.512 -1.796
90 HA ASP 15 HA ASP 15 5.010 9.748 -3.170
91 HB2 ASP 15 1HB ASP 15 6.834 7.849 -4.670
92 HB3 ASP 15 2HB ASP 15 5.341 8.367 -5.456
93 H SER 16 H SER 16 2.895 9.225 -3.779
94 HA SER 16 HA SER 16 1.746 6.949 -2.613
95 HB2 SER 16 1HB SER 16 0.411 8.855 -2.896
96 HB3 SER 16 2HB SER 16 0.743 8.985 -4.633
97 HG SER 16 HG SER 16 -0.693 6.895 -3.342
98 H ASN 17 H ASN 17 2.933 7.322 -5.990
99 HA ASN 17 HA ASN 17 1.783 4.773 -6.817
100 HB2 ASN 17 1HB ASN 17 2.426 6.584 -8.438
101 HB3 ASN 17 2HB ASN 17 4.126 6.227 -8.084
102 HD21 ASN 17 1HD2 ASN 17 4.971 4.864 -9.667
103 HD22 ASN 17 2HD2 ASN 17 4.073 3.581 -10.461
104 H THR 18 H THR 18 5.166 5.802 -5.842
105 HA THR 18 HA THR 18 6.152 3.253 -6.069
106 HB THR 18 HB THR 18 7.088 5.262 -3.994
107 HG1 THR 18 1HG THR 18 8.172 6.271 -5.624
108 HG21 THR 18 3HG2 THR 18 8.630 3.318 -5.791
109 HG22 THR 18 1HG2 THR 18 9.323 4.378 -4.546
110 HG23 THR 18 2HG2 THR 18 8.269 3.032 -4.085
111 H ALA 19 H ALA 19 4.448 4.665 -3.263
112 HA ALA 19 HA ALA 19 4.702 2.441 -1.490
113 HB1 ALA 19 1HB ALA 19 2.465 4.509 -1.743
114 HB2 ALA 19 2HB ALA 19 2.742 3.413 -0.368
115 HB3 ALA 19 3HB ALA 19 3.928 4.669 -0.759
116 H TRP 20 H TRP 20 1.859 3.353 -3.586
117 HA TRP 20 HA TRP 20 0.353 1.059 -3.162
118 HB2 TRP 20 1HB TRP 20 -0.490 3.099 -4.185
119 HB3 TRP 20 2HB TRP 20 0.548 2.875 -5.590
120 HD1 TRP 20 HD TRP 20 -0.104 0.967 -7.313
121 HE1 TRP 20 1HE TRP 20 -2.361 -0.052 -7.967
122 HE3 TRP 20 3HE TRP 20 -2.745 2.267 -3.171
123 HZ2 TRP 20 2HZ TRP 20 -4.996 -0.299 -6.797
124 HZ3 TRP 20 3HZ TRP 20 -5.166 1.712 -2.980
125 HH2 TRP 20 HH TRP 20 -6.307 0.448 -4.811
126 H THR 21 H THR 21 2.711 1.624 -5.852
127 HA THR 21 HA THR 21 2.409 -0.835 -7.143
128 HB THR 21 HB THR 21 5.001 0.723 -6.860
129 HG1 THR 21 1HG THR 21 2.716 1.244 -8.467
130 HG21 THR 21 3HG2 THR 21 5.213 -1.404 -8.067
131 HG22 THR 21 1HG2 THR 21 3.818 -0.970 -9.095
132 HG23 THR 21 2HG2 THR 21 5.322 -0.029 -9.190
133 H THR 22 H THR 22 4.778 0.051 -4.460
134 HA THR 22 HA THR 22 5.842 -2.572 -4.295
135 HB THR 22 HB THR 22 5.578 -0.478 -2.098
136 HG1 THR 22 1HG THR 22 6.773 0.462 -3.527
137 HG21 THR 22 3HG2 THR 22 7.622 -1.761 -1.241
138 HG22 THR 22 1HG2 THR 22 6.086 -2.586 -1.086
139 HG23 THR 22 2HG2 THR 22 7.191 -3.049 -2.385
140 H CYS 23 H CYS 23 3.060 -1.101 -2.487
141 HA CYS 23 HA CYS 23 2.464 -3.464 -1.025
142 HB2 CYS 23 1HB CYS 23 0.459 -1.446 -2.037
143 HB3 CYS 23 2HB CYS 23 0.338 -2.483 -0.630
144 H THR 24 H THR 24 2.180 -3.091 -4.420
145 HA THR 24 HA THR 24 0.182 -5.279 -4.521
146 HB THR 24 HB THR 24 -0.529 -4.274 -6.708
147 HG1 THR 24 1HG THR 24 0.813 -1.987 -5.736
148 HG21 THR 24 3HG2 THR 24 -0.887 -2.355 -4.366
149 HG22 THR 24 1HG2 THR 24 -1.897 -2.463 -5.815
150 HG23 THR 24 2HG2 THR 24 -1.869 -3.783 -4.647
151 H THR 25 H THR 25 3.411 -5.027 -4.632
152 HA THR 25 HA THR 25 3.668 -6.976 -6.824
153 HB THR 25 HB THR 25 5.779 -5.809 -7.521
154 HG1 THR 25 1HG THR 25 4.746 -3.662 -6.038
155 HG21 THR 25 3HG2 THR 25 3.289 -4.051 -7.836
156 HG22 THR 25 1HG2 THR 25 4.762 -3.981 -8.809
157 HG23 THR 25 2HG2 THR 25 3.745 -5.428 -8.867
158 HA PRO 26 HA PRO 26 5.856 -9.160 -3.777
159 HB2 PRO 26 1HB PRO 26 7.947 -10.423 -5.022
160 HB3 PRO 26 2HB PRO 26 6.234 -10.868 -5.264
161 HG2 PRO 26 1HG PRO 26 7.946 -9.055 -6.994
162 HG3 PRO 26 2HG PRO 26 6.902 -10.408 -7.524
163 HD2 PRO 26 1HD PRO 26 6.022 -7.866 -7.635
164 HD3 PRO 26 2HD PRO 26 4.918 -9.152 -7.078
165 H GLY 27 H GLY 27 6.766 -7.999 -2.198
166 HA2 GLY 27 1HA GLY 27 9.588 -7.370 -2.199
167 HA3 GLY 27 2HA GLY 27 8.532 -5.938 -2.104
168 H GLN 28 H GLN 28 9.866 -6.124 0.134
169 HA GLN 28 HA GLN 28 9.258 -8.151 1.957
170 HB2 GLN 28 1HB GLN 28 10.125 -6.730 3.698
171 HB3 GLN 28 2HB GLN 28 11.183 -6.697 2.313
172 HG2 GLN 28 1HG GLN 28 9.125 -4.487 2.593
173 HG3 GLN 28 2HG GLN 28 10.448 -4.536 3.730
174 HE21 GLN 28 1HE2 GLN 28 11.577 -5.586 0.491
175 HE22 GLN 28 2HE2 GLN 28 12.021 -3.946 0.030
176 H THR 29 H THR 29 7.155 -5.607 1.014
177 HA THR 29 HA THR 29 5.108 -6.507 2.860
178 HB THR 29 HB THR 29 4.470 -4.214 3.531
179 HG1 THR 29 1HG THR 29 6.641 -3.504 2.015
180 HG21 THR 29 3HG2 THR 29 5.798 -5.626 5.089
181 HG22 THR 29 1HG2 THR 29 7.281 -4.843 4.502
182 HG23 THR 29 2HG2 THR 29 6.037 -3.894 5.318
183 H CYS 30 H CYS 30 4.180 -7.381 1.001
184 HA CYS 30 HA CYS 30 3.486 -5.622 -1.285
185 HB2 CYS 30 1HB CYS 30 4.315 -7.877 -1.809
186 HB3 CYS 30 2HB CYS 30 3.011 -8.586 -0.866
187 H TYR 31 H TYR 31 0.974 -7.613 -1.030
188 HA TYR 31 HA TYR 31 -1.157 -6.312 -0.392
189 HB2 TYR 31 1HB TYR 31 -0.965 -8.755 -0.726
190 HB3 TYR 31 2HB TYR 31 -0.393 -8.949 0.925
191 HD1 TYR 31 1HD TYR 31 -1.948 -8.388 2.864
192 HD2 TYR 31 2HD TYR 31 -3.319 -8.666 -1.218
193 HE1 TYR 31 1HE TYR 31 -4.228 -8.666 3.668
194 HE2 TYR 31 2HE TYR 31 -5.624 -8.903 -0.430
195 HH TYR 31 HH TYR 31 -6.521 -8.718 3.052
196 H THR 32 H THR 32 0.935 -7.324 2.379
197 HA THR 32 HA THR 32 -0.747 -6.181 4.353
198 HB THR 32 HB THR 32 2.239 -6.446 4.680
199 HG1 THR 32 1HG THR 32 0.394 -8.632 4.477
200 HG21 THR 32 3HG2 THR 32 1.603 -7.215 6.878
201 HG22 THR 32 1HG2 THR 32 0.728 -5.722 6.549
202 HG23 THR 32 2HG2 THR 32 -0.140 -7.265 6.407
203 H CYS 33 H CYS 33 1.815 -4.676 2.397
204 HA CYS 33 HA CYS 33 2.215 -2.233 3.806
205 HB2 CYS 33 1HB CYS 33 3.771 -2.799 2.177
206 HB3 CYS 33 2HB CYS 33 2.573 -3.153 0.979
207 H CYS 34 H CYS 34 -0.340 -3.370 1.541
208 HA CYS 34 HA CYS 34 -1.645 -1.046 0.826
209 HB2 CYS 34 1HB CYS 34 -2.827 -3.606 1.753
210 HB3 CYS 34 2HB CYS 34 -3.691 -2.327 0.962
211 H SER 35 H SER 35 -1.818 -2.806 3.876
212 HA SER 35 HA SER 35 -3.853 -1.069 5.135
213 HB2 SER 35 1HB SER 35 -3.852 -3.544 5.470
214 HB3 SER 35 2HB SER 35 -2.231 -3.448 6.155
215 HG SER 35 HG SER 35 -4.576 -2.258 7.244
216 H SER 36 H SER 36 -0.388 -1.703 5.191
217 HA SER 36 HA SER 36 0.081 -0.104 7.592
218 HB2 SER 36 1HB SER 36 2.127 -1.453 5.794
219 HB3 SER 36 2HB SER 36 2.263 -1.052 7.516
220 HG SER 36 HG SER 36 0.566 -3.013 6.303
221 H CYS 37 H CYS 37 -0.681 1.072 4.748
222 HA CYS 37 HA CYS 37 1.261 3.309 4.778
223 HB2 CYS 37 1HB CYS 37 0.693 1.401 2.489
224 HB3 CYS 37 2HB CYS 37 1.273 3.034 2.195
225 H PHE 38 H PHE 38 -2.023 2.241 4.440
226 HA PHE 38 HA PHE 38 -2.829 4.878 3.440
227 HB2 PHE 38 1HB PHE 38 -4.072 2.290 2.477
228 HB3 PHE 38 2HB PHE 38 -4.428 3.916 1.927
229 HD1 PHE 38 2HD PHE 38 -1.792 5.077 1.357
230 HD2 PHE 38 1HD PHE 38 -3.229 1.089 0.608
231 HE1 PHE 38 2HE PHE 38 0.143 4.665 -0.137
232 HE2 PHE 38 1HE PHE 38 -1.375 0.751 -1.022
233 HZ PHE 38 HZ PHE 38 0.337 2.509 -1.340
234 H ASP 39 H ASP 39 -5.094 5.296 3.993
235 HA ASP 39 HA ASP 39 -5.826 4.251 6.628
236 HB2 ASP 39 1HB ASP 39 -7.571 5.653 4.592
237 HB3 ASP 39 2HB ASP 39 -8.017 5.342 6.251
238 H VAL 40 H VAL 40 -7.965 3.159 6.884
239 HA VAL 40 HA VAL 40 -8.267 0.771 5.709
240 HB VAL 40 HB VAL 40 -9.320 1.457 7.741
241 HG11 VAL 40 1HG1 VAL 40 -11.201 3.225 6.103
242 HG12 VAL 40 2HG1 VAL 40 -11.325 2.890 7.838
243 HG13 VAL 40 3HG1 VAL 40 -9.950 3.803 7.217
244 HG21 VAL 40 3HG2 VAL 40 -11.455 0.741 5.731
245 HG22 VAL 40 1HG2 VAL 40 -10.299 -0.404 6.445
246 HG23 VAL 40 2HG2 VAL 40 -11.487 0.424 7.480
247 H VAL 41 H VAL 41 -9.376 3.811 4.201
248 HA VAL 41 HA VAL 41 -11.158 2.520 2.327
249 HB VAL 41 HB VAL 41 -9.926 5.300 2.058
250 HG11 VAL 41 1HG1 VAL 41 -12.673 4.144 1.327
251 HG12 VAL 41 2HG1 VAL 41 -12.138 5.808 1.031
252 HG13 VAL 41 3HG1 VAL 41 -11.352 4.467 0.184
253 HG21 VAL 41 3HG2 VAL 41 -12.241 4.434 3.867
254 HG22 VAL 41 1HG2 VAL 41 -10.747 5.279 4.357
255 HG23 VAL 41 2HG2 VAL 41 -11.945 6.103 3.380
256 H GLY 42 H GLY 42 -7.709 3.467 2.325
257 HA2 GLY 42 1HA GLY 42 -7.443 2.790 -0.546
258 HA3 GLY 42 2HA GLY 42 -6.188 3.444 0.504
259 H GLU 43 H GLU 43 -6.824 1.505 2.676
260 HA GLU 43 HA GLU 43 -5.137 -0.621 2.207
261 HB2 GLU 43 1HB GLU 43 -5.847 -0.089 4.427
262 HB3 GLU 43 2HB GLU 43 -7.529 -0.272 3.996
263 HG2 GLU 43 1HG GLU 43 -6.295 -2.823 3.504
264 HG3 GLU 43 2HG GLU 43 -5.735 -2.267 5.051
265 H GLN 44 H GLN 44 -8.811 -0.922 2.069
266 HA GLN 44 HA GLN 44 -8.498 -3.549 1.110
267 HB2 GLN 44 1HB GLN 44 -10.552 -2.503 2.247
268 HB3 GLN 44 2HB GLN 44 -10.989 -1.854 0.649
269 HG2 GLN 44 1HG GLN 44 -10.705 -4.283 -0.211
270 HG3 GLN 44 2HG GLN 44 -10.581 -4.764 1.473
271 HE21 GLN 44 1HE2 GLN 44 -12.522 -4.556 2.817
272 HE22 GLN 44 2HE2 GLN 44 -14.105 -4.471 2.061
273 H ALA 45 H ALA 45 -8.841 -0.419 -0.562
274 HA ALA 45 HA ALA 45 -9.411 -1.533 -3.101
275 HB1 ALA 45 1HB ALA 45 -8.715 0.681 -3.998
276 HB2 ALA 45 2HB ALA 45 -9.745 0.854 -2.570
277 HB3 ALA 45 3HB ALA 45 -7.993 1.098 -2.423
278 H CYS 46 H CYS 46 -6.350 -0.716 -1.449
279 HA CYS 46 HA CYS 46 -4.619 -1.539 -3.596
280 HB2 CYS 46 1HB CYS 46 -3.830 -0.049 -1.889
281 HB3 CYS 46 2HB CYS 46 -4.241 -1.165 -0.618
282 H GLN 47 H GLN 47 -5.619 -3.242 -0.534
283 HA GLN 47 HA GLN 47 -4.358 -5.644 -1.120
284 HB2 GLN 47 1HB GLN 47 -6.898 -5.128 0.485
285 HB3 GLN 47 2HB GLN 47 -6.132 -6.683 0.393
286 HG2 GLN 47 1HG GLN 47 -3.943 -5.589 1.088
287 HG3 GLN 47 2HG GLN 47 -4.896 -4.123 1.403
288 HE21 GLN 47 1HE2 GLN 47 -3.168 -5.764 3.245
289 HE22 GLN 47 2HE2 GLN 47 -4.272 -6.160 4.562
290 H MET 48 H MET 48 -7.569 -4.618 -2.323
291 HA MET 48 HA MET 48 -7.965 -7.142 -3.686
292 HB2 MET 48 1HB MET 48 -9.926 -6.288 -4.490
293 HB3 MET 48 2HB MET 48 -9.778 -5.587 -2.877
294 HG2 MET 48 1HG MET 48 -9.775 -3.500 -3.624
295 HG3 MET 48 2HG MET 48 -8.781 -3.832 -5.030
296 HE1 MET 48 3HE MET 48 -11.695 -1.880 -4.719
297 HE2 MET 48 1HE MET 48 -10.254 -1.829 -5.748
298 HE3 MET 48 2HE MET 48 -11.867 -2.005 -6.478
299 H SER 49 H SER 49 -6.165 -4.334 -4.472
300 HA SER 49 HA SER 49 -5.942 -5.054 -7.338
301 HB2 SER 49 1HB SER 49 -6.156 -2.655 -6.499
302 HB3 SER 49 2HB SER 49 -4.522 -2.823 -5.844
303 HG SER 49 HG SER 49 -5.340 -3.093 -8.569
304 H ALA 50 H ALA 50 -4.340 -5.596 -4.314
305 HA ALA 50 HA ALA 50 -1.681 -5.933 -5.274
306 HB1 ALA 50 1HB ALA 50 -1.270 -6.759 -2.949
307 HB2 ALA 50 2HB ALA 50 -2.203 -5.259 -2.902
308 HB3 ALA 50 3HB ALA 50 -3.015 -6.816 -2.662
309 H GLN 51 H GLN 51 -0.461 -7.834 -5.475
310 HA GLN 51 HA GLN 51 -1.593 -10.435 -5.608
311 HB2 GLN 51 1HB GLN 51 -1.128 -10.562 -8.101
312 HB3 GLN 51 2HB GLN 51 -2.639 -9.803 -7.555
313 HG2 GLN 51 1HG GLN 51 -1.768 -7.577 -7.946
314 HG3 GLN 51 2HG GLN 51 -0.178 -8.268 -8.216
315 HE21 GLN 51 1HE2 GLN 51 -3.400 -7.683 -9.602
316 HE22 GLN 51 2HE2 GLN 51 -2.969 -8.108 -11.229
317 H CYS 52 H CYS 52 0.060 -11.545 -4.820
318 HA CYS 52 HA CYS 52 2.837 -10.965 -5.574
319 HB2 CYS 52 1HB CYS 52 2.980 -12.103 -3.119
320 HB3 CYS 52 2HB CYS 52 3.159 -10.387 -3.428
Start of MODEL 6
1 H1 ASN 1 H ASN 1 -8.786 8.543 -4.842
2 HA ASN 1 HA ASN 1 -7.715 6.467 -6.647
3 HB2 ASN 1 1HB ASN 1 -6.225 8.082 -7.653
4 HB3 ASN 1 2HB ASN 1 -7.877 8.611 -7.862
5 HD21 ASN 1 1HD2 ASN 1 -7.215 10.816 -8.214
6 HD22 ASN 1 2HD2 ASN 1 -6.524 11.756 -6.911
7 HA PRO 2 HA PRO 2 -4.935 5.877 -3.412
8 HB2 PRO 2 1HB PRO 2 -2.605 4.901 -4.576
9 HB3 PRO 2 2HB PRO 2 -4.153 4.030 -4.385
10 HG2 PRO 2 1HG PRO 2 -3.074 5.382 -6.817
11 HG3 PRO 2 2HG PRO 2 -3.966 3.844 -6.692
12 HD2 PRO 2 1HD PRO 2 -5.115 6.263 -7.410
13 HD3 PRO 2 2HD PRO 2 -6.020 4.922 -6.643
14 H GLU 3 H GLU 3 -4.588 8.742 -4.914
15 HA GLU 3 HA GLU 3 -2.056 9.486 -3.539
16 HB2 GLU 3 1HB GLU 3 -4.031 11.075 -5.234
17 HB3 GLU 3 2HB GLU 3 -2.644 11.770 -4.408
18 HG2 GLU 3 1HG GLU 3 -1.139 10.997 -5.939
19 HG3 GLU 3 2HG GLU 3 -1.957 9.454 -6.153
20 H ASP 4 H ASP 4 -5.587 9.999 -3.607
21 HA ASP 4 HA ASP 4 -5.873 11.659 -1.399
22 HB2 ASP 4 1HB ASP 4 -7.671 9.692 -2.814
23 HB3 ASP 4 2HB ASP 4 -8.237 10.439 -1.347
24 H TRP 5 H TRP 5 -5.209 8.246 -1.345
25 HA TRP 5 HA TRP 5 -6.224 7.987 1.453
26 HB2 TRP 5 1HB TRP 5 -5.528 5.915 -0.559
27 HB3 TRP 5 2HB TRP 5 -6.278 5.646 1.028
28 HD1 TRP 5 HD TRP 5 -8.575 7.841 0.855
29 HE1 TRP 5 1HE TRP 5 -10.573 7.420 -0.706
30 HE3 TRP 5 3HE TRP 5 -6.373 4.591 -2.323
31 HZ2 TRP 5 2HZ TRP 5 -11.022 6.057 -3.206
32 HZ3 TRP 5 3HZ TRP 5 -7.597 3.678 -4.330
33 HH2 TRP 5 HH TRP 5 -9.943 4.405 -4.761
34 H PHE 6 H PHE 6 -3.384 8.828 0.138
35 HA PHE 6 HA PHE 6 -1.473 6.938 1.122
36 HB2 PHE 6 1HB PHE 6 -1.229 8.442 -0.820
37 HB3 PHE 6 2HB PHE 6 -1.294 9.834 0.245
38 HD1 PHE 6 2HD PHE 6 0.675 6.855 -0.686
39 HD2 PHE 6 1HD PHE 6 0.676 10.621 1.399
40 HE1 PHE 6 2HE PHE 6 3.170 6.770 -0.517
41 HE2 PHE 6 1HE PHE 6 3.139 10.515 1.594
42 HZ PHE 6 HZ PHE 6 4.380 8.602 0.613
43 H THR 7 H THR 7 -0.801 6.702 3.261
44 HA THR 7 HA THR 7 -0.984 9.034 5.107
45 HB THR 7 HB THR 7 -1.491 7.382 6.863
46 HG1 THR 7 1HG THR 7 -0.650 5.624 5.565
47 HG21 THR 7 3HG2 THR 7 -3.822 6.980 6.269
48 HG22 THR 7 1HG2 THR 7 -3.339 8.621 5.789
49 HG23 THR 7 2HG2 THR 7 -3.490 7.346 4.567
50 HA PRO 8 HA PRO 8 3.373 7.799 4.636
51 HB2 PRO 8 1HB PRO 8 4.611 10.100 5.321
52 HB3 PRO 8 2HB PRO 8 3.726 9.889 3.789
53 HG2 PRO 8 1HG PRO 8 2.651 11.111 6.363
54 HG3 PRO 8 2HG PRO 8 2.607 11.789 4.704
55 HD2 PRO 8 1HD PRO 8 0.485 10.502 5.668
56 HD3 PRO 8 2HD PRO 8 0.992 10.265 3.971
57 H ASP 9 H ASP 9 1.909 8.830 7.739
58 HA ASP 9 HA ASP 9 4.141 8.673 9.391
59 HB2 ASP 9 1HB ASP 9 1.209 8.000 9.794
60 HB3 ASP 9 2HB ASP 9 2.364 7.812 11.067
61 H THR 10 H THR 10 2.310 6.047 7.966
62 HA THR 10 HA THR 10 3.788 4.088 9.593
63 HB THR 10 HB THR 10 1.442 3.958 9.707
64 HG1 THR 10 1HG THR 10 2.609 1.840 9.138
65 HG21 THR 10 3HG2 THR 10 1.378 4.061 6.686
66 HG22 THR 10 1HG2 THR 10 -0.005 3.504 7.640
67 HG23 THR 10 2HG2 THR 10 0.583 5.148 7.849
68 H CYS 11 H CYS 11 4.289 5.575 6.598
69 HA CYS 11 HA CYS 11 5.007 3.023 5.232
70 HB2 CYS 11 1HB CYS 11 3.014 4.496 4.523
71 HB3 CYS 11 2HB CYS 11 4.203 5.617 3.950
72 H ALA 12 H ALA 12 6.863 2.965 3.885
73 HA ALA 12 HA ALA 12 9.025 4.630 4.957
74 HB1 ALA 12 1HB ALA 12 9.204 2.173 4.916
75 HB2 ALA 12 2HB ALA 12 9.052 2.181 3.132
76 HB3 ALA 12 3HB ALA 12 10.459 2.925 3.924
77 H TYR 13 H TYR 13 6.990 5.096 2.360
78 HA TYR 13 HA TYR 13 9.109 6.324 0.680
79 HB2 TYR 13 1HB TYR 13 6.589 4.879 -0.219
80 HB3 TYR 13 2HB TYR 13 7.697 5.676 -1.309
81 HD1 TYR 13 1HD TYR 13 10.361 4.887 -0.796
82 HD2 TYR 13 2HD TYR 13 6.783 2.607 -0.099
83 HE1 TYR 13 1HE TYR 13 11.705 2.831 -0.636
84 HE2 TYR 13 2HE TYR 13 8.093 0.537 0.025
85 HH TYR 13 HH TYR 13 11.584 0.425 -0.638
86 H GLY 14 H GLY 14 8.267 8.110 -0.643
87 HA2 GLY 14 1HA GLY 14 6.263 9.710 0.873
88 HA3 GLY 14 2HA GLY 14 7.604 10.339 -0.060
89 H ASP 15 H ASP 15 6.494 7.841 -2.019
90 HA ASP 15 HA ASP 15 4.594 9.677 -3.388
91 HB2 ASP 15 1HB ASP 15 5.658 7.445 -5.022
92 HB3 ASP 15 2HB ASP 15 5.265 9.074 -5.474
93 H SER 16 H SER 16 2.623 9.037 -3.691
94 HA SER 16 HA SER 16 1.512 6.688 -2.617
95 HB2 SER 16 1HB SER 16 -0.302 7.533 -4.426
96 HB3 SER 16 2HB SER 16 -0.070 8.304 -2.849
97 HG SER 16 HG SER 16 0.494 10.051 -3.840
98 H ASN 17 H ASN 17 2.930 7.357 -5.801
99 HA ASN 17 HA ASN 17 1.851 4.987 -7.081
100 HB2 ASN 17 1HB ASN 17 4.179 6.840 -7.766
101 HB3 ASN 17 2HB ASN 17 3.828 5.374 -8.673
102 HD21 ASN 17 1HD2 ASN 17 1.734 5.229 -9.933
103 HD22 ASN 17 2HD2 ASN 17 0.868 6.707 -10.235
104 H THR 18 H THR 18 5.173 5.824 -5.857
105 HA THR 18 HA THR 18 6.204 3.332 -6.049
106 HB THR 18 HB THR 18 6.800 5.445 -3.943
107 HG1 THR 18 1HG THR 18 7.863 6.424 -5.438
108 HG21 THR 18 3HG2 THR 18 9.123 4.580 -3.997
109 HG22 THR 18 1HG2 THR 18 7.996 3.361 -3.386
110 HG23 THR 18 2HG2 THR 18 8.606 3.242 -5.046
111 H ALA 19 H ALA 19 4.519 4.690 -3.158
112 HA ALA 19 HA ALA 19 4.954 2.512 -1.492
113 HB1 ALA 19 1HB ALA 19 2.672 4.512 -1.497
114 HB2 ALA 19 2HB ALA 19 3.057 3.375 -0.185
115 HB3 ALA 19 3HB ALA 19 4.227 4.629 -0.633
116 H TRP 20 H TRP 20 1.951 3.308 -3.412
117 HA TRP 20 HA TRP 20 0.440 1.000 -2.907
118 HB2 TRP 20 1HB TRP 20 -0.416 3.003 -4.018
119 HB3 TRP 20 2HB TRP 20 0.615 2.713 -5.408
120 HD1 TRP 20 HD TRP 20 -0.037 0.593 -6.988
121 HE1 TRP 20 1HE TRP 20 -2.316 -0.464 -7.526
122 HE3 TRP 20 3HE TRP 20 -2.649 2.241 -2.941
123 HZ2 TRP 20 2HZ TRP 20 -4.978 -0.463 -6.414
124 HZ3 TRP 20 3HZ TRP 20 -5.072 1.779 -2.736
125 HH2 TRP 20 HH TRP 20 -6.257 0.489 -4.526
126 H THR 21 H THR 21 2.881 1.597 -5.475
127 HA THR 21 HA THR 21 2.491 -0.852 -6.879
128 HB THR 21 HB THR 21 5.067 0.760 -6.715
129 HG1 THR 21 1HG THR 21 3.458 2.150 -7.195
130 HG21 THR 21 3HG2 THR 21 3.820 -0.840 -8.997
131 HG22 THR 21 1HG2 THR 21 5.372 0.017 -9.036
132 HG23 THR 21 2HG2 THR 21 5.184 -1.406 -7.998
133 H THR 22 H THR 22 4.808 0.055 -4.229
134 HA THR 22 HA THR 22 6.009 -2.453 -3.958
135 HB THR 22 HB THR 22 5.394 -0.488 -1.720
136 HG1 THR 22 1HG THR 22 6.470 0.567 -3.402
137 HG21 THR 22 3HG2 THR 22 7.432 -1.417 -0.711
138 HG22 THR 22 1HG2 THR 22 6.258 -2.703 -0.971
139 HG23 THR 22 2HG2 THR 22 7.638 -2.521 -2.075
140 H CYS 23 H CYS 23 3.028 -1.178 -2.298
141 HA CYS 23 HA CYS 23 2.432 -3.590 -0.931
142 HB2 CYS 23 1HB CYS 23 0.377 -1.653 -1.993
143 HB3 CYS 23 2HB CYS 23 0.270 -2.713 -0.606
144 H THR 24 H THR 24 2.006 -2.989 -4.370
145 HA THR 24 HA THR 24 -0.017 -5.164 -4.444
146 HB THR 24 HB THR 24 -0.662 -4.133 -6.647
147 HG1 THR 24 1HG THR 24 0.735 -1.898 -5.622
148 HG21 THR 24 3HG2 THR 24 -0.972 -2.329 -4.208
149 HG22 THR 24 1HG2 THR 24 -2.015 -2.393 -5.642
150 HG23 THR 24 2HG2 THR 24 -1.952 -3.770 -4.539
151 H THR 25 H THR 25 3.207 -5.041 -4.793
152 HA THR 25 HA THR 25 3.227 -7.110 -6.928
153 HB THR 25 HB THR 25 5.350 -6.085 -7.715
154 HG1 THR 25 1HG THR 25 4.697 -3.828 -6.160
155 HG21 THR 25 3HG2 THR 25 4.477 -4.180 -8.904
156 HG22 THR 25 1HG2 THR 25 3.230 -5.442 -8.848
157 HG23 THR 25 2HG2 THR 25 3.107 -4.026 -7.782
158 HA PRO 26 HA PRO 26 5.610 -9.379 -3.962
159 HB2 PRO 26 1HB PRO 26 7.641 -10.602 -5.353
160 HB3 PRO 26 2HB PRO 26 5.922 -11.093 -5.459
161 HG2 PRO 26 1HG PRO 26 7.457 -9.269 -7.335
162 HG3 PRO 26 2HG PRO 26 6.395 -10.649 -7.755
163 HD2 PRO 26 1HD PRO 26 5.498 -8.104 -7.827
164 HD3 PRO 26 2HD PRO 26 4.442 -9.411 -7.262
165 H GLY 27 H GLY 27 7.024 -8.809 -2.458
166 HA2 GLY 27 1HA GLY 27 9.619 -7.742 -2.681
167 HA3 GLY 27 2HA GLY 27 8.485 -6.400 -2.578
168 H GLN 28 H GLN 28 9.675 -6.063 -0.435
169 HA GLN 28 HA GLN 28 9.528 -8.041 1.600
170 HB2 GLN 28 1HB GLN 28 10.341 -6.430 3.111
171 HB3 GLN 28 2HB GLN 28 11.257 -6.359 1.621
172 HG2 GLN 28 1HG GLN 28 9.245 -4.364 2.704
173 HG3 GLN 28 2HG GLN 28 10.994 -4.181 2.622
174 HE21 GLN 28 1HE2 GLN 28 11.396 -5.050 -0.232
175 HE22 GLN 28 2HE2 GLN 28 10.539 -3.825 -1.170
176 H THR 29 H THR 29 7.115 -5.741 0.584
177 HA THR 29 HA THR 29 5.251 -6.675 2.624
178 HB THR 29 HB THR 29 4.595 -4.338 3.165
179 HG1 THR 29 1HG THR 29 5.999 -3.504 1.409
180 HG21 THR 29 3HG2 THR 29 7.368 -4.952 4.203
181 HG22 THR 29 1HG2 THR 29 6.116 -3.936 4.948
182 HG23 THR 29 2HG2 THR 29 5.843 -5.678 4.798
183 H CYS 30 H CYS 30 4.281 -7.567 0.739
184 HA CYS 30 HA CYS 30 3.301 -5.730 -1.372
185 HB2 CYS 30 1HB CYS 30 4.048 -7.985 -2.016
186 HB3 CYS 30 2HB CYS 30 2.825 -8.692 -0.957
187 H TYR 31 H TYR 31 0.853 -7.706 -0.860
188 HA TYR 31 HA TYR 31 -1.245 -6.503 0.039
189 HB2 TYR 31 1HB TYR 31 -0.986 -8.922 -0.314
190 HB3 TYR 31 2HB TYR 31 -0.104 -9.080 1.204
191 HD1 TYR 31 2HD TYR 31 -3.417 -8.338 -0.258
192 HD2 TYR 31 1HD TYR 31 -1.217 -9.223 3.303
193 HE1 TYR 31 2HE TYR 31 -5.565 -8.747 0.883
194 HE2 TYR 31 1HE TYR 31 -3.325 -9.811 4.465
195 HH TYR 31 HH TYR 31 -6.482 -8.975 3.200
196 H THR 32 H THR 32 1.220 -7.452 2.562
197 HA THR 32 HA THR 32 -0.405 -6.339 4.630
198 HB THR 32 HB THR 32 2.592 -6.859 4.759
199 HG1 THR 32 1HG THR 32 1.174 -8.877 5.712
200 HG21 THR 32 3HG2 THR 32 1.857 -5.749 6.689
201 HG22 THR 32 1HG2 THR 32 0.272 -6.560 6.676
202 HG23 THR 32 2HG2 THR 32 1.767 -7.450 7.157
203 H CYS 33 H CYS 33 1.900 -4.803 2.501
204 HA CYS 33 HA CYS 33 2.262 -2.315 3.920
205 HB2 CYS 33 1HB CYS 33 3.835 -2.690 2.331
206 HB3 CYS 33 2HB CYS 33 2.737 -3.321 1.144
207 H CYS 34 H CYS 34 -0.354 -3.688 1.770
208 HA CYS 34 HA CYS 34 -1.662 -1.318 1.058
209 HB2 CYS 34 1HB CYS 34 -2.812 -3.911 1.848
210 HB3 CYS 34 2HB CYS 34 -3.729 -2.609 1.158
211 H SER 35 H SER 35 -1.640 -3.046 4.104
212 HA SER 35 HA SER 35 -3.626 -1.297 5.377
213 HB2 SER 35 1HB SER 35 -3.508 -3.786 5.734
214 HB3 SER 35 2HB SER 35 -1.952 -3.559 6.548
215 HG SER 35 HG SER 35 -2.907 -2.815 8.212
216 H SER 36 H SER 36 -0.069 -1.960 5.621
217 HA SER 36 HA SER 36 0.151 0.202 7.617
218 HB2 SER 36 1HB SER 36 2.470 -0.702 7.895
219 HB3 SER 36 2HB SER 36 1.143 -1.753 8.360
220 HG SER 36 HG SER 36 1.411 -2.910 6.425
221 H CYS 37 H CYS 37 -0.531 1.138 5.089
222 HA CYS 37 HA CYS 37 1.584 3.120 4.734
223 HB2 CYS 37 1HB CYS 37 1.139 0.976 2.717
224 HB3 CYS 37 2HB CYS 37 1.334 2.598 2.098
225 H PHE 38 H PHE 38 -1.820 2.169 4.355
226 HA PHE 38 HA PHE 38 -2.475 4.845 3.221
227 HB2 PHE 38 1HB PHE 38 -3.269 2.112 2.230
228 HB3 PHE 38 2HB PHE 38 -4.347 3.443 2.088
229 HD1 PHE 38 2HD PHE 38 -0.573 3.245 1.280
230 HD2 PHE 38 1HD PHE 38 -4.551 4.123 -0.013
231 HE1 PHE 38 2HE PHE 38 0.293 3.897 -0.904
232 HE2 PHE 38 1HE PHE 38 -3.679 4.878 -2.157
233 HZ PHE 38 HZ PHE 38 -1.233 4.797 -2.639
234 H ASP 39 H ASP 39 -4.699 5.461 3.560
235 HA ASP 39 HA ASP 39 -5.935 4.825 6.128
236 HB2 ASP 39 1HB ASP 39 -7.253 5.946 3.628
237 HB3 ASP 39 2HB ASP 39 -7.954 5.910 5.200
238 H VAL 40 H VAL 40 -8.032 3.867 6.322
239 HA VAL 40 HA VAL 40 -8.493 1.370 5.510
240 HB VAL 40 HB VAL 40 -9.627 2.392 7.301
241 HG11 VAL 40 1HG1 VAL 40 -11.200 4.222 5.442
242 HG12 VAL 40 2HG1 VAL 40 -11.296 4.134 7.197
243 HG13 VAL 40 3HG1 VAL 40 -9.832 4.759 6.435
244 HG21 VAL 40 3HG2 VAL 40 -11.777 1.851 5.222
245 HG22 VAL 40 1HG2 VAL 40 -10.872 0.593 6.092
246 HG23 VAL 40 2HG2 VAL 40 -11.924 1.714 6.991
247 H VAL 41 H VAL 41 -9.818 4.245 3.753
248 HA VAL 41 HA VAL 41 -11.358 2.767 1.923
249 HB VAL 41 HB VAL 41 -10.112 5.501 1.433
250 HG11 VAL 41 1HG1 VAL 41 -12.180 5.890 0.158
251 HG12 VAL 41 2HG1 VAL 41 -11.272 4.530 -0.501
252 HG13 VAL 41 3HG1 VAL 41 -12.720 4.243 0.493
253 HG21 VAL 41 3HG2 VAL 41 -12.558 4.721 3.091
254 HG22 VAL 41 1HG2 VAL 41 -11.156 5.690 3.609
255 HG23 VAL 41 2HG2 VAL 41 -12.298 6.349 2.454
256 H GLY 42 H GLY 42 -7.930 3.677 1.882
257 HA2 GLY 42 1HA GLY 42 -7.589 2.790 -0.908
258 HA3 GLY 42 2HA GLY 42 -6.416 3.585 0.142
259 H GLU 43 H GLU 43 -6.737 1.800 2.431
260 HA GLU 43 HA GLU 43 -5.122 -0.410 1.952
261 HB2 GLU 43 1HB GLU 43 -5.515 0.394 4.163
262 HB3 GLU 43 2HB GLU 43 -7.253 0.159 4.051
263 HG2 GLU 43 1HG GLU 43 -5.423 -2.238 3.782
264 HG3 GLU 43 2HG GLU 43 -5.709 -1.542 5.363
265 H GLN 44 H GLN 44 -8.751 -0.332 2.082
266 HA GLN 44 HA GLN 44 -9.071 -3.064 1.414
267 HB2 GLN 44 1HB GLN 44 -10.788 -1.681 2.528
268 HB3 GLN 44 2HB GLN 44 -10.810 -0.546 1.174
269 HG2 GLN 44 1HG GLN 44 -11.729 -2.323 -0.298
270 HG3 GLN 44 2HG GLN 44 -11.733 -3.435 1.077
271 HE21 GLN 44 1HE2 GLN 44 -12.869 0.051 0.628
272 HE22 GLN 44 2HE2 GLN 44 -14.487 -0.359 1.154
273 H ALA 45 H ALA 45 -8.828 -0.092 -0.539
274 HA ALA 45 HA ALA 45 -9.496 -1.395 -2.996
275 HB1 ALA 45 1HB ALA 45 -8.770 0.698 -4.068
276 HB2 ALA 45 2HB ALA 45 -9.784 1.060 -2.658
277 HB3 ALA 45 3HB ALA 45 -8.018 1.234 -2.556
278 H CYS 46 H CYS 46 -6.514 -1.044 -1.168
279 HA CYS 46 HA CYS 46 -4.778 -1.792 -3.392
280 HB2 CYS 46 1HB CYS 46 -4.042 -0.217 -1.701
281 HB3 CYS 46 2HB CYS 46 -4.372 -1.347 -0.410
282 H GLN 47 H GLN 47 -5.739 -3.366 -0.244
283 HA GLN 47 HA GLN 47 -4.700 -5.829 -0.666
284 HB2 GLN 47 1HB GLN 47 -7.436 -5.260 0.496
285 HB3 GLN 47 2HB GLN 47 -6.583 -6.772 0.636
286 HG2 GLN 47 1HG GLN 47 -5.771 -4.146 1.923
287 HG3 GLN 47 2HG GLN 47 -6.472 -5.568 2.675
288 HE21 GLN 47 1HE2 GLN 47 -4.629 -5.502 4.221
289 HE22 GLN 47 2HE2 GLN 47 -3.011 -6.016 3.677
290 H MET 48 H MET 48 -7.794 -4.830 -1.921
291 HA MET 48 HA MET 48 -8.364 -7.193 -3.431
292 HB2 MET 48 1HB MET 48 -10.236 -6.096 -4.272
293 HB3 MET 48 2HB MET 48 -9.954 -5.418 -2.660
294 HG2 MET 48 1HG MET 48 -10.343 -3.462 -3.691
295 HG3 MET 48 2HG MET 48 -8.637 -3.614 -4.072
296 HE1 MET 48 3HE MET 48 -9.273 -1.609 -5.874
297 HE2 MET 48 1HE MET 48 -7.972 -2.704 -6.378
298 HE3 MET 48 2HE MET 48 -9.210 -2.231 -7.544
299 H SER 49 H SER 49 -6.089 -4.994 -4.043
300 HA SER 49 HA SER 49 -5.854 -5.590 -6.945
301 HB2 SER 49 1HB SER 49 -5.993 -3.103 -5.743
302 HB3 SER 49 2HB SER 49 -4.267 -3.312 -5.941
303 HG SER 49 HG SER 49 -6.179 -3.786 -8.008
304 H ALA 50 H ALA 50 -4.581 -6.517 -3.954
305 HA ALA 50 HA ALA 50 -1.801 -6.079 -4.595
306 HB1 ALA 50 1HB ALA 50 -1.439 -6.956 -2.304
307 HB2 ALA 50 2HB ALA 50 -2.660 -5.669 -2.353
308 HB3 ALA 50 3HB ALA 50 -3.173 -7.353 -2.204
309 H GLN 51 H GLN 51 -0.774 -7.452 -6.024
310 HA GLN 51 HA GLN 51 -1.074 -10.378 -5.550
311 HB2 GLN 51 1HB GLN 51 -1.094 -8.965 -8.230
312 HB3 GLN 51 2HB GLN 51 -0.975 -10.716 -7.980
313 HG2 GLN 51 1HG GLN 51 -3.147 -10.647 -6.729
314 HG3 GLN 51 2HG GLN 51 -3.295 -8.931 -7.134
315 HE21 GLN 51 1HE2 GLN 51 -5.129 -11.204 -7.890
316 HE22 GLN 51 2HE2 GLN 51 -5.062 -11.239 -9.630
317 H CYS 52 H CYS 52 0.747 -10.512 -4.413
318 HA CYS 52 HA CYS 52 3.350 -10.127 -5.670
319 HB2 CYS 52 1HB CYS 52 3.866 -11.648 -3.600
320 HB3 CYS 52 2HB CYS 52 3.672 -9.917 -3.408
Start of MODEL 7
1 H1 ASN 1 H ASN 1 -8.852 8.881 -4.517
2 HA ASN 1 HA ASN 1 -8.045 6.335 -5.789
3 HB2 ASN 1 1HB ASN 1 -7.173 7.525 -7.566
4 HB3 ASN 1 2HB ASN 1 -8.598 8.436 -7.172
5 HD21 ASN 1 1HD2 ASN 1 -8.048 10.538 -7.772
6 HD22 ASN 1 2HD2 ASN 1 -6.631 11.371 -7.186
7 HA PRO 2 HA PRO 2 -4.784 5.745 -3.207
8 HB2 PRO 2 1HB PRO 2 -2.517 5.111 -4.634
9 HB3 PRO 2 2HB PRO 2 -3.986 4.096 -4.507
10 HG2 PRO 2 1HG PRO 2 -3.314 6.061 -6.705
11 HG3 PRO 2 2HG PRO 2 -3.790 4.337 -6.878
12 HD2 PRO 2 1HD PRO 2 -5.553 6.324 -7.141
13 HD3 PRO 2 2HD PRO 2 -6.036 4.857 -6.235
14 H GLU 3 H GLU 3 -4.094 8.611 -5.192
15 HA GLU 3 HA GLU 3 -1.799 9.376 -3.501
16 HB2 GLU 3 1HB GLU 3 -3.515 10.690 -5.581
17 HB3 GLU 3 2HB GLU 3 -2.618 11.704 -4.459
18 HG2 GLU 3 1HG GLU 3 -0.497 10.703 -5.173
19 HG3 GLU 3 2HG GLU 3 -1.350 9.621 -6.278
20 H ASP 4 H ASP 4 -5.300 9.491 -3.455
21 HA ASP 4 HA ASP 4 -5.606 11.540 -1.465
22 HB2 ASP 4 1HB ASP 4 -7.225 10.205 -3.278
23 HB3 ASP 4 2HB ASP 4 -7.799 9.555 -1.777
24 H TRP 5 H TRP 5 -5.058 8.105 -1.379
25 HA TRP 5 HA TRP 5 -6.109 7.913 1.353
26 HB2 TRP 5 1HB TRP 5 -5.286 5.758 -0.553
27 HB3 TRP 5 2HB TRP 5 -5.958 5.504 1.062
28 HD1 TRP 5 HD TRP 5 -8.306 7.555 1.090
29 HE1 TRP 5 1HE TRP 5 -10.349 7.264 -0.387
30 HE3 TRP 5 3HE TRP 5 -6.300 4.435 -2.348
31 HZ2 TRP 5 2HZ TRP 5 -10.972 6.030 -2.898
32 HZ3 TRP 5 3HZ TRP 5 -7.657 3.630 -4.319
33 HH2 TRP 5 HH TRP 5 -10.010 4.422 -4.586
34 H PHE 6 H PHE 6 -3.250 8.780 0.090
35 HA PHE 6 HA PHE 6 -1.300 6.953 1.111
36 HB2 PHE 6 1HB PHE 6 -1.032 8.352 -0.890
37 HB3 PHE 6 2HB PHE 6 -1.208 9.811 0.064
38 HD1 PHE 6 2HD PHE 6 1.023 6.798 -0.349
39 HD2 PHE 6 1HD PHE 6 0.745 10.950 0.817
40 HE1 PHE 6 2HE PHE 6 3.473 6.907 -0.099
41 HE2 PHE 6 1HE PHE 6 3.193 11.025 1.098
42 HZ PHE 6 HZ PHE 6 4.560 8.988 0.711
43 H THR 7 H THR 7 -0.964 6.698 3.370
44 HA THR 7 HA THR 7 -0.868 9.184 4.990
45 HB THR 7 HB THR 7 -1.388 7.631 6.875
46 HG1 THR 7 1HG THR 7 -2.200 5.650 6.403
47 HG21 THR 7 3HG2 THR 7 -3.796 7.401 6.263
48 HG22 THR 7 1HG2 THR 7 -3.140 9.004 5.849
49 HG23 THR 7 2HG2 THR 7 -3.416 7.789 4.591
50 HA PRO 8 HA PRO 8 3.454 7.824 4.594
51 HB2 PRO 8 1HB PRO 8 4.659 10.250 5.010
52 HB3 PRO 8 2HB PRO 8 3.971 9.737 3.442
53 HG2 PRO 8 1HG PRO 8 2.677 11.467 5.575
54 HG3 PRO 8 2HG PRO 8 2.711 11.746 3.804
55 HD2 PRO 8 1HD PRO 8 0.568 10.667 4.994
56 HD3 PRO 8 2HD PRO 8 1.107 10.115 3.381
57 H ASP 9 H ASP 9 1.829 9.511 7.255
58 HA ASP 9 HA ASP 9 3.858 9.390 9.206
59 HB2 ASP 9 1HB ASP 9 0.886 9.670 9.180
60 HB3 ASP 9 2HB ASP 9 1.520 8.959 10.648
61 H THR 10 H THR 10 2.100 6.752 7.790
62 HA THR 10 HA THR 10 3.128 4.937 9.904
63 HB THR 10 HB THR 10 0.750 5.008 9.928
64 HG1 THR 10 1HG THR 10 1.386 2.630 8.573
65 HG21 THR 10 3HG2 THR 10 0.067 5.810 7.825
66 HG22 THR 10 1HG2 THR 10 0.808 4.449 6.957
67 HG23 THR 10 2HG2 THR 10 -0.629 4.195 7.966
68 H CYS 11 H CYS 11 3.877 5.995 6.801
69 HA CYS 11 HA CYS 11 4.557 3.276 5.783
70 HB2 CYS 11 1HB CYS 11 2.757 4.678 4.646
71 HB3 CYS 11 2HB CYS 11 4.016 5.755 4.201
72 H ALA 12 H ALA 12 6.305 3.735 3.895
73 HA ALA 12 HA ALA 12 8.535 5.419 4.856
74 HB1 ALA 12 1HB ALA 12 8.670 3.169 5.968
75 HB2 ALA 12 2HB ALA 12 8.750 2.413 4.352
76 HB3 ALA 12 3HB ALA 12 10.035 3.519 4.903
77 H TYR 13 H TYR 13 6.623 5.344 2.419
78 HA TYR 13 HA TYR 13 8.718 5.210 0.301
79 HB2 TYR 13 1HB TYR 13 5.808 4.405 0.177
80 HB3 TYR 13 2HB TYR 13 6.848 4.556 -1.234
81 HD1 TYR 13 1HD TYR 13 9.333 3.199 -0.384
82 HD2 TYR 13 2HD TYR 13 5.306 2.243 0.758
83 HE1 TYR 13 1HE TYR 13 10.062 0.935 0.201
84 HE2 TYR 13 2HE TYR 13 5.992 -0.116 1.217
85 HH TYR 13 HH TYR 13 9.444 -1.099 1.127
86 H GLY 14 H GLY 14 9.150 7.296 -0.066
87 HA2 GLY 14 1HA GLY 14 7.334 9.405 0.441
88 HA3 GLY 14 2HA GLY 14 8.870 9.531 -0.393
89 H ASP 15 H ASP 15 6.459 7.395 -1.850
90 HA ASP 15 HA ASP 15 5.160 9.545 -3.106
91 HB2 ASP 15 1HB ASP 15 5.886 7.456 -5.156
92 HB3 ASP 15 2HB ASP 15 5.358 9.104 -5.406
93 H SER 16 H SER 16 3.063 9.100 -3.696
94 HA SER 16 HA SER 16 1.958 6.868 -2.379
95 HB2 SER 16 1HB SER 16 0.546 8.479 -4.521
96 HB3 SER 16 2HB SER 16 -0.141 7.697 -3.084
97 HG SER 16 HG SER 16 1.308 9.207 -1.883
98 H ASN 17 H ASN 17 2.928 7.216 -5.816
99 HA ASN 17 HA ASN 17 1.699 4.621 -6.478
100 HB2 ASN 17 1HB ASN 17 2.657 6.770 -8.040
101 HB3 ASN 17 2HB ASN 17 3.793 5.451 -8.330
102 HD21 ASN 17 1HD2 ASN 17 2.573 3.123 -8.693
103 HD22 ASN 17 2HD2 ASN 17 1.090 3.291 -9.614
104 H THR 18 H THR 18 5.006 5.781 -5.598
105 HA THR 18 HA THR 18 6.232 3.254 -5.936
106 HB THR 18 HB THR 18 6.874 5.538 -4.023
107 HG1 THR 18 1HG THR 18 7.886 6.411 -5.679
108 HG21 THR 18 3HG2 THR 18 8.161 3.632 -3.309
109 HG22 THR 18 1HG2 THR 18 8.545 3.170 -4.988
110 HG23 THR 18 2HG2 THR 18 9.241 4.641 -4.269
111 H ALA 19 H ALA 19 4.508 4.662 -3.111
112 HA ALA 19 HA ALA 19 4.662 2.441 -1.385
113 HB1 ALA 19 1HB ALA 19 2.690 3.438 -0.285
114 HB2 ALA 19 2HB ALA 19 3.862 4.696 -0.698
115 HB3 ALA 19 3HB ALA 19 2.425 4.502 -1.674
116 H TRP 20 H TRP 20 1.816 3.345 -3.430
117 HA TRP 20 HA TRP 20 0.297 1.094 -3.008
118 HB2 TRP 20 1HB TRP 20 -0.524 3.105 -4.095
119 HB3 TRP 20 2HB TRP 20 0.561 2.868 -5.462
120 HD1 TRP 20 HD TRP 20 -0.039 0.895 -7.190
121 HE1 TRP 20 1HE TRP 20 -2.180 -0.261 -7.774
122 HE3 TRP 20 3HE TRP 20 -2.801 2.296 -3.114
123 HZ2 TRP 20 2HZ TRP 20 -4.884 -0.572 -6.628
124 HZ3 TRP 20 3HZ TRP 20 -5.207 1.616 -2.942
125 HH2 TRP 20 HH TRP 20 -6.213 0.188 -4.692
126 H THR 21 H THR 21 2.537 1.563 -5.830
127 HA THR 21 HA THR 21 2.147 -1.026 -6.860
128 HB THR 21 HB THR 21 4.366 1.027 -7.142
129 HG1 THR 21 1HG THR 21 2.084 0.266 -8.685
130 HG21 THR 21 3HG2 THR 21 3.861 -1.393 -8.887
131 HG22 THR 21 1HG2 THR 21 4.993 -0.051 -9.207
132 HG23 THR 21 2HG2 THR 21 5.274 -1.118 -7.834
133 H THR 22 H THR 22 4.476 0.101 -4.297
134 HA THR 22 HA THR 22 5.853 -2.423 -4.206
135 HB THR 22 HB THR 22 5.485 -0.407 -1.983
136 HG1 THR 22 1HG THR 22 6.522 0.444 -3.729
137 HG21 THR 22 3HG2 THR 22 7.670 -1.564 -1.241
138 HG22 THR 22 1HG2 THR 22 6.171 -2.469 -0.989
139 HG23 THR 22 2HG2 THR 22 7.237 -2.872 -2.351
140 H CYS 23 H CYS 23 2.953 -1.150 -2.499
141 HA CYS 23 HA CYS 23 2.467 -3.538 -1.065
142 HB2 CYS 23 1HB CYS 23 0.336 -1.648 -2.026
143 HB3 CYS 23 2HB CYS 23 0.334 -2.670 -0.614
144 H THR 24 H THR 24 1.853 -2.868 -4.474
145 HA THR 24 HA THR 24 0.180 -5.318 -4.571
146 HB THR 24 HB THR 24 -0.798 -4.473 -6.594
147 HG1 THR 24 1HG THR 24 0.805 -3.280 -7.510
148 HG21 THR 24 3HG2 THR 24 -2.111 -2.656 -5.769
149 HG22 THR 24 1HG2 THR 24 -1.774 -3.701 -4.386
150 HG23 THR 24 2HG2 THR 24 -0.879 -2.194 -4.589
151 H THR 25 H THR 25 3.343 -5.088 -4.663
152 HA THR 25 HA THR 25 3.494 -7.014 -6.889
153 HB THR 25 HB THR 25 5.644 -6.066 -7.621
154 HG1 THR 25 1HG THR 25 4.870 -3.813 -6.086
155 HG21 THR 25 3HG2 THR 25 3.364 -4.066 -7.850
156 HG22 THR 25 1HG2 THR 25 4.803 -4.103 -8.863
157 HG23 THR 25 2HG2 THR 25 3.657 -5.455 -8.915
158 HA PRO 26 HA PRO 26 5.544 -9.348 -3.924
159 HB2 PRO 26 1HB PRO 26 7.489 -10.773 -5.271
160 HB3 PRO 26 2HB PRO 26 5.730 -11.118 -5.333
161 HG2 PRO 26 1HG PRO 26 7.434 -9.625 -7.316
162 HG3 PRO 26 2HG PRO 26 6.113 -10.787 -7.637
163 HD2 PRO 26 1HD PRO 26 5.808 -8.076 -7.771
164 HD3 PRO 26 2HD PRO 26 4.470 -9.125 -7.271
165 H GLY 27 H GLY 27 6.602 -8.294 -2.393
166 HA2 GLY 27 1HA GLY 27 9.443 -7.713 -2.500
167 HA3 GLY 27 2HA GLY 27 8.387 -6.301 -2.378
168 H GLN 28 H GLN 28 9.944 -6.576 -0.272
169 HA GLN 28 HA GLN 28 9.299 -8.412 1.744
170 HB2 GLN 28 1HB GLN 28 10.425 -6.892 3.294
171 HB3 GLN 28 2HB GLN 28 11.357 -7.179 1.835
172 HG2 GLN 28 1HG GLN 28 9.658 -4.665 2.158
173 HG3 GLN 28 2HG GLN 28 11.272 -4.806 2.836
174 HE21 GLN 28 1HE2 GLN 28 9.524 -4.073 -0.084
175 HE22 GLN 28 2HE2 GLN 28 10.874 -4.231 -1.193
176 H THR 29 H THR 29 7.388 -5.691 0.797
177 HA THR 29 HA THR 29 5.399 -6.379 2.823
178 HB THR 29 HB THR 29 4.953 -4.001 3.331
179 HG1 THR 29 1HG THR 29 6.199 -3.229 1.479
180 HG21 THR 29 3HG2 THR 29 6.340 -5.392 4.901
181 HG22 THR 29 1HG2 THR 29 7.796 -4.708 4.153
182 HG23 THR 29 2HG2 THR 29 6.652 -3.652 4.980
183 H CYS 30 H CYS 30 4.378 -7.356 0.982
184 HA CYS 30 HA CYS 30 3.650 -5.624 -1.321
185 HB2 CYS 30 1HB CYS 30 4.431 -7.912 -1.882
186 HB3 CYS 30 2HB CYS 30 3.176 -8.603 -0.890
187 H TYR 31 H TYR 31 1.237 -7.761 -0.872
188 HA TYR 31 HA TYR 31 -0.906 -6.407 -0.398
189 HB2 TYR 31 1HB TYR 31 -0.923 -8.774 -0.612
190 HB3 TYR 31 2HB TYR 31 -0.010 -9.026 0.855
191 HD1 TYR 31 2HD TYR 31 -1.025 -8.702 3.088
192 HD2 TYR 31 1HD TYR 31 -3.354 -8.558 -0.534
193 HE1 TYR 31 2HE TYR 31 -3.060 -9.262 4.383
194 HE2 TYR 31 1HE TYR 31 -5.386 -9.070 0.708
195 HH TYR 31 HH TYR 31 -6.272 -9.568 2.857
196 H THR 32 H THR 32 1.123 -7.330 2.380
197 HA THR 32 HA THR 32 -0.554 -6.186 4.343
198 HB THR 32 HB THR 32 2.440 -6.632 4.577
199 HG1 THR 32 1HG THR 32 1.974 -8.791 4.783
200 HG21 THR 32 3HG2 THR 32 1.247 -5.628 6.564
201 HG22 THR 32 1HG2 THR 32 0.163 -7.033 6.578
202 HG23 THR 32 2HG2 THR 32 1.907 -7.235 6.880
203 H CYS 33 H CYS 33 1.924 -4.652 2.318
204 HA CYS 33 HA CYS 33 2.256 -2.201 3.780
205 HB2 CYS 33 1HB CYS 33 3.885 -2.610 2.221
206 HB3 CYS 33 2HB CYS 33 2.783 -3.152 1.002
207 H CYS 34 H CYS 34 -0.270 -3.421 1.542
208 HA CYS 34 HA CYS 34 -1.650 -1.098 0.816
209 HB2 CYS 34 1HB CYS 34 -2.772 -3.678 1.735
210 HB3 CYS 34 2HB CYS 34 -3.678 -2.415 0.974
211 H SER 35 H SER 35 -1.603 -2.870 3.824
212 HA SER 35 HA SER 35 -3.662 -1.324 5.233
213 HB2 SER 35 1HB SER 35 -3.820 -3.584 5.716
214 HB3 SER 35 2HB SER 35 -2.095 -3.874 5.570
215 HG SER 35 HG SER 35 -3.405 -2.584 7.704
216 H SER 36 H SER 36 -0.049 -1.853 5.333
217 HA SER 36 HA SER 36 0.220 -0.242 7.684
218 HB2 SER 36 1HB SER 36 2.368 -1.058 5.692
219 HB3 SER 36 2HB SER 36 2.569 -0.644 7.407
220 HG SER 36 HG SER 36 1.062 -2.459 7.768
221 H CYS 37 H CYS 37 -0.125 0.731 4.415
222 HA CYS 37 HA CYS 37 1.416 3.234 4.849
223 HB2 CYS 37 1HB CYS 37 1.058 1.281 2.580
224 HB3 CYS 37 2HB CYS 37 1.451 2.967 2.207
225 H PHE 38 H PHE 38 -1.831 2.328 4.557
226 HA PHE 38 HA PHE 38 -2.609 4.973 3.494
227 HB2 PHE 38 1HB PHE 38 -3.608 2.325 2.427
228 HB3 PHE 38 2HB PHE 38 -4.225 3.904 2.004
229 HD1 PHE 38 1HD PHE 38 -1.142 1.747 1.711
230 HD2 PHE 38 2HD PHE 38 -3.282 5.176 0.234
231 HE1 PHE 38 1HE PHE 38 0.470 1.975 -0.161
232 HE2 PHE 38 2HE PHE 38 -1.676 5.378 -1.630
233 HZ PHE 38 HZ PHE 38 0.199 3.798 -1.829
234 H ASP 39 H ASP 39 -4.820 5.476 3.986
235 HA ASP 39 HA ASP 39 -5.838 4.437 6.508
236 HB2 ASP 39 1HB ASP 39 -7.415 5.771 4.287
237 HB3 ASP 39 2HB ASP 39 -7.998 5.482 5.892
238 H VAL 40 H VAL 40 -7.976 3.387 6.608
239 HA VAL 40 HA VAL 40 -8.193 0.932 5.508
240 HB VAL 40 HB VAL 40 -9.346 1.726 7.464
241 HG11 VAL 40 1HG1 VAL 40 -11.221 3.332 5.662
242 HG12 VAL 40 2HG1 VAL 40 -11.349 3.126 7.420
243 HG13 VAL 40 3HG1 VAL 40 -9.995 4.036 6.735
244 HG21 VAL 40 3HG2 VAL 40 -11.328 0.846 5.367
245 HG22 VAL 40 1HG2 VAL 40 -10.209 -0.222 6.234
246 HG23 VAL 40 2HG2 VAL 40 -11.485 0.644 7.124
247 H VAL 41 H VAL 41 -9.437 3.938 3.925
248 HA VAL 41 HA VAL 41 -11.017 2.493 1.990
249 HB VAL 41 HB VAL 41 -9.919 5.315 1.690
250 HG11 VAL 41 1HG1 VAL 41 -12.046 5.648 0.434
251 HG12 VAL 41 2HG1 VAL 41 -11.067 4.362 -0.284
252 HG13 VAL 41 3HG1 VAL 41 -12.482 3.950 0.709
253 HG21 VAL 41 3HG2 VAL 41 -10.974 5.295 3.899
254 HG22 VAL 41 1HG2 VAL 41 -12.120 6.015 2.779
255 HG23 VAL 41 2HG2 VAL 41 -12.350 4.339 3.280
256 H GLY 42 H GLY 42 -7.639 3.512 2.194
257 HA2 GLY 42 1HA GLY 42 -6.999 2.869 -0.583
258 HA3 GLY 42 2HA GLY 42 -5.865 3.230 0.737
259 H GLU 43 H GLU 43 -6.499 1.462 2.686
260 HA GLU 43 HA GLU 43 -5.185 -0.839 2.114
261 HB2 GLU 43 1HB GLU 43 -5.705 -0.209 4.373
262 HB3 GLU 43 2HB GLU 43 -7.422 -0.520 4.137
263 HG2 GLU 43 1HG GLU 43 -5.352 -2.712 3.785
264 HG3 GLU 43 2HG GLU 43 -5.971 -2.307 5.373
265 H GLN 44 H GLN 44 -8.837 -0.862 2.216
266 HA GLN 44 HA GLN 44 -8.745 -3.532 1.240
267 HB2 GLN 44 1HB GLN 44 -10.535 -2.336 2.724
268 HB3 GLN 44 2HB GLN 44 -11.219 -1.761 1.195
269 HG2 GLN 44 1HG GLN 44 -11.259 -4.196 0.437
270 HG3 GLN 44 2HG GLN 44 -10.725 -4.642 2.054
271 HE21 GLN 44 1HE2 GLN 44 -13.378 -2.648 0.524
272 HE22 GLN 44 2HE2 GLN 44 -14.609 -3.257 1.565
273 H ALA 45 H ALA 45 -8.598 -0.482 -0.414
274 HA ALA 45 HA ALA 45 -9.592 -1.634 -2.915
275 HB1 ALA 45 1HB ALA 45 -8.211 1.053 -2.363
276 HB2 ALA 45 2HB ALA 45 -8.944 0.572 -3.898
277 HB3 ALA 45 3HB ALA 45 -9.964 0.823 -2.471
278 H CYS 46 H CYS 46 -6.583 -1.240 -1.193
279 HA CYS 46 HA CYS 46 -4.936 -1.854 -3.538
280 HB2 CYS 46 1HB CYS 46 -4.143 -0.270 -1.913
281 HB3 CYS 46 2HB CYS 46 -4.404 -1.376 -0.607
282 H GLN 47 H GLN 47 -5.584 -3.485 -0.338
283 HA GLN 47 HA GLN 47 -4.351 -5.882 -0.968
284 HB2 GLN 47 1HB GLN 47 -6.814 -5.395 0.778
285 HB3 GLN 47 2HB GLN 47 -5.935 -6.916 0.705
286 HG2 GLN 47 1HG GLN 47 -3.832 -5.387 1.067
287 HG3 GLN 47 2HG GLN 47 -5.009 -4.241 1.732
288 HE21 GLN 47 1HE2 GLN 47 -2.663 -5.594 2.902
289 HE22 GLN 47 2HE2 GLN 47 -3.249 -6.495 4.290
290 H MET 48 H MET 48 -7.665 -5.009 -1.849
291 HA MET 48 HA MET 48 -8.222 -7.472 -3.179
292 HB2 MET 48 1HB MET 48 -10.195 -6.503 -3.924
293 HB3 MET 48 2HB MET 48 -9.845 -5.657 -2.427
294 HG2 MET 48 1HG MET 48 -10.544 -3.975 -3.777
295 HG3 MET 48 2HG MET 48 -8.793 -3.836 -3.864
296 HE1 MET 48 3HE MET 48 -10.145 -2.486 -7.272
297 HE2 MET 48 1HE MET 48 -10.781 -2.308 -5.620
298 HE3 MET 48 2HE MET 48 -9.036 -2.187 -5.932
299 H SER 49 H SER 49 -6.413 -4.610 -4.337
300 HA SER 49 HA SER 49 -6.196 -5.611 -7.064
301 HB2 SER 49 1HB SER 49 -5.550 -3.073 -5.541
302 HB3 SER 49 2HB SER 49 -4.821 -3.388 -7.094
303 HG SER 49 HG SER 49 -7.116 -3.809 -7.796
304 H ALA 50 H ALA 50 -4.582 -6.142 -4.103
305 HA ALA 50 HA ALA 50 -1.905 -5.794 -5.008
306 HB1 ALA 50 1HB ALA 50 -3.003 -7.161 -2.522
307 HB2 ALA 50 2HB ALA 50 -1.291 -6.778 -2.804
308 HB3 ALA 50 3HB ALA 50 -2.461 -5.473 -2.651
309 H GLN 51 H GLN 51 -0.462 -7.216 -5.882
310 HA GLN 51 HA GLN 51 -1.486 -9.833 -6.756
311 HB2 GLN 51 1HB GLN 51 -0.460 -7.406 -8.267
312 HB3 GLN 51 2HB GLN 51 -0.427 -9.014 -8.990
313 HG2 GLN 51 1HG GLN 51 -2.748 -9.243 -9.020
314 HG3 GLN 51 2HG GLN 51 -3.026 -8.022 -7.793
315 HE21 GLN 51 1HE2 GLN 51 -4.438 -8.165 -10.241
316 HE22 GLN 51 2HE2 GLN 51 -4.058 -6.722 -11.170
317 H CYS 52 H CYS 52 -0.244 -11.009 -5.566
318 HA CYS 52 HA CYS 52 2.699 -10.555 -5.348
319 HB2 CYS 52 1HB CYS 52 1.878 -12.044 -3.100
320 HB3 CYS 52 2HB CYS 52 2.418 -10.401 -3.151
Start of MODEL 8
1 H1 ASN 1 H ASN 1 -8.972 8.576 -4.837
2 HA ASN 1 HA ASN 1 -7.933 6.169 -6.200
3 HB2 ASN 1 1HB ASN 1 -7.064 7.472 -7.866
4 HB3 ASN 1 2HB ASN 1 -8.459 8.441 -7.466
5 HD21 ASN 1 1HD2 ASN 1 -7.932 10.628 -7.388
6 HD22 ASN 1 2HD2 ASN 1 -6.460 11.288 -6.729
7 HA PRO 2 HA PRO 2 -4.901 5.622 -3.350
8 HB2 PRO 2 1HB PRO 2 -2.544 5.009 -4.636
9 HB3 PRO 2 2HB PRO 2 -4.010 3.974 -4.613
10 HG2 PRO 2 1HG PRO 2 -3.158 5.908 -6.740
11 HG3 PRO 2 2HG PRO 2 -3.701 4.202 -6.919
12 HD2 PRO 2 1HD PRO 2 -5.373 6.291 -7.313
13 HD3 PRO 2 2HD PRO 2 -5.960 4.802 -6.510
14 H GLU 3 H GLU 3 -4.139 8.541 -5.203
15 HA GLU 3 HA GLU 3 -1.940 9.185 -3.352
16 HB2 GLU 3 1HB GLU 3 -1.939 9.995 -5.694
17 HB3 GLU 3 2HB GLU 3 -3.381 10.967 -5.342
18 HG2 GLU 3 1HG GLU 3 -2.140 12.276 -3.694
19 HG3 GLU 3 2HG GLU 3 -0.761 11.187 -3.782
20 H ASP 4 H ASP 4 -5.405 9.342 -3.442
21 HA ASP 4 HA ASP 4 -5.764 11.563 -1.588
22 HB2 ASP 4 1HB ASP 4 -7.308 10.129 -3.344
23 HB3 ASP 4 2HB ASP 4 -7.878 9.460 -1.862
24 H TRP 5 H TRP 5 -4.885 8.274 -1.295
25 HA TRP 5 HA TRP 5 -6.128 7.987 1.348
26 HB2 TRP 5 1HB TRP 5 -5.191 5.895 -0.574
27 HB3 TRP 5 2HB TRP 5 -5.893 5.589 1.021
28 HD1 TRP 5 HD TRP 5 -8.306 7.612 0.982
29 HE1 TRP 5 1HE TRP 5 -10.329 7.222 -0.521
30 HE3 TRP 5 3HE TRP 5 -6.181 4.440 -2.296
31 HZ2 TRP 5 2HZ TRP 5 -10.931 5.739 -2.909
32 HZ3 TRP 5 3HZ TRP 5 -7.489 3.479 -4.241
33 HH2 TRP 5 HH TRP 5 -9.890 4.122 -4.517
34 H PHE 6 H PHE 6 -3.341 9.021 0.176
35 HA PHE 6 HA PHE 6 -1.283 7.238 1.014
36 HB2 PHE 6 1HB PHE 6 -1.104 8.815 -0.828
37 HB3 PHE 6 2HB PHE 6 -1.290 10.169 0.281
38 HD1 PHE 6 2HD PHE 6 0.892 7.162 -0.300
39 HD2 PHE 6 1HD PHE 6 0.673 11.227 1.115
40 HE1 PHE 6 2HE PHE 6 3.362 7.186 0.006
41 HE2 PHE 6 1HE PHE 6 3.142 11.252 1.387
42 HZ PHE 6 HZ PHE 6 4.481 9.230 0.867
43 H THR 7 H THR 7 -0.967 6.791 3.248
44 HA THR 7 HA THR 7 -0.758 9.142 5.066
45 HB THR 7 HB THR 7 -1.369 7.687 6.879
46 HG1 THR 7 1HG THR 7 -0.963 5.723 5.215
47 HG21 THR 7 3HG2 THR 7 -3.160 8.965 5.800
48 HG22 THR 7 1HG2 THR 7 -3.426 7.647 4.644
49 HG23 THR 7 2HG2 THR 7 -3.761 7.378 6.354
50 HA PRO 8 HA PRO 8 3.400 7.584 4.276
51 HB2 PRO 8 1HB PRO 8 4.873 9.792 4.935
52 HB3 PRO 8 2HB PRO 8 3.935 9.648 3.424
53 HG2 PRO 8 1HG PRO 8 3.105 11.012 6.005
54 HG3 PRO 8 2HG PRO 8 2.970 11.640 4.333
55 HD2 PRO 8 1HD PRO 8 0.895 10.484 5.623
56 HD3 PRO 8 2HD PRO 8 1.129 10.278 3.854
57 H ASP 9 H ASP 9 2.222 8.758 7.413
58 HA ASP 9 HA ASP 9 4.461 8.574 8.993
59 HB2 ASP 9 1HB ASP 9 1.493 8.102 9.459
60 HB3 ASP 9 2HB ASP 9 2.650 7.824 10.756
61 H THR 10 H THR 10 2.479 5.966 7.820
62 HA THR 10 HA THR 10 4.022 4.012 9.411
63 HB THR 10 HB THR 10 1.624 4.020 9.691
64 HG1 THR 10 1HG THR 10 1.096 1.927 9.123
65 HG21 THR 10 3HG2 THR 10 1.488 3.702 6.689
66 HG22 THR 10 1HG2 THR 10 0.139 3.300 7.761
67 HG23 THR 10 2HG2 THR 10 0.754 4.960 7.697
68 H CYS 11 H CYS 11 4.264 5.415 6.361
69 HA CYS 11 HA CYS 11 4.911 2.878 4.932
70 HB2 CYS 11 1HB CYS 11 2.914 4.488 4.291
71 HB3 CYS 11 2HB CYS 11 4.167 5.498 3.646
72 H ALA 12 H ALA 12 7.137 2.667 4.479
73 HA ALA 12 HA ALA 12 8.929 4.945 4.855
74 HB1 ALA 12 1HB ALA 12 9.452 2.047 4.104
75 HB2 ALA 12 2HB ALA 12 10.675 3.254 4.548
76 HB3 ALA 12 3HB ALA 12 9.490 2.705 5.757
77 H TYR 13 H TYR 13 7.028 5.311 2.795
78 HA TYR 13 HA TYR 13 8.771 5.554 0.508
79 HB2 TYR 13 1HB TYR 13 5.916 4.541 0.299
80 HB3 TYR 13 2HB TYR 13 6.878 5.104 -1.069
81 HD1 TYR 13 1HD TYR 13 9.080 3.933 -1.622
82 HD2 TYR 13 2HD TYR 13 6.150 2.275 1.082
83 HE1 TYR 13 1HE TYR 13 10.233 1.752 -1.717
84 HE2 TYR 13 2HE TYR 13 7.308 0.115 1.012
85 HH TYR 13 HH TYR 13 9.806 -0.440 0.777
86 H GLY 14 H GLY 14 8.549 7.551 -0.429
87 HA2 GLY 14 1HA GLY 14 6.788 9.486 0.991
88 HA3 GLY 14 2HA GLY 14 8.290 9.851 0.139
89 H ASP 15 H ASP 15 6.010 7.594 -1.381
90 HA ASP 15 HA ASP 15 4.872 9.656 -3.104
91 HB2 ASP 15 1HB ASP 15 7.166 7.956 -3.916
92 HB3 ASP 15 2HB ASP 15 5.741 7.737 -4.929
93 H SER 16 H SER 16 2.816 9.043 -3.660
94 HA SER 16 HA SER 16 1.767 6.724 -2.361
95 HB2 SER 16 1HB SER 16 -0.380 7.449 -3.325
96 HB3 SER 16 2HB SER 16 0.517 8.780 -2.603
97 HG SER 16 HG SER 16 0.347 8.264 -5.395
98 H ASN 17 H ASN 17 2.925 7.288 -5.573
99 HA ASN 17 HA ASN 17 1.814 4.983 -6.971
100 HB2 ASN 17 1HB ASN 17 3.842 5.500 -8.472
101 HB3 ASN 17 2HB ASN 17 2.546 6.682 -8.441
102 HD21 ASN 17 1HD2 ASN 17 2.937 8.760 -7.275
103 HD22 ASN 17 2HD2 ASN 17 4.565 9.204 -6.790
104 H THR 18 H THR 18 5.145 5.751 -5.720
105 HA THR 18 HA THR 18 5.983 3.130 -6.113
106 HB THR 18 HB THR 18 6.961 5.304 -4.250
107 HG1 THR 18 1HG THR 18 6.974 5.169 -6.841
108 HG21 THR 18 3HG2 THR 18 8.519 2.876 -5.293
109 HG22 THR 18 1HG2 THR 18 9.172 4.194 -4.283
110 HG23 THR 18 2HG2 THR 18 7.972 3.070 -3.624
111 H ALA 19 H ALA 19 4.399 4.598 -3.226
112 HA ALA 19 HA ALA 19 4.605 2.369 -1.509
113 HB1 ALA 19 1HB ALA 19 2.660 3.342 -0.357
114 HB2 ALA 19 2HB ALA 19 3.872 4.573 -0.734
115 HB3 ALA 19 3HB ALA 19 2.386 4.453 -1.708
116 H TRP 20 H TRP 20 1.659 3.264 -3.464
117 HA TRP 20 HA TRP 20 0.215 0.920 -3.135
118 HB2 TRP 20 1HB TRP 20 -0.683 2.918 -4.190
119 HB3 TRP 20 2HB TRP 20 0.434 2.778 -5.534
120 HD1 TRP 20 HD TRP 20 -0.066 0.858 -7.379
121 HE1 TRP 20 1HE TRP 20 -2.199 -0.264 -8.112
122 HE3 TRP 20 3HE TRP 20 -2.888 1.926 -3.311
123 HZ2 TRP 20 2HZ TRP 20 -4.960 -0.552 -7.076
124 HZ3 TRP 20 3HZ TRP 20 -5.322 1.334 -3.220
125 HH2 TRP 20 HH TRP 20 -6.353 0.106 -5.138
126 H THR 21 H THR 21 2.607 1.627 -5.733
127 HA THR 21 HA THR 21 2.328 -0.808 -7.090
128 HB THR 21 HB THR 21 4.798 0.962 -6.887
129 HG1 THR 21 1HG THR 21 3.156 2.203 -7.599
130 HG21 THR 21 3HG2 THR 21 5.162 0.078 -9.194
131 HG22 THR 21 1HG2 THR 21 5.232 -1.189 -7.956
132 HG23 THR 21 2HG2 THR 21 3.777 -1.019 -8.965
133 H THR 22 H THR 22 4.707 0.068 -4.428
134 HA THR 22 HA THR 22 5.844 -2.512 -4.216
135 HB THR 22 HB THR 22 5.409 -0.455 -2.026
136 HG1 THR 22 1HG THR 22 6.596 0.525 -3.507
137 HG21 THR 22 3HG2 THR 22 6.029 -2.570 -1.047
138 HG22 THR 22 1HG2 THR 22 7.272 -2.833 -2.285
139 HG23 THR 22 2HG2 THR 22 7.458 -1.547 -1.064
140 H CYS 23 H CYS 23 2.894 -1.173 -2.576
141 HA CYS 23 HA CYS 23 2.362 -3.534 -1.122
142 HB2 CYS 23 1HB CYS 23 0.242 -1.714 -2.244
143 HB3 CYS 23 2HB CYS 23 0.186 -2.703 -0.804
144 H THR 24 H THR 24 2.006 -3.038 -4.523
145 HA THR 24 HA THR 24 0.226 -5.423 -4.722
146 HB THR 24 HB THR 24 -0.602 -4.542 -6.819
147 HG1 THR 24 1HG THR 24 1.014 -2.279 -6.141
148 HG21 THR 24 3HG2 THR 24 -1.801 -3.842 -4.723
149 HG22 THR 24 1HG2 THR 24 -0.867 -2.350 -4.734
150 HG23 THR 24 2HG2 THR 24 -1.957 -2.699 -6.074
151 H THR 25 H THR 25 3.371 -5.115 -4.662
152 HA THR 25 HA THR 25 3.756 -7.015 -6.850
153 HB THR 25 HB THR 25 5.879 -5.833 -7.493
154 HG1 THR 25 1HG THR 25 4.747 -3.738 -5.984
155 HG21 THR 25 3HG2 THR 25 3.440 -4.033 -7.914
156 HG22 THR 25 1HG2 THR 25 4.930 -4.020 -8.854
157 HG23 THR 25 2HG2 THR 25 3.878 -5.434 -8.914
158 HA PRO 26 HA PRO 26 6.023 -9.044 -3.704
159 HB2 PRO 26 1HB PRO 26 8.165 -10.219 -4.958
160 HB3 PRO 26 2HB PRO 26 6.479 -10.814 -5.036
161 HG2 PRO 26 1HG PRO 26 7.956 -9.095 -7.033
162 HG3 PRO 26 2HG PRO 26 6.902 -10.505 -7.361
163 HD2 PRO 26 1HD PRO 26 5.998 -7.966 -7.617
164 HD3 PRO 26 2HD PRO 26 4.937 -9.232 -6.939
165 H GLY 27 H GLY 27 6.890 -7.774 -2.200
166 HA2 GLY 27 1HA GLY 27 9.721 -7.273 -2.210
167 HA3 GLY 27 2HA GLY 27 8.790 -5.769 -2.141
168 H GLN 28 H GLN 28 10.035 -5.872 0.009
169 HA GLN 28 HA GLN 28 9.651 -7.508 2.148
170 HB2 GLN 28 1HB GLN 28 10.189 -5.505 3.522
171 HB3 GLN 28 2HB GLN 28 11.202 -5.651 2.100
172 HG2 GLN 28 1HG GLN 28 9.572 -3.965 0.957
173 HG3 GLN 28 2HG GLN 28 8.962 -3.664 2.576
174 HE21 GLN 28 1HE2 GLN 28 11.683 -3.256 0.347
175 HE22 GLN 28 2HE2 GLN 28 12.639 -2.226 1.410
176 H THR 29 H THR 29 7.208 -5.326 0.866
177 HA THR 29 HA THR 29 5.206 -6.237 2.745
178 HB THR 29 HB THR 29 4.516 -3.900 3.282
179 HG1 THR 29 1HG THR 29 7.111 -3.290 2.324
180 HG21 THR 29 3HG2 THR 29 5.746 -5.118 5.004
181 HG22 THR 29 1HG2 THR 29 7.295 -4.547 4.335
182 HG23 THR 29 2HG2 THR 29 6.144 -3.398 5.015
183 H CYS 30 H CYS 30 4.483 -7.233 0.862
184 HA CYS 30 HA CYS 30 3.488 -5.618 -1.389
185 HB2 CYS 30 1HB CYS 30 4.462 -7.879 -1.855
186 HB3 CYS 30 2HB CYS 30 3.200 -8.579 -0.846
187 H TYR 31 H TYR 31 1.136 -7.753 -0.903
188 HA TYR 31 HA TYR 31 -1.004 -6.568 -0.152
189 HB2 TYR 31 1HB TYR 31 -0.642 -9.018 -0.340
190 HB3 TYR 31 2HB TYR 31 -0.016 -9.056 1.300
191 HD1 TYR 31 1HD TYR 31 -1.541 -8.533 3.224
192 HD2 TYR 31 2HD TYR 31 -3.021 -8.816 -0.821
193 HE1 TYR 31 1HE TYR 31 -3.793 -8.670 4.082
194 HE2 TYR 31 2HE TYR 31 -5.326 -8.840 0.020
195 HH TYR 31 HH TYR 31 -6.113 -8.438 3.463
196 H THR 32 H THR 32 1.311 -7.307 2.537
197 HA THR 32 HA THR 32 -0.446 -6.071 4.479
198 HB THR 32 HB THR 32 2.554 -6.476 4.805
199 HG1 THR 32 1HG THR 32 1.325 -8.397 4.280
200 HG21 THR 32 3HG2 THR 32 1.571 -5.054 6.545
201 HG22 THR 32 1HG2 THR 32 0.200 -6.151 6.719
202 HG23 THR 32 2HG2 THR 32 1.860 -6.645 7.232
203 H CYS 33 H CYS 33 1.878 -4.577 2.303
204 HA CYS 33 HA CYS 33 2.209 -2.048 3.633
205 HB2 CYS 33 1HB CYS 33 3.750 -2.527 1.981
206 HB3 CYS 33 2HB CYS 33 2.572 -3.111 0.863
207 H CYS 34 H CYS 34 -0.417 -3.431 1.521
208 HA CYS 34 HA CYS 34 -1.943 -1.103 1.025
209 HB2 CYS 34 1HB CYS 34 -2.799 -3.839 1.756
210 HB3 CYS 34 2HB CYS 34 -3.845 -2.608 1.102
211 H SER 35 H SER 35 -1.502 -3.063 3.888
212 HA SER 35 HA SER 35 -3.640 -1.835 5.498
213 HB2 SER 35 1HB SER 35 -2.073 -4.389 5.519
214 HB3 SER 35 2HB SER 35 -2.480 -3.726 7.086
215 HG SER 35 HG SER 35 -4.592 -3.727 6.605
216 H SER 36 H SER 36 -0.447 -1.017 4.848
217 HA SER 36 HA SER 36 -0.116 0.312 7.460
218 HB2 SER 36 1HB SER 36 1.877 -1.735 6.410
219 HB3 SER 36 2HB SER 36 2.064 -0.712 7.856
220 HG SER 36 HG SER 36 -0.264 -1.886 8.046
221 H CYS 37 H CYS 37 -0.749 1.430 5.144
222 HA CYS 37 HA CYS 37 1.412 3.249 4.634
223 HB2 CYS 37 1HB CYS 37 0.569 1.362 2.444
224 HB3 CYS 37 2HB CYS 37 1.036 3.021 2.057
225 H PHE 38 H PHE 38 -1.974 2.143 3.964
226 HA PHE 38 HA PHE 38 -2.735 4.974 3.377
227 HB2 PHE 38 1HB PHE 38 -3.624 2.318 2.189
228 HB3 PHE 38 2HB PHE 38 -4.566 3.780 2.046
229 HD1 PHE 38 1HD PHE 38 -0.976 4.533 1.623
230 HD2 PHE 38 2HD PHE 38 -4.504 3.104 -0.384
231 HE1 PHE 38 1HE PHE 38 0.048 5.056 -0.499
232 HE2 PHE 38 2HE PHE 38 -3.549 3.817 -2.498
233 HZ PHE 38 HZ PHE 38 -1.236 4.768 -2.609
234 H ASP 39 H ASP 39 -4.935 5.523 3.899
235 HA ASP 39 HA ASP 39 -5.991 4.499 6.422
236 HB2 ASP 39 1HB ASP 39 -7.533 5.822 4.154
237 HB3 ASP 39 2HB ASP 39 -8.186 5.470 5.706
238 H VAL 40 H VAL 40 -8.082 3.393 6.586
239 HA VAL 40 HA VAL 40 -8.406 1.026 5.402
240 HB VAL 40 HB VAL 40 -9.567 1.796 7.363
241 HG11 VAL 40 1HG1 VAL 40 -11.472 3.378 5.573
242 HG12 VAL 40 2HG1 VAL 40 -11.489 3.247 7.338
243 HG13 VAL 40 3HG1 VAL 40 -10.182 4.127 6.529
244 HG21 VAL 40 3HG2 VAL 40 -11.691 0.705 6.926
245 HG22 VAL 40 1HG2 VAL 40 -11.435 0.903 5.168
246 HG23 VAL 40 2HG2 VAL 40 -10.360 -0.142 6.119
247 H VAL 41 H VAL 41 -9.676 4.107 4.000
248 HA VAL 41 HA VAL 41 -11.304 2.813 2.102
249 HB VAL 41 HB VAL 41 -10.060 5.591 1.763
250 HG11 VAL 41 1HG1 VAL 41 -11.473 4.804 -0.107
251 HG12 VAL 41 2HG1 VAL 41 -12.799 4.442 1.016
252 HG13 VAL 41 3HG1 VAL 41 -12.277 6.119 0.752
253 HG21 VAL 41 3HG2 VAL 41 -11.993 6.497 3.068
254 HG22 VAL 41 1HG2 VAL 41 -12.419 4.844 3.557
255 HG23 VAL 41 2HG2 VAL 41 -10.880 5.587 4.071
256 H GLY 42 H GLY 42 -7.871 3.490 2.126
257 HA2 GLY 42 1HA GLY 42 -7.613 2.816 -0.757
258 HA3 GLY 42 2HA GLY 42 -6.402 3.583 0.272
259 H GLU 43 H GLU 43 -6.789 1.681 2.541
260 HA GLU 43 HA GLU 43 -5.175 -0.523 1.950
261 HB2 GLU 43 1HB GLU 43 -5.631 0.142 4.226
262 HB3 GLU 43 2HB GLU 43 -7.358 -0.088 4.023
263 HG2 GLU 43 1HG GLU 43 -5.606 -2.497 3.629
264 HG3 GLU 43 2HG GLU 43 -5.775 -1.872 5.236
265 H GLN 44 H GLN 44 -8.802 -0.304 2.049
266 HA GLN 44 HA GLN 44 -9.033 -3.038 1.345
267 HB2 GLN 44 1HB GLN 44 -11.339 -2.669 1.279
268 HB3 GLN 44 2HB GLN 44 -10.694 -1.663 2.587
269 HG2 GLN 44 1HG GLN 44 -10.865 0.298 0.975
270 HG3 GLN 44 2HG GLN 44 -11.801 -0.766 -0.089
271 HE21 GLN 44 1HE2 GLN 44 -12.678 1.664 1.381
272 HE22 GLN 44 2HE2 GLN 44 -13.793 1.184 2.645
273 H ALA 45 H ALA 45 -8.897 -0.090 -0.565
274 HA ALA 45 HA ALA 45 -9.632 -1.379 -3.015
275 HB1 ALA 45 1HB ALA 45 -8.082 1.219 -2.542
276 HB2 ALA 45 2HB ALA 45 -8.751 0.700 -4.098
277 HB3 ALA 45 3HB ALA 45 -9.844 1.086 -2.737
278 H CYS 46 H CYS 46 -6.625 -1.022 -1.214
279 HA CYS 46 HA CYS 46 -4.932 -1.867 -3.442
280 HB2 CYS 46 1HB CYS 46 -4.165 -0.216 -1.822
281 HB3 CYS 46 2HB CYS 46 -4.448 -1.302 -0.486
282 H GLN 47 H GLN 47 -5.884 -3.420 -0.226
283 HA GLN 47 HA GLN 47 -4.790 -5.879 -0.744
284 HB2 GLN 47 1HB GLN 47 -7.508 -5.487 0.535
285 HB3 GLN 47 2HB GLN 47 -6.489 -6.873 0.666
286 HG2 GLN 47 1HG GLN 47 -5.908 -4.177 1.897
287 HG3 GLN 47 2HG GLN 47 -6.420 -5.661 2.684
288 HE21 GLN 47 1HE2 GLN 47 -4.409 -5.153 4.137
289 HE22 GLN 47 2HE2 GLN 47 -2.897 -5.758 3.466
290 H MET 48 H MET 48 -7.788 -4.661 -2.147
291 HA MET 48 HA MET 48 -8.506 -7.198 -3.392
292 HB2 MET 48 1HB MET 48 -10.201 -5.966 -4.552
293 HB3 MET 48 2HB MET 48 -10.167 -5.448 -2.862
294 HG2 MET 48 1HG MET 48 -9.056 -3.453 -3.414
295 HG3 MET 48 2HG MET 48 -8.811 -3.908 -5.091
296 HE1 MET 48 3HE MET 48 -9.971 -3.077 -6.838
297 HE2 MET 48 1HE MET 48 -10.989 -4.520 -6.662
298 HE3 MET 48 2HE MET 48 -11.725 -2.931 -6.981
299 H SER 49 H SER 49 -6.236 -4.779 -4.209
300 HA SER 49 HA SER 49 -6.090 -5.593 -7.061
301 HB2 SER 49 1HB SER 49 -6.286 -3.084 -5.978
302 HB3 SER 49 2HB SER 49 -4.547 -3.238 -6.159
303 HG SER 49 HG SER 49 -6.382 -3.851 -8.272
304 H ALA 50 H ALA 50 -4.434 -5.757 -4.004
305 HA ALA 50 HA ALA 50 -1.775 -6.058 -4.870
306 HB1 ALA 50 1HB ALA 50 -1.484 -6.944 -2.535
307 HB2 ALA 50 2HB ALA 50 -2.387 -5.421 -2.581
308 HB3 ALA 50 3HB ALA 50 -3.259 -6.948 -2.343
309 H GLN 51 H GLN 51 -0.520 -7.858 -5.410
310 HA GLN 51 HA GLN 51 -1.505 -10.515 -5.511
311 HB2 GLN 51 1HB GLN 51 -1.252 -8.777 -8.025
312 HB3 GLN 51 2HB GLN 51 -1.047 -10.518 -8.043
313 HG2 GLN 51 1HG GLN 51 -3.387 -10.660 -6.962
314 HG3 GLN 51 2HG GLN 51 -3.558 -8.939 -7.335
315 HE21 GLN 51 1HE2 GLN 51 -5.259 -9.106 -8.877
316 HE22 GLN 51 2HE2 GLN 51 -5.061 -9.949 -10.385
317 H CYS 52 H CYS 52 0.322 -11.587 -5.250
318 HA CYS 52 HA CYS 52 2.878 -10.075 -5.060
319 HB2 CYS 52 1HB CYS 52 2.346 -12.229 -3.120
320 HB3 CYS 52 2HB CYS 52 2.981 -10.632 -2.842
Start of MODEL 9
1 H1 ASN 1 H ASN 1 -9.287 7.055 -4.025
2 HA ASN 1 HA ASN 1 -7.559 6.597 -6.352
3 HB2 ASN 1 1HB ASN 1 -8.681 8.499 -6.730
4 HB3 ASN 1 2HB ASN 1 -8.539 9.122 -5.078
5 HD21 ASN 1 1HD2 ASN 1 -7.083 9.073 -8.234
6 HD22 ASN 1 2HD2 ASN 1 -5.646 9.987 -7.828
7 HA PRO 2 HA PRO 2 -4.687 5.702 -3.400
8 HB2 PRO 2 1HB PRO 2 -2.450 5.213 -4.982
9 HB3 PRO 2 2HB PRO 2 -3.911 4.186 -4.810
10 HG2 PRO 2 1HG PRO 2 -3.224 6.050 -7.050
11 HG3 PRO 2 2HG PRO 2 -4.165 4.529 -7.089
12 HD2 PRO 2 1HD PRO 2 -5.280 7.017 -7.147
13 HD3 PRO 2 2HD PRO 2 -6.061 5.466 -6.702
14 H GLU 3 H GLU 3 -4.081 8.703 -5.121
15 HA GLU 3 HA GLU 3 -1.877 9.551 -3.357
16 HB2 GLU 3 1HB GLU 3 -3.640 10.803 -5.478
17 HB3 GLU 3 2HB GLU 3 -3.013 11.865 -4.221
18 HG2 GLU 3 1HG GLU 3 -0.746 11.228 -4.672
19 HG3 GLU 3 2HG GLU 3 -1.256 9.935 -5.757
20 H ASP 4 H ASP 4 -5.412 9.771 -3.555
21 HA ASP 4 HA ASP 4 -5.916 11.470 -1.400
22 HB2 ASP 4 1HB ASP 4 -7.363 9.659 -3.130
23 HB3 ASP 4 2HB ASP 4 -7.949 9.417 -1.492
24 H TRP 5 H TRP 5 -5.072 8.063 -1.329
25 HA TRP 5 HA TRP 5 -5.781 7.845 1.541
26 HB2 TRP 5 1HB TRP 5 -5.169 5.648 -0.369
27 HB3 TRP 5 2HB TRP 5 -5.822 5.527 1.256
28 HD1 TRP 5 HD TRP 5 -8.178 7.566 1.112
29 HE1 TRP 5 1HE TRP 5 -10.274 6.997 -0.208
30 HE3 TRP 5 3HE TRP 5 -6.047 4.420 -2.206
31 HZ2 TRP 5 2HZ TRP 5 -10.968 5.117 -2.374
32 HZ3 TRP 5 3HZ TRP 5 -7.432 3.194 -3.911
33 HH2 TRP 5 HH TRP 5 -9.903 3.466 -3.939
34 H PHE 6 H PHE 6 -3.122 8.727 -0.148
35 HA PHE 6 HA PHE 6 -1.054 7.031 0.934
36 HB2 PHE 6 1HB PHE 6 -0.793 8.206 -1.132
37 HB3 PHE 6 2HB PHE 6 -1.063 9.755 -0.341
38 HD1 PHE 6 2HD PHE 6 1.271 6.888 -0.668
39 HD2 PHE 6 1HD PHE 6 0.723 10.827 1.001
40 HE1 PHE 6 2HE PHE 6 3.720 7.058 -0.272
41 HE2 PHE 6 1HE PHE 6 3.149 10.970 1.447
42 HZ PHE 6 HZ PHE 6 4.646 9.097 0.754
43 H THR 7 H THR 7 -0.573 7.013 3.077
44 HA THR 7 HA THR 7 -0.418 9.578 4.535
45 HB THR 7 HB THR 7 -2.036 8.655 5.800
46 HG1 THR 7 1HG THR 7 -1.155 8.039 7.626
47 HG21 THR 7 3HG2 THR 7 -2.376 6.319 6.435
48 HG22 THR 7 1HG2 THR 7 -2.417 6.524 4.688
49 HG23 THR 7 2HG2 THR 7 -0.958 5.846 5.481
50 HA PRO 8 HA PRO 8 3.844 8.013 4.521
51 HB2 PRO 8 1HB PRO 8 5.113 10.260 5.291
52 HB3 PRO 8 2HB PRO 8 4.458 10.071 3.638
53 HG2 PRO 8 1HG PRO 8 3.192 11.525 5.984
54 HG3 PRO 8 2HG PRO 8 3.357 12.091 4.284
55 HD2 PRO 8 1HD PRO 8 1.089 10.909 5.287
56 HD3 PRO 8 2HD PRO 8 1.578 10.790 3.565
57 H ASP 9 H ASP 9 1.754 9.420 7.036
58 HA ASP 9 HA ASP 9 3.378 9.328 9.265
59 HB2 ASP 9 1HB ASP 9 0.399 8.695 9.136
60 HB3 ASP 9 2HB ASP 9 1.297 9.249 10.503
61 H THR 10 H THR 10 1.701 6.735 7.580
62 HA THR 10 HA THR 10 3.180 4.807 9.306
63 HB THR 10 HB THR 10 0.915 4.902 10.068
64 HG1 THR 10 1HG THR 10 1.482 2.532 8.653
65 HG21 THR 10 3HG2 THR 10 -1.001 4.182 8.707
66 HG22 THR 10 1HG2 THR 10 -0.290 5.676 8.117
67 HG23 THR 10 2HG2 THR 10 0.024 4.145 7.259
68 H CYS 11 H CYS 11 3.958 5.954 6.647
69 HA CYS 11 HA CYS 11 4.269 3.309 5.340
70 HB2 CYS 11 1HB CYS 11 2.470 4.728 4.208
71 HB3 CYS 11 2HB CYS 11 3.724 5.865 3.799
72 H ALA 12 H ALA 12 6.258 2.939 4.457
73 HA ALA 12 HA ALA 12 8.421 4.676 5.327
74 HB1 ALA 12 1HB ALA 12 8.544 2.225 5.534
75 HB2 ALA 12 2HB ALA 12 8.414 2.047 3.766
76 HB3 ALA 12 3HB ALA 12 9.829 2.836 4.490
77 H TYR 13 H TYR 13 6.467 4.827 2.574
78 HA TYR 13 HA TYR 13 8.702 5.652 0.800
79 HB2 TYR 13 1HB TYR 13 5.899 4.690 0.220
80 HB3 TYR 13 2HB TYR 13 6.859 5.544 -1.002
81 HD1 TYR 13 2HD TYR 13 6.685 2.442 1.038
82 HD2 TYR 13 1HD TYR 13 8.683 4.547 -2.125
83 HE1 TYR 13 2HE TYR 13 7.914 0.385 0.471
84 HE2 TYR 13 1HE TYR 13 9.910 2.471 -2.736
85 HH TYR 13 HH TYR 13 9.734 -0.490 -0.805
86 H GLY 14 H GLY 14 8.339 7.567 -0.505
87 HA2 GLY 14 1HA GLY 14 6.878 9.740 0.925
88 HA3 GLY 14 2HA GLY 14 8.254 9.920 -0.177
89 H ASP 15 H ASP 15 6.895 7.765 -2.023
90 HA ASP 15 HA ASP 15 5.013 9.688 -3.331
91 HB2 ASP 15 1HB ASP 15 7.318 8.307 -4.367
92 HB3 ASP 15 2HB ASP 15 5.931 7.447 -4.975
93 H SER 16 H SER 16 3.097 9.096 -3.891
94 HA SER 16 HA SER 16 1.829 6.870 -2.667
95 HB2 SER 16 1HB SER 16 -0.002 7.792 -4.359
96 HB3 SER 16 2HB SER 16 0.430 8.670 -2.908
97 HG SER 16 HG SER 16 1.431 10.166 -4.046
98 H ASN 17 H ASN 17 2.987 7.473 -5.998
99 HA ASN 17 HA ASN 17 1.821 5.082 -7.204
100 HB2 ASN 17 1HB ASN 17 2.851 7.191 -8.332
101 HB3 ASN 17 2HB ASN 17 4.416 6.429 -8.064
102 HD21 ASN 17 1HD2 ASN 17 2.986 3.616 -8.639
103 HD22 ASN 17 2HD2 ASN 17 2.933 3.710 -10.398
104 H THR 18 H THR 18 5.055 5.892 -5.840
105 HA THR 18 HA THR 18 6.048 3.303 -6.340
106 HB THR 18 HB THR 18 6.991 5.333 -4.267
107 HG1 THR 18 1HG THR 18 7.121 5.287 -7.080
108 HG21 THR 18 3HG2 THR 18 9.171 4.363 -4.564
109 HG22 THR 18 1HG2 THR 18 8.039 3.045 -4.204
110 HG23 THR 18 2HG2 THR 18 8.601 3.291 -5.864
111 H ALA 19 H ALA 19 4.631 4.800 -3.360
112 HA ALA 19 HA ALA 19 4.835 2.636 -1.646
113 HB1 ALA 19 1HB ALA 19 4.051 4.822 -0.933
114 HB2 ALA 19 2HB ALA 19 2.523 4.601 -1.802
115 HB3 ALA 19 3HB ALA 19 2.934 3.545 -0.428
116 H TRP 20 H TRP 20 1.888 3.394 -3.633
117 HA TRP 20 HA TRP 20 0.376 1.110 -3.152
118 HB2 TRP 20 1HB TRP 20 -0.452 3.116 -4.270
119 HB3 TRP 20 2HB TRP 20 0.593 2.829 -5.652
120 HD1 TRP 20 HD TRP 20 -0.035 0.743 -7.250
121 HE1 TRP 20 1HE TRP 20 -2.327 -0.239 -7.882
122 HE3 TRP 20 3HE TRP 20 -2.769 2.467 -3.300
123 HZ2 TRP 20 2HZ TRP 20 -4.982 -0.365 -6.744
124 HZ3 TRP 20 3HZ TRP 20 -5.147 1.817 -3.030
125 HH2 TRP 20 HH TRP 20 -6.279 0.446 -4.795
126 H THR 21 H THR 21 2.574 1.635 -6.008
127 HA THR 21 HA THR 21 2.259 -0.896 -7.102
128 HB THR 21 HB THR 21 4.454 1.193 -7.159
129 HG1 THR 21 1HG THR 21 2.680 0.540 -9.250
130 HG21 THR 21 3HG2 THR 21 5.048 0.196 -9.370
131 HG22 THR 21 1HG2 THR 21 5.592 -0.682 -7.933
132 HG23 THR 21 2HG2 THR 21 4.173 -1.267 -8.853
133 H THR 22 H THR 22 4.505 0.114 -4.456
134 HA THR 22 HA THR 22 5.909 -2.421 -4.452
135 HB THR 22 HB THR 22 5.517 -0.435 -2.206
136 HG1 THR 22 1HG THR 22 6.407 0.638 -3.907
137 HG21 THR 22 3HG2 THR 22 6.450 -2.617 -1.504
138 HG22 THR 22 1HG2 THR 22 7.748 -2.457 -2.705
139 HG23 THR 22 2HG2 THR 22 7.626 -1.330 -1.332
140 H CYS 23 H CYS 23 3.000 -1.120 -2.649
141 HA CYS 23 HA CYS 23 2.558 -3.535 -1.147
142 HB2 CYS 23 1HB CYS 23 0.391 -1.722 -2.185
143 HB3 CYS 23 2HB CYS 23 0.373 -2.764 -0.782
144 H THR 24 H THR 24 1.942 -2.838 -4.592
145 HA THR 24 HA THR 24 0.210 -5.220 -4.650
146 HB THR 24 HB THR 24 -0.639 -4.332 -6.739
147 HG1 THR 24 1HG THR 24 -0.146 -2.222 -7.300
148 HG21 THR 24 3HG2 THR 24 -1.931 -2.471 -5.832
149 HG22 THR 24 1HG2 THR 24 -1.747 -3.704 -4.583
150 HG23 THR 24 2HG2 THR 24 -0.764 -2.234 -4.523
151 H THR 25 H THR 25 3.410 -4.923 -4.958
152 HA THR 25 HA THR 25 3.480 -7.030 -7.043
153 HB THR 25 HB THR 25 5.683 -6.157 -7.725
154 HG1 THR 25 1HG THR 25 5.014 -3.803 -6.322
155 HG21 THR 25 3HG2 THR 25 4.983 -4.080 -8.927
156 HG22 THR 25 1HG2 THR 25 3.853 -5.421 -9.147
157 HG23 THR 25 2HG2 THR 25 3.450 -4.088 -8.048
158 HA PRO 26 HA PRO 26 5.172 -9.349 -3.850
159 HB2 PRO 26 1HB PRO 26 7.060 -11.016 -5.030
160 HB3 PRO 26 2HB PRO 26 5.293 -11.232 -5.136
161 HG2 PRO 26 1HG PRO 26 7.143 -9.943 -7.138
162 HG3 PRO 26 2HG PRO 26 5.775 -11.070 -7.439
163 HD2 PRO 26 1HD PRO 26 5.560 -8.361 -7.756
164 HD3 PRO 26 2HD PRO 26 4.191 -9.345 -7.169
165 H GLY 27 H GLY 27 6.671 -9.164 -2.258
166 HA2 GLY 27 1HA GLY 27 9.366 -8.328 -2.479
167 HA3 GLY 27 2HA GLY 27 8.363 -6.896 -2.332
168 H GLN 28 H GLN 28 9.525 -6.639 -0.319
169 HA GLN 28 HA GLN 28 9.301 -8.347 1.944
170 HB2 GLN 28 1HB GLN 28 9.823 -6.204 3.202
171 HB3 GLN 28 2HB GLN 28 11.007 -6.764 2.063
172 HG2 GLN 28 1HG GLN 28 9.119 -4.759 0.917
173 HG3 GLN 28 2HG GLN 28 10.045 -4.180 2.280
174 HE21 GLN 28 1HE2 GLN 28 10.172 -4.200 -1.042
175 HE22 GLN 28 2HE2 GLN 28 11.913 -4.255 -1.239
176 H THR 29 H THR 29 7.236 -5.750 0.769
177 HA THR 29 HA THR 29 5.131 -6.241 2.794
178 HB THR 29 HB THR 29 5.215 -3.680 3.136
179 HG1 THR 29 1HG THR 29 6.716 -2.874 1.823
180 HG21 THR 29 3HG2 THR 29 7.600 -5.207 4.262
181 HG22 THR 29 1HG2 THR 29 6.751 -3.822 4.964
182 HG23 THR 29 2HG2 THR 29 5.936 -5.391 4.846
183 H CYS 30 H CYS 30 4.396 -7.267 0.804
184 HA CYS 30 HA CYS 30 3.417 -5.532 -1.364
185 HB2 CYS 30 1HB CYS 30 4.359 -7.733 -1.931
186 HB3 CYS 30 2HB CYS 30 3.115 -8.522 -0.959
187 H TYR 31 H TYR 31 1.051 -7.679 -1.009
188 HA TYR 31 HA TYR 31 -1.095 -6.325 -0.377
189 HB2 TYR 31 1HB TYR 31 -0.995 -8.733 -0.809
190 HB3 TYR 31 2HB TYR 31 -0.379 -9.027 0.795
191 HD1 TYR 31 1HD TYR 31 -1.841 -8.537 2.835
192 HD2 TYR 31 2HD TYR 31 -3.378 -8.634 -1.214
193 HE1 TYR 31 1HE TYR 31 -4.090 -8.971 3.711
194 HE2 TYR 31 2HE TYR 31 -5.664 -8.943 -0.332
195 HH TYR 31 HH TYR 31 -6.363 -9.379 3.169
196 H THR 32 H THR 32 0.973 -7.410 2.300
197 HA THR 32 HA THR 32 -0.707 -6.264 4.319
198 HB THR 32 HB THR 32 2.260 -6.878 4.609
199 HG1 THR 32 1HG THR 32 0.065 -8.657 4.924
200 HG21 THR 32 3HG2 THR 32 -0.170 -6.836 6.451
201 HG22 THR 32 1HG2 THR 32 1.399 -7.597 6.902
202 HG23 THR 32 2HG2 THR 32 1.316 -5.862 6.575
203 H CYS 33 H CYS 33 1.749 -4.746 2.308
204 HA CYS 33 HA CYS 33 2.205 -2.364 3.854
205 HB2 CYS 33 1HB CYS 33 3.690 -2.704 2.149
206 HB3 CYS 33 2HB CYS 33 2.497 -3.158 0.976
207 H CYS 34 H CYS 34 -0.383 -3.438 1.573
208 HA CYS 34 HA CYS 34 -1.834 -1.111 1.213
209 HB2 CYS 34 1HB CYS 34 -2.942 -3.765 1.913
210 HB3 CYS 34 2HB CYS 34 -3.786 -2.429 1.174
211 H SER 35 H SER 35 -1.606 -3.118 4.124
212 HA SER 35 HA SER 35 -3.658 -1.597 5.569
213 HB2 SER 35 1HB SER 35 -3.332 -3.420 7.273
214 HB3 SER 35 2HB SER 35 -3.925 -3.886 5.689
215 HG SER 35 HG SER 35 -1.179 -4.104 6.005
216 H SER 36 H SER 36 -0.200 -1.770 5.468
217 HA SER 36 HA SER 36 -0.112 0.348 7.563
218 HB2 SER 36 1HB SER 36 0.725 -1.800 8.499
219 HB3 SER 36 2HB SER 36 2.059 -1.737 7.328
220 HG SER 36 HG SER 36 2.487 -0.791 9.439
221 H CYS 37 H CYS 37 -0.533 1.436 5.604
222 HA CYS 37 HA CYS 37 1.532 3.102 4.904
223 HB2 CYS 37 1HB CYS 37 1.275 0.904 2.943
224 HB3 CYS 37 2HB CYS 37 1.232 2.503 2.250
225 H PHE 38 H PHE 38 -1.817 1.946 4.347
226 HA PHE 38 HA PHE 38 -2.491 4.717 3.453
227 HB2 PHE 38 1HB PHE 38 -3.829 2.163 2.526
228 HB3 PHE 38 2HB PHE 38 -4.346 3.788 2.134
229 HD1 PHE 38 1HD PHE 38 -1.518 4.977 1.565
230 HD2 PHE 38 2HD PHE 38 -3.534 1.385 0.265
231 HE1 PHE 38 1HE PHE 38 0.051 4.789 -0.303
232 HE2 PHE 38 2HE PHE 38 -1.907 1.181 -1.598
233 HZ PHE 38 HZ PHE 38 -0.110 2.891 -1.875
234 H ASP 39 H ASP 39 -4.644 5.403 3.914
235 HA ASP 39 HA ASP 39 -5.749 4.718 6.486
236 HB2 ASP 39 1HB ASP 39 -7.298 5.651 4.047
237 HB3 ASP 39 2HB ASP 39 -7.802 5.788 5.713
238 H VAL 40 H VAL 40 -7.769 3.597 6.813
239 HA VAL 40 HA VAL 40 -8.088 1.104 5.906
240 HB VAL 40 HB VAL 40 -9.136 2.039 7.839
241 HG11 VAL 40 1HG1 VAL 40 -9.658 4.330 6.983
242 HG12 VAL 40 2HG1 VAL 40 -11.028 3.634 6.083
243 HG13 VAL 40 3HG1 VAL 40 -11.002 3.578 7.851
244 HG21 VAL 40 3HG2 VAL 40 -11.358 1.167 5.975
245 HG22 VAL 40 1HG2 VAL 40 -10.185 0.067 6.732
246 HG23 VAL 40 2HG2 VAL 40 -11.300 1.007 7.748
247 H VAL 41 H VAL 41 -9.256 4.010 4.272
248 HA VAL 41 HA VAL 41 -11.037 2.690 2.454
249 HB VAL 41 HB VAL 41 -9.639 5.353 1.971
250 HG11 VAL 41 1HG1 VAL 41 -12.450 4.299 1.295
251 HG12 VAL 41 2HG1 VAL 41 -11.804 5.883 0.854
252 HG13 VAL 41 3HG1 VAL 41 -11.105 4.408 0.159
253 HG21 VAL 41 3HG2 VAL 41 -10.415 5.665 4.198
254 HG22 VAL 41 1HG2 VAL 41 -11.643 6.380 3.176
255 HG23 VAL 41 2HG2 VAL 41 -11.934 4.790 3.894
256 H GLY 42 H GLY 42 -7.580 3.771 2.182
257 HA2 GLY 42 1HA GLY 42 -7.372 2.704 -0.525
258 HA3 GLY 42 2HA GLY 42 -6.064 3.399 0.451
259 H GLU 43 H GLU 43 -6.694 1.583 2.751
260 HA GLU 43 HA GLU 43 -5.037 -0.580 2.309
261 HB2 GLU 43 1HB GLU 43 -5.574 0.218 4.496
262 HB3 GLU 43 2HB GLU 43 -7.295 -0.053 4.237
263 HG2 GLU 43 1HG GLU 43 -7.059 -2.445 4.387
264 HG3 GLU 43 2HG GLU 43 -5.311 -2.322 4.407
265 H GLN 44 H GLN 44 -8.692 -0.703 2.309
266 HA GLN 44 HA GLN 44 -8.745 -3.405 1.480
267 HB2 GLN 44 1HB GLN 44 -10.572 -2.243 2.662
268 HB3 GLN 44 2HB GLN 44 -10.762 -1.109 1.321
269 HG2 GLN 44 1HG GLN 44 -12.503 -2.791 1.232
270 HG3 GLN 44 2HG GLN 44 -11.449 -2.905 -0.160
271 HE21 GLN 44 1HE2 GLN 44 -11.711 -5.152 -0.675
272 HE22 GLN 44 2HE2 GLN 44 -11.128 -6.387 0.395
273 H ALA 45 H ALA 45 -8.813 -0.298 -0.323
274 HA ALA 45 HA ALA 45 -9.501 -1.483 -2.803
275 HB1 ALA 45 1HB ALA 45 -9.792 0.931 -2.351
276 HB2 ALA 45 2HB ALA 45 -8.028 1.130 -2.233
277 HB3 ALA 45 3HB ALA 45 -8.772 0.693 -3.785
278 H CYS 46 H CYS 46 -6.376 -0.826 -1.259
279 HA CYS 46 HA CYS 46 -4.726 -1.633 -3.490
280 HB2 CYS 46 1HB CYS 46 -3.917 -0.113 -1.809
281 HB3 CYS 46 2HB CYS 46 -4.326 -1.208 -0.507
282 H GLN 47 H GLN 47 -5.706 -3.322 -0.404
283 HA GLN 47 HA GLN 47 -4.467 -5.718 -1.014
284 HB2 GLN 47 1HB GLN 47 -7.021 -5.217 0.548
285 HB3 GLN 47 2HB GLN 47 -6.275 -6.788 0.429
286 HG2 GLN 47 1HG GLN 47 -4.098 -5.808 1.237
287 HG3 GLN 47 2HG GLN 47 -4.968 -4.288 1.489
288 HE21 GLN 47 1HE2 GLN 47 -3.463 -5.967 3.552
289 HE22 GLN 47 2HE2 GLN 47 -4.770 -6.351 4.668
290 H MET 48 H MET 48 -7.658 -4.696 -2.242
291 HA MET 48 HA MET 48 -8.128 -7.189 -3.632
292 HB2 MET 48 1HB MET 48 -9.980 -6.202 -4.575
293 HB3 MET 48 2HB MET 48 -9.862 -5.511 -2.944
294 HG2 MET 48 1HG MET 48 -9.223 -3.430 -3.735
295 HG3 MET 48 2HG MET 48 -8.831 -4.006 -5.359
296 HE1 MET 48 3HE MET 48 -12.341 -4.536 -6.995
297 HE2 MET 48 1HE MET 48 -10.600 -4.879 -7.081
298 HE3 MET 48 2HE MET 48 -11.640 -5.804 -5.979
299 H SER 49 H SER 49 -5.969 -4.839 -4.235
300 HA SER 49 HA SER 49 -5.658 -5.385 -7.142
301 HB2 SER 49 1HB SER 49 -6.149 -3.001 -6.165
302 HB3 SER 49 2HB SER 49 -4.446 -3.019 -5.698
303 HG SER 49 HG SER 49 -3.910 -3.267 -7.900
304 H ALA 50 H ALA 50 -4.425 -6.437 -4.218
305 HA ALA 50 HA ALA 50 -1.611 -5.958 -4.871
306 HB1 ALA 50 1HB ALA 50 -2.993 -6.765 -2.313
307 HB2 ALA 50 2HB ALA 50 -1.231 -6.608 -2.515
308 HB3 ALA 50 3HB ALA 50 -2.278 -5.193 -2.708
309 H GLN 51 H GLN 51 -1.016 -7.415 -6.348
310 HA GLN 51 HA GLN 51 -1.332 -10.304 -5.733
311 HB2 GLN 51 1HB GLN 51 -1.037 -10.593 -8.177
312 HB3 GLN 51 2HB GLN 51 -2.579 -9.943 -7.664
313 HG2 GLN 51 1HG GLN 51 -2.256 -7.935 -8.701
314 HG3 GLN 51 2HG GLN 51 -0.532 -7.878 -8.342
315 HE21 GLN 51 1HE2 GLN 51 0.922 -9.336 -9.544
316 HE22 GLN 51 2HE2 GLN 51 0.517 -9.816 -11.184
317 H CYS 52 H CYS 52 0.398 -10.406 -4.486
318 HA CYS 52 HA CYS 52 3.115 -10.325 -5.527
319 HB2 CYS 52 1HB CYS 52 3.241 -12.055 -3.553
320 HB3 CYS 52 2HB CYS 52 3.247 -10.326 -3.250
Start of MODEL 10
1 H1 ASN 1 H ASN 1 -8.961 8.281 -4.825
2 HA ASN 1 HA ASN 1 -7.254 7.021 -6.894
3 HB2 ASN 1 1HB ASN 1 -5.903 9.108 -6.836
4 HB3 ASN 1 2HB ASN 1 -7.490 9.376 -7.506
5 HD21 ASN 1 1HD2 ASN 1 -5.409 11.093 -5.732
6 HD22 ASN 1 2HD2 ASN 1 -6.494 11.769 -4.516
7 HA PRO 2 HA PRO 2 -4.879 5.799 -3.406
8 HB2 PRO 2 1HB PRO 2 -2.392 5.263 -4.554
9 HB3 PRO 2 2HB PRO 2 -3.851 4.241 -4.656
10 HG2 PRO 2 1HG PRO 2 -2.809 6.186 -6.680
11 HG3 PRO 2 2HG PRO 2 -3.472 4.531 -6.916
12 HD2 PRO 2 1HD PRO 2 -4.951 6.804 -7.311
13 HD3 PRO 2 2HD PRO 2 -5.672 5.268 -6.754
14 H GLU 3 H GLU 3 -4.268 8.841 -4.861
15 HA GLU 3 HA GLU 3 -2.042 9.534 -3.068
16 HB2 GLU 3 1HB GLU 3 -3.304 10.625 -5.471
17 HB3 GLU 3 2HB GLU 3 -3.197 11.871 -4.245
18 HG2 GLU 3 1HG GLU 3 -0.850 11.781 -4.135
19 HG3 GLU 3 2HG GLU 3 -0.793 10.131 -4.754
20 H ASP 4 H ASP 4 -5.525 9.984 -3.321
21 HA ASP 4 HA ASP 4 -6.022 11.703 -1.134
22 HB2 ASP 4 1HB ASP 4 -7.499 9.787 -2.862
23 HB3 ASP 4 2HB ASP 4 -8.170 9.928 -1.308
24 H TRP 5 H TRP 5 -5.156 8.322 -1.259
25 HA TRP 5 HA TRP 5 -6.232 7.768 1.463
26 HB2 TRP 5 1HB TRP 5 -5.401 5.879 -0.704
27 HB3 TRP 5 2HB TRP 5 -6.134 5.469 0.850
28 HD1 TRP 5 HD TRP 5 -8.530 7.557 0.853
29 HE1 TRP 5 1HE TRP 5 -10.513 7.198 -0.690
30 HE3 TRP 5 3HE TRP 5 -6.279 4.562 -2.486
31 HZ2 TRP 5 2HZ TRP 5 -11.049 5.751 -3.178
32 HZ3 TRP 5 3HZ TRP 5 -7.499 3.675 -4.524
33 HH2 TRP 5 HH TRP 5 -9.889 4.257 -4.852
34 H PHE 6 H PHE 6 -3.335 8.646 0.078
35 HA PHE 6 HA PHE 6 -1.445 6.766 1.114
36 HB2 PHE 6 1HB PHE 6 -1.146 8.408 -0.737
37 HB3 PHE 6 2HB PHE 6 -1.316 9.734 0.401
38 HD1 PHE 6 2HD PHE 6 0.784 6.660 -0.159
39 HD2 PHE 6 1HD PHE 6 0.654 10.755 1.200
40 HE1 PHE 6 2HE PHE 6 3.260 6.677 0.070
41 HE2 PHE 6 1HE PHE 6 3.110 10.749 1.438
42 HZ PHE 6 HZ PHE 6 4.414 8.697 0.867
43 H THR 7 H THR 7 -0.490 6.672 3.256
44 HA THR 7 HA THR 7 -0.704 9.090 4.900
45 HB THR 7 HB THR 7 -1.281 7.813 6.882
46 HG1 THR 7 1HG THR 7 -2.193 5.691 6.575
47 HG21 THR 7 3HG2 THR 7 -3.636 7.414 6.459
48 HG22 THR 7 1HG2 THR 7 -3.123 8.871 5.601
49 HG23 THR 7 2HG2 THR 7 -3.371 7.352 4.714
50 HA PRO 8 HA PRO 8 3.558 7.686 4.400
51 HB2 PRO 8 1HB PRO 8 4.901 9.941 5.137
52 HB3 PRO 8 2HB PRO 8 4.015 9.793 3.589
53 HG2 PRO 8 1HG PRO 8 3.036 11.038 6.181
54 HG3 PRO 8 2HG PRO 8 2.968 11.737 4.539
55 HD2 PRO 8 1HD PRO 8 0.851 10.477 5.631
56 HD3 PRO 8 2HD PRO 8 1.220 10.302 3.883
57 H ASP 9 H ASP 9 2.121 8.683 7.432
58 HA ASP 9 HA ASP 9 4.302 8.642 9.146
59 HB2 ASP 9 1HB ASP 9 1.345 8.154 9.451
60 HB3 ASP 9 2HB ASP 9 2.411 7.787 10.796
61 H THR 10 H THR 10 2.265 5.855 8.110
62 HA THR 10 HA THR 10 3.926 4.108 9.793
63 HB THR 10 HB THR 10 2.384 2.286 8.950
64 HG1 THR 10 1HG THR 10 0.915 4.537 7.999
65 HG21 THR 10 3HG2 THR 10 2.119 3.374 11.132
66 HG22 THR 10 1HG2 THR 10 1.148 4.667 10.400
67 HG23 THR 10 2HG2 THR 10 0.542 3.002 10.426
68 H CYS 11 H CYS 11 4.170 5.286 6.606
69 HA CYS 11 HA CYS 11 5.436 2.778 5.627
70 HB2 CYS 11 1HB CYS 11 3.233 4.022 4.751
71 HB3 CYS 11 2HB CYS 11 4.387 4.931 3.817
72 H ALA 12 H ALA 12 7.550 2.878 4.781
73 HA ALA 12 HA ALA 12 9.107 5.250 5.317
74 HB1 ALA 12 1HB ALA 12 9.841 2.809 3.662
75 HB2 ALA 12 2HB ALA 12 10.953 3.928 4.467
76 HB3 ALA 12 3HB ALA 12 9.908 2.870 5.443
77 H TYR 13 H TYR 13 6.899 5.027 2.961
78 HA TYR 13 HA TYR 13 8.592 5.741 0.637
79 HB2 TYR 13 1HB TYR 13 5.836 4.514 1.023
80 HB3 TYR 13 2HB TYR 13 6.301 5.277 -0.494
81 HD1 TYR 13 1HD TYR 13 7.973 2.763 1.902
82 HD2 TYR 13 2HD TYR 13 6.927 3.913 -2.102
83 HE1 TYR 13 1HE TYR 13 9.179 0.798 1.034
84 HE2 TYR 13 2HE TYR 13 8.191 1.983 -3.002
85 HH TYR 13 HH TYR 13 8.917 -0.242 -2.261
86 H GLY 14 H GLY 14 8.057 7.539 -0.627
87 HA2 GLY 14 1HA GLY 14 6.734 9.749 0.873
88 HA3 GLY 14 2HA GLY 14 8.098 9.917 -0.234
89 H ASP 15 H ASP 15 6.411 7.730 -1.954
90 HA ASP 15 HA ASP 15 4.555 9.747 -3.135
91 HB2 ASP 15 1HB ASP 15 6.799 8.526 -4.423
92 HB3 ASP 15 2HB ASP 15 5.400 7.691 -5.034
93 H SER 16 H SER 16 2.549 9.050 -3.670
94 HA SER 16 HA SER 16 1.651 6.716 -2.345
95 HB2 SER 16 1HB SER 16 0.048 8.209 -4.400
96 HB3 SER 16 2HB SER 16 -0.495 7.464 -2.884
97 HG SER 16 HG SER 16 0.529 9.104 -1.733
98 H ASN 17 H ASN 17 2.440 7.294 -5.768
99 HA ASN 17 HA ASN 17 1.336 4.704 -6.709
100 HB2 ASN 17 1HB ASN 17 2.654 7.038 -7.895
101 HB3 ASN 17 2HB ASN 17 3.356 5.530 -8.464
102 HD21 ASN 17 1HD2 ASN 17 0.314 7.416 -8.335
103 HD22 ASN 17 2HD2 ASN 17 -0.477 6.479 -9.567
104 H THR 18 H THR 18 4.634 5.948 -5.914
105 HA THR 18 HA THR 18 5.869 3.458 -6.327
106 HB THR 18 HB THR 18 6.589 5.742 -4.445
107 HG1 THR 18 1HG THR 18 7.274 5.111 -7.140
108 HG21 THR 18 3HG2 THR 18 8.130 4.169 -3.793
109 HG22 THR 18 1HG2 THR 18 8.106 3.298 -5.325
110 HG23 THR 18 2HG2 THR 18 8.971 4.856 -5.161
111 H ALA 19 H ALA 19 4.430 4.804 -3.339
112 HA ALA 19 HA ALA 19 4.726 2.560 -1.658
113 HB1 ALA 19 1HB ALA 19 2.561 4.688 -1.856
114 HB2 ALA 19 2HB ALA 19 2.623 3.476 -0.585
115 HB3 ALA 19 3HB ALA 19 3.957 4.636 -0.754
116 H TRP 20 H TRP 20 1.726 3.368 -3.525
117 HA TRP 20 HA TRP 20 0.247 1.088 -3.085
118 HB2 TRP 20 1HB TRP 20 -0.615 3.067 -4.149
119 HB3 TRP 20 2HB TRP 20 0.464 2.870 -5.526
120 HD1 TRP 20 HD TRP 20 -0.133 0.959 -7.284
121 HE1 TRP 20 1HE TRP 20 -2.390 -0.077 -7.966
122 HE3 TRP 20 3HE TRP 20 -2.869 2.238 -3.201
123 HZ2 TRP 20 2HZ TRP 20 -5.066 -0.224 -6.921
124 HZ3 TRP 20 3HZ TRP 20 -5.285 1.674 -3.048
125 HH2 TRP 20 HH TRP 20 -6.400 0.453 -4.931
126 H THR 21 H THR 21 2.455 1.589 -5.934
127 HA THR 21 HA THR 21 2.099 -1.001 -6.940
128 HB THR 21 HB THR 21 4.398 0.949 -7.301
129 HG1 THR 21 1HG THR 21 1.925 0.671 -8.684
130 HG21 THR 21 3HG2 THR 21 3.340 -1.317 -9.010
131 HG22 THR 21 1HG2 THR 21 4.348 -0.005 -9.646
132 HG23 THR 21 2HG2 THR 21 4.992 -1.092 -8.385
133 H THR 22 H THR 22 4.358 0.171 -4.390
134 HA THR 22 HA THR 22 5.895 -2.292 -4.365
135 HB THR 22 HB THR 22 5.436 -0.143 -2.264
136 HG1 THR 22 1HG THR 22 6.584 0.563 -3.971
137 HG21 THR 22 3HG2 THR 22 7.487 -2.392 -2.239
138 HG22 THR 22 1HG2 THR 22 7.275 -1.094 -1.027
139 HG23 THR 22 2HG2 THR 22 6.049 -2.331 -1.202
140 H CYS 23 H CYS 23 3.019 -1.042 -2.531
141 HA CYS 23 HA CYS 23 2.597 -3.400 -1.022
142 HB2 CYS 23 1HB CYS 23 0.400 -1.619 -2.098
143 HB3 CYS 23 2HB CYS 23 0.364 -2.648 -0.691
144 H THR 24 H THR 24 1.583 -2.684 -4.435
145 HA THR 24 HA THR 24 -0.064 -5.039 -4.330
146 HB THR 24 HB THR 24 -0.592 -4.521 -6.684
147 HG1 THR 24 1HG THR 24 0.337 -3.000 -7.712
148 HG21 THR 24 3HG2 THR 24 -1.839 -2.464 -6.260
149 HG22 THR 24 1HG2 THR 24 -1.960 -3.560 -4.870
150 HG23 THR 24 2HG2 THR 24 -0.894 -2.152 -4.795
151 H THR 25 H THR 25 3.303 -4.865 -4.737
152 HA THR 25 HA THR 25 3.249 -7.228 -6.549
153 HB THR 25 HB THR 25 5.186 -6.314 -7.702
154 HG1 THR 25 1HG THR 25 4.797 -3.872 -6.360
155 HG21 THR 25 3HG2 THR 25 4.185 -4.530 -8.973
156 HG22 THR 25 1HG2 THR 25 2.925 -5.706 -8.550
157 HG23 THR 25 2HG2 THR 25 3.017 -4.170 -7.688
158 HA PRO 26 HA PRO 26 5.726 -9.347 -3.711
159 HB2 PRO 26 1HB PRO 26 7.710 -10.545 -5.322
160 HB3 PRO 26 2HB PRO 26 6.062 -11.171 -5.009
161 HG2 PRO 26 1HG PRO 26 7.047 -9.575 -7.354
162 HG3 PRO 26 2HG PRO 26 5.905 -10.950 -7.341
163 HD2 PRO 26 1HD PRO 26 5.072 -8.395 -7.562
164 HD3 PRO 26 2HD PRO 26 4.133 -9.539 -6.567
165 H GLY 27 H GLY 27 7.050 -8.577 -2.260
166 HA2 GLY 27 1HA GLY 27 9.605 -7.429 -2.544
167 HA3 GLY 27 2HA GLY 27 8.373 -6.151 -2.551
168 H GLN 28 H GLN 28 10.037 -6.104 -0.476
169 HA GLN 28 HA GLN 28 9.712 -7.600 1.755
170 HB2 GLN 28 1HB GLN 28 10.382 -5.630 3.056
171 HB3 GLN 28 2HB GLN 28 11.406 -5.949 1.684
172 HG2 GLN 28 1HG GLN 28 9.229 -3.807 1.727
173 HG3 GLN 28 2HG GLN 28 10.924 -3.533 2.116
174 HE21 GLN 28 1HE2 GLN 28 9.241 -2.388 -0.141
175 HE22 GLN 28 2HE2 GLN 28 10.147 -2.763 -1.578
176 H THR 29 H THR 29 7.320 -5.348 0.607
177 HA THR 29 HA THR 29 5.387 -6.113 2.678
178 HB THR 29 HB THR 29 4.844 -3.829 3.228
179 HG1 THR 29 1HG THR 29 5.822 -3.044 1.183
180 HG21 THR 29 3HG2 THR 29 7.815 -4.106 3.747
181 HG22 THR 29 1HG2 THR 29 6.631 -3.150 4.645
182 HG23 THR 29 2HG2 THR 29 6.525 -4.923 4.663
183 H CYS 30 H CYS 30 4.635 -7.195 0.845
184 HA CYS 30 HA CYS 30 3.487 -5.694 -1.426
185 HB2 CYS 30 1HB CYS 30 4.497 -7.962 -1.854
186 HB3 CYS 30 2HB CYS 30 3.260 -8.673 -0.818
187 H TYR 31 H TYR 31 1.114 -7.543 -1.049
188 HA TYR 31 HA TYR 31 -0.935 -6.300 -0.287
189 HB2 TYR 31 1HB TYR 31 -0.770 -8.721 -0.661
190 HB3 TYR 31 2HB TYR 31 -0.116 -8.958 0.945
191 HD1 TYR 31 1HD TYR 31 -3.153 -8.123 -0.970
192 HD2 TYR 31 2HD TYR 31 -1.529 -9.001 2.906
193 HE1 TYR 31 1HE TYR 31 -5.436 -8.739 -0.163
194 HE2 TYR 31 2HE TYR 31 -3.735 -9.607 3.733
195 HH TYR 31 HH TYR 31 -6.126 -9.801 3.162
196 H THR 32 H THR 32 1.148 -7.408 2.402
197 HA THR 32 HA THR 32 -0.335 -6.353 4.538
198 HB THR 32 HB THR 32 2.621 -6.009 4.803
199 HG1 THR 32 1HG THR 32 3.002 -8.200 4.820
200 HG21 THR 32 3HG2 THR 32 0.474 -7.666 6.157
201 HG22 THR 32 1HG2 THR 32 2.143 -7.377 6.782
202 HG23 THR 32 2HG2 THR 32 0.988 -6.034 6.631
203 H CYS 33 H CYS 33 1.913 -4.630 2.459
204 HA CYS 33 HA CYS 33 2.155 -2.151 3.821
205 HB2 CYS 33 1HB CYS 33 3.679 -2.673 2.173
206 HB3 CYS 33 2HB CYS 33 2.509 -3.171 1.012
207 H CYS 34 H CYS 34 -0.521 -3.475 1.718
208 HA CYS 34 HA CYS 34 -1.742 -1.004 1.166
209 HB2 CYS 34 1HB CYS 34 -2.957 -3.678 1.833
210 HB3 CYS 34 2HB CYS 34 -3.829 -2.362 1.075
211 H SER 35 H SER 35 -1.633 -2.925 4.078
212 HA SER 35 HA SER 35 -3.531 -1.324 5.644
213 HB2 SER 35 1HB SER 35 -2.341 -3.929 5.814
214 HB3 SER 35 2HB SER 35 -1.761 -3.026 7.206
215 HG SER 35 HG SER 35 -3.819 -4.236 7.294
216 H SER 36 H SER 36 0.024 -1.980 5.745
217 HA SER 36 HA SER 36 0.467 0.055 7.699
218 HB2 SER 36 1HB SER 36 2.544 -1.395 6.044
219 HB3 SER 36 2HB SER 36 2.696 -0.754 7.690
220 HG SER 36 HG SER 36 0.909 -2.296 8.171
221 H CYS 37 H CYS 37 -0.517 1.012 4.941
222 HA CYS 37 HA CYS 37 1.545 3.102 4.605
223 HB2 CYS 37 1HB CYS 37 1.495 0.910 2.913
224 HB3 CYS 37 2HB CYS 37 0.386 1.926 2.117
225 H PHE 38 H PHE 38 -1.878 2.225 4.352
226 HA PHE 38 HA PHE 38 -2.528 4.915 3.246
227 HB2 PHE 38 1HB PHE 38 -3.153 2.150 2.193
228 HB3 PHE 38 2HB PHE 38 -4.314 3.433 2.011
229 HD1 PHE 38 1HD PHE 38 -0.499 3.681 1.445
230 HD2 PHE 38 2HD PHE 38 -4.433 3.734 -0.275
231 HE1 PHE 38 1HE PHE 38 0.445 4.428 -0.635
232 HE2 PHE 38 2HE PHE 38 -3.478 4.472 -2.368
233 HZ PHE 38 HZ PHE 38 -1.027 4.885 -2.591
234 H ASP 39 H ASP 39 -4.814 5.440 3.542
235 HA ASP 39 HA ASP 39 -5.955 4.683 6.147
236 HB2 ASP 39 1HB ASP 39 -7.365 5.805 3.702
237 HB3 ASP 39 2HB ASP 39 -8.046 5.684 5.290
238 H VAL 40 H VAL 40 -7.978 3.588 6.322
239 HA VAL 40 HA VAL 40 -8.273 1.098 5.332
240 HB VAL 40 HB VAL 40 -9.389 1.878 7.249
241 HG11 VAL 40 1HG1 VAL 40 -9.748 4.286 6.558
242 HG12 VAL 40 2HG1 VAL 40 -11.114 3.745 5.577
243 HG13 VAL 40 3HG1 VAL 40 -11.152 3.532 7.330
244 HG21 VAL 40 3HG2 VAL 40 -11.634 1.029 6.939
245 HG22 VAL 40 1HG2 VAL 40 -11.560 1.337 5.195
246 HG23 VAL 40 2HG2 VAL 40 -10.519 0.094 5.925
247 H VAL 41 H VAL 41 -9.738 4.084 3.815
248 HA VAL 41 HA VAL 41 -11.271 2.659 1.933
249 HB VAL 41 HB VAL 41 -10.135 5.438 1.485
250 HG11 VAL 41 1HG1 VAL 41 -11.484 4.554 -0.348
251 HG12 VAL 41 2HG1 VAL 41 -12.815 4.185 0.768
252 HG13 VAL 41 3HG1 VAL 41 -12.344 5.869 0.451
253 HG21 VAL 41 3HG2 VAL 41 -10.927 5.558 3.778
254 HG22 VAL 41 1HG2 VAL 41 -12.109 6.339 2.751
255 HG23 VAL 41 2HG2 VAL 41 -12.424 4.697 3.354
256 H GLY 42 H GLY 42 -7.848 3.503 1.983
257 HA2 GLY 42 1HA GLY 42 -7.487 2.896 -0.889
258 HA3 GLY 42 2HA GLY 42 -6.290 3.472 0.279
259 H GLU 43 H GLU 43 -6.629 1.671 2.366
260 HA GLU 43 HA GLU 43 -5.146 -0.565 1.791
261 HB2 GLU 43 1HB GLU 43 -5.600 0.238 4.039
262 HB3 GLU 43 2HB GLU 43 -7.305 -0.156 3.894
263 HG2 GLU 43 1HG GLU 43 -5.439 -2.457 3.474
264 HG3 GLU 43 2HG GLU 43 -5.452 -1.743 5.079
265 H GLN 44 H GLN 44 -8.783 -0.418 1.874
266 HA GLN 44 HA GLN 44 -9.034 -3.181 1.271
267 HB2 GLN 44 1HB GLN 44 -11.414 -2.623 0.950
268 HB3 GLN 44 2HB GLN 44 -10.789 -1.781 2.373
269 HG2 GLN 44 1HG GLN 44 -10.631 0.308 1.064
270 HG3 GLN 44 2HG GLN 44 -11.179 -0.526 -0.385
271 HE21 GLN 44 1HE2 GLN 44 -13.219 0.165 -0.890
272 HE22 GLN 44 2HE2 GLN 44 -14.475 0.377 0.318
273 H ALA 45 H ALA 45 -8.576 -0.415 -0.718
274 HA ALA 45 HA ALA 45 -9.497 -1.687 -3.165
275 HB1 ALA 45 1HB ALA 45 -7.943 0.918 -2.751
276 HB2 ALA 45 2HB ALA 45 -8.652 0.364 -4.289
277 HB3 ALA 45 3HB ALA 45 -9.701 0.738 -2.919
278 H CYS 46 H CYS 46 -6.433 -0.821 -1.637
279 HA CYS 46 HA CYS 46 -4.619 -1.786 -3.598
280 HB2 CYS 46 1HB CYS 46 -4.006 -0.148 -1.936
281 HB3 CYS 46 2HB CYS 46 -4.412 -1.227 -0.620
282 H GLN 47 H GLN 47 -5.577 -3.331 -0.400
283 HA GLN 47 HA GLN 47 -4.514 -5.763 -0.724
284 HB2 GLN 47 1HB GLN 47 -7.302 -5.226 0.309
285 HB3 GLN 47 2HB GLN 47 -6.462 -6.730 0.480
286 HG2 GLN 47 1HG GLN 47 -5.610 -4.148 1.800
287 HG3 GLN 47 2HG GLN 47 -6.449 -5.502 2.530
288 HE21 GLN 47 1HE2 GLN 47 -4.887 -6.297 4.066
289 HE22 GLN 47 2HE2 GLN 47 -3.196 -6.537 3.618
290 H MET 48 H MET 48 -7.319 -4.685 -2.570
291 HA MET 48 HA MET 48 -7.876 -7.350 -3.679
292 HB2 MET 48 1HB MET 48 -8.920 -4.547 -4.205
293 HB3 MET 48 2HB MET 48 -9.494 -5.960 -5.073
294 HG2 MET 48 1HG MET 48 -9.436 -5.898 -2.053
295 HG3 MET 48 2HG MET 48 -10.726 -5.092 -2.938
296 HE1 MET 48 3HE MET 48 -13.088 -7.831 -2.015
297 HE2 MET 48 1HE MET 48 -12.092 -6.678 -1.091
298 HE3 MET 48 2HE MET 48 -12.923 -6.155 -2.574
299 H SER 49 H SER 49 -6.091 -4.428 -4.664
300 HA SER 49 HA SER 49 -5.587 -5.385 -7.370
301 HB2 SER 49 1HB SER 49 -5.806 -2.939 -6.476
302 HB3 SER 49 2HB SER 49 -4.145 -3.137 -5.922
303 HG SER 49 HG SER 49 -5.048 -3.632 -8.579
304 H ALA 50 H ALA 50 -4.292 -5.915 -4.220
305 HA ALA 50 HA ALA 50 -1.537 -6.107 -5.065
306 HB1 ALA 50 1HB ALA 50 -2.000 -5.045 -2.920
307 HB2 ALA 50 2HB ALA 50 -2.912 -6.451 -2.362
308 HB3 ALA 50 3HB ALA 50 -1.155 -6.565 -2.595
309 H GLN 51 H GLN 51 -0.753 -7.818 -6.114
310 HA GLN 51 HA GLN 51 -1.937 -10.489 -5.515
311 HB2 GLN 51 1HB GLN 51 -1.154 -9.245 -8.166
312 HB3 GLN 51 2HB GLN 51 -1.549 -10.962 -7.904
313 HG2 GLN 51 1HG GLN 51 -3.757 -10.389 -7.068
314 HG3 GLN 51 2HG GLN 51 -3.435 -8.667 -7.275
315 HE21 GLN 51 1HE2 GLN 51 -5.540 -9.044 -8.524
316 HE22 GLN 51 2HE2 GLN 51 -5.342 -9.273 -10.272
317 H CYS 52 H CYS 52 -0.450 -10.986 -4.072
318 HA CYS 52 HA CYS 52 2.142 -11.934 -5.159
319 HB2 CYS 52 1HB CYS 52 1.738 -10.512 -2.732
320 HB3 CYS 52 2HB CYS 52 1.838 -12.179 -2.245
Start of MODEL 11
1 H1 ASN 1 H ASN 1 -9.942 8.007 -5.247
2 HA ASN 1 HA ASN 1 -8.115 6.598 -6.095
3 HB2 ASN 1 1HB ASN 1 -6.810 8.345 -7.278
4 HB3 ASN 1 2HB ASN 1 -8.520 8.748 -7.269
5 HD21 ASN 1 1HD2 ASN 1 -5.394 10.056 -6.604
6 HD22 ASN 1 2HD2 ASN 1 -5.989 11.363 -5.580
7 HA PRO 2 HA PRO 2 -4.983 5.808 -3.295
8 HB2 PRO 2 1HB PRO 2 -2.740 5.073 -4.751
9 HB3 PRO 2 2HB PRO 2 -4.270 4.158 -4.665
10 HG2 PRO 2 1HG PRO 2 -3.455 6.129 -6.776
11 HG3 PRO 2 2HG PRO 2 -4.057 4.450 -6.997
12 HD2 PRO 2 1HD PRO 2 -5.733 6.536 -7.197
13 HD3 PRO 2 2HD PRO 2 -6.259 5.061 -6.344
14 H GLU 3 H GLU 3 -4.313 8.694 -5.142
15 HA GLU 3 HA GLU 3 -2.028 9.387 -3.402
16 HB2 GLU 3 1HB GLU 3 -2.114 9.943 -5.815
17 HB3 GLU 3 2HB GLU 3 -3.496 11.000 -5.516
18 HG2 GLU 3 1HG GLU 3 -2.134 12.537 -4.260
19 HG3 GLU 3 2HG GLU 3 -0.820 11.353 -4.124
20 H ASP 4 H ASP 4 -5.366 9.280 -3.095
21 HA ASP 4 HA ASP 4 -5.651 11.618 -1.324
22 HB2 ASP 4 1HB ASP 4 -7.332 10.324 -3.048
23 HB3 ASP 4 2HB ASP 4 -7.810 9.532 -1.561
24 H TRP 5 H TRP 5 -5.476 8.073 -1.338
25 HA TRP 5 HA TRP 5 -6.139 7.891 1.486
26 HB2 TRP 5 1HB TRP 5 -5.296 5.733 -0.421
27 HB3 TRP 5 2HB TRP 5 -6.006 5.509 1.181
28 HD1 TRP 5 HD TRP 5 -8.446 7.422 1.104
29 HE1 TRP 5 1HE TRP 5 -10.447 6.942 -0.379
30 HE3 TRP 5 3HE TRP 5 -6.156 4.423 -2.229
31 HZ2 TRP 5 2HZ TRP 5 -10.920 5.610 -2.938
32 HZ3 TRP 5 3HZ TRP 5 -7.362 3.550 -4.277
33 HH2 TRP 5 HH TRP 5 -9.753 4.154 -4.625
34 H PHE 6 H PHE 6 -3.413 8.812 -0.004
35 HA PHE 6 HA PHE 6 -1.297 7.144 0.885
36 HB2 PHE 6 1HB PHE 6 -1.145 8.673 -1.009
37 HB3 PHE 6 2HB PHE 6 -1.425 10.064 0.033
38 HD1 PHE 6 1HD PHE 6 0.916 7.235 -0.612
39 HD2 PHE 6 2HD PHE 6 0.432 11.129 1.166
40 HE1 PHE 6 1HE PHE 6 3.363 7.373 -0.248
41 HE2 PHE 6 2HE PHE 6 2.875 11.275 1.500
42 HZ PHE 6 HZ PHE 6 4.348 9.413 0.764
43 H THR 7 H THR 7 -1.042 6.775 3.119
44 HA THR 7 HA THR 7 -1.033 9.165 4.902
45 HB THR 7 HB THR 7 -1.492 7.612 6.736
46 HG1 THR 7 1HG THR 7 -0.806 5.753 5.189
47 HG21 THR 7 3HG2 THR 7 -3.843 7.280 6.272
48 HG22 THR 7 1HG2 THR 7 -3.331 8.811 5.527
49 HG23 THR 7 2HG2 THR 7 -3.580 7.379 4.526
50 HA PRO 8 HA PRO 8 3.327 7.932 4.428
51 HB2 PRO 8 1HB PRO 8 4.500 10.265 5.213
52 HB3 PRO 8 2HB PRO 8 3.769 10.029 3.599
53 HG2 PRO 8 1HG PRO 8 2.504 11.296 6.048
54 HG3 PRO 8 2HG PRO 8 2.533 11.945 4.379
55 HD2 PRO 8 1HD PRO 8 0.405 10.630 5.326
56 HD3 PRO 8 2HD PRO 8 0.930 10.399 3.630
57 H ASP 9 H ASP 9 1.574 8.920 7.264
58 HA ASP 9 HA ASP 9 3.258 8.968 9.380
59 HB2 ASP 9 1HB ASP 9 0.505 7.736 8.971
60 HB3 ASP 9 2HB ASP 9 1.299 7.719 10.540
61 H THR 10 H THR 10 2.121 6.003 7.713
62 HA THR 10 HA THR 10 4.355 4.576 9.046
63 HB THR 10 HB THR 10 3.019 2.656 9.498
64 HG1 THR 10 1HG THR 10 1.609 2.954 7.728
65 HG21 THR 10 3HG2 THR 10 1.472 5.085 10.520
66 HG22 THR 10 1HG2 THR 10 1.468 3.476 11.214
67 HG23 THR 10 2HG2 THR 10 2.961 4.433 11.243
68 H CYS 11 H CYS 11 4.515 5.822 6.590
69 HA CYS 11 HA CYS 11 5.006 3.445 4.920
70 HB2 CYS 11 1HB CYS 11 2.782 4.702 4.287
71 HB3 CYS 11 2HB CYS 11 3.830 5.917 3.637
72 H ALA 12 H ALA 12 7.169 3.521 4.633
73 HA ALA 12 HA ALA 12 8.727 5.932 5.024
74 HB1 ALA 12 1HB ALA 12 9.550 3.708 5.655
75 HB2 ALA 12 2HB ALA 12 9.472 3.180 3.951
76 HB3 ALA 12 3HB ALA 12 10.610 4.452 4.444
77 H TYR 13 H TYR 13 6.759 5.219 2.456
78 HA TYR 13 HA TYR 13 8.691 5.961 0.349
79 HB2 TYR 13 1HB TYR 13 5.911 4.787 0.098
80 HB3 TYR 13 2HB TYR 13 7.061 5.029 -1.201
81 HD1 TYR 13 2HD TYR 13 9.589 3.946 0.115
82 HD2 TYR 13 1HD TYR 13 5.539 2.506 0.499
83 HE1 TYR 13 2HE TYR 13 10.418 1.782 1.034
84 HE2 TYR 13 1HE TYR 13 6.342 0.339 1.263
85 HH TYR 13 HH TYR 13 8.173 -0.867 1.968
86 H GLY 14 H GLY 14 8.778 8.056 0.194
87 HA2 GLY 14 1HA GLY 14 6.512 9.817 0.629
88 HA3 GLY 14 2HA GLY 14 8.110 10.283 0.058
89 H ASP 15 H ASP 15 5.706 7.953 -1.292
90 HA ASP 15 HA ASP 15 4.924 9.743 -3.313
91 HB2 ASP 15 1HB ASP 15 7.145 8.356 -4.200
92 HB3 ASP 15 2HB ASP 15 5.839 7.208 -4.529
93 H SER 16 H SER 16 2.928 9.058 -4.150
94 HA SER 16 HA SER 16 1.688 6.906 -2.594
95 HB2 SER 16 1HB SER 16 -0.388 7.580 -3.429
96 HB3 SER 16 2HB SER 16 0.515 9.069 -3.185
97 HG SER 16 HG SER 16 -0.193 7.767 -5.587
98 H ASN 17 H ASN 17 3.105 7.297 -5.815
99 HA ASN 17 HA ASN 17 1.984 4.826 -6.894
100 HB2 ASN 17 1HB ASN 17 3.674 7.011 -7.852
101 HB3 ASN 17 2HB ASN 17 4.435 5.471 -8.208
102 HD21 ASN 17 1HD2 ASN 17 3.222 3.864 -9.486
103 HD22 ASN 17 2HD2 ASN 17 1.956 4.464 -10.557
104 H THR 18 H THR 18 5.215 5.837 -5.598
105 HA THR 18 HA THR 18 6.333 3.263 -5.698
106 HB THR 18 HB THR 18 6.949 5.527 -3.746
107 HG1 THR 18 1HG THR 18 8.435 6.113 -5.301
108 HG21 THR 18 3HG2 THR 18 9.217 4.535 -3.647
109 HG22 THR 18 1HG2 THR 18 8.005 3.419 -3.018
110 HG23 THR 18 2HG2 THR 18 8.665 3.168 -4.640
111 H ALA 19 H ALA 19 4.485 4.881 -3.025
112 HA ALA 19 HA ALA 19 4.544 2.714 -1.237
113 HB1 ALA 19 1HB ALA 19 3.705 4.922 -0.583
114 HB2 ALA 19 2HB ALA 19 2.358 4.776 -1.719
115 HB3 ALA 19 3HB ALA 19 2.452 3.697 -0.311
116 H TRP 20 H TRP 20 1.780 3.471 -3.429
117 HA TRP 20 HA TRP 20 0.308 1.184 -2.970
118 HB2 TRP 20 1HB TRP 20 -0.482 3.161 -4.161
119 HB3 TRP 20 2HB TRP 20 0.606 2.837 -5.505
120 HD1 TRP 20 HD TRP 20 0.002 0.837 -7.121
121 HE1 TRP 20 1HE TRP 20 -2.177 -0.362 -7.669
122 HE3 TRP 20 3HE TRP 20 -2.767 2.371 -3.146
123 HZ2 TRP 20 2HZ TRP 20 -4.943 -0.322 -6.692
124 HZ3 TRP 20 3HZ TRP 20 -5.194 1.853 -2.983
125 HH2 TRP 20 HH TRP 20 -6.293 0.544 -4.797
126 H THR 21 H THR 21 2.678 1.599 -5.731
127 HA THR 21 HA THR 21 2.341 -1.039 -6.620
128 HB THR 21 HB THR 21 4.593 0.951 -7.045
129 HG1 THR 21 1HG THR 21 2.309 0.411 -8.657
130 HG21 THR 21 3HG2 THR 21 5.237 -1.268 -7.836
131 HG22 THR 21 1HG2 THR 21 3.711 -1.444 -8.714
132 HG23 THR 21 2HG2 THR 21 4.893 -0.203 -9.212
133 H THR 22 H THR 22 4.600 0.229 -4.085
134 HA THR 22 HA THR 22 6.158 -2.198 -3.888
135 HB THR 22 HB THR 22 5.516 -0.091 -1.797
136 HG1 THR 22 1HG THR 22 6.637 0.799 -3.367
137 HG21 THR 22 3HG2 THR 22 7.630 -2.286 -1.809
138 HG22 THR 22 1HG2 THR 22 7.592 -0.931 -0.692
139 HG23 THR 22 2HG2 THR 22 6.283 -2.127 -0.663
140 H CYS 23 H CYS 23 3.014 -1.139 -2.468
141 HA CYS 23 HA CYS 23 2.655 -3.611 -1.008
142 HB2 CYS 23 1HB CYS 23 0.471 -1.783 -1.975
143 HB3 CYS 23 2HB CYS 23 0.493 -2.818 -0.570
144 H THR 24 H THR 24 1.886 -2.703 -4.401
145 HA THR 24 HA THR 24 0.255 -5.162 -4.564
146 HB THR 24 HB THR 24 -0.646 -4.349 -6.598
147 HG1 THR 24 1HG THR 24 -0.227 -2.273 -7.298
148 HG21 THR 24 3HG2 THR 24 -1.678 -3.621 -4.457
149 HG22 THR 24 1HG2 THR 24 -0.732 -2.128 -4.517
150 HG23 THR 24 2HG2 THR 24 -1.930 -2.469 -5.768
151 H THR 25 H THR 25 3.448 -5.042 -4.591
152 HA THR 25 HA THR 25 3.535 -7.117 -6.666
153 HB THR 25 HB THR 25 5.713 -6.137 -7.537
154 HG1 THR 25 1HG THR 25 5.002 -3.836 -6.044
155 HG21 THR 25 3HG2 THR 25 3.512 -4.037 -7.775
156 HG22 THR 25 1HG2 THR 25 4.895 -4.289 -8.855
157 HG23 THR 25 2HG2 THR 25 3.636 -5.527 -8.748
158 HA PRO 26 HA PRO 26 5.757 -9.247 -3.614
159 HB2 PRO 26 1HB PRO 26 7.819 -10.585 -4.943
160 HB3 PRO 26 2HB PRO 26 6.114 -11.096 -4.923
161 HG2 PRO 26 1HG PRO 26 7.577 -9.517 -7.024
162 HG3 PRO 26 2HG PRO 26 6.367 -10.827 -7.250
163 HD2 PRO 26 1HD PRO 26 5.724 -8.215 -7.528
164 HD3 PRO 26 2HD PRO 26 4.580 -9.374 -6.789
165 H GLY 27 H GLY 27 7.202 -8.886 -2.089
166 HA2 GLY 27 1HA GLY 27 9.840 -8.083 -2.156
167 HA3 GLY 27 2HA GLY 27 8.857 -6.606 -2.138
168 H GLN 28 H GLN 28 9.909 -6.412 0.032
169 HA GLN 28 HA GLN 28 9.451 -8.334 2.086
170 HB2 GLN 28 1HB GLN 28 10.125 -6.470 3.657
171 HB3 GLN 28 2HB GLN 28 11.315 -6.955 2.487
172 HG2 GLN 28 1HG GLN 28 9.514 -4.601 1.852
173 HG3 GLN 28 2HG GLN 28 10.801 -4.422 3.028
174 HE21 GLN 28 1HE2 GLN 28 11.788 -6.690 0.458
175 HE22 GLN 28 2HE2 GLN 28 12.577 -5.466 -0.495
176 H THR 29 H THR 29 7.348 -5.716 0.926
177 HA THR 29 HA THR 29 5.277 -6.507 2.878
178 HB THR 29 HB THR 29 4.927 -4.030 3.278
179 HG1 THR 29 1HG THR 29 6.641 -2.667 3.068
180 HG21 THR 29 3HG2 THR 29 5.765 -5.564 5.004
181 HG22 THR 29 1HG2 THR 29 7.439 -5.159 4.537
182 HG23 THR 29 2HG2 THR 29 6.362 -3.908 5.188
183 H CYS 30 H CYS 30 4.505 -7.514 0.937
184 HA CYS 30 HA CYS 30 3.678 -5.777 -1.306
185 HB2 CYS 30 1HB CYS 30 4.506 -8.004 -1.854
186 HB3 CYS 30 2HB CYS 30 3.234 -8.765 -0.899
187 H TYR 31 H TYR 31 1.222 -7.782 -1.030
188 HA TYR 31 HA TYR 31 -0.918 -6.376 -0.551
189 HB2 TYR 31 1HB TYR 31 -0.809 -8.813 -0.949
190 HB3 TYR 31 2HB TYR 31 -0.285 -9.094 0.699
191 HD1 TYR 31 1HD TYR 31 -1.851 -8.667 2.625
192 HD2 TYR 31 2HD TYR 31 -3.158 -8.562 -1.500
193 HE1 TYR 31 1HE TYR 31 -4.187 -8.886 3.354
194 HE2 TYR 31 2HE TYR 31 -5.486 -8.679 -0.759
195 HH TYR 31 HH TYR 31 -6.447 -8.923 2.698
196 H THR 32 H THR 32 0.998 -7.518 2.253
197 HA THR 32 HA THR 32 -0.646 -6.465 4.228
198 HB THR 32 HB THR 32 2.335 -6.553 4.614
199 HG1 THR 32 1HG THR 32 2.527 -8.610 4.145
200 HG21 THR 32 3HG2 THR 32 0.880 -6.295 6.535
201 HG22 THR 32 1HG2 THR 32 -0.123 -7.671 6.029
202 HG23 THR 32 2HG2 THR 32 1.562 -7.942 6.575
203 H CYS 33 H CYS 33 1.842 -4.793 2.318
204 HA CYS 33 HA CYS 33 2.078 -2.403 3.885
205 HB2 CYS 33 1HB CYS 33 3.795 -2.723 2.423
206 HB3 CYS 33 2HB CYS 33 2.799 -3.310 1.132
207 H CYS 34 H CYS 34 -0.334 -3.531 1.510
208 HA CYS 34 HA CYS 34 -1.730 -1.177 0.947
209 HB2 CYS 34 1HB CYS 34 -2.858 -3.821 1.690
210 HB3 CYS 34 2HB CYS 34 -3.718 -2.497 0.959
211 H SER 35 H SER 35 -1.505 -3.063 3.893
212 HA SER 35 HA SER 35 -3.652 -1.633 5.340
213 HB2 SER 35 1HB SER 35 -3.531 -4.154 5.138
214 HB3 SER 35 2HB SER 35 -2.026 -4.116 6.056
215 HG SER 35 HG SER 35 -4.636 -3.405 6.915
216 H SER 36 H SER 36 -0.292 -1.291 4.994
217 HA SER 36 HA SER 36 -0.294 0.525 7.266
218 HB2 SER 36 1HB SER 36 0.509 -1.521 8.349
219 HB3 SER 36 2HB SER 36 1.770 -1.709 7.110
220 HG SER 36 HG SER 36 2.724 0.167 7.846
221 H CYS 37 H CYS 37 -0.577 1.572 5.228
222 HA CYS 37 HA CYS 37 1.666 3.138 4.758
223 HB2 CYS 37 1HB CYS 37 1.230 1.062 2.683
224 HB3 CYS 37 2HB CYS 37 1.299 2.708 2.054
225 H PHE 38 H PHE 38 -1.634 2.077 3.700
226 HA PHE 38 HA PHE 38 -2.381 4.915 3.185
227 HB2 PHE 38 1HB PHE 38 -3.206 2.258 1.974
228 HB3 PHE 38 2HB PHE 38 -4.226 3.674 1.899
229 HD1 PHE 38 1HD PHE 38 -0.518 4.186 1.479
230 HD2 PHE 38 2HD PHE 38 -4.279 3.554 -0.517
231 HE1 PHE 38 1HE PHE 38 0.442 5.034 -0.552
232 HE2 PHE 38 2HE PHE 38 -3.309 4.463 -2.543
233 HZ PHE 38 HZ PHE 38 -0.937 5.211 -2.630
234 H ASP 39 H ASP 39 -4.674 5.391 3.636
235 HA ASP 39 HA ASP 39 -5.689 4.567 6.236
236 HB2 ASP 39 1HB ASP 39 -7.228 5.557 3.803
237 HB3 ASP 39 2HB ASP 39 -7.931 5.348 5.363
238 H VAL 40 H VAL 40 -7.678 3.435 6.554
239 HA VAL 40 HA VAL 40 -7.977 0.898 5.753
240 HB VAL 40 HB VAL 40 -9.107 1.837 7.614
241 HG11 VAL 40 1HG1 VAL 40 -10.829 3.533 5.761
242 HG12 VAL 40 2HG1 VAL 40 -10.963 3.414 7.519
243 HG13 VAL 40 3HG1 VAL 40 -9.530 4.151 6.797
244 HG21 VAL 40 3HG2 VAL 40 -11.339 0.935 7.376
245 HG22 VAL 40 1HG2 VAL 40 -11.250 1.050 5.608
246 HG23 VAL 40 2HG2 VAL 40 -10.197 -0.085 6.488
247 H VAL 41 H VAL 41 -9.427 3.736 4.007
248 HA VAL 41 HA VAL 41 -10.974 2.231 2.193
249 HB VAL 41 HB VAL 41 -9.651 4.899 1.586
250 HG11 VAL 41 1HG1 VAL 41 -12.290 3.611 0.761
251 HG12 VAL 41 2HG1 VAL 41 -11.759 5.247 0.309
252 HG13 VAL 41 3HG1 VAL 41 -10.853 3.842 -0.268
253 HG21 VAL 41 3HG2 VAL 41 -11.619 5.998 2.571
254 HG22 VAL 41 1HG2 VAL 41 -12.161 4.452 3.231
255 HG23 VAL 41 2HG2 VAL 41 -10.650 5.207 3.798
256 H GLY 42 H GLY 42 -7.628 3.380 2.123
257 HA2 GLY 42 1HA GLY 42 -7.094 2.624 -0.627
258 HA3 GLY 42 2HA GLY 42 -5.980 3.292 0.592
259 H GLU 43 H GLU 43 -6.314 1.412 2.652
260 HA GLU 43 HA GLU 43 -4.851 -0.905 2.133
261 HB2 GLU 43 1HB GLU 43 -5.217 -0.125 4.361
262 HB3 GLU 43 2HB GLU 43 -6.959 -0.136 4.154
263 HG2 GLU 43 1HG GLU 43 -7.043 -2.570 4.165
264 HG3 GLU 43 2HG GLU 43 -5.293 -2.659 4.233
265 H GLN 44 H GLN 44 -8.520 -0.709 2.222
266 HA GLN 44 HA GLN 44 -8.756 -3.388 1.395
267 HB2 GLN 44 1HB GLN 44 -10.462 -2.001 2.567
268 HB3 GLN 44 2HB GLN 44 -10.634 -0.990 1.120
269 HG2 GLN 44 1HG GLN 44 -11.256 -3.038 -0.161
270 HG3 GLN 44 2HG GLN 44 -11.228 -3.969 1.348
271 HE21 GLN 44 1HE2 GLN 44 -13.422 -2.848 -0.703
272 HE22 GLN 44 2HE2 GLN 44 -14.643 -2.197 0.410
273 H ALA 45 H ALA 45 -8.870 -0.262 -0.421
274 HA ALA 45 HA ALA 45 -9.469 -1.518 -2.867
275 HB1 ALA 45 1HB ALA 45 -8.915 0.721 -3.878
276 HB2 ALA 45 2HB ALA 45 -9.925 0.882 -2.426
277 HB3 ALA 45 3HB ALA 45 -8.180 1.215 -2.348
278 H CYS 46 H CYS 46 -6.397 -1.002 -1.299
279 HA CYS 46 HA CYS 46 -4.724 -1.605 -3.621
280 HB2 CYS 46 1HB CYS 46 -3.878 -0.128 -1.909
281 HB3 CYS 46 2HB CYS 46 -4.251 -1.270 -0.640
282 H GLN 47 H GLN 47 -5.687 -3.307 -0.545
283 HA GLN 47 HA GLN 47 -4.453 -5.740 -1.121
284 HB2 GLN 47 1HB GLN 47 -6.970 -5.093 0.457
285 HB3 GLN 47 2HB GLN 47 -6.354 -6.718 0.316
286 HG2 GLN 47 1HG GLN 47 -4.071 -5.801 1.130
287 HG3 GLN 47 2HG GLN 47 -4.928 -4.337 1.497
288 HE21 GLN 47 1HE2 GLN 47 -3.474 -6.137 3.408
289 HE22 GLN 47 2HE2 GLN 47 -4.752 -6.591 4.527
290 H MET 48 H MET 48 -7.701 -4.683 -2.138
291 HA MET 48 HA MET 48 -8.285 -7.115 -3.552
292 HB2 MET 48 1HB MET 48 -10.117 -5.867 -4.618
293 HB3 MET 48 2HB MET 48 -10.057 -5.643 -2.866
294 HG2 MET 48 1HG MET 48 -10.097 -3.521 -3.056
295 HG3 MET 48 2HG MET 48 -8.568 -3.544 -3.920
296 HE1 MET 48 3HE MET 48 -9.726 -3.383 -7.663
297 HE2 MET 48 1HE MET 48 -8.345 -3.384 -6.541
298 HE3 MET 48 2HE MET 48 -9.338 -4.840 -6.722
299 H SER 49 H SER 49 -6.321 -4.348 -4.472
300 HA SER 49 HA SER 49 -6.161 -5.147 -7.301
301 HB2 SER 49 1HB SER 49 -4.915 -2.953 -5.617
302 HB3 SER 49 2HB SER 49 -4.233 -3.398 -7.176
303 HG SER 49 HG SER 49 -5.600 -2.114 -7.919
304 H ALA 50 H ALA 50 -4.419 -5.652 -4.289
305 HA ALA 50 HA ALA 50 -1.821 -6.015 -5.334
306 HB1 ALA 50 1HB ALA 50 -3.126 -6.690 -2.656
307 HB2 ALA 50 2HB ALA 50 -1.373 -6.784 -2.954
308 HB3 ALA 50 3HB ALA 50 -2.222 -5.233 -3.017
309 H GLN 51 H GLN 51 -1.026 -7.725 -6.451
310 HA GLN 51 HA GLN 51 -2.324 -10.368 -6.105
311 HB2 GLN 51 1HB GLN 51 -1.222 -9.162 -8.672
312 HB3 GLN 51 2HB GLN 51 -1.679 -10.842 -8.430
313 HG2 GLN 51 1HG GLN 51 -4.017 -10.120 -7.939
314 HG3 GLN 51 2HG GLN 51 -3.551 -8.458 -8.308
315 HE21 GLN 51 1HE2 GLN 51 -2.417 -8.124 -10.515
316 HE22 GLN 51 2HE2 GLN 51 -2.930 -9.117 -11.845
317 H CYS 52 H CYS 52 -0.988 -11.131 -4.724
318 HA CYS 52 HA CYS 52 1.629 -11.825 -5.741
319 HB2 CYS 52 1HB CYS 52 1.268 -10.412 -3.229
320 HB3 CYS 52 2HB CYS 52 1.917 -12.013 -2.925
Start of MODEL 12
1 H1 ASN 1 H ASN 1 -8.975 8.673 -4.567
2 HA ASN 1 HA ASN 1 -7.734 6.969 -6.629
3 HB2 ASN 1 1HB ASN 1 -6.335 8.809 -7.347
4 HB3 ASN 1 2HB ASN 1 -8.010 9.335 -7.464
5 HD21 ASN 1 1HD2 ASN 1 -8.780 11.049 -5.979
6 HD22 ASN 1 2HD2 ASN 1 -7.737 11.720 -4.786
7 HA PRO 2 HA PRO 2 -5.026 5.936 -3.414
8 HB2 PRO 2 1HB PRO 2 -2.723 5.101 -4.719
9 HB3 PRO 2 2HB PRO 2 -4.264 4.231 -4.650
10 HG2 PRO 2 1HG PRO 2 -3.201 5.892 -6.876
11 HG3 PRO 2 2HG PRO 2 -4.128 4.355 -6.945
12 HD2 PRO 2 1HD PRO 2 -5.243 6.851 -7.338
13 HD3 PRO 2 2HD PRO 2 -6.144 5.425 -6.747
14 H GLU 3 H GLU 3 -4.424 8.960 -4.858
15 HA GLU 3 HA GLU 3 -1.996 9.434 -3.253
16 HB2 GLU 3 1HB GLU 3 -3.601 11.434 -4.888
17 HB3 GLU 3 2HB GLU 3 -2.011 11.630 -4.169
18 HG2 GLU 3 1HG GLU 3 -1.441 9.501 -5.686
19 HG3 GLU 3 2HG GLU 3 -2.821 10.076 -6.605
20 H ASP 4 H ASP 4 -5.462 10.139 -3.375
21 HA ASP 4 HA ASP 4 -5.684 11.782 -1.060
22 HB2 ASP 4 1HB ASP 4 -7.493 10.179 -2.802
23 HB3 ASP 4 2HB ASP 4 -8.077 10.353 -1.186
24 H TRP 5 H TRP 5 -5.056 8.372 -1.245
25 HA TRP 5 HA TRP 5 -6.048 7.913 1.537
26 HB2 TRP 5 1HB TRP 5 -5.385 5.968 -0.607
27 HB3 TRP 5 2HB TRP 5 -5.976 5.590 0.998
28 HD1 TRP 5 HD TRP 5 -8.300 7.682 1.250
29 HE1 TRP 5 1HE TRP 5 -10.392 7.489 -0.119
30 HE3 TRP 5 3HE TRP 5 -6.476 4.719 -2.395
31 HZ2 TRP 5 2HZ TRP 5 -11.200 6.212 -2.666
32 HZ3 TRP 5 3HZ TRP 5 -7.894 3.986 -4.351
33 HH2 TRP 5 HH TRP 5 -10.259 4.764 -4.487
34 H PHE 6 H PHE 6 -3.207 8.707 0.041
35 HA PHE 6 HA PHE 6 -1.275 6.928 1.110
36 HB2 PHE 6 1HB PHE 6 -1.048 8.413 -0.830
37 HB3 PHE 6 2HB PHE 6 -1.175 9.821 0.195
38 HD1 PHE 6 1HD PHE 6 0.922 6.836 -0.544
39 HD2 PHE 6 2HD PHE 6 0.742 10.741 1.278
40 HE1 PHE 6 1HE PHE 6 3.404 6.857 -0.304
41 HE2 PHE 6 2HE PHE 6 3.208 10.754 1.499
42 HZ PHE 6 HZ PHE 6 4.517 8.811 0.718
43 H THR 7 H THR 7 -1.082 6.632 3.453
44 HA THR 7 HA THR 7 -1.179 9.061 5.127
45 HB THR 7 HB THR 7 -1.738 7.493 6.970
46 HG1 THR 7 1HG THR 7 -2.502 5.480 6.424
47 HG21 THR 7 3HG2 THR 7 -3.696 7.702 4.660
48 HG22 THR 7 1HG2 THR 7 -4.111 7.168 6.294
49 HG23 THR 7 2HG2 THR 7 -3.519 8.793 6.042
50 HA PRO 8 HA PRO 8 3.116 7.867 4.680
51 HB2 PRO 8 1HB PRO 8 4.385 10.118 5.498
52 HB3 PRO 8 2HB PRO 8 3.405 10.056 3.994
53 HG2 PRO 8 1HG PRO 8 2.447 10.958 6.746
54 HG3 PRO 8 2HG PRO 8 2.372 11.874 5.229
55 HD2 PRO 8 1HD PRO 8 0.264 10.445 6.025
56 HD3 PRO 8 2HD PRO 8 0.754 10.405 4.299
57 H ASP 9 H ASP 9 1.594 8.464 7.724
58 HA ASP 9 HA ASP 9 3.587 8.417 9.598
59 HB2 ASP 9 1HB ASP 9 1.225 6.661 10.233
60 HB3 ASP 9 2HB ASP 9 1.990 7.948 11.148
61 H THR 10 H THR 10 1.939 5.584 8.142
62 HA THR 10 HA THR 10 3.942 3.831 9.416
63 HB THR 10 HB THR 10 2.357 1.992 8.800
64 HG1 THR 10 1HG THR 10 0.633 4.160 8.129
65 HG21 THR 10 3HG2 THR 10 0.693 2.506 10.505
66 HG22 THR 10 1HG2 THR 10 2.292 3.034 11.047
67 HG23 THR 10 2HG2 THR 10 1.113 4.224 10.465
68 H CYS 11 H CYS 11 3.421 5.270 6.397
69 HA CYS 11 HA CYS 11 4.507 3.073 4.807
70 HB2 CYS 11 1HB CYS 11 2.722 4.936 4.147
71 HB3 CYS 11 2HB CYS 11 4.136 5.909 3.822
72 H ALA 12 H ALA 12 6.636 2.888 4.258
73 HA ALA 12 HA ALA 12 8.628 4.817 5.276
74 HB1 ALA 12 1HB ALA 12 10.207 3.109 4.358
75 HB2 ALA 12 2HB ALA 12 9.070 2.441 5.547
76 HB3 ALA 12 3HB ALA 12 8.817 2.157 3.806
77 H TYR 13 H TYR 13 6.749 4.419 2.438
78 HA TYR 13 HA TYR 13 8.783 5.543 0.576
79 HB2 TYR 13 1HB TYR 13 6.105 4.155 0.313
80 HB3 TYR 13 2HB TYR 13 6.754 5.153 -0.998
81 HD1 TYR 13 1HD TYR 13 8.193 2.469 1.338
82 HD2 TYR 13 2HD TYR 13 7.688 3.968 -2.667
83 HE1 TYR 13 1HE TYR 13 9.585 0.645 0.501
84 HE2 TYR 13 2HE TYR 13 9.102 2.119 -3.517
85 HH TYR 13 HH TYR 13 10.495 -0.415 -1.404
86 H GLY 14 H GLY 14 8.340 7.508 -0.561
87 HA2 GLY 14 1HA GLY 14 6.605 9.394 0.911
88 HA3 GLY 14 2HA GLY 14 7.983 9.791 -0.068
89 H ASP 15 H ASP 15 6.550 7.567 -2.015
90 HA ASP 15 HA ASP 15 4.774 9.559 -3.358
91 HB2 ASP 15 1HB ASP 15 6.602 7.442 -4.439
92 HB3 ASP 15 2HB ASP 15 5.265 8.097 -5.388
93 H SER 16 H SER 16 2.785 9.013 -3.741
94 HA SER 16 HA SER 16 1.568 6.775 -2.643
95 HB2 SER 16 1HB SER 16 -0.335 7.811 -4.167
96 HB3 SER 16 2HB SER 16 0.244 8.603 -2.709
97 HG SER 16 HG SER 16 0.797 10.250 -3.941
98 H ASN 17 H ASN 17 2.198 7.353 -6.195
99 HA ASN 17 HA ASN 17 1.124 4.715 -6.987
100 HB2 ASN 17 1HB ASN 17 2.864 6.818 -8.355
101 HB3 ASN 17 2HB ASN 17 2.667 5.198 -9.031
102 HD21 ASN 17 1HD2 ASN 17 0.162 4.442 -9.082
103 HD22 ASN 17 2HD2 ASN 17 -0.903 5.686 -9.716
104 H THR 18 H THR 18 4.330 5.909 -6.013
105 HA THR 18 HA THR 18 5.621 3.488 -6.721
106 HB THR 18 HB THR 18 6.370 5.420 -4.546
107 HG1 THR 18 1HG THR 18 6.941 5.454 -7.345
108 HG21 THR 18 3HG2 THR 18 8.292 3.896 -6.329
109 HG22 THR 18 1HG2 THR 18 8.607 4.763 -4.801
110 HG23 THR 18 2HG2 THR 18 7.687 3.238 -4.804
111 H ALA 19 H ALA 19 4.396 4.667 -3.512
112 HA ALA 19 HA ALA 19 4.999 2.315 -2.123
113 HB1 ALA 19 1HB ALA 19 4.385 4.520 -1.066
114 HB2 ALA 19 2HB ALA 19 2.687 4.213 -1.478
115 HB3 ALA 19 3HB ALA 19 3.557 3.100 -0.394
116 H TRP 20 H TRP 20 1.789 3.301 -3.588
117 HA TRP 20 HA TRP 20 0.241 1.063 -3.050
118 HB2 TRP 20 1HB TRP 20 -0.575 3.047 -4.171
119 HB3 TRP 20 2HB TRP 20 0.470 2.773 -5.551
120 HD1 TRP 20 HD TRP 20 -0.183 0.785 -7.176
121 HE1 TRP 20 1HE TRP 20 -2.449 -0.209 -7.844
122 HE3 TRP 20 3HE TRP 20 -2.840 2.305 -3.182
123 HZ2 TRP 20 2HZ TRP 20 -5.179 -0.197 -6.775
124 HZ3 TRP 20 3HZ TRP 20 -5.272 1.863 -3.001
125 HH2 TRP 20 HH TRP 20 -6.455 0.663 -4.863
126 H THR 21 H THR 21 2.464 1.470 -5.927
127 HA THR 21 HA THR 21 2.007 -1.169 -6.849
128 HB THR 21 HB THR 21 4.159 0.902 -7.370
129 HG1 THR 21 1HG THR 21 1.716 0.272 -8.708
130 HG21 THR 21 3HG2 THR 21 4.870 -1.185 -8.412
131 HG22 THR 21 1HG2 THR 21 3.246 -1.388 -9.122
132 HG23 THR 21 2HG2 THR 21 4.279 -0.022 -9.618
133 H THR 22 H THR 22 4.495 0.101 -4.544
134 HA THR 22 HA THR 22 5.939 -2.366 -4.392
135 HB THR 22 HB THR 22 5.535 -0.231 -2.288
136 HG1 THR 22 1HG THR 22 7.042 -0.358 -4.603
137 HG21 THR 22 3HG2 THR 22 6.539 -2.304 -1.384
138 HG22 THR 22 1HG2 THR 22 7.799 -2.209 -2.647
139 HG23 THR 22 2HG2 THR 22 7.684 -0.947 -1.395
140 H CYS 23 H CYS 23 3.062 -1.064 -2.601
141 HA CYS 23 HA CYS 23 2.710 -3.388 -0.977
142 HB2 CYS 23 1HB CYS 23 0.541 -1.548 -1.969
143 HB3 CYS 23 2HB CYS 23 0.520 -2.567 -0.564
144 H THR 24 H THR 24 1.809 -2.790 -4.402
145 HA THR 24 HA THR 24 0.100 -5.159 -4.218
146 HB THR 24 HB THR 24 -0.796 -4.546 -6.347
147 HG1 THR 24 1HG THR 24 -0.149 -3.001 -7.500
148 HG21 THR 24 3HG2 THR 24 -1.906 -2.410 -5.720
149 HG22 THR 24 1HG2 THR 24 -1.943 -3.632 -4.438
150 HG23 THR 24 2HG2 THR 24 -0.829 -2.276 -4.333
151 H THR 25 H THR 25 3.352 -4.795 -5.006
152 HA THR 25 HA THR 25 3.183 -7.229 -6.711
153 HB THR 25 HB THR 25 5.060 -6.473 -7.984
154 HG1 THR 25 1HG THR 25 4.918 -4.010 -6.585
155 HG21 THR 25 3HG2 THR 25 2.776 -5.723 -8.712
156 HG22 THR 25 1HG2 THR 25 3.055 -4.168 -7.917
157 HG23 THR 25 2HG2 THR 25 4.090 -4.678 -9.263
158 HA PRO 26 HA PRO 26 5.149 -9.290 -3.621
159 HB2 PRO 26 1HB PRO 26 7.050 -10.972 -4.737
160 HB3 PRO 26 2HB PRO 26 5.293 -11.217 -4.846
161 HG2 PRO 26 1HG PRO 26 7.120 -9.873 -6.848
162 HG3 PRO 26 2HG PRO 26 5.880 -11.120 -7.164
163 HD2 PRO 26 1HD PRO 26 5.352 -8.519 -7.590
164 HD3 PRO 26 2HD PRO 26 4.107 -9.552 -6.826
165 H GLY 27 H GLY 27 6.773 -9.149 -2.049
166 HA2 GLY 27 1HA GLY 27 9.439 -8.434 -2.351
167 HA3 GLY 27 2HA GLY 27 8.557 -6.913 -2.311
168 H GLN 28 H GLN 28 9.977 -6.771 -0.357
169 HA GLN 28 HA GLN 28 9.555 -8.216 1.995
170 HB2 GLN 28 1HB GLN 28 10.575 -6.236 3.129
171 HB3 GLN 28 2HB GLN 28 11.445 -6.915 1.799
172 HG2 GLN 28 1HG GLN 28 11.733 -4.670 1.465
173 HG3 GLN 28 2HG GLN 28 10.424 -5.031 0.346
174 HE21 GLN 28 1HE2 GLN 28 9.192 -3.194 0.227
175 HE22 GLN 28 2HE2 GLN 28 8.530 -2.434 1.665
176 H THR 29 H THR 29 7.536 -5.585 0.696
177 HA THR 29 HA THR 29 5.516 -6.333 2.656
178 HB THR 29 HB THR 29 4.935 -4.072 3.248
179 HG1 THR 29 1HG THR 29 6.006 -3.199 1.344
180 HG21 THR 29 3HG2 THR 29 6.782 -3.456 4.765
181 HG22 THR 29 1HG2 THR 29 6.390 -5.170 4.833
182 HG23 THR 29 2HG2 THR 29 7.842 -4.606 3.956
183 H CYS 30 H CYS 30 4.657 -7.323 0.814
184 HA CYS 30 HA CYS 30 3.683 -5.638 -1.421
185 HB2 CYS 30 1HB CYS 30 4.510 -7.920 -1.923
186 HB3 CYS 30 2HB CYS 30 3.284 -8.598 -0.877
187 H TYR 31 H TYR 31 1.221 -7.527 -0.979
188 HA TYR 31 HA TYR 31 -0.807 -6.156 -0.271
189 HB2 TYR 31 1HB TYR 31 -0.779 -8.559 -0.669
190 HB3 TYR 31 2HB TYR 31 -0.088 -8.845 0.900
191 HD1 TYR 31 2HD TYR 31 -1.433 -8.532 3.004
192 HD2 TYR 31 1HD TYR 31 -3.161 -8.272 -0.922
193 HE1 TYR 31 2HE TYR 31 -3.625 -9.143 3.941
194 HE2 TYR 31 1HE TYR 31 -5.391 -8.730 0.014
195 HH TYR 31 HH TYR 31 -5.883 -9.700 3.423
196 H THR 32 H THR 32 1.310 -7.308 2.389
197 HA THR 32 HA THR 32 -0.279 -6.219 4.453
198 HB THR 32 HB THR 32 2.755 -6.307 4.617
199 HG1 THR 32 1HG THR 32 2.565 -8.434 5.159
200 HG21 THR 32 3HG2 THR 32 1.667 -5.466 6.556
201 HG22 THR 32 1HG2 THR 32 0.363 -6.674 6.453
202 HG23 THR 32 2HG2 THR 32 2.033 -7.151 6.938
203 H CYS 33 H CYS 33 2.078 -4.546 2.421
204 HA CYS 33 HA CYS 33 2.353 -2.101 3.909
205 HB2 CYS 33 1HB CYS 33 3.991 -2.461 2.382
206 HB3 CYS 33 2HB CYS 33 2.964 -3.111 1.146
207 H CYS 34 H CYS 34 -0.179 -3.297 1.688
208 HA CYS 34 HA CYS 34 -1.661 -1.017 1.097
209 HB2 CYS 34 1HB CYS 34 -2.695 -3.651 1.961
210 HB3 CYS 34 2HB CYS 34 -3.624 -2.378 1.207
211 H SER 35 H SER 35 -1.318 -2.763 4.125
212 HA SER 35 HA SER 35 -3.458 -1.405 5.562
213 HB2 SER 35 1HB SER 35 -2.167 -3.981 5.548
214 HB3 SER 35 2HB SER 35 -1.885 -3.261 7.116
215 HG SER 35 HG SER 35 -3.724 -4.448 7.152
216 H SER 36 H SER 36 -0.028 -1.204 5.244
217 HA SER 36 HA SER 36 0.174 0.629 7.588
218 HB2 SER 36 1HB SER 36 2.102 -1.580 6.779
219 HB3 SER 36 2HB SER 36 2.443 -0.301 7.957
220 HG SER 36 HG SER 36 1.622 -1.660 9.305
221 H CYS 37 H CYS 37 -0.520 1.680 5.348
222 HA CYS 37 HA CYS 37 1.540 3.463 4.778
223 HB2 CYS 37 1HB CYS 37 2.463 1.812 3.222
224 HB3 CYS 37 2HB CYS 37 0.923 1.508 2.469
225 H PHE 38 H PHE 38 -1.810 2.357 4.324
226 HA PHE 38 HA PHE 38 -2.600 5.011 3.270
227 HB2 PHE 38 1HB PHE 38 -3.369 2.299 2.141
228 HB3 PHE 38 2HB PHE 38 -4.397 3.697 2.002
229 HD1 PHE 38 1HD PHE 38 -0.642 3.864 1.423
230 HD2 PHE 38 2HD PHE 38 -4.544 3.768 -0.323
231 HE1 PHE 38 1HE PHE 38 0.325 4.604 -0.682
232 HE2 PHE 38 2HE PHE 38 -3.601 4.517 -2.435
233 HZ PHE 38 HZ PHE 38 -1.157 4.977 -2.659
234 H ASP 39 H ASP 39 -4.768 5.595 3.702
235 HA ASP 39 HA ASP 39 -5.980 4.805 6.201
236 HB2 ASP 39 1HB ASP 39 -7.484 5.614 3.690
237 HB3 ASP 39 2HB ASP 39 -8.106 5.638 5.307
238 H VAL 40 H VAL 40 -7.852 3.575 6.509
239 HA VAL 40 HA VAL 40 -8.109 1.073 5.539
240 HB VAL 40 HB VAL 40 -9.148 1.946 7.520
241 HG11 VAL 40 1HG1 VAL 40 -11.213 3.398 5.823
242 HG12 VAL 40 2HG1 VAL 40 -11.045 3.409 7.580
243 HG13 VAL 40 3HG1 VAL 40 -9.832 4.222 6.562
244 HG21 VAL 40 3HG2 VAL 40 -11.308 0.938 5.639
245 HG22 VAL 40 1HG2 VAL 40 -10.079 -0.074 6.427
246 HG23 VAL 40 2HG2 VAL 40 -11.271 0.800 7.410
247 H VAL 41 H VAL 41 -9.547 4.025 4.112
248 HA VAL 41 HA VAL 41 -11.300 2.757 2.296
249 HB VAL 41 HB VAL 41 -9.941 5.460 1.862
250 HG11 VAL 41 1HG1 VAL 41 -12.130 6.073 0.876
251 HG12 VAL 41 2HG1 VAL 41 -11.432 4.683 0.042
252 HG13 VAL 41 3HG1 VAL 41 -12.747 4.443 1.206
253 HG21 VAL 41 3HG2 VAL 41 -11.829 6.442 3.198
254 HG22 VAL 41 1HG2 VAL 41 -12.252 4.812 3.748
255 HG23 VAL 41 2HG2 VAL 41 -10.685 5.553 4.179
256 H GLY 42 H GLY 42 -7.821 3.622 2.065
257 HA2 GLY 42 1HA GLY 42 -7.721 2.850 -0.796
258 HA3 GLY 42 2HA GLY 42 -6.487 3.646 0.158
259 H GLU 43 H GLU 43 -6.704 1.779 2.432
260 HA GLU 43 HA GLU 43 -4.967 -0.324 1.913
261 HB2 GLU 43 1HB GLU 43 -5.497 0.441 4.154
262 HB3 GLU 43 2HB GLU 43 -7.180 0.047 3.938
263 HG2 GLU 43 1HG GLU 43 -6.658 -2.371 3.835
264 HG3 GLU 43 2HG GLU 43 -4.968 -1.996 4.097
265 H GLN 44 H GLN 44 -8.664 -0.465 2.032
266 HA GLN 44 HA GLN 44 -8.830 -3.163 1.292
267 HB2 GLN 44 1HB GLN 44 -10.565 -1.649 2.391
268 HB3 GLN 44 2HB GLN 44 -10.730 -0.788 0.861
269 HG2 GLN 44 1HG GLN 44 -12.528 -2.268 0.871
270 HG3 GLN 44 2HG GLN 44 -11.333 -3.042 -0.162
271 HE21 GLN 44 1HE2 GLN 44 -13.516 -4.491 1.047
272 HE22 GLN 44 2HE2 GLN 44 -12.837 -5.533 2.282
273 H ALA 45 H ALA 45 -8.694 -0.134 -0.606
274 HA ALA 45 HA ALA 45 -9.306 -1.350 -3.091
275 HB1 ALA 45 1HB ALA 45 -7.831 1.252 -2.588
276 HB2 ALA 45 2HB ALA 45 -8.591 0.753 -4.112
277 HB3 ALA 45 3HB ALA 45 -9.596 1.035 -2.682
278 H CYS 46 H CYS 46 -6.287 -0.894 -1.324
279 HA CYS 46 HA CYS 46 -4.547 -1.719 -3.507
280 HB2 CYS 46 1HB CYS 46 -3.796 -0.120 -1.865
281 HB3 CYS 46 2HB CYS 46 -4.196 -1.171 -0.540
282 H GLN 47 H GLN 47 -5.559 -3.302 -0.352
283 HA GLN 47 HA GLN 47 -4.570 -5.800 -0.780
284 HB2 GLN 47 1HB GLN 47 -7.330 -5.227 0.286
285 HB3 GLN 47 2HB GLN 47 -6.467 -6.714 0.437
286 HG2 GLN 47 1HG GLN 47 -5.812 -4.124 1.850
287 HG3 GLN 47 2HG GLN 47 -6.454 -5.614 2.511
288 HE21 GLN 47 1HE2 GLN 47 -4.715 -5.801 4.139
289 HE22 GLN 47 2HE2 GLN 47 -3.064 -6.060 3.627
290 H MET 48 H MET 48 -7.513 -4.533 -2.392
291 HA MET 48 HA MET 48 -8.001 -7.029 -3.790
292 HB2 MET 48 1HB MET 48 -9.755 -5.898 -4.919
293 HB3 MET 48 2HB MET 48 -9.757 -5.383 -3.200
294 HG2 MET 48 1HG MET 48 -9.088 -3.266 -3.687
295 HG3 MET 48 2HG MET 48 -8.298 -3.705 -5.195
296 HE1 MET 48 3HE MET 48 -9.764 -0.949 -5.409
297 HE2 MET 48 1HE MET 48 -8.741 -1.937 -6.467
298 HE3 MET 48 2HE MET 48 -10.308 -1.368 -7.058
299 H SER 49 H SER 49 -5.754 -4.753 -4.337
300 HA SER 49 HA SER 49 -5.460 -5.379 -7.253
301 HB2 SER 49 1HB SER 49 -5.626 -2.973 -6.563
302 HB3 SER 49 2HB SER 49 -4.051 -3.148 -5.783
303 HG SER 49 HG SER 49 -3.151 -3.686 -7.812
304 H ALA 50 H ALA 50 -4.148 -5.900 -4.107
305 HA ALA 50 HA ALA 50 -1.443 -6.109 -4.891
306 HB1 ALA 50 1HB ALA 50 -1.169 -6.748 -2.436
307 HB2 ALA 50 2HB ALA 50 -1.972 -5.204 -2.716
308 HB3 ALA 50 3HB ALA 50 -2.950 -6.617 -2.297
309 H GLN 51 H GLN 51 -0.590 -7.713 -5.987
310 HA GLN 51 HA GLN 51 -1.406 -10.490 -5.317
311 HB2 GLN 51 1HB GLN 51 -1.123 -9.250 -8.066
312 HB3 GLN 51 2HB GLN 51 -1.216 -10.994 -7.737
313 HG2 GLN 51 1HG GLN 51 -3.417 -10.727 -6.695
314 HG3 GLN 51 2HG GLN 51 -3.324 -8.977 -6.866
315 HE21 GLN 51 1HE2 GLN 51 -5.178 -8.809 -8.024
316 HE22 GLN 51 2HE2 GLN 51 -5.292 -9.240 -9.729
317 H CYS 52 H CYS 52 0.263 -10.583 -4.044
318 HA CYS 52 HA CYS 52 3.003 -10.828 -5.033
319 HB2 CYS 52 1HB CYS 52 2.888 -12.283 -2.741
320 HB3 CYS 52 2HB CYS 52 3.362 -10.607 -2.826
Start of MODEL 13
1 H1 ASN 1 H ASN 1 -9.267 7.444 -4.889
2 HA ASN 1 HA ASN 1 -7.563 5.898 -6.713
3 HB2 ASN 1 1HB ASN 1 -6.572 7.937 -7.544
4 HB3 ASN 1 2HB ASN 1 -8.308 8.043 -7.767
5 HD21 ASN 1 1HD2 ASN 1 -9.404 9.886 -6.768
6 HD22 ASN 1 2HD2 ASN 1 -8.656 10.802 -5.492
7 HA PRO 2 HA PRO 2 -4.864 5.560 -3.377
8 HB2 PRO 2 1HB PRO 2 -2.459 5.010 -4.620
9 HB3 PRO 2 2HB PRO 2 -3.866 3.911 -4.518
10 HG2 PRO 2 1HG PRO 2 -3.083 5.663 -6.811
11 HG3 PRO 2 2HG PRO 2 -3.620 3.941 -6.812
12 HD2 PRO 2 1HD PRO 2 -5.294 6.011 -7.384
13 HD3 PRO 2 2HD PRO 2 -5.840 4.524 -6.543
14 H GLU 3 H GLU 3 -4.685 8.489 -5.082
15 HA GLU 3 HA GLU 3 -2.186 9.301 -3.688
16 HB2 GLU 3 1HB GLU 3 -3.744 10.687 -5.893
17 HB3 GLU 3 2HB GLU 3 -2.200 11.208 -5.196
18 HG2 GLU 3 1HG GLU 3 -1.220 8.997 -5.919
19 HG3 GLU 3 2HG GLU 3 -2.731 8.642 -6.763
20 H ASP 4 H ASP 4 -5.522 9.299 -3.342
21 HA ASP 4 HA ASP 4 -5.825 11.609 -1.543
22 HB2 ASP 4 1HB ASP 4 -7.461 9.313 -2.616
23 HB3 ASP 4 2HB ASP 4 -8.018 10.028 -1.154
24 H TRP 5 H TRP 5 -5.190 8.105 -1.372
25 HA TRP 5 HA TRP 5 -5.896 7.939 1.481
26 HB2 TRP 5 1HB TRP 5 -5.085 5.816 -0.479
27 HB3 TRP 5 2HB TRP 5 -5.693 5.568 1.165
28 HD1 TRP 5 HD TRP 5 -8.131 7.474 1.249
29 HE1 TRP 5 1HE TRP 5 -10.222 7.005 -0.082
30 HE3 TRP 5 3HE TRP 5 -6.076 4.429 -2.193
31 HZ2 TRP 5 2HZ TRP 5 -10.925 5.456 -2.440
32 HZ3 TRP 5 3HZ TRP 5 -7.452 3.398 -4.037
33 HH2 TRP 5 HH TRP 5 -9.894 3.843 -4.117
34 H PHE 6 H PHE 6 -3.233 9.030 0.120
35 HA PHE 6 HA PHE 6 -1.117 7.354 1.025
36 HB2 PHE 6 1HB PHE 6 -1.038 9.080 -0.798
37 HB3 PHE 6 2HB PHE 6 -1.203 10.343 0.409
38 HD1 PHE 6 2HD PHE 6 0.919 7.318 -0.284
39 HD2 PHE 6 1HD PHE 6 0.777 11.392 1.142
40 HE1 PHE 6 2HE PHE 6 3.398 7.331 -0.071
41 HE2 PHE 6 1HE PHE 6 3.253 11.393 1.347
42 HZ PHE 6 HZ PHE 6 4.540 9.369 0.730
43 H THR 7 H THR 7 -0.407 7.072 3.057
44 HA THR 7 HA THR 7 -0.631 9.297 4.983
45 HB THR 7 HB THR 7 -1.274 8.037 6.801
46 HG1 THR 7 1HG THR 7 -0.695 5.786 5.335
47 HG21 THR 7 3HG2 THR 7 -3.526 7.289 6.251
48 HG22 THR 7 1HG2 THR 7 -3.151 8.740 5.306
49 HG23 THR 7 2HG2 THR 7 -3.113 7.144 4.547
50 HA PRO 8 HA PRO 8 3.718 8.013 4.305
51 HB2 PRO 8 1HB PRO 8 4.899 10.400 4.910
52 HB3 PRO 8 2HB PRO 8 4.139 10.047 3.335
53 HG2 PRO 8 1HG PRO 8 2.950 11.547 5.688
54 HG3 PRO 8 2HG PRO 8 2.888 11.984 3.951
55 HD2 PRO 8 1HD PRO 8 0.860 10.726 5.259
56 HD3 PRO 8 2HD PRO 8 1.185 10.443 3.528
57 H ASP 9 H ASP 9 2.075 9.198 7.092
58 HA ASP 9 HA ASP 9 3.767 9.350 9.186
59 HB2 ASP 9 1HB ASP 9 0.944 8.490 8.739
60 HB3 ASP 9 2HB ASP 9 1.659 7.771 10.172
61 H THR 10 H THR 10 2.361 6.385 7.894
62 HA THR 10 HA THR 10 4.198 4.802 9.561
63 HB THR 10 HB THR 10 1.749 4.732 9.900
64 HG1 THR 10 1HG THR 10 1.622 2.594 10.157
65 HG21 THR 10 3HG2 THR 10 0.254 3.696 8.389
66 HG22 THR 10 1HG2 THR 10 1.068 4.958 7.479
67 HG23 THR 10 2HG2 THR 10 1.549 3.259 7.256
68 H CYS 11 H CYS 11 3.511 5.686 6.294
69 HA CYS 11 HA CYS 11 4.478 3.172 5.122
70 HB2 CYS 11 1HB CYS 11 2.539 4.604 4.265
71 HB3 CYS 11 2HB CYS 11 3.727 5.739 3.709
72 H ALA 12 H ALA 12 6.510 2.888 4.183
73 HA ALA 12 HA ALA 12 8.607 4.727 4.977
74 HB1 ALA 12 1HB ALA 12 10.039 2.857 4.186
75 HB2 ALA 12 2HB ALA 12 8.796 2.292 5.313
76 HB3 ALA 12 3HB ALA 12 8.610 2.023 3.559
77 H TYR 13 H TYR 13 6.680 5.474 2.674
78 HA TYR 13 HA TYR 13 8.694 5.864 0.557
79 HB2 TYR 13 1HB TYR 13 5.873 4.810 0.201
80 HB3 TYR 13 2HB TYR 13 6.867 5.399 -1.132
81 HD1 TYR 13 1HD TYR 13 6.408 2.686 1.360
82 HD2 TYR 13 2HD TYR 13 8.783 4.111 -1.941
83 HE1 TYR 13 1HE TYR 13 7.570 0.546 1.296
84 HE2 TYR 13 2HE TYR 13 9.961 1.919 -2.030
85 HH TYR 13 HH TYR 13 9.878 -0.183 0.652
86 H GLY 14 H GLY 14 8.458 7.866 -0.555
87 HA2 GLY 14 1HA GLY 14 6.755 9.840 0.794
88 HA3 GLY 14 2HA GLY 14 8.089 10.136 -0.309
89 H ASP 15 H ASP 15 6.555 7.875 -2.053
90 HA ASP 15 HA ASP 15 4.684 9.805 -3.383
91 HB2 ASP 15 1HB ASP 15 6.314 7.502 -4.529
92 HB3 ASP 15 2HB ASP 15 5.114 8.417 -5.430
93 H SER 16 H SER 16 2.616 9.141 -3.591
94 HA SER 16 HA SER 16 1.633 6.801 -2.382
95 HB2 SER 16 1HB SER 16 -0.237 7.627 -4.285
96 HB3 SER 16 2HB SER 16 -0.188 8.077 -2.588
97 HG SER 16 HG SER 16 0.679 10.007 -3.091
98 H ASN 17 H ASN 17 2.750 7.412 -5.680
99 HA ASN 17 HA ASN 17 1.718 4.934 -6.933
100 HB2 ASN 17 1HB ASN 17 3.842 6.972 -7.760
101 HB3 ASN 17 2HB ASN 17 3.534 5.472 -8.623
102 HD21 ASN 17 1HD2 ASN 17 1.728 8.403 -7.434
103 HD22 ASN 17 2HD2 ASN 17 0.637 8.480 -8.741
104 H THR 18 H THR 18 5.021 5.915 -5.687
105 HA THR 18 HA THR 18 5.947 3.341 -6.043
106 HB THR 18 HB THR 18 6.858 5.213 -3.834
107 HG1 THR 18 1HG THR 18 8.124 6.148 -5.385
108 HG21 THR 18 3HG2 THR 18 9.020 4.167 -4.268
109 HG22 THR 18 1HG2 THR 18 7.849 2.894 -3.903
110 HG23 THR 18 2HG2 THR 18 8.339 3.183 -5.579
111 H ALA 19 H ALA 19 4.466 4.798 -3.080
112 HA ALA 19 HA ALA 19 4.751 2.682 -1.364
113 HB1 ALA 19 1HB ALA 19 2.772 3.556 -0.192
114 HB2 ALA 19 2HB ALA 19 3.899 4.846 -0.654
115 HB3 ALA 19 3HB ALA 19 2.402 4.606 -1.580
116 H TRP 20 H TRP 20 1.853 3.326 -3.378
117 HA TRP 20 HA TRP 20 0.408 0.973 -2.894
118 HB2 TRP 20 1HB TRP 20 -0.463 2.976 -4.001
119 HB3 TRP 20 2HB TRP 20 0.628 2.733 -5.361
120 HD1 TRP 20 HD TRP 20 0.047 0.697 -7.062
121 HE1 TRP 20 1HE TRP 20 -2.191 -0.278 -7.745
122 HE3 TRP 20 3HE TRP 20 -2.666 2.077 -2.983
123 HZ2 TRP 20 2HZ TRP 20 -4.934 -0.319 -6.686
124 HZ3 TRP 20 3HZ TRP 20 -5.110 1.635 -2.862
125 HH2 TRP 20 HH TRP 20 -6.245 0.449 -4.762
126 H THR 21 H THR 21 2.922 1.638 -5.399
127 HA THR 21 HA THR 21 2.585 -0.797 -6.820
128 HB THR 21 HB THR 21 4.968 1.089 -6.592
129 HG1 THR 21 1HG THR 21 3.057 2.033 -7.399
130 HG21 THR 21 3HG2 THR 21 4.246 -1.033 -8.613
131 HG22 THR 21 1HG2 THR 21 5.473 0.231 -8.877
132 HG23 THR 21 2HG2 THR 21 5.711 -0.984 -7.604
133 H THR 22 H THR 22 4.936 0.068 -4.113
134 HA THR 22 HA THR 22 6.052 -2.509 -4.008
135 HB THR 22 HB THR 22 5.585 -0.726 -1.629
136 HG1 THR 22 1HG THR 22 7.866 -0.559 -3.258
137 HG21 THR 22 3HG2 THR 22 6.550 -2.950 -1.166
138 HG22 THR 22 1HG2 THR 22 7.821 -2.649 -2.362
139 HG23 THR 22 2HG2 THR 22 7.736 -1.666 -0.882
140 H CYS 23 H CYS 23 3.144 -1.107 -2.315
141 HA CYS 23 HA CYS 23 2.527 -3.411 -0.831
142 HB2 CYS 23 1HB CYS 23 0.519 -1.468 -2.011
143 HB3 CYS 23 2HB CYS 23 0.259 -2.599 -0.704
144 H THR 24 H THR 24 2.010 -2.858 -4.278
145 HA THR 24 HA THR 24 0.042 -5.040 -4.301
146 HB THR 24 HB THR 24 -0.527 -4.107 -6.591
147 HG1 THR 24 1HG THR 24 0.853 -1.848 -5.609
148 HG21 THR 24 3HG2 THR 24 -1.880 -2.285 -5.707
149 HG22 THR 24 1HG2 THR 24 -1.912 -3.638 -4.578
150 HG23 THR 24 2HG2 THR 24 -0.914 -2.222 -4.222
151 H THR 25 H THR 25 3.337 -4.892 -4.780
152 HA THR 25 HA THR 25 3.179 -7.106 -6.765
153 HB THR 25 HB THR 25 5.126 -6.238 -7.870
154 HG1 THR 25 1HG THR 25 4.899 -3.886 -6.327
155 HG21 THR 25 3HG2 THR 25 2.921 -5.401 -8.691
156 HG22 THR 25 1HG2 THR 25 3.129 -3.942 -7.707
157 HG23 THR 25 2HG2 THR 25 4.268 -4.302 -9.018
158 HA PRO 26 HA PRO 26 5.316 -9.346 -3.810
159 HB2 PRO 26 1HB PRO 26 7.253 -10.867 -5.097
160 HB3 PRO 26 2HB PRO 26 5.499 -11.195 -5.124
161 HG2 PRO 26 1HG PRO 26 7.178 -9.767 -7.180
162 HG3 PRO 26 2HG PRO 26 5.874 -10.972 -7.447
163 HD2 PRO 26 1HD PRO 26 5.487 -8.286 -7.721
164 HD3 PRO 26 2HD PRO 26 4.197 -9.353 -7.107
165 H GLY 27 H GLY 27 6.778 -8.940 -2.241
166 HA2 GLY 27 1HA GLY 27 9.403 -7.879 -2.513
167 HA3 GLY 27 2HA GLY 27 8.220 -6.565 -2.357
168 H GLN 28 H GLN 28 9.674 -6.414 -0.253
169 HA GLN 28 HA GLN 28 9.298 -8.295 1.849
170 HB2 GLN 28 1HB GLN 28 10.207 -6.626 3.319
171 HB3 GLN 28 2HB GLN 28 11.103 -6.642 1.809
172 HG2 GLN 28 1HG GLN 28 9.311 -4.609 1.309
173 HG3 GLN 28 2HG GLN 28 9.477 -4.491 3.058
174 HE21 GLN 28 1HE2 GLN 28 11.182 -4.350 -0.050
175 HE22 GLN 28 2HE2 GLN 28 12.696 -3.705 0.576
176 H THR 29 H THR 29 7.332 -5.627 0.772
177 HA THR 29 HA THR 29 5.160 -6.188 2.712
178 HB THR 29 HB THR 29 5.161 -3.583 2.967
179 HG1 THR 29 1HG THR 29 6.710 -2.717 1.884
180 HG21 THR 29 3HG2 THR 29 6.522 -3.679 4.911
181 HG22 THR 29 1HG2 THR 29 5.668 -5.224 4.779
182 HG23 THR 29 2HG2 THR 29 7.389 -5.109 4.347
183 H CYS 30 H CYS 30 4.628 -7.222 0.680
184 HA CYS 30 HA CYS 30 3.188 -5.571 -1.282
185 HB2 CYS 30 1HB CYS 30 4.334 -7.752 -1.978
186 HB3 CYS 30 2HB CYS 30 3.172 -8.588 -0.954
187 H TYR 31 H TYR 31 0.966 -7.452 -1.095
188 HA TYR 31 HA TYR 31 -1.043 -6.248 -0.344
189 HB2 TYR 31 1HB TYR 31 -1.038 -8.575 -0.994
190 HB3 TYR 31 2HB TYR 31 -0.440 -9.093 0.548
191 HD1 TYR 31 2HD TYR 31 -1.961 -8.908 2.617
192 HD2 TYR 31 1HD TYR 31 -3.445 -8.527 -1.412
193 HE1 TYR 31 2HE TYR 31 -4.184 -9.631 3.372
194 HE2 TYR 31 1HE TYR 31 -5.692 -9.046 -0.633
195 HH TYR 31 HH TYR 31 -6.388 -9.991 2.760
196 H THR 32 H THR 32 0.793 -7.626 2.326
197 HA THR 32 HA THR 32 -0.815 -6.800 4.510
198 HB THR 32 HB THR 32 2.228 -6.647 4.512
199 HG1 THR 32 1HG THR 32 0.643 -9.018 4.620
200 HG21 THR 32 3HG2 THR 32 1.758 -7.676 6.784
201 HG22 THR 32 1HG2 THR 32 1.097 -6.038 6.533
202 HG23 THR 32 2HG2 THR 32 0.000 -7.425 6.404
203 H CYS 33 H CYS 33 1.615 -4.998 2.733
204 HA CYS 33 HA CYS 33 1.835 -2.522 3.984
205 HB2 CYS 33 1HB CYS 33 3.262 -3.360 2.334
206 HB3 CYS 33 2HB CYS 33 2.003 -3.539 1.150
207 H CYS 34 H CYS 34 -0.772 -3.670 1.807
208 HA CYS 34 HA CYS 34 -2.069 -1.225 1.213
209 HB2 CYS 34 1HB CYS 34 -3.175 -3.920 1.860
210 HB3 CYS 34 2HB CYS 34 -4.073 -2.625 1.109
211 H SER 35 H SER 35 -1.877 -3.115 4.182
212 HA SER 35 HA SER 35 -3.742 -1.355 5.618
213 HB2 SER 35 1HB SER 35 -3.222 -3.964 6.021
214 HB3 SER 35 2HB SER 35 -1.973 -3.301 7.076
215 HG SER 35 HG SER 35 -4.767 -2.700 7.081
216 H SER 36 H SER 36 -0.147 -2.180 5.757
217 HA SER 36 HA SER 36 0.271 -0.187 7.777
218 HB2 SER 36 1HB SER 36 2.659 -1.178 7.535
219 HB3 SER 36 2HB SER 36 1.355 -2.127 8.231
220 HG SER 36 HG SER 36 2.771 -3.119 6.572
221 H CYS 37 H CYS 37 -0.520 0.960 5.227
222 HA CYS 37 HA CYS 37 1.669 2.911 4.923
223 HB2 CYS 37 1HB CYS 37 1.079 0.831 2.914
224 HB3 CYS 37 2HB CYS 37 1.069 2.474 2.263
225 H PHE 38 H PHE 38 -1.680 1.927 3.864
226 HA PHE 38 HA PHE 38 -2.339 4.800 3.360
227 HB2 PHE 38 1HB PHE 38 -3.306 2.184 2.221
228 HB3 PHE 38 2HB PHE 38 -4.258 3.643 2.146
229 HD1 PHE 38 1HD PHE 38 -0.629 4.277 1.788
230 HD2 PHE 38 2HD PHE 38 -4.248 3.274 -0.323
231 HE1 PHE 38 1HE PHE 38 0.372 5.076 -0.268
232 HE2 PHE 38 2HE PHE 38 -3.269 4.188 -2.367
233 HZ PHE 38 HZ PHE 38 -0.948 5.082 -2.393
234 H ASP 39 H ASP 39 -4.637 5.343 3.703
235 HA ASP 39 HA ASP 39 -5.623 4.685 6.376
236 HB2 ASP 39 1HB ASP 39 -7.196 5.514 3.914
237 HB3 ASP 39 2HB ASP 39 -7.813 5.483 5.532
238 H VAL 40 H VAL 40 -7.502 3.515 6.748
239 HA VAL 40 HA VAL 40 -7.802 0.956 5.858
240 HB VAL 40 HB VAL 40 -8.682 1.898 7.894
241 HG11 VAL 40 1HG1 VAL 40 -10.552 3.442 8.044
242 HG12 VAL 40 2HG1 VAL 40 -9.310 4.200 7.039
243 HG13 VAL 40 3HG1 VAL 40 -10.739 3.478 6.284
244 HG21 VAL 40 3HG2 VAL 40 -10.899 0.934 7.976
245 HG22 VAL 40 1HG2 VAL 40 -11.027 1.010 6.202
246 HG23 VAL 40 2HG2 VAL 40 -9.833 -0.072 6.974
247 H VAL 41 H VAL 41 -9.159 3.907 4.365
248 HA VAL 41 HA VAL 41 -10.991 2.599 2.588
249 HB VAL 41 HB VAL 41 -9.602 5.278 2.138
250 HG11 VAL 41 1HG1 VAL 41 -12.441 4.399 1.493
251 HG12 VAL 41 2HG1 VAL 41 -11.699 5.941 1.073
252 HG13 VAL 41 3HG1 VAL 41 -11.107 4.443 0.329
253 HG21 VAL 41 3HG2 VAL 41 -11.940 4.754 4.019
254 HG22 VAL 41 1HG2 VAL 41 -10.351 5.440 4.444
255 HG23 VAL 41 2HG2 VAL 41 -11.456 6.360 3.430
256 H GLY 42 H GLY 42 -7.591 3.655 2.388
257 HA2 GLY 42 1HA GLY 42 -7.266 2.975 -0.397
258 HA3 GLY 42 2HA GLY 42 -6.013 3.434 0.776
259 H GLU 43 H GLU 43 -6.407 1.435 2.751
260 HA GLU 43 HA GLU 43 -5.276 -0.880 1.859
261 HB2 GLU 43 1HB GLU 43 -5.675 -0.453 4.260
262 HB3 GLU 43 2HB GLU 43 -7.404 -0.775 4.048
263 HG2 GLU 43 1HG GLU 43 -6.989 -3.053 3.336
264 HG3 GLU 43 2HG GLU 43 -5.249 -2.777 3.253
265 H GLN 44 H GLN 44 -8.922 -0.421 1.981
266 HA GLN 44 HA GLN 44 -9.243 -3.059 0.878
267 HB2 GLN 44 1HB GLN 44 -10.737 -2.167 2.512
268 HB3 GLN 44 2HB GLN 44 -11.154 -0.757 1.530
269 HG2 GLN 44 1HG GLN 44 -12.400 -2.023 0.026
270 HG3 GLN 44 2HG GLN 44 -11.697 -3.559 0.518
271 HE21 GLN 44 1HE2 GLN 44 -12.020 -3.540 3.285
272 HE22 GLN 44 2HE2 GLN 44 -13.692 -3.399 3.750
273 H ALA 45 H ALA 45 -8.449 -0.100 -0.588
274 HA ALA 45 HA ALA 45 -9.461 -1.060 -3.195
275 HB1 ALA 45 1HB ALA 45 -9.302 1.396 -2.750
276 HB2 ALA 45 2HB ALA 45 -7.538 1.226 -2.598
277 HB3 ALA 45 3HB ALA 45 -8.349 0.865 -4.149
278 H CYS 46 H CYS 46 -6.354 -0.595 -1.544
279 HA CYS 46 HA CYS 46 -4.701 -1.753 -3.479
280 HB2 CYS 46 1HB CYS 46 -3.984 -0.214 -1.757
281 HB3 CYS 46 2HB CYS 46 -4.435 -1.318 -0.489
282 H GLN 47 H GLN 47 -5.924 -3.443 -0.442
283 HA GLN 47 HA GLN 47 -4.780 -5.869 -0.924
284 HB2 GLN 47 1HB GLN 47 -7.576 -5.567 0.129
285 HB3 GLN 47 2HB GLN 47 -6.537 -6.933 0.303
286 HG2 GLN 47 1HG GLN 47 -5.980 -4.259 1.590
287 HG3 GLN 47 2HG GLN 47 -6.751 -5.668 2.317
288 HE21 GLN 47 1HE2 GLN 47 -4.934 -5.380 4.049
289 HE22 GLN 47 2HE2 GLN 47 -3.372 -6.094 3.628
290 H MET 48 H MET 48 -7.455 -4.529 -2.762
291 HA MET 48 HA MET 48 -8.220 -7.095 -4.019
292 HB2 MET 48 1HB MET 48 -8.975 -4.294 -4.855
293 HB3 MET 48 2HB MET 48 -9.855 -5.771 -5.226
294 HG2 MET 48 1HG MET 48 -9.503 -4.926 -2.362
295 HG3 MET 48 2HG MET 48 -10.593 -4.011 -3.395
296 HE1 MET 48 3HE MET 48 -10.134 -7.164 -1.261
297 HE2 MET 48 1HE MET 48 -11.341 -8.298 -1.916
298 HE3 MET 48 2HE MET 48 -9.899 -7.896 -2.863
299 H SER 49 H SER 49 -5.905 -4.619 -4.536
300 HA SER 49 HA SER 49 -5.436 -5.282 -7.385
301 HB2 SER 49 1HB SER 49 -4.891 -2.877 -5.617
302 HB3 SER 49 2HB SER 49 -4.031 -3.119 -7.135
303 HG SER 49 HG SER 49 -5.985 -3.290 -8.210
304 H ALA 50 H ALA 50 -4.399 -6.129 -4.299
305 HA ALA 50 HA ALA 50 -1.562 -5.935 -4.962
306 HB1 ALA 50 1HB ALA 50 -3.013 -6.725 -2.432
307 HB2 ALA 50 2HB ALA 50 -1.232 -6.750 -2.603
308 HB3 ALA 50 3HB ALA 50 -2.127 -5.245 -2.775
309 H GLN 51 H GLN 51 -0.600 -7.332 -6.212
310 HA GLN 51 HA GLN 51 -1.230 -10.224 -6.018
311 HB2 GLN 51 1HB GLN 51 -0.718 -10.225 -8.468
312 HB3 GLN 51 2HB GLN 51 -2.273 -9.550 -7.986
313 HG2 GLN 51 1HG GLN 51 -1.631 -7.331 -8.462
314 HG3 GLN 51 2HG GLN 51 0.083 -7.700 -8.328
315 HE21 GLN 51 1HE2 GLN 51 -2.791 -8.482 -10.397
316 HE22 GLN 51 2HE2 GLN 51 -1.822 -8.693 -11.843
317 H CYS 52 H CYS 52 0.417 -10.629 -4.660
318 HA CYS 52 HA CYS 52 3.229 -10.322 -5.469
319 HB2 CYS 52 1HB CYS 52 3.292 -11.983 -3.408
320 HB3 CYS 52 2HB CYS 52 3.345 -10.240 -3.209
Start of MODEL 14
1 H1 ASN 1 H ASN 1 -8.852 7.969 -4.694
2 HA ASN 1 HA ASN 1 -7.538 5.708 -6.081
3 HB2 ASN 1 1HB ASN 1 -6.359 7.472 -7.388
4 HB3 ASN 1 2HB ASN 1 -8.105 7.577 -7.579
5 HD21 ASN 1 1HD2 ASN 1 -9.002 9.687 -7.266
6 HD22 ASN 1 2HD2 ASN 1 -8.207 10.881 -6.270
7 HA PRO 2 HA PRO 2 -4.476 5.532 -3.072
8 HB2 PRO 2 1HB PRO 2 -2.026 5.464 -4.495
9 HB3 PRO 2 2HB PRO 2 -3.124 4.141 -4.104
10 HG2 PRO 2 1HG PRO 2 -2.959 5.743 -6.637
11 HG3 PRO 2 2HG PRO 2 -3.219 3.975 -6.444
12 HD2 PRO 2 1HD PRO 2 -5.272 5.624 -6.990
13 HD3 PRO 2 2HD PRO 2 -5.479 4.276 -5.854
14 H GLU 3 H GLU 3 -4.682 8.543 -4.613
15 HA GLU 3 HA GLU 3 -2.285 9.600 -3.201
16 HB2 GLU 3 1HB GLU 3 -2.360 9.995 -5.590
17 HB3 GLU 3 2HB GLU 3 -3.970 10.672 -5.517
18 HG2 GLU 3 1HG GLU 3 -1.701 11.958 -3.970
19 HG3 GLU 3 2HG GLU 3 -1.824 12.183 -5.714
20 H ASP 4 H ASP 4 -5.752 9.331 -3.212
21 HA ASP 4 HA ASP 4 -6.435 11.474 -1.364
22 HB2 ASP 4 1HB ASP 4 -7.976 10.323 -3.027
23 HB3 ASP 4 2HB ASP 4 -7.810 8.870 -2.095
24 H TRP 5 H TRP 5 -4.975 8.330 -1.102
25 HA TRP 5 HA TRP 5 -5.974 7.893 1.661
26 HB2 TRP 5 1HB TRP 5 -5.004 5.920 -0.364
27 HB3 TRP 5 2HB TRP 5 -5.745 5.579 1.210
28 HD1 TRP 5 HD TRP 5 -8.216 7.642 0.921
29 HE1 TRP 5 1HE TRP 5 -10.110 7.094 -0.686
30 HE3 TRP 5 3HE TRP 5 -5.789 4.374 -2.009
31 HZ2 TRP 5 2HZ TRP 5 -10.550 5.378 -2.964
32 HZ3 TRP 5 3HZ TRP 5 -6.933 3.234 -3.986
33 HH2 TRP 5 HH TRP 5 -9.325 3.707 -4.422
34 H PHE 6 H PHE 6 -3.277 9.185 0.500
35 HA PHE 6 HA PHE 6 -1.164 7.290 1.051
36 HB2 PHE 6 1HB PHE 6 -1.074 9.002 -0.698
37 HB3 PHE 6 2HB PHE 6 -1.243 10.277 0.500
38 HD1 PHE 6 2HD PHE 6 0.999 7.343 -0.288
39 HD2 PHE 6 1HD PHE 6 0.755 11.387 1.177
40 HE1 PHE 6 2HE PHE 6 3.468 7.448 -0.187
41 HE2 PHE 6 1HE PHE 6 3.234 11.493 1.278
42 HZ PHE 6 HZ PHE 6 4.580 9.516 0.579
43 H THR 7 H THR 7 -0.527 6.752 3.180
44 HA THR 7 HA THR 7 -0.457 8.992 5.143
45 HB THR 7 HB THR 7 -0.992 7.501 6.939
46 HG1 THR 7 1HG THR 7 -0.836 5.553 5.015
47 HG21 THR 7 3HG2 THR 7 -3.372 7.122 6.407
48 HG22 THR 7 1HG2 THR 7 -2.827 8.722 5.870
49 HG23 THR 7 2HG2 THR 7 -3.069 7.413 4.708
50 HA PRO 8 HA PRO 8 3.853 7.635 4.495
51 HB2 PRO 8 1HB PRO 8 5.050 10.054 4.917
52 HB3 PRO 8 2HB PRO 8 4.283 9.590 3.363
53 HG2 PRO 8 1HG PRO 8 3.081 11.225 5.619
54 HG3 PRO 8 2HG PRO 8 3.061 11.590 3.867
55 HD2 PRO 8 1HD PRO 8 0.962 10.450 5.066
56 HD3 PRO 8 2HD PRO 8 1.439 9.971 3.419
57 H ASP 9 H ASP 9 2.187 9.126 7.179
58 HA ASP 9 HA ASP 9 3.956 9.032 9.294
59 HB2 ASP 9 1HB ASP 9 1.069 8.846 8.924
60 HB3 ASP 9 2HB ASP 9 1.554 7.689 10.142
61 H THR 10 H THR 10 2.256 6.288 7.750
62 HA THR 10 HA THR 10 4.031 4.471 9.266
63 HB THR 10 HB THR 10 1.659 4.373 9.853
64 HG1 THR 10 1HG THR 10 3.110 2.519 9.874
65 HG21 THR 10 3HG2 THR 10 1.270 3.468 6.973
66 HG22 THR 10 1HG2 THR 10 0.071 3.272 8.254
67 HG23 THR 10 2HG2 THR 10 0.570 4.895 7.751
68 H CYS 11 H CYS 11 3.509 5.691 6.090
69 HA CYS 11 HA CYS 11 4.468 3.181 4.840
70 HB2 CYS 11 1HB CYS 11 2.558 4.718 3.935
71 HB3 CYS 11 2HB CYS 11 3.848 5.724 3.355
72 H ALA 12 H ALA 12 6.514 2.983 3.829
73 HA ALA 12 HA ALA 12 8.536 4.768 4.949
74 HB1 ALA 12 1HB ALA 12 8.757 2.122 3.445
75 HB2 ALA 12 2HB ALA 12 10.073 2.957 4.287
76 HB3 ALA 12 3HB ALA 12 8.720 2.321 5.217
77 H TYR 13 H TYR 13 6.863 5.698 2.571
78 HA TYR 13 HA TYR 13 9.050 6.162 0.639
79 HB2 TYR 13 1HB TYR 13 6.331 4.961 0.011
80 HB3 TYR 13 2HB TYR 13 7.421 5.616 -1.211
81 HD1 TYR 13 2HD TYR 13 9.580 4.588 -1.670
82 HD2 TYR 13 1HD TYR 13 6.764 2.762 0.998
83 HE1 TYR 13 2HE TYR 13 10.808 2.441 -1.868
84 HE2 TYR 13 1HE TYR 13 7.898 0.589 0.725
85 HH TYR 13 HH TYR 13 10.878 0.211 -1.288
86 H GLY 14 H GLY 14 8.668 7.960 -0.786
87 HA2 GLY 14 1HA GLY 14 6.939 10.034 0.392
88 HA3 GLY 14 2HA GLY 14 8.331 10.257 -0.665
89 H ASP 15 H ASP 15 6.220 7.797 -1.933
90 HA ASP 15 HA ASP 15 4.708 9.767 -3.540
91 HB2 ASP 15 1HB ASP 15 6.907 8.081 -4.545
92 HB3 ASP 15 2HB ASP 15 5.357 7.696 -5.306
93 H SER 16 H SER 16 2.635 9.148 -3.767
94 HA SER 16 HA SER 16 1.570 6.915 -2.364
95 HB2 SER 16 1HB SER 16 -0.522 7.619 -3.320
96 HB3 SER 16 2HB SER 16 0.380 8.968 -2.618
97 HG SER 16 HG SER 16 -0.148 9.805 -4.501
98 H ASN 17 H ASN 17 2.441 7.455 -5.759
99 HA ASN 17 HA ASN 17 1.409 5.003 -6.955
100 HB2 ASN 17 1HB ASN 17 3.580 7.034 -7.688
101 HB3 ASN 17 2HB ASN 17 3.412 5.507 -8.544
102 HD21 ASN 17 1HD2 ASN 17 1.045 8.063 -7.440
103 HD22 ASN 17 2HD2 ASN 17 0.179 8.047 -8.965
104 H THR 18 H THR 18 4.705 5.983 -5.824
105 HA THR 18 HA THR 18 5.751 3.496 -6.301
106 HB THR 18 HB THR 18 6.642 5.501 -4.182
107 HG1 THR 18 1HG THR 18 7.027 5.330 -7.011
108 HG21 THR 18 3HG2 THR 18 7.924 3.217 -4.452
109 HG22 THR 18 1HG2 THR 18 8.491 3.892 -5.970
110 HG23 THR 18 2HG2 THR 18 8.833 4.719 -4.435
111 H ALA 19 H ALA 19 4.548 4.773 -3.152
112 HA ALA 19 HA ALA 19 4.865 2.574 -1.497
113 HB1 ALA 19 1HB ALA 19 2.827 3.511 -0.333
114 HB2 ALA 19 2HB ALA 19 4.145 4.672 -0.625
115 HB3 ALA 19 3HB ALA 19 2.682 4.691 -1.648
116 H TRP 20 H TRP 20 1.894 3.361 -3.373
117 HA TRP 20 HA TRP 20 0.403 1.069 -2.825
118 HB2 TRP 20 1HB TRP 20 -0.457 3.069 -3.915
119 HB3 TRP 20 2HB TRP 20 0.579 2.798 -5.307
120 HD1 TRP 20 HD TRP 20 -0.069 0.844 -6.941
121 HE1 TRP 20 1HE TRP 20 -2.341 -0.112 -7.608
122 HE3 TRP 20 3HE TRP 20 -2.672 2.200 -2.786
123 HZ2 TRP 20 2HZ TRP 20 -5.048 -0.100 -6.500
124 HZ3 TRP 20 3HZ TRP 20 -5.112 1.810 -2.652
125 HH2 TRP 20 HH TRP 20 -6.312 0.695 -4.572
126 H THR 21 H THR 21 2.773 1.607 -5.488
127 HA THR 21 HA THR 21 2.333 -0.943 -6.652
128 HB THR 21 HB THR 21 5.033 0.370 -6.958
129 HG1 THR 21 1HG THR 21 3.448 2.106 -7.088
130 HG21 THR 21 3HG2 THR 21 4.390 -1.655 -8.222
131 HG22 THR 21 1HG2 THR 21 2.952 -0.789 -8.849
132 HG23 THR 21 2HG2 THR 21 4.573 -0.269 -9.313
133 H THR 22 H THR 22 4.740 0.102 -4.154
134 HA THR 22 HA THR 22 6.094 -2.411 -3.975
135 HB THR 22 HB THR 22 5.696 -0.091 -2.093
136 HG1 THR 22 1HG THR 22 7.968 -1.191 -3.407
137 HG21 THR 22 3HG2 THR 22 7.451 -2.530 -1.646
138 HG22 THR 22 1HG2 THR 22 7.563 -1.010 -0.755
139 HG23 THR 22 2HG2 THR 22 6.097 -1.993 -0.609
140 H CYS 23 H CYS 23 3.117 -1.126 -2.396
141 HA CYS 23 HA CYS 23 2.681 -3.482 -0.841
142 HB2 CYS 23 1HB CYS 23 0.665 -1.420 -1.800
143 HB3 CYS 23 2HB CYS 23 0.450 -2.586 -0.505
144 H THR 24 H THR 24 1.881 -2.799 -4.264
145 HA THR 24 HA THR 24 0.110 -5.124 -4.216
146 HB THR 24 HB THR 24 -0.486 -4.424 -6.503
147 HG1 THR 24 1HG THR 24 0.341 -2.791 -7.438
148 HG21 THR 24 3HG2 THR 24 -1.748 -2.425 -5.931
149 HG22 THR 24 1HG2 THR 24 -1.823 -3.581 -4.594
150 HG23 THR 24 2HG2 THR 24 -0.771 -2.167 -4.480
151 H THR 25 H THR 25 3.433 -4.785 -4.710
152 HA THR 25 HA THR 25 3.442 -7.024 -6.683
153 HB THR 25 HB THR 25 5.654 -6.109 -7.365
154 HG1 THR 25 1HG THR 25 4.934 -3.790 -5.946
155 HG21 THR 25 3HG2 THR 25 3.403 -4.054 -7.614
156 HG22 THR 25 1HG2 THR 25 4.872 -4.169 -8.607
157 HG23 THR 25 2HG2 THR 25 3.652 -5.457 -8.668
158 HA PRO 26 HA PRO 26 5.354 -9.475 -3.637
159 HB2 PRO 26 1HB PRO 26 7.085 -11.119 -4.992
160 HB3 PRO 26 2HB PRO 26 5.325 -11.274 -5.051
161 HG2 PRO 26 1HG PRO 26 7.141 -9.985 -7.062
162 HG3 PRO 26 2HG PRO 26 5.693 -11.015 -7.335
163 HD2 PRO 26 1HD PRO 26 5.676 -8.258 -7.495
164 HD3 PRO 26 2HD PRO 26 4.241 -9.210 -7.029
165 H GLY 27 H GLY 27 6.569 -8.532 -2.164
166 HA2 GLY 27 1HA GLY 27 9.394 -8.166 -2.413
167 HA3 GLY 27 2HA GLY 27 8.510 -6.643 -2.378
168 H GLN 28 H GLN 28 9.764 -6.505 -0.260
169 HA GLN 28 HA GLN 28 9.484 -8.157 1.917
170 HB2 GLN 28 1HB GLN 28 10.028 -6.236 3.298
171 HB3 GLN 28 2HB GLN 28 11.073 -6.334 1.886
172 HG2 GLN 28 1HG GLN 28 8.686 -4.456 1.895
173 HG3 GLN 28 2HG GLN 28 10.150 -4.039 2.730
174 HE21 GLN 28 1HE2 GLN 28 8.668 -4.363 -0.502
175 HE22 GLN 28 2HE2 GLN 28 10.042 -3.655 -1.311
176 H THR 29 H THR 29 7.118 -5.790 0.809
177 HA THR 29 HA THR 29 5.091 -6.509 2.833
178 HB THR 29 HB THR 29 4.826 -4.125 3.384
179 HG1 THR 29 1HG THR 29 5.897 -3.303 1.529
180 HG21 THR 29 3HG2 THR 29 6.619 -3.817 4.908
181 HG22 THR 29 1HG2 THR 29 6.165 -5.522 4.894
182 HG23 THR 29 2HG2 THR 29 7.640 -4.987 4.069
183 H CYS 30 H CYS 30 4.458 -7.563 0.813
184 HA CYS 30 HA CYS 30 3.098 -5.805 -1.122
185 HB2 CYS 30 1HB CYS 30 4.166 -8.004 -1.887
186 HB3 CYS 30 2HB CYS 30 2.987 -8.847 -0.884
187 H TYR 31 H TYR 31 0.803 -7.442 -1.004
188 HA TYR 31 HA TYR 31 -1.123 -6.192 -0.250
189 HB2 TYR 31 1HB TYR 31 -1.176 -8.589 -0.862
190 HB3 TYR 31 2HB TYR 31 -0.720 -9.055 0.746
191 HD1 TYR 31 2HD TYR 31 -2.299 -8.690 2.676
192 HD2 TYR 31 1HD TYR 31 -3.535 -8.494 -1.450
193 HE1 TYR 31 2HE TYR 31 -4.572 -9.295 3.337
194 HE2 TYR 31 1HE TYR 31 -5.840 -8.999 -0.782
195 HH TYR 31 HH TYR 31 -6.721 -9.615 2.656
196 H THR 32 H THR 32 0.556 -7.606 2.518
197 HA THR 32 HA THR 32 -1.095 -6.584 4.652
198 HB THR 32 HB THR 32 1.963 -6.700 4.614
199 HG1 THR 32 1HG THR 32 1.802 -8.736 5.352
200 HG21 THR 32 3HG2 THR 32 -0.156 -6.834 6.784
201 HG22 THR 32 1HG2 THR 32 1.592 -7.205 7.047
202 HG23 THR 32 2HG2 THR 32 1.091 -5.584 6.552
203 H CYS 33 H CYS 33 1.514 -5.139 2.793
204 HA CYS 33 HA CYS 33 1.994 -2.707 3.977
205 HB2 CYS 33 1HB CYS 33 3.288 -3.734 2.308
206 HB3 CYS 33 2HB CYS 33 2.045 -3.713 1.124
207 H CYS 34 H CYS 34 -0.708 -3.559 1.828
208 HA CYS 34 HA CYS 34 -1.802 -1.087 1.120
209 HB2 CYS 34 1HB CYS 34 -3.129 -3.579 2.077
210 HB3 CYS 34 2HB CYS 34 -3.882 -2.279 1.190
211 H SER 35 H SER 35 -1.936 -2.887 4.172
212 HA SER 35 HA SER 35 -3.554 -0.896 5.591
213 HB2 SER 35 1HB SER 35 -3.634 -3.424 5.951
214 HB3 SER 35 2HB SER 35 -2.055 -3.287 6.735
215 HG SER 35 HG SER 35 -2.923 -2.130 8.345
216 H SER 36 H SER 36 -0.071 -1.899 5.532
217 HA SER 36 HA SER 36 0.649 -0.055 7.647
218 HB2 SER 36 1HB SER 36 2.444 -1.529 5.691
219 HB3 SER 36 2HB SER 36 2.910 -0.830 7.241
220 HG SER 36 HG SER 36 1.924 -2.391 8.311
221 H CYS 37 H CYS 37 -0.539 1.041 4.974
222 HA CYS 37 HA CYS 37 1.448 3.206 4.609
223 HB2 CYS 37 1HB CYS 37 0.724 1.137 2.565
224 HB3 CYS 37 2HB CYS 37 0.998 2.789 2.018
225 H PHE 38 H PHE 38 -1.962 2.094 4.297
226 HA PHE 38 HA PHE 38 -2.637 4.819 3.340
227 HB2 PHE 38 1HB PHE 38 -3.748 2.179 2.343
228 HB3 PHE 38 2HB PHE 38 -4.338 3.769 1.906
229 HD1 PHE 38 1HD PHE 38 -3.084 5.245 0.391
230 HD2 PHE 38 2HD PHE 38 -1.578 1.346 1.399
231 HE1 PHE 38 1HE PHE 38 -1.446 5.431 -1.437
232 HE2 PHE 38 2HE PHE 38 0.099 1.543 -0.420
233 HZ PHE 38 HZ PHE 38 0.180 3.622 -1.817
234 H ASP 39 H ASP 39 -4.827 5.471 3.743
235 HA ASP 39 HA ASP 39 -6.032 4.682 6.264
236 HB2 ASP 39 1HB ASP 39 -7.449 5.748 3.790
237 HB3 ASP 39 2HB ASP 39 -8.104 5.708 5.404
238 H VAL 40 H VAL 40 -8.113 3.597 6.437
239 HA VAL 40 HA VAL 40 -8.337 1.074 5.511
240 HB VAL 40 HB VAL 40 -9.550 1.952 7.358
241 HG11 VAL 40 1HG1 VAL 40 -9.972 4.305 6.519
242 HG12 VAL 40 2HG1 VAL 40 -11.276 3.657 5.507
243 HG13 VAL 40 3HG1 VAL 40 -11.368 3.544 7.261
244 HG21 VAL 40 3HG2 VAL 40 -11.599 1.203 5.241
245 HG22 VAL 40 1HG2 VAL 40 -10.561 0.055 6.108
246 HG23 VAL 40 2HG2 VAL 40 -11.751 1.019 7.000
247 H VAL 41 H VAL 41 -9.595 4.018 3.869
248 HA VAL 41 HA VAL 41 -11.101 2.629 1.921
249 HB VAL 41 HB VAL 41 -9.884 5.422 1.668
250 HG11 VAL 41 1HG1 VAL 41 -12.422 4.100 0.572
251 HG12 VAL 41 2HG1 VAL 41 -12.050 5.837 0.419
252 HG13 VAL 41 3HG1 VAL 41 -11.028 4.628 -0.361
253 HG21 VAL 41 3HG2 VAL 41 -10.910 5.472 3.829
254 HG22 VAL 41 1HG2 VAL 41 -12.076 6.193 2.729
255 HG23 VAL 41 2HG2 VAL 41 -12.299 4.507 3.279
256 H GLY 42 H GLY 42 -7.674 3.484 2.088
257 HA2 GLY 42 1HA GLY 42 -7.245 2.703 -0.734
258 HA3 GLY 42 2HA GLY 42 -6.057 3.452 0.344
259 H GLU 43 H GLU 43 -6.759 1.578 2.570
260 HA GLU 43 HA GLU 43 -5.048 -0.549 2.161
261 HB2 GLU 43 1HB GLU 43 -5.735 0.201 4.347
262 HB3 GLU 43 2HB GLU 43 -7.397 -0.273 4.055
263 HG2 GLU 43 1HG GLU 43 -5.496 -2.523 3.690
264 HG3 GLU 43 2HG GLU 43 -5.433 -1.798 5.296
265 H GLN 44 H GLN 44 -8.739 -0.854 2.125
266 HA GLN 44 HA GLN 44 -8.426 -3.491 1.145
267 HB2 GLN 44 1HB GLN 44 -10.499 -2.426 2.328
268 HB3 GLN 44 2HB GLN 44 -10.964 -1.888 0.707
269 HG2 GLN 44 1HG GLN 44 -10.521 -4.391 0.025
270 HG3 GLN 44 2HG GLN 44 -10.542 -4.724 1.747
271 HE21 GLN 44 1HE2 GLN 44 -12.456 -4.860 -0.988
272 HE22 GLN 44 2HE2 GLN 44 -14.018 -4.662 -0.231
273 H ALA 45 H ALA 45 -8.679 -0.346 -0.478
274 HA ALA 45 HA ALA 45 -9.298 -1.305 -3.067
275 HB1 ALA 45 1HB ALA 45 -9.527 1.058 -2.444
276 HB2 ALA 45 2HB ALA 45 -7.757 1.198 -2.305
277 HB3 ALA 45 3HB ALA 45 -8.513 0.871 -3.879
278 H CYS 46 H CYS 46 -6.232 -0.866 -1.336
279 HA CYS 46 HA CYS 46 -4.525 -1.687 -3.525
280 HB2 CYS 46 1HB CYS 46 -3.662 -0.217 -1.863
281 HB3 CYS 46 2HB CYS 46 -4.202 -1.222 -0.556
282 H GLN 47 H GLN 47 -5.658 -3.353 -0.469
283 HA GLN 47 HA GLN 47 -4.594 -5.826 -1.032
284 HB2 GLN 47 1HB GLN 47 -7.287 -5.370 0.325
285 HB3 GLN 47 2HB GLN 47 -6.311 -6.800 0.418
286 HG2 GLN 47 1HG GLN 47 -4.465 -4.947 1.121
287 HG3 GLN 47 2HG GLN 47 -5.921 -4.204 1.776
288 HE21 GLN 47 1HE2 GLN 47 -3.323 -5.653 2.724
289 HE22 GLN 47 2HE2 GLN 47 -3.810 -6.371 4.210
290 H MET 48 H MET 48 -7.642 -4.602 -2.388
291 HA MET 48 HA MET 48 -8.230 -7.011 -3.873
292 HB2 MET 48 1HB MET 48 -10.033 -5.833 -4.822
293 HB3 MET 48 2HB MET 48 -9.880 -5.290 -3.136
294 HG2 MET 48 1HG MET 48 -8.887 -3.248 -3.838
295 HG3 MET 48 2HG MET 48 -8.843 -3.737 -5.525
296 HE1 MET 48 3HE MET 48 -12.382 -2.127 -3.096
297 HE2 MET 48 1HE MET 48 -12.228 -3.889 -3.020
298 HE3 MET 48 2HE MET 48 -10.899 -2.850 -2.464
299 H SER 49 H SER 49 -5.934 -4.805 -4.363
300 HA SER 49 HA SER 49 -5.652 -5.220 -7.311
301 HB2 SER 49 1HB SER 49 -4.622 -2.951 -5.558
302 HB3 SER 49 2HB SER 49 -4.355 -3.103 -7.288
303 HG SER 49 HG SER 49 -6.668 -2.471 -5.859
304 H ALA 50 H ALA 50 -4.341 -6.110 -4.295
305 HA ALA 50 HA ALA 50 -1.566 -5.882 -5.065
306 HB1 ALA 50 1HB ALA 50 -3.025 -6.656 -2.515
307 HB2 ALA 50 2HB ALA 50 -1.246 -6.667 -2.650
308 HB3 ALA 50 3HB ALA 50 -2.156 -5.153 -2.832
309 H GLN 51 H GLN 51 -0.407 -7.411 -6.045
310 HA GLN 51 HA GLN 51 -1.286 -10.239 -5.907
311 HB2 GLN 51 1HB GLN 51 -0.919 -8.577 -8.439
312 HB3 GLN 51 2HB GLN 51 -1.164 -10.340 -8.344
313 HG2 GLN 51 1HG GLN 51 -3.362 -9.941 -7.203
314 HG3 GLN 51 2HG GLN 51 -3.135 -8.197 -7.418
315 HE21 GLN 51 1HE2 GLN 51 -5.402 -9.245 -8.400
316 HE22 GLN 51 2HE2 GLN 51 -5.320 -9.416 -10.163
317 H CYS 52 H CYS 52 0.463 -10.666 -4.707
318 HA CYS 52 HA CYS 52 3.160 -10.474 -5.784
319 HB2 CYS 52 1HB CYS 52 3.425 -12.120 -3.801
320 HB3 CYS 52 2HB CYS 52 3.309 -10.401 -3.484
Start of MODEL 15
1 H1 ASN 1 H ASN 1 -8.861 8.382 -4.450
2 HA ASN 1 HA ASN 1 -7.629 6.382 -6.261
3 HB2 ASN 1 1HB ASN 1 -6.185 8.182 -7.153
4 HB3 ASN 1 2HB ASN 1 -7.882 8.507 -7.487
5 HD21 ASN 1 1HD2 ASN 1 -5.147 10.237 -6.678
6 HD22 ASN 1 2HD2 ASN 1 -5.840 11.330 -5.501
7 HA PRO 2 HA PRO 2 -4.940 5.598 -2.964
8 HB2 PRO 2 1HB PRO 2 -2.471 4.991 -4.159
9 HB3 PRO 2 2HB PRO 2 -3.944 4.006 -4.113
10 HG2 PRO 2 1HG PRO 2 -3.060 5.867 -6.307
11 HG3 PRO 2 2HG PRO 2 -3.590 4.147 -6.424
12 HD2 PRO 2 1HD PRO 2 -5.293 6.179 -6.937
13 HD3 PRO 2 2HD PRO 2 -5.842 4.720 -6.057
14 H GLU 3 H GLU 3 -4.214 8.481 -4.784
15 HA GLU 3 HA GLU 3 -2.089 9.311 -2.974
16 HB2 GLU 3 1HB GLU 3 -2.628 9.786 -5.580
17 HB3 GLU 3 2HB GLU 3 -3.468 11.175 -4.918
18 HG2 GLU 3 1HG GLU 3 -1.465 12.132 -4.099
19 HG3 GLU 3 2HG GLU 3 -0.618 10.574 -4.067
20 H ASP 4 H ASP 4 -5.542 9.431 -3.113
21 HA ASP 4 HA ASP 4 -5.950 11.730 -1.370
22 HB2 ASP 4 1HB ASP 4 -7.487 10.048 -3.085
23 HB3 ASP 4 2HB ASP 4 -8.135 9.777 -1.499
24 H TRP 5 H TRP 5 -5.228 8.349 -1.113
25 HA TRP 5 HA TRP 5 -6.236 8.125 1.642
26 HB2 TRP 5 1HB TRP 5 -5.393 5.989 -0.289
27 HB3 TRP 5 2HB TRP 5 -6.085 5.721 1.297
28 HD1 TRP 5 HD TRP 5 -8.489 7.764 1.228
29 HE1 TRP 5 1HE TRP 5 -10.501 7.368 -0.265
30 HE3 TRP 5 3HE TRP 5 -6.352 4.562 -1.986
31 HZ2 TRP 5 2HZ TRP 5 -11.100 5.839 -2.712
32 HZ3 TRP 5 3HZ TRP 5 -7.618 3.600 -3.957
33 HH2 TRP 5 HH TRP 5 -9.993 4.220 -4.291
34 H PHE 6 H PHE 6 -3.603 9.347 0.458
35 HA PHE 6 HA PHE 6 -1.553 7.625 1.107
36 HB2 PHE 6 1HB PHE 6 -1.526 9.295 -0.652
37 HB3 PHE 6 2HB PHE 6 -1.532 10.590 0.543
38 HD1 PHE 6 2HD PHE 6 0.354 7.637 -0.754
39 HD2 PHE 6 1HD PHE 6 0.614 11.316 1.486
40 HE1 PHE 6 2HE PHE 6 2.827 7.444 -0.717
41 HE2 PHE 6 1HE PHE 6 3.083 11.082 1.564
42 HZ PHE 6 HZ PHE 6 4.176 9.094 0.510
43 H THR 7 H THR 7 -1.089 7.023 3.246
44 HA THR 7 HA THR 7 -0.855 9.186 5.278
45 HB THR 7 HB THR 7 -1.463 7.686 7.013
46 HG1 THR 7 1HG THR 7 -0.959 5.723 5.358
47 HG21 THR 7 3HG2 THR 7 -3.285 8.887 5.808
48 HG22 THR 7 1HG2 THR 7 -3.488 7.486 4.737
49 HG23 THR 7 2HG2 THR 7 -3.817 7.325 6.470
50 HA PRO 8 HA PRO 8 3.450 7.718 4.640
51 HB2 PRO 8 1HB PRO 8 4.708 10.082 5.222
52 HB3 PRO 8 2HB PRO 8 3.968 9.717 3.634
53 HG2 PRO 8 1HG PRO 8 2.682 11.195 5.970
54 HG3 PRO 8 2HG PRO 8 2.787 11.737 4.268
55 HD2 PRO 8 1HD PRO 8 0.582 10.575 5.070
56 HD3 PRO 8 2HD PRO 8 1.282 10.075 3.525
57 H ASP 9 H ASP 9 1.777 8.972 7.394
58 HA ASP 9 HA ASP 9 3.436 8.748 9.584
59 HB2 ASP 9 1HB ASP 9 0.596 7.980 8.981
60 HB3 ASP 9 2HB ASP 9 1.301 7.280 10.411
61 H THR 10 H THR 10 1.867 6.080 7.800
62 HA THR 10 HA THR 10 3.465 4.178 9.382
63 HB THR 10 HB THR 10 1.083 4.012 9.540
64 HG1 THR 10 1HG THR 10 2.058 2.101 9.681
65 HG21 THR 10 3HG2 THR 10 1.036 3.770 6.542
66 HG22 THR 10 1HG2 THR 10 -0.311 3.241 7.574
67 HG23 THR 10 2HG2 THR 10 0.194 4.934 7.564
68 H CYS 11 H CYS 11 3.378 5.531 6.186
69 HA CYS 11 HA CYS 11 4.490 3.089 4.961
70 HB2 CYS 11 1HB CYS 11 2.689 4.753 3.944
71 HB3 CYS 11 2HB CYS 11 4.092 5.683 3.503
72 H ALA 12 H ALA 12 6.545 2.974 3.954
73 HA ALA 12 HA ALA 12 8.570 4.759 5.051
74 HB1 ALA 12 1HB ALA 12 10.121 3.022 4.216
75 HB2 ALA 12 2HB ALA 12 8.845 2.320 5.212
76 HB3 ALA 12 3HB ALA 12 8.768 2.181 3.432
77 H TYR 13 H TYR 13 6.710 5.197 2.408
78 HA TYR 13 HA TYR 13 8.930 6.203 0.701
79 HB2 TYR 13 1HB TYR 13 6.445 4.762 -0.206
80 HB3 TYR 13 2HB TYR 13 7.574 5.588 -1.271
81 HD1 TYR 13 2HD TYR 13 10.101 4.864 -1.138
82 HD2 TYR 13 1HD TYR 13 6.825 2.500 0.344
83 HE1 TYR 13 2HE TYR 13 11.512 2.840 -1.291
84 HE2 TYR 13 1HE TYR 13 8.202 0.445 0.124
85 HH TYR 13 HH TYR 13 10.325 -0.303 -1.324
86 H GLY 14 H GLY 14 8.215 7.958 -0.734
87 HA2 GLY 14 1HA GLY 14 6.385 9.781 0.718
88 HA3 GLY 14 2HA GLY 14 7.701 10.227 -0.355
89 H ASP 15 H ASP 15 6.315 7.756 -2.061
90 HA ASP 15 HA ASP 15 4.519 9.622 -3.557
91 HB2 ASP 15 1HB ASP 15 6.459 7.487 -4.472
92 HB3 ASP 15 2HB ASP 15 5.170 8.132 -5.502
93 H SER 16 H SER 16 2.458 8.963 -3.607
94 HA SER 16 HA SER 16 1.424 6.495 -2.714
95 HB2 SER 16 1HB SER 16 -0.076 8.301 -2.907
96 HB3 SER 16 2HB SER 16 0.435 8.663 -4.569
97 HG SER 16 HG SER 16 -0.954 7.367 -5.312
98 H ASN 17 H ASN 17 2.905 7.344 -5.827
99 HA ASN 17 HA ASN 17 2.004 5.024 -7.414
100 HB2 ASN 17 1HB ASN 17 4.434 6.914 -7.673
101 HB3 ASN 17 2HB ASN 17 4.028 5.609 -8.790
102 HD21 ASN 17 1HD2 ASN 17 2.554 8.662 -7.360
103 HD22 ASN 17 2HD2 ASN 17 1.677 8.981 -8.804
104 H THR 18 H THR 18 5.135 5.876 -6.049
105 HA THR 18 HA THR 18 6.180 3.365 -6.463
106 HB THR 18 HB THR 18 7.040 5.287 -4.259
107 HG1 THR 18 1HG THR 18 7.376 5.347 -7.070
108 HG21 THR 18 3HG2 THR 18 8.246 2.892 -5.174
109 HG22 THR 18 1HG2 THR 18 9.215 4.171 -5.865
110 HG23 THR 18 2HG2 THR 18 8.940 4.141 -4.104
111 H ALA 19 H ALA 19 4.704 4.622 -3.438
112 HA ALA 19 HA ALA 19 5.048 2.341 -1.870
113 HB1 ALA 19 1HB ALA 19 3.239 3.250 -0.524
114 HB2 ALA 19 2HB ALA 19 4.392 4.529 -0.992
115 HB3 ALA 19 3HB ALA 19 2.827 4.412 -1.808
116 H TRP 20 H TRP 20 1.980 3.306 -3.730
117 HA TRP 20 HA TRP 20 0.498 1.037 -3.108
118 HB2 TRP 20 1HB TRP 20 -0.411 3.033 -4.176
119 HB3 TRP 20 2HB TRP 20 0.602 2.756 -5.593
120 HD1 TRP 20 HD TRP 20 -0.074 1.008 -7.264
121 HE1 TRP 20 1HE TRP 20 -2.282 -0.166 -7.878
122 HE3 TRP 20 3HE TRP 20 -2.595 2.126 -3.073
123 HZ2 TRP 20 2HZ TRP 20 -4.947 -0.331 -6.719
124 HZ3 TRP 20 3HZ TRP 20 -5.038 1.581 -2.869
125 HH2 TRP 20 HH TRP 20 -6.199 0.353 -4.742
126 H THR 21 H THR 21 2.796 1.542 -5.889
127 HA THR 21 HA THR 21 2.351 -1.001 -7.033
128 HB THR 21 HB THR 21 4.882 0.686 -7.166
129 HG1 THR 21 1HG THR 21 2.487 0.747 -8.706
130 HG21 THR 21 3HG2 THR 21 3.554 -1.325 -9.016
131 HG22 THR 21 1HG2 THR 21 4.777 -0.177 -9.556
132 HG23 THR 21 2HG2 THR 21 5.201 -1.411 -8.329
133 H THR 22 H THR 22 4.802 0.034 -4.552
134 HA THR 22 HA THR 22 6.019 -2.511 -4.222
135 HB THR 22 HB THR 22 5.673 -0.093 -2.462
136 HG1 THR 22 1HG THR 22 7.087 -0.607 -4.519
137 HG21 THR 22 3HG2 THR 22 7.442 -1.117 -1.037
138 HG22 THR 22 1HG2 THR 22 5.917 -1.995 -0.916
139 HG23 THR 22 2HG2 THR 22 7.245 -2.637 -1.913
140 H CYS 23 H CYS 23 3.155 -1.074 -2.512
141 HA CYS 23 HA CYS 23 2.711 -3.378 -0.915
142 HB2 CYS 23 1HB CYS 23 0.691 -1.315 -1.888
143 HB3 CYS 23 2HB CYS 23 0.489 -2.436 -0.550
144 H THR 24 H THR 24 2.090 -2.961 -4.315
145 HA THR 24 HA THR 24 0.139 -5.151 -4.200
146 HB THR 24 HB THR 24 -0.571 -4.276 -6.461
147 HG1 THR 24 1HG THR 24 0.803 -1.953 -5.669
148 HG21 THR 24 3HG2 THR 24 -1.865 -2.383 -5.594
149 HG22 THR 24 1HG2 THR 24 -1.876 -3.702 -4.427
150 HG23 THR 24 2HG2 THR 24 -0.837 -2.291 -4.154
151 H THR 25 H THR 25 3.388 -4.926 -4.835
152 HA THR 25 HA THR 25 3.229 -7.169 -6.789
153 HB THR 25 HB THR 25 5.256 -6.273 -7.860
154 HG1 THR 25 1HG THR 25 4.788 -3.907 -6.389
155 HG21 THR 25 3HG2 THR 25 3.051 -4.156 -7.835
156 HG22 THR 25 1HG2 THR 25 4.276 -4.428 -9.083
157 HG23 THR 25 2HG2 THR 25 3.028 -5.650 -8.779
158 HA PRO 26 HA PRO 26 5.227 -9.417 -3.800
159 HB2 PRO 26 1HB PRO 26 7.234 -10.940 -4.966
160 HB3 PRO 26 2HB PRO 26 5.478 -11.231 -5.165
161 HG2 PRO 26 1HG PRO 26 7.347 -9.747 -7.020
162 HG3 PRO 26 2HG PRO 26 6.098 -10.961 -7.442
163 HD2 PRO 26 1HD PRO 26 5.670 -8.285 -7.670
164 HD3 PRO 26 2HD PRO 26 4.357 -9.378 -7.164
165 H GLY 27 H GLY 27 6.733 -9.247 -2.142
166 HA2 GLY 27 1HA GLY 27 9.395 -8.332 -2.296
167 HA3 GLY 27 2HA GLY 27 8.376 -6.903 -2.151
168 H GLN 28 H GLN 28 9.682 -6.754 -0.064
169 HA GLN 28 HA GLN 28 9.387 -8.516 2.099
170 HB2 GLN 28 1HB GLN 28 9.916 -6.566 3.529
171 HB3 GLN 28 2HB GLN 28 11.060 -6.836 2.237
172 HG2 GLN 28 1HG GLN 28 8.930 -4.795 1.673
173 HG3 GLN 28 2HG GLN 28 10.053 -4.415 2.935
174 HE21 GLN 28 1HE2 GLN 28 9.574 -4.269 -0.404
175 HE22 GLN 28 2HE2 GLN 28 11.246 -3.926 -0.856
176 H THR 29 H THR 29 7.326 -5.875 1.061
177 HA THR 29 HA THR 29 5.077 -6.597 2.847
178 HB THR 29 HB THR 29 4.927 -4.149 3.447
179 HG1 THR 29 1HG THR 29 6.348 -3.164 2.098
180 HG21 THR 29 3HG2 THR 29 7.422 -5.488 4.540
181 HG22 THR 29 1HG2 THR 29 6.427 -4.240 5.316
182 HG23 THR 29 2HG2 THR 29 5.748 -5.841 5.053
183 H CYS 30 H CYS 30 4.483 -7.447 0.843
184 HA CYS 30 HA CYS 30 3.281 -5.548 -1.075
185 HB2 CYS 30 1HB CYS 30 4.249 -7.727 -1.982
186 HB3 CYS 30 2HB CYS 30 3.090 -8.579 -0.978
187 H TYR 31 H TYR 31 0.960 -7.411 -0.901
188 HA TYR 31 HA TYR 31 -1.007 -6.204 -0.154
189 HB2 TYR 31 1HB TYR 31 -0.967 -8.642 -0.602
190 HB3 TYR 31 2HB TYR 31 -0.388 -8.966 1.007
191 HD1 TYR 31 1HD TYR 31 -1.900 -8.602 3.017
192 HD2 TYR 31 2HD TYR 31 -3.333 -8.620 -1.065
193 HE1 TYR 31 1HE TYR 31 -4.191 -9.053 3.818
194 HE2 TYR 31 2HE TYR 31 -5.621 -8.992 -0.270
195 HH TYR 31 HH TYR 31 -6.555 -8.373 2.759
196 H THR 32 H THR 32 0.845 -7.382 2.626
197 HA THR 32 HA THR 32 -0.860 -6.360 4.711
198 HB THR 32 HB THR 32 2.189 -6.484 4.761
199 HG1 THR 32 1HG THR 32 1.950 -8.562 5.499
200 HG21 THR 32 3HG2 THR 32 1.260 -5.443 6.697
201 HG22 THR 32 1HG2 THR 32 -0.050 -6.629 6.783
202 HG23 THR 32 2HG2 THR 32 1.645 -7.101 7.174
203 H CYS 33 H CYS 33 1.790 -4.943 2.891
204 HA CYS 33 HA CYS 33 2.219 -2.449 3.907
205 HB2 CYS 33 1HB CYS 33 3.483 -3.559 2.215
206 HB3 CYS 33 2HB CYS 33 2.162 -3.549 1.090
207 H CYS 34 H CYS 34 -0.546 -3.474 1.870
208 HA CYS 34 HA CYS 34 -1.687 -1.040 1.055
209 HB2 CYS 34 1HB CYS 34 -2.974 -3.514 2.105
210 HB3 CYS 34 2HB CYS 34 -3.769 -2.225 1.231
211 H SER 35 H SER 35 -1.812 -2.746 4.155
212 HA SER 35 HA SER 35 -3.480 -0.719 5.504
213 HB2 SER 35 1HB SER 35 -3.737 -3.132 6.025
214 HB3 SER 35 2HB SER 35 -2.056 -3.223 6.537
215 HG SER 35 HG SER 35 -2.477 -2.287 8.311
216 H SER 36 H SER 36 -0.039 -1.718 5.403
217 HA SER 36 HA SER 36 0.666 0.101 7.566
218 HB2 SER 36 1HB SER 36 2.609 -1.387 5.811
219 HB3 SER 36 2HB SER 36 2.738 -0.955 7.524
220 HG SER 36 HG SER 36 0.888 -2.459 7.805
221 H CYS 37 H CYS 37 -0.452 1.135 4.921
222 HA CYS 37 HA CYS 37 1.539 3.231 4.526
223 HB2 CYS 37 1HB CYS 37 0.711 1.302 2.403
224 HB3 CYS 37 2HB CYS 37 1.068 2.975 1.956
225 H PHE 38 H PHE 38 -1.862 2.076 3.730
226 HA PHE 38 HA PHE 38 -2.523 4.913 3.119
227 HB2 PHE 38 1HB PHE 38 -3.767 2.322 2.175
228 HB3 PHE 38 2HB PHE 38 -4.312 3.942 1.775
229 HD1 PHE 38 1HD PHE 38 -1.651 1.431 1.178
230 HD2 PHE 38 2HD PHE 38 -3.058 5.394 0.212
231 HE1 PHE 38 1HE PHE 38 0.018 1.590 -0.650
232 HE2 PHE 38 2HE PHE 38 -1.407 5.533 -1.614
233 HZ PHE 38 HZ PHE 38 0.164 3.670 -2.024
234 H ASP 39 H ASP 39 -4.689 5.608 3.622
235 HA ASP 39 HA ASP 39 -5.790 4.879 6.212
236 HB2 ASP 39 1HB ASP 39 -7.338 5.777 3.755
237 HB3 ASP 39 2HB ASP 39 -7.945 5.757 5.380
238 H VAL 40 H VAL 40 -7.752 3.695 6.528
239 HA VAL 40 HA VAL 40 -7.963 1.158 5.606
240 HB VAL 40 HB VAL 40 -9.049 1.994 7.556
241 HG11 VAL 40 1HG1 VAL 40 -9.590 4.337 6.729
242 HG12 VAL 40 2HG1 VAL 40 -10.972 3.632 5.861
243 HG13 VAL 40 3HG1 VAL 40 -10.885 3.545 7.632
244 HG21 VAL 40 3HG2 VAL 40 -11.237 1.003 7.409
245 HG22 VAL 40 1HG2 VAL 40 -11.264 1.208 5.641
246 HG23 VAL 40 2HG2 VAL 40 -10.122 0.073 6.384
247 H VAL 41 H VAL 41 -9.393 4.087 4.053
248 HA VAL 41 HA VAL 41 -11.032 2.649 2.244
249 HB VAL 41 HB VAL 41 -9.940 5.455 1.871
250 HG11 VAL 41 1HG1 VAL 41 -12.637 4.185 1.207
251 HG12 VAL 41 2HG1 VAL 41 -12.203 5.885 0.920
252 HG13 VAL 41 3HG1 VAL 41 -11.362 4.599 0.048
253 HG21 VAL 41 3HG2 VAL 41 -11.892 6.280 3.212
254 HG22 VAL 41 1HG2 VAL 41 -12.157 4.618 3.776
255 HG23 VAL 41 2HG2 VAL 41 -10.655 5.500 4.174
256 H GLY 42 H GLY 42 -7.604 3.565 2.197
257 HA2 GLY 42 1HA GLY 42 -7.321 2.803 -0.655
258 HA3 GLY 42 2HA GLY 42 -6.075 3.494 0.386
259 H GLU 43 H GLU 43 -6.674 1.637 2.632
260 HA GLU 43 HA GLU 43 -5.052 -0.504 2.159
261 HB2 GLU 43 1HB GLU 43 -5.913 0.260 4.367
262 HB3 GLU 43 2HB GLU 43 -7.423 -0.592 4.076
263 HG2 GLU 43 1HG GLU 43 -4.808 -2.088 3.796
264 HG3 GLU 43 2HG GLU 43 -5.404 -1.638 5.403
265 H GLN 44 H GLN 44 -8.714 -0.815 2.146
266 HA GLN 44 HA GLN 44 -8.456 -3.472 1.282
267 HB2 GLN 44 1HB GLN 44 -10.526 -2.308 2.365
268 HB3 GLN 44 2HB GLN 44 -10.949 -1.803 0.719
269 HG2 GLN 44 1HG GLN 44 -10.602 -4.347 0.130
270 HG3 GLN 44 2HG GLN 44 -10.693 -4.608 1.865
271 HE21 GLN 44 1HE2 GLN 44 -12.518 -5.398 -0.542
272 HE22 GLN 44 2HE2 GLN 44 -14.090 -4.915 0.016
273 H ALA 45 H ALA 45 -8.735 -0.408 -0.467
274 HA ALA 45 HA ALA 45 -9.307 -1.484 -3.014
275 HB1 ALA 45 1HB ALA 45 -9.622 0.904 -2.475
276 HB2 ALA 45 2HB ALA 45 -7.878 1.121 -2.251
277 HB3 ALA 45 3HB ALA 45 -8.534 0.750 -3.859
278 H CYS 46 H CYS 46 -6.241 -0.877 -1.305
279 HA CYS 46 HA CYS 46 -4.544 -1.713 -3.534
280 HB2 CYS 46 1HB CYS 46 -3.678 -0.189 -1.881
281 HB3 CYS 46 2HB CYS 46 -4.182 -1.192 -0.548
282 H GLN 47 H GLN 47 -5.576 -3.325 -0.433
283 HA GLN 47 HA GLN 47 -4.477 -5.779 -0.890
284 HB2 GLN 47 1HB GLN 47 -7.247 -5.364 0.302
285 HB3 GLN 47 2HB GLN 47 -6.231 -6.760 0.497
286 HG2 GLN 47 1HG GLN 47 -4.592 -4.603 1.218
287 HG3 GLN 47 2HG GLN 47 -6.153 -4.228 1.915
288 HE21 GLN 47 1HE2 GLN 47 -3.229 -5.445 2.646
289 HE22 GLN 47 2HE2 GLN 47 -3.620 -6.268 4.105
290 H MET 48 H MET 48 -7.601 -4.730 -2.332
291 HA MET 48 HA MET 48 -8.057 -7.211 -3.673
292 HB2 MET 48 1HB MET 48 -9.740 -6.045 -4.975
293 HB3 MET 48 2HB MET 48 -9.854 -5.508 -3.289
294 HG2 MET 48 1HG MET 48 -9.025 -3.433 -3.736
295 HG3 MET 48 2HG MET 48 -8.218 -3.898 -5.228
296 HE1 MET 48 3HE MET 48 -8.817 -1.674 -6.121
297 HE2 MET 48 1HE MET 48 -10.428 -1.236 -6.730
298 HE3 MET 48 2HE MET 48 -10.059 -1.069 -5.004
299 H SER 49 H SER 49 -5.869 -4.703 -4.370
300 HA SER 49 HA SER 49 -5.455 -5.478 -7.180
301 HB2 SER 49 1HB SER 49 -5.385 -2.940 -5.613
302 HB3 SER 49 2HB SER 49 -4.103 -3.120 -6.773
303 HG SER 49 HG SER 49 -5.698 -3.674 -8.352
304 H ALA 50 H ALA 50 -4.310 -6.353 -4.248
305 HA ALA 50 HA ALA 50 -1.483 -5.982 -4.822
306 HB1 ALA 50 1HB ALA 50 -2.173 -5.314 -2.607
307 HB2 ALA 50 2HB ALA 50 -2.987 -6.870 -2.340
308 HB3 ALA 50 3HB ALA 50 -1.206 -6.781 -2.443
309 H GLN 51 H GLN 51 -0.686 -7.341 -6.212
310 HA GLN 51 HA GLN 51 -1.509 -10.194 -6.155
311 HB2 GLN 51 1HB GLN 51 -1.432 -10.031 -8.602
312 HB3 GLN 51 2HB GLN 51 -2.754 -9.156 -7.852
313 HG2 GLN 51 1HG GLN 51 -2.092 -7.183 -8.674
314 HG3 GLN 51 2HG GLN 51 -0.418 -7.393 -8.212
315 HE21 GLN 51 1HE2 GLN 51 0.822 -9.034 -9.474
316 HE22 GLN 51 2HE2 GLN 51 0.644 -9.074 -11.236
317 H CYS 52 H CYS 52 0.239 -10.698 -5.020
318 HA CYS 52 HA CYS 52 2.944 -10.645 -6.170
319 HB2 CYS 52 1HB CYS 52 3.316 -11.638 -3.827
320 HB3 CYS 52 2HB CYS 52 3.019 -9.914 -3.947
Start of MODEL 16
1 H1 ASN 1 H ASN 1 -9.175 7.188 -4.862
2 HA ASN 1 HA ASN 1 -7.229 6.345 -6.890
3 HB2 ASN 1 1HB ASN 1 -6.610 8.732 -7.124
4 HB3 ASN 1 2HB ASN 1 -8.280 8.419 -7.596
5 HD21 ASN 1 1HD2 ASN 1 -6.425 10.679 -5.963
6 HD22 ASN 1 2HD2 ASN 1 -7.537 11.153 -4.688
7 HA PRO 2 HA PRO 2 -4.779 5.643 -3.402
8 HB2 PRO 2 1HB PRO 2 -2.292 5.212 -4.582
9 HB3 PRO 2 2HB PRO 2 -3.662 4.068 -4.505
10 HG2 PRO 2 1HG PRO 2 -2.874 5.808 -6.780
11 HG3 PRO 2 2HG PRO 2 -3.433 4.103 -6.785
12 HD2 PRO 2 1HD PRO 2 -5.106 6.176 -7.386
13 HD3 PRO 2 2HD PRO 2 -5.661 4.705 -6.538
14 H GLU 3 H GLU 3 -4.409 8.571 -5.086
15 HA GLU 3 HA GLU 3 -2.210 9.599 -3.419
16 HB2 GLU 3 1HB GLU 3 -4.078 10.791 -5.499
17 HB3 GLU 3 2HB GLU 3 -2.933 11.777 -4.578
18 HG2 GLU 3 1HG GLU 3 -1.032 10.663 -5.491
19 HG3 GLU 3 2HG GLU 3 -2.010 9.347 -6.126
20 H ASP 4 H ASP 4 -5.623 9.090 -3.112
21 HA ASP 4 HA ASP 4 -6.087 11.370 -1.311
22 HB2 ASP 4 1HB ASP 4 -7.619 9.576 -2.962
23 HB3 ASP 4 2HB ASP 4 -8.216 9.410 -1.364
24 H TRP 5 H TRP 5 -4.916 8.188 -1.056
25 HA TRP 5 HA TRP 5 -5.985 7.773 1.703
26 HB2 TRP 5 1HB TRP 5 -4.998 5.770 -0.284
27 HB3 TRP 5 2HB TRP 5 -5.753 5.443 1.279
28 HD1 TRP 5 HD TRP 5 -8.270 7.312 1.106
29 HE1 TRP 5 1HE TRP 5 -10.193 6.701 -0.402
30 HE3 TRP 5 3HE TRP 5 -5.710 4.377 -2.069
31 HZ2 TRP 5 2HZ TRP 5 -10.568 4.978 -2.774
32 HZ3 TRP 5 3HZ TRP 5 -6.839 3.231 -4.027
33 HH2 TRP 5 HH TRP 5 -9.299 3.485 -4.319
34 H PHE 6 H PHE 6 -3.282 8.814 0.195
35 HA PHE 6 HA PHE 6 -1.141 7.156 1.048
36 HB2 PHE 6 1HB PHE 6 -1.047 8.770 -0.789
37 HB3 PHE 6 2HB PHE 6 -1.295 10.103 0.326
38 HD1 PHE 6 2HD PHE 6 1.041 7.250 -0.370
39 HD2 PHE 6 1HD PHE 6 0.627 11.247 1.175
40 HE1 PHE 6 2HE PHE 6 3.510 7.425 -0.192
41 HE2 PHE 6 1HE PHE 6 3.103 11.429 1.337
42 HZ PHE 6 HZ PHE 6 4.539 9.514 0.627
43 H THR 7 H THR 7 -0.511 6.764 3.216
44 HA THR 7 HA THR 7 -0.498 9.121 5.029
45 HB THR 7 HB THR 7 -1.060 7.595 6.884
46 HG1 THR 7 1HG THR 7 -0.749 5.655 5.214
47 HG21 THR 7 3HG2 THR 7 -3.164 7.714 4.679
48 HG22 THR 7 1HG2 THR 7 -3.457 7.399 6.381
49 HG23 THR 7 2HG2 THR 7 -2.832 8.988 5.874
50 HA PRO 8 HA PRO 8 3.808 7.605 4.649
51 HB2 PRO 8 1HB PRO 8 5.071 9.973 5.148
52 HB3 PRO 8 2HB PRO 8 4.382 9.534 3.555
53 HG2 PRO 8 1HG PRO 8 3.129 11.237 5.725
54 HG3 PRO 8 2HG PRO 8 3.197 11.568 3.964
55 HD2 PRO 8 1HD PRO 8 1.012 10.530 5.138
56 HD3 PRO 8 2HD PRO 8 1.497 10.054 3.486
57 H ASP 9 H ASP 9 2.044 9.102 7.232
58 HA ASP 9 HA ASP 9 3.555 8.783 9.522
59 HB2 ASP 9 1HB ASP 9 0.668 8.489 8.740
60 HB3 ASP 9 2HB ASP 9 1.144 7.714 10.249
61 H THR 10 H THR 10 1.946 6.239 7.601
62 HA THR 10 HA THR 10 3.330 4.212 9.264
63 HB THR 10 HB THR 10 0.938 4.306 9.614
64 HG1 THR 10 1HG THR 10 1.716 2.318 9.830
65 HG21 THR 10 3HG2 THR 10 0.116 5.196 7.545
66 HG22 THR 10 1HG2 THR 10 0.656 3.760 6.647
67 HG23 THR 10 2HG2 THR 10 -0.661 3.647 7.831
68 H CYS 11 H CYS 11 3.323 5.645 6.153
69 HA CYS 11 HA CYS 11 4.288 3.174 4.835
70 HB2 CYS 11 1HB CYS 11 2.461 4.818 3.904
71 HB3 CYS 11 2HB CYS 11 3.815 5.828 3.483
72 H ALA 12 H ALA 12 6.405 2.942 4.172
73 HA ALA 12 HA ALA 12 8.390 4.751 5.205
74 HB1 ALA 12 1HB ALA 12 9.943 3.014 4.367
75 HB2 ALA 12 2HB ALA 12 8.624 2.287 5.287
76 HB3 ALA 12 3HB ALA 12 8.613 2.218 3.504
77 H TYR 13 H TYR 13 6.578 5.301 2.560
78 HA TYR 13 HA TYR 13 8.841 5.944 0.739
79 HB2 TYR 13 1HB TYR 13 6.088 4.858 0.133
80 HB3 TYR 13 2HB TYR 13 7.199 5.463 -1.092
81 HD1 TYR 13 1HD TYR 13 9.495 4.468 -1.280
82 HD2 TYR 13 2HD TYR 13 6.317 2.567 0.893
83 HE1 TYR 13 1HE TYR 13 10.655 2.271 -1.521
84 HE2 TYR 13 2HE TYR 13 7.449 0.397 0.687
85 HH TYR 13 HH TYR 13 10.593 0.024 -1.068
86 H GLY 14 H GLY 14 8.493 7.702 -0.740
87 HA2 GLY 14 1HA GLY 14 6.909 9.905 0.448
88 HA3 GLY 14 2HA GLY 14 8.381 10.041 -0.506
89 H ASP 15 H ASP 15 6.136 7.747 -1.900
90 HA ASP 15 HA ASP 15 4.764 9.828 -3.475
91 HB2 ASP 15 1HB ASP 15 6.909 8.190 -4.552
92 HB3 ASP 15 2HB ASP 15 5.362 7.660 -5.219
93 H SER 16 H SER 16 2.665 9.256 -3.773
94 HA SER 16 HA SER 16 1.577 7.004 -2.484
95 HB2 SER 16 1HB SER 16 0.207 8.518 -4.734
96 HB3 SER 16 2HB SER 16 -0.514 7.789 -3.281
97 HG SER 16 HG SER 16 -0.228 10.139 -3.169
98 H ASN 17 H ASN 17 2.631 7.519 -5.758
99 HA ASN 17 HA ASN 17 1.493 5.216 -7.130
100 HB2 ASN 17 1HB ASN 17 4.042 6.797 -7.801
101 HB3 ASN 17 2HB ASN 17 3.053 5.814 -8.875
102 HD21 ASN 17 1HD2 ASN 17 3.443 9.036 -7.406
103 HD22 ASN 17 2HD2 ASN 17 2.005 9.698 -8.148
104 H THR 18 H THR 18 4.850 5.965 -5.990
105 HA THR 18 HA THR 18 5.818 3.469 -6.371
106 HB THR 18 HB THR 18 6.672 5.326 -4.126
107 HG1 THR 18 1HG THR 18 7.833 6.406 -5.802
108 HG21 THR 18 3HG2 THR 18 8.738 4.372 -4.270
109 HG22 THR 18 1HG2 THR 18 7.864 2.986 -4.933
110 HG23 THR 18 2HG2 THR 18 8.640 4.125 -6.033
111 H ALA 19 H ALA 19 4.541 4.825 -3.267
112 HA ALA 19 HA ALA 19 4.763 2.683 -1.612
113 HB1 ALA 19 1HB ALA 19 2.513 4.734 -1.792
114 HB2 ALA 19 2HB ALA 19 2.761 3.626 -0.431
115 HB3 ALA 19 3HB ALA 19 4.003 4.837 -0.826
116 H TRP 20 H TRP 20 1.793 3.402 -3.532
117 HA TRP 20 HA TRP 20 0.324 1.086 -2.962
118 HB2 TRP 20 1HB TRP 20 -0.569 3.043 -4.085
119 HB3 TRP 20 2HB TRP 20 0.516 2.823 -5.445
120 HD1 TRP 20 HD TRP 20 -0.044 0.810 -7.155
121 HE1 TRP 20 1HE TRP 20 -2.333 -0.070 -7.910
122 HE3 TRP 20 3HE TRP 20 -2.739 2.059 -3.074
123 HZ2 TRP 20 2HZ TRP 20 -5.054 -0.070 -6.918
124 HZ3 TRP 20 3HZ TRP 20 -5.207 1.658 -2.967
125 HH2 TRP 20 HH TRP 20 -6.372 0.629 -4.939
126 H THR 21 H THR 21 2.698 1.640 -5.648
127 HA THR 21 HA THR 21 2.198 -0.892 -6.815
128 HB THR 21 HB THR 21 4.835 0.546 -7.218
129 HG1 THR 21 1HG THR 21 3.192 2.195 -7.297
130 HG21 THR 21 3HG2 THR 21 4.227 -0.059 -9.596
131 HG22 THR 21 1HG2 THR 21 4.347 -1.484 -8.519
132 HG23 THR 21 2HG2 THR 21 2.757 -0.804 -8.986
133 H THR 22 H THR 22 4.729 0.169 -4.439
134 HA THR 22 HA THR 22 6.010 -2.357 -4.267
135 HB THR 22 HB THR 22 5.646 -0.048 -2.354
136 HG1 THR 22 1HG THR 22 7.805 -1.180 -3.820
137 HG21 THR 22 3HG2 THR 22 7.359 -2.519 -1.919
138 HG22 THR 22 1HG2 THR 22 7.402 -1.061 -0.943
139 HG23 THR 22 2HG2 THR 22 5.946 -2.052 -0.933
140 H CYS 23 H CYS 23 3.137 -1.035 -2.474
141 HA CYS 23 HA CYS 23 2.770 -3.405 -0.958
142 HB2 CYS 23 1HB CYS 23 0.755 -1.286 -1.773
143 HB3 CYS 23 2HB CYS 23 0.520 -2.520 -0.546
144 H THR 24 H THR 24 1.790 -2.748 -4.338
145 HA THR 24 HA THR 24 0.086 -5.124 -4.240
146 HB THR 24 HB THR 24 -0.567 -4.501 -6.506
147 HG1 THR 24 1HG THR 24 0.104 -2.709 -7.442
148 HG21 THR 24 3HG2 THR 24 -0.803 -2.164 -4.562
149 HG22 THR 24 1HG2 THR 24 -1.803 -2.445 -5.994
150 HG23 THR 24 2HG2 THR 24 -1.873 -3.570 -4.635
151 H THR 25 H THR 25 3.402 -4.732 -4.701
152 HA THR 25 HA THR 25 3.491 -6.996 -6.630
153 HB THR 25 HB THR 25 5.711 -6.110 -7.288
154 HG1 THR 25 1HG THR 25 4.979 -3.744 -5.972
155 HG21 THR 25 3HG2 THR 25 3.409 -4.128 -7.654
156 HG22 THR 25 1HG2 THR 25 4.924 -4.133 -8.566
157 HG23 THR 25 2HG2 THR 25 3.821 -5.519 -8.678
158 HA PRO 26 HA PRO 26 5.215 -9.404 -3.476
159 HB2 PRO 26 1HB PRO 26 6.962 -11.116 -4.743
160 HB3 PRO 26 2HB PRO 26 5.194 -11.234 -4.863
161 HG2 PRO 26 1HG PRO 26 7.105 -9.989 -6.830
162 HG3 PRO 26 2HG PRO 26 5.673 -11.026 -7.141
163 HD2 PRO 26 1HD PRO 26 5.620 -8.292 -7.366
164 HD3 PRO 26 2HD PRO 26 4.196 -9.237 -6.861
165 H GLY 27 H GLY 27 6.589 -8.817 -1.905
166 HA2 GLY 27 1HA GLY 27 9.336 -8.129 -2.238
167 HA3 GLY 27 2HA GLY 27 8.319 -6.696 -2.183
168 H GLN 28 H GLN 28 9.795 -6.525 -0.146
169 HA GLN 28 HA GLN 28 9.509 -8.096 2.132
170 HB2 GLN 28 1HB GLN 28 10.207 -6.109 3.389
171 HB3 GLN 28 2HB GLN 28 11.211 -6.371 1.978
172 HG2 GLN 28 1HG GLN 28 8.920 -4.467 1.585
173 HG3 GLN 28 2HG GLN 28 10.115 -3.965 2.740
174 HE21 GLN 28 1HE2 GLN 28 9.361 -4.177 -0.595
175 HE22 GLN 28 2HE2 GLN 28 10.946 -3.674 -1.200
176 H THR 29 H THR 29 7.287 -5.787 0.848
177 HA THR 29 HA THR 29 5.148 -6.241 2.840
178 HB THR 29 HB THR 29 4.965 -3.757 3.136
179 HG1 THR 29 1HG THR 29 6.079 -2.891 1.486
180 HG21 THR 29 3HG2 THR 29 6.647 -3.402 4.749
181 HG22 THR 29 1HG2 THR 29 6.190 -5.113 4.836
182 HG23 THR 29 2HG2 THR 29 7.715 -4.619 4.040
183 H CYS 30 H CYS 30 4.524 -7.446 0.881
184 HA CYS 30 HA CYS 30 3.186 -5.746 -1.135
185 HB2 CYS 30 1HB CYS 30 4.281 -7.957 -1.861
186 HB3 CYS 30 2HB CYS 30 3.086 -8.775 -0.871
187 H TYR 31 H TYR 31 0.904 -7.367 -1.046
188 HA TYR 31 HA TYR 31 -1.012 -6.083 -0.318
189 HB2 TYR 31 1HB TYR 31 -1.140 -8.434 -0.998
190 HB3 TYR 31 2HB TYR 31 -0.720 -8.970 0.597
191 HD1 TYR 31 1HD TYR 31 -2.385 -8.445 2.556
192 HD2 TYR 31 2HD TYR 31 -3.463 -8.446 -1.630
193 HE1 TYR 31 1HE TYR 31 -4.689 -8.921 3.160
194 HE2 TYR 31 2HE TYR 31 -5.800 -8.831 -1.007
195 HH TYR 31 HH TYR 31 -6.830 -9.619 2.315
196 H THR 32 H THR 32 0.583 -7.616 2.425
197 HA THR 32 HA THR 32 -1.124 -6.610 4.542
198 HB THR 32 HB THR 32 1.900 -7.030 4.553
199 HG1 THR 32 1HG THR 32 -0.216 -8.888 5.019
200 HG21 THR 32 3HG2 THR 32 -0.242 -6.745 6.654
201 HG22 THR 32 1HG2 THR 32 1.319 -7.588 7.005
202 HG23 THR 32 2HG2 THR 32 1.318 -5.891 6.493
203 H CYS 33 H CYS 33 1.661 -5.264 2.876
204 HA CYS 33 HA CYS 33 2.251 -2.830 3.965
205 HB2 CYS 33 1HB CYS 33 3.294 -4.004 2.118
206 HB3 CYS 33 2HB CYS 33 1.950 -3.719 1.073
207 H CYS 34 H CYS 34 -0.545 -3.607 1.850
208 HA CYS 34 HA CYS 34 -1.448 -1.102 1.084
209 HB2 CYS 34 1HB CYS 34 -2.925 -3.527 1.945
210 HB3 CYS 34 2HB CYS 34 -3.642 -2.159 1.118
211 H SER 35 H SER 35 -1.935 -2.838 4.117
212 HA SER 35 HA SER 35 -3.577 -0.853 5.487
213 HB2 SER 35 1HB SER 35 -3.656 -3.314 5.946
214 HB3 SER 35 2HB SER 35 -1.989 -3.261 6.506
215 HG SER 35 HG SER 35 -2.518 -2.348 8.286
216 H SER 36 H SER 36 -0.125 -1.876 5.522
217 HA SER 36 HA SER 36 0.576 0.109 7.556
218 HB2 SER 36 1HB SER 36 2.899 -1.198 6.849
219 HB3 SER 36 2HB SER 36 1.812 -1.603 8.168
220 HG SER 36 HG SER 36 0.780 -3.093 6.892
221 H CYS 37 H CYS 37 -0.433 1.188 5.163
222 HA CYS 37 HA CYS 37 1.709 3.037 4.630
223 HB2 CYS 37 1HB CYS 37 0.922 1.062 2.556
224 HB3 CYS 37 2HB CYS 37 0.993 2.723 2.001
225 H PHE 38 H PHE 38 -1.750 2.076 4.049
226 HA PHE 38 HA PHE 38 -2.391 4.925 3.465
227 HB2 PHE 38 1HB PHE 38 -3.402 2.361 2.210
228 HB3 PHE 38 2HB PHE 38 -4.296 3.851 2.164
229 HD1 PHE 38 1HD PHE 38 -0.738 4.631 1.737
230 HD2 PHE 38 2HD PHE 38 -4.271 3.221 -0.288
231 HE1 PHE 38 1HE PHE 38 0.274 5.191 -0.397
232 HE2 PHE 38 2HE PHE 38 -3.333 4.010 -2.394
233 HZ PHE 38 HZ PHE 38 -1.025 4.962 -2.498
234 H ASP 39 H ASP 39 -4.545 5.541 4.008
235 HA ASP 39 HA ASP 39 -5.609 4.499 6.508
236 HB2 ASP 39 1HB ASP 39 -7.150 5.898 4.301
237 HB3 ASP 39 2HB ASP 39 -7.699 5.657 5.934
238 H VAL 40 H VAL 40 -7.592 3.369 6.672
239 HA VAL 40 HA VAL 40 -7.990 0.992 5.617
240 HB VAL 40 HB VAL 40 -9.053 1.702 7.568
241 HG11 VAL 40 1HG1 VAL 40 -10.806 3.370 7.776
242 HG12 VAL 40 2HG1 VAL 40 -9.366 4.127 7.136
243 HG13 VAL 40 3HG1 VAL 40 -10.727 3.748 6.051
244 HG21 VAL 40 3HG2 VAL 40 -11.341 0.983 7.338
245 HG22 VAL 40 1HG2 VAL 40 -11.329 1.352 5.595
246 HG23 VAL 40 2HG2 VAL 40 -10.321 0.028 6.235
247 H VAL 41 H VAL 41 -9.490 3.923 4.154
248 HA VAL 41 HA VAL 41 -11.113 2.527 2.304
249 HB VAL 41 HB VAL 41 -9.888 5.299 1.906
250 HG11 VAL 41 1HG1 VAL 41 -12.073 5.709 0.715
251 HG12 VAL 41 2HG1 VAL 41 -11.118 4.448 -0.054
252 HG13 VAL 41 3HG1 VAL 41 -12.486 3.982 0.949
253 HG21 VAL 41 3HG2 VAL 41 -11.968 6.146 3.059
254 HG22 VAL 41 1HG2 VAL 41 -12.291 4.479 3.602
255 HG23 VAL 41 2HG2 VAL 41 -10.835 5.350 4.129
256 H GLY 42 H GLY 42 -7.708 3.350 2.245
257 HA2 GLY 42 1HA GLY 42 -7.403 2.596 -0.599
258 HA3 GLY 42 2HA GLY 42 -6.251 3.485 0.407
259 H GLU 43 H GLU 43 -6.475 1.614 2.737
260 HA GLU 43 HA GLU 43 -4.853 -0.577 2.181
261 HB2 GLU 43 1HB GLU 43 -5.515 -0.067 4.479
262 HB3 GLU 43 2HB GLU 43 -7.204 -0.402 4.087
263 HG2 GLU 43 1HG GLU 43 -6.558 -2.798 3.542
264 HG3 GLU 43 2HG GLU 43 -4.945 -2.440 4.116
265 H GLN 44 H GLN 44 -8.547 -0.608 2.108
266 HA GLN 44 HA GLN 44 -8.678 -3.265 1.337
267 HB2 GLN 44 1HB GLN 44 -10.426 -1.714 2.421
268 HB3 GLN 44 2HB GLN 44 -10.654 -0.979 0.833
269 HG2 GLN 44 1HG GLN 44 -12.371 -2.550 0.901
270 HG3 GLN 44 2HG GLN 44 -11.092 -3.404 0.030
271 HE21 GLN 44 1HE2 GLN 44 -13.217 -3.499 2.748
272 HE22 GLN 44 2HE2 GLN 44 -12.505 -4.858 3.584
273 H ALA 45 H ALA 45 -8.671 -0.228 -0.542
274 HA ALA 45 HA ALA 45 -9.229 -1.504 -3.014
275 HB1 ALA 45 1HB ALA 45 -7.884 1.195 -2.462
276 HB2 ALA 45 2HB ALA 45 -8.588 0.693 -4.018
277 HB3 ALA 45 3HB ALA 45 -9.635 0.927 -2.607
278 H CYS 46 H CYS 46 -6.162 -0.690 -1.359
279 HA CYS 46 HA CYS 46 -4.453 -1.487 -3.552
280 HB2 CYS 46 1HB CYS 46 -3.609 -0.016 -1.853
281 HB3 CYS 46 2HB CYS 46 -4.093 -1.082 -0.567
282 H GLN 47 H GLN 47 -5.415 -3.181 -0.483
283 HA GLN 47 HA GLN 47 -4.283 -5.607 -1.063
284 HB2 GLN 47 1HB GLN 47 -6.876 -5.097 0.450
285 HB3 GLN 47 2HB GLN 47 -6.081 -6.619 0.381
286 HG2 GLN 47 1HG GLN 47 -3.937 -5.487 1.131
287 HG3 GLN 47 2HG GLN 47 -4.941 -4.082 1.512
288 HE21 GLN 47 1HE2 GLN 47 -3.163 -5.705 3.353
289 HE22 GLN 47 2HE2 GLN 47 -4.266 -6.102 4.620
290 H MET 48 H MET 48 -7.545 -4.604 -2.220
291 HA MET 48 HA MET 48 -7.910 -7.096 -3.597
292 HB2 MET 48 1HB MET 48 -9.862 -6.215 -4.510
293 HB3 MET 48 2HB MET 48 -9.715 -5.545 -2.884
294 HG2 MET 48 1HG MET 48 -10.033 -3.530 -3.656
295 HG3 MET 48 2HG MET 48 -8.529 -3.644 -4.555
296 HE1 MET 48 3HE MET 48 -12.710 -4.518 -6.353
297 HE2 MET 48 1HE MET 48 -11.978 -5.550 -5.107
298 HE3 MET 48 2HE MET 48 -12.455 -3.890 -4.710
299 H SER 49 H SER 49 -6.147 -4.217 -4.501
300 HA SER 49 HA SER 49 -5.770 -5.025 -7.291
301 HB2 SER 49 1HB SER 49 -5.911 -2.630 -6.464
302 HB3 SER 49 2HB SER 49 -4.317 -2.860 -5.737
303 HG SER 49 HG SER 49 -3.551 -3.355 -7.876
304 H ALA 50 H ALA 50 -4.365 -5.894 -4.240
305 HA ALA 50 HA ALA 50 -1.627 -5.941 -5.180
306 HB1 ALA 50 1HB ALA 50 -1.168 -6.595 -2.791
307 HB2 ALA 50 2HB ALA 50 -2.065 -5.075 -2.945
308 HB3 ALA 50 3HB ALA 50 -2.920 -6.548 -2.499
309 H GLN 51 H GLN 51 -0.813 -7.590 -6.297
310 HA GLN 51 HA GLN 51 -1.698 -10.351 -5.676
311 HB2 GLN 51 1HB GLN 51 -1.615 -9.152 -8.468
312 HB3 GLN 51 2HB GLN 51 -1.960 -10.829 -8.018
313 HG2 GLN 51 1HG GLN 51 -3.914 -9.745 -6.594
314 HG3 GLN 51 2HG GLN 51 -3.665 -8.346 -7.629
315 HE21 GLN 51 1HE2 GLN 51 -5.230 -8.375 -9.273
316 HE22 GLN 51 2HE2 GLN 51 -5.753 -9.846 -10.088
317 H CYS 52 H CYS 52 0.179 -10.812 -4.706
318 HA CYS 52 HA CYS 52 2.789 -10.486 -6.006
319 HB2 CYS 52 1HB CYS 52 3.278 -11.969 -3.868
320 HB3 CYS 52 2HB CYS 52 3.173 -10.220 -3.771
Start of MODEL 17
1 H1 ASN 1 H ASN 1 -9.206 6.373 -3.899
2 HA ASN 1 HA ASN 1 -7.909 6.369 -6.022
3 HB2 ASN 1 1HB ASN 1 -6.904 8.575 -6.690
4 HB3 ASN 1 2HB ASN 1 -8.652 8.482 -6.937
5 HD21 ASN 1 1HD2 ASN 1 -6.273 10.627 -5.643
6 HD22 ASN 1 2HD2 ASN 1 -7.265 11.318 -4.388
7 HA PRO 2 HA PRO 2 -4.917 5.736 -2.939
8 HB2 PRO 2 1HB PRO 2 -2.676 4.937 -4.363
9 HB3 PRO 2 2HB PRO 2 -4.213 4.032 -4.244
10 HG2 PRO 2 1HG PRO 2 -3.397 5.931 -6.426
11 HG3 PRO 2 2HG PRO 2 -3.959 4.230 -6.598
12 HD2 PRO 2 1HD PRO 2 -5.687 6.311 -6.894
13 HD3 PRO 2 2HD PRO 2 -6.188 4.812 -6.059
14 H GLU 3 H GLU 3 -4.705 8.601 -4.758
15 HA GLU 3 HA GLU 3 -2.327 9.491 -3.215
16 HB2 GLU 3 1HB GLU 3 -2.761 9.852 -5.877
17 HB3 GLU 3 2HB GLU 3 -3.563 11.292 -5.246
18 HG2 GLU 3 1HG GLU 3 -1.336 11.492 -3.781
19 HG3 GLU 3 2HG GLU 3 -0.674 10.415 -5.000
20 H ASP 4 H ASP 4 -5.506 9.112 -2.671
21 HA ASP 4 HA ASP 4 -5.834 11.585 -1.017
22 HB2 ASP 4 1HB ASP 4 -7.684 9.911 -2.596
23 HB3 ASP 4 2HB ASP 4 -8.222 10.110 -0.978
24 H TRP 5 H TRP 5 -4.959 8.308 -0.950
25 HA TRP 5 HA TRP 5 -5.985 7.831 1.820
26 HB2 TRP 5 1HB TRP 5 -5.305 5.847 -0.310
27 HB3 TRP 5 2HB TRP 5 -5.927 5.502 1.303
28 HD1 TRP 5 HD TRP 5 -8.277 7.687 1.365
29 HE1 TRP 5 1HE TRP 5 -10.402 7.236 0.005
30 HE3 TRP 5 3HE TRP 5 -6.342 4.493 -2.001
31 HZ2 TRP 5 2HZ TRP 5 -11.180 5.586 -2.250
32 HZ3 TRP 5 3HZ TRP 5 -7.758 3.465 -3.830
33 HH2 TRP 5 HH TRP 5 -10.212 3.970 -3.896
34 H PHE 6 H PHE 6 -3.285 8.931 0.393
35 HA PHE 6 HA PHE 6 -1.215 6.986 1.016
36 HB2 PHE 6 1HB PHE 6 -1.060 8.430 -0.883
37 HB3 PHE 6 2HB PHE 6 -1.268 9.861 0.109
38 HD1 PHE 6 2HD PHE 6 1.058 7.012 -0.506
39 HD2 PHE 6 1HD PHE 6 0.584 10.995 1.058
40 HE1 PHE 6 2HE PHE 6 3.526 7.213 -0.263
41 HE2 PHE 6 1HE PHE 6 3.037 11.183 1.319
42 HZ PHE 6 HZ PHE 6 4.505 9.298 0.636
43 H THR 7 H THR 7 -0.735 6.621 3.267
44 HA THR 7 HA THR 7 -0.497 9.063 4.941
45 HB THR 7 HB THR 7 -2.082 7.873 5.976
46 HG1 THR 7 1HG THR 7 -1.211 7.526 7.862
47 HG21 THR 7 3HG2 THR 7 -2.011 5.522 6.660
48 HG22 THR 7 1HG2 THR 7 -2.076 5.712 4.910
49 HG23 THR 7 2HG2 THR 7 -0.537 5.289 5.692
50 HA PRO 8 HA PRO 8 3.885 7.917 4.335
51 HB2 PRO 8 1HB PRO 8 4.953 10.369 4.831
52 HB3 PRO 8 2HB PRO 8 4.194 9.963 3.264
53 HG2 PRO 8 1HG PRO 8 2.964 11.455 5.594
54 HG3 PRO 8 2HG PRO 8 2.898 11.873 3.854
55 HD2 PRO 8 1HD PRO 8 0.885 10.564 5.140
56 HD3 PRO 8 2HD PRO 8 1.250 10.291 3.417
57 H ASP 9 H ASP 9 1.937 9.140 7.003
58 HA ASP 9 HA ASP 9 3.990 9.015 9.026
59 HB2 ASP 9 1HB ASP 9 0.962 9.069 9.013
60 HB3 ASP 9 2HB ASP 9 1.845 8.716 10.475
61 H THR 10 H THR 10 2.055 6.516 7.342
62 HA THR 10 HA THR 10 3.840 4.701 8.842
63 HB THR 10 HB THR 10 1.672 4.563 9.890
64 HG1 THR 10 1HG THR 10 2.959 2.718 9.709
65 HG21 THR 10 3HG2 THR 10 -0.252 3.502 8.682
66 HG22 THR 10 1HG2 THR 10 0.165 5.153 8.163
67 HG23 THR 10 2HG2 THR 10 0.632 3.750 7.169
68 H CYS 11 H CYS 11 4.526 5.919 6.436
69 HA CYS 11 HA CYS 11 4.965 3.441 4.956
70 HB2 CYS 11 1HB CYS 11 2.969 4.832 3.955
71 HB3 CYS 11 2HB CYS 11 4.194 5.916 3.401
72 H ALA 12 H ALA 12 7.131 3.316 4.469
73 HA ALA 12 HA ALA 12 8.894 5.551 5.095
74 HB1 ALA 12 1HB ALA 12 9.459 2.760 4.001
75 HB2 ALA 12 2HB ALA 12 10.653 3.900 4.637
76 HB3 ALA 12 3HB ALA 12 9.430 3.217 5.727
77 H TYR 13 H TYR 13 6.955 5.487 2.595
78 HA TYR 13 HA TYR 13 8.983 6.098 0.533
79 HB2 TYR 13 1HB TYR 13 6.241 4.854 0.182
80 HB3 TYR 13 2HB TYR 13 7.307 5.302 -1.134
81 HD1 TYR 13 2HD TYR 13 9.953 4.221 -0.171
82 HD2 TYR 13 1HD TYR 13 6.046 2.521 0.427
83 HE1 TYR 13 2HE TYR 13 10.982 2.028 0.164
84 HE2 TYR 13 1HE TYR 13 7.049 0.277 0.668
85 HH TYR 13 HH TYR 13 10.579 -0.221 0.909
86 H GLY 14 H GLY 14 8.621 7.997 -0.600
87 HA2 GLY 14 1HA GLY 14 6.727 9.841 0.682
88 HA3 GLY 14 2HA GLY 14 8.107 10.243 -0.343
89 H ASP 15 H ASP 15 6.505 7.799 -1.986
90 HA ASP 15 HA ASP 15 4.820 9.739 -3.455
91 HB2 ASP 15 1HB ASP 15 6.369 7.406 -4.606
92 HB3 ASP 15 2HB ASP 15 5.255 8.410 -5.509
93 H SER 16 H SER 16 2.678 9.153 -3.610
94 HA SER 16 HA SER 16 1.570 6.836 -2.530
95 HB2 SER 16 1HB SER 16 0.136 8.604 -2.893
96 HB3 SER 16 2HB SER 16 0.689 8.822 -4.588
97 HG SER 16 HG SER 16 -1.304 7.276 -3.562
98 H ASN 17 H ASN 17 2.820 7.324 -5.907
99 HA ASN 17 HA ASN 17 1.878 4.843 -6.932
100 HB2 ASN 17 1HB ASN 17 4.045 6.823 -7.671
101 HB3 ASN 17 2HB ASN 17 4.191 5.187 -8.290
102 HD21 ASN 17 1HD2 ASN 17 4.091 6.958 -10.130
103 HD22 ASN 17 2HD2 ASN 17 2.559 7.056 -10.964
104 H THR 18 H THR 18 5.105 5.829 -5.615
105 HA THR 18 HA THR 18 6.054 3.257 -5.939
106 HB THR 18 HB THR 18 7.159 5.459 -4.164
107 HG1 THR 18 1HG THR 18 8.241 5.396 -6.617
108 HG21 THR 18 3HG2 THR 18 8.414 3.522 -3.789
109 HG22 THR 18 1HG2 THR 18 8.460 3.059 -5.501
110 HG23 THR 18 2HG2 THR 18 9.373 4.490 -4.907
111 H ALA 19 H ALA 19 4.400 4.733 -3.178
112 HA ALA 19 HA ALA 19 4.856 2.618 -1.291
113 HB1 ALA 19 1HB ALA 19 2.753 3.549 -0.278
114 HB2 ALA 19 2HB ALA 19 4.009 4.774 -0.555
115 HB3 ALA 19 3HB ALA 19 2.631 4.674 -1.647
116 H TRP 20 H TRP 20 1.945 3.367 -3.263
117 HA TRP 20 HA TRP 20 0.486 1.088 -2.825
118 HB2 TRP 20 1HB TRP 20 -0.319 3.116 -3.916
119 HB3 TRP 20 2HB TRP 20 0.709 2.809 -5.312
120 HD1 TRP 20 HD TRP 20 0.062 0.772 -6.876
121 HE1 TRP 20 1HE TRP 20 -2.106 -0.411 -7.375
122 HE3 TRP 20 3HE TRP 20 -2.616 2.335 -2.814
123 HZ2 TRP 20 2HZ TRP 20 -4.873 -0.245 -6.416
124 HZ3 TRP 20 3HZ TRP 20 -5.029 1.810 -2.636
125 HH2 TRP 20 HH TRP 20 -6.187 0.585 -4.482
126 H THR 21 H THR 21 2.815 1.562 -5.553
127 HA THR 21 HA THR 21 2.309 -0.959 -6.696
128 HB THR 21 HB THR 21 4.865 0.623 -7.029
129 HG1 THR 21 1HG THR 21 3.357 2.088 -7.332
130 HG21 THR 21 3HG2 THR 21 4.703 -0.220 -9.352
131 HG22 THR 21 1HG2 THR 21 4.766 -1.568 -8.208
132 HG23 THR 21 2HG2 THR 21 3.214 -1.100 -8.941
133 H THR 22 H THR 22 4.781 0.002 -4.192
134 HA THR 22 HA THR 22 5.998 -2.587 -4.140
135 HB THR 22 HB THR 22 5.889 -0.348 -2.125
136 HG1 THR 22 1HG THR 22 7.868 0.033 -3.027
137 HG21 THR 22 3HG2 THR 22 7.849 -1.506 -1.089
138 HG22 THR 22 1HG2 THR 22 6.349 -2.433 -0.879
139 HG23 THR 22 2HG2 THR 22 7.531 -2.927 -2.111
140 H CYS 23 H CYS 23 3.153 -1.152 -2.416
141 HA CYS 23 HA CYS 23 2.561 -3.545 -0.907
142 HB2 CYS 23 1HB CYS 23 0.558 -1.491 -1.821
143 HB3 CYS 23 2HB CYS 23 0.490 -2.540 -0.432
144 H THR 24 H THR 24 2.132 -2.948 -4.342
145 HA THR 24 HA THR 24 0.174 -5.166 -4.363
146 HB THR 24 HB THR 24 -0.613 -4.236 -6.506
147 HG1 THR 24 1HG THR 24 0.024 -2.223 -7.124
148 HG21 THR 24 3HG2 THR 24 -0.737 -2.141 -4.296
149 HG22 THR 24 1HG2 THR 24 -1.869 -2.367 -5.638
150 HG23 THR 24 2HG2 THR 24 -1.751 -3.586 -4.367
151 H THR 25 H THR 25 3.350 -5.112 -4.567
152 HA THR 25 HA THR 25 3.411 -7.106 -6.760
153 HB THR 25 HB THR 25 5.681 -6.227 -7.304
154 HG1 THR 25 1HG THR 25 4.893 -3.926 -5.871
155 HG21 THR 25 3HG2 THR 25 4.984 -4.257 -8.585
156 HG22 THR 25 1HG2 THR 25 3.766 -5.535 -8.691
157 HG23 THR 25 2HG2 THR 25 3.480 -4.127 -7.655
158 HA PRO 26 HA PRO 26 5.103 -9.563 -3.543
159 HB2 PRO 26 1HB PRO 26 6.862 -11.274 -4.776
160 HB3 PRO 26 2HB PRO 26 5.087 -11.398 -4.918
161 HG2 PRO 26 1HG PRO 26 7.033 -10.154 -6.869
162 HG3 PRO 26 2HG PRO 26 5.616 -11.200 -7.203
163 HD2 PRO 26 1HD PRO 26 5.553 -8.464 -7.434
164 HD3 PRO 26 2HD PRO 26 4.124 -9.413 -6.948
165 H GLY 27 H GLY 27 6.242 -8.508 -2.091
166 HA2 GLY 27 1HA GLY 27 9.134 -8.263 -2.264
167 HA3 GLY 27 2HA GLY 27 8.251 -6.722 -2.218
168 H GLN 28 H GLN 28 9.574 -6.679 -0.085
169 HA GLN 28 HA GLN 28 9.200 -8.423 2.014
170 HB2 GLN 28 1HB GLN 28 9.848 -6.589 3.524
171 HB3 GLN 28 2HB GLN 28 10.922 -6.822 2.163
172 HG2 GLN 28 1HG GLN 28 8.786 -4.638 2.212
173 HG3 GLN 28 2HG GLN 28 10.387 -4.433 2.896
174 HE21 GLN 28 1HE2 GLN 28 8.587 -4.082 -0.007
175 HE22 GLN 28 2HE2 GLN 28 9.947 -3.915 -1.089
176 H THR 29 H THR 29 6.861 -6.066 0.922
177 HA THR 29 HA THR 29 4.833 -6.908 2.826
178 HB THR 29 HB THR 29 4.372 -4.574 3.515
179 HG1 THR 29 1HG THR 29 5.703 -3.673 1.808
180 HG21 THR 29 3HG2 THR 29 5.646 -6.067 5.058
181 HG22 THR 29 1HG2 THR 29 7.150 -5.339 4.444
182 HG23 THR 29 2HG2 THR 29 5.957 -4.335 5.284
183 H CYS 30 H CYS 30 3.839 -7.638 0.864
184 HA CYS 30 HA CYS 30 3.217 -5.690 -1.267
185 HB2 CYS 30 1HB CYS 30 3.816 -8.014 -1.911
186 HB3 CYS 30 2HB CYS 30 2.459 -8.618 -0.993
187 H TYR 31 H TYR 31 0.623 -7.507 -0.967
188 HA TYR 31 HA TYR 31 -1.458 -6.235 -0.120
189 HB2 TYR 31 1HB TYR 31 -1.301 -8.661 -0.551
190 HB3 TYR 31 2HB TYR 31 -0.595 -8.919 1.032
191 HD1 TYR 31 2HD TYR 31 -1.996 -8.460 3.134
192 HD2 TYR 31 1HD TYR 31 -3.670 -8.627 -0.844
193 HE1 TYR 31 2HE TYR 31 -4.197 -8.998 4.091
194 HE2 TYR 31 1HE TYR 31 -5.867 -9.101 0.089
195 HH TYR 31 HH TYR 31 -7.068 -9.624 1.998
196 H THR 32 H THR 32 0.798 -7.392 2.477
197 HA THR 32 HA THR 32 -0.754 -6.248 4.537
198 HB THR 32 HB THR 32 2.212 -6.635 4.887
199 HG1 THR 32 1HG THR 32 2.171 -8.628 4.288
200 HG21 THR 32 3HG2 THR 32 -0.341 -7.512 6.323
201 HG22 THR 32 1HG2 THR 32 1.344 -7.818 6.899
202 HG23 THR 32 2HG2 THR 32 0.704 -6.165 6.793
203 H CYS 33 H CYS 33 1.708 -4.732 2.514
204 HA CYS 33 HA CYS 33 2.091 -2.271 4.034
205 HB2 CYS 33 1HB CYS 33 3.759 -2.907 2.523
206 HB3 CYS 33 2HB CYS 33 2.650 -3.284 1.242
207 H CYS 34 H CYS 34 -0.369 -3.482 1.725
208 HA CYS 34 HA CYS 34 -1.740 -1.162 1.106
209 HB2 CYS 34 1HB CYS 34 -2.973 -3.693 2.011
210 HB3 CYS 34 2HB CYS 34 -3.756 -2.389 1.182
211 H SER 35 H SER 35 -1.371 -2.771 4.243
212 HA SER 35 HA SER 35 -3.535 -1.290 5.568
213 HB2 SER 35 1HB SER 35 -3.094 -3.815 5.685
214 HB3 SER 35 2HB SER 35 -1.702 -3.437 6.702
215 HG SER 35 HG SER 35 -4.420 -2.685 7.192
216 H SER 36 H SER 36 0.042 -1.442 5.588
217 HA SER 36 HA SER 36 0.083 1.041 7.222
218 HB2 SER 36 1HB SER 36 1.784 -1.379 7.576
219 HB3 SER 36 2HB SER 36 2.620 0.175 7.541
220 HG SER 36 HG SER 36 1.360 0.912 9.185
221 H CYS 37 H CYS 37 -0.350 1.926 5.253
222 HA CYS 37 HA CYS 37 1.576 3.484 4.348
223 HB2 CYS 37 1HB CYS 37 1.220 1.196 2.419
224 HB3 CYS 37 2HB CYS 37 1.421 2.821 1.803
225 H PHE 38 H PHE 38 -1.620 1.960 3.910
226 HA PHE 38 HA PHE 38 -2.635 4.540 2.927
227 HB2 PHE 38 1HB PHE 38 -3.424 1.815 1.845
228 HB3 PHE 38 2HB PHE 38 -4.233 3.334 1.492
229 HD1 PHE 38 1HD PHE 38 -3.133 5.103 0.158
230 HD2 PHE 38 2HD PHE 38 -1.183 1.334 0.903
231 HE1 PHE 38 1HE PHE 38 -1.370 5.688 -1.483
232 HE2 PHE 38 2HE PHE 38 0.577 1.940 -0.733
233 HZ PHE 38 HZ PHE 38 0.468 4.134 -1.927
234 H ASP 39 H ASP 39 -4.567 5.211 3.813
235 HA ASP 39 HA ASP 39 -5.513 4.112 6.269
236 HB2 ASP 39 1HB ASP 39 -7.221 5.569 4.217
237 HB3 ASP 39 2HB ASP 39 -7.609 5.340 5.868
238 H VAL 40 H VAL 40 -7.579 3.094 6.657
239 HA VAL 40 HA VAL 40 -8.154 0.731 5.621
240 HB VAL 40 HB VAL 40 -9.054 1.623 7.642
241 HG11 VAL 40 1HG1 VAL 40 -9.513 3.990 6.957
242 HG12 VAL 40 2HG1 VAL 40 -10.946 3.426 6.067
243 HG13 VAL 40 3HG1 VAL 40 -10.835 3.230 7.831
244 HG21 VAL 40 3HG2 VAL 40 -11.379 0.896 7.513
245 HG22 VAL 40 1HG2 VAL 40 -11.306 0.948 5.736
246 HG23 VAL 40 2HG2 VAL 40 -10.282 -0.201 6.630
247 H VAL 41 H VAL 41 -9.379 3.760 4.160
248 HA VAL 41 HA VAL 41 -11.180 2.500 2.309
249 HB VAL 41 HB VAL 41 -9.780 5.188 1.961
250 HG11 VAL 41 1HG1 VAL 41 -11.914 5.769 0.816
251 HG12 VAL 41 2HG1 VAL 41 -11.203 4.324 0.080
252 HG13 VAL 41 3HG1 VAL 41 -12.568 4.163 1.185
253 HG21 VAL 41 3HG2 VAL 41 -12.221 4.619 3.701
254 HG22 VAL 41 1HG2 VAL 41 -10.658 5.287 4.231
255 HG23 VAL 41 2HG2 VAL 41 -11.700 6.228 3.174
256 H GLY 42 H GLY 42 -7.743 3.484 2.136
257 HA2 GLY 42 1HA GLY 42 -7.485 2.641 -0.658
258 HA3 GLY 42 2HA GLY 42 -6.228 3.336 0.379
259 H GLU 43 H GLU 43 -6.856 1.360 2.598
260 HA GLU 43 HA GLU 43 -5.173 -0.742 1.975
261 HB2 GLU 43 1HB GLU 43 -5.856 -0.161 4.298
262 HB3 GLU 43 2HB GLU 43 -7.477 -0.779 3.965
263 HG2 GLU 43 1HG GLU 43 -6.401 -3.033 3.390
264 HG3 GLU 43 2HG GLU 43 -4.886 -2.387 3.982
265 H GLN 44 H GLN 44 -8.853 -0.898 2.010
266 HA GLN 44 HA GLN 44 -8.730 -3.564 1.041
267 HB2 GLN 44 1HB GLN 44 -10.547 -2.433 2.456
268 HB3 GLN 44 2HB GLN 44 -11.150 -1.695 0.966
269 HG2 GLN 44 1HG GLN 44 -11.618 -3.819 0.006
270 HG3 GLN 44 2HG GLN 44 -10.655 -4.688 1.206
271 HE21 GLN 44 1HE2 GLN 44 -11.819 -5.756 2.657
272 HE22 GLN 44 2HE2 GLN 44 -13.367 -5.316 3.337
273 H ALA 45 H ALA 45 -8.607 -0.475 -0.545
274 HA ALA 45 HA ALA 45 -9.340 -1.498 -3.169
275 HB1 ALA 45 1HB ALA 45 -7.746 1.008 -2.400
276 HB2 ALA 45 2HB ALA 45 -8.526 0.683 -3.961
277 HB3 ALA 45 3HB ALA 45 -9.511 0.943 -2.498
278 H CYS 46 H CYS 46 -6.301 -0.850 -1.388
279 HA CYS 46 HA CYS 46 -4.533 -1.626 -3.500
280 HB2 CYS 46 1HB CYS 46 -3.789 -0.177 -1.734
281 HB3 CYS 46 2HB CYS 46 -4.273 -1.303 -0.495
282 H GLN 47 H GLN 47 -5.590 -3.395 -0.521
283 HA GLN 47 HA GLN 47 -4.369 -5.812 -1.077
284 HB2 GLN 47 1HB GLN 47 -6.969 -5.235 0.386
285 HB3 GLN 47 2HB GLN 47 -6.270 -6.832 0.292
286 HG2 GLN 47 1HG GLN 47 -4.087 -5.883 1.188
287 HG3 GLN 47 2HG GLN 47 -4.946 -4.352 1.417
288 HE21 GLN 47 1HE2 GLN 47 -3.547 -5.810 3.588
289 HE22 GLN 47 2HE2 GLN 47 -4.892 -6.022 4.712
290 H MET 48 H MET 48 -7.550 -4.757 -2.432
291 HA MET 48 HA MET 48 -7.819 -7.208 -3.889
292 HB2 MET 48 1HB MET 48 -9.743 -6.519 -4.709
293 HB3 MET 48 2HB MET 48 -9.634 -5.506 -3.270
294 HG2 MET 48 1HG MET 48 -10.507 -4.180 -4.918
295 HG3 MET 48 2HG MET 48 -8.834 -3.670 -4.713
296 HE1 MET 48 3HE MET 48 -11.489 -3.852 -7.194
297 HE2 MET 48 1HE MET 48 -10.322 -2.494 -7.188
298 HE3 MET 48 2HE MET 48 -10.497 -3.531 -8.622
299 H SER 49 H SER 49 -6.312 -4.071 -4.804
300 HA SER 49 HA SER 49 -5.618 -5.000 -7.453
301 HB2 SER 49 1HB SER 49 -4.652 -2.671 -5.752
302 HB3 SER 49 2HB SER 49 -4.160 -2.952 -7.428
303 HG SER 49 HG SER 49 -6.560 -3.031 -7.814
304 H ALA 50 H ALA 50 -4.334 -5.830 -4.404
305 HA ALA 50 HA ALA 50 -1.573 -5.757 -5.153
306 HB1 ALA 50 1HB ALA 50 -2.940 -6.865 -2.652
307 HB2 ALA 50 2HB ALA 50 -1.195 -6.669 -2.854
308 HB3 ALA 50 3HB ALA 50 -2.225 -5.241 -2.796
309 H GLN 51 H GLN 51 -0.463 -7.260 -6.250
310 HA GLN 51 HA GLN 51 -1.432 -10.049 -6.230
311 HB2 GLN 51 1HB GLN 51 -1.047 -10.110 -8.697
312 HB3 GLN 51 2HB GLN 51 -2.526 -9.343 -8.105
313 HG2 GLN 51 1HG GLN 51 -1.634 -7.119 -8.471
314 HG3 GLN 51 2HG GLN 51 -0.038 -7.803 -8.778
315 HE21 GLN 51 1HE2 GLN 51 -3.404 -8.494 -10.064
316 HE22 GLN 51 2HE2 GLN 51 -2.899 -8.423 -11.744
317 H CYS 52 H CYS 52 0.135 -10.496 -4.902
318 HA CYS 52 HA CYS 52 2.931 -10.714 -5.782
319 HB2 CYS 52 1HB CYS 52 2.921 -11.813 -3.412
320 HB3 CYS 52 2HB CYS 52 2.975 -10.057 -3.534
Start of MODEL 18
1 H1 ASN 1 H ASN 1 -9.135 6.917 -3.796
2 HA ASN 1 HA ASN 1 -8.153 6.136 -5.939
3 HB2 ASN 1 1HB ASN 1 -6.897 7.830 -7.270
4 HB3 ASN 1 2HB ASN 1 -8.623 8.208 -7.224
5 HD21 ASN 1 1HD2 ASN 1 -5.441 9.547 -6.520
6 HD22 ASN 1 2HD2 ASN 1 -6.018 10.840 -5.502
7 HA PRO 2 HA PRO 2 -4.778 5.722 -3.270
8 HB2 PRO 2 1HB PRO 2 -2.897 4.481 -4.688
9 HB3 PRO 2 2HB PRO 2 -4.496 3.755 -4.355
10 HG2 PRO 2 1HG PRO 2 -3.655 5.230 -6.868
11 HG3 PRO 2 2HG PRO 2 -4.408 3.598 -6.744
12 HD2 PRO 2 1HD PRO 2 -5.908 5.829 -7.179
13 HD3 PRO 2 2HD PRO 2 -6.499 4.523 -6.103
14 H GLU 3 H GLU 3 -4.673 8.423 -4.956
15 HA GLU 3 HA GLU 3 -1.992 9.095 -3.842
16 HB2 GLU 3 1HB GLU 3 -2.076 9.235 -6.354
17 HB3 GLU 3 2HB GLU 3 -3.337 10.460 -6.204
18 HG2 GLU 3 1HG GLU 3 -1.763 12.004 -5.122
19 HG3 GLU 3 2HG GLU 3 -0.582 10.784 -4.958
20 H ASP 4 H ASP 4 -5.023 8.857 -2.963
21 HA ASP 4 HA ASP 4 -5.126 11.499 -1.628
22 HB2 ASP 4 1HB ASP 4 -7.123 10.188 -3.259
23 HB3 ASP 4 2HB ASP 4 -7.753 10.461 -1.686
24 H TRP 5 H TRP 5 -4.683 8.116 -1.198
25 HA TRP 5 HA TRP 5 -5.955 8.198 1.484
26 HB2 TRP 5 1HB TRP 5 -5.228 5.853 -0.239
27 HB3 TRP 5 2HB TRP 5 -5.948 5.792 1.366
28 HD1 TRP 5 HD TRP 5 -8.152 7.928 1.202
29 HE1 TRP 5 1HE TRP 5 -10.253 7.556 -0.219
30 HE3 TRP 5 3HE TRP 5 -6.255 4.585 -2.073
31 HZ2 TRP 5 2HZ TRP 5 -10.997 6.001 -2.510
32 HZ3 TRP 5 3HZ TRP 5 -7.687 3.563 -3.879
33 HH2 TRP 5 HH TRP 5 -10.081 4.238 -4.074
34 H PHE 6 H PHE 6 -3.199 9.196 0.328
35 HA PHE 6 HA PHE 6 -1.201 7.316 1.010
36 HB2 PHE 6 1HB PHE 6 -1.019 8.939 -0.773
37 HB3 PHE 6 2HB PHE 6 -1.082 10.272 0.357
38 HD1 PHE 6 1HD PHE 6 0.915 7.380 -0.769
39 HD2 PHE 6 2HD PHE 6 0.928 11.022 1.511
40 HE1 PHE 6 1HE PHE 6 3.387 7.259 -0.611
41 HE2 PHE 6 2HE PHE 6 3.406 10.872 1.717
42 HZ PHE 6 HZ PHE 6 4.629 8.960 0.694
43 H THR 7 H THR 7 -0.858 6.739 3.240
44 HA THR 7 HA THR 7 -0.595 9.018 5.139
45 HB THR 7 HB THR 7 -1.296 7.517 6.905
46 HG1 THR 7 1HG THR 7 -1.008 5.581 5.218
47 HG21 THR 7 3HG2 THR 7 -3.364 7.634 4.674
48 HG22 THR 7 1HG2 THR 7 -3.661 7.556 6.417
49 HG23 THR 7 2HG2 THR 7 -2.917 9.008 5.716
50 HA PRO 8 HA PRO 8 3.585 7.207 4.750
51 HB2 PRO 8 1HB PRO 8 5.034 9.451 5.049
52 HB3 PRO 8 2HB PRO 8 4.196 9.057 3.521
53 HG2 PRO 8 1HG PRO 8 3.205 10.872 5.749
54 HG3 PRO 8 2HG PRO 8 3.232 11.203 3.992
55 HD2 PRO 8 1HD PRO 8 1.016 10.324 5.252
56 HD3 PRO 8 2HD PRO 8 1.401 9.831 3.581
57 H ASP 9 H ASP 9 1.892 8.861 7.314
58 HA ASP 9 HA ASP 9 3.704 8.635 9.431
59 HB2 ASP 9 1HB ASP 9 0.697 8.403 9.178
60 HB3 ASP 9 2HB ASP 9 1.494 8.225 10.729
61 H THR 10 H THR 10 2.038 6.096 7.643
62 HA THR 10 HA THR 10 3.185 4.070 9.485
63 HB THR 10 HB THR 10 0.807 4.237 9.697
64 HG1 THR 10 1HG THR 10 0.257 2.194 9.455
65 HG21 THR 10 3HG2 THR 10 -0.722 3.551 7.816
66 HG22 THR 10 1HG2 THR 10 0.043 5.131 7.645
67 HG23 THR 10 2HG2 THR 10 0.656 3.750 6.713
68 H CYS 11 H CYS 11 4.051 5.550 6.735
69 HA CYS 11 HA CYS 11 4.950 3.076 5.400
70 HB2 CYS 11 1HB CYS 11 2.716 4.369 4.500
71 HB3 CYS 11 2HB CYS 11 3.938 5.240 3.625
72 H ALA 12 H ALA 12 7.091 3.252 4.986
73 HA ALA 12 HA ALA 12 8.485 5.650 5.669
74 HB1 ALA 12 1HB ALA 12 9.473 3.212 4.134
75 HB2 ALA 12 2HB ALA 12 10.479 4.434 4.949
76 HB3 ALA 12 3HB ALA 12 9.434 3.376 5.910
77 H TYR 13 H TYR 13 7.216 4.435 2.607
78 HA TYR 13 HA TYR 13 9.059 5.761 0.936
79 HB2 TYR 13 1HB TYR 13 6.239 4.822 0.285
80 HB3 TYR 13 2HB TYR 13 7.489 5.167 -0.898
81 HD1 TYR 13 1HD TYR 13 9.882 3.817 0.362
82 HD2 TYR 13 2HD TYR 13 5.784 2.506 0.138
83 HE1 TYR 13 1HE TYR 13 10.627 1.504 0.608
84 HE2 TYR 13 2HE TYR 13 6.527 0.155 0.359
85 HH TYR 13 HH TYR 13 9.971 -0.670 0.957
86 H GLY 14 H GLY 14 8.880 7.574 -0.412
87 HA2 GLY 14 1HA GLY 14 7.239 9.743 0.733
88 HA3 GLY 14 2HA GLY 14 8.615 9.904 -0.345
89 H ASP 15 H ASP 15 6.565 7.549 -1.743
90 HA ASP 15 HA ASP 15 5.152 9.595 -3.356
91 HB2 ASP 15 1HB ASP 15 7.231 7.593 -4.197
92 HB3 ASP 15 2HB ASP 15 5.812 7.736 -5.237
93 H SER 16 H SER 16 3.046 9.046 -3.915
94 HA SER 16 HA SER 16 1.944 6.778 -2.520
95 HB2 SER 16 1HB SER 16 -0.179 7.622 -3.300
96 HB3 SER 16 2HB SER 16 0.773 9.016 -2.820
97 HG SER 16 HG SER 16 0.958 9.715 -4.693
98 H ASN 17 H ASN 17 2.898 7.412 -5.878
99 HA ASN 17 HA ASN 17 1.668 5.050 -7.002
100 HB2 ASN 17 1HB ASN 17 3.661 7.079 -7.956
101 HB3 ASN 17 2HB ASN 17 3.813 5.449 -8.616
102 HD21 ASN 17 1HD2 ASN 17 3.033 7.839 -10.167
103 HD22 ASN 17 2HD2 ASN 17 1.473 7.414 -10.830
104 H THR 18 H THR 18 5.031 5.786 -5.947
105 HA THR 18 HA THR 18 5.993 3.256 -6.215
106 HB THR 18 HB THR 18 6.696 5.262 -4.045
107 HG1 THR 18 1HG THR 18 8.103 5.165 -6.464
108 HG21 THR 18 3HG2 THR 18 9.001 4.375 -4.241
109 HG22 THR 18 1HG2 THR 18 7.865 3.161 -3.646
110 HG23 THR 18 2HG2 THR 18 8.411 3.108 -5.339
111 H ALA 19 H ALA 19 4.286 4.652 -3.366
112 HA ALA 19 HA ALA 19 4.434 2.447 -1.628
113 HB1 ALA 19 1HB ALA 19 2.373 4.649 -1.962
114 HB2 ALA 19 2HB ALA 19 2.269 3.426 -0.712
115 HB3 ALA 19 3HB ALA 19 3.670 4.524 -0.763
116 H TRP 20 H TRP 20 1.476 3.282 -3.572
117 HA TRP 20 HA TRP 20 0.093 0.915 -3.142
118 HB2 TRP 20 1HB TRP 20 -0.907 2.878 -4.091
119 HB3 TRP 20 2HB TRP 20 0.163 2.848 -5.469
120 HD1 TRP 20 HD TRP 20 -0.319 0.836 -7.342
121 HE1 TRP 20 1HE TRP 20 -2.519 -0.168 -8.075
122 HE3 TRP 20 3HE TRP 20 -2.997 1.691 -3.131
123 HZ2 TRP 20 2HZ TRP 20 -5.273 -0.237 -7.106
124 HZ3 TRP 20 3HZ TRP 20 -5.455 1.215 -3.050
125 HH2 TRP 20 HH TRP 20 -6.578 0.199 -5.049
126 H THR 21 H THR 21 2.343 1.646 -5.894
127 HA THR 21 HA THR 21 2.036 -0.775 -7.245
128 HB THR 21 HB THR 21 4.386 1.151 -7.074
129 HG1 THR 21 1HG THR 21 2.406 1.979 -7.977
130 HG21 THR 21 3HG2 THR 21 5.168 -1.002 -7.993
131 HG22 THR 21 1HG2 THR 21 3.789 -1.011 -9.132
132 HG23 THR 21 2HG2 THR 21 5.041 0.251 -9.249
133 H THR 22 H THR 22 4.531 0.075 -4.714
134 HA THR 22 HA THR 22 5.661 -2.516 -4.551
135 HB THR 22 HB THR 22 5.354 -0.495 -2.301
136 HG1 THR 22 1HG THR 22 6.259 0.518 -3.986
137 HG21 THR 22 3HG2 THR 22 6.168 -2.650 -1.489
138 HG22 THR 22 1HG2 THR 22 7.376 -2.720 -2.781
139 HG23 THR 22 2HG2 THR 22 7.496 -1.485 -1.501
140 H CYS 23 H CYS 23 2.852 -1.145 -2.675
141 HA CYS 23 HA CYS 23 2.472 -3.532 -1.124
142 HB2 CYS 23 1HB CYS 23 0.332 -1.619 -2.044
143 HB3 CYS 23 2HB CYS 23 0.327 -2.642 -0.626
144 H THR 24 H THR 24 1.910 -3.063 -4.471
145 HA THR 24 HA THR 24 -0.002 -5.340 -4.472
146 HB THR 24 HB THR 24 -0.731 -4.543 -6.691
147 HG1 THR 24 1HG THR 24 1.143 -2.539 -6.113
148 HG21 THR 24 3HG2 THR 24 -2.043 -3.792 -4.737
149 HG22 THR 24 1HG2 THR 24 -1.003 -2.381 -4.559
150 HG23 THR 24 2HG2 THR 24 -1.996 -2.564 -6.012
151 H THR 25 H THR 25 3.285 -4.933 -4.731
152 HA THR 25 HA THR 25 3.516 -7.052 -6.785
153 HB THR 25 HB THR 25 5.584 -5.870 -7.562
154 HG1 THR 25 1HG THR 25 6.050 -4.436 -5.891
155 HG21 THR 25 3HG2 THR 25 3.036 -4.212 -7.791
156 HG22 THR 25 1HG2 THR 25 4.459 -4.043 -8.810
157 HG23 THR 25 2HG2 THR 25 3.539 -5.567 -8.850
158 HA PRO 26 HA PRO 26 5.812 -9.102 -3.710
159 HB2 PRO 26 1HB PRO 26 7.912 -10.351 -4.989
160 HB3 PRO 26 2HB PRO 26 6.210 -10.860 -5.101
161 HG2 PRO 26 1HG PRO 26 7.749 -9.108 -7.024
162 HG3 PRO 26 2HG PRO 26 6.712 -10.516 -7.414
163 HD2 PRO 26 1HD PRO 26 5.762 -7.994 -7.620
164 HD3 PRO 26 2HD PRO 26 4.730 -9.286 -6.946
165 H GLY 27 H GLY 27 7.280 -8.550 -2.173
166 HA2 GLY 27 1HA GLY 27 9.617 -6.919 -2.473
167 HA3 GLY 27 2HA GLY 27 8.171 -5.948 -2.133
168 H GLN 28 H GLN 28 9.912 -5.810 -0.149
169 HA GLN 28 HA GLN 28 9.678 -7.835 1.860
170 HB2 GLN 28 1HB GLN 28 10.280 -6.063 3.498
171 HB3 GLN 28 2HB GLN 28 11.398 -6.315 2.184
172 HG2 GLN 28 1HG GLN 28 9.352 -4.051 2.203
173 HG3 GLN 28 2HG GLN 28 10.948 -3.924 2.940
174 HE21 GLN 28 1HE2 GLN 28 9.454 -2.839 0.274
175 HE22 GLN 28 2HE2 GLN 28 10.753 -3.009 -0.893
176 H THR 29 H THR 29 7.325 -5.632 0.703
177 HA THR 29 HA THR 29 5.311 -6.391 2.682
178 HB THR 29 HB THR 29 4.754 -4.030 3.109
179 HG1 THR 29 1HG THR 29 5.968 -3.247 1.284
180 HG21 THR 29 3HG2 THR 29 6.327 -3.491 4.799
181 HG22 THR 29 1HG2 THR 29 6.112 -5.250 4.772
182 HG23 THR 29 2HG2 THR 29 7.576 -4.517 4.075
183 H CYS 30 H CYS 30 4.447 -7.419 0.791
184 HA CYS 30 HA CYS 30 3.585 -5.770 -1.498
185 HB2 CYS 30 1HB CYS 30 4.418 -8.067 -1.930
186 HB3 CYS 30 2HB CYS 30 3.162 -8.723 -0.890
187 H TYR 31 H TYR 31 1.150 -7.742 -1.006
188 HA TYR 31 HA TYR 31 -0.968 -6.417 -0.274
189 HB2 TYR 31 1HB TYR 31 -0.794 -8.862 -0.606
190 HB3 TYR 31 2HB TYR 31 -0.126 -9.038 1.005
191 HD1 TYR 31 2HD TYR 31 -1.512 -8.589 3.018
192 HD2 TYR 31 1HD TYR 31 -3.210 -8.712 -0.938
193 HE1 TYR 31 2HE TYR 31 -3.757 -8.787 3.992
194 HE2 TYR 31 1HE TYR 31 -5.466 -8.889 0.018
195 HH TYR 31 HH TYR 31 -6.727 -8.984 1.969
196 H THR 32 H THR 32 1.307 -7.458 2.367
197 HA THR 32 HA THR 32 -0.348 -6.291 4.393
198 HB THR 32 HB THR 32 2.637 -6.621 4.699
199 HG1 THR 32 1HG THR 32 0.671 -8.680 4.845
200 HG21 THR 32 3HG2 THR 32 1.496 -5.734 6.624
201 HG22 THR 32 1HG2 THR 32 0.223 -6.956 6.516
202 HG23 THR 32 2HG2 THR 32 1.897 -7.425 6.966
203 H CYS 33 H CYS 33 1.873 -4.720 2.221
204 HA CYS 33 HA CYS 33 2.283 -2.272 3.713
205 HB2 CYS 33 1HB CYS 33 3.877 -2.601 2.127
206 HB3 CYS 33 2HB CYS 33 2.788 -3.192 0.918
207 H CYS 34 H CYS 34 -0.336 -3.488 1.528
208 HA CYS 34 HA CYS 34 -1.726 -1.103 1.108
209 HB2 CYS 34 1HB CYS 34 -2.766 -3.791 1.831
210 HB3 CYS 34 2HB CYS 34 -3.728 -2.509 1.154
211 H SER 35 H SER 35 -1.471 -3.103 4.000
212 HA SER 35 HA SER 35 -3.578 -1.754 5.495
213 HB2 SER 35 1HB SER 35 -2.561 -4.272 5.613
214 HB3 SER 35 2HB SER 35 -1.613 -3.526 6.898
215 HG SER 35 HG SER 35 -3.701 -2.852 7.814
216 H SER 36 H SER 36 0.029 -1.968 5.728
217 HA SER 36 HA SER 36 -0.041 0.386 7.545
218 HB2 SER 36 1HB SER 36 1.200 -1.924 8.043
219 HB3 SER 36 2HB SER 36 2.457 -1.214 7.039
220 HG SER 36 HG SER 36 1.953 0.711 8.620
221 H CYS 37 H CYS 37 -0.818 1.291 5.314
222 HA CYS 37 HA CYS 37 1.428 2.898 4.596
223 HB2 CYS 37 1HB CYS 37 1.417 0.928 2.855
224 HB3 CYS 37 2HB CYS 37 0.080 1.801 2.132
225 H PHE 38 H PHE 38 -2.015 2.121 3.818
226 HA PHE 38 HA PHE 38 -2.583 5.013 3.407
227 HB2 PHE 38 1HB PHE 38 -3.654 2.567 1.960
228 HB3 PHE 38 2HB PHE 38 -4.359 4.160 1.869
229 HD1 PHE 38 1HD PHE 38 -0.909 4.926 1.805
230 HD2 PHE 38 2HD PHE 38 -4.006 3.161 -0.624
231 HE1 PHE 38 1HE PHE 38 0.466 5.280 -0.168
232 HE2 PHE 38 2HE PHE 38 -2.682 3.712 -2.636
233 HZ PHE 38 HZ PHE 38 -0.436 4.729 -2.435
234 H ASP 39 H ASP 39 -4.773 5.606 3.914
235 HA ASP 39 HA ASP 39 -5.834 4.599 6.395
236 HB2 ASP 39 1HB ASP 39 -7.414 5.781 4.089
237 HB3 ASP 39 2HB ASP 39 -7.958 5.667 5.742
238 H VAL 40 H VAL 40 -7.955 3.502 6.592
239 HA VAL 40 HA VAL 40 -8.183 1.050 5.534
240 HB VAL 40 HB VAL 40 -9.411 1.936 7.424
241 HG11 VAL 40 1HG1 VAL 40 -11.335 3.278 7.333
242 HG12 VAL 40 2HG1 VAL 40 -10.136 4.147 6.361
243 HG13 VAL 40 3HG1 VAL 40 -11.422 3.243 5.556
244 HG21 VAL 40 3HG2 VAL 40 -11.523 0.765 7.015
245 HG22 VAL 40 1HG2 VAL 40 -11.204 0.784 5.268
246 HG23 VAL 40 2HG2 VAL 40 -10.134 -0.129 6.355
247 H VAL 41 H VAL 41 -9.415 4.022 3.947
248 HA VAL 41 HA VAL 41 -11.059 2.720 2.011
249 HB VAL 41 HB VAL 41 -9.644 5.400 1.670
250 HG11 VAL 41 1HG1 VAL 41 -11.723 5.916 0.407
251 HG12 VAL 41 2HG1 VAL 41 -11.039 4.408 -0.217
252 HG13 VAL 41 3HG1 VAL 41 -12.432 4.362 0.872
253 HG21 VAL 41 3HG2 VAL 41 -12.146 4.849 3.336
254 HG22 VAL 41 1HG2 VAL 41 -10.611 5.557 3.906
255 HG23 VAL 41 2HG2 VAL 41 -11.627 6.451 2.785
256 H GLY 42 H GLY 42 -7.624 3.718 2.078
257 HA2 GLY 42 1HA GLY 42 -7.128 2.825 -0.653
258 HA3 GLY 42 2HA GLY 42 -5.967 3.502 0.491
259 H GLU 43 H GLU 43 -6.595 1.631 2.674
260 HA GLU 43 HA GLU 43 -5.050 -0.626 2.196
261 HB2 GLU 43 1HB GLU 43 -5.692 0.155 4.410
262 HB3 GLU 43 2HB GLU 43 -7.368 -0.269 4.141
263 HG2 GLU 43 1HG GLU 43 -5.290 -2.442 3.923
264 HG3 GLU 43 2HG GLU 43 -5.712 -1.815 5.517
265 H GLN 44 H GLN 44 -8.717 -0.590 2.274
266 HA GLN 44 HA GLN 44 -8.924 -3.265 1.439
267 HB2 GLN 44 1HB GLN 44 -10.702 -1.976 2.593
268 HB3 GLN 44 2HB GLN 44 -10.805 -0.873 1.211
269 HG2 GLN 44 1HG GLN 44 -11.392 -2.860 -0.229
270 HG3 GLN 44 2HG GLN 44 -11.509 -3.831 1.225
271 HE21 GLN 44 1HE2 GLN 44 -13.061 -1.557 -0.862
272 HE22 GLN 44 2HE2 GLN 44 -14.580 -1.487 0.039
273 H ALA 45 H ALA 45 -8.842 -0.158 -0.360
274 HA ALA 45 HA ALA 45 -9.540 -1.268 -2.851
275 HB1 ALA 45 1HB ALA 45 -8.508 0.829 -3.797
276 HB2 ALA 45 2HB ALA 45 -9.574 1.174 -2.418
277 HB3 ALA 45 3HB ALA 45 -7.812 1.184 -2.211
278 H CYS 46 H CYS 46 -6.369 -0.725 -1.309
279 HA CYS 46 HA CYS 46 -4.733 -1.659 -3.459
280 HB2 CYS 46 1HB CYS 46 -3.950 -0.144 -1.732
281 HB3 CYS 46 2HB CYS 46 -4.310 -1.290 -0.472
282 H GLN 47 H GLN 47 -5.658 -3.346 -0.320
283 HA GLN 47 HA GLN 47 -4.588 -5.772 -0.874
284 HB2 GLN 47 1HB GLN 47 -7.354 -5.359 0.300
285 HB3 GLN 47 2HB GLN 47 -6.408 -6.814 0.394
286 HG2 GLN 47 1HG GLN 47 -5.829 -4.231 1.838
287 HG3 GLN 47 2HG GLN 47 -6.375 -5.770 2.473
288 HE21 GLN 47 1HE2 GLN 47 -4.572 -5.449 4.041
289 HE22 GLN 47 2HE2 GLN 47 -2.942 -5.923 3.474
290 H MET 48 H MET 48 -7.626 -4.621 -2.294
291 HA MET 48 HA MET 48 -8.318 -7.066 -3.657
292 HB2 MET 48 1HB MET 48 -9.043 -4.182 -4.281
293 HB3 MET 48 2HB MET 48 -9.789 -5.586 -5.045
294 HG2 MET 48 1HG MET 48 -9.729 -5.435 -2.046
295 HG3 MET 48 2HG MET 48 -10.846 -4.384 -2.912
296 HE1 MET 48 3HE MET 48 -12.717 -5.537 -1.298
297 HE2 MET 48 1HE MET 48 -12.963 -7.298 -1.242
298 HE3 MET 48 2HE MET 48 -11.442 -6.596 -0.650
299 H SER 49 H SER 49 -6.520 -4.095 -4.740
300 HA SER 49 HA SER 49 -5.836 -5.108 -7.320
301 HB2 SER 49 1HB SER 49 -4.876 -2.886 -5.462
302 HB3 SER 49 2HB SER 49 -4.253 -3.110 -7.081
303 HG SER 49 HG SER 49 -6.681 -3.177 -7.600
304 H ALA 50 H ALA 50 -4.576 -5.790 -4.150
305 HA ALA 50 HA ALA 50 -1.858 -6.018 -5.016
306 HB1 ALA 50 1HB ALA 50 -3.157 -6.772 -2.361
307 HB2 ALA 50 2HB ALA 50 -1.413 -6.724 -2.665
308 HB3 ALA 50 3HB ALA 50 -2.351 -5.234 -2.741
309 H GLN 51 H GLN 51 -0.854 -7.684 -5.932
310 HA GLN 51 HA GLN 51 -1.706 -10.438 -5.311
311 HB2 GLN 51 1HB GLN 51 -1.478 -9.313 -8.121
312 HB3 GLN 51 2HB GLN 51 -1.498 -11.033 -7.708
313 HG2 GLN 51 1HG GLN 51 -3.700 -10.652 -6.513
314 HG3 GLN 51 2HG GLN 51 -3.707 -9.011 -7.186
315 HE21 GLN 51 1HE2 GLN 51 -5.247 -8.971 -8.826
316 HE22 GLN 51 2HE2 GLN 51 -5.375 -10.185 -10.062
317 H CYS 52 H CYS 52 0.085 -10.712 -4.052
318 HA CYS 52 HA CYS 52 2.696 -10.894 -5.393
319 HB2 CYS 52 1HB CYS 52 2.947 -12.400 -3.236
320 HB3 CYS 52 2HB CYS 52 3.209 -10.681 -3.181
Start of MODEL 19
1 H1 ASN 1 H ASN 1 -8.938 6.440 -4.720
2 HA ASN 1 HA ASN 1 -7.350 6.482 -6.568
3 HB2 ASN 1 1HB ASN 1 -7.684 9.410 -6.125
4 HB3 ASN 1 2HB ASN 1 -6.021 8.883 -6.385
5 HD21 ASN 1 1HD2 ASN 1 -7.767 10.399 -8.176
6 HD22 ASN 1 2HD2 ASN 1 -7.834 9.471 -9.686
7 HA PRO 2 HA PRO 2 -4.499 5.672 -3.332
8 HB2 PRO 2 1HB PRO 2 -2.197 5.071 -4.718
9 HB3 PRO 2 2HB PRO 2 -3.644 4.021 -4.622
10 HG2 PRO 2 1HG PRO 2 -2.892 5.867 -6.853
11 HG3 PRO 2 2HG PRO 2 -3.484 4.175 -6.934
12 HD2 PRO 2 1HD PRO 2 -5.146 6.323 -7.276
13 HD3 PRO 2 2HD PRO 2 -5.694 4.799 -6.519
14 H GLU 3 H GLU 3 -4.086 8.505 -5.367
15 HA GLU 3 HA GLU 3 -1.868 9.589 -3.829
16 HB2 GLU 3 1HB GLU 3 -4.084 11.014 -5.385
17 HB3 GLU 3 2HB GLU 3 -2.574 11.715 -4.794
18 HG2 GLU 3 1HG GLU 3 -1.984 11.368 -6.964
19 HG3 GLU 3 2HG GLU 3 -1.437 9.847 -6.284
20 H ASP 4 H ASP 4 -5.350 9.361 -3.498
21 HA ASP 4 HA ASP 4 -5.683 11.557 -1.696
22 HB2 ASP 4 1HB ASP 4 -7.237 9.969 -3.387
23 HB3 ASP 4 2HB ASP 4 -7.813 9.504 -1.816
24 H TRP 5 H TRP 5 -4.927 8.189 -1.357
25 HA TRP 5 HA TRP 5 -6.030 8.034 1.376
26 HB2 TRP 5 1HB TRP 5 -5.081 5.843 -0.419
27 HB3 TRP 5 2HB TRP 5 -5.923 5.671 1.120
28 HD1 TRP 5 HD TRP 5 -8.277 7.739 0.731
29 HE1 TRP 5 1HE TRP 5 -10.139 7.282 -0.908
30 HE3 TRP 5 3HE TRP 5 -5.832 4.474 -2.248
31 HZ2 TRP 5 2HZ TRP 5 -10.579 5.521 -3.219
32 HZ3 TRP 5 3HZ TRP 5 -6.972 3.381 -4.222
33 HH2 TRP 5 HH TRP 5 -9.366 3.877 -4.667
34 H PHE 6 H PHE 6 -3.238 8.940 0.112
35 HA PHE 6 HA PHE 6 -1.187 7.302 1.147
36 HB2 PHE 6 1HB PHE 6 -1.133 9.008 -0.712
37 HB3 PHE 6 2HB PHE 6 -1.188 10.282 0.494
38 HD1 PHE 6 2HD PHE 6 0.723 7.344 -0.687
39 HD2 PHE 6 1HD PHE 6 0.864 11.001 1.562
40 HE1 PHE 6 2HE PHE 6 3.194 7.123 -0.515
41 HE2 PHE 6 1HE PHE 6 3.321 10.760 1.803
42 HZ PHE 6 HZ PHE 6 4.468 8.774 0.833
43 H THR 7 H THR 7 -0.449 7.027 3.215
44 HA THR 7 HA THR 7 -0.699 9.232 5.180
45 HB THR 7 HB THR 7 -1.281 7.574 6.936
46 HG1 THR 7 1HG THR 7 -0.861 5.733 5.302
47 HG21 THR 7 3HG2 THR 7 -3.005 9.071 5.872
48 HG22 THR 7 1HG2 THR 7 -3.373 7.761 4.728
49 HG23 THR 7 2HG2 THR 7 -3.650 7.525 6.459
50 HA PRO 8 HA PRO 8 3.591 7.755 4.763
51 HB2 PRO 8 1HB PRO 8 4.874 10.083 5.436
52 HB3 PRO 8 2HB PRO 8 4.150 9.790 3.824
53 HG2 PRO 8 1HG PRO 8 2.892 11.207 6.208
54 HG3 PRO 8 2HG PRO 8 2.997 11.802 4.524
55 HD2 PRO 8 1HD PRO 8 0.776 10.650 5.393
56 HD3 PRO 8 2HD PRO 8 1.391 10.249 3.768
57 H ASP 9 H ASP 9 1.988 9.091 7.698
58 HA ASP 9 HA ASP 9 4.134 8.777 9.499
59 HB2 ASP 9 1HB ASP 9 1.106 8.583 9.724
60 HB3 ASP 9 2HB ASP 9 2.121 8.145 11.070
61 H THR 10 H THR 10 2.084 6.388 7.983
62 HA THR 10 HA THR 10 3.197 4.276 9.718
63 HB THR 10 HB THR 10 0.899 4.401 9.982
64 HG1 THR 10 1HG THR 10 1.780 2.350 8.443
65 HG21 THR 10 3HG2 THR 10 0.247 5.860 8.104
66 HG22 THR 10 1HG2 THR 10 0.424 4.482 6.986
67 HG23 THR 10 2HG2 THR 10 -0.798 4.483 8.278
68 H CYS 11 H CYS 11 4.288 5.623 6.978
69 HA CYS 11 HA CYS 11 5.105 3.059 5.787
70 HB2 CYS 11 1HB CYS 11 2.863 4.249 4.835
71 HB3 CYS 11 2HB CYS 11 4.047 5.164 3.948
72 H ALA 12 H ALA 12 7.251 3.203 5.271
73 HA ALA 12 HA ALA 12 8.728 5.674 5.565
74 HB1 ALA 12 1HB ALA 12 9.562 2.849 4.744
75 HB2 ALA 12 2HB ALA 12 10.655 4.169 5.198
76 HB3 ALA 12 3HB ALA 12 9.544 3.493 6.400
77 H TYR 13 H TYR 13 6.796 5.447 3.259
78 HA TYR 13 HA TYR 13 8.653 5.745 0.985
79 HB2 TYR 13 1HB TYR 13 5.898 4.482 1.068
80 HB3 TYR 13 2HB TYR 13 6.486 5.285 -0.394
81 HD1 TYR 13 1HD TYR 13 8.372 2.980 2.019
82 HD2 TYR 13 2HD TYR 13 6.868 3.735 -1.952
83 HE1 TYR 13 1HE TYR 13 9.757 1.165 1.166
84 HE2 TYR 13 2HE TYR 13 8.278 1.899 -2.821
85 HH TYR 13 HH TYR 13 10.355 -0.099 -0.721
86 H GLY 14 H GLY 14 8.082 7.525 -0.453
87 HA2 GLY 14 1HA GLY 14 6.531 9.639 0.955
88 HA3 GLY 14 2HA GLY 14 7.949 9.878 -0.019
89 H ASP 15 H ASP 15 6.095 7.609 -1.744
90 HA ASP 15 HA ASP 15 4.471 9.684 -3.119
91 HB2 ASP 15 1HB ASP 15 6.496 7.852 -4.422
92 HB3 ASP 15 2HB ASP 15 5.205 8.680 -5.296
93 H SER 16 H SER 16 2.569 9.021 -3.739
94 HA SER 16 HA SER 16 1.491 6.749 -2.594
95 HB2 SER 16 1HB SER 16 -0.430 7.605 -4.312
96 HB3 SER 16 2HB SER 16 -0.071 8.371 -2.762
97 HG SER 16 HG SER 16 0.348 10.082 -3.811
98 H ASN 17 H ASN 17 2.120 7.307 -6.110
99 HA ASN 17 HA ASN 17 1.121 4.664 -6.928
100 HB2 ASN 17 1HB ASN 17 1.629 6.855 -8.347
101 HB3 ASN 17 2HB ASN 17 3.266 6.193 -8.421
102 HD21 ASN 17 1HD2 ASN 17 1.697 3.282 -8.444
103 HD22 ASN 17 2HD2 ASN 17 1.161 3.279 -10.108
104 H THR 18 H THR 18 4.295 5.939 -5.842
105 HA THR 18 HA THR 18 5.689 3.564 -6.424
106 HB THR 18 HB THR 18 6.210 5.681 -4.316
107 HG1 THR 18 1HG THR 18 7.655 6.223 -6.336
108 HG21 THR 18 3HG2 THR 18 7.684 3.834 -3.958
109 HG22 THR 18 1HG2 THR 18 8.074 3.718 -5.693
110 HG23 THR 18 2HG2 THR 18 8.573 5.143 -4.737
111 H ALA 19 H ALA 19 4.125 4.694 -3.367
112 HA ALA 19 HA ALA 19 4.565 2.428 -1.772
113 HB1 ALA 19 1HB ALA 19 3.801 4.494 -0.801
114 HB2 ALA 19 2HB ALA 19 2.336 4.510 -1.813
115 HB3 ALA 19 3HB ALA 19 2.527 3.281 -0.557
116 H TRP 20 H TRP 20 1.532 3.219 -3.587
117 HA TRP 20 HA TRP 20 0.107 0.866 -3.150
118 HB2 TRP 20 1HB TRP 20 -0.783 2.853 -4.210
119 HB3 TRP 20 2HB TRP 20 0.241 2.620 -5.621
120 HD1 TRP 20 HD TRP 20 -0.316 0.404 -7.122
121 HE1 TRP 20 1HE TRP 20 -2.604 -0.616 -7.749
122 HE3 TRP 20 3HE TRP 20 -2.980 2.089 -3.185
123 HZ2 TRP 20 2HZ TRP 20 -5.318 -0.467 -6.749
124 HZ3 TRP 20 3HZ TRP 20 -5.405 1.705 -3.008
125 HH2 TRP 20 HH TRP 20 -6.620 0.505 -4.859
126 H THR 21 H THR 21 2.361 1.512 -5.944
127 HA THR 21 HA THR 21 2.122 -1.039 -7.098
128 HB THR 21 HB THR 21 4.266 1.094 -7.165
129 HG1 THR 21 1HG THR 21 3.177 1.697 -8.968
130 HG21 THR 21 3HG2 THR 21 3.841 -1.240 -9.031
131 HG22 THR 21 1HG2 THR 21 4.844 0.211 -9.360
132 HG23 THR 21 2HG2 THR 21 5.294 -0.898 -8.047
133 H THR 22 H THR 22 4.439 0.149 -4.563
134 HA THR 22 HA THR 22 5.930 -2.247 -4.328
135 HB THR 22 HB THR 22 5.255 -0.162 -2.208
136 HG1 THR 22 1HG THR 22 6.245 0.695 -4.032
137 HG21 THR 22 3HG2 THR 22 7.323 -0.858 -1.126
138 HG22 THR 22 1HG2 THR 22 6.204 -2.228 -1.205
139 HG23 THR 22 2HG2 THR 22 7.567 -2.122 -2.348
140 H CYS 23 H CYS 23 2.942 -1.153 -2.573
141 HA CYS 23 HA CYS 23 2.590 -3.549 -1.076
142 HB2 CYS 23 1HB CYS 23 0.417 -1.699 -2.076
143 HB3 CYS 23 2HB CYS 23 0.383 -2.750 -0.678
144 H THR 24 H THR 24 2.179 -3.213 -4.492
145 HA THR 24 HA THR 24 0.217 -5.453 -4.434
146 HB THR 24 HB THR 24 -0.613 -4.525 -6.580
147 HG1 THR 24 1HG THR 24 0.723 -2.174 -5.798
148 HG21 THR 24 3HG2 THR 24 -0.822 -2.603 -4.213
149 HG22 THR 24 1HG2 THR 24 -1.861 -2.603 -5.645
150 HG23 THR 24 2HG2 THR 24 -1.879 -3.968 -4.536
151 H THR 25 H THR 25 3.443 -5.132 -4.875
152 HA THR 25 HA THR 25 3.539 -7.317 -6.886
153 HB THR 25 HB THR 25 5.469 -6.041 -7.941
154 HG1 THR 25 1HG THR 25 4.691 -3.803 -6.423
155 HG21 THR 25 3HG2 THR 25 4.354 -4.147 -9.023
156 HG22 THR 25 1HG2 THR 25 3.364 -5.607 -9.052
157 HG23 THR 25 2HG2 THR 25 2.979 -4.288 -7.920
158 HA PRO 26 HA PRO 26 6.049 -9.185 -4.084
159 HB2 PRO 26 1HB PRO 26 8.286 -10.279 -5.320
160 HB3 PRO 26 2HB PRO 26 6.618 -10.889 -5.498
161 HG2 PRO 26 1HG PRO 26 8.132 -9.020 -7.327
162 HG3 PRO 26 2HG PRO 26 7.132 -10.437 -7.770
163 HD2 PRO 26 1HD PRO 26 6.173 -7.922 -7.932
164 HD3 PRO 26 2HD PRO 26 5.118 -9.247 -7.370
165 H GLY 27 H GLY 27 7.505 -8.905 -2.452
166 HA2 GLY 27 1HA GLY 27 10.075 -8.037 -2.380
167 HA3 GLY 27 2HA GLY 27 9.174 -6.520 -2.502
168 H GLN 28 H GLN 28 10.272 -6.311 -0.292
169 HA GLN 28 HA GLN 28 9.817 -7.909 1.853
170 HB2 GLN 28 1HB GLN 28 10.402 -6.135 3.297
171 HB3 GLN 28 2HB GLN 28 11.396 -6.047 1.842
172 HG2 GLN 28 1HG GLN 28 9.066 -4.219 2.577
173 HG3 GLN 28 2HG GLN 28 10.776 -3.852 2.707
174 HE21 GLN 28 1HE2 GLN 28 8.069 -3.508 0.667
175 HE22 GLN 28 2HE2 GLN 28 8.939 -3.358 -0.871
176 H THR 29 H THR 29 7.430 -5.748 0.478
177 HA THR 29 HA THR 29 5.398 -6.620 2.369
178 HB THR 29 HB THR 29 4.748 -4.299 2.886
179 HG1 THR 29 1HG THR 29 5.925 -3.395 1.152
180 HG21 THR 29 3HG2 THR 29 6.367 -3.736 4.613
181 HG22 THR 29 1HG2 THR 29 5.958 -5.457 4.629
182 HG23 THR 29 2HG2 THR 29 7.515 -4.899 3.974
183 H CYS 30 H CYS 30 4.525 -7.528 0.462
184 HA CYS 30 HA CYS 30 3.556 -5.754 -1.690
185 HB2 CYS 30 1HB CYS 30 4.338 -8.002 -2.359
186 HB3 CYS 30 2HB CYS 30 3.218 -8.741 -1.230
187 H TYR 31 H TYR 31 1.135 -7.712 -1.181
188 HA TYR 31 HA TYR 31 -0.910 -6.446 -0.322
189 HB2 TYR 31 1HB TYR 31 -0.794 -8.859 -0.753
190 HB3 TYR 31 2HB TYR 31 -0.052 -9.141 0.806
191 HD1 TYR 31 2HD TYR 31 -1.391 -8.760 2.926
192 HD2 TYR 31 1HD TYR 31 -3.209 -8.692 -0.992
193 HE1 TYR 31 2HE TYR 31 -3.560 -9.108 3.949
194 HE2 TYR 31 1HE TYR 31 -5.449 -8.847 0.060
195 HH TYR 31 HH TYR 31 -5.788 -9.474 3.572
196 H THR 32 H THR 32 1.387 -7.538 2.191
197 HA THR 32 HA THR 32 -0.096 -6.520 4.370
198 HB THR 32 HB THR 32 2.872 -6.413 4.658
199 HG1 THR 32 1HG THR 32 1.561 -8.847 3.935
200 HG21 THR 32 3HG2 THR 32 2.256 -7.843 6.600
201 HG22 THR 32 1HG2 THR 32 1.319 -6.336 6.515
202 HG23 THR 32 2HG2 THR 32 0.558 -7.856 5.997
203 H CYS 33 H CYS 33 1.977 -4.774 2.180
204 HA CYS 33 HA CYS 33 2.345 -2.379 3.755
205 HB2 CYS 33 1HB CYS 33 3.924 -2.642 2.226
206 HB3 CYS 33 2HB CYS 33 2.915 -3.309 0.983
207 H CYS 34 H CYS 34 -0.271 -3.573 1.563
208 HA CYS 34 HA CYS 34 -1.662 -1.131 1.187
209 HB2 CYS 34 1HB CYS 34 -2.703 -3.867 1.724
210 HB3 CYS 34 2HB CYS 34 -3.660 -2.527 1.136
211 H SER 35 H SER 35 -1.353 -3.251 4.001
212 HA SER 35 HA SER 35 -3.478 -2.017 5.558
213 HB2 SER 35 1HB SER 35 -1.266 -3.793 6.635
214 HB3 SER 35 2HB SER 35 -2.881 -3.513 7.304
215 HG SER 35 HG SER 35 -3.759 -4.639 5.568
216 H SER 36 H SER 36 0.110 -2.130 5.776
217 HA SER 36 HA SER 36 -0.011 0.223 7.594
218 HB2 SER 36 1HB SER 36 2.220 -1.756 7.093
219 HB3 SER 36 2HB SER 36 2.272 -0.366 8.202
220 HG SER 36 HG SER 36 1.613 -1.951 9.476
221 H CYS 37 H CYS 37 -0.747 1.179 5.378
222 HA CYS 37 HA CYS 37 1.499 2.821 4.807
223 HB2 CYS 37 1HB CYS 37 1.466 0.869 2.990
224 HB3 CYS 37 2HB CYS 37 0.205 1.839 2.275
225 H PHE 38 H PHE 38 -1.991 2.127 4.175
226 HA PHE 38 HA PHE 38 -2.427 4.951 3.341
227 HB2 PHE 38 1HB PHE 38 -3.281 2.290 2.175
228 HB3 PHE 38 2HB PHE 38 -4.301 3.699 2.006
229 HD1 PHE 38 2HD PHE 38 -0.645 4.399 1.800
230 HD2 PHE 38 1HD PHE 38 -4.202 3.357 -0.398
231 HE1 PHE 38 2HE PHE 38 0.442 5.103 -0.239
232 HE2 PHE 38 1HE PHE 38 -3.125 4.165 -2.448
233 HZ PHE 38 HZ PHE 38 -0.797 5.037 -2.413
234 H ASP 39 H ASP 39 -4.621 5.675 3.607
235 HA ASP 39 HA ASP 39 -5.881 5.021 6.114
236 HB2 ASP 39 1HB ASP 39 -7.200 6.133 3.605
237 HB3 ASP 39 2HB ASP 39 -7.940 6.094 5.160
238 H VAL 40 H VAL 40 -7.981 4.113 6.349
239 HA VAL 40 HA VAL 40 -8.455 1.563 5.619
240 HB VAL 40 HB VAL 40 -9.583 2.645 7.385
241 HG11 VAL 40 1HG1 VAL 40 -11.123 4.455 5.478
242 HG12 VAL 40 2HG1 VAL 40 -11.221 4.413 7.239
243 HG13 VAL 40 3HG1 VAL 40 -9.750 4.993 6.463
244 HG21 VAL 40 3HG2 VAL 40 -11.698 2.057 5.295
245 HG22 VAL 40 1HG2 VAL 40 -10.843 0.834 6.259
246 HG23 VAL 40 2HG2 VAL 40 -11.899 2.023 7.058
247 H VAL 41 H VAL 41 -9.748 4.401 3.782
248 HA VAL 41 HA VAL 41 -11.282 2.906 1.965
249 HB VAL 41 HB VAL 41 -9.957 5.614 1.501
250 HG11 VAL 41 1HG1 VAL 41 -11.910 6.090 0.095
251 HG12 VAL 41 2HG1 VAL 41 -11.075 4.652 -0.497
252 HG13 VAL 41 3HG1 VAL 41 -12.579 4.490 0.433
253 HG21 VAL 41 3HG2 VAL 41 -12.504 4.909 3.022
254 HG22 VAL 41 1HG2 VAL 41 -11.098 5.847 3.606
255 HG23 VAL 41 2HG2 VAL 41 -12.169 6.531 2.386
256 H GLY 42 H GLY 42 -7.835 3.800 1.936
257 HA2 GLY 42 1HA GLY 42 -7.488 2.869 -0.832
258 HA3 GLY 42 2HA GLY 42 -6.289 3.664 0.198
259 H GLU 43 H GLU 43 -6.667 1.886 2.505
260 HA GLU 43 HA GLU 43 -4.964 -0.253 2.026
261 HB2 GLU 43 1HB GLU 43 -5.461 0.468 4.269
262 HB3 GLU 43 2HB GLU 43 -7.181 0.110 4.085
263 HG2 GLU 43 1HG GLU 43 -6.700 -2.305 3.863
264 HG3 GLU 43 2HG GLU 43 -4.987 -1.997 3.947
265 H GLN 44 H GLN 44 -8.638 -0.396 2.164
266 HA GLN 44 HA GLN 44 -8.578 -3.143 1.430
267 HB2 GLN 44 1HB GLN 44 -10.367 -2.190 2.751
268 HB3 GLN 44 2HB GLN 44 -10.807 -1.057 1.465
269 HG2 GLN 44 1HG GLN 44 -11.536 -2.770 0.035
270 HG3 GLN 44 2HG GLN 44 -10.755 -4.046 0.980
271 HE21 GLN 44 1HE2 GLN 44 -11.594 -4.101 3.397
272 HE22 GLN 44 2HE2 GLN 44 -13.299 -3.944 3.591
273 H ALA 45 H ALA 45 -8.788 -0.117 -0.433
274 HA ALA 45 HA ALA 45 -9.518 -1.373 -2.901
275 HB1 ALA 45 1HB ALA 45 -8.036 1.260 -2.440
276 HB2 ALA 45 2HB ALA 45 -8.854 0.770 -3.934
277 HB3 ALA 45 3HB ALA 45 -9.803 1.077 -2.468
278 H CYS 46 H CYS 46 -6.429 -0.817 -1.263
279 HA CYS 46 HA CYS 46 -4.752 -1.625 -3.476
280 HB2 CYS 46 1HB CYS 46 -3.997 -0.053 -1.773
281 HB3 CYS 46 2HB CYS 46 -4.325 -1.190 -0.491
282 H GLN 47 H GLN 47 -5.621 -3.278 -0.315
283 HA GLN 47 HA GLN 47 -4.578 -5.708 -0.889
284 HB2 GLN 47 1HB GLN 47 -7.291 -5.293 0.390
285 HB3 GLN 47 2HB GLN 47 -6.351 -6.741 0.457
286 HG2 GLN 47 1HG GLN 47 -5.521 -4.125 1.733
287 HG3 GLN 47 2HG GLN 47 -6.244 -5.513 2.519
288 HE21 GLN 47 1HE2 GLN 47 -4.407 -5.627 3.970
289 HE22 GLN 47 2HE2 GLN 47 -2.839 -6.195 3.393
290 H MET 48 H MET 48 -7.676 -4.597 -2.204
291 HA MET 48 HA MET 48 -8.257 -7.102 -3.517
292 HB2 MET 48 1HB MET 48 -9.997 -5.978 -4.679
293 HB3 MET 48 2HB MET 48 -9.988 -5.420 -2.998
294 HG2 MET 48 1HG MET 48 -9.196 -3.342 -3.524
295 HG3 MET 48 2HG MET 48 -8.575 -3.804 -5.108
296 HE1 MET 48 3HE MET 48 -10.450 -5.060 -6.808
297 HE2 MET 48 1HE MET 48 -11.457 -3.777 -7.498
298 HE3 MET 48 2HE MET 48 -9.708 -3.530 -7.287
299 H SER 49 H SER 49 -6.025 -4.736 -4.244
300 HA SER 49 HA SER 49 -5.746 -5.361 -7.121
301 HB2 SER 49 1HB SER 49 -6.030 -2.960 -5.916
302 HB3 SER 49 2HB SER 49 -4.280 -3.104 -5.804
303 HG SER 49 HG SER 49 -4.170 -3.208 -8.028
304 H ALA 50 H ALA 50 -4.499 -6.298 -4.111
305 HA ALA 50 HA ALA 50 -1.671 -6.101 -4.825
306 HB1 ALA 50 1HB ALA 50 -2.327 -5.292 -2.625
307 HB2 ALA 50 2HB ALA 50 -3.105 -6.834 -2.245
308 HB3 ALA 50 3HB ALA 50 -1.341 -6.753 -2.449
309 H GLN 51 H GLN 51 -0.954 -7.670 -6.117
310 HA GLN 51 HA GLN 51 -1.987 -10.423 -5.733
311 HB2 GLN 51 1HB GLN 51 -1.498 -10.622 -8.176
312 HB3 GLN 51 2HB GLN 51 -2.937 -9.708 -7.719
313 HG2 GLN 51 1HG GLN 51 -2.108 -7.682 -8.439
314 HG3 GLN 51 2HG GLN 51 -0.445 -8.094 -8.054
315 HE21 GLN 51 1HE2 GLN 51 0.639 -9.738 -9.459
316 HE22 GLN 51 2HE2 GLN 51 0.288 -9.657 -11.185
317 H CYS 52 H CYS 52 -0.371 -10.975 -4.343
318 HA CYS 52 HA CYS 52 1.886 -12.091 -5.789
319 HB2 CYS 52 1HB CYS 52 2.131 -10.629 -3.171
320 HB3 CYS 52 2HB CYS 52 3.101 -12.049 -3.515
Start of MODEL 20
1 H1 ASN 1 H ASN 1 -9.818 7.464 -5.095
2 HA ASN 1 HA ASN 1 -7.978 6.071 -5.801
3 HB2 ASN 1 1HB ASN 1 -7.178 7.426 -7.486
4 HB3 ASN 1 2HB ASN 1 -8.582 8.358 -7.012
5 HD21 ASN 1 1HD2 ASN 1 -8.168 10.559 -6.388
6 HD22 ASN 1 2HD2 ASN 1 -6.608 11.156 -5.929
7 HA PRO 2 HA PRO 2 -4.735 5.590 -3.049
8 HB2 PRO 2 1HB PRO 2 -2.378 5.174 -4.473
9 HB3 PRO 2 2HB PRO 2 -3.759 4.052 -4.349
10 HG2 PRO 2 1HG PRO 2 -3.221 6.064 -6.543
11 HG3 PRO 2 2HG PRO 2 -3.582 4.313 -6.708
12 HD2 PRO 2 1HD PRO 2 -5.501 6.176 -6.992
13 HD3 PRO 2 2HD PRO 2 -5.865 4.663 -6.110
14 H GLU 3 H GLU 3 -4.152 8.440 -5.109
15 HA GLU 3 HA GLU 3 -1.942 9.418 -3.523
16 HB2 GLU 3 1HB GLU 3 -2.592 9.876 -5.982
17 HB3 GLU 3 2HB GLU 3 -3.796 10.999 -5.350
18 HG2 GLU 3 1HG GLU 3 -2.022 12.372 -4.377
19 HG3 GLU 3 2HG GLU 3 -0.817 11.139 -4.687
20 H ASP 4 H ASP 4 -5.427 9.484 -3.481
21 HA ASP 4 HA ASP 4 -5.852 11.592 -1.573
22 HB2 ASP 4 1HB ASP 4 -7.363 9.983 -3.345
23 HB3 ASP 4 2HB ASP 4 -7.964 9.537 -1.789
24 H TRP 5 H TRP 5 -4.990 8.221 -1.368
25 HA TRP 5 HA TRP 5 -6.133 7.918 1.349
26 HB2 TRP 5 1HB TRP 5 -5.238 5.861 -0.641
27 HB3 TRP 5 2HB TRP 5 -5.885 5.510 0.962
28 HD1 TRP 5 HD TRP 5 -8.302 7.592 0.964
29 HE1 TRP 5 1HE TRP 5 -10.328 7.216 -0.476
30 HE3 TRP 5 3HE TRP 5 -6.236 4.317 -2.239
31 HZ2 TRP 5 2HZ TRP 5 -10.964 5.683 -2.926
32 HZ3 TRP 5 3HZ TRP 5 -7.531 3.375 -4.206
33 HH2 TRP 5 HH TRP 5 -9.906 4.094 -4.534
34 H PHE 6 H PHE 6 -3.332 8.899 0.102
35 HA PHE 6 HA PHE 6 -1.222 7.295 0.958
36 HB2 PHE 6 1HB PHE 6 -1.214 9.241 -0.611
37 HB3 PHE 6 2HB PHE 6 -1.348 10.330 0.764
38 HD1 PHE 6 2HD PHE 6 0.774 7.452 -0.372
39 HD2 PHE 6 1HD PHE 6 0.713 11.374 1.399
40 HE1 PHE 6 2HE PHE 6 3.249 7.425 -0.243
41 HE2 PHE 6 1HE PHE 6 3.189 11.378 1.452
42 HZ PHE 6 HZ PHE 6 4.467 9.366 0.658
43 H THR 7 H THR 7 -0.529 6.741 3.135
44 HA THR 7 HA THR 7 -0.804 8.889 5.178
45 HB THR 7 HB THR 7 -1.083 7.279 6.912
46 HG1 THR 7 1HG THR 7 -0.135 5.491 5.931
47 HG21 THR 7 3HG2 THR 7 -3.382 6.482 6.370
48 HG22 THR 7 1HG2 THR 7 -3.104 8.201 6.016
49 HG23 THR 7 2HG2 THR 7 -3.159 7.009 4.704
50 HA PRO 8 HA PRO 8 3.606 8.054 4.417
51 HB2 PRO 8 1HB PRO 8 4.559 10.508 5.257
52 HB3 PRO 8 2HB PRO 8 3.916 10.180 3.621
53 HG2 PRO 8 1HG PRO 8 2.497 11.440 5.980
54 HG3 PRO 8 2HG PRO 8 2.449 11.940 4.259
55 HD2 PRO 8 1HD PRO 8 0.493 10.481 5.396
56 HD3 PRO 8 2HD PRO 8 0.953 10.258 3.685
57 H ASP 9 H ASP 9 1.901 9.113 7.299
58 HA ASP 9 HA ASP 9 3.871 8.994 9.275
59 HB2 ASP 9 1HB ASP 9 0.867 8.471 9.334
60 HB3 ASP 9 2HB ASP 9 1.863 8.730 10.766
61 H THR 10 H THR 10 2.658 6.383 7.450
62 HA THR 10 HA THR 10 3.802 4.452 9.387
63 HB THR 10 HB THR 10 2.000 2.882 8.332
64 HG1 THR 10 1HG THR 10 0.178 4.843 8.201
65 HG21 THR 10 3HG2 THR 10 2.072 3.691 10.705
66 HG22 THR 10 1HG2 THR 10 1.062 5.069 10.234
67 HG23 THR 10 2HG2 THR 10 0.450 3.401 10.080
68 H CYS 11 H CYS 11 4.263 5.881 6.361
69 HA CYS 11 HA CYS 11 4.841 3.280 5.029
70 HB2 CYS 11 1HB CYS 11 2.945 4.835 4.255
71 HB3 CYS 11 2HB CYS 11 4.194 5.890 3.679
72 H ALA 12 H ALA 12 6.908 2.894 4.466
73 HA ALA 12 HA ALA 12 8.961 4.953 4.790
74 HB1 ALA 12 1HB ALA 12 9.167 2.686 5.849
75 HB2 ALA 12 2HB ALA 12 9.178 1.963 4.216
76 HB3 ALA 12 3HB ALA 12 10.475 3.083 4.737
77 H TYR 13 H TYR 13 7.141 5.405 2.683
78 HA TYR 13 HA TYR 13 8.987 5.421 0.462
79 HB2 TYR 13 1HB TYR 13 6.037 4.695 0.169
80 HB3 TYR 13 2HB TYR 13 7.091 5.138 -1.168
81 HD1 TYR 13 1HD TYR 13 9.210 3.803 -1.617
82 HD2 TYR 13 2HD TYR 13 6.061 2.400 0.976
83 HE1 TYR 13 1HE TYR 13 10.215 1.581 -1.627
84 HE2 TYR 13 2HE TYR 13 7.070 0.138 0.977
85 HH TYR 13 HH TYR 13 10.218 -0.486 -0.663
86 H GLY 14 H GLY 14 8.979 7.461 -0.481
87 HA2 GLY 14 1HA GLY 14 7.172 9.457 0.738
88 HA3 GLY 14 2HA GLY 14 8.713 9.769 -0.056
89 H ASP 15 H ASP 15 6.115 7.649 -1.380
90 HA ASP 15 HA ASP 15 5.022 9.724 -3.015
91 HB2 ASP 15 1HB ASP 15 6.648 7.489 -4.279
92 HB3 ASP 15 2HB ASP 15 5.326 8.261 -5.154
93 H SER 16 H SER 16 2.944 9.181 -3.587
94 HA SER 16 HA SER 16 1.737 6.995 -2.228
95 HB2 SER 16 1HB SER 16 -0.317 7.856 -3.348
96 HB3 SER 16 2HB SER 16 0.614 9.145 -2.588
97 HG SER 16 HG SER 16 0.509 10.051 -4.458
98 H ASN 17 H ASN 17 2.813 7.378 -5.584
99 HA ASN 17 HA ASN 17 1.576 4.888 -6.512
100 HB2 ASN 17 1HB ASN 17 2.192 6.991 -7.897
101 HB3 ASN 17 2HB ASN 17 3.851 6.377 -7.841
102 HD21 ASN 17 1HD2 ASN 17 3.423 6.439 -10.223
103 HD22 ASN 17 2HD2 ASN 17 2.602 5.111 -11.001
104 H THR 18 H THR 18 4.992 5.890 -5.638
105 HA THR 18 HA THR 18 5.993 3.305 -5.969
106 HB THR 18 HB THR 18 6.975 5.312 -3.906
107 HG1 THR 18 1HG THR 18 7.890 6.399 -5.510
108 HG21 THR 18 3HG2 THR 18 8.133 3.114 -3.851
109 HG22 THR 18 1HG2 THR 18 8.462 3.235 -5.588
110 HG23 THR 18 2HG2 THR 18 9.203 4.386 -4.452
111 H ALA 19 H ALA 19 4.320 4.701 -3.109
112 HA ALA 19 HA ALA 19 4.537 2.435 -1.418
113 HB1 ALA 19 1HB ALA 19 2.314 4.514 -1.638
114 HB2 ALA 19 2HB ALA 19 2.552 3.368 -0.306
115 HB3 ALA 19 3HB ALA 19 3.759 4.626 -0.624
116 H TRP 20 H TRP 20 1.650 3.356 -3.462
117 HA TRP 20 HA TRP 20 0.189 1.038 -3.132
118 HB2 TRP 20 1HB TRP 20 -0.690 3.041 -4.231
119 HB3 TRP 20 2HB TRP 20 0.438 2.854 -5.562
120 HD1 TRP 20 HD TRP 20 -0.060 0.998 -7.349
121 HE1 TRP 20 1HE TRP 20 -2.215 -0.116 -8.138
122 HE3 TRP 20 3HE TRP 20 -2.945 2.115 -3.363
123 HZ2 TRP 20 2HZ TRP 20 -4.917 -0.648 -6.993
124 HZ3 TRP 20 3HZ TRP 20 -5.342 1.403 -3.252
125 HH2 TRP 20 HH TRP 20 -6.300 -0.026 -5.066
126 H THR 21 H THR 21 2.542 1.666 -5.800
127 HA THR 21 HA THR 21 2.314 -0.778 -7.077
128 HB THR 21 HB THR 21 4.672 1.136 -6.911
129 HG1 THR 21 1HG THR 21 3.651 2.157 -8.571
130 HG21 THR 21 3HG2 THR 21 3.796 -0.897 -9.009
131 HG22 THR 21 1HG2 THR 21 5.036 0.347 -9.259
132 HG23 THR 21 2HG2 THR 21 5.295 -0.926 -8.048
133 H THR 22 H THR 22 4.637 0.134 -4.371
134 HA THR 22 HA THR 22 5.801 -2.477 -4.287
135 HB THR 22 HB THR 22 5.447 -0.471 -2.015
136 HG1 THR 22 1HG THR 22 6.627 0.545 -3.474
137 HG21 THR 22 3HG2 THR 22 7.238 -2.913 -2.422
138 HG22 THR 22 1HG2 THR 22 7.491 -1.685 -1.150
139 HG23 THR 22 2HG2 THR 22 6.036 -2.654 -1.152
140 H CYS 23 H CYS 23 2.972 -1.091 -2.510
141 HA CYS 23 HA CYS 23 2.402 -3.473 -1.093
142 HB2 CYS 23 1HB CYS 23 0.373 -1.470 -2.051
143 HB3 CYS 23 2HB CYS 23 0.282 -2.532 -0.664
144 H THR 24 H THR 24 2.096 -3.016 -4.494
145 HA THR 24 HA THR 24 0.099 -5.208 -4.673
146 HB THR 24 HB THR 24 -0.517 -4.187 -6.891
147 HG1 THR 24 1HG THR 24 0.760 -1.912 -5.800
148 HG21 THR 24 3HG2 THR 24 -1.945 -3.808 -4.879
149 HG22 THR 24 1HG2 THR 24 -1.012 -2.353 -4.508
150 HG23 THR 24 2HG2 THR 24 -1.959 -2.445 -6.001
151 H THR 25 H THR 25 3.314 -5.051 -4.656
152 HA THR 25 HA THR 25 3.556 -7.018 -6.827
153 HB THR 25 HB THR 25 5.679 -5.944 -7.579
154 HG1 THR 25 1HG THR 25 4.752 -3.750 -6.059
155 HG21 THR 25 3HG2 THR 25 4.740 -4.117 -8.889
156 HG22 THR 25 1HG2 THR 25 3.590 -5.460 -8.847
157 HG23 THR 25 2HG2 THR 25 3.315 -4.017 -7.853
158 HA PRO 26 HA PRO 26 5.516 -9.195 -3.687
159 HB2 PRO 26 1HB PRO 26 7.434 -10.761 -4.841
160 HB3 PRO 26 2HB PRO 26 5.679 -10.995 -5.098
161 HG2 PRO 26 1HG PRO 26 7.640 -9.521 -6.870
162 HG3 PRO 26 2HG PRO 26 6.399 -10.717 -7.358
163 HD2 PRO 26 1HD PRO 26 5.992 -8.037 -7.560
164 HD3 PRO 26 2HD PRO 26 4.655 -9.120 -7.087
165 H GLY 27 H GLY 27 6.531 -8.050 -2.174
166 HA2 GLY 27 1HA GLY 27 9.414 -8.035 -2.076
167 HA3 GLY 27 2HA GLY 27 8.734 -6.392 -2.098
168 H GLN 28 H GLN 28 9.905 -6.625 0.064
169 HA GLN 28 HA GLN 28 9.365 -7.911 2.275
170 HB2 GLN 28 1HB GLN 28 9.878 -5.815 3.530
171 HB3 GLN 28 2HB GLN 28 10.971 -6.158 2.205
172 HG2 GLN 28 1HG GLN 28 9.565 -4.490 0.790
173 HG3 GLN 28 2HG GLN 28 8.850 -4.008 2.329
174 HE21 GLN 28 1HE2 GLN 28 11.661 -3.782 0.241
175 HE22 GLN 28 2HE2 GLN 28 12.620 -2.788 1.323
176 H THR 29 H THR 29 7.141 -5.366 1.067
177 HA THR 29 HA THR 29 5.009 -6.206 2.899
178 HB THR 29 HB THR 29 4.698 -3.824 3.534
179 HG1 THR 29 1HG THR 29 6.702 -2.526 3.313
180 HG21 THR 29 3HG2 THR 29 5.875 -5.380 5.058
181 HG22 THR 29 1HG2 THR 29 7.431 -4.836 4.383
182 HG23 THR 29 2HG2 THR 29 6.386 -3.694 5.230
183 H CYS 30 H CYS 30 3.958 -7.071 1.169
184 HA CYS 30 HA CYS 30 3.301 -5.448 -1.223
185 HB2 CYS 30 1HB CYS 30 4.255 -7.623 -1.720
186 HB3 CYS 30 2HB CYS 30 3.024 -8.419 -0.759
187 H TYR 31 H TYR 31 0.892 -7.606 -0.921
188 HA TYR 31 HA TYR 31 -1.311 -6.378 -0.295
189 HB2 TYR 31 1HB TYR 31 -1.002 -8.819 -0.570
190 HB3 TYR 31 2HB TYR 31 -0.411 -8.946 1.081
191 HD1 TYR 31 2HD TYR 31 -1.962 -8.464 3.013
192 HD2 TYR 31 1HD TYR 31 -3.348 -8.665 -1.070
193 HE1 TYR 31 2HE TYR 31 -4.254 -8.730 3.825
194 HE2 TYR 31 1HE TYR 31 -5.666 -8.895 -0.265
195 HH TYR 31 HH TYR 31 -6.604 -8.777 3.183
196 H THR 32 H THR 32 0.870 -7.285 2.461
197 HA THR 32 HA THR 32 -0.807 -6.099 4.392
198 HB THR 32 HB THR 32 2.172 -6.570 4.689
199 HG1 THR 32 1HG THR 32 1.712 -8.764 4.857
200 HG21 THR 32 3HG2 THR 32 1.453 -7.280 6.949
201 HG22 THR 32 1HG2 THR 32 0.871 -5.643 6.595
202 HG23 THR 32 2HG2 THR 32 -0.263 -6.998 6.487
203 H CYS 33 H CYS 33 1.757 -4.665 2.417
204 HA CYS 33 HA CYS 33 2.124 -2.157 3.803
205 HB2 CYS 33 1HB CYS 33 3.755 -2.725 2.220
206 HB3 CYS 33 2HB CYS 33 2.601 -3.160 1.008
207 H CYS 34 H CYS 34 -0.330 -3.459 1.524
208 HA CYS 34 HA CYS 34 -1.694 -1.171 0.744
209 HB2 CYS 34 1HB CYS 34 -2.930 -3.686 1.767
210 HB3 CYS 34 2HB CYS 34 -3.749 -2.437 0.892
211 H SER 35 H SER 35 -1.731 -2.772 3.915
212 HA SER 35 HA SER 35 -3.579 -0.807 5.084
213 HB2 SER 35 1HB SER 35 -3.683 -3.132 5.903
214 HB3 SER 35 2HB SER 35 -1.971 -3.080 6.341
215 HG SER 35 HG SER 35 -3.853 -1.195 7.358
216 H SER 36 H SER 36 -0.066 -1.733 5.482
217 HA SER 36 HA SER 36 0.141 0.435 7.413
218 HB2 SER 36 1HB SER 36 2.313 -0.610 7.900
219 HB3 SER 36 2HB SER 36 0.950 -1.700 8.008
220 HG SER 36 HG SER 36 3.056 -1.673 6.195
221 H CYS 37 H CYS 37 -0.393 1.398 4.988
222 HA CYS 37 HA CYS 37 1.605 3.406 4.554
223 HB2 CYS 37 1HB CYS 37 1.122 1.209 2.550
224 HB3 CYS 37 2HB CYS 37 1.318 2.846 1.929
225 H PHE 38 H PHE 38 -1.750 2.274 4.468
226 HA PHE 38 HA PHE 38 -2.609 4.896 3.399
227 HB2 PHE 38 1HB PHE 38 -3.623 2.227 2.388
228 HB3 PHE 38 2HB PHE 38 -4.273 3.797 1.990
229 HD1 PHE 38 1HD PHE 38 -1.337 1.543 1.464
230 HD2 PHE 38 2HD PHE 38 -3.298 5.200 0.307
231 HE1 PHE 38 1HE PHE 38 0.098 1.716 -0.568
232 HE2 PHE 38 2HE PHE 38 -1.878 5.331 -1.712
233 HZ PHE 38 HZ PHE 38 -0.181 3.609 -2.144
234 H ASP 39 H ASP 39 -4.790 5.377 3.826
235 HA ASP 39 HA ASP 39 -5.911 4.473 6.369
236 HB2 ASP 39 1HB ASP 39 -7.460 5.574 4.005
237 HB3 ASP 39 2HB ASP 39 -7.998 5.535 5.669
238 H VAL 40 H VAL 40 -7.990 3.325 6.491
239 HA VAL 40 HA VAL 40 -8.163 0.892 5.386
240 HB VAL 40 HB VAL 40 -9.347 1.645 7.328
241 HG11 VAL 40 1HG1 VAL 40 -10.017 3.929 6.607
242 HG12 VAL 40 2HG1 VAL 40 -11.197 3.231 5.491
243 HG13 VAL 40 3HG1 VAL 40 -11.387 3.002 7.233
244 HG21 VAL 40 3HG2 VAL 40 -11.459 0.505 7.007
245 HG22 VAL 40 1HG2 VAL 40 -11.317 0.670 5.240
246 HG23 VAL 40 2HG2 VAL 40 -10.164 -0.340 6.134
247 H VAL 41 H VAL 41 -9.432 3.881 3.838
248 HA VAL 41 HA VAL 41 -11.038 2.501 1.898
249 HB VAL 41 HB VAL 41 -9.934 5.326 1.678
250 HG11 VAL 41 1HG1 VAL 41 -11.242 4.475 -0.273
251 HG12 VAL 41 2HG1 VAL 41 -12.593 4.070 0.808
252 HG13 VAL 41 3HG1 VAL 41 -12.114 5.766 0.564
253 HG21 VAL 41 3HG2 VAL 41 -10.862 5.232 3.935
254 HG22 VAL 41 1HG2 VAL 41 -11.998 6.067 2.897
255 HG23 VAL 41 2HG2 VAL 41 -12.317 4.389 3.335
256 H GLY 42 H GLY 42 -7.637 3.235 2.124
257 HA2 GLY 42 1HA GLY 42 -7.133 2.556 -0.719
258 HA3 GLY 42 2HA GLY 42 -5.974 3.224 0.437
259 H GLU 43 H GLU 43 -6.566 1.442 2.654
260 HA GLU 43 HA GLU 43 -5.068 -0.830 2.231
261 HB2 GLU 43 1HB GLU 43 -5.800 0.085 4.422
262 HB3 GLU 43 2HB GLU 43 -7.418 -0.544 4.140
263 HG2 GLU 43 1HG GLU 43 -5.185 -2.535 3.977
264 HG3 GLU 43 2HG GLU 43 -5.482 -1.799 5.546
265 H GLN 44 H GLN 44 -8.664 -0.783 2.284
266 HA GLN 44 HA GLN 44 -8.810 -3.502 1.608
267 HB2 GLN 44 1HB GLN 44 -10.499 -1.769 2.736
268 HB3 GLN 44 2HB GLN 44 -11.046 -1.520 1.077
269 HG2 GLN 44 1HG GLN 44 -11.128 -4.236 1.169
270 HG3 GLN 44 2HG GLN 44 -11.274 -3.909 2.896
271 HE21 GLN 44 1HE2 GLN 44 -13.056 -4.361 0.139
272 HE22 GLN 44 2HE2 GLN 44 -14.509 -3.441 0.520
273 H ALA 45 H ALA 45 -8.551 -0.621 -0.337
274 HA ALA 45 HA ALA 45 -9.549 -1.798 -2.782
275 HB1 ALA 45 1HB ALA 45 -7.937 0.773 -2.268
276 HB2 ALA 45 2HB ALA 45 -8.639 0.309 -3.834
277 HB3 ALA 45 3HB ALA 45 -9.696 0.632 -2.447
278 H CYS 46 H CYS 46 -6.316 -0.883 -1.495
279 HA CYS 46 HA CYS 46 -4.816 -1.986 -3.682
280 HB2 CYS 46 1HB CYS 46 -3.828 -0.383 -2.195
281 HB3 CYS 46 2HB CYS 46 -4.222 -1.326 -0.774
282 H GLN 47 H GLN 47 -5.688 -3.438 -0.444
283 HA GLN 47 HA GLN 47 -4.651 -5.952 -1.009
284 HB2 GLN 47 1HB GLN 47 -7.082 -5.180 0.642
285 HB3 GLN 47 2HB GLN 47 -6.467 -6.804 0.574
286 HG2 GLN 47 1HG GLN 47 -4.180 -5.920 1.232
287 HG3 GLN 47 2HG GLN 47 -4.937 -4.346 1.475
288 HE21 GLN 47 1HE2 GLN 47 -3.451 -5.774 3.498
289 HE22 GLN 47 2HE2 GLN 47 -4.602 -6.148 4.765
290 H MET 48 H MET 48 -7.608 -4.636 -2.478
291 HA MET 48 HA MET 48 -8.265 -7.314 -3.537
292 HB2 MET 48 1HB MET 48 -10.307 -6.576 -4.169
293 HB3 MET 48 2HB MET 48 -9.964 -5.835 -2.602
294 HG2 MET 48 1HG MET 48 -11.132 -4.239 -3.814
295 HG3 MET 48 2HG MET 48 -9.460 -3.747 -3.718
296 HE1 MET 48 3HE MET 48 -10.327 -2.062 -7.051
297 HE2 MET 48 1HE MET 48 -11.183 -2.074 -5.489
298 HE3 MET 48 2HE MET 48 -9.402 -1.960 -5.535
299 H SER 49 H SER 49 -6.450 -4.711 -4.446
300 HA SER 49 HA SER 49 -6.320 -5.598 -7.283
301 HB2 SER 49 1HB SER 49 -5.207 -3.086 -6.000
302 HB3 SER 49 2HB SER 49 -5.110 -3.508 -7.713
303 HG SER 49 HG SER 49 -7.452 -3.539 -7.713
304 H ALA 50 H ALA 50 -4.521 -5.879 -4.335
305 HA ALA 50 HA ALA 50 -1.880 -5.954 -5.428
306 HB1 ALA 50 1HB ALA 50 -3.046 -6.893 -2.744
307 HB2 ALA 50 2HB ALA 50 -1.311 -6.769 -3.109
308 HB3 ALA 50 3HB ALA 50 -2.289 -5.313 -3.069
309 H GLN 51 H GLN 51 -0.434 -7.813 -5.494
310 HA GLN 51 HA GLN 51 -1.262 -10.481 -5.533
311 HB2 GLN 51 1HB GLN 51 -0.907 -10.679 -8.031
312 HB3 GLN 51 2HB GLN 51 -2.457 -10.050 -7.463
313 HG2 GLN 51 1HG GLN 51 -1.913 -7.784 -8.042
314 HG3 GLN 51 2HG GLN 51 -0.243 -8.240 -8.267
315 HE21 GLN 51 1HE2 GLN 51 -3.487 -8.312 -9.665
316 HE22 GLN 51 2HE2 GLN 51 -2.916 -8.500 -11.323
317 H CYS 52 H CYS 52 0.634 -11.440 -4.966
318 HA CYS 52 HA CYS 52 3.241 -10.277 -5.736
319 HB2 CYS 52 1HB CYS 52 3.703 -11.629 -3.463
320 HB3 CYS 52 2HB CYS 52 3.444 -9.917 -3.495
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