Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
631109 | 6gw8 RC | 34293 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA ASN 1 HA ASN 1 5.317 3.203 6.182
2 HB2 ASN 1 HB2 ASN 1 6.135 4.749 8.643
3 HB3 ASN 1 HB3 ASN 1 4.465 4.311 8.304
4 HD21 ASN 1 HD21 ASN 1 3.848 2.157 8.394
5 HD22 ASN 1 HD22 ASN 1 4.823 0.953 9.160
6 H GLU 2 H GLU 2 6.972 5.616 5.090
7 HA GLU 2 HA GLU 2 4.586 7.188 4.487
8 HB2 GLU 2 HB2 GLU 2 5.939 9.272 4.629
9 HB3 GLU 2 HB3 GLU 2 5.699 8.486 6.181
10 HG2 GLU 2 HG2 GLU 2 7.934 7.650 6.184
11 HG3 GLU 2 HG3 GLU 2 8.187 8.174 4.520
12 H LEU 3 H LEU 3 4.378 7.537 2.363
13 HA LEU 3 HA LEU 3 6.668 6.825 0.687
14 HB2 LEU 3 HB2 LEU 3 4.448 5.644 0.409
15 HB3 LEU 3 HB3 LEU 3 3.807 7.164 -0.183
16 HG LEU 3 HG LEU 3 5.504 7.109 -2.007
17 HD11 LEU 3 HD11 LEU 3 7.158 5.687 -0.962
18 HD12 LEU 3 HD12 LEU 3 6.611 4.972 -2.478
19 HD13 LEU 3 HD13 LEU 3 6.020 4.341 -0.942
20 HD21 LEU 3 HD21 LEU 3 3.226 6.367 -2.401
21 HD22 LEU 3 HD22 LEU 3 3.642 4.746 -1.842
22 HD23 LEU 3 HD23 LEU 3 4.372 5.387 -3.316
23 H ARG 4 H ARG 4 7.841 8.511 0.183
24 HA ARG 4 HA ARG 4 6.479 10.924 -0.778
25 HB2 ARG 4 HB2 ARG 4 8.663 10.680 1.233
26 HB3 ARG 4 HB3 ARG 4 8.808 11.984 0.066
27 HG2 ARG 4 HG2 ARG 4 7.741 12.923 1.933
28 HG3 ARG 4 HG3 ARG 4 6.463 12.670 0.748
29 HD2 ARG 4 HD2 ARG 4 5.982 10.488 1.926
30 HD3 ARG 4 HD3 ARG 4 7.072 11.038 3.199
31 HE ARG 4 HE ARG 4 4.629 12.495 2.407
32 HH11 ARG 4 HH11 ARG 4 6.887 11.440 4.898
33 HH12 ARG 4 HH12 ARG 4 5.923 12.077 6.184
34 HH21 ARG 4 HH21 ARG 4 3.395 13.330 4.102
35 HH22 ARG 4 HH22 ARG 4 3.924 13.153 5.739
36 H CYS 5 H CYS 5 8.054 12.286 -2.061
37 HA CYS 5 HA CYS 5 8.916 10.743 -4.262
38 HB2 CYS 5 HB2 CYS 5 7.982 13.025 -4.423
39 HB3 CYS 5 HB3 CYS 5 9.430 13.647 -3.637
40 H GLY 6 H GLY 6 10.994 10.457 -5.072
41 HA2 GLY 6 HA2 GLY 6 13.002 10.017 -3.100
42 HA3 GLY 6 HA3 GLY 6 13.152 9.776 -4.834
43 H CYS 7 H CYS 7 12.338 12.519 -5.409
44 HA CYS 7 HA CYS 7 14.876 13.714 -5.501
45 HB2 CYS 7 HB2 CYS 7 12.422 14.191 -6.678
46 HB3 CYS 7 HB3 CYS 7 12.598 15.573 -5.608
47 HA PRO 8 HA PRO 8 14.743 14.910 -1.158
48 HB2 PRO 8 HB2 PRO 8 17.306 15.785 -0.996
49 HB3 PRO 8 HB3 PRO 8 16.883 14.067 -0.981
50 HG2 PRO 8 HG2 PRO 8 17.878 15.756 -3.244
51 HG3 PRO 8 HG3 PRO 8 18.337 14.104 -2.794
52 HD2 PRO 8 HD2 PRO 8 16.596 14.658 -4.807
53 HD3 PRO 8 HD3 PRO 8 16.496 13.177 -3.830
54 H ASP 9 H ASP 9 14.887 16.783 -3.867
55 HA ASP 9 HA ASP 9 15.138 19.291 -2.367
56 HB2 ASP 9 HB2 ASP 9 15.172 18.853 -5.359
57 HB3 ASP 9 HB3 ASP 9 15.483 20.369 -4.523
58 H CYS 10 H CYS 10 12.872 17.214 -3.850
59 HA CYS 10 HA CYS 10 10.922 19.407 -3.941
60 HB2 CYS 10 HB2 CYS 10 11.929 18.394 -6.191
61 HB3 CYS 10 HB3 CYS 10 10.694 17.177 -5.901
62 H HIS 11 H HIS 11 9.112 19.013 -2.835
63 HA HIS 11 HA HIS 11 8.595 16.268 -1.954
64 HB2 HIS 11 HB2 HIS 11 7.541 18.923 -0.959
65 HB3 HIS 11 HB3 HIS 11 6.909 17.375 -0.417
66 HD2 HIS 11 HD2 HIS 11 10.425 19.195 -0.347
67 HE1 HIS 11 HE1 HIS 11 10.056 16.655 3.025
68 HE2 HIS 11 HE2 HIS 11 11.542 18.268 1.789
69 H CYS 12 H CYS 12 7.617 15.333 -3.614
70 HA CYS 12 HA CYS 12 5.336 16.695 -4.851
71 HB2 CYS 12 HB2 CYS 12 6.734 14.259 -5.898
72 HB3 CYS 12 HB3 CYS 12 5.730 15.409 -6.775
73 H LYS 13 H LYS 13 3.490 15.409 -5.394
74 HA LYS 13 HA LYS 13 2.789 13.566 -3.320
75 HB2 LYS 13 HB2 LYS 13 0.617 13.485 -4.868
76 HB3 LYS 13 HB3 LYS 13 0.927 14.804 -3.757
77 HG2 LYS 13 HG2 LYS 13 0.214 15.796 -5.770
78 HG3 LYS 13 HG3 LYS 13 1.953 16.052 -5.689
79 HD2 LYS 13 HD2 LYS 13 1.407 15.426 -7.938
80 HD3 LYS 13 HD3 LYS 13 2.233 14.063 -7.185
81 HE2 LYS 13 HE2 LYS 13 0.347 13.257 -8.457
82 HE3 LYS 13 HE3 LYS 13 0.038 13.021 -6.738
83 HZ1 LYS 13 HZ1 LYS 13 -1.911 13.880 -7.848
84 HZ2 LYS 13 HZ2 LYS 13 -1.054 15.209 -8.428
85 HZ3 LYS 13 HZ3 LYS 13 -1.326 15.042 -6.771
86 H VAL 14 H VAL 14 3.298 11.540 -3.397
87 HA VAL 14 HA VAL 14 3.837 10.286 -5.979
88 HB VAL 14 HB VAL 14 4.416 9.261 -3.193
89 HG11 VAL 14 HG11 VAL 14 5.836 7.619 -4.319
90 HG12 VAL 14 HG12 VAL 14 5.312 8.238 -5.886
91 HG13 VAL 14 HG13 VAL 14 4.151 7.455 -4.813
92 HG21 VAL 14 HG21 VAL 14 5.701 11.251 -3.732
93 HG22 VAL 14 HG22 VAL 14 6.228 10.511 -5.245
94 HG23 VAL 14 HG23 VAL 14 6.737 9.824 -3.702
95 H ASP 15 H ASP 15 2.605 8.759 -6.838
96 HA ASP 15 HA ASP 15 0.131 8.025 -5.505
97 HB2 ASP 15 HB2 ASP 15 0.265 8.670 -7.951
98 HB3 ASP 15 HB3 ASP 15 1.139 7.170 -8.222
99 HA PRO 16 HA PRO 16 2.169 4.390 -3.865
100 HB2 PRO 16 HB2 PRO 16 -0.617 3.517 -3.359
101 HB3 PRO 16 HB3 PRO 16 0.732 3.676 -2.229
102 HG2 PRO 16 HG2 PRO 16 -1.278 5.433 -2.226
103 HG3 PRO 16 HG3 PRO 16 0.394 5.950 -1.941
104 HD2 PRO 16 HD2 PRO 16 -1.273 6.197 -4.413
105 HD3 PRO 16 HD3 PRO 16 -0.123 7.351 -3.701
106 H GLU 17 H GLU 17 -0.315 4.400 -6.298
107 HA GLU 17 HA GLU 17 0.201 1.575 -6.907
108 HB2 GLU 17 HB2 GLU 17 -2.135 2.216 -6.570
109 HB3 GLU 17 HB3 GLU 17 -1.998 3.425 -7.835
110 HG2 GLU 17 HG2 GLU 17 -1.725 1.736 -9.503
111 HG3 GLU 17 HG3 GLU 17 -1.644 0.472 -8.274
112 H ARG 18 H ARG 18 0.847 4.743 -8.007
113 HA ARG 18 HA ARG 18 1.769 3.686 -10.612
114 HB2 ARG 18 HB2 ARG 18 0.628 6.424 -10.035
115 HB3 ARG 18 HB3 ARG 18 1.230 5.872 -11.589
116 HG2 ARG 18 HG2 ARG 18 -0.559 4.444 -11.924
117 HG3 ARG 18 HG3 ARG 18 -0.983 4.415 -10.211
118 HD2 ARG 18 HD2 ARG 18 -1.659 6.756 -10.349
119 HD3 ARG 18 HD3 ARG 18 -1.248 6.776 -12.062
120 HE ARG 18 HE ARG 18 -3.038 5.190 -12.435
121 HH11 ARG 18 HH11 ARG 18 -3.049 6.812 -9.299
122 HH12 ARG 18 HH12 ARG 18 -4.751 6.586 -9.066
123 HH21 ARG 18 HH21 ARG 18 -5.293 4.893 -12.088
124 HH22 ARG 18 HH22 ARG 18 -6.022 5.505 -10.644
125 H VAL 19 H VAL 19 3.160 3.980 -8.109
126 HA VAL 19 HA VAL 19 4.872 6.261 -8.244
127 HB VAL 19 HB VAL 19 4.456 5.381 -6.071
128 HG11 VAL 19 HG11 VAL 19 5.116 3.108 -5.392
129 HG12 VAL 19 HG12 VAL 19 5.529 2.748 -7.069
130 HG13 VAL 19 HG13 VAL 19 3.860 3.113 -6.628
131 HG21 VAL 19 HG21 VAL 19 6.689 6.259 -6.344
132 HG22 VAL 19 HG22 VAL 19 7.273 4.685 -6.886
133 HG23 VAL 19 HG23 VAL 19 6.714 4.896 -5.226
134 H PHE 20 H PHE 20 6.776 6.508 -9.194
135 HA PHE 20 HA PHE 20 7.821 4.382 -10.859
136 HB2 PHE 20 HB2 PHE 20 8.491 7.292 -10.493
137 HB3 PHE 20 HB3 PHE 20 9.580 6.225 -11.363
138 HD1 PHE 20 HD1 PHE 20 6.279 7.763 -11.352
139 HD2 PHE 20 HD2 PHE 20 9.069 5.463 -13.555
140 HE1 PHE 20 HE1 PHE 20 4.940 8.111 -13.389
141 HE2 PHE 20 HE2 PHE 20 7.755 5.805 -15.605
142 HZ PHE 20 HZ PHE 20 5.685 7.133 -15.524
143 H ASN 21 H ASN 21 9.060 2.907 -9.924
144 HA ASN 21 HA ASN 21 10.650 3.629 -7.609
145 HB2 ASN 21 HB2 ASN 21 11.159 1.240 -7.423
146 HB3 ASN 21 HB3 ASN 21 9.425 1.486 -7.574
147 HD21 ASN 21 HD21 ASN 21 12.291 0.295 -9.100
148 HD22 ASN 21 HD22 ASN 21 11.511 -0.558 -10.383
149 H HIS 22 H HIS 22 12.830 3.759 -7.563
150 HA HIS 22 HA HIS 22 14.435 2.912 -9.791
151 HB2 HIS 22 HB2 HIS 22 13.569 5.040 -10.658
152 HB3 HIS 22 HB3 HIS 22 14.128 5.875 -9.219
153 HD2 HIS 22 HD2 HIS 22 16.885 6.415 -9.158
154 HE1 HIS 22 HE1 HIS 22 17.613 5.144 -13.133
155 HE2 HIS 22 HE2 HIS 22 18.501 6.442 -11.165
156 H ASP 23 H ASP 23 16.246 2.160 -8.941
157 HA ASP 23 HA ASP 23 18.035 1.802 -7.595
158 HB2 ASP 23 HB2 ASP 23 18.448 4.262 -8.082
159 HB3 ASP 23 HB3 ASP 23 17.651 4.629 -6.559
160 H GLY 24 H GLY 24 15.172 1.527 -6.703
161 HA2 GLY 24 HA2 GLY 24 14.328 0.376 -4.851
162 HA3 GLY 24 HA3 GLY 24 15.775 0.807 -3.951
163 H GLU 25 H GLU 25 14.743 3.553 -5.400
164 HA GLU 25 HA GLU 25 13.370 4.421 -2.962
165 HB2 GLU 25 HB2 GLU 25 15.501 5.569 -3.756
166 HB3 GLU 25 HB3 GLU 25 14.566 6.140 -5.127
167 HG2 GLU 25 HG2 GLU 25 13.197 7.485 -3.772
168 HG3 GLU 25 HG3 GLU 25 13.781 6.719 -2.296
169 H ALA 26 H ALA 26 11.595 5.939 -3.240
170 HA ALA 26 HA ALA 26 9.878 5.129 -5.482
171 HB1 ALA 26 HB1 ALA 26 8.026 5.888 -4.063
172 HB2 ALA 26 HB2 ALA 26 9.184 6.352 -2.816
173 HB3 ALA 26 HB3 ALA 26 9.004 4.655 -3.268
174 H TYR 27 H TYR 27 8.925 6.646 -6.816
175 HA TYR 27 HA TYR 27 9.565 9.461 -6.295
176 HB2 TYR 27 HB2 TYR 27 10.014 8.000 -8.895
177 HB3 TYR 27 HB3 TYR 27 10.077 9.749 -8.717
178 HD1 TYR 27 HD1 TYR 27 11.773 6.584 -7.989
179 HD2 TYR 27 HD2 TYR 27 11.939 10.812 -7.606
180 HE1 TYR 27 HE1 TYR 27 14.151 6.432 -7.396
181 HE2 TYR 27 HE2 TYR 27 14.322 10.669 -7.033
182 HH TYR 27 HH TYR 27 15.786 8.726 -5.900
183 H CYS 28 H CYS 28 8.182 10.966 -7.220
184 HA CYS 28 HA CYS 28 5.459 10.212 -7.438
185 HB2 CYS 28 HB2 CYS 28 5.114 12.574 -7.983
186 HB3 CYS 28 HB3 CYS 28 6.214 12.401 -6.618
187 H SER 29 H SER 29 7.927 11.176 -9.722
188 HA SER 29 HA SER 29 6.340 10.172 -11.941
189 HB2 SER 29 HB2 SER 29 5.795 12.502 -11.947
190 HB3 SER 29 HB3 SER 29 7.464 12.962 -11.635
191 HG SER 29 HG SER 29 6.269 12.056 -14.018
192 H GLN 30 H GLN 30 7.651 10.028 -13.892
193 HA GLN 30 HA GLN 30 10.080 8.725 -13.499
194 HB2 GLN 30 HB2 GLN 30 10.330 9.158 -16.015
195 HB3 GLN 30 HB3 GLN 30 8.924 8.240 -15.485
196 HG2 GLN 30 HG2 GLN 30 7.481 10.053 -15.804
197 HG3 GLN 30 HG3 GLN 30 8.811 11.203 -15.910
198 HE21 GLN 30 HE21 GLN 30 9.962 11.351 -17.750
199 HE22 GLN 30 HE22 GLN 30 9.418 10.697 -19.265
200 H ALA 31 H ALA 31 9.256 12.073 -14.154
201 HA ALA 31 HA ALA 31 11.628 13.200 -14.937
202 HB1 ALA 31 HB1 ALA 31 10.832 15.274 -13.975
203 HB2 ALA 31 HB2 ALA 31 9.676 14.390 -12.978
204 HB3 ALA 31 HB3 ALA 31 9.500 14.402 -14.732
205 H CYS 32 H CYS 32 10.598 13.065 -11.487
206 HA CYS 32 HA CYS 32 13.151 13.833 -10.524
207 HB2 CYS 32 HB2 CYS 32 10.823 12.493 -9.128
208 HB3 CYS 32 HB3 CYS 32 12.272 13.028 -8.294
209 H ALA 33 H ALA 33 11.744 10.786 -11.339
210 HA ALA 33 HA ALA 33 13.453 9.095 -9.822
211 HB1 ALA 33 HB1 ALA 33 11.909 8.431 -12.329
212 HB2 ALA 33 HB2 ALA 33 11.270 8.367 -10.687
213 HB3 ALA 33 HB3 ALA 33 12.569 7.277 -11.169
214 H GLU 34 H GLU 34 13.525 10.275 -13.114
215 HA GLU 34 HA GLU 34 15.983 8.835 -13.703
216 HB2 GLU 34 HB2 GLU 34 14.237 10.624 -15.399
217 HB3 GLU 34 HB3 GLU 34 15.705 9.849 -15.977
218 HG2 GLU 34 HG2 GLU 34 13.295 8.390 -14.912
219 HG3 GLU 34 HG3 GLU 34 13.643 8.656 -16.620
220 H GLN 35 H GLN 35 15.477 11.381 -11.931
221 HA GLN 35 HA GLN 35 16.709 13.135 -11.211
222 HB2 GLN 35 HB2 GLN 35 18.877 12.006 -12.989
223 HB3 GLN 35 HB3 GLN 35 19.106 13.207 -11.726
224 HG2 GLN 35 HG2 GLN 35 18.343 11.558 -10.063
225 HG3 GLN 35 HG3 GLN 35 18.212 10.359 -11.348
226 HE21 GLN 35 HE21 GLN 35 19.850 10.316 -8.975
227 HE22 GLN 35 HE22 GLN 35 21.487 10.167 -9.516
228 H HIS 36 H HIS 36 15.112 13.233 -13.693
229 HA HIS 36 HA HIS 36 14.500 14.708 -15.295
230 HB2 HIS 36 HB2 HIS 36 16.289 16.697 -13.866
231 HB3 HIS 36 HB3 HIS 36 14.905 17.060 -14.892
232 HD1 HIS 36 HD1 HIS 36 12.770 17.488 -13.643
233 HD2 HIS 36 HD2 HIS 36 15.413 15.134 -11.456
234 HE1 HIS 36 HE1 HIS 36 11.670 17.101 -11.416
235 HA PRO 37 HA PRO 37 18.295 13.807 -17.665
236 HB2 PRO 37 HB2 PRO 37 17.009 12.895 -19.873
237 HB3 PRO 37 HB3 PRO 37 17.335 11.890 -18.457
238 HG2 PRO 37 HG2 PRO 37 14.825 13.321 -19.229
239 HG3 PRO 37 HG3 PRO 37 15.023 11.674 -18.597
240 HD2 PRO 37 HD2 PRO 37 14.253 13.734 -17.032
241 HD3 PRO 37 HD3 PRO 37 15.257 12.405 -16.421
242 H ASN 38 H ASN 38 15.428 15.108 -19.421
243 HA ASN 38 HA ASN 38 17.293 16.995 -20.703
244 HB2 ASN 38 HB2 ASN 38 16.353 15.115 -22.135
245 HB3 ASN 38 HB3 ASN 38 14.795 15.911 -21.990
246 HD21 ASN 38 HD21 ASN 38 17.892 17.577 -22.272
247 HD22 ASN 38 HD22 ASN 38 17.587 18.237 -23.839
248 H GLY 39 H GLY 39 15.579 17.417 -18.301
249 HA2 GLY 39 HA2 GLY 39 14.738 19.520 -17.603
250 HA3 GLY 39 HA3 GLY 39 14.353 19.892 -19.275
251 H GLU 40 H GLU 40 13.461 16.912 -17.706
252 HA GLU 40 HA GLU 40 10.684 17.433 -18.280
253 HB2 GLU 40 HB2 GLU 40 11.833 15.202 -18.625
254 HB3 GLU 40 HB3 GLU 40 11.879 15.042 -16.877
255 HG2 GLU 40 HG2 GLU 40 10.019 13.801 -17.726
256 HG3 GLU 40 HG3 GLU 40 9.415 15.198 -16.835
257 HA PRO 41 HA PRO 41 10.172 18.896 -14.043
258 HB2 PRO 41 HB2 PRO 41 7.761 20.014 -14.365
259 HB3 PRO 41 HB3 PRO 41 9.218 20.771 -15.018
260 HG2 PRO 41 HG2 PRO 41 7.137 19.150 -16.419
261 HG3 PRO 41 HG3 PRO 41 7.967 20.617 -16.963
262 HD2 PRO 41 HD2 PRO 41 8.651 18.057 -17.733
263 HD3 PRO 41 HD3 PRO 41 9.761 19.442 -17.756
264 H CYS 42 H CYS 42 8.746 18.368 -12.300
265 HA CYS 42 HA CYS 42 7.291 15.872 -12.752
266 HB2 CYS 42 HB2 CYS 42 7.618 15.519 -10.326
267 HB3 CYS 42 HB3 CYS 42 9.149 15.766 -11.163
268 HA PRO 43 HA PRO 43 3.421 17.859 -11.726
269 HB2 PRO 43 HB2 PRO 43 2.081 15.845 -10.516
270 HB3 PRO 43 HB3 PRO 43 2.428 15.836 -12.251
271 HG2 PRO 43 HG2 PRO 43 3.895 14.461 -10.025
272 HG3 PRO 43 HG3 PRO 43 3.387 13.809 -11.596
273 HD2 PRO 43 HD2 PRO 43 5.913 14.633 -11.156
274 HD3 PRO 43 HD3 PRO 43 5.117 14.836 -12.726
275 H ALA 44 H ALA 44 5.561 18.317 -9.802
276 HA ALA 44 HA ALA 44 4.603 17.875 -7.155
277 HB1 ALA 44 HB1 ALA 44 6.981 18.149 -7.646
278 HB2 ALA 44 HB2 ALA 44 6.420 19.357 -6.486
279 HB3 ALA 44 HB3 ALA 44 6.683 19.808 -8.172
280 HA PRO 45 HA PRO 45 1.769 21.185 -6.382
281 HB2 PRO 45 HB2 PRO 45 3.581 21.971 -4.148
282 HB3 PRO 45 HB3 PRO 45 1.842 21.661 -4.132
283 HG2 PRO 45 HG2 PRO 45 3.570 19.873 -3.168
284 HG3 PRO 45 HG3 PRO 45 2.113 19.368 -4.044
285 HD2 PRO 45 HD2 PRO 45 4.951 19.383 -4.917
286 HD3 PRO 45 HD3 PRO 45 3.632 18.285 -5.365
287 H ASP 46 H ASP 46 4.945 22.484 -5.360
288 HA ASP 46 HA ASP 46 4.502 24.726 -7.233
289 HB2 ASP 46 HB2 ASP 46 4.398 25.460 -4.908
290 HB3 ASP 46 HB3 ASP 46 5.944 24.695 -4.569
291 H CYS 47 H CYS 47 6.418 22.084 -6.461
292 HA CYS 47 HA CYS 47 8.271 21.152 -7.314
293 HB2 CYS 47 HB2 CYS 47 7.104 21.872 -9.439
294 HB3 CYS 47 HB3 CYS 47 8.223 23.230 -9.483
295 H HIS 48 H HIS 48 10.554 21.317 -7.485
296 HA HIS 48 HA HIS 48 11.726 23.900 -6.670
297 HB2 HIS 48 HB2 HIS 48 11.961 21.283 -5.214
298 HB3 HIS 48 HB3 HIS 48 13.216 22.502 -5.090
299 HD1 HIS 48 HD1 HIS 48 12.983 23.666 -2.955
300 HD2 HIS 48 HD2 HIS 48 9.276 22.773 -4.590
301 HE1 HIS 48 HE1 HIS 48 11.301 24.575 -1.337
302 HE2 HIS 48 HE2 HIS 48 9.094 24.274 -2.497
303 H CYS 49 H CYS 49 12.273 20.610 -7.820
304 HA CYS 49 HA CYS 49 15.038 20.886 -8.293
305 HB2 CYS 49 HB2 CYS 49 14.527 18.784 -9.728
306 HB3 CYS 49 HB3 CYS 49 14.354 18.722 -7.975
307 H GLU 50 H GLU 50 15.987 22.017 -9.786
308 HA GLU 50 HA GLU 50 14.872 22.091 -12.507
309 HB2 GLU 50 HB2 GLU 50 16.175 24.383 -11.026
310 HB3 GLU 50 HB3 GLU 50 15.715 24.406 -12.720
311 HG2 GLU 50 HG2 GLU 50 13.395 24.240 -12.148
312 HG3 GLU 50 HG3 GLU 50 13.791 24.025 -10.444
313 H ARG 51 H ARG 51 17.285 21.037 -10.598
314 HA ARG 51 HA ARG 51 19.505 21.743 -12.288
315 HB2 ARG 51 HB2 ARG 51 20.872 20.707 -10.546
316 HB3 ARG 51 HB3 ARG 51 19.815 21.940 -9.872
317 HG2 ARG 51 HG2 ARG 51 18.333 20.272 -8.989
318 HG3 ARG 51 HG3 ARG 51 19.227 18.988 -9.805
319 HD2 ARG 51 HD2 ARG 51 21.193 19.499 -8.458
320 HD3 ARG 51 HD3 ARG 51 20.315 20.798 -7.658
321 HE ARG 51 HE ARG 51 18.741 18.895 -6.975
322 HH11 ARG 51 HH11 ARG 51 22.219 18.565 -7.336
323 HH12 ARG 51 HH12 ARG 51 22.347 17.311 -6.157
324 HH21 ARG 51 HH21 ARG 51 18.907 17.285 -5.389
325 HH22 ARG 51 HH22 ARG 51 20.452 16.579 -5.028
326 H SER 52 H SER 52 20.954 20.054 -12.882
327 HA SER 52 HA SER 52 21.348 18.346 -14.167
328 HB2 SER 52 HB2 SER 52 20.724 16.053 -13.113
329 HB3 SER 52 HB3 SER 52 21.839 17.121 -12.271
330 HG SER 52 HG SER 52 19.140 17.455 -11.683
Start of MODEL 2
1 HA ASN 1 HA ASN 1 5.317 7.039 7.183
2 HB2 ASN 1 HB2 ASN 1 6.711 4.921 7.415
3 HB3 ASN 1 HB3 ASN 1 6.173 4.483 5.800
4 HD21 ASN 1 HD21 ASN 1 8.853 4.880 6.624
5 HD22 ASN 1 HD22 ASN 1 9.491 6.204 5.714
6 H GLU 2 H GLU 2 4.192 8.344 5.869
7 HA GLU 2 HA GLU 2 2.675 7.493 3.639
8 HB2 GLU 2 HB2 GLU 2 3.765 10.212 4.372
9 HB3 GLU 2 HB3 GLU 2 2.618 9.919 3.072
10 HG2 GLU 2 HG2 GLU 2 0.937 9.238 4.576
11 HG3 GLU 2 HG3 GLU 2 2.072 9.141 5.916
12 H LEU 3 H LEU 3 3.123 8.063 1.370
13 HA LEU 3 HA LEU 3 5.891 7.359 0.822
14 HB2 LEU 3 HB2 LEU 3 3.887 6.102 -0.108
15 HB3 LEU 3 HB3 LEU 3 3.653 7.474 -1.171
16 HG LEU 3 HG LEU 3 5.838 7.092 -2.189
17 HD11 LEU 3 HD11 LEU 3 7.103 5.045 -1.626
18 HD12 LEU 3 HD12 LEU 3 6.019 4.779 -0.261
19 HD13 LEU 3 HD13 LEU 3 7.056 6.205 -0.301
20 HD21 LEU 3 HD21 LEU 3 5.333 4.991 -3.305
21 HD22 LEU 3 HD22 LEU 3 3.871 5.956 -3.100
22 HD23 LEU 3 HD23 LEU 3 4.178 4.584 -2.037
23 H ARG 4 H ARG 4 7.263 8.921 0.504
24 HA ARG 4 HA ARG 4 6.375 11.362 -0.882
25 HB2 ARG 4 HB2 ARG 4 8.738 10.958 0.970
26 HB3 ARG 4 HB3 ARG 4 8.409 12.438 0.090
27 HG2 ARG 4 HG2 ARG 4 7.576 12.927 2.172
28 HG3 ARG 4 HG3 ARG 4 6.128 12.360 1.341
29 HD2 ARG 4 HD2 ARG 4 6.377 10.168 2.351
30 HD3 ARG 4 HD3 ARG 4 7.884 10.671 3.117
31 HE ARG 4 HE ARG 4 5.546 12.251 3.766
32 HH11 ARG 4 HH11 ARG 4 7.599 9.560 4.694
33 HH12 ARG 4 HH12 ARG 4 7.136 9.618 6.356
34 HH21 ARG 4 HH21 ARG 4 4.931 12.323 5.975
35 HH22 ARG 4 HH22 ARG 4 5.612 11.193 7.089
36 H CYS 5 H CYS 5 7.980 12.354 -2.324
37 HA CYS 5 HA CYS 5 8.971 10.475 -4.171
38 HB2 CYS 5 HB2 CYS 5 8.187 12.870 -4.588
39 HB3 CYS 5 HB3 CYS 5 9.787 13.365 -4.054
40 H GLY 6 H GLY 6 11.053 9.889 -4.708
41 HA2 GLY 6 HA2 GLY 6 12.918 9.809 -2.507
42 HA3 GLY 6 HA3 GLY 6 13.101 9.084 -4.098
43 H CYS 7 H CYS 7 12.419 11.806 -5.185
44 HA CYS 7 HA CYS 7 14.977 12.594 -5.858
45 HB2 CYS 7 HB2 CYS 7 12.781 13.246 -6.953
46 HB3 CYS 7 HB3 CYS 7 12.637 14.482 -5.713
47 HA PRO 8 HA PRO 8 16.134 14.338 -1.881
48 HB2 PRO 8 HB2 PRO 8 18.698 14.947 -2.627
49 HB3 PRO 8 HB3 PRO 8 18.179 13.347 -2.089
50 HG2 PRO 8 HG2 PRO 8 18.604 14.367 -4.860
51 HG3 PRO 8 HG3 PRO 8 19.002 12.783 -4.173
52 HD2 PRO 8 HD2 PRO 8 16.835 13.197 -5.735
53 HD3 PRO 8 HD3 PRO 8 16.844 11.992 -4.429
54 H ASP 9 H ASP 9 15.762 15.856 -4.855
55 HA ASP 9 HA ASP 9 16.440 18.480 -3.723
56 HB2 ASP 9 HB2 ASP 9 16.299 17.526 -6.570
57 HB3 ASP 9 HB3 ASP 9 16.259 19.238 -6.168
58 H CYS 10 H CYS 10 13.806 16.527 -4.180
59 HA CYS 10 HA CYS 10 12.054 18.850 -4.183
60 HB2 CYS 10 HB2 CYS 10 12.442 17.901 -6.561
61 HB3 CYS 10 HB3 CYS 10 11.400 16.588 -6.028
62 H HIS 11 H HIS 11 9.955 18.436 -3.421
63 HA HIS 11 HA HIS 11 9.621 15.853 -2.064
64 HB2 HIS 11 HB2 HIS 11 8.833 18.611 -1.103
65 HB3 HIS 11 HB3 HIS 11 8.231 17.127 -0.379
66 HD2 HIS 11 HD2 HIS 11 11.552 19.187 -0.571
67 HE1 HIS 11 HE1 HIS 11 11.972 16.183 2.391
68 HE2 HIS 11 HE2 HIS 11 13.063 18.142 1.250
69 H CYS 12 H CYS 12 8.368 14.897 -3.579
70 HA CYS 12 HA CYS 12 5.913 16.289 -4.379
71 HB2 CYS 12 HB2 CYS 12 6.941 13.819 -5.719
72 HB3 CYS 12 HB3 CYS 12 5.943 15.108 -6.376
73 H LYS 13 H LYS 13 3.949 15.329 -4.040
74 HA LYS 13 HA LYS 13 3.783 13.245 -2.115
75 HB2 LYS 13 HB2 LYS 13 1.348 13.337 -2.548
76 HB3 LYS 13 HB3 LYS 13 2.041 14.905 -2.172
77 HG2 LYS 13 HG2 LYS 13 1.963 15.554 -4.487
78 HG3 LYS 13 HG3 LYS 13 1.439 13.937 -4.960
79 HD2 LYS 13 HD2 LYS 13 -0.086 15.788 -3.146
80 HD3 LYS 13 HD3 LYS 13 -0.417 15.575 -4.869
81 HE2 LYS 13 HE2 LYS 13 -0.806 13.156 -4.427
82 HE3 LYS 13 HE3 LYS 13 -0.597 13.471 -2.710
83 HZ1 LYS 13 HZ1 LYS 13 -2.915 13.431 -3.235
84 HZ2 LYS 13 HZ2 LYS 13 -2.727 14.577 -4.454
85 HZ3 LYS 13 HZ3 LYS 13 -2.485 15.014 -2.835
86 H VAL 14 H VAL 14 3.867 11.120 -2.467
87 HA VAL 14 HA VAL 14 3.591 10.233 -5.249
88 HB VAL 14 HB VAL 14 5.212 8.977 -3.026
89 HG11 VAL 14 HG11 VAL 14 4.294 7.321 -4.588
90 HG12 VAL 14 HG12 VAL 14 6.047 7.454 -4.711
91 HG13 VAL 14 HG13 VAL 14 5.017 8.203 -5.934
92 HG21 VAL 14 HG21 VAL 14 7.135 9.634 -4.385
93 HG22 VAL 14 HG22 VAL 14 6.198 11.029 -3.852
94 HG23 VAL 14 HG23 VAL 14 6.054 10.449 -5.512
95 H ASP 15 H ASP 15 2.343 8.549 -5.746
96 HA ASP 15 HA ASP 15 0.572 7.514 -3.651
97 HB2 ASP 15 HB2 ASP 15 -0.482 8.714 -5.531
98 HB3 ASP 15 HB3 ASP 15 0.231 7.561 -6.644
99 HA PRO 16 HA PRO 16 2.717 3.641 -3.964
100 HB2 PRO 16 HB2 PRO 16 0.134 2.422 -3.177
101 HB3 PRO 16 HB3 PRO 16 1.714 2.311 -2.396
102 HG2 PRO 16 HG2 PRO 16 -0.228 3.797 -1.336
103 HG3 PRO 16 HG3 PRO 16 1.461 4.339 -1.300
104 HD2 PRO 16 HD2 PRO 16 -0.772 5.204 -3.098
105 HD3 PRO 16 HD3 PRO 16 0.489 6.177 -2.308
106 H GLU 17 H GLU 17 -0.176 4.287 -5.764
107 HA GLU 17 HA GLU 17 0.257 1.862 -7.362
108 HB2 GLU 17 HB2 GLU 17 -2.033 2.259 -6.550
109 HB3 GLU 17 HB3 GLU 17 -2.055 3.808 -7.376
110 HG2 GLU 17 HG2 GLU 17 -3.283 2.181 -8.651
111 HG3 GLU 17 HG3 GLU 17 -1.826 2.645 -9.528
112 H ARG 18 H ARG 18 0.592 5.295 -7.414
113 HA ARG 18 HA ARG 18 1.091 5.247 -10.328
114 HB2 ARG 18 HB2 ARG 18 0.452 7.591 -8.528
115 HB3 ARG 18 HB3 ARG 18 0.768 7.699 -10.250
116 HG2 ARG 18 HG2 ARG 18 -1.230 6.663 -10.815
117 HG3 ARG 18 HG3 ARG 18 -1.434 5.968 -9.207
118 HD2 ARG 18 HD2 ARG 18 -2.979 7.825 -9.577
119 HD3 ARG 18 HD3 ARG 18 -1.833 8.175 -8.284
120 HE ARG 18 HE ARG 18 -0.964 9.170 -10.825
121 HH11 ARG 18 HH11 ARG 18 -3.044 9.838 -8.079
122 HH12 ARG 18 HH12 ARG 18 -3.018 11.551 -8.306
123 HH21 ARG 18 HH21 ARG 18 -0.910 11.467 -11.119
124 HH22 ARG 18 HH22 ARG 18 -1.785 12.484 -10.028
125 H VAL 19 H VAL 19 2.830 4.517 -8.092
126 HA VAL 19 HA VAL 19 4.884 6.556 -8.065
127 HB VAL 19 HB VAL 19 4.480 5.525 -5.956
128 HG11 VAL 19 HG11 VAL 19 3.439 3.481 -6.664
129 HG12 VAL 19 HG12 VAL 19 4.777 3.111 -5.573
130 HG13 VAL 19 HG13 VAL 19 4.968 2.882 -7.313
131 HG21 VAL 19 HG21 VAL 19 6.799 6.034 -6.350
132 HG22 VAL 19 HG22 VAL 19 7.046 4.467 -7.121
133 HG23 VAL 19 HG23 VAL 19 6.672 4.553 -5.399
134 H PHE 20 H PHE 20 6.752 6.523 -9.103
135 HA PHE 20 HA PHE 20 7.360 4.272 -10.869
136 HB2 PHE 20 HB2 PHE 20 8.241 7.142 -10.768
137 HB3 PHE 20 HB3 PHE 20 9.204 5.956 -11.633
138 HD1 PHE 20 HD1 PHE 20 6.280 8.035 -11.685
139 HD2 PHE 20 HD2 PHE 20 8.169 4.722 -13.554
140 HE1 PHE 20 HE1 PHE 20 4.812 8.312 -13.642
141 HE2 PHE 20 HE2 PHE 20 6.711 4.989 -15.517
142 HZ PHE 20 HZ PHE 20 5.029 6.786 -15.563
143 H ASN 21 H ASN 21 9.155 3.026 -10.545
144 HA ASN 21 HA ASN 21 10.613 3.613 -8.067
145 HB2 ASN 21 HB2 ASN 21 9.329 1.533 -7.966
146 HB3 ASN 21 HB3 ASN 21 10.153 0.940 -9.403
147 HD21 ASN 21 HD21 ASN 21 12.241 0.170 -9.234
148 HD22 ASN 21 HD22 ASN 21 13.005 -0.135 -7.717
149 H HIS 22 H HIS 22 12.733 3.738 -8.036
150 HA HIS 22 HA HIS 22 14.395 2.674 -10.125
151 HB2 HIS 22 HB2 HIS 22 13.801 4.788 -11.189
152 HB3 HIS 22 HB3 HIS 22 14.187 5.680 -9.727
153 HD2 HIS 22 HD2 HIS 22 16.895 6.264 -9.375
154 HE1 HIS 22 HE1 HIS 22 18.196 4.528 -13.020
155 HE2 HIS 22 HE2 HIS 22 18.778 6.107 -11.149
156 H ASP 23 H ASP 23 16.283 2.067 -9.252
157 HA ASP 23 HA ASP 23 17.952 1.745 -7.745
158 HB2 ASP 23 HB2 ASP 23 18.253 4.231 -8.060
159 HB3 ASP 23 HB3 ASP 23 17.234 4.482 -6.649
160 H GLY 24 H GLY 24 15.068 1.165 -7.176
161 HA2 GLY 24 HA2 GLY 24 13.984 0.010 -5.493
162 HA3 GLY 24 HA3 GLY 24 15.392 0.257 -4.470
163 H GLU 25 H GLU 25 14.416 3.149 -5.785
164 HA GLU 25 HA GLU 25 13.116 3.891 -3.274
165 HB2 GLU 25 HB2 GLU 25 15.288 4.982 -4.011
166 HB3 GLU 25 HB3 GLU 25 14.355 5.711 -5.307
167 HG2 GLU 25 HG2 GLU 25 13.057 6.971 -3.800
168 HG3 GLU 25 HG3 GLU 25 13.686 6.083 -2.413
169 H ALA 26 H ALA 26 11.377 5.391 -3.379
170 HA ALA 26 HA ALA 26 9.625 4.893 -5.672
171 HB1 ALA 26 HB1 ALA 26 8.750 4.279 -3.497
172 HB2 ALA 26 HB2 ALA 26 7.821 5.627 -4.157
173 HB3 ALA 26 HB3 ALA 26 9.022 5.915 -2.901
174 H TYR 27 H TYR 27 8.967 6.469 -7.018
175 HA TYR 27 HA TYR 27 9.505 9.267 -6.275
176 HB2 TYR 27 HB2 TYR 27 10.020 8.014 -8.973
177 HB3 TYR 27 HB3 TYR 27 10.197 9.718 -8.587
178 HD1 TYR 27 HD1 TYR 27 11.704 6.425 -8.419
179 HD2 TYR 27 HD2 TYR 27 12.049 10.457 -7.113
180 HE1 TYR 27 HE1 TYR 27 14.055 6.034 -7.837
181 HE2 TYR 27 HE2 TYR 27 14.402 10.070 -6.532
182 HH TYR 27 HH TYR 27 15.781 7.889 -5.842
183 H CYS 28 H CYS 28 8.212 10.823 -7.440
184 HA CYS 28 HA CYS 28 5.475 10.038 -7.706
185 HB2 CYS 28 HB2 CYS 28 5.103 12.383 -8.243
186 HB3 CYS 28 HB3 CYS 28 6.206 12.246 -6.875
187 H SER 29 H SER 29 8.002 11.004 -9.939
188 HA SER 29 HA SER 29 6.414 10.079 -12.211
189 HB2 SER 29 HB2 SER 29 5.987 12.428 -12.188
190 HB3 SER 29 HB3 SER 29 7.671 12.798 -11.833
191 HG SER 29 HG SER 29 6.609 12.818 -14.163
192 H GLN 30 H GLN 30 7.728 9.803 -14.139
193 HA GLN 30 HA GLN 30 10.126 8.470 -13.682
194 HB2 GLN 30 HB2 GLN 30 10.442 8.642 -16.179
195 HB3 GLN 30 HB3 GLN 30 8.937 7.911 -15.652
196 HG2 GLN 30 HG2 GLN 30 8.964 10.818 -16.239
197 HG3 GLN 30 HG3 GLN 30 9.016 9.689 -17.595
198 HE21 GLN 30 HE21 GLN 30 7.094 11.097 -15.106
199 HE22 GLN 30 HE22 GLN 30 5.599 10.347 -15.536
200 H ALA 31 H ALA 31 9.457 11.839 -14.168
201 HA ALA 31 HA ALA 31 11.969 12.768 -15.002
202 HB1 ALA 31 HB1 ALA 31 9.961 14.178 -14.955
203 HB2 ALA 31 HB2 ALA 31 11.291 14.926 -14.071
204 HB3 ALA 31 HB3 ALA 31 9.978 14.142 -13.192
205 H CYS 32 H CYS 32 10.682 12.733 -11.668
206 HA CYS 32 HA CYS 32 13.194 13.228 -10.465
207 HB2 CYS 32 HB2 CYS 32 10.587 12.164 -9.398
208 HB3 CYS 32 HB3 CYS 32 11.993 12.395 -8.374
209 H ALA 33 H ALA 33 11.467 10.332 -11.323
210 HA ALA 33 HA ALA 33 12.861 8.469 -9.769
211 HB1 ALA 33 HB1 ALA 33 11.657 7.958 -12.484
212 HB2 ALA 33 HB2 ALA 33 10.736 8.026 -10.983
213 HB3 ALA 33 HB3 ALA 33 11.959 6.776 -11.211
214 H GLU 34 H GLU 34 13.334 9.400 -13.122
215 HA GLU 34 HA GLU 34 15.702 7.803 -13.401
216 HB2 GLU 34 HB2 GLU 34 14.515 9.872 -15.247
217 HB3 GLU 34 HB3 GLU 34 15.809 8.757 -15.658
218 HG2 GLU 34 HG2 GLU 34 12.970 8.034 -14.964
219 HG3 GLU 34 HG3 GLU 34 13.708 7.989 -16.564
220 H GLN 35 H GLN 35 15.285 10.452 -11.685
221 HA GLN 35 HA GLN 35 16.640 12.009 -10.790
222 HB2 GLN 35 HB2 GLN 35 18.815 10.497 -12.245
223 HB3 GLN 35 HB3 GLN 35 19.094 11.739 -11.029
224 HG2 GLN 35 HG2 GLN 35 17.976 10.383 -9.355
225 HG3 GLN 35 HG3 GLN 35 17.617 9.156 -10.566
226 HE21 GLN 35 HE21 GLN 35 20.076 10.633 -8.626
227 HE22 GLN 35 HE22 GLN 35 21.275 9.407 -8.853
228 H HIS 36 H HIS 36 15.377 12.323 -13.382
229 HA HIS 36 HA HIS 36 15.130 13.856 -15.024
230 HB2 HIS 36 HB2 HIS 36 16.963 15.584 -13.347
231 HB3 HIS 36 HB3 HIS 36 15.810 16.135 -14.555
232 HD1 HIS 36 HD1 HIS 36 13.595 16.852 -13.645
233 HD2 HIS 36 HD2 HIS 36 15.543 14.246 -11.066
234 HE1 HIS 36 HE1 HIS 36 12.226 16.822 -11.550
235 HA PRO 37 HA PRO 37 19.164 12.900 -17.018
236 HB2 PRO 37 HB2 PRO 37 18.234 11.407 -19.035
237 HB3 PRO 37 HB3 PRO 37 18.446 10.737 -17.413
238 HG2 PRO 37 HG2 PRO 37 15.950 11.677 -18.761
239 HG3 PRO 37 HG3 PRO 37 16.201 10.250 -17.740
240 HD2 PRO 37 HD2 PRO 37 15.097 12.618 -16.862
241 HD3 PRO 37 HD3 PRO 37 15.904 11.440 -15.809
242 H ASN 38 H ASN 38 16.302 14.512 -17.959
243 HA ASN 38 HA ASN 38 17.681 15.678 -20.313
244 HB2 ASN 38 HB2 ASN 38 15.576 14.489 -20.851
245 HB3 ASN 38 HB3 ASN 38 14.711 15.567 -19.758
246 HD21 ASN 38 HD21 ASN 38 16.582 15.394 -22.692
247 HD22 ASN 38 HD22 ASN 38 15.987 16.854 -23.386
248 H GLY 39 H GLY 39 16.496 16.197 -17.200
249 HA2 GLY 39 HA2 GLY 39 16.865 18.141 -15.914
250 HA3 GLY 39 HA3 GLY 39 17.053 19.062 -17.406
251 H GLU 40 H GLU 40 14.504 16.824 -17.169
252 HA GLU 40 HA GLU 40 12.550 18.879 -17.574
253 HB2 GLU 40 HB2 GLU 40 10.976 17.011 -17.853
254 HB3 GLU 40 HB3 GLU 40 12.407 16.793 -18.843
255 HG2 GLU 40 HG2 GLU 40 12.158 15.467 -16.158
256 HG3 GLU 40 HG3 GLU 40 11.420 14.766 -17.592
257 HA PRO 41 HA PRO 41 11.569 19.218 -13.190
258 HB2 PRO 41 HB2 PRO 41 9.199 20.673 -14.179
259 HB3 PRO 41 HB3 PRO 41 10.484 21.233 -13.107
260 HG2 PRO 41 HG2 PRO 41 10.272 22.117 -15.631
261 HG3 PRO 41 HG3 PRO 41 11.847 21.876 -14.854
262 HD2 PRO 41 HD2 PRO 41 10.425 20.145 -16.837
263 HD3 PRO 41 HD3 PRO 41 12.150 20.558 -16.724
264 H CYS 42 H CYS 42 10.002 18.289 -11.820
265 HA CYS 42 HA CYS 42 8.403 16.226 -13.066
266 HB2 CYS 42 HB2 CYS 42 8.030 15.493 -10.740
267 HB3 CYS 42 HB3 CYS 42 9.740 15.731 -11.074
268 HA PRO 43 HA PRO 43 4.529 18.359 -12.718
269 HB2 PRO 43 HB2 PRO 43 2.757 16.419 -12.194
270 HB3 PRO 43 HB3 PRO 43 3.635 16.483 -13.727
271 HG2 PRO 43 HG2 PRO 43 4.162 14.798 -11.313
272 HG3 PRO 43 HG3 PRO 43 4.199 14.342 -13.026
273 HD2 PRO 43 HD2 PRO 43 6.428 14.926 -11.561
274 HD3 PRO 43 HD3 PRO 43 6.325 15.140 -13.317
275 H ALA 44 H ALA 44 6.107 17.836 -10.038
276 HA ALA 44 HA ALA 44 4.079 17.690 -8.041
277 HB1 ALA 44 HB1 ALA 44 6.902 18.740 -7.825
278 HB2 ALA 44 HB2 ALA 44 6.401 17.071 -7.568
279 HB3 ALA 44 HB3 ALA 44 5.840 18.337 -6.477
280 HA PRO 45 HA PRO 45 2.431 21.773 -8.327
281 HB2 PRO 45 HB2 PRO 45 1.606 22.051 -5.712
282 HB3 PRO 45 HB3 PRO 45 0.707 21.170 -6.952
283 HG2 PRO 45 HG2 PRO 45 2.562 20.120 -4.851
284 HG3 PRO 45 HG3 PRO 45 1.002 19.470 -5.392
285 HD2 PRO 45 HD2 PRO 45 3.311 18.399 -6.205
286 HD3 PRO 45 HD3 PRO 45 1.923 18.530 -7.305
287 H ASP 46 H ASP 46 4.516 21.069 -5.531
288 HA ASP 46 HA ASP 46 5.399 23.878 -5.577
289 HB2 ASP 46 HB2 ASP 46 6.028 23.624 -3.261
290 HB3 ASP 46 HB3 ASP 46 4.370 23.064 -3.453
291 H CYS 47 H CYS 47 6.334 21.750 -7.333
292 HA CYS 47 HA CYS 47 8.692 20.513 -6.739
293 HB2 CYS 47 HB2 CYS 47 7.725 20.151 -8.872
294 HB3 CYS 47 HB3 CYS 47 7.827 21.860 -9.282
295 H HIS 48 H HIS 48 10.790 21.011 -6.509
296 HA HIS 48 HA HIS 48 11.620 23.792 -6.968
297 HB2 HIS 48 HB2 HIS 48 12.180 22.160 -4.488
298 HB3 HIS 48 HB3 HIS 48 13.029 23.648 -4.884
299 HD1 HIS 48 HD1 HIS 48 10.774 22.802 -2.535
300 HD2 HIS 48 HD2 HIS 48 10.519 25.561 -5.620
301 HE1 HIS 48 HE1 HIS 48 9.006 24.427 -1.831
302 HE2 HIS 48 HE2 HIS 48 9.044 26.213 -3.603
303 H CYS 49 H CYS 49 12.071 20.736 -7.920
304 HA CYS 49 HA CYS 49 14.991 20.915 -8.036
305 HB2 CYS 49 HB2 CYS 49 14.929 18.568 -8.755
306 HB3 CYS 49 HB3 CYS 49 14.116 18.795 -7.212
307 H GLU 50 H GLU 50 16.095 20.729 -9.976
308 HA GLU 50 HA GLU 50 16.556 21.374 -12.082
309 HB2 GLU 50 HB2 GLU 50 14.075 19.788 -12.644
310 HB3 GLU 50 HB3 GLU 50 15.268 20.275 -13.846
311 HG2 GLU 50 HG2 GLU 50 15.833 18.578 -11.450
312 HG3 GLU 50 HG3 GLU 50 15.533 17.990 -13.082
313 H ARG 51 H ARG 51 16.219 23.453 -11.595
314 HA ARG 51 HA ARG 51 13.697 24.665 -12.405
315 HB2 ARG 51 HB2 ARG 51 16.139 25.945 -11.196
316 HB3 ARG 51 HB3 ARG 51 14.627 26.771 -11.544
317 HG2 ARG 51 HG2 ARG 51 13.522 25.110 -10.022
318 HG3 ARG 51 HG3 ARG 51 15.145 24.621 -9.530
319 HD2 ARG 51 HD2 ARG 51 14.300 26.252 -7.963
320 HD3 ARG 51 HD3 ARG 51 15.611 26.969 -8.900
321 HE ARG 51 HE ARG 51 12.915 27.423 -9.882
322 HH11 ARG 51 HH11 ARG 51 15.656 28.692 -8.099
323 HH12 ARG 51 HH12 ARG 51 15.110 30.330 -8.171
324 HH21 ARG 51 HH21 ARG 51 12.190 29.598 -9.987
325 HH22 ARG 51 HH22 ARG 51 13.134 30.849 -9.257
326 H SER 52 H SER 52 13.391 25.301 -14.375
327 HA SER 52 HA SER 52 15.684 26.325 -15.843
328 HB2 SER 52 HB2 SER 52 14.599 25.255 -17.918
329 HB3 SER 52 HB3 SER 52 15.437 24.188 -16.793
330 HG SER 52 HG SER 52 13.496 23.242 -17.224
Start of MODEL 3
1 HA ASN 1 HA ASN 1 1.408 8.216 2.997
2 HB2 ASN 1 HB2 ASN 1 2.083 10.914 1.796
3 HB3 ASN 1 HB3 ASN 1 2.416 9.372 1.013
4 HD21 ASN 1 HD21 ASN 1 -0.039 11.643 1.965
5 HD22 ASN 1 HD22 ASN 1 -1.317 10.950 1.033
6 H GLU 2 H GLU 2 3.070 7.097 3.729
7 HA GLU 2 HA GLU 2 5.379 8.291 4.934
8 HB2 GLU 2 HB2 GLU 2 4.942 5.439 4.024
9 HB3 GLU 2 HB3 GLU 2 6.224 5.991 5.082
10 HG2 GLU 2 HG2 GLU 2 3.281 5.957 5.675
11 HG3 GLU 2 HG3 GLU 2 4.511 4.899 6.357
12 H LEU 3 H LEU 3 4.485 7.180 1.809
13 HA LEU 3 HA LEU 3 7.154 6.938 0.779
14 HB2 LEU 3 HB2 LEU 3 5.094 5.615 0.092
15 HB3 LEU 3 HB3 LEU 3 4.577 7.051 -0.762
16 HG LEU 3 HG LEU 3 6.524 6.919 -2.221
17 HD11 LEU 3 HD11 LEU 3 7.995 4.945 -2.110
18 HD12 LEU 3 HD12 LEU 3 7.214 4.472 -0.599
19 HD13 LEU 3 HD13 LEU 3 8.135 5.974 -0.687
20 HD21 LEU 3 HD21 LEU 3 5.074 4.288 -1.976
21 HD22 LEU 3 HD22 LEU 3 5.921 4.881 -3.405
22 HD23 LEU 3 HD23 LEU 3 4.479 5.714 -2.824
23 H ARG 4 H ARG 4 8.324 8.460 -0.222
24 HA ARG 4 HA ARG 4 6.985 10.895 -1.156
25 HB2 ARG 4 HB2 ARG 4 8.710 12.333 -0.251
26 HB3 ARG 4 HB3 ARG 4 8.010 11.390 1.052
27 HG2 ARG 4 HG2 ARG 4 10.510 10.445 -0.284
28 HG3 ARG 4 HG3 ARG 4 10.582 11.735 0.916
29 HD2 ARG 4 HD2 ARG 4 9.325 9.034 1.384
30 HD3 ARG 4 HD3 ARG 4 10.973 9.459 1.847
31 HE ARG 4 HE ARG 4 8.958 11.241 2.876
32 HH11 ARG 4 HH11 ARG 4 10.763 8.288 3.467
33 HH12 ARG 4 HH12 ARG 4 10.521 8.338 5.180
34 HH21 ARG 4 HH21 ARG 4 8.660 11.303 5.164
35 HH22 ARG 4 HH22 ARG 4 9.331 10.039 6.139
36 H CYS 5 H CYS 5 8.496 12.200 -2.595
37 HA CYS 5 HA CYS 5 9.461 10.438 -4.620
38 HB2 CYS 5 HB2 CYS 5 8.372 12.839 -4.787
39 HB3 CYS 5 HB3 CYS 5 10.041 13.374 -4.654
40 H GLY 6 H GLY 6 11.542 10.171 -5.352
41 HA2 GLY 6 HA2 GLY 6 13.589 10.062 -3.397
42 HA3 GLY 6 HA3 GLY 6 13.804 9.838 -5.129
43 H CYS 7 H CYS 7 12.735 12.462 -5.727
44 HA CYS 7 HA CYS 7 15.061 13.965 -5.753
45 HB2 CYS 7 HB2 CYS 7 12.280 14.319 -6.492
46 HB3 CYS 7 HB3 CYS 7 12.983 15.817 -5.894
47 HA PRO 8 HA PRO 8 14.963 15.257 -1.456
48 HB2 PRO 8 HB2 PRO 8 17.458 16.250 -1.389
49 HB3 PRO 8 HB3 PRO 8 17.137 14.513 -1.388
50 HG2 PRO 8 HG2 PRO 8 17.976 16.282 -3.647
51 HG3 PRO 8 HG3 PRO 8 18.523 14.646 -3.244
52 HD2 PRO 8 HD2 PRO 8 16.659 15.204 -5.178
53 HD3 PRO 8 HD3 PRO 8 16.742 13.659 -4.304
54 H ASP 9 H ASP 9 15.723 17.260 -4.239
55 HA ASP 9 HA ASP 9 15.514 19.697 -2.667
56 HB2 ASP 9 HB2 ASP 9 16.113 20.844 -4.785
57 HB3 ASP 9 HB3 ASP 9 17.295 19.636 -4.303
58 H CYS 10 H CYS 10 13.434 17.639 -4.101
59 HA CYS 10 HA CYS 10 11.401 19.730 -4.364
60 HB2 CYS 10 HB2 CYS 10 12.140 19.002 -6.610
61 HB3 CYS 10 HB3 CYS 10 11.735 17.343 -6.188
62 H HIS 11 H HIS 11 9.294 19.060 -3.698
63 HA HIS 11 HA HIS 11 9.281 16.437 -2.374
64 HB2 HIS 11 HB2 HIS 11 9.338 18.200 -0.681
65 HB3 HIS 11 HB3 HIS 11 7.912 18.949 -1.391
66 HD2 HIS 11 HD2 HIS 11 5.625 18.187 -0.135
67 HE1 HIS 11 HE1 HIS 11 6.982 14.501 1.442
68 HE2 HIS 11 HE2 HIS 11 5.009 16.029 1.124
69 H CYS 12 H CYS 12 8.266 15.273 -3.906
70 HA CYS 12 HA CYS 12 5.579 16.134 -4.727
71 HB2 CYS 12 HB2 CYS 12 6.971 13.710 -5.812
72 HB3 CYS 12 HB3 CYS 12 5.778 14.739 -6.584
73 H LYS 13 H LYS 13 3.826 15.120 -3.759
74 HA LYS 13 HA LYS 13 4.173 13.094 -1.900
75 HB2 LYS 13 HB2 LYS 13 2.292 14.852 -2.233
76 HB3 LYS 13 HB3 LYS 13 1.604 13.643 -3.312
77 HG2 LYS 13 HG2 LYS 13 2.341 12.238 -1.121
78 HG3 LYS 13 HG3 LYS 13 1.731 13.754 -0.466
79 HD2 LYS 13 HD2 LYS 13 -0.138 12.230 -0.600
80 HD3 LYS 13 HD3 LYS 13 -0.331 13.435 -1.874
81 HE2 LYS 13 HE2 LYS 13 0.542 11.869 -3.522
82 HE3 LYS 13 HE3 LYS 13 0.851 10.680 -2.259
83 HZ1 LYS 13 HZ1 LYS 13 -1.806 11.690 -3.121
84 HZ2 LYS 13 HZ2 LYS 13 -1.555 10.640 -1.829
85 HZ3 LYS 13 HZ3 LYS 13 -1.185 10.142 -3.396
86 H VAL 14 H VAL 14 4.938 11.187 -2.596
87 HA VAL 14 HA VAL 14 4.042 10.099 -5.118
88 HB VAL 14 HB VAL 14 5.979 9.027 -3.073
89 HG11 VAL 14 HG11 VAL 14 5.326 7.996 -5.826
90 HG12 VAL 14 HG12 VAL 14 4.902 7.220 -4.298
91 HG13 VAL 14 HG13 VAL 14 6.595 7.387 -4.760
92 HG21 VAL 14 HG21 VAL 14 6.780 11.001 -4.200
93 HG22 VAL 14 HG22 VAL 14 6.378 10.295 -5.765
94 HG23 VAL 14 HG23 VAL 14 7.649 9.579 -4.776
95 H ASP 15 H ASP 15 2.472 8.714 -5.324
96 HA ASP 15 HA ASP 15 1.126 7.785 -2.921
97 HB2 ASP 15 HB2 ASP 15 0.014 8.877 -4.996
98 HB3 ASP 15 HB3 ASP 15 0.175 7.281 -5.710
99 HA PRO 16 HA PRO 16 3.040 3.793 -3.162
100 HB2 PRO 16 HB2 PRO 16 1.086 2.430 -1.759
101 HB3 PRO 16 HB3 PRO 16 2.404 3.341 -1.014
102 HG2 PRO 16 HG2 PRO 16 -0.431 4.162 -1.498
103 HG3 PRO 16 HG3 PRO 16 0.600 4.463 -0.085
104 HD2 PRO 16 HD2 PRO 16 0.133 6.366 -1.906
105 HD3 PRO 16 HD3 PRO 16 1.721 6.209 -1.123
106 H GLU 17 H GLU 17 -0.176 4.497 -4.245
107 HA GLU 17 HA GLU 17 -0.545 1.935 -5.508
108 HB2 GLU 17 HB2 GLU 17 -2.466 3.168 -4.639
109 HB3 GLU 17 HB3 GLU 17 -2.108 4.512 -5.712
110 HG2 GLU 17 HG2 GLU 17 -2.484 2.970 -7.635
111 HG3 GLU 17 HG3 GLU 17 -3.033 1.758 -6.478
112 H ARG 18 H ARG 18 0.725 5.064 -6.350
113 HA ARG 18 HA ARG 18 1.191 4.149 -9.095
114 HB2 ARG 18 HB2 ARG 18 0.145 6.889 -8.394
115 HB3 ARG 18 HB3 ARG 18 0.512 6.289 -10.005
116 HG2 ARG 18 HG2 ARG 18 -1.296 4.766 -9.946
117 HG3 ARG 18 HG3 ARG 18 -1.556 5.048 -8.224
118 HD2 ARG 18 HD2 ARG 18 -2.042 7.416 -8.782
119 HD3 ARG 18 HD3 ARG 18 -2.001 6.958 -10.487
120 HE ARG 18 HE ARG 18 -3.774 5.353 -8.864
121 HH11 ARG 18 HH11 ARG 18 -3.541 8.262 -10.828
122 HH12 ARG 18 HH12 ARG 18 -5.239 8.328 -11.142
123 HH21 ARG 18 HH21 ARG 18 -5.999 5.443 -9.289
124 HH22 ARG 18 HH22 ARG 18 -6.652 6.714 -10.262
125 H VAL 19 H VAL 19 3.206 3.806 -8.061
126 HA VAL 19 HA VAL 19 4.844 6.242 -7.904
127 HB VAL 19 HB VAL 19 4.764 5.542 -5.676
128 HG11 VAL 19 HG11 VAL 19 5.082 3.211 -4.944
129 HG12 VAL 19 HG12 VAL 19 5.113 2.708 -6.637
130 HG13 VAL 19 HG13 VAL 19 3.653 3.432 -5.953
131 HG21 VAL 19 HG21 VAL 19 7.050 5.931 -6.331
132 HG22 VAL 19 HG22 VAL 19 7.214 4.261 -6.871
133 HG23 VAL 19 HG23 VAL 19 6.992 4.614 -5.158
134 H PHE 20 H PHE 20 6.758 6.266 -8.954
135 HA PHE 20 HA PHE 20 7.420 3.945 -10.590
136 HB2 PHE 20 HB2 PHE 20 8.189 6.840 -10.670
137 HB3 PHE 20 HB3 PHE 20 9.183 5.645 -11.491
138 HD1 PHE 20 HD1 PHE 20 6.299 7.694 -11.667
139 HD2 PHE 20 HD2 PHE 20 8.027 4.144 -13.208
140 HE1 PHE 20 HE1 PHE 20 4.761 7.793 -13.589
141 HE2 PHE 20 HE2 PHE 20 6.505 4.228 -15.136
142 HZ PHE 20 HZ PHE 20 4.870 6.054 -15.330
143 H ASN 21 H ASN 21 9.255 2.769 -10.280
144 HA ASN 21 HA ASN 21 10.881 3.566 -7.973
145 HB2 ASN 21 HB2 ASN 21 11.503 1.194 -7.723
146 HB3 ASN 21 HB3 ASN 21 9.763 1.421 -7.609
147 HD21 ASN 21 HD21 ASN 21 12.380 0.172 -9.541
148 HD22 ASN 21 HD22 ASN 21 11.399 -0.796 -10.586
149 H HIS 22 H HIS 22 12.974 3.890 -8.194
150 HA HIS 22 HA HIS 22 14.350 2.915 -10.545
151 HB2 HIS 22 HB2 HIS 22 13.419 5.075 -11.282
152 HB3 HIS 22 HB3 HIS 22 14.164 5.878 -9.913
153 HD2 HIS 22 HD2 HIS 22 17.070 5.944 -10.090
154 HE1 HIS 22 HE1 HIS 22 17.022 5.486 -14.307
155 HE2 HIS 22 HE2 HIS 22 18.456 5.838 -12.276
156 H ASP 23 H ASP 23 16.145 2.055 -9.811
157 HA ASP 23 HA ASP 23 18.033 1.630 -8.626
158 HB2 ASP 23 HB2 ASP 23 18.526 4.042 -9.280
159 HB3 ASP 23 HB3 ASP 23 17.945 4.511 -7.687
160 H GLY 24 H GLY 24 15.350 1.381 -7.450
161 HA2 GLY 24 HA2 GLY 24 14.683 0.380 -5.451
162 HA3 GLY 24 HA3 GLY 24 16.198 0.888 -4.717
163 H GLU 25 H GLU 25 15.191 3.596 -6.113
164 HA GLU 25 HA GLU 25 13.915 4.516 -3.652
165 HB2 GLU 25 HB2 GLU 25 16.009 5.608 -4.675
166 HB3 GLU 25 HB3 GLU 25 14.917 6.228 -5.903
167 HG2 GLU 25 HG2 GLU 25 13.822 7.622 -4.426
168 HG3 GLU 25 HG3 GLU 25 14.366 6.716 -3.014
169 H ALA 26 H ALA 26 12.089 5.946 -3.810
170 HA ALA 26 HA ALA 26 10.309 5.140 -5.997
171 HB1 ALA 26 HB1 ALA 26 9.655 6.277 -3.284
172 HB2 ALA 26 HB2 ALA 26 9.553 4.579 -3.752
173 HB3 ALA 26 HB3 ALA 26 8.484 5.766 -4.497
174 H TYR 27 H TYR 27 9.129 6.638 -7.156
175 HA TYR 27 HA TYR 27 9.665 9.472 -6.668
176 HB2 TYR 27 HB2 TYR 27 10.130 8.078 -9.307
177 HB3 TYR 27 HB3 TYR 27 10.130 9.821 -9.081
178 HD1 TYR 27 HD1 TYR 27 12.036 6.748 -8.753
179 HD2 TYR 27 HD2 TYR 27 11.940 10.885 -7.733
180 HE1 TYR 27 HE1 TYR 27 14.435 6.682 -8.233
181 HE2 TYR 27 HE2 TYR 27 14.338 10.811 -7.228
182 HH TYR 27 HH TYR 27 15.986 8.936 -6.467
183 H CYS 28 H CYS 28 8.170 10.887 -7.682
184 HA CYS 28 HA CYS 28 5.495 9.891 -7.746
185 HB2 CYS 28 HB2 CYS 28 4.861 12.164 -8.332
186 HB3 CYS 28 HB3 CYS 28 6.097 12.211 -7.081
187 H SER 29 H SER 29 7.765 10.948 -10.182
188 HA SER 29 HA SER 29 6.253 9.562 -12.249
189 HB2 SER 29 HB2 SER 29 5.577 11.960 -12.280
190 HB3 SER 29 HB3 SER 29 7.271 12.405 -12.478
191 HG SER 29 HG SER 29 5.687 12.064 -14.392
192 H GLN 30 H GLN 30 7.675 9.559 -14.302
193 HA GLN 30 HA GLN 30 10.173 8.490 -13.521
194 HB2 GLN 30 HB2 GLN 30 10.604 8.222 -15.973
195 HB3 GLN 30 HB3 GLN 30 9.158 7.435 -15.370
196 HG2 GLN 30 HG2 GLN 30 8.900 10.147 -16.511
197 HG3 GLN 30 HG3 GLN 30 9.180 8.805 -17.623
198 HE21 GLN 30 HE21 GLN 30 6.930 10.436 -15.621
199 HE22 GLN 30 HE22 GLN 30 5.573 9.413 -15.936
200 H ALA 31 H ALA 31 9.193 11.655 -14.223
201 HA ALA 31 HA ALA 31 11.523 12.770 -15.325
202 HB1 ALA 31 HB1 ALA 31 9.422 14.009 -15.172
203 HB2 ALA 31 HB2 ALA 31 10.730 14.902 -14.397
204 HB3 ALA 31 HB3 ALA 31 9.554 14.030 -13.415
205 H CYS 32 H CYS 32 10.556 12.824 -11.874
206 HA CYS 32 HA CYS 32 13.121 13.609 -10.977
207 HB2 CYS 32 HB2 CYS 32 10.930 12.205 -9.407
208 HB3 CYS 32 HB3 CYS 32 12.277 13.111 -8.718
209 H ALA 33 H ALA 33 11.693 10.569 -11.739
210 HA ALA 33 HA ALA 33 13.353 8.838 -10.256
211 HB1 ALA 33 HB1 ALA 33 12.001 8.214 -12.870
212 HB2 ALA 33 HB2 ALA 33 11.190 8.198 -11.304
213 HB3 ALA 33 HB3 ALA 33 12.506 7.068 -11.629
214 H GLU 34 H GLU 34 13.510 9.806 -13.644
215 HA GLU 34 HA GLU 34 16.054 8.474 -13.970
216 HB2 GLU 34 HB2 GLU 34 14.426 10.125 -15.901
217 HB3 GLU 34 HB3 GLU 34 15.921 9.299 -16.313
218 HG2 GLU 34 HG2 GLU 34 14.838 7.153 -15.680
219 HG3 GLU 34 HG3 GLU 34 13.330 8.037 -15.447
220 H GLN 35 H GLN 35 15.486 11.065 -12.321
221 HA GLN 35 HA GLN 35 16.768 12.785 -11.590
222 HB2 GLN 35 HB2 GLN 35 18.851 11.620 -13.453
223 HB3 GLN 35 HB3 GLN 35 19.159 12.878 -12.264
224 HG2 GLN 35 HG2 GLN 35 18.765 11.402 -10.462
225 HG3 GLN 35 HG3 GLN 35 18.081 10.175 -11.526
226 HE21 GLN 35 HE21 GLN 35 20.303 10.036 -9.627
227 HE22 GLN 35 HE22 GLN 35 21.662 9.492 -10.540
228 H HIS 36 H HIS 36 15.111 12.859 -14.056
229 HA HIS 36 HA HIS 36 14.460 14.294 -15.674
230 HB2 HIS 36 HB2 HIS 36 16.166 16.335 -14.220
231 HB3 HIS 36 HB3 HIS 36 14.835 16.672 -15.321
232 HD1 HIS 36 HD1 HIS 36 12.598 17.019 -14.226
233 HD2 HIS 36 HD2 HIS 36 15.226 14.901 -11.804
234 HE1 HIS 36 HE1 HIS 36 11.423 16.738 -12.027
235 HA PRO 37 HA PRO 37 18.330 13.596 -18.060
236 HB2 PRO 37 HB2 PRO 37 17.104 12.471 -20.201
237 HB3 PRO 37 HB3 PRO 37 17.532 11.555 -18.753
238 HG2 PRO 37 HG2 PRO 37 14.893 12.740 -19.528
239 HG3 PRO 37 HG3 PRO 37 15.241 11.130 -18.864
240 HD2 PRO 37 HD2 PRO 37 14.320 13.147 -17.332
241 HD3 PRO 37 HD3 PRO 37 15.454 11.931 -16.706
242 H ASN 38 H ASN 38 15.318 15.178 -18.847
243 HA ASN 38 HA ASN 38 16.736 16.785 -20.888
244 HB2 ASN 38 HB2 ASN 38 14.811 15.523 -21.768
245 HB3 ASN 38 HB3 ASN 38 13.765 16.331 -20.603
246 HD21 ASN 38 HD21 ASN 38 15.921 16.858 -23.306
247 HD22 ASN 38 HD22 ASN 38 15.192 18.326 -23.835
248 H GLY 39 H GLY 39 15.140 16.789 -17.877
249 HA2 GLY 39 HA2 GLY 39 15.408 18.615 -16.352
250 HA3 GLY 39 HA3 GLY 39 15.445 19.712 -17.730
251 H GLU 40 H GLU 40 13.218 17.142 -17.745
252 HA GLU 40 HA GLU 40 11.004 18.885 -18.012
253 HB2 GLU 40 HB2 GLU 40 9.672 16.740 -17.976
254 HB3 GLU 40 HB3 GLU 40 10.900 16.851 -19.225
255 HG2 GLU 40 HG2 GLU 40 11.462 15.460 -16.628
256 HG3 GLU 40 HG3 GLU 40 10.605 14.642 -17.931
257 HA PRO 41 HA PRO 41 10.220 19.341 -13.620
258 HB2 PRO 41 HB2 PRO 41 7.699 20.552 -14.567
259 HB3 PRO 41 HB3 PRO 41 8.970 21.258 -13.563
260 HG2 PRO 41 HG2 PRO 41 8.611 22.027 -16.103
261 HG3 PRO 41 HG3 PRO 41 10.228 21.917 -15.386
262 HD2 PRO 41 HD2 PRO 41 8.842 20.015 -17.235
263 HD3 PRO 41 HD3 PRO 41 10.535 20.556 -17.224
264 H CYS 42 H CYS 42 9.135 18.060 -12.228
265 HA CYS 42 HA CYS 42 7.596 15.889 -13.204
266 HB2 CYS 42 HB2 CYS 42 7.334 15.427 -10.733
267 HB3 CYS 42 HB3 CYS 42 8.996 15.574 -11.297
268 HA PRO 43 HA PRO 43 3.492 17.560 -12.810
269 HB2 PRO 43 HB2 PRO 43 2.023 15.429 -12.120
270 HB3 PRO 43 HB3 PRO 43 2.829 15.521 -13.691
271 HG2 PRO 43 HG2 PRO 43 3.667 14.067 -11.214
272 HG3 PRO 43 HG3 PRO 43 3.697 13.517 -12.899
273 HD2 PRO 43 HD2 PRO 43 5.886 14.475 -11.575
274 HD3 PRO 43 HD3 PRO 43 5.683 14.570 -13.333
275 H ALA 44 H ALA 44 5.175 17.776 -10.356
276 HA ALA 44 HA ALA 44 3.238 17.408 -8.216
277 HB1 ALA 44 HB1 ALA 44 5.561 16.740 -7.808
278 HB2 ALA 44 HB2 ALA 44 5.065 18.036 -6.721
279 HB3 ALA 44 HB3 ALA 44 6.088 18.394 -8.112
280 HA PRO 45 HA PRO 45 1.721 21.569 -8.629
281 HB2 PRO 45 HB2 PRO 45 0.760 21.830 -6.071
282 HB3 PRO 45 HB3 PRO 45 -0.099 20.974 -7.360
283 HG2 PRO 45 HG2 PRO 45 1.665 19.883 -5.199
284 HG3 PRO 45 HG3 PRO 45 0.091 19.276 -5.758
285 HD2 PRO 45 HD2 PRO 45 2.354 18.114 -6.528
286 HD3 PRO 45 HD3 PRO 45 1.019 18.335 -7.682
287 H ASP 46 H ASP 46 3.778 20.600 -5.980
288 HA ASP 46 HA ASP 46 4.667 23.384 -5.680
289 HB2 ASP 46 HB2 ASP 46 4.529 21.153 -3.670
290 HB3 ASP 46 HB3 ASP 46 5.410 22.650 -3.377
291 H CYS 47 H CYS 47 5.606 21.454 -7.611
292 HA CYS 47 HA CYS 47 8.010 20.227 -7.012
293 HB2 CYS 47 HB2 CYS 47 7.198 19.838 -9.172
294 HB3 CYS 47 HB3 CYS 47 6.997 21.555 -9.505
295 H HIS 48 H HIS 48 10.121 20.847 -6.897
296 HA HIS 48 HA HIS 48 10.777 23.632 -7.394
297 HB2 HIS 48 HB2 HIS 48 10.099 23.197 -4.910
298 HB3 HIS 48 HB3 HIS 48 11.702 22.474 -4.793
299 HD1 HIS 48 HD1 HIS 48 13.756 24.086 -5.001
300 HD2 HIS 48 HD2 HIS 48 10.048 25.965 -5.185
301 HE1 HIS 48 HE1 HIS 48 14.217 26.528 -4.719
302 HE2 HIS 48 HE2 HIS 48 11.955 27.625 -4.682
303 H CYS 49 H CYS 49 11.417 20.879 -8.487
304 HA CYS 49 HA CYS 49 14.021 20.121 -7.947
305 HB2 CYS 49 HB2 CYS 49 12.702 20.192 -10.672
306 HB3 CYS 49 HB3 CYS 49 14.103 19.226 -10.230
307 H GLU 50 H GLU 50 15.750 21.281 -7.889
308 HA GLU 50 HA GLU 50 15.996 23.590 -9.703
309 HB2 GLU 50 HB2 GLU 50 17.404 24.588 -7.862
310 HB3 GLU 50 HB3 GLU 50 15.687 24.435 -7.517
311 HG2 GLU 50 HG2 GLU 50 16.327 22.214 -6.394
312 HG3 GLU 50 HG3 GLU 50 17.972 22.843 -6.426
313 H ARG 51 H ARG 51 17.540 20.805 -8.324
314 HA ARG 51 HA ARG 51 20.036 21.477 -9.668
315 HB2 ARG 51 HB2 ARG 51 20.910 19.386 -8.595
316 HB3 ARG 51 HB3 ARG 51 20.349 20.595 -7.455
317 HG2 ARG 51 HG2 ARG 51 19.546 18.608 -6.583
318 HG3 ARG 51 HG3 ARG 51 18.153 19.262 -7.443
319 HD2 ARG 51 HD2 ARG 51 18.900 17.838 -9.409
320 HD3 ARG 51 HD3 ARG 51 19.990 17.041 -8.278
321 HE ARG 51 HE ARG 51 17.172 17.164 -7.550
322 HH11 ARG 51 HH11 ARG 51 19.878 15.267 -8.757
323 HH12 ARG 51 HH12 ARG 51 19.054 13.756 -8.581
324 HH21 ARG 51 HH21 ARG 51 16.078 15.160 -7.376
325 HH22 ARG 51 HH22 ARG 51 16.901 13.690 -7.789
326 H SER 52 H SER 52 20.995 20.100 -11.215
327 HA SER 52 HA SER 52 19.474 17.931 -12.348
328 HB2 SER 52 HB2 SER 52 19.940 20.443 -13.977
329 HB3 SER 52 HB3 SER 52 19.320 18.920 -14.614
330 HG SER 52 HG SER 52 17.879 19.647 -12.471
Start of MODEL 4
1 HA ASN 1 HA ASN 1 1.484 10.919 3.500
2 HB2 ASN 1 HB2 ASN 1 2.808 11.173 0.793
3 HB3 ASN 1 HB3 ASN 1 2.056 9.687 1.361
4 HD21 ASN 1 HD21 ASN 1 1.531 12.904 0.213
5 HD22 ASN 1 HD22 ASN 1 -0.177 12.768 -0.005
6 H GLU 2 H GLU 2 2.549 8.689 3.265
7 HA GLU 2 HA GLU 2 4.951 8.729 4.812
8 HB2 GLU 2 HB2 GLU 2 3.341 7.009 5.266
9 HB3 GLU 2 HB3 GLU 2 3.365 6.475 3.591
10 HG2 GLU 2 HG2 GLU 2 5.672 5.742 3.846
11 HG3 GLU 2 HG3 GLU 2 5.668 6.295 5.518
12 H LEU 3 H LEU 3 4.102 7.863 1.515
13 HA LEU 3 HA LEU 3 6.883 7.266 0.910
14 HB2 LEU 3 HB2 LEU 3 4.927 5.833 0.162
15 HB3 LEU 3 HB3 LEU 3 4.505 7.132 -0.934
16 HG LEU 3 HG LEU 3 6.660 6.852 -2.089
17 HD11 LEU 3 HD11 LEU 3 7.999 6.027 -0.245
18 HD12 LEU 3 HD12 LEU 3 8.042 4.884 -1.585
19 HD13 LEU 3 HD13 LEU 3 7.036 4.553 -0.175
20 HD21 LEU 3 HD21 LEU 3 6.155 4.700 -3.131
21 HD22 LEU 3 HD22 LEU 3 4.690 5.650 -2.877
22 HD23 LEU 3 HD23 LEU 3 5.069 4.307 -1.798
23 H ARG 4 H ARG 4 8.161 8.881 0.282
24 HA ARG 4 HA ARG 4 6.922 11.197 -1.050
25 HB2 ARG 4 HB2 ARG 4 9.570 11.106 0.415
26 HB3 ARG 4 HB3 ARG 4 8.840 12.524 -0.313
27 HG2 ARG 4 HG2 ARG 4 8.317 12.840 1.888
28 HG3 ARG 4 HG3 ARG 4 6.878 11.985 1.332
29 HD2 ARG 4 HD2 ARG 4 7.707 11.100 3.465
30 HD3 ARG 4 HD3 ARG 4 7.760 9.892 2.180
31 HE ARG 4 HE ARG 4 10.210 11.379 2.596
32 HH11 ARG 4 HH11 ARG 4 8.391 8.475 3.377
33 HH12 ARG 4 HH12 ARG 4 9.802 7.586 3.851
34 HH21 ARG 4 HH21 ARG 4 12.057 10.196 3.236
35 HH22 ARG 4 HH22 ARG 4 11.879 8.561 3.784
36 H CYS 5 H CYS 5 8.329 12.307 -2.630
37 HA CYS 5 HA CYS 5 9.331 10.438 -4.528
38 HB2 CYS 5 HB2 CYS 5 8.190 12.634 -5.075
39 HB3 CYS 5 HB3 CYS 5 9.673 13.441 -4.579
40 H GLY 6 H GLY 6 11.433 10.140 -5.211
41 HA2 GLY 6 HA2 GLY 6 13.432 10.284 -3.153
42 HA3 GLY 6 HA3 GLY 6 13.614 9.659 -4.785
43 H CYS 7 H CYS 7 12.474 12.410 -5.522
44 HA CYS 7 HA CYS 7 14.910 13.505 -6.280
45 HB2 CYS 7 HB2 CYS 7 12.353 13.989 -6.970
46 HB3 CYS 7 HB3 CYS 7 12.663 15.383 -5.941
47 HA PRO 8 HA PRO 8 16.233 14.920 -2.279
48 HB2 PRO 8 HB2 PRO 8 18.348 16.423 -3.319
49 HB3 PRO 8 HB3 PRO 8 18.426 14.729 -2.828
50 HG2 PRO 8 HG2 PRO 8 18.112 15.904 -5.543
51 HG3 PRO 8 HG3 PRO 8 18.960 14.431 -5.045
52 HD2 PRO 8 HD2 PRO 8 16.568 14.376 -6.269
53 HD3 PRO 8 HD3 PRO 8 17.010 13.161 -5.049
54 H ASP 9 H ASP 9 15.608 17.056 -4.982
55 HA ASP 9 HA ASP 9 15.408 19.315 -3.125
56 HB2 ASP 9 HB2 ASP 9 15.461 19.190 -6.129
57 HB3 ASP 9 HB3 ASP 9 15.086 20.659 -5.239
58 H CYS 10 H CYS 10 13.434 16.987 -4.486
59 HA CYS 10 HA CYS 10 11.122 18.745 -4.117
60 HB2 CYS 10 HB2 CYS 10 11.973 18.448 -6.590
61 HB3 CYS 10 HB3 CYS 10 11.143 16.903 -6.470
62 H HIS 11 H HIS 11 9.775 17.813 -2.772
63 HA HIS 11 HA HIS 11 9.610 14.883 -2.773
64 HB2 HIS 11 HB2 HIS 11 8.948 16.835 -0.549
65 HB3 HIS 11 HB3 HIS 11 8.679 15.097 -0.470
66 HD2 HIS 11 HD2 HIS 11 11.151 13.559 -0.536
67 HE1 HIS 11 HE1 HIS 11 13.482 16.830 0.814
68 HE2 HIS 11 HE2 HIS 11 13.310 14.333 0.652
69 H CYS 12 H CYS 12 8.166 14.580 -4.264
70 HA CYS 12 HA CYS 12 5.851 16.269 -4.518
71 HB2 CYS 12 HB2 CYS 12 6.449 13.853 -6.147
72 HB3 CYS 12 HB3 CYS 12 5.654 15.347 -6.629
73 H LYS 13 H LYS 13 3.806 15.146 -5.113
74 HA LYS 13 HA LYS 13 2.992 13.372 -3.059
75 HB2 LYS 13 HB2 LYS 13 0.846 13.344 -4.633
76 HB3 LYS 13 HB3 LYS 13 1.217 14.691 -3.577
77 HG2 LYS 13 HG2 LYS 13 0.585 15.630 -5.636
78 HG3 LYS 13 HG3 LYS 13 2.331 15.799 -5.542
79 HD2 LYS 13 HD2 LYS 13 1.699 15.117 -7.780
80 HD3 LYS 13 HD3 LYS 13 2.565 13.801 -6.988
81 HE2 LYS 13 HE2 LYS 13 0.661 12.913 -8.178
82 HE3 LYS 13 HE3 LYS 13 0.398 12.738 -6.449
83 HZ1 LYS 13 HZ1 LYS 13 -0.938 14.826 -6.572
84 HZ2 LYS 13 HZ2 LYS 13 -1.602 13.524 -7.404
85 HZ3 LYS 13 HZ3 LYS 13 -0.816 14.754 -8.256
86 H VAL 14 H VAL 14 3.439 11.333 -3.048
87 HA VAL 14 HA VAL 14 3.672 9.941 -5.620
88 HB VAL 14 HB VAL 14 4.901 9.165 -2.965
89 HG11 VAL 14 HG11 VAL 14 6.127 7.494 -4.254
90 HG12 VAL 14 HG12 VAL 14 5.266 7.982 -5.714
91 HG13 VAL 14 HG13 VAL 14 4.386 7.239 -4.379
92 HG21 VAL 14 HG21 VAL 14 6.162 10.330 -5.442
93 HG22 VAL 14 HG22 VAL 14 7.030 9.778 -4.011
94 HG23 VAL 14 HG23 VAL 14 5.937 11.159 -3.902
95 H ASP 15 H ASP 15 2.460 8.202 -6.036
96 HA ASP 15 HA ASP 15 0.314 7.600 -4.173
97 HB2 ASP 15 HB2 ASP 15 -0.003 7.998 -6.705
98 HB3 ASP 15 HB3 ASP 15 0.753 6.429 -6.906
99 HA PRO 16 HA PRO 16 2.470 4.015 -2.674
100 HB2 PRO 16 HB2 PRO 16 0.257 2.601 -1.829
101 HB3 PRO 16 HB3 PRO 16 1.032 3.886 -0.895
102 HG2 PRO 16 HG2 PRO 16 -1.388 4.007 -2.646
103 HG3 PRO 16 HG3 PRO 16 -1.109 4.767 -1.068
104 HD2 PRO 16 HD2 PRO 16 -0.933 6.160 -3.347
105 HD3 PRO 16 HD3 PRO 16 0.157 6.481 -1.980
106 H GLU 17 H GLU 17 -0.136 3.851 -4.998
107 HA GLU 17 HA GLU 17 0.644 1.135 -5.761
108 HB2 GLU 17 HB2 GLU 17 -1.718 1.497 -5.282
109 HB3 GLU 17 HB3 GLU 17 -1.770 2.817 -6.437
110 HG2 GLU 17 HG2 GLU 17 -1.199 1.167 -8.215
111 HG3 GLU 17 HG3 GLU 17 -1.395 -0.103 -7.006
112 H ARG 18 H ARG 18 0.711 4.443 -6.679
113 HA ARG 18 HA ARG 18 1.735 3.690 -9.316
114 HB2 ARG 18 HB2 ARG 18 0.032 6.101 -8.648
115 HB3 ARG 18 HB3 ARG 18 0.882 5.894 -10.173
116 HG2 ARG 18 HG2 ARG 18 -1.174 5.074 -10.753
117 HG3 ARG 18 HG3 ARG 18 -0.369 3.614 -10.172
118 HD2 ARG 18 HD2 ARG 18 -2.386 3.462 -9.098
119 HD3 ARG 18 HD3 ARG 18 -1.368 4.250 -7.893
120 HE ARG 18 HE ARG 18 -2.414 6.377 -8.951
121 HH11 ARG 18 HH11 ARG 18 -4.041 3.308 -8.373
122 HH12 ARG 18 HH12 ARG 18 -5.580 4.040 -8.089
123 HH21 ARG 18 HH21 ARG 18 -4.463 7.332 -8.589
124 HH22 ARG 18 HH22 ARG 18 -5.828 6.336 -8.226
125 H VAL 19 H VAL 19 3.606 3.560 -7.902
126 HA VAL 19 HA VAL 19 4.972 6.150 -7.732
127 HB VAL 19 HB VAL 19 4.872 5.281 -5.531
128 HG11 VAL 19 HG11 VAL 19 5.783 2.625 -6.635
129 HG12 VAL 19 HG12 VAL 19 4.167 3.014 -6.046
130 HG13 VAL 19 HG13 VAL 19 5.533 2.994 -4.929
131 HG21 VAL 19 HG21 VAL 19 7.543 4.541 -6.711
132 HG22 VAL 19 HG22 VAL 19 7.213 4.717 -4.989
133 HG23 VAL 19 HG23 VAL 19 7.068 6.112 -6.060
134 H PHE 20 H PHE 20 6.720 6.453 -8.963
135 HA PHE 20 HA PHE 20 7.619 4.383 -10.740
136 HB2 PHE 20 HB2 PHE 20 7.509 7.109 -10.877
137 HB3 PHE 20 HB3 PHE 20 9.204 6.848 -10.482
138 HD1 PHE 20 HD1 PHE 20 6.700 6.748 -12.971
139 HD2 PHE 20 HD2 PHE 20 10.578 5.363 -11.979
140 HE1 PHE 20 HE1 PHE 20 7.121 6.247 -15.352
141 HE2 PHE 20 HE2 PHE 20 11.021 4.856 -14.346
142 HZ PHE 20 HZ PHE 20 9.288 5.300 -16.039
143 H ASN 21 H ASN 21 9.236 2.997 -10.264
144 HA ASN 21 HA ASN 21 10.903 3.606 -7.938
145 HB2 ASN 21 HB2 ASN 21 11.507 1.236 -7.920
146 HB3 ASN 21 HB3 ASN 21 9.760 1.427 -7.906
147 HD21 ASN 21 HD21 ASN 21 12.517 0.382 -9.731
148 HD22 ASN 21 HD22 ASN 21 11.636 -0.430 -10.978
149 H HIS 22 H HIS 22 13.048 3.858 -8.049
150 HA HIS 22 HA HIS 22 14.546 3.087 -10.368
151 HB2 HIS 22 HB2 HIS 22 13.605 5.182 -11.208
152 HB3 HIS 22 HB3 HIS 22 14.154 6.035 -9.775
153 HD2 HIS 22 HD2 HIS 22 16.950 6.582 -9.723
154 HE1 HIS 22 HE1 HIS 22 17.567 5.564 -13.792
155 HE2 HIS 22 HE2 HIS 22 18.487 6.782 -11.788
156 H ASP 23 H ASP 23 16.473 2.449 -9.674
157 HA ASP 23 HA ASP 23 18.368 2.195 -8.433
158 HB2 ASP 23 HB2 ASP 23 18.580 4.664 -8.966
159 HB3 ASP 23 HB3 ASP 23 17.843 5.004 -7.408
160 H GLY 24 H GLY 24 15.604 1.695 -7.321
161 HA2 GLY 24 HA2 GLY 24 14.970 0.556 -5.386
162 HA3 GLY 24 HA3 GLY 24 16.467 1.073 -4.621
163 H GLU 25 H GLU 25 15.197 3.756 -5.990
164 HA GLU 25 HA GLU 25 13.987 4.568 -3.454
165 HB2 GLU 25 HB2 GLU 25 15.945 5.861 -4.355
166 HB3 GLU 25 HB3 GLU 25 14.945 6.298 -5.731
167 HG2 GLU 25 HG2 GLU 25 15.111 8.064 -4.021
168 HG3 GLU 25 HG3 GLU 25 13.459 7.543 -4.351
169 H ALA 26 H ALA 26 12.155 6.012 -3.583
170 HA ALA 26 HA ALA 26 10.267 5.125 -5.654
171 HB1 ALA 26 HB1 ALA 26 9.586 4.632 -3.385
172 HB2 ALA 26 HB2 ALA 26 8.535 5.884 -4.051
173 HB3 ALA 26 HB3 ALA 26 9.814 6.317 -2.919
174 H TYR 27 H TYR 27 9.203 6.600 -6.926
175 HA TYR 27 HA TYR 27 9.732 9.454 -6.459
176 HB2 TYR 27 HB2 TYR 27 10.095 8.024 -9.095
177 HB3 TYR 27 HB3 TYR 27 10.149 9.766 -8.879
178 HD1 TYR 27 HD1 TYR 27 11.907 6.598 -8.236
179 HD2 TYR 27 HD2 TYR 27 12.109 10.835 -7.990
180 HE1 TYR 27 HE1 TYR 27 14.326 6.455 -7.852
181 HE2 TYR 27 HE2 TYR 27 14.532 10.702 -7.612
182 HH TYR 27 HH TYR 27 16.189 9.063 -6.771
183 H CYS 28 H CYS 28 8.258 10.858 -7.642
184 HA CYS 28 HA CYS 28 5.578 9.870 -7.567
185 HB2 CYS 28 HB2 CYS 28 4.969 12.124 -8.313
186 HB3 CYS 28 HB3 CYS 28 6.133 12.183 -6.994
187 H SER 29 H SER 29 7.821 10.817 -10.113
188 HA SER 29 HA SER 29 6.447 9.146 -12.018
189 HB2 SER 29 HB2 SER 29 6.661 12.144 -12.417
190 HB3 SER 29 HB3 SER 29 6.215 10.999 -13.681
191 HG SER 29 HG SER 29 4.690 10.519 -11.559
192 H GLN 30 H GLN 30 7.615 9.688 -14.287
193 HA GLN 30 HA GLN 30 10.214 8.691 -13.981
194 HB2 GLN 30 HB2 GLN 30 10.386 8.797 -16.374
195 HB3 GLN 30 HB3 GLN 30 8.778 8.249 -15.933
196 HG2 GLN 30 HG2 GLN 30 9.477 11.056 -16.753
197 HG3 GLN 30 HG3 GLN 30 8.808 9.829 -17.826
198 HE21 GLN 30 HE21 GLN 30 7.764 12.452 -17.046
199 HE22 GLN 30 HE22 GLN 30 6.194 12.148 -16.374
200 H ALA 31 H ALA 31 9.071 11.972 -14.222
201 HA ALA 31 HA ALA 31 11.318 13.267 -15.236
202 HB1 ALA 31 HB1 ALA 31 9.406 14.285 -13.135
203 HB2 ALA 31 HB2 ALA 31 9.163 14.374 -14.881
204 HB3 ALA 31 HB3 ALA 31 10.480 15.271 -14.128
205 H CYS 32 H CYS 32 10.508 12.918 -11.793
206 HA CYS 32 HA CYS 32 13.060 13.822 -10.949
207 HB2 CYS 32 HB2 CYS 32 10.909 12.344 -9.434
208 HB3 CYS 32 HB3 CYS 32 12.277 13.191 -8.718
209 H ALA 33 H ALA 33 11.700 10.738 -11.692
210 HA ALA 33 HA ALA 33 13.492 9.093 -10.244
211 HB1 ALA 33 HB1 ALA 33 11.921 8.413 -12.729
212 HB2 ALA 33 HB2 ALA 33 11.323 8.300 -11.073
213 HB3 ALA 33 HB3 ALA 33 12.647 7.263 -11.606
214 H GLU 34 H GLU 34 13.428 10.177 -13.591
215 HA GLU 34 HA GLU 34 15.910 8.858 -14.257
216 HB2 GLU 34 HB2 GLU 34 14.117 10.750 -15.773
217 HB3 GLU 34 HB3 GLU 34 15.626 10.137 -16.431
218 HG2 GLU 34 HG2 GLU 34 13.406 8.350 -15.483
219 HG3 GLU 34 HG3 GLU 34 13.536 8.935 -17.141
220 H GLN 35 H GLN 35 15.331 11.403 -12.403
221 HA GLN 35 HA GLN 35 16.539 13.114 -11.581
222 HB2 GLN 35 HB2 GLN 35 18.764 11.904 -13.230
223 HB3 GLN 35 HB3 GLN 35 18.988 13.225 -12.090
224 HG2 GLN 35 HG2 GLN 35 18.164 11.765 -10.281
225 HG3 GLN 35 HG3 GLN 35 18.035 10.443 -11.439
226 HE21 GLN 35 HE21 GLN 35 20.188 12.474 -9.641
227 HE22 GLN 35 HE22 GLN 35 21.614 11.534 -9.886
228 H HIS 36 H HIS 36 15.058 13.260 -14.106
229 HA HIS 36 HA HIS 36 14.505 14.757 -15.718
230 HB2 HIS 36 HB2 HIS 36 16.113 16.754 -14.109
231 HB3 HIS 36 HB3 HIS 36 14.803 17.103 -15.226
232 HD1 HIS 36 HD1 HIS 36 12.528 17.360 -14.179
233 HD2 HIS 36 HD2 HIS 36 15.152 15.241 -11.748
234 HE1 HIS 36 HE1 HIS 36 11.333 17.027 -11.999
235 HA PRO 37 HA PRO 37 18.673 14.323 -17.803
236 HB2 PRO 37 HB2 PRO 37 17.631 13.102 -20.033
237 HB3 PRO 37 HB3 PRO 37 18.239 12.227 -18.625
238 HG2 PRO 37 HG2 PRO 37 15.427 12.915 -19.363
239 HG3 PRO 37 HG3 PRO 37 16.069 11.414 -18.669
240 HD2 PRO 37 HD2 PRO 37 14.780 13.243 -17.169
241 HD3 PRO 37 HD3 PRO 37 16.127 12.284 -16.528
242 H ASN 38 H ASN 38 15.536 15.006 -19.355
243 HA ASN 38 HA ASN 38 16.777 17.012 -21.077
244 HB2 ASN 38 HB2 ASN 38 15.085 15.464 -22.013
245 HB3 ASN 38 HB3 ASN 38 13.887 16.139 -20.912
246 HD21 ASN 38 HD21 ASN 38 16.041 16.890 -23.554
247 HD22 ASN 38 HD22 ASN 38 15.150 18.241 -24.136
248 H GLY 39 H GLY 39 15.065 16.766 -18.128
249 HA2 GLY 39 HA2 GLY 39 15.144 18.582 -16.567
250 HA3 GLY 39 HA3 GLY 39 15.117 19.695 -17.922
251 H GLU 40 H GLU 40 12.889 17.074 -18.098
252 HA GLU 40 HA GLU 40 10.665 18.784 -18.225
253 HB2 GLU 40 HB2 GLU 40 9.284 16.800 -18.246
254 HB3 GLU 40 HB3 GLU 40 10.714 16.513 -19.226
255 HG2 GLU 40 HG2 GLU 40 11.697 15.187 -17.463
256 HG3 GLU 40 HG3 GLU 40 10.353 15.572 -16.393
257 HA PRO 41 HA PRO 41 9.780 19.311 -13.924
258 HB2 PRO 41 HB2 PRO 41 7.362 20.438 -14.098
259 HB3 PRO 41 HB3 PRO 41 8.807 21.285 -14.666
260 HG2 PRO 41 HG2 PRO 41 6.749 19.789 -16.243
261 HG3 PRO 41 HG3 PRO 41 7.517 21.346 -16.601
262 HD2 PRO 41 HD2 PRO 41 8.295 18.953 -17.710
263 HD3 PRO 41 HD3 PRO 41 9.368 20.353 -17.517
264 H CYS 42 H CYS 42 8.614 18.331 -12.272
265 HA CYS 42 HA CYS 42 7.096 15.970 -13.020
266 HB2 CYS 42 HB2 CYS 42 7.346 15.363 -10.647
267 HB3 CYS 42 HB3 CYS 42 8.900 15.776 -11.357
268 HA PRO 43 HA PRO 43 3.160 17.786 -12.123
269 HB2 PRO 43 HB2 PRO 43 1.741 15.696 -11.181
270 HB3 PRO 43 HB3 PRO 43 2.270 15.793 -12.866
271 HG2 PRO 43 HG2 PRO 43 3.509 14.300 -10.579
272 HG3 PRO 43 HG3 PRO 43 3.187 13.740 -12.232
273 HD2 PRO 43 HD2 PRO 43 5.635 14.571 -11.443
274 HD3 PRO 43 HD3 PRO 43 5.034 14.820 -13.093
275 H ALA 44 H ALA 44 5.154 17.942 -9.867
276 HA ALA 44 HA ALA 44 3.496 17.615 -7.506
277 HB1 ALA 44 HB1 ALA 44 5.448 18.191 -6.238
278 HB2 ALA 44 HB2 ALA 44 6.280 18.745 -7.687
279 HB3 ALA 44 HB3 ALA 44 5.916 17.035 -7.487
280 HA PRO 45 HA PRO 45 1.858 21.761 -7.738
281 HB2 PRO 45 HB2 PRO 45 1.265 21.951 -5.029
282 HB3 PRO 45 HB3 PRO 45 0.206 21.243 -6.252
283 HG2 PRO 45 HG2 PRO 45 2.087 19.892 -4.361
284 HG3 PRO 45 HG3 PRO 45 0.460 19.398 -4.866
285 HD2 PRO 45 HD2 PRO 45 2.629 18.228 -5.876
286 HD3 PRO 45 HD3 PRO 45 1.217 18.562 -6.898
287 H ASP 46 H ASP 46 3.945 20.940 -4.949
288 HA ASP 46 HA ASP 46 4.957 23.689 -4.938
289 HB2 ASP 46 HB2 ASP 46 5.849 23.192 -2.734
290 HB3 ASP 46 HB3 ASP 46 4.156 22.725 -2.802
291 H CYS 47 H CYS 47 5.676 21.680 -6.948
292 HA CYS 47 HA CYS 47 8.087 20.427 -6.762
293 HB2 CYS 47 HB2 CYS 47 6.816 20.240 -8.764
294 HB3 CYS 47 HB3 CYS 47 6.886 21.972 -9.048
295 H HIS 48 H HIS 48 10.218 20.921 -6.820
296 HA HIS 48 HA HIS 48 11.192 23.476 -7.650
297 HB2 HIS 48 HB2 HIS 48 10.372 23.911 -5.275
298 HB3 HIS 48 HB3 HIS 48 11.656 22.836 -4.734
299 HD1 HIS 48 HD1 HIS 48 13.678 24.095 -4.029
300 HD2 HIS 48 HD2 HIS 48 11.633 26.037 -7.075
301 HE1 HIS 48 HE1 HIS 48 14.957 26.209 -4.462
302 HE2 HIS 48 HE2 HIS 48 13.852 27.211 -6.477
303 H CYS 49 H CYS 49 11.848 21.269 -8.801
304 HA CYS 49 HA CYS 49 14.087 19.900 -7.652
305 HB2 CYS 49 HB2 CYS 49 13.263 19.978 -10.556
306 HB3 CYS 49 HB3 CYS 49 14.201 18.730 -9.739
307 H GLU 50 H GLU 50 15.941 20.961 -7.326
308 HA GLU 50 HA GLU 50 16.739 23.102 -9.104
309 HB2 GLU 50 HB2 GLU 50 16.943 23.437 -6.690
310 HB3 GLU 50 HB3 GLU 50 18.019 22.052 -6.577
311 HG2 GLU 50 HG2 GLU 50 19.618 23.248 -8.047
312 HG3 GLU 50 HG3 GLU 50 18.556 24.654 -7.984
313 H ARG 51 H ARG 51 18.458 20.262 -7.727
314 HA ARG 51 HA ARG 51 20.244 20.378 -10.010
315 HB2 ARG 51 HB2 ARG 51 21.619 18.728 -8.942
316 HB3 ARG 51 HB3 ARG 51 21.163 19.914 -7.735
317 HG2 ARG 51 HG2 ARG 51 19.343 17.642 -7.830
318 HG3 ARG 51 HG3 ARG 51 21.010 17.181 -7.472
319 HD2 ARG 51 HD2 ARG 51 19.326 19.206 -6.008
320 HD3 ARG 51 HD3 ARG 51 19.819 17.621 -5.417
321 HE ARG 51 HE ARG 51 22.179 18.625 -5.724
322 HH11 ARG 51 HH11 ARG 51 19.331 20.389 -4.642
323 HH12 ARG 51 HH12 ARG 51 20.245 21.517 -3.704
324 HH21 ARG 51 HH21 ARG 51 23.376 20.122 -4.477
325 HH22 ARG 51 HH22 ARG 51 22.553 21.365 -3.596
326 H SER 52 H SER 52 20.448 18.909 -11.611
327 HA SER 52 HA SER 52 18.195 17.050 -11.888
328 HB2 SER 52 HB2 SER 52 19.995 18.182 -14.039
329 HB3 SER 52 HB3 SER 52 18.540 17.213 -14.288
330 HG SER 52 HG SER 52 18.063 19.359 -12.697
Start of MODEL 5
1 HA ASN 1 HA ASN 1 7.073 4.126 6.744
2 HB2 ASN 1 HB2 ASN 1 4.933 2.408 5.482
3 HB3 ASN 1 HB3 ASN 1 6.254 3.124 4.569
4 HD21 ASN 1 HD21 ASN 1 5.555 0.337 5.048
5 HD22 ASN 1 HD22 ASN 1 6.954 -0.386 5.761
6 H GLU 2 H GLU 2 7.137 5.754 5.254
7 HA GLU 2 HA GLU 2 4.599 7.056 4.596
8 HB2 GLU 2 HB2 GLU 2 5.819 8.256 6.447
9 HB3 GLU 2 HB3 GLU 2 7.130 8.547 5.311
10 HG2 GLU 2 HG2 GLU 2 5.565 10.459 5.602
11 HG3 GLU 2 HG3 GLU 2 5.744 9.907 3.937
12 H LEU 3 H LEU 3 4.598 8.149 2.573
13 HA LEU 3 HA LEU 3 6.720 7.142 0.791
14 HB2 LEU 3 HB2 LEU 3 4.371 6.120 0.683
15 HB3 LEU 3 HB3 LEU 3 3.872 7.641 -0.022
16 HG LEU 3 HG LEU 3 5.542 7.260 -1.852
17 HD11 LEU 3 HD11 LEU 3 6.382 4.974 -2.149
18 HD12 LEU 3 HD12 LEU 3 5.737 4.541 -0.566
19 HD13 LEU 3 HD13 LEU 3 7.030 5.734 -0.696
20 HD21 LEU 3 HD21 LEU 3 4.177 5.589 -3.011
21 HD22 LEU 3 HD22 LEU 3 3.175 6.765 -2.162
22 HD23 LEU 3 HD23 LEU 3 3.411 5.154 -1.483
23 H ARG 4 H ARG 4 7.920 8.725 -0.015
24 HA ARG 4 HA ARG 4 6.594 11.105 -1.073
25 HB2 ARG 4 HB2 ARG 4 8.341 12.607 -0.234
26 HB3 ARG 4 HB3 ARG 4 7.485 11.838 1.089
27 HG2 ARG 4 HG2 ARG 4 10.020 10.608 0.130
28 HG3 ARG 4 HG3 ARG 4 10.097 12.082 1.096
29 HD2 ARG 4 HD2 ARG 4 8.729 9.511 1.881
30 HD3 ARG 4 HD3 ARG 4 10.271 10.101 2.503
31 HE ARG 4 HE ARG 4 8.103 11.954 2.855
32 HH11 ARG 4 HH11 ARG 4 9.745 9.189 4.262
33 HH12 ARG 4 HH12 ARG 4 9.218 9.546 5.872
34 HH21 ARG 4 HH21 ARG 4 7.409 12.415 4.977
35 HH22 ARG 4 HH22 ARG 4 7.882 11.378 6.278
36 H CYS 5 H CYS 5 8.231 12.368 -2.495
37 HA CYS 5 HA CYS 5 9.189 10.488 -4.398
38 HB2 CYS 5 HB2 CYS 5 8.209 12.752 -4.939
39 HB3 CYS 5 HB3 CYS 5 9.720 13.460 -4.381
40 H GLY 6 H GLY 6 11.277 10.116 -5.089
41 HA2 GLY 6 HA2 GLY 6 13.247 9.988 -3.032
42 HA3 GLY 6 HA3 GLY 6 13.450 9.545 -4.722
43 H CYS 7 H CYS 7 12.494 12.277 -5.425
44 HA CYS 7 HA CYS 7 14.979 13.487 -5.808
45 HB2 CYS 7 HB2 CYS 7 12.515 13.886 -6.824
46 HB3 CYS 7 HB3 CYS 7 12.583 15.228 -5.691
47 HA PRO 8 HA PRO 8 15.351 14.868 -1.543
48 HB2 PRO 8 HB2 PRO 8 17.923 15.684 -1.706
49 HB3 PRO 8 HB3 PRO 8 17.471 13.979 -1.594
50 HG2 PRO 8 HG2 PRO 8 18.228 15.583 -4.003
51 HG3 PRO 8 HG3 PRO 8 18.712 13.937 -3.557
52 HD2 PRO 8 HD2 PRO 8 16.755 14.468 -5.369
53 HD3 PRO 8 HD3 PRO 8 16.755 13.011 -4.349
54 H ASP 9 H ASP 9 15.412 16.713 -4.387
55 HA ASP 9 HA ASP 9 15.688 19.206 -2.853
56 HB2 ASP 9 HB2 ASP 9 17.271 18.810 -4.784
57 HB3 ASP 9 HB3 ASP 9 15.878 18.915 -5.854
58 H CYS 10 H CYS 10 13.308 17.236 -3.840
59 HA CYS 10 HA CYS 10 11.451 19.466 -4.134
60 HB2 CYS 10 HB2 CYS 10 12.128 18.606 -6.415
61 HB3 CYS 10 HB3 CYS 10 11.361 17.082 -5.986
62 H HIS 11 H HIS 11 9.305 18.971 -3.561
63 HA HIS 11 HA HIS 11 8.941 16.399 -2.186
64 HB2 HIS 11 HB2 HIS 11 8.083 19.158 -1.365
65 HB3 HIS 11 HB3 HIS 11 7.171 17.753 -0.837
66 HD2 HIS 11 HD2 HIS 11 10.442 19.613 -0.024
67 HE1 HIS 11 HE1 HIS 11 10.209 16.228 2.518
68 HE2 HIS 11 HE2 HIS 11 11.233 18.495 2.167
69 H CYS 12 H CYS 12 7.932 15.327 -3.779
70 HA CYS 12 HA CYS 12 5.555 16.537 -4.988
71 HB2 CYS 12 HB2 CYS 12 6.712 13.921 -5.822
72 HB3 CYS 12 HB3 CYS 12 5.864 15.122 -6.787
73 H LYS 13 H LYS 13 3.565 15.573 -4.777
74 HA LYS 13 HA LYS 13 3.261 13.650 -2.709
75 HB2 LYS 13 HB2 LYS 13 0.817 13.599 -3.600
76 HB3 LYS 13 HB3 LYS 13 1.403 15.045 -2.812
77 HG2 LYS 13 HG2 LYS 13 0.177 15.802 -4.657
78 HG3 LYS 13 HG3 LYS 13 1.862 15.957 -5.138
79 HD2 LYS 13 HD2 LYS 13 0.505 15.061 -6.959
80 HD3 LYS 13 HD3 LYS 13 1.688 13.873 -6.418
81 HE2 LYS 13 HE2 LYS 13 -0.453 12.808 -6.815
82 HE3 LYS 13 HE3 LYS 13 -0.069 12.754 -5.099
83 HZ1 LYS 13 HZ1 LYS 13 -1.543 14.692 -4.797
84 HZ2 LYS 13 HZ2 LYS 13 -2.351 13.337 -5.406
85 HZ3 LYS 13 HZ3 LYS 13 -1.956 14.613 -6.436
86 H VAL 14 H VAL 14 3.376 11.545 -2.850
87 HA VAL 14 HA VAL 14 3.639 10.425 -5.544
88 HB VAL 14 HB VAL 14 4.731 9.351 -2.939
89 HG11 VAL 14 HG11 VAL 14 4.149 7.555 -4.499
90 HG12 VAL 14 HG12 VAL 14 5.896 7.707 -4.317
91 HG13 VAL 14 HG13 VAL 14 5.102 8.340 -5.760
92 HG21 VAL 14 HG21 VAL 14 6.111 10.605 -5.304
93 HG22 VAL 14 HG22 VAL 14 6.906 9.925 -3.884
94 HG23 VAL 14 HG23 VAL 14 5.880 11.350 -3.724
95 H ASP 15 H ASP 15 2.294 9.000 -6.247
96 HA ASP 15 HA ASP 15 0.058 8.192 -4.603
97 HB2 ASP 15 HB2 ASP 15 -0.157 9.001 -6.973
98 HB3 ASP 15 HB3 ASP 15 0.647 7.525 -7.474
99 HA PRO 16 HA PRO 16 1.974 4.355 -3.568
100 HB2 PRO 16 HB2 PRO 16 -0.271 2.966 -2.847
101 HB3 PRO 16 HB3 PRO 16 0.521 4.155 -1.808
102 HG2 PRO 16 HG2 PRO 16 -1.877 4.474 -3.568
103 HG3 PRO 16 HG3 PRO 16 -1.602 5.089 -1.929
104 HD2 PRO 16 HD2 PRO 16 -1.351 6.659 -4.104
105 HD3 PRO 16 HD3 PRO 16 -0.319 6.863 -2.673
106 H GLU 17 H GLU 17 -0.444 4.631 -6.037
107 HA GLU 17 HA GLU 17 0.167 1.912 -6.945
108 HB2 GLU 17 HB2 GLU 17 -2.204 2.398 -6.734
109 HB3 GLU 17 HB3 GLU 17 -2.034 3.807 -7.771
110 HG2 GLU 17 HG2 GLU 17 -1.514 2.428 -9.657
111 HG3 GLU 17 HG3 GLU 17 -1.500 0.980 -8.649
112 H ARG 18 H ARG 18 0.627 5.254 -7.725
113 HA ARG 18 HA ARG 18 1.630 4.499 -10.398
114 HB2 ARG 18 HB2 ARG 18 0.661 7.121 -9.320
115 HB3 ARG 18 HB3 ARG 18 1.557 6.999 -10.821
116 HG2 ARG 18 HG2 ARG 18 -0.156 5.665 -11.808
117 HG3 ARG 18 HG3 ARG 18 -1.020 5.564 -10.269
118 HD2 ARG 18 HD2 ARG 18 -1.901 7.256 -11.903
119 HD3 ARG 18 HD3 ARG 18 -1.522 7.848 -10.284
120 HE ARG 18 HE ARG 18 0.702 8.530 -11.371
121 HH11 ARG 18 HH11 ARG 18 -2.355 8.572 -13.110
122 HH12 ARG 18 HH12 ARG 18 -1.901 9.912 -14.097
123 HH21 ARG 18 HH21 ARG 18 1.286 10.281 -12.682
124 HH22 ARG 18 HH22 ARG 18 0.178 10.888 -13.868
125 H VAL 19 H VAL 19 2.863 4.581 -7.653
126 HA VAL 19 HA VAL 19 4.955 6.460 -7.699
127 HB VAL 19 HB VAL 19 4.480 5.529 -5.592
128 HG11 VAL 19 HG11 VAL 19 3.422 3.476 -6.263
129 HG12 VAL 19 HG12 VAL 19 4.687 3.134 -5.077
130 HG13 VAL 19 HG13 VAL 19 4.971 2.810 -6.790
131 HG21 VAL 19 HG21 VAL 19 6.607 4.551 -4.859
132 HG22 VAL 19 HG22 VAL 19 6.828 5.960 -5.895
133 HG23 VAL 19 HG23 VAL 19 7.072 4.337 -6.546
134 H PHE 20 H PHE 20 6.747 6.582 -8.783
135 HA PHE 20 HA PHE 20 7.558 4.470 -10.587
136 HB2 PHE 20 HB2 PHE 20 7.648 7.243 -10.645
137 HB3 PHE 20 HB3 PHE 20 9.318 6.786 -10.347
138 HD1 PHE 20 HD1 PHE 20 6.581 6.760 -12.679
139 HD2 PHE 20 HD2 PHE 20 10.570 5.511 -11.998
140 HE1 PHE 20 HE1 PHE 20 6.837 6.303 -15.090
141 HE2 PHE 20 HE2 PHE 20 10.850 5.052 -14.399
142 HZ PHE 20 HZ PHE 20 8.979 5.448 -15.949
143 H ASN 21 H ASN 21 8.883 2.901 -9.852
144 HA ASN 21 HA ASN 21 10.524 3.411 -7.507
145 HB2 ASN 21 HB2 ASN 21 9.321 1.299 -7.548
146 HB3 ASN 21 HB3 ASN 21 10.082 0.863 -9.074
147 HD21 ASN 21 HD21 ASN 21 12.251 0.232 -9.087
148 HD22 ASN 21 HD22 ASN 21 13.081 -0.235 -7.645
149 H HIS 22 H HIS 22 12.519 4.045 -7.619
150 HA HIS 22 HA HIS 22 14.238 3.073 -9.770
151 HB2 HIS 22 HB2 HIS 22 13.439 5.276 -10.542
152 HB3 HIS 22 HB3 HIS 22 13.974 6.004 -9.037
153 HD2 HIS 22 HD2 HIS 22 16.769 6.406 -8.830
154 HE1 HIS 22 HE1 HIS 22 17.591 5.437 -12.873
155 HE2 HIS 22 HE2 HIS 22 18.443 6.562 -10.794
156 H ASP 23 H ASP 23 16.009 2.246 -8.864
157 HA ASP 23 HA ASP 23 17.747 1.872 -7.433
158 HB2 ASP 23 HB2 ASP 23 18.272 4.248 -7.855
159 HB3 ASP 23 HB3 ASP 23 17.183 4.725 -6.564
160 H GLY 24 H GLY 24 14.838 1.531 -6.682
161 HA2 GLY 24 HA2 GLY 24 13.883 0.371 -4.902
162 HA3 GLY 24 HA3 GLY 24 15.313 0.722 -3.940
163 H GLU 25 H GLU 25 14.452 3.566 -5.281
164 HA GLU 25 HA GLU 25 13.082 4.406 -2.845
165 HB2 GLU 25 HB2 GLU 25 15.132 5.614 -3.582
166 HB3 GLU 25 HB3 GLU 25 14.302 6.044 -5.065
167 HG2 GLU 25 HG2 GLU 25 14.347 7.893 -3.500
168 HG3 GLU 25 HG3 GLU 25 12.699 7.362 -3.828
169 H ALA 26 H ALA 26 11.346 6.003 -3.113
170 HA ALA 26 HA ALA 26 9.555 5.181 -5.290
171 HB1 ALA 26 HB1 ALA 26 7.741 5.967 -3.867
172 HB2 ALA 26 HB2 ALA 26 8.909 6.528 -2.672
173 HB3 ALA 26 HB3 ALA 26 8.750 4.804 -3.008
174 H TYR 27 H TYR 27 8.922 6.602 -6.797
175 HA TYR 27 HA TYR 27 9.489 9.450 -6.331
176 HB2 TYR 27 HB2 TYR 27 9.979 7.835 -8.830
177 HB3 TYR 27 HB3 TYR 27 9.978 9.591 -8.800
178 HD1 TYR 27 HD1 TYR 27 11.727 6.577 -7.553
179 HD2 TYR 27 HD2 TYR 27 11.865 10.793 -8.044
180 HE1 TYR 27 HE1 TYR 27 14.114 6.564 -6.970
181 HE2 TYR 27 HE2 TYR 27 14.246 10.791 -7.469
182 HH TYR 27 HH TYR 27 16.089 7.890 -7.198
183 H CYS 28 H CYS 28 8.178 10.902 -7.589
184 HA CYS 28 HA CYS 28 5.432 10.106 -7.641
185 HB2 CYS 28 HB2 CYS 28 5.067 12.404 -8.457
186 HB3 CYS 28 HB3 CYS 28 6.098 12.360 -7.027
187 H SER 29 H SER 29 7.862 10.888 -10.078
188 HA SER 29 HA SER 29 6.436 9.388 -12.085
189 HB2 SER 29 HB2 SER 29 5.408 11.688 -12.134
190 HB3 SER 29 HB3 SER 29 6.998 12.336 -12.528
191 HG SER 29 HG SER 29 5.346 10.629 -14.067
192 H GLN 30 H GLN 30 7.797 10.005 -14.302
193 HA GLN 30 HA GLN 30 10.312 8.833 -13.722
194 HB2 GLN 30 HB2 GLN 30 10.700 8.940 -16.179
195 HB3 GLN 30 HB3 GLN 30 9.227 8.119 -15.699
196 HG2 GLN 30 HG2 GLN 30 8.324 9.347 -17.343
197 HG3 GLN 30 HG3 GLN 30 8.272 10.595 -16.102
198 HE21 GLN 30 HE21 GLN 30 9.556 12.382 -16.312
199 HE22 GLN 30 HE22 GLN 30 10.546 12.687 -17.696
200 H ALA 31 H ALA 31 9.352 12.136 -14.120
201 HA ALA 31 HA ALA 31 11.726 13.277 -15.073
202 HB1 ALA 31 HB1 ALA 31 9.776 14.440 -13.081
203 HB2 ALA 31 HB2 ALA 31 9.681 14.577 -14.840
204 HB3 ALA 31 HB3 ALA 31 11.001 15.349 -13.966
205 H CYS 32 H CYS 32 10.744 13.012 -11.664
206 HA CYS 32 HA CYS 32 13.304 13.695 -10.683
207 HB2 CYS 32 HB2 CYS 32 10.984 12.310 -9.342
208 HB3 CYS 32 HB3 CYS 32 12.386 12.977 -8.509
209 H ALA 33 H ALA 33 11.722 10.677 -11.423
210 HA ALA 33 HA ALA 33 13.423 8.945 -9.992
211 HB1 ALA 33 HB1 ALA 33 11.859 8.316 -12.492
212 HB2 ALA 33 HB2 ALA 33 11.213 8.284 -10.851
213 HB3 ALA 33 HB3 ALA 33 12.484 7.156 -11.320
214 H GLU 34 H GLU 34 13.503 10.096 -13.313
215 HA GLU 34 HA GLU 34 15.899 8.576 -13.893
216 HB2 GLU 34 HB2 GLU 34 14.420 10.592 -15.589
217 HB3 GLU 34 HB3 GLU 34 15.715 9.542 -16.140
218 HG2 GLU 34 HG2 GLU 34 12.995 8.685 -15.174
219 HG3 GLU 34 HG3 GLU 34 13.574 8.674 -16.838
220 H GLN 35 H GLN 35 15.502 11.126 -12.065
221 HA GLN 35 HA GLN 35 16.851 12.719 -11.219
222 HB2 GLN 35 HB2 GLN 35 18.965 11.504 -13.002
223 HB3 GLN 35 HB3 GLN 35 19.268 12.663 -11.716
224 HG2 GLN 35 HG2 GLN 35 18.047 9.940 -11.306
225 HG3 GLN 35 HG3 GLN 35 19.754 10.315 -11.104
226 HE21 GLN 35 HE21 GLN 35 19.726 9.725 -8.944
227 HE22 GLN 35 HE22 GLN 35 18.966 10.686 -7.722
228 H HIS 36 H HIS 36 15.363 13.018 -13.776
229 HA HIS 36 HA HIS 36 14.876 14.615 -15.293
230 HB2 HIS 36 HB2 HIS 36 16.708 16.385 -13.651
231 HB3 HIS 36 HB3 HIS 36 15.487 16.930 -14.794
232 HD1 HIS 36 HD1 HIS 36 13.245 17.450 -13.802
233 HD2 HIS 36 HD2 HIS 36 15.464 14.916 -11.367
234 HE1 HIS 36 HE1 HIS 36 11.924 17.212 -11.680
235 HA PRO 37 HA PRO 37 18.755 13.806 -17.645
236 HB2 PRO 37 HB2 PRO 37 17.543 12.712 -19.805
237 HB3 PRO 37 HB3 PRO 37 17.928 11.779 -18.355
238 HG2 PRO 37 HG2 PRO 37 15.323 12.979 -19.201
239 HG3 PRO 37 HG3 PRO 37 15.643 11.391 -18.481
240 HD2 PRO 37 HD2 PRO 37 14.712 13.514 -17.056
241 HD3 PRO 37 HD3 PRO 37 15.721 12.238 -16.346
242 H ASN 38 H ASN 38 15.711 15.261 -18.661
243 HA ASN 38 HA ASN 38 17.066 16.757 -20.797
244 HB2 ASN 38 HB2 ASN 38 14.960 15.586 -21.337
245 HB3 ASN 38 HB3 ASN 38 14.128 16.521 -20.103
246 HD21 ASN 38 HD21 ASN 38 16.559 17.778 -22.313
247 HD22 ASN 38 HD22 ASN 38 15.488 18.820 -23.172
248 H GLY 39 H GLY 39 15.695 17.112 -17.655
249 HA2 GLY 39 HA2 GLY 39 16.215 19.007 -16.274
250 HA3 GLY 39 HA3 GLY 39 16.299 19.999 -17.732
251 H GLU 40 H GLU 40 13.891 17.619 -17.244
252 HA GLU 40 HA GLU 40 11.799 19.560 -17.584
253 HB2 GLU 40 HB2 GLU 40 10.334 17.552 -17.704
254 HB3 GLU 40 HB3 GLU 40 11.645 17.523 -18.871
255 HG2 GLU 40 HG2 GLU 40 11.803 16.067 -16.241
256 HG3 GLU 40 HG3 GLU 40 11.062 15.351 -17.665
257 HA PRO 41 HA PRO 41 11.058 19.738 -13.134
258 HB2 PRO 41 HB2 PRO 41 8.695 21.291 -13.980
259 HB3 PRO 41 HB3 PRO 41 10.023 21.775 -12.922
260 HG2 PRO 41 HG2 PRO 41 9.750 22.788 -15.393
261 HG3 PRO 41 HG3 PRO 41 11.342 22.484 -14.678
262 HD2 PRO 41 HD2 PRO 41 9.831 20.869 -16.693
263 HD3 PRO 41 HD3 PRO 41 11.565 21.251 -16.615
264 H CYS 42 H CYS 42 9.713 18.479 -11.891
265 HA CYS 42 HA CYS 42 8.101 16.589 -13.291
266 HB2 CYS 42 HB2 CYS 42 7.752 15.613 -11.063
267 HB3 CYS 42 HB3 CYS 42 9.451 15.960 -11.355
268 HA PRO 43 HA PRO 43 4.134 18.504 -12.883
269 HB2 PRO 43 HB2 PRO 43 2.478 16.403 -12.649
270 HB3 PRO 43 HB3 PRO 43 3.389 16.706 -14.135
271 HG2 PRO 43 HG2 PRO 43 3.990 14.799 -11.904
272 HG3 PRO 43 HG3 PRO 43 4.062 14.527 -13.654
273 HD2 PRO 43 HD2 PRO 43 6.252 15.067 -12.150
274 HD3 PRO 43 HD3 PRO 43 6.113 15.533 -13.855
275 H ALA 44 H ALA 44 5.568 18.407 -10.357
276 HA ALA 44 HA ALA 44 3.502 17.696 -8.424
277 HB1 ALA 44 HB1 ALA 44 6.323 18.668 -7.964
278 HB2 ALA 44 HB2 ALA 44 5.800 16.985 -7.958
279 HB3 ALA 44 HB3 ALA 44 5.205 18.097 -6.727
280 HA PRO 45 HA PRO 45 2.027 21.885 -8.244
281 HB2 PRO 45 HB2 PRO 45 0.841 21.751 -5.781
282 HB3 PRO 45 HB3 PRO 45 0.114 21.085 -7.248
283 HG2 PRO 45 HG2 PRO 45 1.691 19.690 -5.118
284 HG3 PRO 45 HG3 PRO 45 0.183 19.176 -5.905
285 HD2 PRO 45 HD2 PRO 45 2.550 18.158 -6.625
286 HD3 PRO 45 HD3 PRO 45 1.290 18.491 -7.833
287 H ASP 46 H ASP 46 3.987 20.437 -5.757
288 HA ASP 46 HA ASP 46 4.806 23.096 -4.781
289 HB2 ASP 46 HB2 ASP 46 3.880 21.536 -3.081
290 HB3 ASP 46 HB3 ASP 46 5.139 20.377 -3.477
291 H CYS 47 H CYS 47 5.691 21.500 -7.204
292 HA CYS 47 HA CYS 47 8.194 20.386 -6.921
293 HB2 CYS 47 HB2 CYS 47 6.996 20.246 -9.009
294 HB3 CYS 47 HB3 CYS 47 7.132 21.987 -9.240
295 H HIS 48 H HIS 48 10.232 21.047 -6.859
296 HA HIS 48 HA HIS 48 10.794 23.937 -6.876
297 HB2 HIS 48 HB2 HIS 48 10.677 23.262 -4.539
298 HB3 HIS 48 HB3 HIS 48 11.750 21.903 -4.839
299 HD1 HIS 48 HD1 HIS 48 11.818 25.694 -4.696
300 HD2 HIS 48 HD2 HIS 48 14.422 22.460 -4.554
301 HE1 HIS 48 HE1 HIS 48 14.058 26.651 -4.081
302 HE2 HIS 48 HE2 HIS 48 15.642 24.703 -4.183
303 H CYS 49 H CYS 49 11.419 20.966 -8.194
304 HA CYS 49 HA CYS 49 14.236 21.566 -8.741
305 HB2 CYS 49 HB2 CYS 49 14.388 19.196 -9.386
306 HB3 CYS 49 HB3 CYS 49 13.843 19.403 -7.722
307 H GLU 50 H GLU 50 14.935 20.701 -10.926
308 HA GLU 50 HA GLU 50 13.164 20.420 -13.056
309 HB2 GLU 50 HB2 GLU 50 13.810 22.587 -14.286
310 HB3 GLU 50 HB3 GLU 50 12.592 22.700 -13.028
311 HG2 GLU 50 HG2 GLU 50 14.438 23.458 -11.479
312 HG3 GLU 50 HG3 GLU 50 15.463 23.583 -12.909
313 H ARG 51 H ARG 51 16.252 22.163 -12.860
314 HA ARG 51 HA ARG 51 17.436 20.154 -14.605
315 HB2 ARG 51 HB2 ARG 51 19.365 21.669 -14.717
316 HB3 ARG 51 HB3 ARG 51 17.879 22.496 -15.161
317 HG2 ARG 51 HG2 ARG 51 17.920 23.850 -13.329
318 HG3 ARG 51 HG3 ARG 51 18.750 22.656 -12.331
319 HD2 ARG 51 HD2 ARG 51 20.040 24.158 -14.603
320 HD3 ARG 51 HD3 ARG 51 20.134 24.649 -12.911
321 HE ARG 51 HE ARG 51 20.965 21.937 -13.286
322 HH11 ARG 51 HH11 ARG 51 22.069 25.255 -13.627
323 HH12 ARG 51 HH12 ARG 51 23.729 24.852 -13.357
324 HH21 ARG 51 HH21 ARG 51 23.137 21.403 -12.946
325 HH22 ARG 51 HH22 ARG 51 24.350 22.655 -12.968
326 H SER 52 H SER 52 19.550 19.264 -14.021
327 HA SER 52 HA SER 52 20.072 19.237 -11.140
328 HB2 SER 52 HB2 SER 52 20.616 16.756 -11.411
329 HB3 SER 52 HB3 SER 52 18.907 17.190 -11.452
330 HG SER 52 HG SER 52 19.229 15.844 -13.162
Start of MODEL 6
1 HA ASN 1 HA ASN 1 2.032 4.379 4.269
2 HB2 ASN 1 HB2 ASN 1 0.663 3.843 2.216
3 HB3 ASN 1 HB3 ASN 1 1.249 5.337 1.503
4 HD21 ASN 1 HD21 ASN 1 1.590 2.637 0.548
5 HD22 ASN 1 HD22 ASN 1 3.290 2.345 0.479
6 H GLU 2 H GLU 2 3.799 5.406 4.926
7 HA GLU 2 HA GLU 2 4.263 8.166 4.261
8 HB2 GLU 2 HB2 GLU 2 5.923 6.177 5.812
9 HB3 GLU 2 HB3 GLU 2 6.356 7.865 5.597
10 HG2 GLU 2 HG2 GLU 2 4.226 8.485 6.716
11 HG3 GLU 2 HG3 GLU 2 3.961 6.775 7.048
12 H LEU 3 H LEU 3 4.368 7.855 1.944
13 HA LEU 3 HA LEU 3 6.994 6.856 1.071
14 HB2 LEU 3 HB2 LEU 3 4.950 5.524 0.359
15 HB3 LEU 3 HB3 LEU 3 4.494 6.915 -0.603
16 HG LEU 3 HG LEU 3 6.607 6.688 -1.879
17 HD11 LEU 3 HD11 LEU 3 7.972 5.588 -0.207
18 HD12 LEU 3 HD12 LEU 3 7.880 4.593 -1.660
19 HD13 LEU 3 HD13 LEU 3 6.918 4.175 -0.243
20 HD21 LEU 3 HD21 LEU 3 5.926 4.700 -3.130
21 HD22 LEU 3 HD22 LEU 3 4.536 5.700 -2.707
22 HD23 LEU 3 HD23 LEU 3 4.869 4.224 -1.802
23 H ARG 4 H ARG 4 8.259 8.498 0.512
24 HA ARG 4 HA ARG 4 6.998 10.874 -0.677
25 HB2 ARG 4 HB2 ARG 4 9.632 10.708 0.810
26 HB3 ARG 4 HB3 ARG 4 8.988 12.154 0.051
27 HG2 ARG 4 HG2 ARG 4 8.445 12.467 2.268
28 HG3 ARG 4 HG3 ARG 4 6.959 11.771 1.618
29 HD2 ARG 4 HD2 ARG 4 7.731 9.545 2.388
30 HD3 ARG 4 HD3 ARG 4 9.128 10.330 3.122
31 HE ARG 4 HE ARG 4 6.643 11.436 3.988
32 HH11 ARG 4 HH11 ARG 4 8.987 8.884 4.515
33 HH12 ARG 4 HH12 ARG 4 8.478 8.582 6.142
34 HH21 ARG 4 HH21 ARG 4 5.972 11.043 6.143
35 HH22 ARG 4 HH22 ARG 4 6.745 9.803 7.074
36 H CYS 5 H CYS 5 8.541 12.089 -2.135
37 HA CYS 5 HA CYS 5 9.368 10.314 -4.200
38 HB2 CYS 5 HB2 CYS 5 8.297 12.514 -4.607
39 HB3 CYS 5 HB3 CYS 5 9.730 13.306 -3.961
40 H GLY 6 H GLY 6 11.469 10.108 -5.025
41 HA2 GLY 6 HA2 GLY 6 13.510 9.885 -3.089
42 HA3 GLY 6 HA3 GLY 6 13.697 9.700 -4.827
43 H CYS 7 H CYS 7 12.658 12.384 -5.332
44 HA CYS 7 HA CYS 7 15.079 13.807 -5.346
45 HB2 CYS 7 HB2 CYS 7 12.503 14.116 -6.436
46 HB3 CYS 7 HB3 CYS 7 12.773 15.558 -5.467
47 HA PRO 8 HA PRO 8 14.716 14.965 -0.994
48 HB2 PRO 8 HB2 PRO 8 17.281 15.610 -0.599
49 HB3 PRO 8 HB3 PRO 8 16.775 13.927 -0.784
50 HG2 PRO 8 HG2 PRO 8 18.041 15.754 -2.785
51 HG3 PRO 8 HG3 PRO 8 18.372 14.042 -2.468
52 HD2 PRO 8 HD2 PRO 8 16.784 14.963 -4.524
53 HD3 PRO 8 HD3 PRO 8 16.651 13.343 -3.807
54 H ASP 9 H ASP 9 15.436 16.874 -3.676
55 HA ASP 9 HA ASP 9 15.680 19.325 -2.090
56 HB2 ASP 9 HB2 ASP 9 17.286 18.816 -3.975
57 HB3 ASP 9 HB3 ASP 9 15.937 19.019 -5.084
58 H CYS 10 H CYS 10 13.358 17.470 -3.633
59 HA CYS 10 HA CYS 10 11.624 19.807 -4.030
60 HB2 CYS 10 HB2 CYS 10 12.305 18.648 -6.137
61 HB3 CYS 10 HB3 CYS 10 11.509 17.196 -5.542
62 H HIS 11 H HIS 11 9.304 19.363 -3.751
63 HA HIS 11 HA HIS 11 8.806 17.201 -1.816
64 HB2 HIS 11 HB2 HIS 11 7.594 19.975 -1.842
65 HB3 HIS 11 HB3 HIS 11 7.068 18.668 -0.789
66 HD2 HIS 11 HD2 HIS 11 9.867 21.322 -1.039
67 HE1 HIS 11 HE1 HIS 11 10.534 19.060 2.482
68 HE2 HIS 11 HE2 HIS 11 11.120 21.150 1.214
69 H CYS 12 H CYS 12 7.935 15.734 -3.172
70 HA CYS 12 HA CYS 12 5.672 16.578 -4.849
71 HB2 CYS 12 HB2 CYS 12 7.162 13.984 -5.083
72 HB3 CYS 12 HB3 CYS 12 6.135 14.762 -6.275
73 H LYS 13 H LYS 13 3.903 15.094 -5.035
74 HA LYS 13 HA LYS 13 3.484 13.535 -2.611
75 HB2 LYS 13 HB2 LYS 13 1.053 13.562 -3.382
76 HB3 LYS 13 HB3 LYS 13 1.726 15.090 -2.852
77 HG2 LYS 13 HG2 LYS 13 0.651 15.805 -4.716
78 HG3 LYS 13 HG3 LYS 13 2.194 15.378 -5.444
79 HD2 LYS 13 HD2 LYS 13 0.430 14.500 -6.816
80 HD3 LYS 13 HD3 LYS 13 1.230 13.147 -6.014
81 HE2 LYS 13 HE2 LYS 13 -1.203 12.895 -5.985
82 HE3 LYS 13 HE3 LYS 13 -0.559 13.059 -4.356
83 HZ1 LYS 13 HZ1 LYS 13 -1.813 15.236 -5.940
84 HZ2 LYS 13 HZ2 LYS 13 -1.223 15.380 -4.365
85 HZ3 LYS 13 HZ3 LYS 13 -2.547 14.385 -4.681
86 H VAL 14 H VAL 14 3.651 11.411 -2.733
87 HA VAL 14 HA VAL 14 3.905 10.259 -5.414
88 HB VAL 14 HB VAL 14 4.962 9.247 -2.779
89 HG11 VAL 14 HG11 VAL 14 4.403 7.410 -4.296
90 HG12 VAL 14 HG12 VAL 14 6.146 7.567 -4.080
91 HG13 VAL 14 HG13 VAL 14 5.384 8.157 -5.560
92 HG21 VAL 14 HG21 VAL 14 6.114 11.228 -3.596
93 HG22 VAL 14 HG22 VAL 14 6.368 10.443 -5.155
94 HG23 VAL 14 HG23 VAL 14 7.148 9.803 -3.709
95 H ASP 15 H ASP 15 2.502 8.893 -6.134
96 HA ASP 15 HA ASP 15 0.341 7.960 -4.472
97 HB2 ASP 15 HB2 ASP 15 0.095 8.684 -6.878
98 HB3 ASP 15 HB3 ASP 15 0.965 7.225 -7.325
99 HA PRO 16 HA PRO 16 2.657 4.358 -3.286
100 HB2 PRO 16 HB2 PRO 16 0.025 3.239 -2.544
101 HB3 PRO 16 HB3 PRO 16 1.456 3.502 -1.543
102 HG2 PRO 16 HG2 PRO 16 -0.702 5.061 -1.304
103 HG3 PRO 16 HG3 PRO 16 0.936 5.718 -1.143
104 HD2 PRO 16 HD2 PRO 16 -0.948 5.871 -3.463
105 HD3 PRO 16 HD3 PRO 16 0.135 7.113 -2.797
106 H GLU 17 H GLU 17 -0.047 4.220 -5.483
107 HA GLU 17 HA GLU 17 0.753 1.503 -6.262
108 HB2 GLU 17 HB2 GLU 17 -1.611 1.756 -5.765
109 HB3 GLU 17 HB3 GLU 17 -1.737 3.084 -6.908
110 HG2 GLU 17 HG2 GLU 17 -1.315 1.615 -8.747
111 HG3 GLU 17 HG3 GLU 17 -1.021 0.260 -7.653
112 H ARG 18 H ARG 18 0.685 4.772 -7.297
113 HA ARG 18 HA ARG 18 1.471 3.980 -10.035
114 HB2 ARG 18 HB2 ARG 18 0.343 6.603 -9.049
115 HB3 ARG 18 HB3 ARG 18 0.732 6.213 -10.718
116 HG2 ARG 18 HG2 ARG 18 -1.070 4.806 -10.955
117 HG3 ARG 18 HG3 ARG 18 -1.186 4.491 -9.222
118 HD2 ARG 18 HD2 ARG 18 -1.975 6.748 -8.852
119 HD3 ARG 18 HD3 ARG 18 -1.834 7.101 -10.574
120 HE ARG 18 HE ARG 18 -3.544 5.259 -10.842
121 HH11 ARG 18 HH11 ARG 18 -3.370 7.184 -7.890
122 HH12 ARG 18 HH12 ARG 18 -5.068 7.075 -7.581
123 HH21 ARG 18 HH21 ARG 18 -5.787 5.103 -10.401
124 HH22 ARG 18 HH22 ARG 18 -6.447 5.871 -9.000
125 H VAL 19 H VAL 19 3.229 3.960 -7.842
126 HA VAL 19 HA VAL 19 4.892 6.324 -8.032
127 HB VAL 19 HB VAL 19 4.654 5.436 -5.829
128 HG11 VAL 19 HG11 VAL 19 5.591 2.793 -6.932
129 HG12 VAL 19 HG12 VAL 19 3.969 3.184 -6.354
130 HG13 VAL 19 HG13 VAL 19 5.323 3.148 -5.225
131 HG21 VAL 19 HG21 VAL 19 7.370 4.716 -6.915
132 HG22 VAL 19 HG22 VAL 19 6.974 4.882 -5.205
133 HG23 VAL 19 HG23 VAL 19 6.862 6.281 -6.276
134 H PHE 20 H PHE 20 6.787 6.488 -9.096
135 HA PHE 20 HA PHE 20 7.590 4.276 -10.806
136 HB2 PHE 20 HB2 PHE 20 8.304 7.191 -10.692
137 HB3 PHE 20 HB3 PHE 20 9.313 6.063 -11.586
138 HD1 PHE 20 HD1 PHE 20 6.336 8.033 -11.600
139 HD2 PHE 20 HD2 PHE 20 8.257 4.735 -13.458
140 HE1 PHE 20 HE1 PHE 20 4.820 8.248 -13.529
141 HE2 PHE 20 HE2 PHE 20 6.752 4.939 -15.394
142 HZ PHE 20 HZ PHE 20 5.030 6.699 -15.431
143 H ASN 21 H ASN 21 9.028 2.876 -10.067
144 HA ASN 21 HA ASN 21 10.729 3.639 -7.823
145 HB2 ASN 21 HB2 ASN 21 11.151 1.277 -7.520
146 HB3 ASN 21 HB3 ASN 21 9.419 1.512 -7.723
147 HD21 ASN 21 HD21 ASN 21 12.285 0.132 -9.027
148 HD22 ASN 21 HD22 ASN 21 11.543 -0.719 -10.335
149 H HIS 22 H HIS 22 12.905 3.764 -7.920
150 HA HIS 22 HA HIS 22 14.373 2.672 -10.134
151 HB2 HIS 22 HB2 HIS 22 13.624 4.772 -11.152
152 HB3 HIS 22 HB3 HIS 22 14.263 5.682 -9.792
153 HD2 HIS 22 HD2 HIS 22 16.791 6.578 -10.198
154 HE1 HIS 22 HE1 HIS 22 17.859 3.956 -13.350
155 HE2 HIS 22 HE2 HIS 22 18.594 5.886 -11.920
156 H ASP 23 H ASP 23 16.205 1.934 -9.384
157 HA ASP 23 HA ASP 23 18.031 1.556 -8.106
158 HB2 ASP 23 HB2 ASP 23 18.537 3.949 -8.721
159 HB3 ASP 23 HB3 ASP 23 17.795 4.442 -7.206
160 H GLY 24 H GLY 24 15.239 1.348 -7.050
161 HA2 GLY 24 HA2 GLY 24 14.492 0.285 -5.107
162 HA3 GLY 24 HA3 GLY 24 15.993 0.734 -4.310
163 H GLU 25 H GLU 25 14.950 3.445 -5.768
164 HA GLU 25 HA GLU 25 13.723 4.392 -3.289
165 HB2 GLU 25 HB2 GLU 25 15.840 5.433 -4.324
166 HB3 GLU 25 HB3 GLU 25 14.749 6.091 -5.534
167 HG2 GLU 25 HG2 GLU 25 13.639 7.430 -3.968
168 HG3 GLU 25 HG3 GLU 25 14.357 6.569 -2.605
169 H ALA 26 H ALA 26 11.919 5.813 -3.446
170 HA ALA 26 HA ALA 26 10.111 5.037 -5.614
171 HB1 ALA 26 HB1 ALA 26 8.330 5.800 -4.091
172 HB2 ALA 26 HB2 ALA 26 9.557 6.231 -2.903
173 HB3 ALA 26 HB3 ALA 26 9.340 4.546 -3.374
174 H TYR 27 H TYR 27 9.095 6.535 -6.901
175 HA TYR 27 HA TYR 27 9.684 9.361 -6.400
176 HB2 TYR 27 HB2 TYR 27 10.076 7.935 -9.027
177 HB3 TYR 27 HB3 TYR 27 10.141 9.679 -8.810
178 HD1 TYR 27 HD1 TYR 27 11.924 6.555 -8.508
179 HD2 TYR 27 HD2 TYR 27 11.962 10.670 -7.439
180 HE1 TYR 27 HE1 TYR 27 14.325 6.401 -7.999
181 HE2 TYR 27 HE2 TYR 27 14.353 10.523 -6.939
182 HH TYR 27 HH TYR 27 15.939 8.623 -6.216
183 H CYS 28 H CYS 28 8.247 10.814 -7.303
184 HA CYS 28 HA CYS 28 5.536 9.964 -7.460
185 HB2 CYS 28 HB2 CYS 28 5.133 12.330 -7.996
186 HB3 CYS 28 HB3 CYS 28 6.226 12.160 -6.622
187 H SER 29 H SER 29 7.936 11.063 -9.758
188 HA SER 29 HA SER 29 6.353 10.094 -12.013
189 HB2 SER 29 HB2 SER 29 5.935 12.516 -11.795
190 HB3 SER 29 HB3 SER 29 7.671 12.813 -11.773
191 HG SER 29 HG SER 29 5.983 12.301 -13.873
192 H GLN 30 H GLN 30 7.775 10.043 -14.001
193 HA GLN 30 HA GLN 30 10.197 8.724 -13.369
194 HB2 GLN 30 HB2 GLN 30 10.561 8.639 -15.826
195 HB3 GLN 30 HB3 GLN 30 9.009 8.001 -15.316
196 HG2 GLN 30 HG2 GLN 30 9.156 10.835 -16.147
197 HG3 GLN 30 HG3 GLN 30 9.249 9.595 -17.406
198 HE21 GLN 30 HE21 GLN 30 7.263 11.329 -15.242
199 HE22 GLN 30 HE22 GLN 30 5.762 10.569 -15.643
200 H ALA 31 H ALA 31 9.391 12.007 -13.853
201 HA ALA 31 HA ALA 31 11.767 13.059 -14.885
202 HB1 ALA 31 HB1 ALA 31 9.867 14.305 -12.898
203 HB2 ALA 31 HB2 ALA 31 9.728 14.380 -14.655
204 HB3 ALA 31 HB3 ALA 31 11.078 15.170 -13.843
205 H CYS 32 H CYS 32 10.792 12.961 -11.443
206 HA CYS 32 HA CYS 32 13.362 13.625 -10.481
207 HB2 CYS 32 HB2 CYS 32 11.057 12.256 -9.068
208 HB3 CYS 32 HB3 CYS 32 12.462 12.940 -8.264
209 H ALA 33 H ALA 33 11.859 10.653 -11.370
210 HA ALA 33 HA ALA 33 13.419 8.820 -9.915
211 HB1 ALA 33 HB1 ALA 33 12.094 8.380 -12.587
212 HB2 ALA 33 HB2 ALA 33 11.291 8.248 -11.022
213 HB3 ALA 33 HB3 ALA 33 12.594 7.135 -11.441
214 H GLU 34 H GLU 34 13.708 9.896 -13.257
215 HA GLU 34 HA GLU 34 16.220 8.504 -13.563
216 HB2 GLU 34 HB2 GLU 34 14.718 10.293 -15.472
217 HB3 GLU 34 HB3 GLU 34 16.129 9.323 -15.877
218 HG2 GLU 34 HG2 GLU 34 13.455 8.279 -14.976
219 HG3 GLU 34 HG3 GLU 34 14.080 8.259 -16.622
220 H GLN 35 H GLN 35 15.620 11.121 -11.920
221 HA GLN 35 HA GLN 35 16.828 12.873 -11.166
222 HB2 GLN 35 HB2 GLN 35 19.024 11.646 -12.840
223 HB3 GLN 35 HB3 GLN 35 19.258 13.042 -11.797
224 HG2 GLN 35 HG2 GLN 35 18.579 11.689 -9.864
225 HG3 GLN 35 HG3 GLN 35 18.408 10.290 -10.922
226 HE21 GLN 35 HE21 GLN 35 20.246 9.304 -11.745
227 HE22 GLN 35 HE22 GLN 35 21.821 9.612 -11.097
228 H HIS 36 H HIS 36 15.274 12.906 -13.657
229 HA HIS 36 HA HIS 36 14.597 14.375 -15.232
230 HB2 HIS 36 HB2 HIS 36 16.379 16.399 -13.848
231 HB3 HIS 36 HB3 HIS 36 15.004 16.743 -14.889
232 HD1 HIS 36 HD1 HIS 36 12.853 17.176 -13.679
233 HD2 HIS 36 HD2 HIS 36 15.516 14.954 -11.383
234 HE1 HIS 36 HE1 HIS 36 11.785 16.947 -11.420
235 HA PRO 37 HA PRO 37 18.445 13.633 -17.676
236 HB2 PRO 37 HB2 PRO 37 17.142 12.476 -19.777
237 HB3 PRO 37 HB3 PRO 37 17.704 11.573 -18.368
238 HG2 PRO 37 HG2 PRO 37 14.966 12.589 -19.001
239 HG3 PRO 37 HG3 PRO 37 15.449 11.040 -18.289
240 HD2 PRO 37 HD2 PRO 37 14.480 13.087 -16.812
241 HD3 PRO 37 HD3 PRO 37 15.677 11.939 -16.182
242 H ASN 38 H ASN 38 15.284 14.774 -18.789
243 HA ASN 38 HA ASN 38 16.509 16.325 -20.929
244 HB2 ASN 38 HB2 ASN 38 14.414 15.088 -21.345
245 HB3 ASN 38 HB3 ASN 38 13.613 16.035 -20.099
246 HD21 ASN 38 HD21 ASN 38 15.924 17.250 -22.452
247 HD22 ASN 38 HD22 ASN 38 14.811 18.273 -23.276
248 H GLY 39 H GLY 39 15.195 16.715 -17.759
249 HA2 GLY 39 HA2 GLY 39 15.703 18.654 -16.436
250 HA3 GLY 39 HA3 GLY 39 15.749 19.606 -17.920
251 H GLU 40 H GLU 40 13.376 17.210 -17.229
252 HA GLU 40 HA GLU 40 11.270 19.126 -17.614
253 HB2 GLU 40 HB2 GLU 40 9.796 17.116 -17.488
254 HB3 GLU 40 HB3 GLU 40 11.028 17.018 -18.733
255 HG2 GLU 40 HG2 GLU 40 11.440 15.763 -16.040
256 HG3 GLU 40 HG3 GLU 40 10.526 14.942 -17.301
257 HA PRO 41 HA PRO 41 10.678 19.634 -13.212
258 HB2 PRO 41 HB2 PRO 41 8.548 21.299 -13.377
259 HB3 PRO 41 HB3 PRO 41 10.198 21.846 -13.692
260 HG2 PRO 41 HG2 PRO 41 8.039 21.129 -15.627
261 HG3 PRO 41 HG3 PRO 41 9.216 22.450 -15.700
262 HD2 PRO 41 HD2 PRO 41 9.466 20.113 -17.093
263 HD3 PRO 41 HD3 PRO 41 10.842 21.111 -16.590
264 H CYS 42 H CYS 42 9.556 18.334 -11.862
265 HA CYS 42 HA CYS 42 7.647 16.528 -12.937
266 HB2 CYS 42 HB2 CYS 42 7.581 15.597 -10.674
267 HB3 CYS 42 HB3 CYS 42 9.235 15.881 -11.186
268 HA PRO 43 HA PRO 43 3.863 18.690 -12.198
269 HB2 PRO 43 HB2 PRO 43 2.142 16.676 -11.702
270 HB3 PRO 43 HB3 PRO 43 2.862 16.930 -13.296
271 HG2 PRO 43 HG2 PRO 43 3.693 15.027 -11.131
272 HG3 PRO 43 HG3 PRO 43 3.483 14.715 -12.865
273 HD2 PRO 43 HD2 PRO 43 5.910 15.145 -11.782
274 HD3 PRO 43 HD3 PRO 43 5.498 15.699 -13.416
275 H ALA 44 H ALA 44 5.577 18.406 -9.775
276 HA ALA 44 HA ALA 44 3.661 17.943 -7.635
277 HB1 ALA 44 HB1 ALA 44 5.883 17.101 -7.247
278 HB2 ALA 44 HB2 ALA 44 5.599 18.448 -6.148
279 HB3 ALA 44 HB3 ALA 44 6.586 18.680 -7.590
280 HA PRO 45 HA PRO 45 2.506 22.236 -7.315
281 HB2 PRO 45 HB2 PRO 45 1.866 22.172 -4.630
282 HB3 PRO 45 HB3 PRO 45 0.759 21.685 -5.925
283 HG2 PRO 45 HG2 PRO 45 2.491 20.021 -4.154
284 HG3 PRO 45 HG3 PRO 45 0.838 19.702 -4.715
285 HD2 PRO 45 HD2 PRO 45 2.958 18.470 -5.790
286 HD3 PRO 45 HD3 PRO 45 1.566 18.951 -6.785
287 H ASP 46 H ASP 46 4.420 20.710 -4.777
288 HA ASP 46 HA ASP 46 5.735 23.237 -4.148
289 HB2 ASP 46 HB2 ASP 46 5.822 20.534 -2.809
290 HB3 ASP 46 HB3 ASP 46 6.688 21.959 -2.237
291 H CYS 47 H CYS 47 6.222 21.860 -6.651
292 HA CYS 47 HA CYS 47 8.603 20.402 -6.669
293 HB2 CYS 47 HB2 CYS 47 7.117 20.514 -8.609
294 HB3 CYS 47 HB3 CYS 47 7.491 22.220 -8.809
295 H HIS 48 H HIS 48 10.707 20.931 -6.818
296 HA HIS 48 HA HIS 48 11.441 23.778 -6.771
297 HB2 HIS 48 HB2 HIS 48 11.281 22.754 -4.435
298 HB3 HIS 48 HB3 HIS 48 12.653 21.753 -4.884
299 HD1 HIS 48 HD1 HIS 48 14.941 22.760 -4.604
300 HD2 HIS 48 HD2 HIS 48 11.893 25.580 -4.348
301 HE1 HIS 48 HE1 HIS 48 16.032 24.878 -3.802
302 HE2 HIS 48 HE2 HIS 48 14.203 26.606 -3.842
303 H CYS 49 H CYS 49 11.677 21.058 -8.407
304 HA CYS 49 HA CYS 49 14.527 21.397 -9.042
305 HB2 CYS 49 HB2 CYS 49 14.394 18.988 -9.795
306 HB3 CYS 49 HB3 CYS 49 14.262 19.251 -8.058
307 H GLU 50 H GLU 50 15.116 20.998 -11.282
308 HA GLU 50 HA GLU 50 13.231 20.627 -13.341
309 HB2 GLU 50 HB2 GLU 50 12.558 22.922 -12.590
310 HB3 GLU 50 HB3 GLU 50 14.158 23.487 -13.045
311 HG2 GLU 50 HG2 GLU 50 13.700 22.732 -15.363
312 HG3 GLU 50 HG3 GLU 50 12.056 22.344 -14.863
313 H ARG 51 H ARG 51 16.189 22.494 -12.648
314 HA ARG 51 HA ARG 51 17.278 21.786 -15.236
315 HB2 ARG 51 HB2 ARG 51 19.152 23.242 -14.620
316 HB3 ARG 51 HB3 ARG 51 17.600 24.044 -14.428
317 HG2 ARG 51 HG2 ARG 51 17.690 23.639 -12.023
318 HG3 ARG 51 HG3 ARG 51 19.253 22.849 -12.217
319 HD2 ARG 51 HD2 ARG 51 20.201 24.923 -13.063
320 HD3 ARG 51 HD3 ARG 51 18.629 25.710 -12.923
321 HE ARG 51 HE ARG 51 18.926 24.988 -10.439
322 HH11 ARG 51 HH11 ARG 51 21.404 26.261 -12.578
323 HH12 ARG 51 HH12 ARG 51 22.332 26.949 -11.293
324 HH21 ARG 51 HH21 ARG 51 20.154 25.894 -8.751
325 HH22 ARG 51 HH22 ARG 51 21.623 26.735 -9.107
326 H SER 52 H SER 52 19.003 20.526 -15.654
327 HA SER 52 HA SER 52 20.313 19.135 -13.430
328 HB2 SER 52 HB2 SER 52 19.377 17.821 -15.989
329 HB3 SER 52 HB3 SER 52 20.208 17.031 -14.648
330 HG SER 52 HG SER 52 17.798 16.922 -14.825
Start of MODEL 7
1 HA ASN 1 HA ASN 1 3.044 4.041 3.694
2 HB2 ASN 1 HB2 ASN 1 1.497 5.248 5.976
3 HB3 ASN 1 HB3 ASN 1 0.839 5.170 4.346
4 HD21 ASN 1 HD21 ASN 1 -0.808 3.805 4.937
5 HD22 ASN 1 HD22 ASN 1 -0.542 2.143 5.341
6 H GLU 2 H GLU 2 4.047 6.809 5.512
7 HA GLU 2 HA GLU 2 3.219 8.778 3.638
8 HB2 GLU 2 HB2 GLU 2 5.566 8.986 5.538
9 HB3 GLU 2 HB3 GLU 2 4.670 10.310 4.814
10 HG2 GLU 2 HG2 GLU 2 3.777 10.307 6.914
11 HG3 GLU 2 HG3 GLU 2 2.650 9.227 6.099
12 H LEU 3 H LEU 3 3.783 8.115 1.609
13 HA LEU 3 HA LEU 3 6.558 7.488 1.048
14 HB2 LEU 3 HB2 LEU 3 4.591 6.142 0.190
15 HB3 LEU 3 HB3 LEU 3 4.246 7.489 -0.875
16 HG LEU 3 HG LEU 3 6.353 7.177 -2.031
17 HD11 LEU 3 HD11 LEU 3 6.836 4.984 -0.020
18 HD12 LEU 3 HD12 LEU 3 7.759 6.478 -0.195
19 HD13 LEU 3 HD13 LEU 3 7.805 5.259 -1.467
20 HD21 LEU 3 HD21 LEU 3 4.421 5.847 -2.748
21 HD22 LEU 3 HD22 LEU 3 4.911 4.554 -1.654
22 HD23 LEU 3 HD23 LEU 3 5.939 4.992 -3.019
23 H ARG 4 H ARG 4 7.885 9.042 0.568
24 HA ARG 4 HA ARG 4 6.861 11.486 -0.688
25 HB2 ARG 4 HB2 ARG 4 8.956 12.552 0.143
26 HB3 ARG 4 HB3 ARG 4 7.911 11.964 1.427
27 HG2 ARG 4 HG2 ARG 4 10.002 10.101 0.490
28 HG3 ARG 4 HG3 ARG 4 10.549 11.538 1.355
29 HD2 ARG 4 HD2 ARG 4 8.394 9.713 2.404
30 HD3 ARG 4 HD3 ARG 4 10.105 9.490 2.776
31 HE ARG 4 HE ARG 4 9.537 12.111 3.381
32 HH11 ARG 4 HH11 ARG 4 8.311 9.000 4.453
33 HH12 ARG 4 HH12 ARG 4 8.035 9.519 6.078
34 HH21 ARG 4 HH21 ARG 4 9.158 12.814 5.526
35 HH22 ARG 4 HH22 ARG 4 8.517 11.706 6.687
36 H CYS 5 H CYS 5 8.390 12.556 -2.192
37 HA CYS 5 HA CYS 5 9.232 10.714 -4.182
38 HB2 CYS 5 HB2 CYS 5 8.268 13.039 -4.536
39 HB3 CYS 5 HB3 CYS 5 9.849 13.662 -4.083
40 H GLY 6 H GLY 6 11.289 10.184 -4.836
41 HA2 GLY 6 HA2 GLY 6 13.307 10.189 -2.801
42 HA3 GLY 6 HA3 GLY 6 13.429 9.536 -4.429
43 H CYS 7 H CYS 7 12.534 12.310 -5.292
44 HA CYS 7 HA CYS 7 15.055 13.251 -6.035
45 HB2 CYS 7 HB2 CYS 7 12.711 13.779 -7.010
46 HB3 CYS 7 HB3 CYS 7 12.678 15.066 -5.813
47 HA PRO 8 HA PRO 8 16.195 14.966 -2.021
48 HB2 PRO 8 HB2 PRO 8 18.580 15.851 -3.523
49 HB3 PRO 8 HB3 PRO 8 18.478 14.829 -2.086
50 HG2 PRO 8 HG2 PRO 8 19.112 13.816 -4.487
51 HG3 PRO 8 HG3 PRO 8 18.146 12.904 -3.314
52 HD2 PRO 8 HD2 PRO 8 17.256 14.377 -5.763
53 HD3 PRO 8 HD3 PRO 8 16.694 12.824 -5.097
54 H ASP 9 H ASP 9 15.699 16.541 -4.992
55 HA ASP 9 HA ASP 9 16.113 19.179 -3.784
56 HB2 ASP 9 HB2 ASP 9 15.869 18.337 -6.669
57 HB3 ASP 9 HB3 ASP 9 15.893 20.016 -6.145
58 H CYS 10 H CYS 10 13.628 17.002 -4.356
59 HA CYS 10 HA CYS 10 11.682 19.161 -4.173
60 HB2 CYS 10 HB2 CYS 10 12.165 18.476 -6.628
61 HB3 CYS 10 HB3 CYS 10 11.230 17.039 -6.240
62 H HIS 11 H HIS 11 9.906 18.642 -3.035
63 HA HIS 11 HA HIS 11 9.666 15.867 -2.110
64 HB2 HIS 11 HB2 HIS 11 8.732 18.442 -0.820
65 HB3 HIS 11 HB3 HIS 11 8.393 16.834 -0.194
66 HD2 HIS 11 HD2 HIS 11 10.571 15.554 1.039
67 HE1 HIS 11 HE1 HIS 11 13.132 18.926 0.919
68 HE2 HIS 11 HE2 HIS 11 12.702 16.683 1.960
69 H CYS 12 H CYS 12 8.386 15.045 -3.675
70 HA CYS 12 HA CYS 12 5.885 16.422 -4.304
71 HB2 CYS 12 HB2 CYS 12 6.929 13.979 -5.678
72 HB3 CYS 12 HB3 CYS 12 5.842 15.213 -6.302
73 H LYS 13 H LYS 13 3.920 15.249 -4.317
74 HA LYS 13 HA LYS 13 3.699 13.307 -2.232
75 HB2 LYS 13 HB2 LYS 13 1.307 13.239 -2.857
76 HB3 LYS 13 HB3 LYS 13 1.888 14.865 -2.537
77 HG2 LYS 13 HG2 LYS 13 1.948 15.376 -4.872
78 HG3 LYS 13 HG3 LYS 13 1.594 13.700 -5.294
79 HD2 LYS 13 HD2 LYS 13 -0.230 15.499 -3.722
80 HD3 LYS 13 HD3 LYS 13 -0.377 15.203 -5.458
81 HE2 LYS 13 HE2 LYS 13 -0.600 12.761 -4.927
82 HE3 LYS 13 HE3 LYS 13 -0.652 13.194 -3.220
83 HZ1 LYS 13 HZ1 LYS 13 -2.581 14.045 -5.303
84 HZ2 LYS 13 HZ2 LYS 13 -2.617 14.547 -3.689
85 HZ3 LYS 13 HZ3 LYS 13 -2.865 12.920 -4.074
86 H VAL 14 H VAL 14 3.822 11.170 -2.432
87 HA VAL 14 HA VAL 14 3.766 10.065 -5.152
88 HB VAL 14 HB VAL 14 5.394 9.071 -2.801
89 HG11 VAL 14 HG11 VAL 14 4.666 7.280 -4.302
90 HG12 VAL 14 HG12 VAL 14 6.406 7.543 -4.392
91 HG13 VAL 14 HG13 VAL 14 5.354 8.152 -5.673
92 HG21 VAL 14 HG21 VAL 14 6.264 11.157 -3.700
93 HG22 VAL 14 HG22 VAL 14 6.256 10.471 -5.325
94 HG23 VAL 14 HG23 VAL 14 7.330 9.808 -4.093
95 H ASP 15 H ASP 15 2.563 8.302 -5.522
96 HA ASP 15 HA ASP 15 0.826 7.428 -3.326
97 HB2 ASP 15 HB2 ASP 15 -0.241 8.437 -5.337
98 HB3 ASP 15 HB3 ASP 15 0.415 7.122 -6.297
99 HA PRO 16 HA PRO 16 2.941 3.515 -3.247
100 HB2 PRO 16 HB2 PRO 16 0.294 2.454 -2.414
101 HB3 PRO 16 HB3 PRO 16 1.861 2.324 -1.608
102 HG2 PRO 16 HG2 PRO 16 -0.012 3.970 -0.676
103 HG3 PRO 16 HG3 PRO 16 1.698 4.436 -0.663
104 HD2 PRO 16 HD2 PRO 16 -0.487 5.297 -2.512
105 HD3 PRO 16 HD3 PRO 16 0.848 6.239 -1.815
106 H GLU 17 H GLU 17 -0.113 3.928 -4.927
107 HA GLU 17 HA GLU 17 0.231 1.417 -6.384
108 HB2 GLU 17 HB2 GLU 17 -2.006 1.888 -5.605
109 HB3 GLU 17 HB3 GLU 17 -1.975 3.483 -6.341
110 HG2 GLU 17 HG2 GLU 17 -1.719 2.269 -8.562
111 HG3 GLU 17 HG3 GLU 17 -2.168 0.811 -7.682
112 H ARG 18 H ARG 18 0.700 4.797 -6.721
113 HA ARG 18 HA ARG 18 1.230 4.488 -9.602
114 HB2 ARG 18 HB2 ARG 18 0.117 6.954 -8.272
115 HB3 ARG 18 HB3 ARG 18 0.302 6.660 -9.996
116 HG2 ARG 18 HG2 ARG 18 -1.486 5.243 -10.095
117 HG3 ARG 18 HG3 ARG 18 -1.373 4.807 -8.390
118 HD2 ARG 18 HD2 ARG 18 -2.014 7.186 -7.895
119 HD3 ARG 18 HD3 ARG 18 -2.426 7.325 -9.606
120 HE ARG 18 HE ARG 18 -3.669 5.046 -8.455
121 HH11 ARG 18 HH11 ARG 18 -3.919 8.533 -8.586
122 HH12 ARG 18 HH12 ARG 18 -5.617 8.556 -8.261
123 HH21 ARG 18 HH21 ARG 18 -5.900 5.067 -8.015
124 HH22 ARG 18 HH22 ARG 18 -6.749 6.570 -7.921
125 H VAL 19 H VAL 19 3.283 4.006 -8.448
126 HA VAL 19 HA VAL 19 4.829 6.478 -8.081
127 HB VAL 19 HB VAL 19 4.650 5.535 -5.908
128 HG11 VAL 19 HG11 VAL 19 3.845 3.334 -6.487
129 HG12 VAL 19 HG12 VAL 19 5.220 3.202 -5.390
130 HG13 VAL 19 HG13 VAL 19 5.432 2.884 -7.113
131 HG21 VAL 19 HG21 VAL 19 6.960 4.867 -5.369
132 HG22 VAL 19 HG22 VAL 19 6.887 6.286 -6.414
133 HG23 VAL 19 HG23 VAL 19 7.297 4.709 -7.093
134 H PHE 20 H PHE 20 6.742 6.631 -9.139
135 HA PHE 20 HA PHE 20 7.507 4.433 -10.896
136 HB2 PHE 20 HB2 PHE 20 8.236 7.338 -10.721
137 HB3 PHE 20 HB3 PHE 20 9.346 6.230 -11.509
138 HD1 PHE 20 HD1 PHE 20 6.105 7.842 -11.683
139 HD2 PHE 20 HD2 PHE 20 8.791 5.209 -13.626
140 HE1 PHE 20 HE1 PHE 20 4.798 8.068 -13.762
141 HE2 PHE 20 HE2 PHE 20 7.506 5.419 -15.713
142 HZ PHE 20 HZ PHE 20 5.503 6.853 -15.783
143 H ASN 21 H ASN 21 8.662 2.922 -9.891
144 HA ASN 21 HA ASN 21 10.499 3.701 -7.776
145 HB2 ASN 21 HB2 ASN 21 9.092 1.765 -7.337
146 HB3 ASN 21 HB3 ASN 21 9.699 0.965 -8.782
147 HD21 ASN 21 HD21 ASN 21 11.769 0.097 -8.772
148 HD22 ASN 21 HD22 ASN 21 12.655 -0.163 -7.313
149 H HIS 22 H HIS 22 12.529 4.061 -8.125
150 HA HIS 22 HA HIS 22 13.964 2.549 -10.140
151 HB2 HIS 22 HB2 HIS 22 13.198 4.506 -11.401
152 HB3 HIS 22 HB3 HIS 22 13.848 5.579 -10.168
153 HD2 HIS 22 HD2 HIS 22 16.401 6.373 -10.629
154 HE1 HIS 22 HE1 HIS 22 17.394 3.463 -13.542
155 HE2 HIS 22 HE2 HIS 22 18.049 5.639 -12.469
156 H ASP 23 H ASP 23 16.044 2.175 -9.558
157 HA ASP 23 HA ASP 23 17.918 2.075 -8.280
158 HB2 ASP 23 HB2 ASP 23 18.022 4.526 -8.902
159 HB3 ASP 23 HB3 ASP 23 17.219 4.887 -7.379
160 H GLY 24 H GLY 24 15.236 1.377 -7.276
161 HA2 GLY 24 HA2 GLY 24 14.431 0.381 -5.367
162 HA3 GLY 24 HA3 GLY 24 15.952 0.768 -4.574
163 H GLU 25 H GLU 25 14.517 3.450 -6.012
164 HA GLU 25 HA GLU 25 13.486 4.319 -3.401
165 HB2 GLU 25 HB2 GLU 25 15.602 5.396 -4.336
166 HB3 GLU 25 HB3 GLU 25 14.568 6.083 -5.576
167 HG2 GLU 25 HG2 GLU 25 13.406 7.401 -4.025
168 HG3 GLU 25 HG3 GLU 25 14.080 6.517 -2.656
169 H ALA 26 H ALA 26 11.736 5.872 -3.509
170 HA ALA 26 HA ALA 26 9.885 5.210 -5.682
171 HB1 ALA 26 HB1 ALA 26 8.130 5.955 -4.128
172 HB2 ALA 26 HB2 ALA 26 9.369 6.333 -2.931
173 HB3 ALA 26 HB3 ALA 26 9.118 4.664 -3.445
174 H TYR 27 H TYR 27 9.042 6.758 -6.990
175 HA TYR 27 HA TYR 27 9.642 9.565 -6.363
176 HB2 TYR 27 HB2 TYR 27 9.994 8.253 -9.058
177 HB3 TYR 27 HB3 TYR 27 10.188 9.967 -8.717
178 HD1 TYR 27 HD1 TYR 27 11.718 6.683 -8.579
179 HD2 TYR 27 HD2 TYR 27 12.112 10.732 -7.345
180 HE1 TYR 27 HE1 TYR 27 14.095 6.303 -8.111
181 HE2 TYR 27 HE2 TYR 27 14.491 10.358 -6.873
182 HH TYR 27 HH TYR 27 15.908 8.320 -6.245
183 H CYS 28 H CYS 28 8.236 11.094 -7.328
184 HA CYS 28 HA CYS 28 5.520 10.336 -7.414
185 HB2 CYS 28 HB2 CYS 28 5.123 12.640 -8.132
186 HB3 CYS 28 HB3 CYS 28 6.288 12.583 -6.813
187 H SER 29 H SER 29 7.839 11.133 -9.944
188 HA SER 29 HA SER 29 6.248 9.714 -11.890
189 HB2 SER 29 HB2 SER 29 5.403 12.075 -11.906
190 HB3 SER 29 HB3 SER 29 7.026 12.606 -12.343
191 HG SER 29 HG SER 29 6.045 12.376 -14.268
192 H GLN 30 H GLN 30 7.491 10.118 -14.106
193 HA GLN 30 HA GLN 30 9.920 8.765 -13.833
194 HB2 GLN 30 HB2 GLN 30 10.156 9.457 -16.327
195 HB3 GLN 30 HB3 GLN 30 8.863 8.369 -15.833
196 HG2 GLN 30 HG2 GLN 30 7.236 10.052 -15.984
197 HG3 GLN 30 HG3 GLN 30 8.452 11.326 -16.050
198 HE21 GLN 30 HE21 GLN 30 9.350 11.866 -17.948
199 HE22 GLN 30 HE22 GLN 30 8.864 11.191 -19.471
200 H ALA 31 H ALA 31 9.224 12.193 -14.400
201 HA ALA 31 HA ALA 31 11.685 13.198 -15.072
202 HB1 ALA 31 HB1 ALA 31 9.724 14.477 -13.176
203 HB2 ALA 31 HB2 ALA 31 9.644 14.541 -14.937
204 HB3 ALA 31 HB3 ALA 31 10.985 15.307 -14.085
205 H CYS 32 H CYS 32 10.533 13.036 -11.683
206 HA CYS 32 HA CYS 32 13.081 13.641 -10.606
207 HB2 CYS 32 HB2 CYS 32 10.594 12.451 -9.385
208 HB3 CYS 32 HB3 CYS 32 12.041 12.793 -8.451
209 H ALA 33 H ALA 33 11.506 10.689 -11.495
210 HA ALA 33 HA ALA 33 13.002 8.866 -9.953
211 HB1 ALA 33 HB1 ALA 33 12.147 7.145 -11.432
212 HB2 ALA 33 HB2 ALA 33 11.671 8.364 -12.613
213 HB3 ALA 33 HB3 ALA 33 10.871 8.299 -11.043
214 H GLU 34 H GLU 34 13.392 9.999 -13.247
215 HA GLU 34 HA GLU 34 15.818 8.477 -13.652
216 HB2 GLU 34 HB2 GLU 34 14.430 10.524 -15.384
217 HB3 GLU 34 HB3 GLU 34 15.832 9.586 -15.872
218 HG2 GLU 34 HG2 GLU 34 13.197 8.379 -15.071
219 HG3 GLU 34 HG3 GLU 34 13.655 8.749 -16.731
220 H GLN 35 H GLN 35 15.253 11.075 -11.866
221 HA GLN 35 HA GLN 35 16.521 12.695 -10.934
222 HB2 GLN 35 HB2 GLN 35 18.762 11.396 -12.490
223 HB3 GLN 35 HB3 GLN 35 18.985 12.660 -11.287
224 HG2 GLN 35 HG2 GLN 35 17.753 9.968 -10.751
225 HG3 GLN 35 HG3 GLN 35 19.425 10.407 -10.411
226 HE21 GLN 35 HE21 GLN 35 17.291 9.543 -8.607
227 HE22 GLN 35 HE22 GLN 35 17.131 10.793 -7.427
228 H HIS 36 H HIS 36 15.262 12.885 -13.625
229 HA HIS 36 HA HIS 36 14.872 14.425 -15.239
230 HB2 HIS 36 HB2 HIS 36 16.570 16.321 -13.600
231 HB3 HIS 36 HB3 HIS 36 15.367 16.755 -14.804
232 HD1 HIS 36 HD1 HIS 36 13.118 17.330 -13.877
233 HD2 HIS 36 HD2 HIS 36 15.292 14.925 -11.286
234 HE1 HIS 36 HE1 HIS 36 11.794 17.248 -11.742
235 HA PRO 37 HA PRO 37 19.091 13.912 -17.123
236 HB2 PRO 37 HB2 PRO 37 18.522 12.046 -18.965
237 HB3 PRO 37 HB3 PRO 37 18.872 11.613 -17.287
238 HG2 PRO 37 HG2 PRO 37 16.235 11.832 -18.678
239 HG3 PRO 37 HG3 PRO 37 16.792 10.611 -17.521
240 HD2 PRO 37 HD2 PRO 37 15.183 12.742 -16.859
241 HD3 PRO 37 HD3 PRO 37 16.245 11.906 -15.713
242 H ASN 38 H ASN 38 15.884 14.385 -18.413
243 HA ASN 38 HA ASN 38 16.962 15.498 -20.897
244 HB2 ASN 38 HB2 ASN 38 14.143 14.800 -20.093
245 HB3 ASN 38 HB3 ASN 38 14.562 15.600 -21.605
246 HD21 ASN 38 HD21 ASN 38 15.935 14.503 -23.057
247 HD22 ASN 38 HD22 ASN 38 15.985 12.779 -23.083
248 H GLY 39 H GLY 39 15.887 16.475 -17.871
249 HA2 GLY 39 HA2 GLY 39 16.038 18.710 -17.112
250 HA3 GLY 39 HA3 GLY 39 15.824 19.262 -18.769
251 H GLU 40 H GLU 40 13.699 16.825 -18.125
252 HA GLU 40 HA GLU 40 11.428 18.528 -18.162
253 HB2 GLU 40 HB2 GLU 40 11.254 16.408 -19.234
254 HB3 GLU 40 HB3 GLU 40 11.799 15.564 -17.798
255 HG2 GLU 40 HG2 GLU 40 9.721 16.248 -16.658
256 HG3 GLU 40 HG3 GLU 40 9.160 16.946 -18.180
257 HA PRO 41 HA PRO 41 11.258 18.942 -13.666
258 HB2 PRO 41 HB2 PRO 41 8.843 20.510 -14.091
259 HB3 PRO 41 HB3 PRO 41 10.416 21.054 -13.508
260 HG2 PRO 41 HG2 PRO 41 9.393 21.757 -15.938
261 HG3 PRO 41 HG3 PRO 41 11.130 21.651 -15.603
262 HD2 PRO 41 HD2 PRO 41 9.344 19.701 -16.998
263 HD3 PRO 41 HD3 PRO 41 11.013 20.186 -17.375
264 H CYS 42 H CYS 42 9.727 18.248 -12.020
265 HA CYS 42 HA CYS 42 8.088 16.094 -12.984
266 HB2 CYS 42 HB2 CYS 42 7.779 15.566 -10.610
267 HB3 CYS 42 HB3 CYS 42 9.480 15.817 -10.985
268 HA PRO 43 HA PRO 43 4.263 18.292 -12.956
269 HB2 PRO 43 HB2 PRO 43 2.496 16.305 -12.585
270 HB3 PRO 43 HB3 PRO 43 3.458 16.427 -14.064
271 HG2 PRO 43 HG2 PRO 43 3.894 14.693 -11.661
272 HG3 PRO 43 HG3 PRO 43 4.021 14.275 -13.380
273 HD2 PRO 43 HD2 PRO 43 6.178 14.855 -11.816
274 HD3 PRO 43 HD3 PRO 43 6.135 15.150 -13.564
275 H ALA 44 H ALA 44 5.694 17.908 -10.272
276 HA ALA 44 HA ALA 44 3.552 17.618 -8.379
277 HB1 ALA 44 HB1 ALA 44 5.822 16.901 -7.815
278 HB2 ALA 44 HB2 ALA 44 5.247 18.144 -6.704
279 HB3 ALA 44 HB3 ALA 44 6.389 18.563 -7.981
280 HA PRO 45 HA PRO 45 2.214 21.847 -8.615
281 HB2 PRO 45 HB2 PRO 45 0.835 21.939 -6.280
282 HB3 PRO 45 HB3 PRO 45 0.228 21.085 -7.705
283 HG2 PRO 45 HG2 PRO 45 1.709 19.986 -5.339
284 HG3 PRO 45 HG3 PRO 45 0.220 19.374 -6.096
285 HD2 PRO 45 HD2 PRO 45 2.592 18.275 -6.619
286 HD3 PRO 45 HD3 PRO 45 1.380 18.477 -7.903
287 H ASP 46 H ASP 46 3.985 20.526 -5.935
288 HA ASP 46 HA ASP 46 4.768 23.225 -5.058
289 HB2 ASP 46 HB2 ASP 46 3.686 21.720 -3.353
290 HB3 ASP 46 HB3 ASP 46 5.035 20.610 -3.541
291 H CYS 47 H CYS 47 5.794 21.759 -7.368
292 HA CYS 47 HA CYS 47 8.206 20.466 -6.999
293 HB2 CYS 47 HB2 CYS 47 7.113 20.608 -9.173
294 HB3 CYS 47 HB3 CYS 47 7.467 22.331 -9.256
295 H HIS 48 H HIS 48 10.302 21.017 -6.765
296 HA HIS 48 HA HIS 48 11.096 23.812 -6.624
297 HB2 HIS 48 HB2 HIS 48 10.118 23.189 -4.379
298 HB3 HIS 48 HB3 HIS 48 11.397 21.997 -4.216
299 HD1 HIS 48 HD1 HIS 48 13.284 22.796 -2.863
300 HD2 HIS 48 HD2 HIS 48 11.352 25.930 -4.773
301 HE1 HIS 48 HE1 HIS 48 14.439 24.871 -2.070
302 HE2 HIS 48 HE2 HIS 48 13.432 26.710 -3.448
303 H CYS 49 H CYS 49 11.706 21.146 -8.049
304 HA CYS 49 HA CYS 49 14.167 20.103 -7.322
305 HB2 CYS 49 HB2 CYS 49 13.108 20.449 -10.132
306 HB3 CYS 49 HB3 CYS 49 14.383 19.346 -9.641
307 H GLU 50 H GLU 50 13.611 22.595 -9.816
308 HA GLU 50 HA GLU 50 14.836 24.352 -10.558
309 HB2 GLU 50 HB2 GLU 50 14.971 24.899 -8.117
310 HB3 GLU 50 HB3 GLU 50 16.498 24.036 -8.049
311 HG2 GLU 50 HG2 GLU 50 17.402 25.624 -9.733
312 HG3 GLU 50 HG3 GLU 50 15.892 26.526 -9.624
313 H ARG 51 H ARG 51 15.968 21.325 -10.593
314 HA ARG 51 HA ARG 51 18.671 21.952 -11.364
315 HB2 ARG 51 HB2 ARG 51 19.010 19.537 -11.462
316 HB3 ARG 51 HB3 ARG 51 18.336 19.995 -9.907
317 HG2 ARG 51 HG2 ARG 51 16.221 19.120 -10.454
318 HG3 ARG 51 HG3 ARG 51 16.636 18.982 -12.162
319 HD2 ARG 51 HD2 ARG 51 16.695 16.797 -11.153
320 HD3 ARG 51 HD3 ARG 51 18.332 17.287 -11.575
321 HE ARG 51 HE ARG 51 17.811 17.981 -8.893
322 HH11 ARG 51 HH11 ARG 51 18.379 15.176 -10.915
323 HH12 ARG 51 HH12 ARG 51 18.986 14.202 -9.621
324 HH21 ARG 51 HH21 ARG 51 18.642 16.711 -7.176
325 HH22 ARG 51 HH22 ARG 51 19.174 15.085 -7.498
326 H SER 52 H SER 52 19.438 21.139 -13.353
327 HA SER 52 HA SER 52 19.448 20.921 -15.513
328 HB2 SER 52 HB2 SER 52 16.569 20.064 -15.319
329 HB3 SER 52 HB3 SER 52 17.633 19.816 -16.706
330 HG SER 52 HG SER 52 18.961 18.827 -14.725
Start of MODEL 8
1 HA ASN 1 HA ASN 1 4.008 4.147 5.716
2 HB2 ASN 1 HB2 ASN 1 4.360 2.781 3.036
3 HB3 ASN 1 HB3 ASN 1 5.670 3.523 3.946
4 HD21 ASN 1 HD21 ASN 1 5.258 0.748 3.120
5 HD22 ASN 1 HD22 ASN 1 5.312 -0.184 4.574
6 H GLU 2 H GLU 2 4.854 6.131 5.416
7 HA GLU 2 HA GLU 2 3.580 7.957 3.664
8 HB2 GLU 2 HB2 GLU 2 6.141 8.197 5.264
9 HB3 GLU 2 HB3 GLU 2 5.412 9.525 4.384
10 HG2 GLU 2 HG2 GLU 2 4.854 9.745 6.694
11 HG3 GLU 2 HG3 GLU 2 3.394 9.301 5.815
12 H LEU 3 H LEU 3 3.797 7.402 1.532
13 HA LEU 3 HA LEU 3 6.319 6.571 0.482
14 HB2 LEU 3 HB2 LEU 3 3.990 5.855 -0.311
15 HB3 LEU 3 HB3 LEU 3 3.935 7.393 -1.149
16 HG LEU 3 HG LEU 3 5.785 6.780 -2.554
17 HD11 LEU 3 HD11 LEU 3 5.965 4.299 -0.847
18 HD12 LEU 3 HD12 LEU 3 7.170 5.584 -0.986
19 HD13 LEU 3 HD13 LEU 3 6.829 4.541 -2.364
20 HD21 LEU 3 HD21 LEU 3 4.837 4.860 -3.718
21 HD22 LEU 3 HD22 LEU 3 3.568 5.971 -3.207
22 HD23 LEU 3 HD23 LEU 3 3.849 4.480 -2.308
23 H ARG 4 H ARG 4 7.887 7.858 0.066
24 HA ARG 4 HA ARG 4 7.407 10.730 -0.325
25 HB2 ARG 4 HB2 ARG 4 9.678 11.018 0.481
26 HB3 ARG 4 HB3 ARG 4 8.800 9.981 1.605
27 HG2 ARG 4 HG2 ARG 4 9.807 8.002 0.528
28 HG3 ARG 4 HG3 ARG 4 10.736 9.070 -0.518
29 HD2 ARG 4 HD2 ARG 4 11.746 10.059 1.540
30 HD3 ARG 4 HD3 ARG 4 10.922 8.804 2.470
31 HE ARG 4 HE ARG 4 12.432 7.664 0.346
32 HH11 ARG 4 HH11 ARG 4 12.785 9.031 3.569
33 HH12 ARG 4 HH12 ARG 4 14.279 8.213 3.877
34 HH21 ARG 4 HH21 ARG 4 14.398 6.596 0.761
35 HH22 ARG 4 HH22 ARG 4 15.194 6.818 2.288
36 H CYS 5 H CYS 5 8.748 11.870 -1.847
37 HA CYS 5 HA CYS 5 9.438 10.337 -4.193
38 HB2 CYS 5 HB2 CYS 5 8.226 12.618 -4.167
39 HB3 CYS 5 HB3 CYS 5 9.804 13.308 -3.810
40 H GLY 6 H GLY 6 11.500 9.978 -4.881
41 HA2 GLY 6 HA2 GLY 6 13.592 9.953 -2.973
42 HA3 GLY 6 HA3 GLY 6 13.732 9.595 -4.686
43 H CYS 7 H CYS 7 12.620 12.334 -5.216
44 HA CYS 7 HA CYS 7 15.080 13.628 -5.616
45 HB2 CYS 7 HB2 CYS 7 12.455 14.011 -6.452
46 HB3 CYS 7 HB3 CYS 7 12.824 15.454 -5.513
47 HA PRO 8 HA PRO 8 15.398 15.070 -1.382
48 HB2 PRO 8 HB2 PRO 8 17.942 15.971 -1.538
49 HB3 PRO 8 HB3 PRO 8 17.548 14.255 -1.397
50 HG2 PRO 8 HG2 PRO 8 18.292 15.832 -3.828
51 HG3 PRO 8 HG3 PRO 8 18.795 14.199 -3.355
52 HD2 PRO 8 HD2 PRO 8 16.833 14.703 -5.192
53 HD3 PRO 8 HD3 PRO 8 16.881 13.235 -4.191
54 H ASP 9 H ASP 9 15.799 16.924 -4.283
55 HA ASP 9 HA ASP 9 15.916 19.428 -2.780
56 HB2 ASP 9 HB2 ASP 9 17.432 19.103 -4.728
57 HB3 ASP 9 HB3 ASP 9 16.021 19.022 -5.777
58 H CYS 10 H CYS 10 13.567 17.413 -4.073
59 HA CYS 10 HA CYS 10 11.629 19.623 -4.075
60 HB2 CYS 10 HB2 CYS 10 12.220 18.813 -6.408
61 HB3 CYS 10 HB3 CYS 10 11.490 17.274 -5.970
62 H HIS 11 H HIS 11 9.539 19.074 -3.330
63 HA HIS 11 HA HIS 11 9.370 16.449 -2.013
64 HB2 HIS 11 HB2 HIS 11 9.673 18.390 -0.422
65 HB3 HIS 11 HB3 HIS 11 8.114 18.994 -0.966
66 HD2 HIS 11 HD2 HIS 11 9.515 15.862 0.979
67 HE1 HIS 11 HE1 HIS 11 5.410 16.357 1.908
68 HE2 HIS 11 HE2 HIS 11 7.449 14.929 2.223
69 H CYS 12 H CYS 12 8.096 15.359 -3.382
70 HA CYS 12 HA CYS 12 5.638 16.656 -4.356
71 HB2 CYS 12 HB2 CYS 12 6.742 14.107 -5.450
72 HB3 CYS 12 HB3 CYS 12 5.761 15.330 -6.252
73 H LYS 13 H LYS 13 3.861 15.035 -4.787
74 HA LYS 13 HA LYS 13 3.524 13.311 -2.469
75 HB2 LYS 13 HB2 LYS 13 1.143 13.199 -3.246
76 HB3 LYS 13 HB3 LYS 13 1.691 14.798 -2.777
77 HG2 LYS 13 HG2 LYS 13 1.811 15.528 -5.020
78 HG3 LYS 13 HG3 LYS 13 1.648 13.883 -5.638
79 HD2 LYS 13 HD2 LYS 13 -0.471 15.240 -4.005
80 HD3 LYS 13 HD3 LYS 13 -0.421 15.331 -5.768
81 HE2 LYS 13 HE2 LYS 13 -0.595 12.913 -5.918
82 HE3 LYS 13 HE3 LYS 13 -0.543 12.774 -4.164
83 HZ1 LYS 13 HZ1 LYS 13 -2.802 12.610 -5.034
84 HZ2 LYS 13 HZ2 LYS 13 -2.669 14.149 -5.708
85 HZ3 LYS 13 HZ3 LYS 13 -2.628 13.960 -4.030
86 H VAL 14 H VAL 14 3.951 11.207 -2.701
87 HA VAL 14 HA VAL 14 3.958 10.129 -5.420
88 HB VAL 14 HB VAL 14 5.209 8.938 -2.947
89 HG11 VAL 14 HG11 VAL 14 4.660 7.298 -4.669
90 HG12 VAL 14 HG12 VAL 14 6.405 7.523 -4.546
91 HG13 VAL 14 HG13 VAL 14 5.511 8.266 -5.872
92 HG21 VAL 14 HG21 VAL 14 6.441 10.504 -5.195
93 HG22 VAL 14 HG22 VAL 14 7.321 9.709 -3.888
94 HG23 VAL 14 HG23 VAL 14 6.238 11.056 -3.533
95 H ASP 15 H ASP 15 2.526 8.727 -6.043
96 HA ASP 15 HA ASP 15 0.473 7.878 -4.160
97 HB2 ASP 15 HB2 ASP 15 0.035 8.887 -6.512
98 HB3 ASP 15 HB3 ASP 15 0.521 7.312 -7.102
99 HA PRO 16 HA PRO 16 2.135 3.758 -3.837
100 HB2 PRO 16 HB2 PRO 16 -0.193 2.466 -3.148
101 HB3 PRO 16 HB3 PRO 16 0.802 3.378 -2.009
102 HG2 PRO 16 HG2 PRO 16 -1.685 4.214 -3.446
103 HG3 PRO 16 HG3 PRO 16 -1.202 4.518 -1.766
104 HD2 PRO 16 HD2 PRO 16 -0.982 6.399 -3.677
105 HD3 PRO 16 HD3 PRO 16 0.190 6.266 -2.350
106 H GLU 17 H GLU 17 -0.478 4.658 -5.951
107 HA GLU 17 HA GLU 17 -0.327 2.117 -7.393
108 HB2 GLU 17 HB2 GLU 17 -2.560 2.918 -6.810
109 HB3 GLU 17 HB3 GLU 17 -2.237 4.460 -7.577
110 HG2 GLU 17 HG2 GLU 17 -1.995 3.219 -9.738
111 HG3 GLU 17 HG3 GLU 17 -2.582 1.785 -8.894
112 H ARG 18 H ARG 18 0.605 5.427 -7.486
113 HA ARG 18 HA ARG 18 1.629 5.076 -10.204
114 HB2 ARG 18 HB2 ARG 18 0.406 7.607 -9.069
115 HB3 ARG 18 HB3 ARG 18 1.267 7.515 -10.597
116 HG2 ARG 18 HG2 ARG 18 -0.864 7.294 -11.374
117 HG3 ARG 18 HG3 ARG 18 -0.475 5.607 -11.033
118 HD2 ARG 18 HD2 ARG 18 -2.626 5.988 -10.149
119 HD3 ARG 18 HD3 ARG 18 -1.504 5.881 -8.797
120 HE ARG 18 HE ARG 18 -1.611 8.513 -9.187
121 HH11 ARG 18 HH11 ARG 18 -4.160 6.108 -9.025
122 HH12 ARG 18 HH12 ARG 18 -5.320 7.197 -8.341
123 HH21 ARG 18 HH21 ARG 18 -3.161 9.965 -8.271
124 HH22 ARG 18 HH22 ARG 18 -4.749 9.391 -7.910
125 H VAL 19 H VAL 19 3.399 4.314 -8.821
126 HA VAL 19 HA VAL 19 5.147 6.572 -8.129
127 HB VAL 19 HB VAL 19 4.607 5.552 -6.046
128 HG11 VAL 19 HG11 VAL 19 5.243 2.907 -7.330
129 HG12 VAL 19 HG12 VAL 19 3.657 3.481 -6.802
130 HG13 VAL 19 HG13 VAL 19 4.922 3.150 -5.614
131 HG21 VAL 19 HG21 VAL 19 7.276 4.488 -6.954
132 HG22 VAL 19 HG22 VAL 19 6.751 4.637 -5.278
133 HG23 VAL 19 HG23 VAL 19 6.960 6.083 -6.269
134 H PHE 20 H PHE 20 7.202 6.527 -8.878
135 HA PHE 20 HA PHE 20 7.942 4.275 -10.615
136 HB2 PHE 20 HB2 PHE 20 8.557 7.194 -10.670
137 HB3 PHE 20 HB3 PHE 20 9.747 6.080 -11.322
138 HD1 PHE 20 HD1 PHE 20 6.535 7.651 -11.806
139 HD2 PHE 20 HD2 PHE 20 9.186 4.679 -13.267
140 HE1 PHE 20 HE1 PHE 20 5.286 7.590 -13.926
141 HE2 PHE 20 HE2 PHE 20 7.950 4.609 -15.390
142 HZ PHE 20 HZ PHE 20 6.001 6.067 -15.722
143 H ASN 21 H ASN 21 9.271 2.881 -9.690
144 HA ASN 21 HA ASN 21 10.956 3.726 -7.476
145 HB2 ASN 21 HB2 ASN 21 9.701 1.601 -7.309
146 HB3 ASN 21 HB3 ASN 21 10.583 0.981 -8.700
147 HD21 ASN 21 HD21 ASN 21 12.759 0.406 -8.461
148 HD22 ASN 21 HD22 ASN 21 13.468 0.158 -6.909
149 H HIS 22 H HIS 22 13.006 4.261 -7.698
150 HA HIS 22 HA HIS 22 14.533 3.083 -9.885
151 HB2 HIS 22 HB2 HIS 22 13.883 5.231 -10.791
152 HB3 HIS 22 HB3 HIS 22 14.395 6.058 -9.328
153 HD2 HIS 22 HD2 HIS 22 17.133 6.598 -9.166
154 HE1 HIS 22 HE1 HIS 22 18.139 5.009 -12.965
155 HE2 HIS 22 HE2 HIS 22 19.003 6.159 -10.910
156 H ASP 23 H ASP 23 16.268 2.205 -9.159
157 HA ASP 23 HA ASP 23 18.095 1.676 -7.963
158 HB2 ASP 23 HB2 ASP 23 18.573 4.159 -8.488
159 HB3 ASP 23 HB3 ASP 23 18.154 4.454 -6.804
160 H GLY 24 H GLY 24 15.322 1.661 -6.775
161 HA2 GLY 24 HA2 GLY 24 14.764 0.406 -4.834
162 HA3 GLY 24 HA3 GLY 24 16.219 1.009 -4.060
163 H GLU 25 H GLU 25 15.095 3.711 -5.369
164 HA GLU 25 HA GLU 25 13.546 4.366 -2.965
165 HB2 GLU 25 HB2 GLU 25 15.651 5.669 -3.583
166 HB3 GLU 25 HB3 GLU 25 14.727 6.305 -4.936
167 HG2 GLU 25 HG2 GLU 25 14.771 7.852 -3.050
168 HG3 GLU 25 HG3 GLU 25 13.136 7.317 -3.437
169 H ALA 26 H ALA 26 11.704 5.768 -3.213
170 HA ALA 26 HA ALA 26 10.186 5.087 -5.620
171 HB1 ALA 26 HB1 ALA 26 8.206 5.657 -4.310
172 HB2 ALA 26 HB2 ALA 26 9.230 6.161 -2.965
173 HB3 ALA 26 HB3 ALA 26 9.196 4.471 -3.464
174 H TYR 27 H TYR 27 9.111 6.669 -6.815
175 HA TYR 27 HA TYR 27 9.741 9.464 -6.187
176 HB2 TYR 27 HB2 TYR 27 10.176 8.094 -8.840
177 HB3 TYR 27 HB3 TYR 27 10.182 9.838 -8.624
178 HD1 TYR 27 HD1 TYR 27 12.015 6.718 -7.998
179 HD2 TYR 27 HD2 TYR 27 12.042 10.942 -7.557
180 HE1 TYR 27 HE1 TYR 27 14.421 6.650 -7.485
181 HE2 TYR 27 HE2 TYR 27 14.440 10.884 -7.058
182 HH TYR 27 HH TYR 27 16.088 9.266 -6.161
183 H CYS 28 H CYS 28 8.285 10.987 -7.063
184 HA CYS 28 HA CYS 28 5.596 10.158 -7.135
185 HB2 CYS 28 HB2 CYS 28 5.083 12.463 -7.659
186 HB3 CYS 28 HB3 CYS 28 6.384 12.415 -6.469
187 H SER 29 H SER 29 7.845 11.084 -9.683
188 HA SER 29 HA SER 29 6.234 9.615 -11.598
189 HB2 SER 29 HB2 SER 29 5.636 12.148 -11.608
190 HB3 SER 29 HB3 SER 29 7.234 12.350 -12.338
191 HG SER 29 HG SER 29 5.216 11.955 -13.718
192 H GLN 30 H GLN 30 7.537 9.870 -13.823
193 HA GLN 30 HA GLN 30 10.033 8.621 -13.273
194 HB2 GLN 30 HB2 GLN 30 10.244 8.254 -15.604
195 HB3 GLN 30 HB3 GLN 30 8.550 8.039 -15.204
196 HG2 GLN 30 HG2 GLN 30 9.711 10.536 -16.385
197 HG3 GLN 30 HG3 GLN 30 8.966 9.248 -17.336
198 HE21 GLN 30 HE21 GLN 30 8.516 12.060 -15.502
199 HE22 GLN 30 HE22 GLN 30 6.790 12.107 -15.551
200 H ALA 31 H ALA 31 9.091 11.848 -13.655
201 HA ALA 31 HA ALA 31 11.364 12.965 -14.861
202 HB1 ALA 31 HB1 ALA 31 9.508 14.185 -12.819
203 HB2 ALA 31 HB2 ALA 31 9.304 14.223 -14.571
204 HB3 ALA 31 HB3 ALA 31 10.655 15.073 -13.822
205 H CYS 32 H CYS 32 10.544 12.898 -11.372
206 HA CYS 32 HA CYS 32 13.135 13.636 -10.546
207 HB2 CYS 32 HB2 CYS 32 10.952 12.208 -8.999
208 HB3 CYS 32 HB3 CYS 32 12.383 12.941 -8.287
209 H ALA 33 H ALA 33 11.634 10.578 -11.229
210 HA ALA 33 HA ALA 33 13.374 8.843 -9.862
211 HB1 ALA 33 HB1 ALA 33 12.462 7.078 -11.226
212 HB2 ALA 33 HB2 ALA 33 11.853 8.250 -12.392
213 HB3 ALA 33 HB3 ALA 33 11.170 8.190 -10.768
214 H GLU 34 H GLU 34 13.394 9.905 -13.216
215 HA GLU 34 HA GLU 34 15.868 8.506 -13.763
216 HB2 GLU 34 HB2 GLU 34 14.264 10.403 -15.482
217 HB3 GLU 34 HB3 GLU 34 15.647 9.469 -16.026
218 HG2 GLU 34 HG2 GLU 34 13.048 8.322 -15.027
219 HG3 GLU 34 HG3 GLU 34 13.517 8.486 -16.716
220 H GLN 35 H GLN 35 15.313 11.116 -12.029
221 HA GLN 35 HA GLN 35 16.483 12.912 -11.334
222 HB2 GLN 35 HB2 GLN 35 18.723 11.704 -12.953
223 HB3 GLN 35 HB3 GLN 35 18.903 13.022 -11.808
224 HG2 GLN 35 HG2 GLN 35 18.237 11.580 -9.988
225 HG3 GLN 35 HG3 GLN 35 17.938 10.259 -11.118
226 HE21 GLN 35 HE21 GLN 35 20.340 12.159 -9.496
227 HE22 GLN 35 HE22 GLN 35 21.682 11.142 -9.876
228 H HIS 36 H HIS 36 14.930 12.944 -13.766
229 HA HIS 36 HA HIS 36 14.329 14.346 -15.462
230 HB2 HIS 36 HB2 HIS 36 15.991 16.444 -14.057
231 HB3 HIS 36 HB3 HIS 36 14.558 16.685 -15.047
232 HD1 HIS 36 HD1 HIS 36 12.480 17.054 -13.741
233 HD2 HIS 36 HD2 HIS 36 15.277 14.870 -11.585
234 HE1 HIS 36 HE1 HIS 36 11.482 16.729 -11.459
235 HA PRO 37 HA PRO 37 18.524 13.818 -17.518
236 HB2 PRO 37 HB2 PRO 37 17.585 12.307 -19.589
237 HB3 PRO 37 HB3 PRO 37 18.153 11.624 -18.061
238 HG2 PRO 37 HG2 PRO 37 15.356 12.182 -18.966
239 HG3 PRO 37 HG3 PRO 37 15.994 10.763 -18.115
240 HD2 PRO 37 HD2 PRO 37 14.650 12.699 -16.825
241 HD3 PRO 37 HD3 PRO 37 16.002 11.836 -16.069
242 H ASN 38 H ASN 38 15.342 14.698 -18.719
243 HA ASN 38 HA ASN 38 16.591 16.150 -20.939
244 HB2 ASN 38 HB2 ASN 38 14.645 14.551 -21.348
245 HB3 ASN 38 HB3 ASN 38 13.631 15.735 -20.532
246 HD21 ASN 38 HD21 ASN 38 16.345 16.442 -22.672
247 HD22 ASN 38 HD22 ASN 38 15.404 17.195 -23.906
248 H GLY 39 H GLY 39 15.624 16.681 -17.835
249 HA2 GLY 39 HA2 GLY 39 15.811 18.752 -16.743
250 HA3 GLY 39 HA3 GLY 39 15.594 19.562 -18.287
251 H GLU 40 H GLU 40 13.350 17.156 -18.023
252 HA GLU 40 HA GLU 40 11.184 18.963 -17.817
253 HB2 GLU 40 HB2 GLU 40 10.893 16.999 -19.146
254 HB3 GLU 40 HB3 GLU 40 11.325 15.953 -17.802
255 HG2 GLU 40 HG2 GLU 40 9.287 16.806 -16.622
256 HG3 GLU 40 HG3 GLU 40 8.813 17.559 -18.147
257 HA PRO 41 HA PRO 41 10.990 18.866 -13.291
258 HB2 PRO 41 HB2 PRO 41 8.646 20.594 -13.657
259 HB3 PRO 41 HB3 PRO 41 10.173 20.951 -12.846
260 HG2 PRO 41 HG2 PRO 41 9.493 22.093 -15.195
261 HG3 PRO 41 HG3 PRO 41 11.173 21.717 -14.774
262 HD2 PRO 41 HD2 PRO 41 9.281 20.213 -16.546
263 HD3 PRO 41 HD3 PRO 41 11.007 20.571 -16.778
264 H CYS 42 H CYS 42 9.294 18.230 -11.748
265 HA CYS 42 HA CYS 42 7.586 16.190 -12.913
266 HB2 CYS 42 HB2 CYS 42 7.296 15.546 -10.516
267 HB3 CYS 42 HB3 CYS 42 8.977 15.571 -11.049
268 HA PRO 43 HA PRO 43 3.785 18.429 -12.244
269 HB2 PRO 43 HB2 PRO 43 2.026 16.502 -11.623
270 HB3 PRO 43 HB3 PRO 43 2.772 16.594 -13.223
271 HG2 PRO 43 HG2 PRO 43 3.483 14.839 -10.904
272 HG3 PRO 43 HG3 PRO 43 3.346 14.421 -12.622
273 HD2 PRO 43 HD2 PRO 43 5.721 14.916 -11.382
274 HD3 PRO 43 HD3 PRO 43 5.443 15.208 -13.107
275 H ALA 44 H ALA 44 5.559 18.233 -9.836
276 HA ALA 44 HA ALA 44 3.996 17.769 -7.517
277 HB1 ALA 44 HB1 ALA 44 6.447 17.798 -7.481
278 HB2 ALA 44 HB2 ALA 44 5.787 18.963 -6.334
279 HB3 ALA 44 HB3 ALA 44 6.437 19.516 -7.877
280 HA PRO 45 HA PRO 45 1.347 21.273 -6.897
281 HB2 PRO 45 HB2 PRO 45 2.941 21.950 -4.465
282 HB3 PRO 45 HB3 PRO 45 1.192 21.777 -4.648
283 HG2 PRO 45 HG2 PRO 45 2.632 19.856 -3.504
284 HG3 PRO 45 HG3 PRO 45 1.279 19.461 -4.579
285 HD2 PRO 45 HD2 PRO 45 4.208 19.283 -5.064
286 HD3 PRO 45 HD3 PRO 45 2.894 18.274 -5.700
287 H ASP 46 H ASP 46 4.454 22.414 -5.541
288 HA ASP 46 HA ASP 46 4.353 24.609 -7.508
289 HB2 ASP 46 HB2 ASP 46 5.415 24.629 -4.681
290 HB3 ASP 46 HB3 ASP 46 5.762 25.899 -5.848
291 H CYS 47 H CYS 47 6.014 21.913 -6.406
292 HA CYS 47 HA CYS 47 7.930 20.883 -7.040
293 HB2 CYS 47 HB2 CYS 47 6.858 21.282 -9.240
294 HB3 CYS 47 HB3 CYS 47 7.755 22.786 -9.378
295 H HIS 48 H HIS 48 10.286 21.577 -8.159
296 HA HIS 48 HA HIS 48 11.357 24.096 -7.486
297 HB2 HIS 48 HB2 HIS 48 10.998 23.176 -5.160
298 HB3 HIS 48 HB3 HIS 48 12.199 21.944 -5.537
299 HD1 HIS 48 HD1 HIS 48 14.694 22.683 -5.607
300 HD2 HIS 48 HD2 HIS 48 12.011 25.768 -4.786
301 HE1 HIS 48 HE1 HIS 48 16.087 24.621 -4.851
302 HE2 HIS 48 HE2 HIS 48 14.468 26.524 -4.593
303 H CYS 49 H CYS 49 11.875 20.693 -8.180
304 HA CYS 49 HA CYS 49 14.668 21.026 -8.690
305 HB2 CYS 49 HB2 CYS 49 14.446 18.655 -9.580
306 HB3 CYS 49 HB3 CYS 49 14.084 18.919 -7.876
307 H GLU 50 H GLU 50 14.786 22.620 -10.255
308 HA GLU 50 HA GLU 50 13.939 21.854 -12.963
309 HB2 GLU 50 HB2 GLU 50 15.135 24.432 -11.931
310 HB3 GLU 50 HB3 GLU 50 14.643 24.140 -13.588
311 HG2 GLU 50 HG2 GLU 50 12.329 23.869 -12.843
312 HG3 GLU 50 HG3 GLU 50 12.838 24.202 -11.186
313 H ARG 51 H ARG 51 16.589 22.020 -10.857
314 HA ARG 51 HA ARG 51 18.598 21.931 -12.952
315 HB2 ARG 51 HB2 ARG 51 20.188 21.915 -11.003
316 HB3 ARG 51 HB3 ARG 51 19.175 23.342 -11.135
317 HG2 ARG 51 HG2 ARG 51 17.694 22.454 -9.401
318 HG3 ARG 51 HG3 ARG 51 18.723 21.025 -9.264
319 HD2 ARG 51 HD2 ARG 51 20.591 22.427 -8.604
320 HD3 ARG 51 HD3 ARG 51 19.589 23.866 -8.775
321 HE ARG 51 HE ARG 51 18.198 22.426 -6.991
322 HH11 ARG 51 HH11 ARG 51 21.593 23.251 -7.191
323 HH12 ARG 51 HH12 ARG 51 21.824 23.303 -5.481
324 HH21 ARG 51 HH21 ARG 51 18.483 22.469 -4.705
325 HH22 ARG 51 HH22 ARG 51 20.046 22.846 -4.062
326 H SER 52 H SER 52 19.403 20.107 -13.704
327 HA SER 52 HA SER 52 19.649 17.755 -12.045
328 HB2 SER 52 HB2 SER 52 17.909 17.712 -14.517
329 HB3 SER 52 HB3 SER 52 18.360 16.310 -13.548
330 HG SER 52 HG SER 52 17.340 18.160 -11.925
Start of MODEL 9
1 HA ASN 1 HA ASN 1 5.233 3.682 5.486
2 HB2 ASN 1 HB2 ASN 1 2.795 3.439 5.485
3 HB3 ASN 1 HB3 ASN 1 3.446 3.034 7.068
4 HD21 ASN 1 HD21 ASN 1 3.061 4.420 8.801
5 HD22 ASN 1 HD22 ASN 1 1.822 5.620 8.755
6 H GLU 2 H GLU 2 5.435 6.817 6.173
7 HA GLU 2 HA GLU 2 3.814 8.100 4.261
8 HB2 GLU 2 HB2 GLU 2 6.456 8.932 5.467
9 HB3 GLU 2 HB3 GLU 2 5.490 9.970 4.434
10 HG2 GLU 2 HG2 GLU 2 5.087 10.605 6.682
11 HG3 GLU 2 HG3 GLU 2 3.645 9.778 6.103
12 H LEU 3 H LEU 3 4.174 8.663 2.161
13 HA LEU 3 HA LEU 3 6.457 7.328 0.877
14 HB2 LEU 3 HB2 LEU 3 4.147 6.446 0.387
15 HB3 LEU 3 HB3 LEU 3 3.793 7.984 -0.371
16 HG LEU 3 HG LEU 3 5.540 7.572 -2.042
17 HD11 LEU 3 HD11 LEU 3 5.861 4.937 -0.617
18 HD12 LEU 3 HD12 LEU 3 7.062 6.224 -0.737
19 HD13 LEU 3 HD13 LEU 3 6.568 5.341 -2.180
20 HD21 LEU 3 HD21 LEU 3 4.415 5.754 -3.224
21 HD22 LEU 3 HD22 LEU 3 3.256 6.870 -2.500
22 HD23 LEU 3 HD23 LEU 3 3.572 5.310 -1.740
23 H ARG 4 H ARG 4 7.943 8.740 0.271
24 HA ARG 4 HA ARG 4 7.065 11.371 -0.721
25 HB2 ARG 4 HB2 ARG 4 9.605 10.723 0.797
26 HB3 ARG 4 HB3 ARG 4 9.247 12.279 0.070
27 HG2 ARG 4 HG2 ARG 4 8.601 12.741 2.189
28 HG3 ARG 4 HG3 ARG 4 7.084 12.050 1.611
29 HD2 ARG 4 HD2 ARG 4 7.650 11.108 3.765
30 HD3 ARG 4 HD3 ARG 4 7.767 9.863 2.522
31 HE ARG 4 HE ARG 4 10.294 10.794 2.672
32 HH11 ARG 4 HH11 ARG 4 8.068 9.709 5.147
33 HH12 ARG 4 HH12 ARG 4 9.303 9.071 6.172
34 HH21 ARG 4 HH21 ARG 4 11.940 9.971 4.029
35 HH22 ARG 4 HH22 ARG 4 11.523 9.228 5.535
36 H CYS 5 H CYS 5 8.680 12.378 -2.232
37 HA CYS 5 HA CYS 5 9.431 10.427 -4.203
38 HB2 CYS 5 HB2 CYS 5 8.426 12.672 -4.765
39 HB3 CYS 5 HB3 CYS 5 9.935 13.411 -4.245
40 H GLY 6 H GLY 6 11.454 9.830 -4.756
41 HA2 GLY 6 HA2 GLY 6 13.478 9.937 -2.775
42 HA3 GLY 6 HA3 GLY 6 13.630 9.299 -4.403
43 H CYS 7 H CYS 7 12.728 12.035 -5.342
44 HA CYS 7 HA CYS 7 15.232 13.031 -6.037
45 HB2 CYS 7 HB2 CYS 7 12.870 13.577 -6.998
46 HB3 CYS 7 HB3 CYS 7 12.864 14.849 -5.789
47 HA PRO 8 HA PRO 8 16.334 14.732 -2.004
48 HB2 PRO 8 HB2 PRO 8 18.720 15.614 -3.516
49 HB3 PRO 8 HB3 PRO 8 18.625 14.627 -2.057
50 HG2 PRO 8 HG2 PRO 8 19.276 13.556 -4.423
51 HG3 PRO 8 HG3 PRO 8 18.300 12.670 -3.237
52 HD2 PRO 8 HD2 PRO 8 17.433 14.080 -5.729
53 HD3 PRO 8 HD3 PRO 8 16.864 12.543 -5.031
54 H ASP 9 H ASP 9 16.014 16.279 -5.048
55 HA ASP 9 HA ASP 9 16.363 18.930 -3.869
56 HB2 ASP 9 HB2 ASP 9 16.204 17.998 -6.725
57 HB3 ASP 9 HB3 ASP 9 16.143 19.699 -6.276
58 H CYS 10 H CYS 10 13.846 16.776 -4.454
59 HA CYS 10 HA CYS 10 11.954 19.007 -4.431
60 HB2 CYS 10 HB2 CYS 10 12.449 18.065 -6.811
61 HB3 CYS 10 HB3 CYS 10 11.425 16.732 -6.301
62 H HIS 11 H HIS 11 9.988 18.585 -3.510
63 HA HIS 11 HA HIS 11 9.625 15.900 -2.375
64 HB2 HIS 11 HB2 HIS 11 8.964 18.586 -1.148
65 HB3 HIS 11 HB3 HIS 11 8.315 17.069 -0.536
66 HD2 HIS 11 HD2 HIS 11 11.928 18.598 -1.071
67 HE1 HIS 11 HE1 HIS 11 11.953 16.001 2.277
68 HE2 HIS 11 HE2 HIS 11 13.186 17.809 1.034
69 H CYS 12 H CYS 12 8.316 15.097 -3.860
70 HA CYS 12 HA CYS 12 6.060 16.686 -4.823
71 HB2 CYS 12 HB2 CYS 12 6.848 14.014 -5.889
72 HB3 CYS 12 HB3 CYS 12 6.103 15.371 -6.728
73 H LYS 13 H LYS 13 3.977 15.685 -5.008
74 HA LYS 13 HA LYS 13 3.335 13.980 -2.791
75 HB2 LYS 13 HB2 LYS 13 1.014 14.177 -3.591
76 HB3 LYS 13 HB3 LYS 13 1.781 15.736 -3.354
77 HG2 LYS 13 HG2 LYS 13 1.777 16.242 -5.578
78 HG3 LYS 13 HG3 LYS 13 1.854 14.550 -6.076
79 HD2 LYS 13 HD2 LYS 13 -0.541 15.859 -4.817
80 HD3 LYS 13 HD3 LYS 13 -0.329 15.635 -6.557
81 HE2 LYS 13 HE2 LYS 13 -0.480 13.454 -4.463
82 HE3 LYS 13 HE3 LYS 13 -1.740 13.877 -5.620
83 HZ1 LYS 13 HZ1 LYS 13 -0.494 11.944 -6.338
84 HZ2 LYS 13 HZ2 LYS 13 0.953 12.814 -6.304
85 HZ3 LYS 13 HZ3 LYS 13 -0.253 13.222 -7.411
86 H VAL 14 H VAL 14 3.886 11.925 -2.977
87 HA VAL 14 HA VAL 14 3.878 10.668 -5.591
88 HB VAL 14 HB VAL 14 4.794 9.536 -2.941
89 HG11 VAL 14 HG11 VAL 14 5.963 7.880 -4.310
90 HG12 VAL 14 HG12 VAL 14 5.269 8.590 -5.768
91 HG13 VAL 14 HG13 VAL 14 4.221 7.815 -4.579
92 HG21 VAL 14 HG21 VAL 14 7.048 10.023 -3.745
93 HG22 VAL 14 HG22 VAL 14 6.086 11.494 -3.594
94 HG23 VAL 14 HG23 VAL 14 6.369 10.783 -5.184
95 H ASP 15 H ASP 15 2.517 9.177 -6.253
96 HA ASP 15 HA ASP 15 0.260 8.506 -4.504
97 HB2 ASP 15 HB2 ASP 15 -0.087 9.607 -6.792
98 HB3 ASP 15 HB3 ASP 15 0.454 8.090 -7.478
99 HA PRO 16 HA PRO 16 1.967 4.393 -4.135
100 HB2 PRO 16 HB2 PRO 16 -0.851 3.636 -3.598
101 HB3 PRO 16 HB3 PRO 16 0.589 3.379 -2.607
102 HG2 PRO 16 HG2 PRO 16 -1.216 5.219 -1.932
103 HG3 PRO 16 HG3 PRO 16 0.518 5.515 -1.711
104 HD2 PRO 16 HD2 PRO 16 -1.320 6.528 -3.844
105 HD3 PRO 16 HD3 PRO 16 -0.013 7.368 -2.980
106 H GLU 17 H GLU 17 -0.765 5.220 -6.140
107 HA GLU 17 HA GLU 17 -0.704 2.679 -7.543
108 HB2 GLU 17 HB2 GLU 17 -2.849 3.827 -7.011
109 HB3 GLU 17 HB3 GLU 17 -2.362 5.156 -8.045
110 HG2 GLU 17 HG2 GLU 17 -3.941 3.720 -9.169
111 HG3 GLU 17 HG3 GLU 17 -2.371 3.666 -9.970
112 H ARG 18 H ARG 18 0.475 5.919 -7.855
113 HA ARG 18 HA ARG 18 1.550 5.256 -10.517
114 HB2 ARG 18 HB2 ARG 18 0.668 7.999 -9.583
115 HB3 ARG 18 HB3 ARG 18 1.376 7.621 -11.144
116 HG2 ARG 18 HG2 ARG 18 -0.680 7.338 -11.928
117 HG3 ARG 18 HG3 ARG 18 -0.806 5.915 -10.891
118 HD2 ARG 18 HD2 ARG 18 -2.677 7.399 -10.497
119 HD3 ARG 18 HD3 ARG 18 -1.645 7.313 -9.070
120 HE ARG 18 HE ARG 18 -0.825 9.494 -10.619
121 HH11 ARG 18 HH11 ARG 18 -3.555 8.499 -8.673
122 HH12 ARG 18 HH12 ARG 18 -4.030 10.107 -8.265
123 HH21 ARG 18 HH21 ARG 18 -1.436 11.639 -10.090
124 HH22 ARG 18 HH22 ARG 18 -2.820 11.914 -9.090
125 H VAL 19 H VAL 19 3.145 4.491 -8.650
126 HA VAL 19 HA VAL 19 5.032 6.700 -8.227
127 HB VAL 19 HB VAL 19 4.339 5.994 -6.066
128 HG11 VAL 19 HG11 VAL 19 4.491 3.656 -5.299
129 HG12 VAL 19 HG12 VAL 19 4.864 3.166 -6.954
130 HG13 VAL 19 HG13 VAL 19 3.300 3.898 -6.578
131 HG21 VAL 19 HG21 VAL 19 6.983 4.694 -6.688
132 HG22 VAL 19 HG22 VAL 19 6.386 5.075 -5.073
133 HG23 VAL 19 HG23 VAL 19 6.714 6.374 -6.220
134 H PHE 20 H PHE 20 6.944 6.581 -9.116
135 HA PHE 20 HA PHE 20 7.639 4.208 -10.637
136 HB2 PHE 20 HB2 PHE 20 8.165 7.031 -10.865
137 HB3 PHE 20 HB3 PHE 20 9.676 6.135 -10.889
138 HD1 PHE 20 HD1 PHE 20 6.500 6.692 -12.574
139 HD2 PHE 20 HD2 PHE 20 10.230 4.683 -12.715
140 HE1 PHE 20 HE1 PHE 20 6.100 6.138 -14.939
141 HE2 PHE 20 HE2 PHE 20 9.848 4.123 -15.081
142 HZ PHE 20 HZ PHE 20 7.780 4.850 -16.195
143 H ASN 21 H ASN 21 8.610 2.670 -9.532
144 HA ASN 21 HA ASN 21 10.364 3.330 -7.319
145 HB2 ASN 21 HB2 ASN 21 8.783 1.415 -7.155
146 HB3 ASN 21 HB3 ASN 21 9.652 0.621 -8.463
147 HD21 ASN 21 HD21 ASN 21 11.757 -0.149 -8.083
148 HD22 ASN 21 HD22 ASN 21 12.326 -0.448 -6.480
149 H HIS 22 H HIS 22 12.426 3.690 -7.610
150 HA HIS 22 HA HIS 22 13.852 2.231 -9.700
151 HB2 HIS 22 HB2 HIS 22 13.234 4.400 -10.693
152 HB3 HIS 22 HB3 HIS 22 13.960 5.244 -9.335
153 HD2 HIS 22 HD2 HIS 22 16.856 5.036 -9.285
154 HE1 HIS 22 HE1 HIS 22 17.087 4.124 -13.418
155 HE2 HIS 22 HE2 HIS 22 18.388 4.573 -11.315
156 H ASP 23 H ASP 23 15.676 1.394 -8.941
157 HA ASP 23 HA ASP 23 17.470 0.928 -7.628
158 HB2 ASP 23 HB2 ASP 23 18.035 3.344 -8.220
159 HB3 ASP 23 HB3 ASP 23 17.347 3.802 -6.669
160 H GLY 24 H GLY 24 14.691 0.752 -6.680
161 HA2 GLY 24 HA2 GLY 24 13.766 -0.189 -4.767
162 HA3 GLY 24 HA3 GLY 24 15.271 0.130 -3.916
163 H GLU 25 H GLU 25 14.419 2.929 -5.405
164 HA GLU 25 HA GLU 25 13.207 3.946 -2.934
165 HB2 GLU 25 HB2 GLU 25 15.430 4.849 -3.828
166 HB3 GLU 25 HB3 GLU 25 14.481 5.555 -5.124
167 HG2 GLU 25 HG2 GLU 25 13.372 7.016 -3.675
168 HG3 GLU 25 HG3 GLU 25 13.905 6.129 -2.245
169 H ALA 26 H ALA 26 11.541 5.548 -3.156
170 HA ALA 26 HA ALA 26 9.783 4.932 -5.413
171 HB1 ALA 26 HB1 ALA 26 7.979 5.787 -4.020
172 HB2 ALA 26 HB2 ALA 26 9.139 6.237 -2.770
173 HB3 ALA 26 HB3 ALA 26 8.887 4.538 -3.169
174 H TYR 27 H TYR 27 9.006 6.477 -6.760
175 HA TYR 27 HA TYR 27 9.792 9.257 -6.272
176 HB2 TYR 27 HB2 TYR 27 10.227 7.741 -8.851
177 HB3 TYR 27 HB3 TYR 27 10.428 9.477 -8.657
178 HD1 TYR 27 HD1 TYR 27 11.895 6.191 -8.076
179 HD2 TYR 27 HD2 TYR 27 12.298 10.356 -7.321
180 HE1 TYR 27 HE1 TYR 27 14.228 5.841 -7.414
181 HE2 TYR 27 HE2 TYR 27 14.636 10.009 -6.666
182 HH TYR 27 HH TYR 27 15.946 8.011 -5.677
183 H CYS 28 H CYS 28 8.476 10.790 -7.310
184 HA CYS 28 HA CYS 28 5.756 10.086 -7.495
185 HB2 CYS 28 HB2 CYS 28 5.419 12.378 -8.249
186 HB3 CYS 28 HB3 CYS 28 6.567 12.332 -6.912
187 H SER 29 H SER 29 8.211 10.731 -9.940
188 HA SER 29 HA SER 29 6.605 9.366 -11.936
189 HB2 SER 29 HB2 SER 29 6.981 11.230 -13.556
190 HB3 SER 29 HB3 SER 29 5.942 11.690 -12.205
191 HG SER 29 HG SER 29 7.717 12.715 -11.243
192 H GLN 30 H GLN 30 7.980 9.368 -14.074
193 HA GLN 30 HA GLN 30 10.423 8.088 -13.425
194 HB2 GLN 30 HB2 GLN 30 10.704 7.662 -15.753
195 HB3 GLN 30 HB3 GLN 30 9.008 7.456 -15.369
196 HG2 GLN 30 HG2 GLN 30 10.214 9.870 -16.684
197 HG3 GLN 30 HG3 GLN 30 9.388 8.566 -17.527
198 HE21 GLN 30 HE21 GLN 30 9.072 11.459 -15.736
199 HE22 GLN 30 HE22 GLN 30 7.345 11.576 -15.786
200 H ALA 31 H ALA 31 9.668 11.350 -13.860
201 HA ALA 31 HA ALA 31 12.106 12.286 -14.999
202 HB1 ALA 31 HB1 ALA 31 10.150 13.736 -13.210
203 HB2 ALA 31 HB2 ALA 31 10.057 13.643 -14.969
204 HB3 ALA 31 HB3 ALA 31 11.403 14.484 -14.200
205 H CYS 32 H CYS 32 10.956 12.470 -11.638
206 HA CYS 32 HA CYS 32 13.515 13.101 -10.617
207 HB2 CYS 32 HB2 CYS 32 11.030 12.029 -9.276
208 HB3 CYS 32 HB3 CYS 32 12.463 12.547 -8.409
209 H ALA 33 H ALA 33 11.945 10.159 -11.419
210 HA ALA 33 HA ALA 33 13.188 8.343 -9.675
211 HB1 ALA 33 HB1 ALA 33 12.231 7.749 -12.468
212 HB2 ALA 33 HB2 ALA 33 11.194 7.834 -11.045
213 HB3 ALA 33 HB3 ALA 33 12.446 6.597 -11.149
214 H GLU 34 H GLU 34 14.129 9.359 -12.911
215 HA GLU 34 HA GLU 34 16.605 7.819 -12.625
216 HB2 GLU 34 HB2 GLU 34 15.332 9.054 -15.063
217 HB3 GLU 34 HB3 GLU 34 16.885 8.229 -15.069
218 HG2 GLU 34 HG2 GLU 34 15.723 6.187 -14.249
219 HG3 GLU 34 HG3 GLU 34 14.193 7.039 -14.450
220 H GLN 35 H GLN 35 15.820 10.554 -11.510
221 HA GLN 35 HA GLN 35 16.895 12.448 -10.925
222 HB2 GLN 35 HB2 GLN 35 19.244 10.999 -12.131
223 HB3 GLN 35 HB3 GLN 35 19.392 12.605 -11.434
224 HG2 GLN 35 HG2 GLN 35 18.507 10.106 -10.008
225 HG3 GLN 35 HG3 GLN 35 20.057 10.928 -9.832
226 HE21 GLN 35 HE21 GLN 35 20.131 12.912 -8.746
227 HE22 GLN 35 HE22 GLN 35 18.857 13.418 -7.697
228 H HIS 36 H HIS 36 15.536 12.129 -13.443
229 HA HIS 36 HA HIS 36 14.956 13.353 -15.241
230 HB2 HIS 36 HB2 HIS 36 16.745 15.542 -14.149
231 HB3 HIS 36 HB3 HIS 36 15.365 15.729 -15.224
232 HD1 HIS 36 HD1 HIS 36 13.275 16.473 -14.053
233 HD2 HIS 36 HD2 HIS 36 15.808 14.372 -11.511
234 HE1 HIS 36 HE1 HIS 36 12.212 16.581 -11.779
235 HA PRO 37 HA PRO 37 18.783 12.043 -17.407
236 HB2 PRO 37 HB2 PRO 37 17.436 11.037 -19.571
237 HB3 PRO 37 HB3 PRO 37 17.775 10.105 -18.109
238 HG2 PRO 37 HG2 PRO 37 15.271 11.528 -18.914
239 HG3 PRO 37 HG3 PRO 37 15.460 9.932 -18.160
240 HD2 PRO 37 HD2 PRO 37 14.746 12.103 -16.745
241 HD3 PRO 37 HD3 PRO 37 15.772 10.833 -16.050
242 H ASN 38 H ASN 38 15.967 13.763 -18.643
243 HA ASN 38 HA ASN 38 17.673 15.111 -20.628
244 HB2 ASN 38 HB2 ASN 38 15.630 13.995 -21.455
245 HB3 ASN 38 HB3 ASN 38 14.668 15.059 -20.432
246 HD21 ASN 38 HD21 ASN 38 16.874 14.929 -23.121
247 HD22 ASN 38 HD22 ASN 38 16.408 16.437 -23.807
248 H GLY 39 H GLY 39 15.878 15.560 -17.738
249 HA2 GLY 39 HA2 GLY 39 16.300 17.460 -16.330
250 HA3 GLY 39 HA3 GLY 39 16.599 18.416 -17.779
251 H GLU 40 H GLU 40 13.997 16.167 -17.464
252 HA GLU 40 HA GLU 40 12.078 18.228 -18.044
253 HB2 GLU 40 HB2 GLU 40 10.460 16.303 -18.037
254 HB3 GLU 40 HB3 GLU 40 11.769 16.161 -19.199
255 HG2 GLU 40 HG2 GLU 40 11.914 14.848 -16.507
256 HG3 GLU 40 HG3 GLU 40 11.072 14.095 -17.857
257 HA PRO 41 HA PRO 41 11.061 18.933 -13.730
258 HB2 PRO 41 HB2 PRO 41 8.618 20.152 -14.871
259 HB3 PRO 41 HB3 PRO 41 9.850 20.876 -13.831
260 HG2 PRO 41 HG2 PRO 41 9.665 21.527 -16.416
261 HG3 PRO 41 HG3 PRO 41 11.236 21.396 -15.605
262 HD2 PRO 41 HD2 PRO 41 9.886 19.454 -17.441
263 HD3 PRO 41 HD3 PRO 41 11.594 19.937 -17.357
264 H CYS 42 H CYS 42 9.662 18.003 -12.250
265 HA CYS 42 HA CYS 42 8.070 15.797 -13.249
266 HB2 CYS 42 HB2 CYS 42 8.023 15.118 -10.884
267 HB3 CYS 42 HB3 CYS 42 9.662 15.476 -11.404
268 HA PRO 43 HA PRO 43 4.119 17.746 -12.562
269 HB2 PRO 43 HB2 PRO 43 2.557 15.768 -11.631
270 HB3 PRO 43 HB3 PRO 43 3.191 15.759 -13.281
271 HG2 PRO 43 HG2 PRO 43 4.197 14.312 -10.860
272 HG3 PRO 43 HG3 PRO 43 3.971 13.703 -12.511
273 HD2 PRO 43 HD2 PRO 43 6.382 14.475 -11.543
274 HD3 PRO 43 HD3 PRO 43 5.942 14.623 -13.254
275 H ALA 44 H ALA 44 6.023 17.857 -10.205
276 HA ALA 44 HA ALA 44 4.359 17.633 -7.869
277 HB1 ALA 44 HB1 ALA 44 6.773 17.278 -7.723
278 HB2 ALA 44 HB2 ALA 44 6.265 18.608 -6.682
279 HB3 ALA 44 HB3 ALA 44 7.053 18.946 -8.222
280 HA PRO 45 HA PRO 45 2.297 21.541 -8.174
281 HB2 PRO 45 HB2 PRO 45 1.985 22.021 -5.462
282 HB3 PRO 45 HB3 PRO 45 0.917 21.004 -6.433
283 HG2 PRO 45 HG2 PRO 45 3.170 20.215 -4.635
284 HG3 PRO 45 HG3 PRO 45 1.597 19.431 -4.875
285 HD2 PRO 45 HD2 PRO 45 3.843 18.466 -5.984
286 HD3 PRO 45 HD3 PRO 45 2.280 18.379 -6.822
287 H ASP 46 H ASP 46 4.437 21.584 -5.310
288 HA ASP 46 HA ASP 46 5.310 24.279 -6.022
289 HB2 ASP 46 HB2 ASP 46 6.170 24.414 -3.780
290 HB3 ASP 46 HB3 ASP 46 4.563 23.702 -3.684
291 H CYS 47 H CYS 47 6.105 21.884 -7.490
292 HA CYS 47 HA CYS 47 8.299 20.520 -7.296
293 HB2 CYS 47 HB2 CYS 47 7.096 20.829 -9.397
294 HB3 CYS 47 HB3 CYS 47 7.847 22.407 -9.601
295 H HIS 48 H HIS 48 10.179 20.780 -6.357
296 HA HIS 48 HA HIS 48 11.349 23.461 -6.231
297 HB2 HIS 48 HB2 HIS 48 10.860 22.138 -4.138
298 HB3 HIS 48 HB3 HIS 48 12.138 21.035 -4.625
299 HD1 HIS 48 HD1 HIS 48 14.467 21.646 -3.967
300 HD2 HIS 48 HD2 HIS 48 11.826 24.830 -3.578
301 HE1 HIS 48 HE1 HIS 48 15.756 23.461 -2.788
302 HE2 HIS 48 HE2 HIS 48 14.074 25.289 -2.397
303 H CYS 49 H CYS 49 11.825 20.464 -7.823
304 HA CYS 49 HA CYS 49 14.677 20.983 -8.188
305 HB2 CYS 49 HB2 CYS 49 14.770 18.802 -9.272
306 HB3 CYS 49 HB3 CYS 49 14.010 18.670 -7.693
307 H GLU 50 H GLU 50 15.606 20.944 -10.304
308 HA GLU 50 HA GLU 50 15.846 21.595 -12.454
309 HB2 GLU 50 HB2 GLU 50 14.168 19.651 -12.614
310 HB3 GLU 50 HB3 GLU 50 12.975 20.905 -12.932
311 HG2 GLU 50 HG2 GLU 50 13.819 19.967 -14.955
312 HG3 GLU 50 HG3 GLU 50 14.256 21.665 -14.826
313 H ARG 51 H ARG 51 14.857 23.445 -10.503
314 HA ARG 51 HA ARG 51 13.001 25.220 -11.772
315 HB2 ARG 51 HB2 ARG 51 14.686 25.488 -9.311
316 HB3 ARG 51 HB3 ARG 51 13.765 26.838 -9.946
317 HG2 ARG 51 HG2 ARG 51 11.739 25.450 -9.804
318 HG3 ARG 51 HG3 ARG 51 12.696 24.205 -8.995
319 HD2 ARG 51 HD2 ARG 51 13.262 25.806 -7.227
320 HD3 ARG 51 HD3 ARG 51 12.301 27.039 -8.040
321 HE ARG 51 HE ARG 51 10.754 24.714 -7.509
322 HH11 ARG 51 HH11 ARG 51 12.028 27.624 -6.027
323 HH12 ARG 51 HH12 ARG 51 10.882 27.625 -4.735
324 HH21 ARG 51 HH21 ARG 51 9.208 24.722 -5.797
325 HH22 ARG 51 HH22 ARG 51 9.265 25.981 -4.616
326 H SER 52 H SER 52 13.490 27.475 -12.202
327 HA SER 52 HA SER 52 15.699 27.606 -13.970
328 HB2 SER 52 HB2 SER 52 13.838 29.831 -13.151
329 HB3 SER 52 HB3 SER 52 14.819 29.751 -14.614
330 HG SER 52 HG SER 52 13.492 27.620 -14.813
Start of MODEL 10
1 HA ASN 1 HA ASN 1 1.566 5.436 3.220
2 HB2 ASN 1 HB2 ASN 1 -0.187 6.268 1.702
3 HB3 ASN 1 HB3 ASN 1 0.141 7.918 2.220
4 HD21 ASN 1 HD21 ASN 1 0.697 8.617 0.177
5 HD22 ASN 1 HD22 ASN 1 2.154 8.138 -0.620
6 H GLU 2 H GLU 2 3.637 6.055 3.265
7 HA GLU 2 HA GLU 2 4.301 8.753 4.203
8 HB2 GLU 2 HB2 GLU 2 6.140 7.825 5.558
9 HB3 GLU 2 HB3 GLU 2 4.562 7.302 6.127
10 HG2 GLU 2 HG2 GLU 2 4.861 5.128 5.297
11 HG3 GLU 2 HG3 GLU 2 6.231 5.615 4.298
12 H LEU 3 H LEU 3 4.335 6.877 1.699
13 HA LEU 3 HA LEU 3 7.057 6.625 0.967
14 HB2 LEU 3 HB2 LEU 3 5.098 5.313 0.063
15 HB3 LEU 3 HB3 LEU 3 4.666 6.735 -0.864
16 HG LEU 3 HG LEU 3 6.737 6.587 -2.124
17 HD11 LEU 3 HD11 LEU 3 7.317 4.217 -0.356
18 HD12 LEU 3 HD12 LEU 3 8.225 5.728 -0.444
19 HD13 LEU 3 HD13 LEU 3 8.215 4.625 -1.816
20 HD21 LEU 3 HD21 LEU 3 6.313 4.439 -3.263
21 HD22 LEU 3 HD22 LEU 3 4.834 5.353 -2.965
22 HD23 LEU 3 HD23 LEU 3 5.241 3.974 -1.943
23 H ARG 4 H ARG 4 8.374 8.209 0.460
24 HA ARG 4 HA ARG 4 7.238 10.769 -0.409
25 HB2 ARG 4 HB2 ARG 4 9.275 11.798 0.425
26 HB3 ARG 4 HB3 ARG 4 8.560 10.796 1.682
27 HG2 ARG 4 HG2 ARG 4 10.164 9.014 1.146
28 HG3 ARG 4 HG3 ARG 4 10.899 10.061 -0.067
29 HD2 ARG 4 HD2 ARG 4 10.706 10.654 2.877
30 HD3 ARG 4 HD3 ARG 4 12.135 10.032 2.058
31 HE ARG 4 HE ARG 4 10.985 12.720 1.743
32 HH11 ARG 4 HH11 ARG 4 13.602 10.462 1.101
33 HH12 ARG 4 HH12 ARG 4 14.728 11.698 0.668
34 HH21 ARG 4 HH21 ARG 4 12.484 14.356 1.174
35 HH22 ARG 4 HH22 ARG 4 14.097 13.923 0.723
36 H CYS 5 H CYS 5 8.631 12.045 -1.874
37 HA CYS 5 HA CYS 5 9.354 10.498 -4.153
38 HB2 CYS 5 HB2 CYS 5 8.240 12.717 -4.289
39 HB3 CYS 5 HB3 CYS 5 9.689 13.460 -3.627
40 H GLY 6 H GLY 6 11.373 10.012 -4.886
41 HA2 GLY 6 HA2 GLY 6 13.503 9.888 -3.043
42 HA3 GLY 6 HA3 GLY 6 13.590 9.547 -4.765
43 H CYS 7 H CYS 7 12.625 12.263 -5.394
44 HA CYS 7 HA CYS 7 15.113 13.495 -5.749
45 HB2 CYS 7 HB2 CYS 7 12.577 13.921 -6.712
46 HB3 CYS 7 HB3 CYS 7 12.819 15.321 -5.682
47 HA PRO 8 HA PRO 8 15.380 14.979 -1.534
48 HB2 PRO 8 HB2 PRO 8 17.980 15.661 -1.597
49 HB3 PRO 8 HB3 PRO 8 17.463 13.973 -1.519
50 HG2 PRO 8 HG2 PRO 8 18.379 15.564 -3.882
51 HG3 PRO 8 HG3 PRO 8 18.781 13.897 -3.431
52 HD2 PRO 8 HD2 PRO 8 16.895 14.549 -5.307
53 HD3 PRO 8 HD3 PRO 8 16.849 13.054 -4.348
54 H ASP 9 H ASP 9 15.628 16.664 -4.444
55 HA ASP 9 HA ASP 9 16.062 19.201 -3.058
56 HB2 ASP 9 HB2 ASP 9 17.392 18.511 -5.168
57 HB3 ASP 9 HB3 ASP 9 15.923 18.922 -6.047
58 H CYS 10 H CYS 10 13.555 17.283 -4.251
59 HA CYS 10 HA CYS 10 11.805 19.642 -4.321
60 HB2 CYS 10 HB2 CYS 10 12.211 18.629 -6.601
61 HB3 CYS 10 HB3 CYS 10 11.369 17.194 -6.027
62 H HIS 11 H HIS 11 9.602 19.250 -3.759
63 HA HIS 11 HA HIS 11 9.249 16.923 -1.997
64 HB2 HIS 11 HB2 HIS 11 8.097 19.692 -1.581
65 HB3 HIS 11 HB3 HIS 11 7.903 18.310 -0.510
66 HD2 HIS 11 HD2 HIS 11 10.316 17.592 0.900
67 HE1 HIS 11 HE1 HIS 11 12.204 21.306 0.137
68 HE2 HIS 11 HE2 HIS 11 12.396 19.080 1.266
69 H CYS 12 H CYS 12 8.051 15.648 -3.288
70 HA CYS 12 HA CYS 12 5.721 16.845 -4.624
71 HB2 CYS 12 HB2 CYS 12 7.020 14.204 -5.255
72 HB3 CYS 12 HB3 CYS 12 5.841 15.084 -6.222
73 H LYS 13 H LYS 13 3.963 15.184 -4.980
74 HA LYS 13 HA LYS 13 3.458 13.731 -2.504
75 HB2 LYS 13 HB2 LYS 13 1.100 13.661 -3.369
76 HB3 LYS 13 HB3 LYS 13 1.713 15.258 -2.975
77 HG2 LYS 13 HG2 LYS 13 1.952 15.844 -5.245
78 HG3 LYS 13 HG3 LYS 13 1.730 14.173 -5.772
79 HD2 LYS 13 HD2 LYS 13 -0.379 15.695 -4.286
80 HD3 LYS 13 HD3 LYS 13 -0.254 15.727 -6.048
81 HE2 LYS 13 HE2 LYS 13 -0.481 13.198 -4.423
82 HE3 LYS 13 HE3 LYS 13 -1.870 14.034 -5.120
83 HZ1 LYS 13 HZ1 LYS 13 0.419 12.863 -6.620
84 HZ2 LYS 13 HZ2 LYS 13 -0.842 13.743 -7.319
85 HZ3 LYS 13 HZ3 LYS 13 -1.161 12.267 -6.565
86 H VAL 14 H VAL 14 3.763 11.597 -2.557
87 HA VAL 14 HA VAL 14 3.807 10.295 -5.188
88 HB VAL 14 HB VAL 14 5.028 9.344 -2.589
89 HG11 VAL 14 HG11 VAL 14 6.098 7.617 -3.963
90 HG12 VAL 14 HG12 VAL 14 5.197 8.184 -5.368
91 HG13 VAL 14 HG13 VAL 14 4.340 7.479 -3.999
92 HG21 VAL 14 HG21 VAL 14 7.168 9.786 -3.705
93 HG22 VAL 14 HG22 VAL 14 6.210 11.254 -3.497
94 HG23 VAL 14 HG23 VAL 14 6.297 10.470 -5.076
95 H ASP 15 H ASP 15 2.361 8.845 -5.705
96 HA ASP 15 HA ASP 15 0.416 7.987 -3.694
97 HB2 ASP 15 HB2 ASP 15 -0.302 8.958 -5.952
98 HB3 ASP 15 HB3 ASP 15 0.333 7.492 -6.664
99 HA PRO 16 HA PRO 16 2.462 4.056 -3.326
100 HB2 PRO 16 HB2 PRO 16 -0.298 3.053 -2.832
101 HB3 PRO 16 HB3 PRO 16 1.164 2.859 -1.856
102 HG2 PRO 16 HG2 PRO 16 -0.730 4.559 -1.102
103 HG3 PRO 16 HG3 PRO 16 0.983 4.975 -0.922
104 HD2 PRO 16 HD2 PRO 16 -0.986 5.901 -2.974
105 HD3 PRO 16 HD3 PRO 16 0.298 6.808 -2.144
106 H GLU 17 H GLU 17 -0.213 4.632 -5.503
107 HA GLU 17 HA GLU 17 0.316 2.099 -6.882
108 HB2 GLU 17 HB2 GLU 17 -2.026 2.649 -6.260
109 HB3 GLU 17 HB3 GLU 17 -1.943 4.065 -7.292
110 HG2 GLU 17 HG2 GLU 17 -3.102 2.246 -8.389
111 HG3 GLU 17 HG3 GLU 17 -1.604 2.643 -9.233
112 H ARG 18 H ARG 18 0.842 5.474 -7.080
113 HA ARG 18 HA ARG 18 1.691 5.180 -9.878
114 HB2 ARG 18 HB2 ARG 18 0.621 7.698 -8.579
115 HB3 ARG 18 HB3 ARG 18 1.258 7.587 -10.210
116 HG2 ARG 18 HG2 ARG 18 -0.979 7.442 -10.640
117 HG3 ARG 18 HG3 ARG 18 -0.569 5.740 -10.446
118 HD2 ARG 18 HD2 ARG 18 -1.307 5.810 -8.138
119 HD3 ARG 18 HD3 ARG 18 -1.726 7.513 -8.321
120 HE ARG 18 HE ARG 18 -3.095 6.255 -10.307
121 HH11 ARG 18 HH11 ARG 18 -2.938 5.885 -6.815
122 HH12 ARG 18 HH12 ARG 18 -4.583 5.353 -6.683
123 HH21 ARG 18 HH21 ARG 18 -5.247 5.537 -10.125
124 HH22 ARG 18 HH22 ARG 18 -5.900 5.154 -8.574
125 H VAL 19 H VAL 19 3.514 4.394 -8.425
126 HA VAL 19 HA VAL 19 5.333 6.655 -8.053
127 HB VAL 19 HB VAL 19 4.907 5.955 -5.844
128 HG11 VAL 19 HG11 VAL 19 3.732 3.901 -6.293
129 HG12 VAL 19 HG12 VAL 19 5.002 3.616 -5.101
130 HG13 VAL 19 HG13 VAL 19 5.234 3.111 -6.776
131 HG21 VAL 19 HG21 VAL 19 7.260 6.241 -6.216
132 HG22 VAL 19 HG22 VAL 19 7.413 4.582 -6.792
133 HG23 VAL 19 HG23 VAL 19 7.019 4.895 -5.102
134 H PHE 20 H PHE 20 7.182 6.546 -9.109
135 HA PHE 20 HA PHE 20 7.767 4.140 -10.638
136 HB2 PHE 20 HB2 PHE 20 8.735 6.982 -10.779
137 HB3 PHE 20 HB3 PHE 20 9.590 5.694 -11.612
138 HD1 PHE 20 HD1 PHE 20 6.723 7.863 -11.608
139 HD2 PHE 20 HD2 PHE 20 8.425 4.421 -13.410
140 HE1 PHE 20 HE1 PHE 20 5.143 8.078 -13.482
141 HE2 PHE 20 HE2 PHE 20 6.857 4.625 -15.294
142 HZ PHE 20 HZ PHE 20 5.212 6.456 -15.333
143 H ASN 21 H ASN 21 9.248 2.750 -10.018
144 HA ASN 21 HA ASN 21 11.005 3.473 -7.790
145 HB2 ASN 21 HB2 ASN 21 9.602 1.448 -7.536
146 HB3 ASN 21 HB3 ASN 21 10.378 0.746 -8.951
147 HD21 ASN 21 HD21 ASN 21 12.553 0.097 -8.805
148 HD22 ASN 21 HD22 ASN 21 13.301 -0.204 -7.279
149 H HIS 22 H HIS 22 13.012 4.022 -8.235
150 HA HIS 22 HA HIS 22 14.401 2.647 -10.403
151 HB2 HIS 22 HB2 HIS 22 13.667 4.701 -11.458
152 HB3 HIS 22 HB3 HIS 22 14.246 5.660 -10.103
153 HD2 HIS 22 HD2 HIS 22 16.954 6.276 -10.161
154 HE1 HIS 22 HE1 HIS 22 17.798 4.389 -13.857
155 HE2 HIS 22 HE2 HIS 22 18.713 5.815 -11.997
156 H ASP 23 H ASP 23 16.304 1.945 -9.784
157 HA ASP 23 HA ASP 23 18.231 1.608 -8.640
158 HB2 ASP 23 HB2 ASP 23 18.610 4.037 -9.245
159 HB3 ASP 23 HB3 ASP 23 17.975 4.465 -7.661
160 H GLY 24 H GLY 24 15.506 1.341 -7.443
161 HA2 GLY 24 HA2 GLY 24 14.913 0.214 -5.475
162 HA3 GLY 24 HA3 GLY 24 16.412 0.760 -4.737
163 H GLU 25 H GLU 25 15.347 3.480 -6.040
164 HA GLU 25 HA GLU 25 14.052 4.285 -3.551
165 HB2 GLU 25 HB2 GLU 25 16.056 5.541 -4.384
166 HB3 GLU 25 HB3 GLU 25 15.106 5.997 -5.790
167 HG2 GLU 25 HG2 GLU 25 15.254 7.772 -4.086
168 HG3 GLU 25 HG3 GLU 25 13.604 7.282 -4.465
169 H ALA 26 H ALA 26 12.236 5.679 -3.635
170 HA ALA 26 HA ALA 26 10.395 4.975 -5.821
171 HB1 ALA 26 HB1 ALA 26 9.646 4.238 -3.649
172 HB2 ALA 26 HB2 ALA 26 8.615 5.565 -4.197
173 HB3 ALA 26 HB3 ALA 26 9.862 5.859 -2.990
174 H TYR 27 H TYR 27 9.428 6.541 -7.008
175 HA TYR 27 HA TYR 27 9.892 9.335 -6.223
176 HB2 TYR 27 HB2 TYR 27 10.262 8.204 -8.996
177 HB3 TYR 27 HB3 TYR 27 10.385 9.899 -8.552
178 HD1 TYR 27 HD1 TYR 27 12.024 6.635 -8.477
179 HD2 TYR 27 HD2 TYR 27 12.331 10.720 -7.339
180 HE1 TYR 27 HE1 TYR 27 14.427 6.337 -8.070
181 HE2 TYR 27 HE2 TYR 27 14.735 10.431 -6.931
182 HH TYR 27 HH TYR 27 16.307 8.583 -6.389
183 H CYS 28 H CYS 28 8.394 10.824 -7.072
184 HA CYS 28 HA CYS 28 5.724 9.942 -7.240
185 HB2 CYS 28 HB2 CYS 28 5.245 12.270 -7.823
186 HB3 CYS 28 HB3 CYS 28 6.407 12.189 -6.500
187 H SER 29 H SER 29 8.072 10.959 -9.645
188 HA SER 29 HA SER 29 6.462 9.782 -11.769
189 HB2 SER 29 HB2 SER 29 6.904 11.800 -13.164
190 HB3 SER 29 HB3 SER 29 5.864 12.135 -11.777
191 HG SER 29 HG SER 29 7.639 13.022 -10.703
192 H GLN 30 H GLN 30 7.833 9.844 -13.851
193 HA GLN 30 HA GLN 30 10.350 8.679 -13.223
194 HB2 GLN 30 HB2 GLN 30 10.626 8.254 -15.565
195 HB3 GLN 30 HB3 GLN 30 8.974 7.880 -15.117
196 HG2 GLN 30 HG2 GLN 30 9.865 10.396 -16.486
197 HG3 GLN 30 HG3 GLN 30 9.185 8.989 -17.301
198 HE21 GLN 30 HE21 GLN 30 8.564 11.837 -15.549
199 HE22 GLN 30 HE22 GLN 30 6.834 11.738 -15.541
200 H ALA 31 H ALA 31 9.318 11.836 -13.642
201 HA ALA 31 HA ALA 31 11.554 13.026 -14.868
202 HB1 ALA 31 HB1 ALA 31 9.681 14.198 -12.812
203 HB2 ALA 31 HB2 ALA 31 9.407 14.182 -14.554
204 HB3 ALA 31 HB3 ALA 31 10.749 15.108 -13.881
205 H CYS 32 H CYS 32 10.695 12.928 -11.417
206 HA CYS 32 HA CYS 32 13.265 13.708 -10.540
207 HB2 CYS 32 HB2 CYS 32 11.030 12.295 -9.068
208 HB3 CYS 32 HB3 CYS 32 12.451 12.990 -8.307
209 H ALA 33 H ALA 33 11.823 10.679 -11.340
210 HA ALA 33 HA ALA 33 13.495 8.931 -9.893
211 HB1 ALA 33 HB1 ALA 33 11.316 8.306 -10.921
212 HB2 ALA 33 HB2 ALA 33 12.623 7.174 -11.260
213 HB3 ALA 33 HB3 ALA 33 12.111 8.322 -12.497
214 H GLU 34 H GLU 34 13.617 10.044 -13.226
215 HA GLU 34 HA GLU 34 16.117 8.671 -13.735
216 HB2 GLU 34 HB2 GLU 34 14.597 10.597 -15.489
217 HB3 GLU 34 HB3 GLU 34 15.889 9.519 -15.994
218 HG2 GLU 34 HG2 GLU 34 13.233 8.614 -14.912
219 HG3 GLU 34 HG3 GLU 34 13.625 8.761 -16.622
220 H GLN 35 H GLN 35 15.530 11.234 -11.963
221 HA GLN 35 HA GLN 35 16.642 13.060 -11.252
222 HB2 GLN 35 HB2 GLN 35 18.937 11.872 -12.820
223 HB3 GLN 35 HB3 GLN 35 19.083 13.212 -11.690
224 HG2 GLN 35 HG2 GLN 35 18.241 11.722 -9.897
225 HG3 GLN 35 HG3 GLN 35 18.260 10.392 -11.054
226 HE21 GLN 35 HE21 GLN 35 20.172 12.560 -9.149
227 HE22 GLN 35 HE22 GLN 35 21.667 11.711 -9.316
228 H HIS 36 H HIS 36 15.180 13.032 -13.769
229 HA HIS 36 HA HIS 36 14.582 14.418 -15.456
230 HB2 HIS 36 HB2 HIS 36 16.182 16.562 -14.047
231 HB3 HIS 36 HB3 HIS 36 14.782 16.776 -15.089
232 HD1 HIS 36 HD1 HIS 36 12.628 17.112 -13.868
233 HD2 HIS 36 HD2 HIS 36 15.408 15.072 -11.549
234 HE1 HIS 36 HE1 HIS 36 11.579 16.845 -11.606
235 HA PRO 37 HA PRO 37 18.679 14.121 -17.586
236 HB2 PRO 37 HB2 PRO 37 18.051 12.224 -19.378
237 HB3 PRO 37 HB3 PRO 37 18.503 11.816 -17.719
238 HG2 PRO 37 HG2 PRO 37 15.792 11.939 -18.967
239 HG3 PRO 37 HG3 PRO 37 16.438 10.768 -17.805
240 HD2 PRO 37 HD2 PRO 37 14.810 12.901 -17.148
241 HD3 PRO 37 HD3 PRO 37 15.907 12.085 -16.018
242 H ASN 38 H ASN 38 15.401 14.447 -18.729
243 HA ASN 38 HA ASN 38 16.361 15.779 -21.168
244 HB2 ASN 38 HB2 ASN 38 14.772 13.819 -21.378
245 HB3 ASN 38 HB3 ASN 38 13.552 14.812 -20.593
246 HD21 ASN 38 HD21 ASN 38 15.954 15.923 -22.919
247 HD22 ASN 38 HD22 ASN 38 14.820 16.340 -24.151
248 H GLY 39 H GLY 39 15.585 16.579 -18.147
249 HA2 GLY 39 HA2 GLY 39 15.164 18.682 -17.247
250 HA3 GLY 39 HA3 GLY 39 14.809 19.268 -18.867
251 H GLU 40 H GLU 40 13.264 16.407 -17.949
252 HA GLU 40 HA GLU 40 10.683 17.422 -18.301
253 HB2 GLU 40 HB2 GLU 40 11.246 15.098 -18.737
254 HB3 GLU 40 HB3 GLU 40 11.633 14.847 -17.043
255 HG2 GLU 40 HG2 GLU 40 9.286 15.259 -16.463
256 HG3 GLU 40 HG3 GLU 40 8.914 15.463 -18.174
257 HA PRO 41 HA PRO 41 10.202 18.926 -14.061
258 HB2 PRO 41 HB2 PRO 41 7.650 20.020 -14.859
259 HB3 PRO 41 HB3 PRO 41 9.148 20.885 -14.514
260 HG2 PRO 41 HG2 PRO 41 8.015 20.709 -17.013
261 HG3 PRO 41 HG3 PRO 41 9.738 20.993 -16.718
262 HD2 PRO 41 HD2 PRO 41 8.331 18.457 -17.457
263 HD3 PRO 41 HD3 PRO 41 9.905 19.085 -17.995
264 H CYS 42 H CYS 42 9.188 18.010 -12.327
265 HA CYS 42 HA CYS 42 7.409 15.803 -12.811
266 HB2 CYS 42 HB2 CYS 42 7.562 15.442 -10.367
267 HB3 CYS 42 HB3 CYS 42 9.150 15.594 -11.108
268 HA PRO 43 HA PRO 43 3.582 17.918 -12.072
269 HB2 PRO 43 HB2 PRO 43 2.015 15.930 -11.184
270 HB3 PRO 43 HB3 PRO 43 2.639 15.947 -12.838
271 HG2 PRO 43 HG2 PRO 43 3.652 14.443 -10.451
272 HG3 PRO 43 HG3 PRO 43 3.403 13.865 -12.109
273 HD2 PRO 43 HD2 PRO 43 5.837 14.612 -11.148
274 HD3 PRO 43 HD3 PRO 43 5.380 14.766 -12.854
275 H ALA 44 H ALA 44 5.547 17.961 -9.806
276 HA ALA 44 HA ALA 44 4.229 17.527 -7.350
277 HB1 ALA 44 HB1 ALA 44 6.012 18.879 -6.379
278 HB2 ALA 44 HB2 ALA 44 6.487 19.421 -7.990
279 HB3 ALA 44 HB3 ALA 44 6.659 17.722 -7.544
280 HA PRO 45 HA PRO 45 1.356 20.825 -6.652
281 HB2 PRO 45 HB2 PRO 45 3.040 21.525 -4.287
282 HB3 PRO 45 HB3 PRO 45 1.294 21.277 -4.388
283 HG2 PRO 45 HG2 PRO 45 2.897 19.405 -3.369
284 HG3 PRO 45 HG3 PRO 45 1.481 18.974 -4.345
285 HD2 PRO 45 HD2 PRO 45 4.364 18.866 -5.027
286 HD3 PRO 45 HD3 PRO 45 3.020 17.880 -5.630
287 H ASP 46 H ASP 46 4.534 21.998 -5.507
288 HA ASP 46 HA ASP 46 4.223 24.287 -7.345
289 HB2 ASP 46 HB2 ASP 46 4.979 24.191 -4.486
290 HB3 ASP 46 HB3 ASP 46 5.918 25.283 -5.498
291 H CYS 47 H CYS 47 6.038 21.607 -6.484
292 HA CYS 47 HA CYS 47 7.992 20.722 -7.200
293 HB2 CYS 47 HB2 CYS 47 7.035 21.416 -9.421
294 HB3 CYS 47 HB3 CYS 47 7.962 22.902 -9.302
295 H HIS 48 H HIS 48 10.380 21.377 -7.757
296 HA HIS 48 HA HIS 48 11.289 23.896 -6.763
297 HB2 HIS 48 HB2 HIS 48 10.740 22.707 -4.625
298 HB3 HIS 48 HB3 HIS 48 11.925 21.483 -5.054
299 HD1 HIS 48 HD1 HIS 48 11.602 24.561 -3.204
300 HD2 HIS 48 HD2 HIS 48 14.654 22.689 -5.314
301 HE1 HIS 48 HE1 HIS 48 13.733 25.602 -2.389
302 HE2 HIS 48 HE2 HIS 48 15.546 24.241 -3.464
303 H CYS 49 H CYS 49 12.007 20.563 -7.653
304 HA CYS 49 HA CYS 49 14.786 20.979 -8.002
305 HB2 CYS 49 HB2 CYS 49 14.633 18.782 -9.271
306 HB3 CYS 49 HB3 CYS 49 14.117 18.761 -7.588
307 H GLU 50 H GLU 50 14.792 22.908 -9.250
308 HA GLU 50 HA GLU 50 14.008 22.717 -12.042
309 HB2 GLU 50 HB2 GLU 50 13.868 24.817 -10.533
310 HB3 GLU 50 HB3 GLU 50 15.603 24.935 -10.752
311 HG2 GLU 50 HG2 GLU 50 13.686 24.874 -13.061
312 HG3 GLU 50 HG3 GLU 50 14.140 26.366 -12.244
313 H ARG 51 H ARG 51 16.750 22.425 -9.986
314 HA ARG 51 HA ARG 51 18.614 22.220 -12.174
315 HB2 ARG 51 HB2 ARG 51 20.305 22.046 -10.411
316 HB3 ARG 51 HB3 ARG 51 19.305 23.467 -10.148
317 HG2 ARG 51 HG2 ARG 51 18.023 22.239 -8.459
318 HG3 ARG 51 HG3 ARG 51 19.046 20.831 -8.717
319 HD2 ARG 51 HD2 ARG 51 20.971 22.007 -7.923
320 HD3 ARG 51 HD3 ARG 51 20.075 23.523 -7.849
321 HE ARG 51 HE ARG 51 18.707 21.767 -6.224
322 HH11 ARG 51 HH11 ARG 51 21.956 23.081 -6.345
323 HH12 ARG 51 HH12 ARG 51 22.178 23.049 -4.632
324 HH21 ARG 51 HH21 ARG 51 18.981 21.717 -3.962
325 HH22 ARG 51 HH22 ARG 51 20.474 22.264 -3.258
326 H SER 52 H SER 52 19.788 20.283 -12.410
327 HA SER 52 HA SER 52 19.918 18.093 -12.682
328 HB2 SER 52 HB2 SER 52 20.524 18.156 -10.289
329 HB3 SER 52 HB3 SER 52 18.824 17.972 -9.866
330 HG SER 52 HG SER 52 20.437 16.097 -11.270
Start of MODEL 11
1 HA ASN 1 HA ASN 1 4.308 5.652 6.170
2 HB2 ASN 1 HB2 ASN 1 1.323 6.130 6.326
3 HB3 ASN 1 HB3 ASN 1 2.115 4.648 5.809
4 HD21 ASN 1 HD21 ASN 1 1.227 6.642 8.491
5 HD22 ASN 1 HD22 ASN 1 1.593 5.489 9.728
6 H GLU 2 H GLU 2 2.977 8.660 5.383
7 HA GLU 2 HA GLU 2 2.096 8.268 2.759
8 HB2 GLU 2 HB2 GLU 2 3.281 10.701 4.093
9 HB3 GLU 2 HB3 GLU 2 2.618 10.725 2.468
10 HG2 GLU 2 HG2 GLU 2 0.970 11.579 3.973
11 HG3 GLU 2 HG3 GLU 2 0.432 10.004 3.402
12 H LEU 3 H LEU 3 3.123 7.764 0.977
13 HA LEU 3 HA LEU 3 5.964 7.440 0.957
14 HB2 LEU 3 HB2 LEU 3 4.315 5.901 -0.141
15 HB3 LEU 3 HB3 LEU 3 4.015 7.157 -1.323
16 HG LEU 3 HG LEU 3 6.292 6.990 -2.145
17 HD11 LEU 3 HD11 LEU 3 7.793 5.226 -1.288
18 HD12 LEU 3 HD12 LEU 3 6.651 4.926 0.024
19 HD13 LEU 3 HD13 LEU 3 7.465 6.486 -0.101
20 HD21 LEU 3 HD21 LEU 3 4.997 4.281 -1.850
21 HD22 LEU 3 HD22 LEU 3 6.198 4.730 -3.061
22 HD23 LEU 3 HD23 LEU 3 4.604 5.486 -3.076
23 H ARG 4 H ARG 4 7.334 9.015 0.560
24 HA ARG 4 HA ARG 4 6.423 11.310 -1.008
25 HB2 ARG 4 HB2 ARG 4 8.415 12.483 0.041
26 HB3 ARG 4 HB3 ARG 4 7.116 12.049 1.138
27 HG2 ARG 4 HG2 ARG 4 9.093 11.532 2.283
28 HG3 ARG 4 HG3 ARG 4 8.485 9.981 1.705
29 HD2 ARG 4 HD2 ARG 4 10.016 10.381 -0.319
30 HD3 ARG 4 HD3 ARG 4 10.789 11.604 0.684
31 HE ARG 4 HE ARG 4 11.133 9.735 2.322
32 HH11 ARG 4 HH11 ARG 4 10.834 9.122 -1.120
33 HH12 ARG 4 HH12 ARG 4 11.815 7.691 -1.087
34 HH21 ARG 4 HH21 ARG 4 12.432 7.834 2.368
35 HH22 ARG 4 HH22 ARG 4 12.716 6.961 0.900
36 H CYS 5 H CYS 5 8.040 12.342 -2.411
37 HA CYS 5 HA CYS 5 9.050 10.422 -4.222
38 HB2 CYS 5 HB2 CYS 5 8.182 12.708 -4.786
39 HB3 CYS 5 HB3 CYS 5 9.703 13.365 -4.191
40 H GLY 6 H GLY 6 11.244 10.223 -5.002
41 HA2 GLY 6 HA2 GLY 6 13.101 10.065 -2.763
42 HA3 GLY 6 HA3 GLY 6 13.273 9.360 -4.364
43 H CYS 7 H CYS 7 12.388 12.221 -5.152
44 HA CYS 7 HA CYS 7 14.945 13.094 -5.924
45 HB2 CYS 7 HB2 CYS 7 12.554 13.710 -6.831
46 HB3 CYS 7 HB3 CYS 7 12.665 15.011 -5.655
47 HA PRO 8 HA PRO 8 15.981 14.585 -1.824
48 HB2 PRO 8 HB2 PRO 8 18.558 15.225 -2.379
49 HB3 PRO 8 HB3 PRO 8 18.012 13.570 -2.082
50 HG2 PRO 8 HG2 PRO 8 18.535 14.954 -4.682
51 HG3 PRO 8 HG3 PRO 8 18.955 13.304 -4.189
52 HD2 PRO 8 HD2 PRO 8 16.822 13.870 -5.760
53 HD3 PRO 8 HD3 PRO 8 16.834 12.503 -4.625
54 H ASP 9 H ASP 9 15.684 16.361 -4.651
55 HA ASP 9 HA ASP 9 16.349 18.858 -3.250
56 HB2 ASP 9 HB2 ASP 9 17.540 18.411 -5.408
57 HB3 ASP 9 HB3 ASP 9 15.984 18.462 -6.224
58 H CYS 10 H CYS 10 13.746 16.939 -4.180
59 HA CYS 10 HA CYS 10 11.974 19.278 -4.135
60 HB2 CYS 10 HB2 CYS 10 12.336 18.395 -6.458
61 HB3 CYS 10 HB3 CYS 10 11.555 16.905 -5.943
62 H HIS 11 H HIS 11 9.766 18.810 -3.563
63 HA HIS 11 HA HIS 11 9.494 16.417 -1.884
64 HB2 HIS 11 HB2 HIS 11 9.723 18.361 -0.446
65 HB3 HIS 11 HB3 HIS 11 8.479 19.219 -1.344
66 HD2 HIS 11 HD2 HIS 11 5.923 18.811 -0.448
67 HE1 HIS 11 HE1 HIS 11 6.802 15.740 2.334
68 HE2 HIS 11 HE2 HIS 11 5.001 17.128 1.280
69 H CYS 12 H CYS 12 8.336 15.175 -3.314
70 HA CYS 12 HA CYS 12 5.766 16.288 -4.231
71 HB2 CYS 12 HB2 CYS 12 6.838 13.835 -5.495
72 HB3 CYS 12 HB3 CYS 12 5.949 15.169 -6.204
73 H LYS 13 H LYS 13 3.926 15.088 -3.909
74 HA LYS 13 HA LYS 13 4.047 12.956 -1.990
75 HB2 LYS 13 HB2 LYS 13 1.600 12.883 -2.249
76 HB3 LYS 13 HB3 LYS 13 2.178 14.501 -1.892
77 HG2 LYS 13 HG2 LYS 13 1.879 15.182 -4.169
78 HG3 LYS 13 HG3 LYS 13 1.500 13.529 -4.659
79 HD2 LYS 13 HD2 LYS 13 -0.101 15.119 -2.676
80 HD3 LYS 13 HD3 LYS 13 -0.494 15.005 -4.394
81 HE2 LYS 13 HE2 LYS 13 -0.677 12.556 -4.154
82 HE3 LYS 13 HE3 LYS 13 -0.334 12.716 -2.433
83 HZ1 LYS 13 HZ1 LYS 13 -2.697 12.508 -2.878
84 HZ2 LYS 13 HZ2 LYS 13 -2.666 13.896 -3.830
85 HZ3 LYS 13 HZ3 LYS 13 -2.344 14.001 -2.174
86 H VAL 14 H VAL 14 3.829 10.796 -2.416
87 HA VAL 14 HA VAL 14 3.815 10.101 -5.263
88 HB VAL 14 HB VAL 14 5.243 8.746 -2.976
89 HG11 VAL 14 HG11 VAL 14 6.098 7.171 -4.605
90 HG12 VAL 14 HG12 VAL 14 5.122 7.923 -5.869
91 HG13 VAL 14 HG13 VAL 14 4.338 7.088 -4.525
92 HG21 VAL 14 HG21 VAL 14 7.247 9.302 -4.256
93 HG22 VAL 14 HG22 VAL 14 6.339 10.743 -3.796
94 HG23 VAL 14 HG23 VAL 14 6.249 10.133 -5.449
95 H ASP 15 H ASP 15 2.421 8.701 -5.988
96 HA ASP 15 HA ASP 15 0.464 7.542 -4.172
97 HB2 ASP 15 HB2 ASP 15 -0.271 8.785 -6.192
98 HB3 ASP 15 HB3 ASP 15 0.549 7.599 -7.190
99 HA PRO 16 HA PRO 16 2.757 3.725 -4.234
100 HB2 PRO 16 HB2 PRO 16 0.171 2.508 -3.458
101 HB3 PRO 16 HB3 PRO 16 1.730 2.458 -2.631
102 HG2 PRO 16 HG2 PRO 16 -0.268 3.961 -1.694
103 HG3 PRO 16 HG3 PRO 16 1.414 4.512 -1.615
104 HD2 PRO 16 HD2 PRO 16 -0.758 5.316 -3.509
105 HD3 PRO 16 HD3 PRO 16 0.491 6.308 -2.726
106 H GLU 17 H GLU 17 -0.069 4.329 -6.101
107 HA GLU 17 HA GLU 17 0.191 1.814 -7.562
108 HB2 GLU 17 HB2 GLU 17 -2.053 2.540 -6.931
109 HB3 GLU 17 HB3 GLU 17 -1.810 4.066 -7.761
110 HG2 GLU 17 HG2 GLU 17 -3.144 2.786 -9.179
111 HG3 GLU 17 HG3 GLU 17 -1.526 2.725 -9.871
112 H ARG 18 H ARG 18 0.864 5.226 -7.838
113 HA ARG 18 HA ARG 18 1.578 4.865 -10.684
114 HB2 ARG 18 HB2 ARG 18 1.139 7.508 -9.315
115 HB3 ARG 18 HB3 ARG 18 1.172 7.177 -11.039
116 HG2 ARG 18 HG2 ARG 18 -0.932 6.016 -10.905
117 HG3 ARG 18 HG3 ARG 18 -0.946 6.182 -9.146
118 HD2 ARG 18 HD2 ARG 18 -0.823 8.681 -9.541
119 HD3 ARG 18 HD3 ARG 18 -1.198 8.323 -11.228
120 HE ARG 18 HE ARG 18 -3.157 7.049 -9.888
121 HH11 ARG 18 HH11 ARG 18 -1.963 10.348 -9.777
122 HH12 ARG 18 HH12 ARG 18 -3.484 11.024 -9.304
123 HH21 ARG 18 HH21 ARG 18 -5.174 7.943 -9.255
124 HH22 ARG 18 HH22 ARG 18 -5.315 9.643 -8.986
125 H VAL 19 H VAL 19 3.103 4.431 -8.139
126 HA VAL 19 HA VAL 19 5.148 6.438 -8.119
127 HB VAL 19 HB VAL 19 4.727 5.476 -6.012
128 HG11 VAL 19 HG11 VAL 19 5.158 2.782 -7.282
129 HG12 VAL 19 HG12 VAL 19 3.642 3.443 -6.655
130 HG13 VAL 19 HG13 VAL 19 4.965 3.065 -5.551
131 HG21 VAL 19 HG21 VAL 19 7.291 4.300 -7.065
132 HG22 VAL 19 HG22 VAL 19 6.874 4.463 -5.360
133 HG23 VAL 19 HG23 VAL 19 7.071 5.903 -6.361
134 H PHE 20 H PHE 20 7.007 6.508 -9.113
135 HA PHE 20 HA PHE 20 7.808 4.277 -10.820
136 HB2 PHE 20 HB2 PHE 20 8.509 7.190 -10.704
137 HB3 PHE 20 HB3 PHE 20 9.607 6.069 -11.491
138 HD1 PHE 20 HD1 PHE 20 6.390 7.732 -11.649
139 HD2 PHE 20 HD2 PHE 20 8.965 4.951 -13.553
140 HE1 PHE 20 HE1 PHE 20 5.038 7.900 -13.702
141 HE2 PHE 20 HE2 PHE 20 7.630 5.109 -15.612
142 HZ PHE 20 HZ PHE 20 5.663 6.584 -15.688
143 H ASN 21 H ASN 21 9.083 2.833 -9.874
144 HA ASN 21 HA ASN 21 10.757 3.628 -7.647
145 HB2 ASN 21 HB2 ASN 21 9.562 1.526 -7.406
146 HB3 ASN 21 HB3 ASN 21 10.272 0.911 -8.893
147 HD21 ASN 21 HD21 ASN 21 12.379 0.186 -8.892
148 HD22 ASN 21 HD22 ASN 21 13.270 -0.098 -7.439
149 H HIS 22 H HIS 22 12.862 3.924 -7.708
150 HA HIS 22 HA HIS 22 14.469 2.885 -9.873
151 HB2 HIS 22 HB2 HIS 22 13.628 4.984 -10.841
152 HB3 HIS 22 HB3 HIS 22 14.182 5.876 -9.436
153 HD2 HIS 22 HD2 HIS 22 17.012 6.242 -9.316
154 HE1 HIS 22 HE1 HIS 22 17.652 5.082 -13.342
155 HE2 HIS 22 HE2 HIS 22 18.601 6.295 -11.358
156 H ASP 23 H ASP 23 16.336 2.250 -9.055
157 HA ASP 23 HA ASP 23 18.139 1.987 -7.706
158 HB2 ASP 23 HB2 ASP 23 18.380 4.478 -8.205
159 HB3 ASP 23 HB3 ASP 23 17.629 4.773 -6.642
160 H GLY 24 H GLY 24 15.342 1.472 -6.787
161 HA2 GLY 24 HA2 GLY 24 14.519 0.392 -4.898
162 HA3 GLY 24 HA3 GLY 24 15.994 0.826 -4.044
163 H GLU 25 H GLU 25 14.691 3.483 -5.572
164 HA GLU 25 HA GLU 25 13.441 4.396 -3.077
165 HB2 GLU 25 HB2 GLU 25 15.494 5.614 -3.825
166 HB3 GLU 25 HB3 GLU 25 14.648 6.015 -5.312
167 HG2 GLU 25 HG2 GLU 25 14.682 7.876 -3.751
168 HG3 GLU 25 HG3 GLU 25 13.044 7.330 -4.110
169 H ALA 26 H ALA 26 11.645 5.876 -3.354
170 HA ALA 26 HA ALA 26 9.947 5.064 -5.618
171 HB1 ALA 26 HB1 ALA 26 9.096 4.423 -3.424
172 HB2 ALA 26 HB2 ALA 26 8.047 5.624 -4.176
173 HB3 ALA 26 HB3 ALA 26 9.162 6.104 -2.897
174 H TYR 27 H TYR 27 9.232 6.562 -7.019
175 HA TYR 27 HA TYR 27 9.653 9.393 -6.328
176 HB2 TYR 27 HB2 TYR 27 10.111 8.038 -8.984
177 HB3 TYR 27 HB3 TYR 27 10.144 9.777 -8.736
178 HD1 TYR 27 HD1 TYR 27 11.912 6.619 -8.162
179 HD2 TYR 27 HD2 TYR 27 12.007 10.830 -7.618
180 HE1 TYR 27 HE1 TYR 27 14.310 6.494 -7.633
181 HE2 TYR 27 HE2 TYR 27 14.406 10.716 -7.103
182 HH TYR 27 HH TYR 27 16.027 9.019 -6.241
183 H CYS 28 H CYS 28 8.263 10.897 -7.434
184 HA CYS 28 HA CYS 28 5.551 10.016 -7.493
185 HB2 CYS 28 HB2 CYS 28 5.053 12.346 -8.060
186 HB3 CYS 28 HB3 CYS 28 6.193 12.255 -6.721
187 H SER 29 H SER 29 7.897 11.034 -9.914
188 HA SER 29 HA SER 29 6.339 9.711 -11.965
189 HB2 SER 29 HB2 SER 29 5.534 12.057 -11.942
190 HB3 SER 29 HB3 SER 29 7.185 12.612 -12.203
191 HG SER 29 HG SER 29 5.369 11.675 -14.003
192 H GLN 30 H GLN 30 7.676 10.316 -14.138
193 HA GLN 30 HA GLN 30 10.030 8.780 -13.902
194 HB2 GLN 30 HB2 GLN 30 10.316 9.435 -16.341
195 HB3 GLN 30 HB3 GLN 30 8.831 8.590 -15.911
196 HG2 GLN 30 HG2 GLN 30 7.545 10.550 -16.059
197 HG3 GLN 30 HG3 GLN 30 8.975 11.577 -16.062
198 HE21 GLN 30 HE21 GLN 30 10.130 11.827 -17.913
199 HE22 GLN 30 HE22 GLN 30 9.532 11.358 -19.469
200 H ALA 31 H ALA 31 9.495 12.267 -14.428
201 HA ALA 31 HA ALA 31 12.004 13.127 -15.083
202 HB1 ALA 31 HB1 ALA 31 10.113 14.620 -15.036
203 HB2 ALA 31 HB2 ALA 31 11.420 15.286 -14.060
204 HB3 ALA 31 HB3 ALA 31 10.037 14.521 -13.277
205 H CYS 32 H CYS 32 10.816 13.057 -11.704
206 HA CYS 32 HA CYS 32 13.286 13.689 -10.544
207 HB2 CYS 32 HB2 CYS 32 10.923 12.206 -9.391
208 HB3 CYS 32 HB3 CYS 32 12.283 12.794 -8.448
209 H ALA 33 H ALA 33 11.855 10.630 -11.404
210 HA ALA 33 HA ALA 33 13.598 8.950 -9.956
211 HB1 ALA 33 HB1 ALA 33 12.737 7.140 -11.358
212 HB2 ALA 33 HB2 ALA 33 12.027 8.319 -12.460
213 HB3 ALA 33 HB3 ALA 33 11.431 8.188 -10.806
214 H GLU 34 H GLU 34 13.688 10.286 -13.191
215 HA GLU 34 HA GLU 34 16.103 8.833 -13.913
216 HB2 GLU 34 HB2 GLU 34 14.531 10.927 -15.410
217 HB3 GLU 34 HB3 GLU 34 15.919 10.068 -16.052
218 HG2 GLU 34 HG2 GLU 34 14.658 7.951 -15.785
219 HG3 GLU 34 HG3 GLU 34 13.255 8.904 -15.295
220 H GLN 35 H GLN 35 15.615 11.339 -11.968
221 HA GLN 35 HA GLN 35 16.870 13.017 -11.140
222 HB2 GLN 35 HB2 GLN 35 19.008 11.699 -12.812
223 HB3 GLN 35 HB3 GLN 35 19.328 13.099 -11.797
224 HG2 GLN 35 HG2 GLN 35 18.237 10.472 -10.810
225 HG3 GLN 35 HG3 GLN 35 19.932 10.955 -10.738
226 HE21 GLN 35 HE21 GLN 35 16.741 11.467 -9.445
227 HE22 GLN 35 HE22 GLN 35 17.232 12.404 -8.080
228 H HIS 36 H HIS 36 15.404 13.182 -13.729
229 HA HIS 36 HA HIS 36 14.834 14.747 -15.266
230 HB2 HIS 36 HB2 HIS 36 16.492 16.670 -13.616
231 HB3 HIS 36 HB3 HIS 36 15.180 17.078 -14.717
232 HD1 HIS 36 HD1 HIS 36 12.961 17.406 -13.614
233 HD2 HIS 36 HD2 HIS 36 15.475 14.973 -11.372
234 HE1 HIS 36 HE1 HIS 36 11.731 16.920 -11.492
235 HA PRO 37 HA PRO 37 18.901 14.455 -17.425
236 HB2 PRO 37 HB2 PRO 37 18.160 12.821 -19.416
237 HB3 PRO 37 HB3 PRO 37 18.567 12.199 -17.812
238 HG2 PRO 37 HG2 PRO 37 15.877 12.680 -19.030
239 HG3 PRO 37 HG3 PRO 37 16.431 11.313 -18.047
240 HD2 PRO 37 HD2 PRO 37 14.963 13.419 -17.067
241 HD3 PRO 37 HD3 PRO 37 16.048 12.422 -16.080
242 H ASN 38 H ASN 38 15.696 15.315 -18.376
243 HA ASN 38 HA ASN 38 16.771 16.769 -20.706
244 HB2 ASN 38 HB2 ASN 38 13.978 15.700 -20.278
245 HB3 ASN 38 HB3 ASN 38 14.488 16.663 -21.658
246 HD21 ASN 38 HD21 ASN 38 17.110 15.360 -21.797
247 HD22 ASN 38 HD22 ASN 38 16.817 13.794 -22.460
248 H GLY 39 H GLY 39 15.893 17.286 -17.638
249 HA2 GLY 39 HA2 GLY 39 15.566 19.311 -16.550
250 HA3 GLY 39 HA3 GLY 39 15.345 20.080 -18.116
251 H GLU 40 H GLU 40 13.544 17.252 -17.432
252 HA GLU 40 HA GLU 40 11.075 18.588 -17.796
253 HB2 GLU 40 HB2 GLU 40 11.609 15.778 -16.829
254 HB3 GLU 40 HB3 GLU 40 10.066 16.393 -17.399
255 HG2 GLU 40 HG2 GLU 40 12.573 16.111 -19.023
256 HG3 GLU 40 HG3 GLU 40 11.167 15.050 -19.082
257 HA PRO 41 HA PRO 41 10.355 19.368 -13.430
258 HB2 PRO 41 HB2 PRO 41 7.996 20.613 -13.670
259 HB3 PRO 41 HB3 PRO 41 9.494 21.398 -14.187
260 HG2 PRO 41 HG2 PRO 41 7.407 20.029 -15.836
261 HG3 PRO 41 HG3 PRO 41 8.284 21.533 -16.166
262 HD2 PRO 41 HD2 PRO 41 8.933 19.081 -17.248
263 HD3 PRO 41 HD3 PRO 41 10.078 20.423 -17.054
264 H CYS 42 H CYS 42 9.049 18.418 -11.811
265 HA CYS 42 HA CYS 42 7.528 16.115 -12.729
266 HB2 CYS 42 HB2 CYS 42 7.651 15.382 -10.392
267 HB3 CYS 42 HB3 CYS 42 9.246 15.787 -11.007
268 HA PRO 43 HA PRO 43 3.560 17.904 -11.806
269 HB2 PRO 43 HB2 PRO 43 2.141 15.742 -11.032
270 HB3 PRO 43 HB3 PRO 43 2.678 15.965 -12.703
271 HG2 PRO 43 HG2 PRO 43 3.923 14.320 -10.522
272 HG3 PRO 43 HG3 PRO 43 3.595 13.869 -12.206
273 HD2 PRO 43 HD2 PRO 43 6.046 14.643 -11.402
274 HD3 PRO 43 HD3 PRO 43 5.414 15.040 -13.010
275 H ALA 44 H ALA 44 5.515 17.998 -9.573
276 HA ALA 44 HA ALA 44 3.919 17.422 -7.214
277 HB1 ALA 44 HB1 ALA 44 6.659 18.657 -7.437
278 HB2 ALA 44 HB2 ALA 44 6.326 16.944 -7.202
279 HB3 ALA 44 HB3 ALA 44 5.875 18.110 -5.955
280 HA PRO 45 HA PRO 45 2.350 21.588 -6.972
281 HB2 PRO 45 HB2 PRO 45 1.436 21.529 -4.441
282 HB3 PRO 45 HB3 PRO 45 0.644 20.613 -5.731
283 HG2 PRO 45 HG2 PRO 45 2.639 19.669 -3.700
284 HG3 PRO 45 HG3 PRO 45 1.096 18.920 -4.168
285 HD2 PRO 45 HD2 PRO 45 3.461 18.074 -5.145
286 HD3 PRO 45 HD3 PRO 45 1.982 18.059 -6.128
287 H ASP 46 H ASP 46 4.727 20.267 -4.816
288 HA ASP 46 HA ASP 46 5.572 22.975 -4.012
289 HB2 ASP 46 HB2 ASP 46 4.803 21.423 -2.168
290 HB3 ASP 46 HB3 ASP 46 6.148 20.366 -2.575
291 H CYS 47 H CYS 47 6.174 21.581 -6.458
292 HA CYS 47 HA CYS 47 8.611 20.264 -6.539
293 HB2 CYS 47 HB2 CYS 47 7.127 20.354 -8.464
294 HB3 CYS 47 HB3 CYS 47 7.413 22.083 -8.628
295 H HIS 48 H HIS 48 10.682 20.815 -6.659
296 HA HIS 48 HA HIS 48 11.390 23.674 -6.517
297 HB2 HIS 48 HB2 HIS 48 11.566 22.622 -4.282
298 HB3 HIS 48 HB3 HIS 48 12.657 21.416 -4.945
299 HD1 HIS 48 HD1 HIS 48 15.096 22.138 -5.415
300 HD2 HIS 48 HD2 HIS 48 12.700 25.150 -3.832
301 HE1 HIS 48 HE1 HIS 48 16.668 23.965 -4.719
302 HE2 HIS 48 HE2 HIS 48 15.189 25.835 -3.926
303 H CYS 49 H CYS 49 11.804 20.678 -8.008
304 HA CYS 49 HA CYS 49 14.497 21.271 -8.948
305 HB2 CYS 49 HB2 CYS 49 14.332 18.929 -9.848
306 HB3 CYS 49 HB3 CYS 49 14.244 19.071 -8.092
307 H GLU 50 H GLU 50 14.967 20.893 -11.219
308 HA GLU 50 HA GLU 50 13.036 20.660 -13.241
309 HB2 GLU 50 HB2 GLU 50 12.380 22.926 -12.474
310 HB3 GLU 50 HB3 GLU 50 14.020 23.486 -12.769
311 HG2 GLU 50 HG2 GLU 50 13.731 22.896 -15.158
312 HG3 GLU 50 HG3 GLU 50 12.047 22.509 -14.813
313 H ARG 51 H ARG 51 15.906 22.633 -12.656
314 HA ARG 51 HA ARG 51 17.136 21.703 -15.104
315 HB2 ARG 51 HB2 ARG 51 18.965 23.283 -14.423
316 HB3 ARG 51 HB3 ARG 51 17.388 24.029 -14.644
317 HG2 ARG 51 HG2 ARG 51 17.049 24.071 -12.246
318 HG3 ARG 51 HG3 ARG 51 18.591 23.254 -11.997
319 HD2 ARG 51 HD2 ARG 51 19.759 25.151 -12.979
320 HD3 ARG 51 HD3 ARG 51 18.220 25.964 -13.266
321 HE ARG 51 HE ARG 51 17.977 25.751 -10.728
322 HH11 ARG 51 HH11 ARG 51 21.032 26.292 -12.389
323 HH12 ARG 51 HH12 ARG 51 21.761 27.083 -11.035
324 HH21 ARG 51 HH21 ARG 51 18.953 26.779 -8.945
325 HH22 ARG 51 HH22 ARG 51 20.578 27.364 -9.070
326 H SER 52 H SER 52 18.754 20.281 -15.261
327 HA SER 52 HA SER 52 20.375 19.537 -13.004
328 HB2 SER 52 HB2 SER 52 18.553 17.463 -14.258
329 HB3 SER 52 HB3 SER 52 19.798 17.144 -13.049
330 HG SER 52 HG SER 52 18.188 19.117 -12.208
Start of MODEL 12
1 HA ASN 1 HA ASN 1 1.419 9.678 3.451
2 HB2 ASN 1 HB2 ASN 1 0.894 9.239 5.804
3 HB3 ASN 1 HB3 ASN 1 -0.230 8.383 4.760
4 HD21 ASN 1 HD21 ASN 1 0.473 7.878 7.529
5 HD22 ASN 1 HD22 ASN 1 1.085 6.258 7.592
6 H GLU 2 H GLU 2 3.466 6.923 3.758
7 HA GLU 2 HA GLU 2 5.570 8.600 4.967
8 HB2 GLU 2 HB2 GLU 2 5.328 5.589 4.897
9 HB3 GLU 2 HB3 GLU 2 6.656 6.482 5.615
10 HG2 GLU 2 HG2 GLU 2 5.145 7.443 7.252
11 HG3 GLU 2 HG3 GLU 2 3.788 6.595 6.509
12 H LEU 3 H LEU 3 4.496 7.690 2.100
13 HA LEU 3 HA LEU 3 7.083 6.975 0.948
14 HB2 LEU 3 HB2 LEU 3 5.016 5.624 0.464
15 HB3 LEU 3 HB3 LEU 3 4.376 7.020 -0.376
16 HG LEU 3 HG LEU 3 6.189 6.887 -2.014
17 HD11 LEU 3 HD11 LEU 3 7.676 4.925 -2.017
18 HD12 LEU 3 HD12 LEU 3 7.051 4.474 -0.430
19 HD13 LEU 3 HD13 LEU 3 7.946 5.979 -0.632
20 HD21 LEU 3 HD21 LEU 3 4.112 5.677 -2.425
21 HD22 LEU 3 HD22 LEU 3 4.760 4.267 -1.585
22 HD23 LEU 3 HD23 LEU 3 5.496 4.810 -3.094
23 H ARG 4 H ARG 4 8.281 8.621 0.274
24 HA ARG 4 HA ARG 4 6.908 10.977 -0.848
25 HB2 ARG 4 HB2 ARG 4 9.584 11.050 0.553
26 HB3 ARG 4 HB3 ARG 4 8.641 12.418 -0.005
27 HG2 ARG 4 HG2 ARG 4 8.185 12.497 2.225
28 HG3 ARG 4 HG3 ARG 4 6.869 11.446 1.693
29 HD2 ARG 4 HD2 ARG 4 7.978 10.562 3.690
30 HD3 ARG 4 HD3 ARG 4 8.169 9.482 2.308
31 HE ARG 4 HE ARG 4 10.350 11.299 2.530
32 HH11 ARG 4 HH11 ARG 4 9.065 8.327 3.876
33 HH12 ARG 4 HH12 ARG 4 10.612 7.735 4.372
34 HH21 ARG 4 HH21 ARG 4 12.412 10.497 3.165
35 HH22 ARG 4 HH22 ARG 4 12.519 8.961 3.952
36 H CYS 5 H CYS 5 8.358 12.257 -2.307
37 HA CYS 5 HA CYS 5 9.341 10.532 -4.346
38 HB2 CYS 5 HB2 CYS 5 8.162 12.776 -4.645
39 HB3 CYS 5 HB3 CYS 5 9.695 13.523 -4.213
40 H GLY 6 H GLY 6 11.431 10.215 -5.033
41 HA2 GLY 6 HA2 GLY 6 13.475 10.441 -2.999
42 HA3 GLY 6 HA3 GLY 6 13.601 9.686 -4.577
43 H CYS 7 H CYS 7 12.431 12.500 -5.316
44 HA CYS 7 HA CYS 7 14.881 13.484 -6.296
45 HB2 CYS 7 HB2 CYS 7 12.374 13.942 -7.027
46 HB3 CYS 7 HB3 CYS 7 12.568 15.326 -5.962
47 HA PRO 8 HA PRO 8 16.152 15.278 -2.389
48 HB2 PRO 8 HB2 PRO 8 18.526 16.263 -3.310
49 HB3 PRO 8 HB3 PRO 8 18.283 14.576 -2.851
50 HG2 PRO 8 HG2 PRO 8 18.282 15.817 -5.566
51 HG3 PRO 8 HG3 PRO 8 18.984 14.278 -5.038
52 HD2 PRO 8 HD2 PRO 8 16.629 14.429 -6.360
53 HD3 PRO 8 HD3 PRO 8 16.949 13.172 -5.143
54 H ASP 9 H ASP 9 15.510 16.859 -5.348
55 HA ASP 9 HA ASP 9 15.797 19.494 -4.083
56 HB2 ASP 9 HB2 ASP 9 15.784 18.706 -6.995
57 HB3 ASP 9 HB3 ASP 9 15.676 20.375 -6.449
58 H CYS 10 H CYS 10 13.450 17.298 -4.428
59 HA CYS 10 HA CYS 10 11.397 19.342 -4.480
60 HB2 CYS 10 HB2 CYS 10 11.930 18.506 -6.893
61 HB3 CYS 10 HB3 CYS 10 11.064 17.057 -6.400
62 H HIS 11 H HIS 11 9.462 18.670 -3.535
63 HA HIS 11 HA HIS 11 9.504 15.957 -2.421
64 HB2 HIS 11 HB2 HIS 11 8.403 16.755 -0.377
65 HB3 HIS 11 HB3 HIS 11 9.934 17.578 -0.616
66 HD2 HIS 11 HD2 HIS 11 9.313 20.243 -2.045
67 HE1 HIS 11 HE1 HIS 11 5.862 20.645 0.380
68 HE2 HIS 11 HE2 HIS 11 7.313 21.729 -1.362
69 H CYS 12 H CYS 12 8.216 14.965 -3.792
70 HA CYS 12 HA CYS 12 5.615 16.168 -4.413
71 HB2 CYS 12 HB2 CYS 12 6.799 13.829 -5.844
72 HB3 CYS 12 HB3 CYS 12 5.659 15.031 -6.436
73 H LYS 13 H LYS 13 3.708 14.864 -4.319
74 HA LYS 13 HA LYS 13 3.601 12.961 -2.307
75 HB2 LYS 13 HB2 LYS 13 1.823 14.558 -2.983
76 HB3 LYS 13 HB3 LYS 13 1.655 13.664 -4.489
77 HG2 LYS 13 HG2 LYS 13 1.312 11.664 -3.059
78 HG3 LYS 13 HG3 LYS 13 1.102 12.807 -1.732
79 HD2 LYS 13 HD2 LYS 13 -1.092 12.224 -2.623
80 HD3 LYS 13 HD3 LYS 13 -0.722 13.903 -3.022
81 HE2 LYS 13 HE2 LYS 13 -0.124 13.291 -5.275
82 HE3 LYS 13 HE3 LYS 13 -0.274 11.578 -4.893
83 HZ1 LYS 13 HZ1 LYS 13 -2.499 13.540 -4.843
84 HZ2 LYS 13 HZ2 LYS 13 -2.627 11.878 -4.558
85 HZ3 LYS 13 HZ3 LYS 13 -2.198 12.440 -6.091
86 H VAL 14 H VAL 14 3.847 10.794 -2.522
87 HA VAL 14 HA VAL 14 3.920 9.727 -5.253
88 HB VAL 14 HB VAL 14 5.426 8.739 -2.831
89 HG11 VAL 14 HG11 VAL 14 6.502 7.192 -4.380
90 HG12 VAL 14 HG12 VAL 14 5.458 7.769 -5.682
91 HG13 VAL 14 HG13 VAL 14 4.763 6.917 -4.302
92 HG21 VAL 14 HG21 VAL 14 6.339 10.802 -3.732
93 HG22 VAL 14 HG22 VAL 14 6.378 10.089 -5.345
94 HG23 VAL 14 HG23 VAL 14 7.413 9.443 -4.071
95 H ASP 15 H ASP 15 2.449 8.325 -5.737
96 HA ASP 15 HA ASP 15 0.756 7.208 -3.626
97 HB2 ASP 15 HB2 ASP 15 -0.211 8.427 -5.657
98 HB3 ASP 15 HB3 ASP 15 0.319 7.051 -6.601
99 HA PRO 16 HA PRO 16 2.708 3.218 -3.968
100 HB2 PRO 16 HB2 PRO 16 -0.019 2.186 -3.381
101 HB3 PRO 16 HB3 PRO 16 1.506 1.856 -2.555
102 HG2 PRO 16 HG2 PRO 16 -0.312 3.455 -1.454
103 HG3 PRO 16 HG3 PRO 16 1.418 3.817 -1.324
104 HD2 PRO 16 HD2 PRO 16 -0.653 5.059 -3.084
105 HD3 PRO 16 HD3 PRO 16 0.716 5.812 -2.238
106 H GLU 17 H GLU 17 -0.144 4.118 -5.764
107 HA GLU 17 HA GLU 17 0.150 1.825 -7.558
108 HB2 GLU 17 HB2 GLU 17 -2.113 2.432 -6.834
109 HB3 GLU 17 HB3 GLU 17 -1.903 4.043 -7.497
110 HG2 GLU 17 HG2 GLU 17 -1.701 3.079 -9.740
111 HG3 GLU 17 HG3 GLU 17 -1.952 1.475 -9.057
112 H ARG 18 H ARG 18 0.840 5.195 -7.327
113 HA ARG 18 HA ARG 18 1.727 5.187 -10.124
114 HB2 ARG 18 HB2 ARG 18 0.629 7.557 -8.592
115 HB3 ARG 18 HB3 ARG 18 1.271 7.611 -10.226
116 HG2 ARG 18 HG2 ARG 18 -0.874 7.380 -10.834
117 HG3 ARG 18 HG3 ARG 18 -0.601 5.676 -10.467
118 HD2 ARG 18 HD2 ARG 18 -2.611 6.318 -9.375
119 HD3 ARG 18 HD3 ARG 18 -1.368 6.132 -8.138
120 HE ARG 18 HE ARG 18 -1.314 8.787 -8.840
121 HH11 ARG 18 HH11 ARG 18 -3.685 6.580 -7.509
122 HH12 ARG 18 HH12 ARG 18 -4.557 7.816 -6.675
123 HH21 ARG 18 HH21 ARG 18 -2.472 10.431 -7.738
124 HH22 ARG 18 HH22 ARG 18 -3.875 10.012 -6.814
125 H VAL 19 H VAL 19 3.527 4.244 -8.689
126 HA VAL 19 HA VAL 19 5.351 6.452 -8.067
127 HB VAL 19 HB VAL 19 4.890 5.510 -5.948
128 HG11 VAL 19 HG11 VAL 19 5.289 2.795 -7.189
129 HG12 VAL 19 HG12 VAL 19 3.769 3.483 -6.604
130 HG13 VAL 19 HG13 VAL 19 5.065 3.100 -5.467
131 HG21 VAL 19 HG21 VAL 19 7.010 4.457 -5.276
132 HG22 VAL 19 HG22 VAL 19 7.250 5.882 -6.290
133 HG23 VAL 19 HG23 VAL 19 7.435 4.269 -6.978
134 H PHE 20 H PHE 20 7.151 6.475 -9.183
135 HA PHE 20 HA PHE 20 7.899 4.099 -10.704
136 HB2 PHE 20 HB2 PHE 20 8.596 7.013 -10.929
137 HB3 PHE 20 HB3 PHE 20 9.590 5.793 -11.708
138 HD1 PHE 20 HD1 PHE 20 6.493 7.637 -11.797
139 HD2 PHE 20 HD2 PHE 20 8.610 4.376 -13.499
140 HE1 PHE 20 HE1 PHE 20 4.937 7.633 -13.706
141 HE2 PHE 20 HE2 PHE 20 7.068 4.363 -15.414
142 HZ PHE 20 HZ PHE 20 5.226 5.994 -15.519
143 H ASN 21 H ASN 21 9.170 2.785 -9.609
144 HA ASN 21 HA ASN 21 10.930 3.871 -7.569
145 HB2 ASN 21 HB2 ASN 21 11.298 1.526 -6.903
146 HB3 ASN 21 HB3 ASN 21 9.588 1.936 -6.936
147 HD21 ASN 21 HD21 ASN 21 12.129 0.119 -8.445
148 HD22 ASN 21 HD22 ASN 21 11.114 -0.898 -9.403
149 H HIS 22 H HIS 22 13.091 3.831 -7.619
150 HA HIS 22 HA HIS 22 14.435 2.394 -9.726
151 HB2 HIS 22 HB2 HIS 22 14.047 4.424 -10.912
152 HB3 HIS 22 HB3 HIS 22 14.530 5.404 -9.538
153 HD2 HIS 22 HD2 HIS 22 17.161 6.081 -9.498
154 HE1 HIS 22 HE1 HIS 22 18.475 3.464 -12.570
155 HE2 HIS 22 HE2 HIS 22 19.163 5.244 -10.925
156 H ASP 23 H ASP 23 16.093 1.410 -8.865
157 HA ASP 23 HA ASP 23 17.890 0.877 -7.602
158 HB2 ASP 23 HB2 ASP 23 18.745 3.035 -8.535
159 HB3 ASP 23 HB3 ASP 23 18.149 3.853 -7.097
160 H GLY 24 H GLY 24 15.190 1.189 -6.372
161 HA2 GLY 24 HA2 GLY 24 14.604 0.338 -4.237
162 HA3 GLY 24 HA3 GLY 24 16.117 0.963 -3.600
163 H GLU 25 H GLU 25 15.248 3.480 -5.283
164 HA GLU 25 HA GLU 25 13.829 4.689 -3.036
165 HB2 GLU 25 HB2 GLU 25 16.005 5.667 -3.985
166 HB3 GLU 25 HB3 GLU 25 15.047 6.106 -5.392
167 HG2 GLU 25 HG2 GLU 25 13.777 7.653 -4.209
168 HG3 GLU 25 HG3 GLU 25 14.267 7.001 -2.649
169 H ALA 26 H ALA 26 12.039 6.087 -3.469
170 HA ALA 26 HA ALA 26 10.475 5.155 -5.780
171 HB1 ALA 26 HB1 ALA 26 9.477 6.127 -3.104
172 HB2 ALA 26 HB2 ALA 26 9.566 4.444 -3.624
173 HB3 ALA 26 HB3 ALA 26 8.476 5.561 -4.440
174 H TYR 27 H TYR 27 9.361 6.623 -7.021
175 HA TYR 27 HA TYR 27 9.761 9.463 -6.389
176 HB2 TYR 27 HB2 TYR 27 10.163 8.178 -9.091
177 HB3 TYR 27 HB3 TYR 27 10.236 9.903 -8.757
178 HD1 TYR 27 HD1 TYR 27 11.997 6.712 -8.532
179 HD2 TYR 27 HD2 TYR 27 12.129 10.838 -7.505
180 HE1 TYR 27 HE1 TYR 27 14.392 6.518 -8.055
181 HE2 TYR 27 HE2 TYR 27 14.529 10.644 -7.041
182 HH TYR 27 HH TYR 27 16.088 8.677 -6.303
183 H CYS 28 H CYS 28 8.226 10.880 -7.376
184 HA CYS 28 HA CYS 28 5.591 9.821 -7.384
185 HB2 CYS 28 HB2 CYS 28 4.897 12.091 -7.898
186 HB3 CYS 28 HB3 CYS 28 6.143 12.114 -6.655
187 H SER 29 H SER 29 7.846 10.832 -9.863
188 HA SER 29 HA SER 29 6.190 9.573 -11.898
189 HB2 SER 29 HB2 SER 29 6.449 11.545 -13.366
190 HB3 SER 29 HB3 SER 29 5.507 11.908 -11.919
191 HG SER 29 HG SER 29 7.299 12.908 -11.019
192 H GLN 30 H GLN 30 7.480 9.792 -14.075
193 HA GLN 30 HA GLN 30 10.002 8.576 -13.611
194 HB2 GLN 30 HB2 GLN 30 10.203 8.454 -16.055
195 HB3 GLN 30 HB3 GLN 30 8.669 7.827 -15.481
196 HG2 GLN 30 HG2 GLN 30 8.943 10.626 -16.504
197 HG3 GLN 30 HG3 GLN 30 8.688 9.266 -17.595
198 HE21 GLN 30 HE21 GLN 30 7.254 11.436 -15.349
199 HE22 GLN 30 HE22 GLN 30 5.635 10.854 -15.489
200 H ALA 31 H ALA 31 9.010 11.814 -13.943
201 HA ALA 31 HA ALA 31 11.302 12.929 -15.160
202 HB1 ALA 31 HB1 ALA 31 9.225 14.172 -14.953
203 HB2 ALA 31 HB2 ALA 31 10.539 15.043 -14.163
204 HB3 ALA 31 HB3 ALA 31 9.365 14.148 -13.196
205 H CYS 32 H CYS 32 10.363 12.887 -11.735
206 HA CYS 32 HA CYS 32 12.887 13.709 -10.798
207 HB2 CYS 32 HB2 CYS 32 10.622 12.298 -9.380
208 HB3 CYS 32 HB3 CYS 32 12.016 13.002 -8.578
209 H ALA 33 H ALA 33 11.568 10.608 -11.605
210 HA ALA 33 HA ALA 33 13.346 8.988 -10.077
211 HB1 ALA 33 HB1 ALA 33 12.534 7.112 -11.370
212 HB2 ALA 33 HB2 ALA 33 11.857 8.200 -12.584
213 HB3 ALA 33 HB3 ALA 33 11.178 8.164 -10.957
214 H GLU 34 H GLU 34 13.314 10.028 -13.429
215 HA GLU 34 HA GLU 34 15.835 8.743 -14.008
216 HB2 GLU 34 HB2 GLU 34 14.091 10.567 -15.664
217 HB3 GLU 34 HB3 GLU 34 15.580 9.834 -16.244
218 HG2 GLU 34 HG2 GLU 34 13.150 8.326 -15.303
219 HG3 GLU 34 HG3 GLU 34 13.587 8.623 -16.985
220 H GLN 35 H GLN 35 15.137 11.303 -12.252
221 HA GLN 35 HA GLN 35 16.270 13.067 -11.445
222 HB2 GLN 35 HB2 GLN 35 18.598 11.871 -12.946
223 HB3 GLN 35 HB3 GLN 35 18.715 13.126 -11.718
224 HG2 GLN 35 HG2 GLN 35 17.786 11.593 -10.060
225 HG3 GLN 35 HG3 GLN 35 17.671 10.336 -11.290
226 HE21 GLN 35 HE21 GLN 35 19.778 12.175 -9.262
227 HE22 GLN 35 HE22 GLN 35 21.177 11.184 -9.483
228 H HIS 36 H HIS 36 14.920 13.141 -14.015
229 HA HIS 36 HA HIS 36 14.425 14.572 -15.689
230 HB2 HIS 36 HB2 HIS 36 15.965 16.650 -14.117
231 HB3 HIS 36 HB3 HIS 36 14.644 16.925 -15.246
232 HD1 HIS 36 HD1 HIS 36 12.378 17.180 -14.185
233 HD2 HIS 36 HD2 HIS 36 15.037 15.120 -11.739
234 HE1 HIS 36 HE1 HIS 36 11.174 16.800 -12.012
235 HA PRO 37 HA PRO 37 18.565 14.348 -17.699
236 HB2 PRO 37 HB2 PRO 37 18.002 12.502 -19.556
237 HB3 PRO 37 HB3 PRO 37 18.400 12.048 -17.895
238 HG2 PRO 37 HG2 PRO 37 15.734 12.204 -19.230
239 HG3 PRO 37 HG3 PRO 37 16.344 10.996 -18.087
240 HD2 PRO 37 HD2 PRO 37 14.693 13.109 -17.418
241 HD3 PRO 37 HD3 PRO 37 15.748 12.253 -16.276
242 H ASN 38 H ASN 38 15.327 14.971 -18.752
243 HA ASN 38 HA ASN 38 16.387 16.304 -21.171
244 HB2 ASN 38 HB2 ASN 38 14.683 14.293 -21.312
245 HB3 ASN 38 HB3 ASN 38 13.507 15.539 -20.923
246 HD21 ASN 38 HD21 ASN 38 14.880 17.652 -22.357
247 HD22 ASN 38 HD22 ASN 38 14.673 17.319 -24.040
248 H GLY 39 H GLY 39 14.711 16.641 -18.220
249 HA2 GLY 39 HA2 GLY 39 14.492 18.805 -17.210
250 HA3 GLY 39 HA3 GLY 39 14.301 19.493 -18.821
251 H GLU 40 H GLU 40 12.740 16.572 -17.853
252 HA GLU 40 HA GLU 40 10.164 17.705 -18.420
253 HB2 GLU 40 HB2 GLU 40 9.357 15.369 -17.872
254 HB3 GLU 40 HB3 GLU 40 10.480 15.490 -19.213
255 HG2 GLU 40 HG2 GLU 40 11.425 14.798 -16.451
256 HG3 GLU 40 HG3 GLU 40 10.770 13.574 -17.533
257 HA PRO 41 HA PRO 41 9.355 18.734 -14.191
258 HB2 PRO 41 HB2 PRO 41 6.828 19.574 -14.457
259 HB3 PRO 41 HB3 PRO 41 8.181 20.487 -15.135
260 HG2 PRO 41 HG2 PRO 41 6.274 18.634 -16.500
261 HG3 PRO 41 HG3 PRO 41 6.903 20.195 -17.053
262 HD2 PRO 41 HD2 PRO 41 7.883 17.756 -17.870
263 HD3 PRO 41 HD3 PRO 41 8.823 19.261 -17.874
264 H CYS 42 H CYS 42 8.207 18.005 -12.403
265 HA CYS 42 HA CYS 42 6.910 15.416 -12.722
266 HB2 CYS 42 HB2 CYS 42 7.303 15.212 -10.282
267 HB3 CYS 42 HB3 CYS 42 8.787 15.551 -11.160
268 HA PRO 43 HA PRO 43 2.880 17.058 -11.832
269 HB2 PRO 43 HB2 PRO 43 1.699 15.050 -10.482
270 HB3 PRO 43 HB3 PRO 43 2.128 14.910 -12.192
271 HG2 PRO 43 HG2 PRO 43 3.620 13.916 -9.790
272 HG3 PRO 43 HG3 PRO 43 3.240 13.061 -11.299
273 HD2 PRO 43 HD2 PRO 43 5.653 14.182 -10.860
274 HD3 PRO 43 HD3 PRO 43 4.917 14.124 -12.471
275 H ALA 44 H ALA 44 5.063 17.513 -9.696
276 HA ALA 44 HA ALA 44 3.532 17.536 -7.249
277 HB1 ALA 44 HB1 ALA 44 5.918 17.059 -7.164
278 HB2 ALA 44 HB2 ALA 44 5.524 18.513 -6.246
279 HB3 ALA 44 HB3 ALA 44 6.266 18.650 -7.840
280 HA PRO 45 HA PRO 45 1.822 21.585 -8.018
281 HB2 PRO 45 HB2 PRO 45 0.861 22.002 -5.512
282 HB3 PRO 45 HB3 PRO 45 0.073 20.912 -6.658
283 HG2 PRO 45 HG2 PRO 45 2.001 20.255 -4.453
284 HG3 PRO 45 HG3 PRO 45 0.449 19.476 -4.836
285 HD2 PRO 45 HD2 PRO 45 2.768 18.402 -5.597
286 HD3 PRO 45 HD3 PRO 45 1.346 18.347 -6.659
287 H ASP 46 H ASP 46 4.018 20.792 -5.408
288 HA ASP 46 HA ASP 46 4.845 23.614 -5.217
289 HB2 ASP 46 HB2 ASP 46 3.989 22.409 -3.138
290 HB3 ASP 46 HB3 ASP 46 5.431 21.406 -3.231
291 H CYS 47 H CYS 47 5.602 21.765 -7.294
292 HA CYS 47 HA CYS 47 8.071 20.553 -7.049
293 HB2 CYS 47 HB2 CYS 47 6.779 20.252 -9.047
294 HB3 CYS 47 HB3 CYS 47 6.845 21.971 -9.414
295 H HIS 48 H HIS 48 10.103 21.190 -6.880
296 HA HIS 48 HA HIS 48 10.809 23.962 -7.519
297 HB2 HIS 48 HB2 HIS 48 11.341 22.588 -4.886
298 HB3 HIS 48 HB3 HIS 48 12.249 23.996 -5.417
299 HD1 HIS 48 HD1 HIS 48 9.815 23.368 -3.112
300 HD2 HIS 48 HD2 HIS 48 9.939 26.014 -6.311
301 HE1 HIS 48 HE1 HIS 48 8.151 25.163 -2.567
302 HE2 HIS 48 HE2 HIS 48 8.343 26.821 -4.438
303 H CYS 49 H CYS 49 11.275 21.216 -8.668
304 HA CYS 49 HA CYS 49 13.872 20.316 -8.307
305 HB2 CYS 49 HB2 CYS 49 12.245 20.349 -10.849
306 HB3 CYS 49 HB3 CYS 49 13.696 19.391 -10.590
307 H GLU 50 H GLU 50 15.681 21.434 -8.414
308 HA GLU 50 HA GLU 50 16.281 22.859 -10.843
309 HB2 GLU 50 HB2 GLU 50 15.327 24.632 -9.478
310 HB3 GLU 50 HB3 GLU 50 16.426 24.237 -8.162
311 HG2 GLU 50 HG2 GLU 50 18.326 24.835 -9.574
312 HG3 GLU 50 HG3 GLU 50 17.220 25.243 -10.881
313 H ARG 51 H ARG 51 17.673 21.013 -11.017
314 HA ARG 51 HA ARG 51 19.970 21.094 -9.280
315 HB2 ARG 51 HB2 ARG 51 20.612 18.980 -10.292
316 HB3 ARG 51 HB3 ARG 51 18.958 18.871 -9.724
317 HG2 ARG 51 HG2 ARG 51 18.124 19.121 -11.974
318 HG3 ARG 51 HG3 ARG 51 19.766 19.356 -12.584
319 HD2 ARG 51 HD2 ARG 51 18.647 16.864 -11.294
320 HD3 ARG 51 HD3 ARG 51 19.064 17.073 -12.993
321 HE ARG 51 HE ARG 51 21.320 17.593 -11.366
322 HH11 ARG 51 HH11 ARG 51 19.388 14.935 -12.615
323 HH12 ARG 51 HH12 ARG 51 20.658 13.770 -12.432
324 HH21 ARG 51 HH21 ARG 51 23.003 16.027 -11.145
325 HH22 ARG 51 HH22 ARG 51 22.703 14.385 -11.605
326 H SER 52 H SER 52 22.046 21.159 -10.350
327 HA SER 52 HA SER 52 23.534 21.990 -11.742
328 HB2 SER 52 HB2 SER 52 21.381 22.035 -13.850
329 HB3 SER 52 HB3 SER 52 23.117 22.147 -14.140
330 HG SER 52 HG SER 52 22.662 19.990 -12.663
Start of MODEL 13
1 HA ASN 1 HA ASN 1 0.557 6.808 1.988
2 HB2 ASN 1 HB2 ASN 1 0.051 6.232 4.327
3 HB3 ASN 1 HB3 ASN 1 -0.829 5.194 3.213
4 HD21 ASN 1 HD21 ASN 1 -0.156 3.019 2.989
5 HD22 ASN 1 HD22 ASN 1 0.771 2.241 4.226
6 H GLU 2 H GLU 2 1.827 8.295 2.978
7 HA GLU 2 HA GLU 2 3.694 9.324 3.733
8 HB2 GLU 2 HB2 GLU 2 4.098 6.635 5.020
9 HB3 GLU 2 HB3 GLU 2 5.200 7.981 5.275
10 HG2 GLU 2 HG2 GLU 2 3.449 9.296 6.248
11 HG3 GLU 2 HG3 GLU 2 2.257 8.052 5.864
12 H LEU 3 H LEU 3 3.722 7.939 1.153
13 HA LEU 3 HA LEU 3 6.520 7.188 0.909
14 HB2 LEU 3 HB2 LEU 3 4.567 5.922 -0.172
15 HB3 LEU 3 HB3 LEU 3 4.486 7.256 -1.304
16 HG LEU 3 HG LEU 3 6.731 6.772 -2.099
17 HD11 LEU 3 HD11 LEU 3 6.705 4.573 -0.031
18 HD12 LEU 3 HD12 LEU 3 7.762 5.987 -0.055
19 HD13 LEU 3 HD13 LEU 3 7.913 4.751 -1.301
20 HD21 LEU 3 HD21 LEU 3 4.845 5.594 -3.120
21 HD22 LEU 3 HD22 LEU 3 5.030 4.287 -1.951
22 HD23 LEU 3 HD23 LEU 3 6.305 4.607 -3.127
23 H ARG 4 H ARG 4 7.944 8.738 0.576
24 HA ARG 4 HA ARG 4 7.029 11.268 -0.568
25 HB2 ARG 4 HB2 ARG 4 9.468 10.589 1.079
26 HB3 ARG 4 HB3 ARG 4 9.255 12.136 0.287
27 HG2 ARG 4 HG2 ARG 4 8.591 12.501 2.496
28 HG3 ARG 4 HG3 ARG 4 7.078 12.328 1.609
29 HD2 ARG 4 HD2 ARG 4 6.884 10.023 2.355
30 HD3 ARG 4 HD3 ARG 4 8.440 10.139 3.176
31 HE ARG 4 HE ARG 4 6.411 12.044 4.001
32 HH11 ARG 4 HH11 ARG 4 7.913 8.938 4.607
33 HH12 ARG 4 HH12 ARG 4 7.474 8.896 6.280
34 HH21 ARG 4 HH21 ARG 4 5.816 11.992 6.233
35 HH22 ARG 4 HH22 ARG 4 6.282 10.638 7.203
36 H CYS 5 H CYS 5 8.476 12.403 -2.021
37 HA CYS 5 HA CYS 5 9.243 10.694 -4.160
38 HB2 CYS 5 HB2 CYS 5 8.229 12.986 -4.403
39 HB3 CYS 5 HB3 CYS 5 9.768 13.658 -3.877
40 H GLY 6 H GLY 6 11.253 10.205 -4.928
41 HA2 GLY 6 HA2 GLY 6 13.352 10.039 -3.019
42 HA3 GLY 6 HA3 GLY 6 13.421 9.584 -4.715
43 H CYS 7 H CYS 7 12.511 12.369 -5.344
44 HA CYS 7 HA CYS 7 15.008 13.449 -5.951
45 HB2 CYS 7 HB2 CYS 7 12.450 14.010 -6.666
46 HB3 CYS 7 HB3 CYS 7 12.815 15.372 -5.616
47 HA PRO 8 HA PRO 8 15.943 14.787 -1.757
48 HB2 PRO 8 HB2 PRO 8 18.420 15.778 -2.997
49 HB3 PRO 8 HB3 PRO 8 18.216 14.597 -1.703
50 HG2 PRO 8 HG2 PRO 8 18.995 13.875 -4.167
51 HG3 PRO 8 HG3 PRO 8 17.961 12.837 -3.169
52 HD2 PRO 8 HD2 PRO 8 17.216 14.610 -5.464
53 HD3 PRO 8 HD3 PRO 8 16.625 12.985 -5.036
54 H ASP 9 H ASP 9 15.923 16.714 -4.631
55 HA ASP 9 HA ASP 9 16.180 19.158 -3.042
56 HB2 ASP 9 HB2 ASP 9 17.616 18.897 -5.051
57 HB3 ASP 9 HB3 ASP 9 16.169 18.854 -6.049
58 H CYS 10 H CYS 10 13.739 17.192 -4.241
59 HA CYS 10 HA CYS 10 11.876 19.466 -4.150
60 HB2 CYS 10 HB2 CYS 10 12.406 18.626 -6.530
61 HB3 CYS 10 HB3 CYS 10 11.450 17.213 -6.097
62 H HIS 11 H HIS 11 9.735 18.962 -3.485
63 HA HIS 11 HA HIS 11 9.548 16.382 -2.096
64 HB2 HIS 11 HB2 HIS 11 8.425 19.016 -1.127
65 HB3 HIS 11 HB3 HIS 11 8.302 17.467 -0.299
66 HD2 HIS 11 HD2 HIS 11 10.918 16.463 0.567
67 HE1 HIS 11 HE1 HIS 11 12.576 20.361 0.696
68 HE2 HIS 11 HE2 HIS 11 12.961 17.921 1.160
69 H CYS 12 H CYS 12 8.316 15.316 -3.529
70 HA CYS 12 HA CYS 12 5.732 16.522 -4.264
71 HB2 CYS 12 HB2 CYS 12 6.914 14.237 -5.766
72 HB3 CYS 12 HB3 CYS 12 5.874 15.534 -6.341
73 H LYS 13 H LYS 13 3.914 15.071 -4.365
74 HA LYS 13 HA LYS 13 3.978 13.052 -2.318
75 HB2 LYS 13 HB2 LYS 13 1.528 12.783 -2.890
76 HB3 LYS 13 HB3 LYS 13 2.000 14.381 -2.350
77 HG2 LYS 13 HG2 LYS 13 0.551 14.811 -4.117
78 HG3 LYS 13 HG3 LYS 13 2.139 14.975 -4.854
79 HD2 LYS 13 HD2 LYS 13 0.769 13.730 -6.366
80 HD3 LYS 13 HD3 LYS 13 1.914 12.602 -5.643
81 HE2 LYS 13 HE2 LYS 13 -0.230 11.544 -5.694
82 HE3 LYS 13 HE3 LYS 13 0.128 11.946 -4.018
83 HZ1 LYS 13 HZ1 LYS 13 -2.148 12.497 -4.573
84 HZ2 LYS 13 HZ2 LYS 13 -1.641 13.485 -5.841
85 HZ3 LYS 13 HZ3 LYS 13 -1.287 13.912 -4.247
86 H VAL 14 H VAL 14 3.766 10.846 -2.576
87 HA VAL 14 HA VAL 14 4.018 9.891 -5.347
88 HB VAL 14 HB VAL 14 5.393 8.738 -2.912
89 HG11 VAL 14 HG11 VAL 14 4.811 7.070 -4.607
90 HG12 VAL 14 HG12 VAL 14 6.552 7.305 -4.473
91 HG13 VAL 14 HG13 VAL 14 5.667 8.019 -5.823
92 HG21 VAL 14 HG21 VAL 14 7.456 9.535 -3.942
93 HG22 VAL 14 HG22 VAL 14 6.362 10.867 -3.563
94 HG23 VAL 14 HG23 VAL 14 6.520 10.298 -5.225
95 H ASP 15 H ASP 15 2.818 8.175 -5.935
96 HA ASP 15 HA ASP 15 0.840 7.208 -4.013
97 HB2 ASP 15 HB2 ASP 15 0.131 8.048 -6.270
98 HB3 ASP 15 HB3 ASP 15 0.997 6.691 -6.978
99 HA PRO 16 HA PRO 16 3.238 3.547 -3.327
100 HB2 PRO 16 HB2 PRO 16 0.620 2.315 -2.694
101 HB3 PRO 16 HB3 PRO 16 2.082 2.416 -1.706
102 HG2 PRO 16 HG2 PRO 16 -0.041 3.942 -1.182
103 HG3 PRO 16 HG3 PRO 16 1.608 4.562 -0.990
104 HD2 PRO 16 HD2 PRO 16 -0.373 5.079 -3.164
105 HD3 PRO 16 HD3 PRO 16 0.797 6.179 -2.405
106 H GLU 17 H GLU 17 0.461 3.540 -5.443
107 HA GLU 17 HA GLU 17 1.350 0.981 -6.579
108 HB2 GLU 17 HB2 GLU 17 -0.976 0.973 -6.058
109 HB3 GLU 17 HB3 GLU 17 -1.219 2.528 -6.838
110 HG2 GLU 17 HG2 GLU 17 -0.662 1.483 -9.002
111 HG3 GLU 17 HG3 GLU 17 -0.565 -0.078 -8.185
112 H ARG 18 H ARG 18 1.114 4.351 -7.219
113 HA ARG 18 HA ARG 18 1.817 3.890 -10.055
114 HB2 ARG 18 HB2 ARG 18 0.579 6.349 -8.822
115 HB3 ARG 18 HB3 ARG 18 0.862 6.064 -10.534
116 HG2 ARG 18 HG2 ARG 18 -0.726 4.259 -10.547
117 HG3 ARG 18 HG3 ARG 18 -0.946 4.402 -8.803
118 HD2 ARG 18 HD2 ARG 18 -1.759 6.691 -9.136
119 HD3 ARG 18 HD3 ARG 18 -1.622 6.453 -10.878
120 HE ARG 18 HE ARG 18 -3.326 4.676 -9.281
121 HH11 ARG 18 HH11 ARG 18 -3.012 7.099 -11.804
122 HH12 ARG 18 HH12 ARG 18 -4.615 6.857 -12.408
123 HH21 ARG 18 HH21 ARG 18 -5.458 4.364 -10.086
124 HH22 ARG 18 HH22 ARG 18 -6.005 5.299 -11.433
125 H VAL 19 H VAL 19 3.638 3.746 -8.014
126 HA VAL 19 HA VAL 19 5.207 6.201 -8.083
127 HB VAL 19 HB VAL 19 5.041 5.285 -5.893
128 HG11 VAL 19 HG11 VAL 19 5.928 2.651 -7.063
129 HG12 VAL 19 HG12 VAL 19 4.324 3.042 -6.439
130 HG13 VAL 19 HG13 VAL 19 5.704 2.977 -5.343
131 HG21 VAL 19 HG21 VAL 19 7.375 4.690 -5.341
132 HG22 VAL 19 HG22 VAL 19 7.251 6.109 -6.382
133 HG23 VAL 19 HG23 VAL 19 7.719 4.551 -7.065
134 H PHE 20 H PHE 20 7.082 6.415 -9.172
135 HA PHE 20 HA PHE 20 7.967 4.205 -10.834
136 HB2 PHE 20 HB2 PHE 20 8.656 7.131 -10.714
137 HB3 PHE 20 HB3 PHE 20 9.682 6.004 -11.590
138 HD1 PHE 20 HD1 PHE 20 6.620 7.884 -11.614
139 HD2 PHE 20 HD2 PHE 20 8.744 4.737 -13.515
140 HE1 PHE 20 HE1 PHE 20 5.135 8.074 -13.565
141 HE2 PHE 20 HE2 PHE 20 7.270 4.919 -15.476
142 HZ PHE 20 HZ PHE 20 5.462 6.591 -15.500
143 H ASN 21 H ASN 21 9.230 2.784 -9.888
144 HA ASN 21 HA ASN 21 10.902 3.617 -7.649
145 HB2 ASN 21 HB2 ASN 21 9.452 1.693 -7.275
146 HB3 ASN 21 HB3 ASN 21 10.176 0.858 -8.645
147 HD21 ASN 21 HD21 ASN 21 12.270 0.041 -8.457
148 HD22 ASN 21 HD22 ASN 21 13.015 -0.196 -6.917
149 H HIS 22 H HIS 22 12.927 4.088 -7.984
150 HA HIS 22 HA HIS 22 14.400 2.533 -9.976
151 HB2 HIS 22 HB2 HIS 22 14.093 4.612 -11.091
152 HB3 HIS 22 HB3 HIS 22 14.440 5.535 -9.637
153 HD2 HIS 22 HD2 HIS 22 17.059 6.237 -9.320
154 HE1 HIS 22 HE1 HIS 22 18.659 3.874 -12.454
155 HE2 HIS 22 HE2 HIS 22 19.078 5.780 -10.867
156 H ASP 23 H ASP 23 16.121 1.574 -9.185
157 HA ASP 23 HA ASP 23 17.821 0.936 -7.817
158 HB2 ASP 23 HB2 ASP 23 18.684 3.223 -8.360
159 HB3 ASP 23 HB3 ASP 23 17.876 3.838 -6.926
160 H GLY 24 H GLY 24 14.957 1.180 -6.895
161 HA2 GLY 24 HA2 GLY 24 14.004 0.175 -5.010
162 HA3 GLY 24 HA3 GLY 24 15.502 0.450 -4.131
163 H GLU 25 H GLU 25 14.904 3.300 -5.596
164 HA GLU 25 HA GLU 25 13.614 4.338 -3.193
165 HB2 GLU 25 HB2 GLU 25 15.788 5.340 -4.027
166 HB3 GLU 25 HB3 GLU 25 14.884 5.896 -5.429
167 HG2 GLU 25 HG2 GLU 25 13.598 7.385 -4.173
168 HG3 GLU 25 HG3 GLU 25 14.078 6.642 -2.649
169 H ALA 26 H ALA 26 11.905 5.807 -3.361
170 HA ALA 26 HA ALA 26 10.101 5.157 -5.581
171 HB1 ALA 26 HB1 ALA 26 9.530 6.168 -2.801
172 HB2 ALA 26 HB2 ALA 26 9.287 4.524 -3.396
173 HB3 ALA 26 HB3 ALA 26 8.310 5.849 -4.030
174 H TYR 27 H TYR 27 9.390 6.695 -6.933
175 HA TYR 27 HA TYR 27 9.891 9.509 -6.213
176 HB2 TYR 27 HB2 TYR 27 10.203 8.244 -8.932
177 HB3 TYR 27 HB3 TYR 27 10.388 9.954 -8.570
178 HD1 TYR 27 HD1 TYR 27 11.905 6.635 -8.303
179 HD2 TYR 27 HD2 TYR 27 12.369 10.765 -7.420
180 HE1 TYR 27 HE1 TYR 27 14.289 6.267 -7.874
181 HE2 TYR 27 HE2 TYR 27 14.762 10.408 -7.001
182 HH TYR 27 HH TYR 27 16.172 8.266 -6.216
183 H CYS 28 H CYS 28 8.426 11.048 -7.107
184 HA CYS 28 HA CYS 28 5.744 10.159 -7.178
185 HB2 CYS 28 HB2 CYS 28 5.172 12.470 -7.639
186 HB3 CYS 28 HB3 CYS 28 6.435 12.413 -6.416
187 H SER 29 H SER 29 8.004 11.196 -9.645
188 HA SER 29 HA SER 29 6.305 9.971 -11.675
189 HB2 SER 29 HB2 SER 29 6.692 11.912 -13.150
190 HB3 SER 29 HB3 SER 29 5.793 12.362 -11.700
191 HG SER 29 HG SER 29 7.586 13.326 -10.866
192 H GLN 30 H GLN 30 7.631 10.085 -13.830
193 HA GLN 30 HA GLN 30 10.094 8.754 -13.313
194 HB2 GLN 30 HB2 GLN 30 10.252 8.409 -15.679
195 HB3 GLN 30 HB3 GLN 30 8.597 8.114 -15.181
196 HG2 GLN 30 HG2 GLN 30 9.611 10.606 -16.522
197 HG3 GLN 30 HG3 GLN 30 8.747 9.294 -17.318
198 HE21 GLN 30 HE21 GLN 30 8.509 12.137 -15.437
199 HE22 GLN 30 HE22 GLN 30 6.787 12.224 -15.356
200 H ALA 31 H ALA 31 9.199 11.987 -13.631
201 HA ALA 31 HA ALA 31 11.479 13.046 -14.930
202 HB1 ALA 31 HB1 ALA 31 9.625 14.337 -12.927
203 HB2 ALA 31 HB2 ALA 31 9.404 14.314 -14.677
204 HB3 ALA 31 HB3 ALA 31 10.765 15.185 -13.971
205 H CYS 32 H CYS 32 10.600 13.058 -11.484
206 HA CYS 32 HA CYS 32 13.170 13.809 -10.607
207 HB2 CYS 32 HB2 CYS 32 10.924 12.464 -9.090
208 HB3 CYS 32 HB3 CYS 32 12.327 13.230 -8.363
209 H ALA 33 H ALA 33 11.740 10.773 -11.393
210 HA ALA 33 HA ALA 33 13.450 9.066 -9.886
211 HB1 ALA 33 HB1 ALA 33 11.920 8.385 -12.397
212 HB2 ALA 33 HB2 ALA 33 11.248 8.361 -10.768
213 HB3 ALA 33 HB3 ALA 33 12.547 7.250 -11.202
214 H GLU 34 H GLU 34 13.467 10.202 -13.198
215 HA GLU 34 HA GLU 34 15.919 8.781 -13.807
216 HB2 GLU 34 HB2 GLU 34 14.167 10.560 -15.491
217 HB3 GLU 34 HB3 GLU 34 15.625 9.774 -16.077
218 HG2 GLU 34 HG2 GLU 34 13.185 8.367 -15.011
219 HG3 GLU 34 HG3 GLU 34 13.602 8.561 -16.713
220 H GLN 35 H GLN 35 15.454 11.327 -12.039
221 HA GLN 35 HA GLN 35 16.664 13.110 -11.380
222 HB2 GLN 35 HB2 GLN 35 18.848 11.927 -13.107
223 HB3 GLN 35 HB3 GLN 35 19.069 13.151 -11.865
224 HG2 GLN 35 HG2 GLN 35 18.215 11.510 -10.194
225 HG3 GLN 35 HG3 GLN 35 18.204 10.295 -11.469
226 HE21 GLN 35 HE21 GLN 35 19.695 10.333 -8.995
227 HE22 GLN 35 HE22 GLN 35 21.367 10.247 -9.427
228 H HIS 36 H HIS 36 15.110 13.076 -13.903
229 HA HIS 36 HA HIS 36 14.457 14.494 -15.535
230 HB2 HIS 36 HB2 HIS 36 16.112 16.606 -14.134
231 HB3 HIS 36 HB3 HIS 36 14.699 16.857 -15.153
232 HD1 HIS 36 HD1 HIS 36 12.529 17.123 -13.912
233 HD2 HIS 36 HD2 HIS 36 15.385 15.106 -11.657
234 HE1 HIS 36 HE1 HIS 36 11.510 16.796 -11.637
235 HA PRO 37 HA PRO 37 18.462 14.156 -17.836
236 HB2 PRO 37 HB2 PRO 37 17.678 12.362 -19.678
237 HB3 PRO 37 HB3 PRO 37 18.208 11.870 -18.065
238 HG2 PRO 37 HG2 PRO 37 15.433 12.146 -19.143
239 HG3 PRO 37 HG3 PRO 37 16.108 10.883 -18.098
240 HD2 PRO 37 HD2 PRO 37 14.597 12.989 -17.187
241 HD3 PRO 37 HD3 PRO 37 15.787 12.121 -16.198
242 H ASN 38 H ASN 38 15.140 14.661 -18.814
243 HA ASN 38 HA ASN 38 16.053 16.018 -21.257
244 HB2 ASN 38 HB2 ASN 38 13.360 14.908 -20.466
245 HB3 ASN 38 HB3 ASN 38 13.572 15.970 -21.851
246 HD21 ASN 38 HD21 ASN 38 16.134 14.908 -22.627
247 HD22 ASN 38 HD22 ASN 38 15.842 13.343 -23.296
248 H GLY 39 H GLY 39 14.982 16.590 -18.133
249 HA2 GLY 39 HA2 GLY 39 14.924 18.728 -17.129
250 HA3 GLY 39 HA3 GLY 39 14.711 19.444 -18.724
251 H GLU 40 H GLU 40 12.896 16.694 -17.785
252 HA GLU 40 HA GLU 40 10.432 18.090 -18.189
253 HB2 GLU 40 HB2 GLU 40 9.396 15.873 -17.731
254 HB3 GLU 40 HB3 GLU 40 10.598 15.831 -19.010
255 HG2 GLU 40 HG2 GLU 40 11.317 15.093 -16.195
256 HG3 GLU 40 HG3 GLU 40 10.549 13.932 -17.272
257 HA PRO 41 HA PRO 41 9.773 18.992 -13.914
258 HB2 PRO 41 HB2 PRO 41 7.294 19.957 -14.054
259 HB3 PRO 41 HB3 PRO 41 8.646 20.806 -14.816
260 HG2 PRO 41 HG2 PRO 41 6.566 19.055 -16.060
261 HG3 PRO 41 HG3 PRO 41 7.259 20.572 -16.659
262 HD2 PRO 41 HD2 PRO 41 8.049 18.040 -17.471
263 HD3 PRO 41 HD3 PRO 41 9.034 19.508 -17.620
264 H CYS 42 H CYS 42 8.461 18.396 -12.118
265 HA CYS 42 HA CYS 42 7.125 15.814 -12.436
266 HB2 CYS 42 HB2 CYS 42 7.512 15.636 -9.969
267 HB3 CYS 42 HB3 CYS 42 8.997 15.801 -10.899
268 HA PRO 43 HA PRO 43 3.164 17.567 -11.375
269 HB2 PRO 43 HB2 PRO 43 2.059 15.643 -9.816
270 HB3 PRO 43 HB3 PRO 43 2.293 15.445 -11.558
271 HG2 PRO 43 HG2 PRO 43 4.009 14.466 -9.299
272 HG3 PRO 43 HG3 PRO 43 3.449 13.586 -10.736
273 HD2 PRO 43 HD2 PRO 43 5.925 14.610 -10.610
274 HD3 PRO 43 HD3 PRO 43 4.995 14.603 -12.120
275 H ALA 44 H ALA 44 5.427 18.281 -9.516
276 HA ALA 44 HA ALA 44 4.283 18.305 -6.876
277 HB1 ALA 44 HB1 ALA 44 6.702 18.183 -7.164
278 HB2 ALA 44 HB2 ALA 44 6.258 19.647 -6.286
279 HB3 ALA 44 HB3 ALA 44 6.693 19.738 -7.993
280 HA PRO 45 HA PRO 45 1.718 21.879 -7.154
281 HB2 PRO 45 HB2 PRO 45 2.331 23.003 -4.663
282 HB3 PRO 45 HB3 PRO 45 1.073 21.805 -4.979
283 HG2 PRO 45 HG2 PRO 45 3.821 21.428 -3.905
284 HG3 PRO 45 HG3 PRO 45 2.332 20.553 -3.519
285 HD2 PRO 45 HD2 PRO 45 4.247 19.490 -5.075
286 HD3 PRO 45 HD3 PRO 45 2.525 19.163 -5.353
287 H ASP 46 H ASP 46 4.582 22.943 -5.274
288 HA ASP 46 HA ASP 46 4.763 25.249 -7.095
289 HB2 ASP 46 HB2 ASP 46 5.984 24.772 -4.367
290 HB3 ASP 46 HB3 ASP 46 6.310 26.187 -5.355
291 H CYS 47 H CYS 47 6.142 22.271 -6.448
292 HA CYS 47 HA CYS 47 7.975 21.154 -7.133
293 HB2 CYS 47 HB2 CYS 47 7.157 22.064 -9.340
294 HB3 CYS 47 HB3 CYS 47 8.331 23.361 -9.164
295 H HIS 48 H HIS 48 10.462 21.497 -7.663
296 HA HIS 48 HA HIS 48 11.638 23.803 -6.380
297 HB2 HIS 48 HB2 HIS 48 11.245 21.320 -4.905
298 HB3 HIS 48 HB3 HIS 48 12.929 21.821 -4.949
299 HD1 HIS 48 HD1 HIS 48 13.516 24.078 -3.768
300 HD2 HIS 48 HD2 HIS 48 9.576 22.855 -3.310
301 HE1 HIS 48 HE1 HIS 48 12.594 25.476 -1.902
302 HE2 HIS 48 HE2 HIS 48 10.170 24.831 -1.754
303 H CYS 49 H CYS 49 12.147 20.543 -7.664
304 HA CYS 49 HA CYS 49 14.930 20.902 -8.108
305 HB2 CYS 49 HB2 CYS 49 14.626 18.809 -9.504
306 HB3 CYS 49 HB3 CYS 49 14.173 18.693 -7.804
307 H GLU 50 H GLU 50 15.324 22.663 -9.346
308 HA GLU 50 HA GLU 50 14.286 22.648 -12.102
309 HB2 GLU 50 HB2 GLU 50 14.090 24.651 -10.387
310 HB3 GLU 50 HB3 GLU 50 15.746 24.956 -10.878
311 HG2 GLU 50 HG2 GLU 50 13.508 24.701 -12.844
312 HG3 GLU 50 HG3 GLU 50 13.923 26.223 -12.062
313 H ARG 51 H ARG 51 16.947 22.148 -10.125
314 HA ARG 51 HA ARG 51 19.023 22.730 -11.956
315 HB2 ARG 51 HB2 ARG 51 20.484 21.958 -10.266
316 HB3 ARG 51 HB3 ARG 51 19.184 22.774 -9.410
317 HG2 ARG 51 HG2 ARG 51 18.133 20.559 -9.002
318 HG3 ARG 51 HG3 ARG 51 19.547 19.804 -9.739
319 HD2 ARG 51 HD2 ARG 51 20.034 19.720 -7.473
320 HD3 ARG 51 HD3 ARG 51 20.883 21.168 -8.010
321 HE ARG 51 HE ARG 51 18.211 21.320 -6.780
322 HH11 ARG 51 HH11 ARG 51 21.575 22.326 -6.893
323 HH12 ARG 51 HH12 ARG 51 21.404 23.458 -5.597
324 HH21 ARG 51 HH21 ARG 51 18.004 22.784 -5.054
325 HH22 ARG 51 HH22 ARG 51 19.369 23.729 -4.552
326 H SER 52 H SER 52 20.495 21.022 -12.599
327 HA SER 52 HA SER 52 21.000 19.173 -13.612
328 HB2 SER 52 HB2 SER 52 18.794 17.890 -12.002
329 HB3 SER 52 HB3 SER 52 20.053 17.018 -12.876
330 HG SER 52 HG SER 52 21.217 17.242 -11.164
Start of MODEL 14
1 HA ASN 1 HA ASN 1 5.770 5.688 5.875
2 HB2 ASN 1 HB2 ASN 1 4.431 4.213 7.447
3 HB3 ASN 1 HB3 ASN 1 3.026 4.527 6.438
4 HD21 ASN 1 HD21 ASN 1 2.768 2.411 5.821
5 HD22 ASN 1 HD22 ASN 1 3.868 1.599 4.759
6 H GLU 2 H GLU 2 4.019 8.158 5.404
7 HA GLU 2 HA GLU 2 2.460 7.520 3.090
8 HB2 GLU 2 HB2 GLU 2 3.464 10.191 4.077
9 HB3 GLU 2 HB3 GLU 2 2.249 9.956 2.828
10 HG2 GLU 2 HG2 GLU 2 0.767 8.914 4.450
11 HG3 GLU 2 HG3 GLU 2 1.989 9.108 5.704
12 H LEU 3 H LEU 3 3.287 6.984 1.228
13 HA LEU 3 HA LEU 3 5.973 6.956 0.574
14 HB2 LEU 3 HB2 LEU 3 4.100 5.626 -0.433
15 HB3 LEU 3 HB3 LEU 3 3.692 7.037 -1.384
16 HG LEU 3 HG LEU 3 5.829 6.921 -2.539
17 HD11 LEU 3 HD11 LEU 3 6.350 4.523 -0.785
18 HD12 LEU 3 HD12 LEU 3 7.224 6.056 -0.752
19 HD13 LEU 3 HD13 LEU 3 7.333 5.009 -2.166
20 HD21 LEU 3 HD21 LEU 3 4.402 4.268 -2.436
21 HD22 LEU 3 HD22 LEU 3 5.475 4.810 -3.726
22 HD23 LEU 3 HD23 LEU 3 3.953 5.652 -3.431
23 H ARG 4 H ARG 4 7.321 8.557 0.228
24 HA ARG 4 HA ARG 4 6.346 10.992 -1.102
25 HB2 ARG 4 HB2 ARG 4 7.865 12.324 0.121
26 HB3 ARG 4 HB3 ARG 4 7.178 11.226 1.303
27 HG2 ARG 4 HG2 ARG 4 9.864 10.835 -0.015
28 HG3 ARG 4 HG3 ARG 4 9.622 11.615 1.546
29 HD2 ARG 4 HD2 ARG 4 8.894 8.772 0.845
30 HD3 ARG 4 HD3 ARG 4 10.284 9.277 1.801
31 HE ARG 4 HE ARG 4 8.038 10.328 3.039
32 HH11 ARG 4 HH11 ARG 4 9.329 7.167 2.285
33 HH12 ARG 4 HH12 ARG 4 8.603 6.398 3.648
34 HH21 ARG 4 HH21 ARG 4 7.066 9.313 4.856
35 HH22 ARG 4 HH22 ARG 4 7.331 7.627 5.137
36 H CYS 5 H CYS 5 8.130 12.174 -2.313
37 HA CYS 5 HA CYS 5 9.122 10.343 -4.258
38 HB2 CYS 5 HB2 CYS 5 8.246 12.604 -4.783
39 HB3 CYS 5 HB3 CYS 5 9.683 13.298 -4.041
40 H GLY 6 H GLY 6 11.270 10.069 -4.952
41 HA2 GLY 6 HA2 GLY 6 13.115 9.734 -2.789
42 HA3 GLY 6 HA3 GLY 6 13.375 9.350 -4.484
43 H CYS 7 H CYS 7 12.641 12.115 -5.247
44 HA CYS 7 HA CYS 7 15.199 13.193 -5.415
45 HB2 CYS 7 HB2 CYS 7 12.691 13.858 -6.408
46 HB3 CYS 7 HB3 CYS 7 13.109 15.231 -5.391
47 HA PRO 8 HA PRO 8 15.466 14.478 -1.120
48 HB2 PRO 8 HB2 PRO 8 18.100 15.101 -1.146
49 HB3 PRO 8 HB3 PRO 8 17.518 13.433 -1.082
50 HG2 PRO 8 HG2 PRO 8 18.520 15.002 -3.423
51 HG3 PRO 8 HG3 PRO 8 18.837 13.313 -2.991
52 HD2 PRO 8 HD2 PRO 8 17.018 14.060 -4.884
53 HD3 PRO 8 HD3 PRO 8 16.862 12.575 -3.920
54 H ASP 9 H ASP 9 16.140 16.341 -3.932
55 HA ASP 9 HA ASP 9 16.473 18.799 -2.392
56 HB2 ASP 9 HB2 ASP 9 17.982 18.477 -4.281
57 HB3 ASP 9 HB3 ASP 9 16.613 18.283 -5.371
58 H CYS 10 H CYS 10 14.006 17.011 -3.859
59 HA CYS 10 HA CYS 10 12.311 19.406 -3.976
60 HB2 CYS 10 HB2 CYS 10 12.852 18.411 -6.212
61 HB3 CYS 10 HB3 CYS 10 12.000 16.957 -5.706
62 H HIS 11 H HIS 11 10.041 19.043 -3.556
63 HA HIS 11 HA HIS 11 9.576 16.709 -1.840
64 HB2 HIS 11 HB2 HIS 11 9.746 18.712 -0.457
65 HB3 HIS 11 HB3 HIS 11 8.537 19.523 -1.444
66 HD2 HIS 11 HD2 HIS 11 8.574 16.280 0.845
67 HE1 HIS 11 HE1 HIS 11 4.777 18.155 1.049
68 HE2 HIS 11 HE2 HIS 11 6.122 16.121 1.646
69 H CYS 12 H CYS 12 8.512 15.457 -3.307
70 HA CYS 12 HA CYS 12 6.047 16.579 -4.466
71 HB2 CYS 12 HB2 CYS 12 7.185 14.024 -5.461
72 HB3 CYS 12 HB3 CYS 12 6.326 15.282 -6.331
73 H LYS 13 H LYS 13 4.225 15.175 -4.545
74 HA LYS 13 HA LYS 13 4.197 13.239 -2.373
75 HB2 LYS 13 HB2 LYS 13 1.723 13.324 -2.612
76 HB3 LYS 13 HB3 LYS 13 2.425 14.887 -2.255
77 HG2 LYS 13 HG2 LYS 13 0.905 15.472 -3.867
78 HG3 LYS 13 HG3 LYS 13 2.327 15.191 -4.862
79 HD2 LYS 13 HD2 LYS 13 0.336 14.167 -5.853
80 HD3 LYS 13 HD3 LYS 13 1.517 12.941 -5.396
81 HE2 LYS 13 HE2 LYS 13 -0.817 12.330 -4.822
82 HE3 LYS 13 HE3 LYS 13 0.249 12.380 -3.424
83 HZ1 LYS 13 HZ1 LYS 13 -1.601 14.564 -4.225
84 HZ2 LYS 13 HZ2 LYS 13 -0.652 14.517 -2.825
85 HZ3 LYS 13 HZ3 LYS 13 -1.917 13.423 -3.021
86 H VAL 14 H VAL 14 3.784 11.092 -2.731
87 HA VAL 14 HA VAL 14 3.821 10.317 -5.562
88 HB VAL 14 HB VAL 14 5.003 8.846 -3.198
89 HG11 VAL 14 HG11 VAL 14 5.066 8.147 -6.130
90 HG12 VAL 14 HG12 VAL 14 4.115 7.322 -4.894
91 HG13 VAL 14 HG13 VAL 14 5.875 7.274 -4.827
92 HG21 VAL 14 HG21 VAL 14 6.292 10.794 -3.848
93 HG22 VAL 14 HG22 VAL 14 6.305 10.243 -5.523
94 HG23 VAL 14 HG23 VAL 14 7.140 9.310 -4.280
95 H ASP 15 H ASP 15 2.462 8.771 -6.273
96 HA ASP 15 HA ASP 15 0.270 8.077 -4.469
97 HB2 ASP 15 HB2 ASP 15 -0.069 9.184 -6.784
98 HB3 ASP 15 HB3 ASP 15 0.352 7.611 -7.432
99 HA PRO 16 HA PRO 16 1.865 3.928 -4.174
100 HB2 PRO 16 HB2 PRO 16 -0.982 3.185 -3.788
101 HB3 PRO 16 HB3 PRO 16 0.411 2.877 -2.745
102 HG2 PRO 16 HG2 PRO 16 -1.402 4.718 -2.093
103 HG3 PRO 16 HG3 PRO 16 0.324 4.978 -1.779
104 HD2 PRO 16 HD2 PRO 16 -1.400 6.097 -3.951
105 HD3 PRO 16 HD3 PRO 16 -0.115 6.879 -3.004
106 H GLU 17 H GLU 17 -0.679 4.911 -6.326
107 HA GLU 17 HA GLU 17 -0.521 2.409 -7.828
108 HB2 GLU 17 HB2 GLU 17 -2.705 3.597 -7.293
109 HB3 GLU 17 HB3 GLU 17 -2.216 4.818 -8.453
110 HG2 GLU 17 HG2 GLU 17 -3.695 3.304 -9.530
111 HG3 GLU 17 HG3 GLU 17 -2.073 3.041 -10.171
112 H ARG 18 H ARG 18 0.559 5.694 -7.894
113 HA ARG 18 HA ARG 18 1.689 5.277 -10.567
114 HB2 ARG 18 HB2 ARG 18 0.646 7.907 -9.493
115 HB3 ARG 18 HB3 ARG 18 1.423 7.666 -11.047
116 HG2 ARG 18 HG2 ARG 18 -0.672 7.523 -11.813
117 HG3 ARG 18 HG3 ARG 18 -0.590 5.874 -11.194
118 HD2 ARG 18 HD2 ARG 18 -2.622 6.915 -10.437
119 HD3 ARG 18 HD3 ARG 18 -1.544 6.652 -9.067
120 HE ARG 18 HE ARG 18 -0.922 9.082 -9.381
121 HH11 ARG 18 HH11 ARG 18 -4.073 7.848 -10.314
122 HH12 ARG 18 HH12 ARG 18 -4.878 9.355 -10.049
123 HH21 ARG 18 HH21 ARG 18 -1.976 11.059 -9.019
124 HH22 ARG 18 HH22 ARG 18 -3.679 11.198 -9.293
125 H VAL 19 H VAL 19 3.354 4.454 -9.115
126 HA VAL 19 HA VAL 19 5.168 6.630 -8.364
127 HB VAL 19 HB VAL 19 4.576 5.679 -6.288
128 HG11 VAL 19 HG11 VAL 19 4.950 2.965 -7.537
129 HG12 VAL 19 HG12 VAL 19 3.427 3.703 -7.031
130 HG13 VAL 19 HG13 VAL 19 4.639 3.259 -5.826
131 HG21 VAL 19 HG21 VAL 19 7.138 4.380 -7.189
132 HG22 VAL 19 HG22 VAL 19 6.616 4.526 -5.512
133 HG23 VAL 19 HG23 VAL 19 6.955 5.976 -6.460
134 H PHE 20 H PHE 20 7.153 6.569 -9.187
135 HA PHE 20 HA PHE 20 7.865 4.267 -10.848
136 HB2 PHE 20 HB2 PHE 20 8.690 7.152 -10.867
137 HB3 PHE 20 HB3 PHE 20 9.697 5.935 -11.635
138 HD1 PHE 20 HD1 PHE 20 6.500 7.661 -11.714
139 HD2 PHE 20 HD2 PHE 20 9.015 4.873 -13.679
140 HE1 PHE 20 HE1 PHE 20 5.087 7.821 -13.724
141 HE2 PHE 20 HE2 PHE 20 7.618 5.018 -15.699
142 HZ PHE 20 HZ PHE 20 5.648 6.495 -15.725
143 H ASN 21 H ASN 21 9.210 2.866 -9.993
144 HA ASN 21 HA ASN 21 10.854 3.708 -7.745
145 HB2 ASN 21 HB2 ASN 21 11.259 1.311 -7.366
146 HB3 ASN 21 HB3 ASN 21 9.541 1.686 -7.396
147 HD21 ASN 21 HD21 ASN 21 12.167 0.134 -9.054
148 HD22 ASN 21 HD22 ASN 21 11.198 -0.789 -10.147
149 H HIS 22 H HIS 22 13.009 3.664 -7.726
150 HA HIS 22 HA HIS 22 14.532 2.531 -9.878
151 HB2 HIS 22 HB2 HIS 22 13.975 4.572 -11.008
152 HB3 HIS 22 HB3 HIS 22 14.277 5.536 -9.573
153 HD2 HIS 22 HD2 HIS 22 16.921 6.324 -9.213
154 HE1 HIS 22 HE1 HIS 22 18.445 4.466 -12.699
155 HE2 HIS 22 HE2 HIS 22 18.881 6.141 -10.887
156 H ASP 23 H ASP 23 16.398 1.833 -9.073
157 HA ASP 23 HA ASP 23 18.195 1.518 -7.718
158 HB2 ASP 23 HB2 ASP 23 18.652 3.903 -8.265
159 HB3 ASP 23 HB3 ASP 23 17.709 4.390 -6.866
160 H GLY 24 H GLY 24 15.325 1.218 -6.795
161 HA2 GLY 24 HA2 GLY 24 14.541 0.083 -4.904
162 HA3 GLY 24 HA3 GLY 24 15.980 0.590 -4.031
163 H GLU 25 H GLU 25 14.954 3.296 -5.487
164 HA GLU 25 HA GLU 25 13.458 4.142 -3.111
165 HB2 GLU 25 HB2 GLU 25 15.572 5.360 -3.696
166 HB3 GLU 25 HB3 GLU 25 14.818 5.820 -5.215
167 HG2 GLU 25 HG2 GLU 25 14.798 7.609 -3.519
168 HG3 GLU 25 HG3 GLU 25 13.198 7.160 -4.103
169 H ALA 26 H ALA 26 11.696 5.643 -3.462
170 HA ALA 26 HA ALA 26 10.168 4.947 -5.886
171 HB1 ALA 26 HB1 ALA 26 9.172 4.171 -3.783
172 HB2 ALA 26 HB2 ALA 26 8.158 5.378 -4.572
173 HB3 ALA 26 HB3 ALA 26 9.150 5.829 -3.185
174 H TYR 27 H TYR 27 9.175 6.564 -7.066
175 HA TYR 27 HA TYR 27 9.713 9.339 -6.246
176 HB2 TYR 27 HB2 TYR 27 10.217 8.197 -8.998
177 HB3 TYR 27 HB3 TYR 27 10.367 9.890 -8.551
178 HD1 TYR 27 HD1 TYR 27 11.884 6.556 -8.279
179 HD2 TYR 27 HD2 TYR 27 12.290 10.675 -7.308
180 HE1 TYR 27 HE1 TYR 27 14.252 6.190 -7.731
181 HE2 TYR 27 HE2 TYR 27 14.657 10.318 -6.764
182 HH TYR 27 HH TYR 27 16.126 8.466 -6.067
183 H CYS 28 H CYS 28 8.389 10.922 -7.397
184 HA CYS 28 HA CYS 28 5.671 10.100 -7.534
185 HB2 CYS 28 HB2 CYS 28 5.261 12.460 -8.211
186 HB3 CYS 28 HB3 CYS 28 6.231 12.316 -6.749
187 H SER 29 H SER 29 8.086 10.976 -9.939
188 HA SER 29 HA SER 29 6.580 9.566 -11.961
189 HB2 SER 29 HB2 SER 29 5.771 11.970 -11.977
190 HB3 SER 29 HB3 SER 29 7.402 12.432 -12.457
191 HG SER 29 HG SER 29 5.401 11.171 -13.908
192 H GLN 30 H GLN 30 7.989 9.975 -14.163
193 HA GLN 30 HA GLN 30 10.411 8.665 -13.519
194 HB2 GLN 30 HB2 GLN 30 10.858 8.606 -15.934
195 HB3 GLN 30 HB3 GLN 30 9.245 8.051 -15.537
196 HG2 GLN 30 HG2 GLN 30 8.737 9.335 -17.329
197 HG3 GLN 30 HG3 GLN 30 8.659 10.578 -16.084
198 HE21 GLN 30 HE21 GLN 30 10.114 12.241 -16.134
199 HE22 GLN 30 HE22 GLN 30 11.304 12.455 -17.377
200 H ALA 31 H ALA 31 9.630 11.970 -13.862
201 HA ALA 31 HA ALA 31 12.041 13.032 -14.791
202 HB1 ALA 31 HB1 ALA 31 10.042 14.392 -14.559
203 HB2 ALA 31 HB2 ALA 31 11.372 15.107 -13.647
204 HB3 ALA 31 HB3 ALA 31 10.102 14.217 -12.805
205 H CYS 32 H CYS 32 11.003 12.804 -11.382
206 HA CYS 32 HA CYS 32 13.596 13.386 -10.409
207 HB2 CYS 32 HB2 CYS 32 11.235 12.124 -8.998
208 HB3 CYS 32 HB3 CYS 32 12.667 12.773 -8.206
209 H ALA 33 H ALA 33 11.965 10.473 -11.292
210 HA ALA 33 HA ALA 33 13.491 8.615 -9.804
211 HB1 ALA 33 HB1 ALA 33 11.302 8.096 -10.823
212 HB2 ALA 33 HB2 ALA 33 12.545 6.918 -11.245
213 HB3 ALA 33 HB3 ALA 33 12.058 8.143 -12.416
214 H GLU 34 H GLU 34 13.730 9.733 -13.116
215 HA GLU 34 HA GLU 34 16.129 8.192 -13.627
216 HB2 GLU 34 HB2 GLU 34 14.468 10.069 -15.290
217 HB3 GLU 34 HB3 GLU 34 15.969 9.367 -15.874
218 HG2 GLU 34 HG2 GLU 34 13.674 7.709 -14.883
219 HG3 GLU 34 HG3 GLU 34 13.836 8.220 -16.564
220 H GLN 35 H GLN 35 15.761 10.786 -11.839
221 HA GLN 35 HA GLN 35 17.052 12.504 -11.150
222 HB2 GLN 35 HB2 GLN 35 19.104 10.976 -12.734
223 HB3 GLN 35 HB3 GLN 35 19.503 12.484 -11.924
224 HG2 GLN 35 HG2 GLN 35 18.827 11.512 -9.785
225 HG3 GLN 35 HG3 GLN 35 18.442 9.998 -10.602
226 HE21 GLN 35 HE21 GLN 35 19.936 8.921 -9.297
227 HE22 GLN 35 HE22 GLN 35 21.639 9.045 -9.567
228 H HIS 36 H HIS 36 15.448 12.648 -13.527
229 HA HIS 36 HA HIS 36 14.842 14.094 -15.136
230 HB2 HIS 36 HB2 HIS 36 16.776 16.016 -13.807
231 HB3 HIS 36 HB3 HIS 36 15.405 16.441 -14.829
232 HD1 HIS 36 HD1 HIS 36 13.283 16.978 -13.588
233 HD2 HIS 36 HD2 HIS 36 15.852 14.592 -11.341
234 HE1 HIS 36 HE1 HIS 36 12.186 16.713 -11.335
235 HA PRO 37 HA PRO 37 18.537 13.076 -17.643
236 HB2 PRO 37 HB2 PRO 37 17.250 11.638 -19.522
237 HB3 PRO 37 HB3 PRO 37 17.723 10.947 -17.966
238 HG2 PRO 37 HG2 PRO 37 15.054 11.949 -18.861
239 HG3 PRO 37 HG3 PRO 37 15.446 10.504 -17.911
240 HD2 PRO 37 HD2 PRO 37 14.542 12.846 -16.820
241 HD3 PRO 37 HD3 PRO 37 15.558 11.684 -15.947
242 H ASN 38 H ASN 38 15.377 14.298 -18.610
243 HA ASN 38 HA ASN 38 16.556 15.554 -20.991
244 HB2 ASN 38 HB2 ASN 38 14.379 14.311 -21.143
245 HB3 ASN 38 HB3 ASN 38 13.669 15.548 -20.107
246 HD21 ASN 38 HD21 ASN 38 15.172 14.922 -23.174
247 HD22 ASN 38 HD22 ASN 38 14.577 16.326 -23.973
248 H GLY 39 H GLY 39 15.423 16.193 -17.819
249 HA2 GLY 39 HA2 GLY 39 16.070 18.182 -16.651
250 HA3 GLY 39 HA3 GLY 39 16.046 19.045 -18.188
251 H GLU 40 H GLU 40 13.588 16.789 -17.465
252 HA GLU 40 HA GLU 40 11.577 18.827 -17.676
253 HB2 GLU 40 HB2 GLU 40 10.004 16.952 -17.630
254 HB3 GLU 40 HB3 GLU 40 11.286 16.666 -18.797
255 HG2 GLU 40 HG2 GLU 40 11.539 15.554 -16.036
256 HG3 GLU 40 HG3 GLU 40 10.483 14.758 -17.196
257 HA PRO 41 HA PRO 41 10.952 19.126 -13.270
258 HB2 PRO 41 HB2 PRO 41 8.661 20.530 -13.277
259 HB3 PRO 41 HB3 PRO 41 10.192 21.268 -13.762
260 HG2 PRO 41 HG2 PRO 41 7.974 20.222 -15.464
261 HG3 PRO 41 HG3 PRO 41 8.939 21.696 -15.662
262 HD2 PRO 41 HD2 PRO 41 9.393 19.360 -17.037
263 HD3 PRO 41 HD3 PRO 41 10.641 20.580 -16.712
264 H CYS 42 H CYS 42 9.617 18.185 -11.695
265 HA CYS 42 HA CYS 42 8.104 15.912 -12.626
266 HB2 CYS 42 HB2 CYS 42 8.025 15.417 -10.164
267 HB3 CYS 42 HB3 CYS 42 9.649 15.602 -10.817
268 HA PRO 43 HA PRO 43 4.053 17.651 -11.953
269 HB2 PRO 43 HB2 PRO 43 2.618 15.591 -10.994
270 HB3 PRO 43 HB3 PRO 43 3.246 15.598 -12.647
271 HG2 PRO 43 HG2 PRO 43 4.340 14.241 -10.214
272 HG3 PRO 43 HG3 PRO 43 4.152 13.605 -11.859
273 HD2 PRO 43 HD2 PRO 43 6.510 14.540 -10.889
274 HD3 PRO 43 HD3 PRO 43 6.071 14.623 -12.605
275 H ALA 44 H ALA 44 5.907 18.093 -9.722
276 HA ALA 44 HA ALA 44 4.120 17.916 -7.417
277 HB1 ALA 44 HB1 ALA 44 6.044 18.560 -6.082
278 HB2 ALA 44 HB2 ALA 44 7.007 18.779 -7.543
279 HB3 ALA 44 HB3 ALA 44 6.435 17.172 -7.097
280 HA PRO 45 HA PRO 45 2.897 22.155 -8.120
281 HB2 PRO 45 HB2 PRO 45 1.780 22.558 -5.656
282 HB3 PRO 45 HB3 PRO 45 0.968 21.680 -6.959
283 HG2 PRO 45 HG2 PRO 45 2.548 20.600 -4.652
284 HG3 PRO 45 HG3 PRO 45 0.966 20.064 -5.262
285 HD2 PRO 45 HD2 PRO 45 3.191 18.743 -5.869
286 HD3 PRO 45 HD3 PRO 45 1.918 18.978 -7.087
287 H ASP 46 H ASP 46 4.712 21.078 -5.298
288 HA ASP 46 HA ASP 46 5.830 23.785 -5.015
289 HB2 ASP 46 HB2 ASP 46 4.710 22.764 -3.001
290 HB3 ASP 46 HB3 ASP 46 5.951 21.517 -3.008
291 H CYS 47 H CYS 47 6.566 21.895 -7.049
292 HA CYS 47 HA CYS 47 8.861 20.424 -6.631
293 HB2 CYS 47 HB2 CYS 47 7.801 20.286 -8.752
294 HB3 CYS 47 HB3 CYS 47 7.990 22.013 -9.035
295 H HIS 48 H HIS 48 10.979 20.798 -6.511
296 HA HIS 48 HA HIS 48 11.838 23.615 -6.377
297 HB2 HIS 48 HB2 HIS 48 11.944 22.303 -4.238
298 HB3 HIS 48 HB3 HIS 48 13.123 21.248 -5.006
299 HD1 HIS 48 HD1 HIS 48 15.532 22.071 -5.155
300 HD2 HIS 48 HD2 HIS 48 12.880 24.930 -3.688
301 HE1 HIS 48 HE1 HIS 48 16.955 23.951 -4.292
302 HE2 HIS 48 HE2 HIS 48 15.340 25.684 -3.453
303 H CYS 49 H CYS 49 12.313 20.544 -7.869
304 HA CYS 49 HA CYS 49 14.903 21.302 -8.977
305 HB2 CYS 49 HB2 CYS 49 14.822 18.944 -9.877
306 HB3 CYS 49 HB3 CYS 49 14.852 19.089 -8.122
307 H GLU 50 H GLU 50 12.334 22.558 -9.744
308 HA GLU 50 HA GLU 50 11.324 21.762 -12.188
309 HB2 GLU 50 HB2 GLU 50 10.422 23.586 -10.734
310 HB3 GLU 50 HB3 GLU 50 11.747 24.612 -11.250
311 HG2 GLU 50 HG2 GLU 50 9.922 23.438 -13.298
312 HG3 GLU 50 HG3 GLU 50 9.385 24.816 -12.343
313 H ARG 51 H ARG 51 14.112 23.785 -11.487
314 HA ARG 51 HA ARG 51 14.839 23.881 -14.286
315 HB2 ARG 51 HB2 ARG 51 16.837 25.166 -13.351
316 HB3 ARG 51 HB3 ARG 51 15.260 25.924 -13.184
317 HG2 ARG 51 HG2 ARG 51 15.142 25.318 -10.869
318 HG3 ARG 51 HG3 ARG 51 16.606 24.342 -11.006
319 HD2 ARG 51 HD2 ARG 51 17.944 26.276 -11.382
320 HD3 ARG 51 HD3 ARG 51 16.519 27.299 -11.538
321 HE ARG 51 HE ARG 51 16.339 27.383 -9.254
322 HH11 ARG 51 HH11 ARG 51 18.681 24.897 -10.092
323 HH12 ARG 51 HH12 ARG 51 19.338 24.808 -8.497
324 HH21 ARG 51 HH21 ARG 51 17.222 27.245 -7.135
325 HH22 ARG 51 HH22 ARG 51 18.510 26.130 -6.824
326 H SER 52 H SER 52 15.977 22.320 -15.157
327 HA SER 52 HA SER 52 18.271 21.197 -13.969
328 HB2 SER 52 HB2 SER 52 17.351 18.805 -13.910
329 HB3 SER 52 HB3 SER 52 16.861 19.876 -12.597
330 HG SER 52 HG SER 52 14.860 19.901 -13.328
Start of MODEL 15
1 HA ASN 1 HA ASN 1 0.715 8.516 2.980
2 HB2 ASN 1 HB2 ASN 1 1.639 9.045 0.147
3 HB3 ASN 1 HB3 ASN 1 1.881 7.520 0.987
4 HD21 ASN 1 HD21 ASN 1 -0.389 9.591 -0.584
5 HD22 ASN 1 HD22 ASN 1 -1.710 8.477 -0.609
6 H GLU 2 H GLU 2 2.746 7.483 3.428
7 HA GLU 2 HA GLU 2 4.728 9.369 4.307
8 HB2 GLU 2 HB2 GLU 2 4.622 6.355 4.433
9 HB3 GLU 2 HB3 GLU 2 5.903 7.326 5.144
10 HG2 GLU 2 HG2 GLU 2 2.989 7.423 5.879
11 HG3 GLU 2 HG3 GLU 2 4.278 6.659 6.810
12 H LEU 3 H LEU 3 4.225 7.466 1.543
13 HA LEU 3 HA LEU 3 6.907 7.068 0.740
14 HB2 LEU 3 HB2 LEU 3 4.859 5.846 -0.095
15 HB3 LEU 3 HB3 LEU 3 4.488 7.270 -1.043
16 HG LEU 3 HG LEU 3 6.515 6.983 -2.349
17 HD11 LEU 3 HD11 LEU 3 7.023 4.590 -0.582
18 HD12 LEU 3 HD12 LEU 3 7.979 6.072 -0.635
19 HD13 LEU 3 HD13 LEU 3 7.934 5.001 -2.034
20 HD21 LEU 3 HD21 LEU 3 4.488 5.798 -3.045
21 HD22 LEU 3 HD22 LEU 3 4.977 4.404 -2.082
22 HD23 LEU 3 HD23 LEU 3 5.944 4.899 -3.470
23 H ARG 4 H ARG 4 8.311 8.495 0.031
24 HA ARG 4 HA ARG 4 7.327 11.096 -0.917
25 HB2 ARG 4 HB2 ARG 4 9.479 12.056 -0.116
26 HB3 ARG 4 HB3 ARG 4 8.481 11.407 1.174
27 HG2 ARG 4 HG2 ARG 4 10.654 9.745 -0.044
28 HG3 ARG 4 HG3 ARG 4 11.024 10.954 1.186
29 HD2 ARG 4 HD2 ARG 4 9.583 9.880 2.766
30 HD3 ARG 4 HD3 ARG 4 8.969 8.777 1.542
31 HE ARG 4 HE ARG 4 11.705 8.390 1.655
32 HH11 ARG 4 HH11 ARG 4 8.948 8.058 3.788
33 HH12 ARG 4 HH12 ARG 4 9.655 6.788 4.722
34 HH21 ARG 4 HH21 ARG 4 12.650 6.691 2.893
35 HH22 ARG 4 HH22 ARG 4 11.764 6.013 4.213
36 H CYS 5 H CYS 5 8.890 12.236 -2.364
37 HA CYS 5 HA CYS 5 9.590 10.421 -4.490
38 HB2 CYS 5 HB2 CYS 5 8.390 12.634 -4.781
39 HB3 CYS 5 HB3 CYS 5 9.929 13.417 -4.451
40 H GLY 6 H GLY 6 11.624 10.206 -5.397
41 HA2 GLY 6 HA2 GLY 6 13.815 10.062 -3.666
42 HA3 GLY 6 HA3 GLY 6 13.902 9.979 -5.419
43 H CYS 7 H CYS 7 12.897 12.592 -5.936
44 HA CYS 7 HA CYS 7 15.199 14.149 -5.768
45 HB2 CYS 7 HB2 CYS 7 12.391 14.538 -6.533
46 HB3 CYS 7 HB3 CYS 7 13.175 16.003 -5.960
47 HA PRO 8 HA PRO 8 14.765 14.892 -1.376
48 HB2 PRO 8 HB2 PRO 8 17.246 15.804 -0.936
49 HB3 PRO 8 HB3 PRO 8 16.912 14.096 -1.238
50 HG2 PRO 8 HG2 PRO 8 17.980 16.172 -3.098
51 HG3 PRO 8 HG3 PRO 8 18.451 14.473 -2.919
52 HD2 PRO 8 HD2 PRO 8 16.774 15.423 -4.889
53 HD3 PRO 8 HD3 PRO 8 16.785 13.745 -4.305
54 H ASP 9 H ASP 9 15.631 17.288 -3.760
55 HA ASP 9 HA ASP 9 15.234 19.408 -1.780
56 HB2 ASP 9 HB2 ASP 9 16.247 20.924 -3.369
57 HB3 ASP 9 HB3 ASP 9 17.281 19.520 -3.169
58 H CYS 10 H CYS 10 13.357 17.624 -3.568
59 HA CYS 10 HA CYS 10 11.443 19.794 -4.040
60 HB2 CYS 10 HB2 CYS 10 12.363 18.903 -6.206
61 HB3 CYS 10 HB3 CYS 10 11.747 17.316 -5.764
62 H HIS 11 H HIS 11 9.275 19.227 -3.573
63 HA HIS 11 HA HIS 11 9.014 16.725 -2.057
64 HB2 HIS 11 HB2 HIS 11 8.904 18.686 -0.583
65 HB3 HIS 11 HB3 HIS 11 7.603 19.356 -1.558
66 HD2 HIS 11 HD2 HIS 11 5.078 18.213 -1.125
67 HE1 HIS 11 HE1 HIS 11 6.275 15.777 2.129
68 HE2 HIS 11 HE2 HIS 11 4.342 16.881 0.957
69 H CYS 12 H CYS 12 8.048 15.380 -3.433
70 HA CYS 12 HA CYS 12 5.647 16.344 -4.829
71 HB2 CYS 12 HB2 CYS 12 7.150 13.847 -5.533
72 HB3 CYS 12 HB3 CYS 12 6.045 14.780 -6.527
73 H LYS 13 H LYS 13 3.748 15.293 -4.513
74 HA LYS 13 HA LYS 13 3.632 13.349 -2.421
75 HB2 LYS 13 HB2 LYS 13 1.101 13.343 -3.263
76 HB3 LYS 13 HB3 LYS 13 1.746 14.607 -2.239
77 HG2 LYS 13 HG2 LYS 13 0.486 15.706 -3.888
78 HG3 LYS 13 HG3 LYS 13 2.170 15.938 -4.339
79 HD2 LYS 13 HD2 LYS 13 0.806 15.428 -6.297
80 HD3 LYS 13 HD3 LYS 13 1.968 14.138 -5.996
81 HE2 LYS 13 HE2 LYS 13 -0.253 13.267 -6.589
82 HE3 LYS 13 HE3 LYS 13 0.237 12.778 -4.970
83 HZ1 LYS 13 HZ1 LYS 13 -2.038 13.459 -4.957
84 HZ2 LYS 13 HZ2 LYS 13 -1.670 14.948 -5.663
85 HZ3 LYS 13 HZ3 LYS 13 -1.145 14.601 -4.092
86 H VAL 14 H VAL 14 3.978 11.315 -2.686
87 HA VAL 14 HA VAL 14 3.828 10.186 -5.388
88 HB VAL 14 HB VAL 14 5.253 9.083 -2.958
89 HG11 VAL 14 HG11 VAL 14 6.383 7.619 -4.542
90 HG12 VAL 14 HG12 VAL 14 5.429 8.296 -5.863
91 HG13 VAL 14 HG13 VAL 14 4.637 7.371 -4.587
92 HG21 VAL 14 HG21 VAL 14 6.224 11.195 -3.669
93 HG22 VAL 14 HG22 VAL 14 6.344 10.595 -5.323
94 HG23 VAL 14 HG23 VAL 14 7.304 9.852 -4.045
95 H ASP 15 H ASP 15 2.680 8.381 -5.857
96 HA ASP 15 HA ASP 15 0.691 7.544 -3.883
97 HB2 ASP 15 HB2 ASP 15 -0.007 8.273 -6.181
98 HB3 ASP 15 HB3 ASP 15 0.845 6.872 -6.815
99 HA PRO 16 HA PRO 16 3.071 3.877 -3.103
100 HB2 PRO 16 HB2 PRO 16 0.508 2.676 -2.252
101 HB3 PRO 16 HB3 PRO 16 2.000 2.904 -1.335
102 HG2 PRO 16 HG2 PRO 16 -0.157 4.409 -0.862
103 HG3 PRO 16 HG3 PRO 16 1.479 5.085 -0.772
104 HD2 PRO 16 HD2 PRO 16 -0.560 5.341 -2.950
105 HD3 PRO 16 HD3 PRO 16 0.547 6.562 -2.282
106 H GLU 17 H GLU 17 0.210 3.828 -5.109
107 HA GLU 17 HA GLU 17 0.959 1.157 -6.078
108 HB2 GLU 17 HB2 GLU 17 -1.405 1.636 -5.330
109 HB3 GLU 17 HB3 GLU 17 -1.547 2.710 -6.712
110 HG2 GLU 17 HG2 GLU 17 -1.134 0.844 -8.215
111 HG3 GLU 17 HG3 GLU 17 -0.962 -0.237 -6.833
112 H ARG 18 H ARG 18 0.875 4.476 -6.906
113 HA ARG 18 HA ARG 18 1.537 3.843 -9.720
114 HB2 ARG 18 HB2 ARG 18 0.260 6.328 -8.565
115 HB3 ARG 18 HB3 ARG 18 0.720 6.126 -10.249
116 HG2 ARG 18 HG2 ARG 18 -1.083 4.884 -10.724
117 HG3 ARG 18 HG3 ARG 18 -1.006 4.008 -9.192
118 HD2 ARG 18 HD2 ARG 18 -3.035 5.359 -9.343
119 HD3 ARG 18 HD3 ARG 18 -1.979 5.905 -8.040
120 HE ARG 18 HE ARG 18 -1.774 7.281 -10.603
121 HH11 ARG 18 HH11 ARG 18 -2.976 7.294 -7.297
122 HH12 ARG 18 HH12 ARG 18 -3.230 9.001 -7.261
123 HH21 ARG 18 HH21 ARG 18 -2.114 9.537 -10.559
124 HH22 ARG 18 HH22 ARG 18 -2.731 10.293 -9.131
125 H VAL 19 H VAL 19 3.480 3.683 -7.835
126 HA VAL 19 HA VAL 19 5.005 6.174 -7.990
127 HB VAL 19 HB VAL 19 4.912 5.394 -5.757
128 HG11 VAL 19 HG11 VAL 19 5.540 3.115 -5.081
129 HG12 VAL 19 HG12 VAL 19 5.729 2.677 -6.782
130 HG13 VAL 19 HG13 VAL 19 4.143 3.136 -6.157
131 HG21 VAL 19 HG21 VAL 19 7.248 4.783 -5.230
132 HG22 VAL 19 HG22 VAL 19 7.112 6.155 -6.329
133 HG23 VAL 19 HG23 VAL 19 7.548 4.563 -6.954
134 H PHE 20 H PHE 20 6.892 6.339 -9.067
135 HA PHE 20 HA PHE 20 7.713 4.076 -10.709
136 HB2 PHE 20 HB2 PHE 20 8.228 7.024 -10.803
137 HB3 PHE 20 HB3 PHE 20 9.363 5.932 -11.584
138 HD1 PHE 20 HD1 PHE 20 6.234 7.630 -11.840
139 HD2 PHE 20 HD2 PHE 20 8.475 4.359 -13.360
140 HE1 PHE 20 HE1 PHE 20 4.772 7.561 -13.817
141 HE2 PHE 20 HE2 PHE 20 7.024 4.280 -15.344
142 HZ PHE 20 HZ PHE 20 5.169 5.883 -15.575
143 H ASN 21 H ASN 21 9.194 2.765 -9.894
144 HA ASN 21 HA ASN 21 11.017 3.761 -7.851
145 HB2 ASN 21 HB2 ASN 21 9.930 1.624 -7.379
146 HB3 ASN 21 HB3 ASN 21 10.563 0.949 -8.877
147 HD21 ASN 21 HD21 ASN 21 12.749 0.398 -9.007
148 HD22 ASN 21 HD22 ASN 21 13.748 0.248 -7.607
149 H HIS 22 H HIS 22 12.962 4.387 -8.318
150 HA HIS 22 HA HIS 22 14.377 3.170 -10.549
151 HB2 HIS 22 HB2 HIS 22 13.278 5.161 -11.502
152 HB3 HIS 22 HB3 HIS 22 14.003 6.164 -10.256
153 HD2 HIS 22 HD2 HIS 22 16.821 6.555 -10.563
154 HE1 HIS 22 HE1 HIS 22 16.834 5.322 -14.617
155 HE2 HIS 22 HE2 HIS 22 18.177 6.340 -12.757
156 H ASP 23 H ASP 23 16.442 2.836 -10.068
157 HA ASP 23 HA ASP 23 18.385 2.738 -8.915
158 HB2 ASP 23 HB2 ASP 23 18.421 5.172 -9.610
159 HB3 ASP 23 HB3 ASP 23 17.775 5.567 -8.022
160 H GLY 24 H GLY 24 16.004 1.814 -7.673
161 HA2 GLY 24 HA2 GLY 24 15.439 0.854 -5.663
162 HA3 GLY 24 HA3 GLY 24 16.978 1.415 -5.032
163 H GLU 25 H GLU 25 15.072 3.904 -6.349
164 HA GLU 25 HA GLU 25 14.069 4.593 -3.679
165 HB2 GLU 25 HB2 GLU 25 16.020 5.970 -4.427
166 HB3 GLU 25 HB3 GLU 25 15.055 6.490 -5.798
167 HG2 GLU 25 HG2 GLU 25 15.163 8.135 -3.947
168 HG3 GLU 25 HG3 GLU 25 13.534 7.658 -4.417
169 H ALA 26 H ALA 26 12.198 5.976 -3.716
170 HA ALA 26 HA ALA 26 10.383 5.210 -5.892
171 HB1 ALA 26 HB1 ALA 26 9.674 4.526 -3.687
172 HB2 ALA 26 HB2 ALA 26 8.598 5.793 -4.280
173 HB3 ALA 26 HB3 ALA 26 9.838 6.176 -3.093
174 H TYR 27 H TYR 27 9.300 6.729 -7.081
175 HA TYR 27 HA TYR 27 9.776 9.554 -6.421
176 HB2 TYR 27 HB2 TYR 27 10.082 8.310 -9.158
177 HB3 TYR 27 HB3 TYR 27 10.134 10.032 -8.819
178 HD1 TYR 27 HD1 TYR 27 11.943 6.854 -8.574
179 HD2 TYR 27 HD2 TYR 27 12.111 11.043 -7.789
180 HE1 TYR 27 HE1 TYR 27 14.375 6.704 -8.286
181 HE2 TYR 27 HE2 TYR 27 14.542 10.889 -7.504
182 HH TYR 27 HH TYR 27 16.255 9.304 -7.027
183 H CYS 28 H CYS 28 8.260 11.024 -7.438
184 HA CYS 28 HA CYS 28 5.582 10.056 -7.343
185 HB2 CYS 28 HB2 CYS 28 4.957 12.333 -7.951
186 HB3 CYS 28 HB3 CYS 28 6.217 12.361 -6.721
187 H SER 29 H SER 29 7.783 10.981 -9.902
188 HA SER 29 HA SER 29 6.124 9.609 -11.857
189 HB2 SER 29 HB2 SER 29 6.318 11.511 -13.414
190 HB3 SER 29 HB3 SER 29 5.424 11.957 -11.958
191 HG SER 29 HG SER 29 7.263 12.986 -11.175
192 H GLN 30 H GLN 30 7.427 9.808 -14.054
193 HA GLN 30 HA GLN 30 9.963 8.642 -13.512
194 HB2 GLN 30 HB2 GLN 30 10.163 8.289 -15.895
195 HB3 GLN 30 HB3 GLN 30 8.574 7.804 -15.340
196 HG2 GLN 30 HG2 GLN 30 9.178 10.415 -16.680
197 HG3 GLN 30 HG3 GLN 30 8.615 8.977 -17.528
198 HE21 GLN 30 HE21 GLN 30 7.757 11.696 -15.646
199 HE22 GLN 30 HE22 GLN 30 6.049 11.424 -15.605
200 H ALA 31 H ALA 31 8.934 11.818 -13.876
201 HA ALA 31 HA ALA 31 11.133 12.995 -15.214
202 HB1 ALA 31 HB1 ALA 31 9.007 14.169 -14.859
203 HB2 ALA 31 HB2 ALA 31 10.365 15.090 -14.211
204 HB3 ALA 31 HB3 ALA 31 9.311 14.189 -13.121
205 H CYS 32 H CYS 32 10.416 12.950 -11.720
206 HA CYS 32 HA CYS 32 13.040 13.730 -11.000
207 HB2 CYS 32 HB2 CYS 32 10.943 12.343 -9.304
208 HB3 CYS 32 HB3 CYS 32 12.341 13.233 -8.698
209 H ALA 33 H ALA 33 11.472 10.695 -11.584
210 HA ALA 33 HA ALA 33 13.198 8.933 -10.257
211 HB1 ALA 33 HB1 ALA 33 11.743 8.352 -12.824
212 HB2 ALA 33 HB2 ALA 33 10.982 8.340 -11.234
213 HB3 ALA 33 HB3 ALA 33 12.270 7.192 -11.606
214 H GLU 34 H GLU 34 13.195 9.907 -13.649
215 HA GLU 34 HA GLU 34 15.665 8.575 -14.211
216 HB2 GLU 34 HB2 GLU 34 14.121 10.636 -15.786
217 HB3 GLU 34 HB3 GLU 34 15.505 9.739 -16.391
218 HG2 GLU 34 HG2 GLU 34 12.912 8.510 -15.495
219 HG3 GLU 34 HG3 GLU 34 13.353 8.849 -17.168
220 H GLN 35 H GLN 35 15.093 11.161 -12.372
221 HA GLN 35 HA GLN 35 16.264 12.886 -11.569
222 HB2 GLN 35 HB2 GLN 35 18.529 11.408 -12.912
223 HB3 GLN 35 HB3 GLN 35 18.773 12.832 -11.904
224 HG2 GLN 35 HG2 GLN 35 17.878 11.726 -9.988
225 HG3 GLN 35 HG3 GLN 35 17.358 10.352 -10.958
226 HE21 GLN 35 HE21 GLN 35 18.492 8.935 -9.673
227 HE22 GLN 35 HE22 GLN 35 20.213 8.800 -9.730
228 H HIS 36 H HIS 36 14.919 13.028 -14.051
229 HA HIS 36 HA HIS 36 14.473 14.445 -15.746
230 HB2 HIS 36 HB2 HIS 36 16.129 16.454 -14.209
231 HB3 HIS 36 HB3 HIS 36 14.824 16.790 -15.338
232 HD1 HIS 36 HD1 HIS 36 12.579 17.180 -14.275
233 HD2 HIS 36 HD2 HIS 36 15.108 14.986 -11.820
234 HE1 HIS 36 HE1 HIS 36 11.373 16.935 -12.087
235 HA PRO 37 HA PRO 37 18.547 14.048 -17.866
236 HB2 PRO 37 HB2 PRO 37 17.919 12.134 -19.613
237 HB3 PRO 37 HB3 PRO 37 18.307 11.733 -17.935
238 HG2 PRO 37 HG2 PRO 37 15.639 11.932 -19.265
239 HG3 PRO 37 HG3 PRO 37 16.218 10.737 -18.092
240 HD2 PRO 37 HD2 PRO 37 14.649 12.932 -17.465
241 HD3 PRO 37 HD3 PRO 37 15.679 12.065 -16.310
242 H ASN 38 H ASN 38 15.341 14.796 -18.679
243 HA ASN 38 HA ASN 38 16.166 15.897 -21.296
244 HB2 ASN 38 HB2 ASN 38 14.296 14.082 -21.096
245 HB3 ASN 38 HB3 ASN 38 13.308 15.407 -20.496
246 HD21 ASN 38 HD21 ASN 38 14.653 17.364 -22.254
247 HD22 ASN 38 HD22 ASN 38 14.032 17.063 -23.835
248 H GLY 39 H GLY 39 14.822 16.497 -18.174
249 HA2 GLY 39 HA2 GLY 39 14.943 18.679 -17.189
250 HA3 GLY 39 HA3 GLY 39 14.744 19.374 -18.796
251 H GLU 40 H GLU 40 12.871 16.664 -17.992
252 HA GLU 40 HA GLU 40 10.430 18.050 -18.397
253 HB2 GLU 40 HB2 GLU 40 9.395 15.849 -17.861
254 HB3 GLU 40 HB3 GLU 40 10.611 15.763 -19.124
255 HG2 GLU 40 HG2 GLU 40 11.332 15.155 -16.282
256 HG3 GLU 40 HG3 GLU 40 10.536 13.946 -17.282
257 HA PRO 41 HA PRO 41 9.671 19.069 -14.137
258 HB2 PRO 41 HB2 PRO 41 7.190 20.022 -14.367
259 HB3 PRO 41 HB3 PRO 41 8.555 20.855 -15.120
260 HG2 PRO 41 HG2 PRO 41 6.499 19.081 -16.364
261 HG3 PRO 41 HG3 PRO 41 7.227 20.566 -16.995
262 HD2 PRO 41 HD2 PRO 41 8.000 17.981 -17.680
263 HD3 PRO 41 HD3 PRO 41 8.985 19.440 -17.902
264 H CYS 42 H CYS 42 8.593 18.264 -12.307
265 HA CYS 42 HA CYS 42 7.149 15.768 -12.717
266 HB2 CYS 42 HB2 CYS 42 7.507 15.406 -10.307
267 HB3 CYS 42 HB3 CYS 42 9.018 15.771 -11.121
268 HA PRO 43 HA PRO 43 3.178 17.493 -11.907
269 HB2 PRO 43 HB2 PRO 43 1.890 15.512 -10.615
270 HB3 PRO 43 HB3 PRO 43 2.351 15.390 -12.318
271 HG2 PRO 43 HG2 PRO 43 3.737 14.286 -9.901
272 HG3 PRO 43 HG3 PRO 43 3.383 13.488 -11.445
273 HD2 PRO 43 HD2 PRO 43 5.811 14.516 -10.883
274 HD3 PRO 43 HD3 PRO 43 5.143 14.516 -12.526
275 H ALA 44 H ALA 44 5.304 17.702 -9.568
276 HA ALA 44 HA ALA 44 3.553 17.849 -7.281
277 HB1 ALA 44 HB1 ALA 44 5.525 18.616 -6.056
278 HB2 ALA 44 HB2 ALA 44 6.435 18.685 -7.566
279 HB3 ALA 44 HB3 ALA 44 5.854 17.137 -6.958
280 HA PRO 45 HA PRO 45 2.109 21.978 -8.158
281 HB2 PRO 45 HB2 PRO 45 1.143 22.476 -5.637
282 HB3 PRO 45 HB3 PRO 45 0.282 21.525 -6.854
283 HG2 PRO 45 HG2 PRO 45 2.026 20.582 -4.603
284 HG3 PRO 45 HG3 PRO 45 0.432 19.974 -5.103
285 HD2 PRO 45 HD2 PRO 45 2.650 18.693 -5.780
286 HD3 PRO 45 HD3 PRO 45 1.323 18.864 -6.949
287 H ASP 46 H ASP 46 4.148 21.238 -5.378
288 HA ASP 46 HA ASP 46 5.116 24.018 -5.383
289 HB2 ASP 46 HB2 ASP 46 5.872 23.613 -3.070
290 HB3 ASP 46 HB3 ASP 46 4.141 23.357 -3.242
291 H CYS 47 H CYS 47 5.912 21.841 -7.146
292 HA CYS 47 HA CYS 47 8.302 20.588 -6.587
293 HB2 CYS 47 HB2 CYS 47 7.397 19.927 -8.588
294 HB3 CYS 47 HB3 CYS 47 7.019 21.571 -9.084
295 H HIS 48 H HIS 48 10.439 21.035 -6.817
296 HA HIS 48 HA HIS 48 11.395 23.389 -8.055
297 HB2 HIS 48 HB2 HIS 48 10.712 24.325 -5.826
298 HB3 HIS 48 HB3 HIS 48 11.896 23.256 -5.077
299 HD1 HIS 48 HD1 HIS 48 14.234 24.128 -4.919
300 HD2 HIS 48 HD2 HIS 48 11.966 26.223 -7.693
301 HE1 HIS 48 HE1 HIS 48 15.689 26.017 -5.688
302 HE2 HIS 48 HE2 HIS 48 14.409 27.048 -7.584
303 H CYS 49 H CYS 49 12.098 21.258 -9.027
304 HA CYS 49 HA CYS 49 14.328 19.968 -7.753
305 HB2 CYS 49 HB2 CYS 49 13.525 19.812 -10.664
306 HB3 CYS 49 HB3 CYS 49 14.456 18.636 -9.744
307 H GLU 50 H GLU 50 16.047 21.289 -7.444
308 HA GLU 50 HA GLU 50 16.775 23.295 -9.396
309 HB2 GLU 50 HB2 GLU 50 17.044 23.348 -6.798
310 HB3 GLU 50 HB3 GLU 50 18.516 22.443 -7.097
311 HG2 GLU 50 HG2 GLU 50 17.877 25.176 -8.201
312 HG3 GLU 50 HG3 GLU 50 18.928 24.839 -6.831
313 H ARG 51 H ARG 51 18.361 20.399 -8.075
314 HA ARG 51 HA ARG 51 20.197 20.442 -10.290
315 HB2 ARG 51 HB2 ARG 51 21.419 18.714 -9.012
316 HB3 ARG 51 HB3 ARG 51 21.251 20.226 -8.139
317 HG2 ARG 51 HG2 ARG 51 19.346 19.206 -6.895
318 HG3 ARG 51 HG3 ARG 51 19.735 17.672 -7.683
319 HD2 ARG 51 HD2 ARG 51 21.995 17.778 -6.758
320 HD3 ARG 51 HD3 ARG 51 21.600 19.298 -5.964
321 HE ARG 51 HE ARG 51 20.455 16.670 -5.299
322 HH11 ARG 51 HH11 ARG 51 21.138 20.008 -4.437
323 HH12 ARG 51 HH12 ARG 51 20.791 19.783 -2.762
324 HH21 ARG 51 HH21 ARG 51 20.001 16.364 -3.087
325 HH22 ARG 51 HH22 ARG 51 20.140 17.689 -1.980
326 H SER 52 H SER 52 20.584 18.528 -11.421
327 HA SER 52 HA SER 52 19.796 17.091 -12.879
328 HB2 SER 52 HB2 SER 52 18.850 14.974 -11.912
329 HB3 SER 52 HB3 SER 52 20.341 15.516 -11.145
330 HG SER 52 HG SER 52 18.318 16.640 -9.840
Start of MODEL 16
1 HA ASN 1 HA ASN 1 1.922 5.172 4.430
2 HB2 ASN 1 HB2 ASN 1 2.205 6.119 7.276
3 HB3 ASN 1 HB3 ASN 1 1.191 6.978 6.123
4 HD21 ASN 1 HD21 ASN 1 -0.638 6.518 7.364
5 HD22 ASN 1 HD22 ASN 1 -1.359 4.946 7.366
6 H GLU 2 H GLU 2 4.806 6.388 5.977
7 HA GLU 2 HA GLU 2 4.692 8.943 4.684
8 HB2 GLU 2 HB2 GLU 2 6.930 7.536 6.140
9 HB3 GLU 2 HB3 GLU 2 7.062 9.158 5.479
10 HG2 GLU 2 HG2 GLU 2 5.137 9.811 6.933
11 HG3 GLU 2 HG3 GLU 2 5.255 8.221 7.687
12 H LEU 3 H LEU 3 4.513 8.562 2.499
13 HA LEU 3 HA LEU 3 6.927 7.446 1.251
14 HB2 LEU 3 HB2 LEU 3 4.884 6.048 0.948
15 HB3 LEU 3 HB3 LEU 3 4.131 7.395 0.120
16 HG LEU 3 HG LEU 3 5.865 7.271 -1.634
17 HD11 LEU 3 HD11 LEU 3 6.792 4.840 -0.112
18 HD12 LEU 3 HD12 LEU 3 7.688 6.344 -0.338
19 HD13 LEU 3 HD13 LEU 3 7.337 5.311 -1.722
20 HD21 LEU 3 HD21 LEU 3 4.424 4.674 -1.107
21 HD22 LEU 3 HD22 LEU 3 5.083 5.197 -2.658
22 HD23 LEU 3 HD23 LEU 3 3.752 6.089 -1.918
23 H ARG 4 H ARG 4 8.082 9.065 0.509
24 HA ARG 4 HA ARG 4 6.694 11.241 -0.907
25 HB2 ARG 4 HB2 ARG 4 9.106 11.432 0.904
26 HB3 ARG 4 HB3 ARG 4 8.703 12.686 -0.256
27 HG2 ARG 4 HG2 ARG 4 7.805 13.464 1.741
28 HG3 ARG 4 HG3 ARG 4 6.417 12.760 0.914
29 HD2 ARG 4 HD2 ARG 4 6.779 10.674 2.225
30 HD3 ARG 4 HD3 ARG 4 8.047 11.513 3.117
31 HE ARG 4 HE ARG 4 5.342 12.638 3.079
32 HH11 ARG 4 HH11 ARG 4 7.976 11.146 4.862
33 HH12 ARG 4 HH12 ARG 4 7.262 11.412 6.417
34 HH21 ARG 4 HH21 ARG 4 4.396 13.019 5.140
35 HH22 ARG 4 HH22 ARG 4 5.214 12.496 6.571
36 H CYS 5 H CYS 5 8.239 12.402 -2.436
37 HA CYS 5 HA CYS 5 9.197 10.477 -4.274
38 HB2 CYS 5 HB2 CYS 5 8.237 12.795 -4.778
39 HB3 CYS 5 HB3 CYS 5 9.825 13.424 -4.352
40 H GLY 6 H GLY 6 11.274 9.923 -4.859
41 HA2 GLY 6 HA2 GLY 6 13.236 9.880 -2.814
42 HA3 GLY 6 HA3 GLY 6 13.453 9.398 -4.490
43 H CYS 7 H CYS 7 12.574 12.119 -5.291
44 HA CYS 7 HA CYS 7 15.060 13.243 -5.707
45 HB2 CYS 7 HB2 CYS 7 12.482 13.774 -6.521
46 HB3 CYS 7 HB3 CYS 7 12.893 15.202 -5.579
47 HA PRO 8 HA PRO 8 15.777 14.708 -1.516
48 HB2 PRO 8 HB2 PRO 8 18.289 15.656 -2.008
49 HB3 PRO 8 HB3 PRO 8 17.935 13.949 -1.722
50 HG2 PRO 8 HG2 PRO 8 18.365 15.386 -4.306
51 HG3 PRO 8 HG3 PRO 8 18.940 13.788 -3.803
52 HD2 PRO 8 HD2 PRO 8 16.807 14.128 -5.432
53 HD3 PRO 8 HD3 PRO 8 16.920 12.771 -4.292
54 H ASP 9 H ASP 9 15.913 16.495 -4.467
55 HA ASP 9 HA ASP 9 15.938 19.027 -3.007
56 HB2 ASP 9 HB2 ASP 9 16.750 18.224 -5.715
57 HB3 ASP 9 HB3 ASP 9 15.901 19.764 -5.626
58 H CYS 10 H CYS 10 13.702 16.867 -4.094
59 HA CYS 10 HA CYS 10 11.664 18.923 -4.098
60 HB2 CYS 10 HB2 CYS 10 12.457 18.630 -6.479
61 HB3 CYS 10 HB3 CYS 10 11.816 16.993 -6.406
62 H HIS 11 H HIS 11 10.057 18.233 -2.879
63 HA HIS 11 HA HIS 11 9.699 15.340 -2.625
64 HB2 HIS 11 HB2 HIS 11 9.092 17.540 -0.649
65 HB3 HIS 11 HB3 HIS 11 8.595 15.862 -0.433
66 HD2 HIS 11 HD2 HIS 11 11.056 14.091 -0.639
67 HE1 HIS 11 HE1 HIS 11 13.356 17.043 1.348
68 HE2 HIS 11 HE2 HIS 11 13.183 14.616 0.735
69 H CYS 12 H CYS 12 8.319 14.904 -4.163
70 HA CYS 12 HA CYS 12 5.932 16.507 -4.570
71 HB2 CYS 12 HB2 CYS 12 6.526 14.031 -6.083
72 HB3 CYS 12 HB3 CYS 12 5.843 15.552 -6.646
73 H LYS 13 H LYS 13 3.894 15.284 -4.997
74 HA LYS 13 HA LYS 13 3.218 13.570 -2.836
75 HB2 LYS 13 HB2 LYS 13 1.805 14.527 -5.292
76 HB3 LYS 13 HB3 LYS 13 1.138 13.214 -4.338
77 HG2 LYS 13 HG2 LYS 13 1.222 14.747 -2.358
78 HG3 LYS 13 HG3 LYS 13 1.637 16.044 -3.482
79 HD2 LYS 13 HD2 LYS 13 -0.776 15.991 -3.006
80 HD3 LYS 13 HD3 LYS 13 -0.435 15.682 -4.709
81 HE2 LYS 13 HE2 LYS 13 -2.144 14.142 -3.938
82 HE3 LYS 13 HE3 LYS 13 -0.668 13.243 -4.281
83 HZ1 LYS 13 HZ1 LYS 13 -0.181 13.210 -1.922
84 HZ2 LYS 13 HZ2 LYS 13 -1.698 12.531 -2.210
85 HZ3 LYS 13 HZ3 LYS 13 -1.573 14.096 -1.580
86 H VAL 14 H VAL 14 3.377 11.431 -2.749
87 HA VAL 14 HA VAL 14 3.693 10.051 -5.295
88 HB VAL 14 HB VAL 14 5.033 9.325 -2.691
89 HG11 VAL 14 HG11 VAL 14 6.152 7.570 -3.970
90 HG12 VAL 14 HG12 VAL 14 5.202 8.001 -5.393
91 HG13 VAL 14 HG13 VAL 14 4.404 7.344 -3.964
92 HG21 VAL 14 HG21 VAL 14 7.109 9.831 -3.887
93 HG22 VAL 14 HG22 VAL 14 6.053 11.242 -3.783
94 HG23 VAL 14 HG23 VAL 14 6.167 10.333 -5.290
95 H ASP 15 H ASP 15 2.117 8.867 -5.731
96 HA ASP 15 HA ASP 15 0.362 7.832 -3.634
97 HB2 ASP 15 HB2 ASP 15 -0.436 9.185 -5.685
98 HB3 ASP 15 HB3 ASP 15 -0.143 7.709 -6.590
99 HA PRO 16 HA PRO 16 2.193 3.801 -4.036
100 HB2 PRO 16 HB2 PRO 16 -0.567 2.877 -3.402
101 HB3 PRO 16 HB3 PRO 16 0.966 2.463 -2.624
102 HG2 PRO 16 HG2 PRO 16 -0.746 4.125 -1.445
103 HG3 PRO 16 HG3 PRO 16 1.003 4.403 -1.358
104 HD2 PRO 16 HD2 PRO 16 -1.057 5.783 -3.023
105 HD3 PRO 16 HD3 PRO 16 0.385 6.444 -2.226
106 H GLU 17 H GLU 17 -0.677 4.818 -5.724
107 HA GLU 17 HA GLU 17 -0.643 2.494 -7.474
108 HB2 GLU 17 HB2 GLU 17 -2.764 3.512 -6.583
109 HB3 GLU 17 HB3 GLU 17 -2.440 4.915 -7.587
110 HG2 GLU 17 HG2 GLU 17 -4.035 3.500 -8.674
111 HG3 GLU 17 HG3 GLU 17 -2.522 3.472 -9.577
112 H ARG 18 H ARG 18 0.854 5.529 -7.358
113 HA ARG 18 HA ARG 18 1.340 5.442 -10.267
114 HB2 ARG 18 HB2 ARG 18 0.744 7.884 -8.611
115 HB3 ARG 18 HB3 ARG 18 1.372 7.942 -10.250
116 HG2 ARG 18 HG2 ARG 18 -0.609 6.973 -11.128
117 HG3 ARG 18 HG3 ARG 18 -1.215 6.611 -9.508
118 HD2 ARG 18 HD2 ARG 18 -2.273 8.604 -10.484
119 HD3 ARG 18 HD3 ARG 18 -1.376 8.945 -9.002
120 HE ARG 18 HE ARG 18 0.448 9.488 -10.892
121 HH11 ARG 18 HH11 ARG 18 -2.898 10.483 -10.588
122 HH12 ARG 18 HH12 ARG 18 -2.646 12.018 -11.331
123 HH21 ARG 18 HH21 ARG 18 0.788 11.514 -11.887
124 HH22 ARG 18 HH22 ARG 18 -0.533 12.609 -12.082
125 H VAL 19 H VAL 19 2.815 4.698 -7.804
126 HA VAL 19 HA VAL 19 5.069 6.532 -7.873
127 HB VAL 19 HB VAL 19 4.512 5.861 -5.669
128 HG11 VAL 19 HG11 VAL 19 4.721 3.013 -6.617
129 HG12 VAL 19 HG12 VAL 19 3.264 3.862 -6.085
130 HG13 VAL 19 HG13 VAL 19 4.553 3.508 -4.932
131 HG21 VAL 19 HG21 VAL 19 6.888 6.051 -6.052
132 HG22 VAL 19 HG22 VAL 19 6.972 4.357 -6.536
133 HG23 VAL 19 HG23 VAL 19 6.562 4.781 -4.873
134 H PHE 20 H PHE 20 6.875 6.263 -8.933
135 HA PHE 20 HA PHE 20 7.351 3.723 -10.309
136 HB2 PHE 20 HB2 PHE 20 8.164 6.543 -10.829
137 HB3 PHE 20 HB3 PHE 20 9.233 5.258 -11.378
138 HD1 PHE 20 HD1 PHE 20 6.492 7.259 -12.208
139 HD2 PHE 20 HD2 PHE 20 8.053 3.353 -12.744
140 HE1 PHE 20 HE1 PHE 20 5.090 6.985 -14.218
141 HE2 PHE 20 HE2 PHE 20 6.662 3.060 -14.751
142 HZ PHE 20 HZ PHE 20 5.178 4.880 -15.492
143 H ASN 21 H ASN 21 9.090 2.471 -9.802
144 HA ASN 21 HA ASN 21 10.810 3.485 -7.662
145 HB2 ASN 21 HB2 ASN 21 11.343 1.196 -7.097
146 HB3 ASN 21 HB3 ASN 21 9.596 1.344 -7.214
147 HD21 ASN 21 HD21 ASN 21 12.465 -0.027 -8.605
148 HD22 ASN 21 HD22 ASN 21 11.664 -1.109 -9.688
149 H HIS 22 H HIS 22 12.894 3.789 -7.942
150 HA HIS 22 HA HIS 22 14.327 2.534 -10.106
151 HB2 HIS 22 HB2 HIS 22 13.354 4.508 -11.222
152 HB3 HIS 22 HB3 HIS 22 14.039 5.554 -9.986
153 HD2 HIS 22 HD2 HIS 22 16.774 6.085 -10.261
154 HE1 HIS 22 HE1 HIS 22 17.186 4.167 -14.014
155 HE2 HIS 22 HE2 HIS 22 18.141 5.873 -12.443
156 H ASP 23 H ASP 23 16.450 2.268 -9.574
157 HA ASP 23 HA ASP 23 18.350 2.219 -8.312
158 HB2 ASP 23 HB2 ASP 23 18.382 4.672 -8.845
159 HB3 ASP 23 HB3 ASP 23 17.487 4.976 -7.364
160 H GLY 24 H GLY 24 15.669 1.396 -7.268
161 HA2 GLY 24 HA2 GLY 24 14.928 0.345 -5.355
162 HA3 GLY 24 HA3 GLY 24 16.481 0.712 -4.612
163 H GLU 25 H GLU 25 14.559 3.218 -6.013
164 HA GLU 25 HA GLU 25 13.705 4.111 -3.355
165 HB2 GLU 25 HB2 GLU 25 15.795 5.256 -4.280
166 HB3 GLU 25 HB3 GLU 25 14.739 5.917 -5.516
167 HG2 GLU 25 HG2 GLU 25 13.550 7.212 -3.988
168 HG3 GLU 25 HG3 GLU 25 14.198 6.321 -2.611
169 H ALA 26 H ALA 26 11.878 5.549 -3.425
170 HA ALA 26 HA ALA 26 10.080 4.904 -5.653
171 HB1 ALA 26 HB1 ALA 26 8.268 5.530 -4.141
172 HB2 ALA 26 HB2 ALA 26 9.444 6.006 -2.915
173 HB3 ALA 26 HB3 ALA 26 9.313 4.316 -3.406
174 H TYR 27 H TYR 27 9.065 6.458 -6.874
175 HA TYR 27 HA TYR 27 9.680 9.271 -6.291
176 HB2 TYR 27 HB2 TYR 27 10.047 7.932 -8.975
177 HB3 TYR 27 HB3 TYR 27 10.184 9.659 -8.676
178 HD1 TYR 27 HD1 TYR 27 11.843 6.443 -8.495
179 HD2 TYR 27 HD2 TYR 27 12.069 10.520 -7.295
180 HE1 TYR 27 HE1 TYR 27 14.228 6.163 -7.997
181 HE2 TYR 27 HE2 TYR 27 14.454 10.241 -6.795
182 HH TYR 27 HH TYR 27 15.952 8.303 -6.140
183 H CYS 28 H CYS 28 8.293 10.783 -7.430
184 HA CYS 28 HA CYS 28 5.567 9.977 -7.397
185 HB2 CYS 28 HB2 CYS 28 5.103 12.265 -8.088
186 HB3 CYS 28 HB3 CYS 28 6.330 12.250 -6.825
187 H SER 29 H SER 29 7.868 10.739 -9.940
188 HA SER 29 HA SER 29 6.331 9.212 -11.844
189 HB2 SER 29 HB2 SER 29 6.923 12.150 -12.268
190 HB3 SER 29 HB3 SER 29 6.305 11.055 -13.504
191 HG SER 29 HG SER 29 4.822 10.912 -11.247
192 H GLN 30 H GLN 30 7.621 9.667 -14.119
193 HA GLN 30 HA GLN 30 10.101 8.403 -13.622
194 HB2 GLN 30 HB2 GLN 30 10.360 8.234 -15.992
195 HB3 GLN 30 HB3 GLN 30 8.701 7.864 -15.563
196 HG2 GLN 30 HG2 GLN 30 9.668 10.473 -16.692
197 HG3 GLN 30 HG3 GLN 30 8.916 9.184 -17.624
198 HE21 GLN 30 HE21 GLN 30 8.420 11.908 -15.636
199 HE22 GLN 30 HE22 GLN 30 6.688 11.871 -15.617
200 H ALA 31 H ALA 31 9.294 11.713 -13.886
201 HA ALA 31 HA ALA 31 11.692 12.717 -15.013
202 HB1 ALA 31 HB1 ALA 31 9.824 14.078 -13.069
203 HB2 ALA 31 HB2 ALA 31 9.647 14.065 -14.824
204 HB3 ALA 31 HB3 ALA 31 11.029 14.872 -14.084
205 H CYS 32 H CYS 32 10.712 12.703 -11.583
206 HA CYS 32 HA CYS 32 13.317 13.283 -10.653
207 HB2 CYS 32 HB2 CYS 32 10.990 12.055 -9.167
208 HB3 CYS 32 HB3 CYS 32 12.408 12.803 -8.438
209 H ALA 33 H ALA 33 11.601 10.364 -11.384
210 HA ALA 33 HA ALA 33 13.095 8.511 -9.916
211 HB1 ALA 33 HB1 ALA 33 12.207 6.822 -11.398
212 HB2 ALA 33 HB2 ALA 33 11.778 8.047 -12.589
213 HB3 ALA 33 HB3 ALA 33 10.948 8.002 -11.033
214 H GLU 34 H GLU 34 13.446 9.562 -13.263
215 HA GLU 34 HA GLU 34 15.859 8.046 -13.651
216 HB2 GLU 34 HB2 GLU 34 14.593 10.157 -15.403
217 HB3 GLU 34 HB3 GLU 34 15.911 9.094 -15.875
218 HG2 GLU 34 HG2 GLU 34 13.088 8.295 -15.212
219 HG3 GLU 34 HG3 GLU 34 13.848 8.295 -16.802
220 H GLN 35 H GLN 35 15.367 10.643 -11.852
221 HA GLN 35 HA GLN 35 16.658 12.258 -10.957
222 HB2 GLN 35 HB2 GLN 35 18.845 10.738 -12.377
223 HB3 GLN 35 HB3 GLN 35 19.150 12.087 -11.288
224 HG2 GLN 35 HG2 GLN 35 18.222 10.893 -9.435
225 HG3 GLN 35 HG3 GLN 35 17.664 9.596 -10.489
226 HE21 GLN 35 HE21 GLN 35 18.797 8.069 -9.301
227 HE22 GLN 35 HE22 GLN 35 20.514 7.908 -9.411
228 H HIS 36 H HIS 36 15.424 12.492 -13.602
229 HA HIS 36 HA HIS 36 15.119 14.021 -15.232
230 HB2 HIS 36 HB2 HIS 36 16.898 15.824 -13.573
231 HB3 HIS 36 HB3 HIS 36 15.736 16.329 -14.795
232 HD1 HIS 36 HD1 HIS 36 13.498 16.999 -13.885
233 HD2 HIS 36 HD2 HIS 36 15.502 14.395 -11.345
234 HE1 HIS 36 HE1 HIS 36 12.071 16.805 -11.836
235 HA PRO 37 HA PRO 37 19.105 13.082 -17.311
236 HB2 PRO 37 HB2 PRO 37 18.037 11.818 -19.438
237 HB3 PRO 37 HB3 PRO 37 18.317 10.992 -17.902
238 HG2 PRO 37 HG2 PRO 37 15.779 12.115 -19.014
239 HG3 PRO 37 HG3 PRO 37 16.046 10.589 -18.150
240 HD2 PRO 37 HD2 PRO 37 15.033 12.838 -16.975
241 HD3 PRO 37 HD3 PRO 37 15.944 11.596 -16.094
242 H ASN 38 H ASN 38 16.167 14.652 -18.256
243 HA ASN 38 HA ASN 38 17.550 16.001 -20.493
244 HB2 ASN 38 HB2 ASN 38 15.476 14.751 -21.045
245 HB3 ASN 38 HB3 ASN 38 14.586 15.815 -19.957
246 HD21 ASN 38 HD21 ASN 38 16.474 15.662 -22.867
247 HD22 ASN 38 HD22 ASN 38 15.875 17.125 -23.557
248 H GLY 39 H GLY 39 15.991 16.422 -17.440
249 HA2 GLY 39 HA2 GLY 39 16.412 18.355 -16.083
250 HA3 GLY 39 HA3 GLY 39 16.591 19.304 -17.559
251 H GLU 40 H GLU 40 14.130 16.973 -17.340
252 HA GLU 40 HA GLU 40 12.083 18.888 -17.849
253 HB2 GLU 40 HB2 GLU 40 10.601 16.904 -17.847
254 HB3 GLU 40 HB3 GLU 40 11.991 16.711 -18.903
255 HG2 GLU 40 HG2 GLU 40 12.069 15.638 -16.108
256 HG3 GLU 40 HG3 GLU 40 11.228 14.752 -17.374
257 HA PRO 41 HA PRO 41 10.850 19.391 -13.588
258 HB2 PRO 41 HB2 PRO 41 8.506 20.649 -13.981
259 HB3 PRO 41 HB3 PRO 41 10.048 21.454 -14.296
260 HG2 PRO 41 HG2 PRO 41 8.147 20.185 -16.226
261 HG3 PRO 41 HG3 PRO 41 9.040 21.710 -16.371
262 HD2 PRO 41 HD2 PRO 41 9.824 19.361 -17.552
263 HD3 PRO 41 HD3 PRO 41 10.944 20.661 -17.101
264 H CYS 42 H CYS 42 9.416 18.405 -12.129
265 HA CYS 42 HA CYS 42 7.952 16.152 -13.235
266 HB2 CYS 42 HB2 CYS 42 7.887 15.371 -10.893
267 HB3 CYS 42 HB3 CYS 42 9.524 15.751 -11.400
268 HA PRO 43 HA PRO 43 3.936 17.941 -12.560
269 HB2 PRO 43 HB2 PRO 43 2.434 15.863 -11.751
270 HB3 PRO 43 HB3 PRO 43 3.105 15.941 -13.385
271 HG2 PRO 43 HG2 PRO 43 4.140 14.466 -10.988
272 HG3 PRO 43 HG3 PRO 43 3.938 13.883 -12.650
273 HD2 PRO 43 HD2 PRO 43 6.318 14.702 -11.691
274 HD3 PRO 43 HD3 PRO 43 5.855 14.933 -13.387
275 H ALA 44 H ALA 44 5.661 18.396 -10.342
276 HA ALA 44 HA ALA 44 3.872 18.022 -8.045
277 HB1 ALA 44 HB1 ALA 44 6.788 18.778 -8.074
278 HB2 ALA 44 HB2 ALA 44 6.147 17.166 -7.767
279 HB3 ALA 44 HB3 ALA 44 5.796 18.484 -6.646
280 HA PRO 45 HA PRO 45 2.895 22.366 -8.289
281 HB2 PRO 45 HB2 PRO 45 1.761 22.610 -5.829
282 HB3 PRO 45 HB3 PRO 45 0.938 21.830 -7.185
283 HG2 PRO 45 HG2 PRO 45 2.453 20.578 -4.919
284 HG3 PRO 45 HG3 PRO 45 0.882 20.110 -5.599
285 HD2 PRO 45 HD2 PRO 45 3.157 18.821 -6.224
286 HD3 PRO 45 HD3 PRO 45 1.853 19.048 -7.410
287 H ASP 46 H ASP 46 4.537 20.971 -5.506
288 HA ASP 46 HA ASP 46 5.741 23.553 -4.804
289 HB2 ASP 46 HB2 ASP 46 4.648 22.091 -3.050
290 HB3 ASP 46 HB3 ASP 46 5.913 20.907 -3.335
291 H CYS 47 H CYS 47 6.424 21.958 -7.175
292 HA CYS 47 HA CYS 47 8.743 20.456 -6.931
293 HB2 CYS 47 HB2 CYS 47 7.412 20.481 -8.962
294 HB3 CYS 47 HB3 CYS 47 7.820 22.170 -9.235
295 H HIS 48 H HIS 48 10.872 20.868 -7.037
296 HA HIS 48 HA HIS 48 11.734 23.685 -7.036
297 HB2 HIS 48 HB2 HIS 48 11.885 22.894 -4.749
298 HB3 HIS 48 HB3 HIS 48 12.751 21.452 -5.262
299 HD1 HIS 48 HD1 HIS 48 15.136 21.621 -4.653
300 HD2 HIS 48 HD2 HIS 48 13.578 25.324 -5.702
301 HE1 HIS 48 HE1 HIS 48 17.049 23.236 -4.463
302 HE2 HIS 48 HE2 HIS 48 16.003 25.491 -4.835
303 H CYS 49 H CYS 49 12.357 20.367 -7.954
304 HA CYS 49 HA CYS 49 14.947 20.862 -9.055
305 HB2 CYS 49 HB2 CYS 49 14.570 18.569 -10.076
306 HB3 CYS 49 HB3 CYS 49 14.534 18.660 -8.316
307 H GLU 50 H GLU 50 12.017 21.899 -10.010
308 HA GLU 50 HA GLU 50 11.743 21.587 -12.726
309 HB2 GLU 50 HB2 GLU 50 10.205 22.905 -11.322
310 HB3 GLU 50 HB3 GLU 50 11.443 24.130 -11.108
311 HG2 GLU 50 HG2 GLU 50 11.377 24.513 -13.574
312 HG3 GLU 50 HG3 GLU 50 9.993 23.424 -13.644
313 H ARG 51 H ARG 51 13.867 23.722 -10.931
314 HA ARG 51 HA ARG 51 15.230 24.533 -13.352
315 HB2 ARG 51 HB2 ARG 51 16.575 25.955 -11.824
316 HB3 ARG 51 HB3 ARG 51 14.852 26.271 -11.705
317 HG2 ARG 51 HG2 ARG 51 14.827 24.787 -9.680
318 HG3 ARG 51 HG3 ARG 51 16.590 24.765 -9.769
319 HD2 ARG 51 HD2 ARG 51 15.844 26.456 -8.206
320 HD3 ARG 51 HD3 ARG 51 16.609 27.212 -9.606
321 HE ARG 51 HE ARG 51 13.917 27.109 -10.175
322 HH11 ARG 51 HH11 ARG 51 15.940 28.568 -7.717
323 HH12 ARG 51 HH12 ARG 51 14.863 29.888 -7.435
324 HH21 ARG 51 HH21 ARG 51 12.478 28.845 -9.794
325 HH22 ARG 51 HH22 ARG 51 12.884 30.049 -8.623
326 H SER 52 H SER 52 16.843 23.391 -14.113
327 HA SER 52 HA SER 52 18.797 22.159 -12.434
328 HB2 SER 52 HB2 SER 52 18.264 19.843 -13.574
329 HB3 SER 52 HB3 SER 52 17.410 20.334 -12.113
330 HG SER 52 HG SER 52 15.613 20.491 -13.200
Start of MODEL 17
1 HA ASN 1 HA ASN 1 5.725 5.128 6.513
2 HB2 ASN 1 HB2 ASN 1 4.592 3.061 5.991
3 HB3 ASN 1 HB3 ASN 1 3.203 3.929 5.350
4 HD21 ASN 1 HD21 ASN 1 6.494 2.952 4.774
5 HD22 ASN 1 HD22 ASN 1 6.512 3.308 3.081
6 H GLU 2 H GLU 2 6.313 7.036 5.762
7 HA GLU 2 HA GLU 2 4.325 8.665 4.359
8 HB2 GLU 2 HB2 GLU 2 5.498 9.789 6.201
9 HB3 GLU 2 HB3 GLU 2 7.043 9.433 5.440
10 HG2 GLU 2 HG2 GLU 2 6.373 10.796 3.501
11 HG3 GLU 2 HG3 GLU 2 4.872 11.197 4.331
12 H LEU 3 H LEU 3 4.308 8.271 2.255
13 HA LEU 3 HA LEU 3 6.771 7.456 0.951
14 HB2 LEU 3 HB2 LEU 3 4.699 6.182 0.553
15 HB3 LEU 3 HB3 LEU 3 3.963 7.615 -0.136
16 HG LEU 3 HG LEU 3 5.576 7.581 -1.976
17 HD11 LEU 3 HD11 LEU 3 7.079 5.670 -2.259
18 HD12 LEU 3 HD12 LEU 3 6.632 5.089 -0.657
19 HD13 LEU 3 HD13 LEU 3 7.481 6.624 -0.833
20 HD21 LEU 3 HD21 LEU 3 4.205 4.937 -1.515
21 HD22 LEU 3 HD22 LEU 3 4.789 5.535 -3.068
22 HD23 LEU 3 HD23 LEU 3 3.481 6.376 -2.235
23 H ARG 4 H ARG 4 8.030 8.975 0.230
24 HA ARG 4 HA ARG 4 6.812 11.308 -1.057
25 HB2 ARG 4 HB2 ARG 4 8.743 12.680 -0.295
26 HB3 ARG 4 HB3 ARG 4 7.723 12.121 1.017
27 HG2 ARG 4 HG2 ARG 4 10.142 10.539 0.301
28 HG3 ARG 4 HG3 ARG 4 10.329 12.046 1.198
29 HD2 ARG 4 HD2 ARG 4 8.834 11.231 2.928
30 HD3 ARG 4 HD3 ARG 4 8.552 9.750 2.016
31 HE ARG 4 HE ARG 4 11.060 9.418 2.303
32 HH11 ARG 4 HH11 ARG 4 9.070 11.098 4.687
33 HH12 ARG 4 HH12 ARG 4 10.071 10.628 6.016
34 HH21 ARG 4 HH21 ARG 4 12.370 8.826 4.053
35 HH22 ARG 4 HH22 ARG 4 11.967 9.331 5.660
36 H CYS 5 H CYS 5 8.504 12.438 -2.483
37 HA CYS 5 HA CYS 5 9.312 10.480 -4.378
38 HB2 CYS 5 HB2 CYS 5 8.324 12.769 -4.843
39 HB3 CYS 5 HB3 CYS 5 9.906 13.426 -4.445
40 H GLY 6 H GLY 6 11.458 10.378 -5.310
41 HA2 GLY 6 HA2 GLY 6 13.496 10.077 -3.359
42 HA3 GLY 6 HA3 GLY 6 13.701 9.952 -5.103
43 H CYS 7 H CYS 7 12.690 12.584 -5.651
44 HA CYS 7 HA CYS 7 15.001 14.149 -5.382
45 HB2 CYS 7 HB2 CYS 7 12.322 14.413 -6.475
46 HB3 CYS 7 HB3 CYS 7 12.829 15.903 -5.705
47 HA PRO 8 HA PRO 8 14.244 14.851 -1.005
48 HB2 PRO 8 HB2 PRO 8 16.612 16.007 -0.427
49 HB3 PRO 8 HB3 PRO 8 16.434 14.267 -0.682
50 HG2 PRO 8 HG2 PRO 8 17.419 16.370 -2.571
51 HG3 PRO 8 HG3 PRO 8 18.055 14.741 -2.281
52 HD2 PRO 8 HD2 PRO 8 16.467 15.364 -4.404
53 HD3 PRO 8 HD3 PRO 8 16.499 13.754 -3.657
54 H ASP 9 H ASP 9 15.044 17.343 -3.294
55 HA ASP 9 HA ASP 9 14.487 19.430 -1.313
56 HB2 ASP 9 HB2 ASP 9 16.429 19.729 -2.803
57 HB3 ASP 9 HB3 ASP 9 15.363 19.677 -4.199
58 H CYS 10 H CYS 10 12.948 17.607 -3.634
59 HA CYS 10 HA CYS 10 10.873 19.630 -4.047
60 HB2 CYS 10 HB2 CYS 10 12.060 18.532 -6.018
61 HB3 CYS 10 HB3 CYS 10 11.209 17.057 -5.567
62 H HIS 11 H HIS 11 8.692 19.070 -3.701
63 HA HIS 11 HA HIS 11 8.303 16.600 -2.156
64 HB2 HIS 11 HB2 HIS 11 6.943 19.271 -1.714
65 HB3 HIS 11 HB3 HIS 11 6.522 17.780 -0.880
66 HD2 HIS 11 HD2 HIS 11 9.656 20.169 -1.117
67 HE1 HIS 11 HE1 HIS 11 9.704 18.168 2.614
68 HE2 HIS 11 HE2 HIS 11 10.915 19.764 1.090
69 H CYS 12 H CYS 12 7.526 15.343 -3.707
70 HA CYS 12 HA CYS 12 5.331 16.324 -5.374
71 HB2 CYS 12 HB2 CYS 12 6.793 13.733 -5.724
72 HB3 CYS 12 HB3 CYS 12 5.916 14.672 -6.925
73 H LYS 13 H LYS 13 3.429 15.118 -5.585
74 HA LYS 13 HA LYS 13 2.725 13.562 -3.280
75 HB2 LYS 13 HB2 LYS 13 0.499 13.368 -4.359
76 HB3 LYS 13 HB3 LYS 13 1.029 15.026 -4.158
77 HG2 LYS 13 HG2 LYS 13 1.189 15.396 -6.398
78 HG3 LYS 13 HG3 LYS 13 1.603 13.717 -6.758
79 HD2 LYS 13 HD2 LYS 13 -1.116 14.596 -5.828
80 HD3 LYS 13 HD3 LYS 13 -0.677 14.455 -7.534
81 HE2 LYS 13 HE2 LYS 13 -0.213 12.089 -7.247
82 HE3 LYS 13 HE3 LYS 13 -0.514 12.206 -5.517
83 HZ1 LYS 13 HZ1 LYS 13 -2.812 12.790 -6.014
84 HZ2 LYS 13 HZ2 LYS 13 -2.406 11.282 -6.647
85 HZ3 LYS 13 HZ3 LYS 13 -2.519 12.622 -7.672
86 H VAL 14 H VAL 14 3.684 11.635 -3.217
87 HA VAL 14 HA VAL 14 3.813 10.060 -5.662
88 HB VAL 14 HB VAL 14 5.054 9.488 -2.970
89 HG11 VAL 14 HG11 VAL 14 5.507 8.230 -5.674
90 HG12 VAL 14 HG12 VAL 14 4.679 7.480 -4.307
91 HG13 VAL 14 HG13 VAL 14 6.400 7.855 -4.200
92 HG21 VAL 14 HG21 VAL 14 7.144 10.200 -4.014
93 HG22 VAL 14 HG22 VAL 14 5.959 11.507 -3.986
94 HG23 VAL 14 HG23 VAL 14 6.262 10.621 -5.481
95 H ASP 15 H ASP 15 2.418 8.580 -6.056
96 HA ASP 15 HA ASP 15 0.473 7.871 -4.016
97 HB2 ASP 15 HB2 ASP 15 -0.119 8.537 -6.421
98 HB3 ASP 15 HB3 ASP 15 0.478 6.948 -6.864
99 HA PRO 16 HA PRO 16 2.460 4.023 -3.059
100 HB2 PRO 16 HB2 PRO 16 -0.329 3.102 -2.586
101 HB3 PRO 16 HB3 PRO 16 1.075 3.024 -1.516
102 HG2 PRO 16 HG2 PRO 16 -0.847 4.809 -1.090
103 HG3 PRO 16 HG3 PRO 16 0.858 5.237 -0.853
104 HD2 PRO 16 HD2 PRO 16 -0.974 5.928 -3.111
105 HD3 PRO 16 HD3 PRO 16 0.283 6.910 -2.328
106 H GLU 17 H GLU 17 -0.252 4.237 -5.302
107 HA GLU 17 HA GLU 17 0.460 1.599 -6.371
108 HB2 GLU 17 HB2 GLU 17 -1.898 1.963 -5.778
109 HB3 GLU 17 HB3 GLU 17 -1.976 3.304 -6.908
110 HG2 GLU 17 HG2 GLU 17 -1.546 1.795 -8.755
111 HG3 GLU 17 HG3 GLU 17 -1.417 0.440 -7.633
112 H ARG 18 H ARG 18 0.799 4.928 -7.021
113 HA ARG 18 HA ARG 18 1.504 4.299 -9.817
114 HB2 ARG 18 HB2 ARG 18 0.381 6.932 -8.818
115 HB3 ARG 18 HB3 ARG 18 0.884 6.595 -10.463
116 HG2 ARG 18 HG2 ARG 18 -1.393 6.319 -10.634
117 HG3 ARG 18 HG3 ARG 18 -0.871 4.671 -10.291
118 HD2 ARG 18 HD2 ARG 18 -1.386 4.970 -7.946
119 HD3 ARG 18 HD3 ARG 18 -1.869 6.634 -8.249
120 HE ARG 18 HE ARG 18 -3.415 5.050 -9.903
121 HH11 ARG 18 HH11 ARG 18 -2.890 5.371 -6.436
122 HH12 ARG 18 HH12 ARG 18 -4.525 4.951 -6.034
123 HH21 ARG 18 HH21 ARG 18 -5.586 4.505 -9.334
124 HH22 ARG 18 HH22 ARG 18 -6.045 4.476 -7.666
125 H VAL 19 H VAL 19 3.176 4.164 -7.545
126 HA VAL 19 HA VAL 19 4.897 6.475 -7.653
127 HB VAL 19 HB VAL 19 4.720 5.537 -5.486
128 HG11 VAL 19 HG11 VAL 19 5.425 2.868 -6.695
129 HG12 VAL 19 HG12 VAL 19 3.861 3.351 -6.033
130 HG13 VAL 19 HG13 VAL 19 5.259 3.189 -4.968
131 HG21 VAL 19 HG21 VAL 19 6.970 6.234 -6.012
132 HG22 VAL 19 HG22 VAL 19 7.342 4.636 -6.662
133 HG23 VAL 19 HG23 VAL 19 7.005 4.834 -4.941
134 H PHE 20 H PHE 20 6.552 6.723 -8.976
135 HA PHE 20 HA PHE 20 7.369 4.628 -10.751
136 HB2 PHE 20 HB2 PHE 20 7.359 7.357 -10.901
137 HB3 PHE 20 HB3 PHE 20 9.044 7.035 -10.519
138 HD1 PHE 20 HD1 PHE 20 6.475 6.899 -12.978
139 HD2 PHE 20 HD2 PHE 20 10.394 5.598 -12.029
140 HE1 PHE 20 HE1 PHE 20 6.859 6.349 -15.357
141 HE2 PHE 20 HE2 PHE 20 10.802 5.045 -14.391
142 HZ PHE 20 HZ PHE 20 9.029 5.421 -16.058
143 H ASN 21 H ASN 21 8.731 3.092 -10.075
144 HA ASN 21 HA ASN 21 10.542 3.717 -7.869
145 HB2 ASN 21 HB2 ASN 21 9.130 1.706 -7.647
146 HB3 ASN 21 HB3 ASN 21 9.869 1.037 -9.098
147 HD21 ASN 21 HD21 ASN 21 12.013 0.339 -9.018
148 HD22 ASN 21 HD22 ASN 21 12.801 -0.001 -7.518
149 H HIS 22 H HIS 22 12.593 4.112 -8.214
150 HA HIS 22 HA HIS 22 13.929 2.882 -10.500
151 HB2 HIS 22 HB2 HIS 22 13.269 5.086 -11.326
152 HB3 HIS 22 HB3 HIS 22 13.978 5.859 -9.915
153 HD2 HIS 22 HD2 HIS 22 16.858 5.860 -9.911
154 HE1 HIS 22 HE1 HIS 22 17.156 5.004 -14.052
155 HE2 HIS 22 HE2 HIS 22 18.419 5.576 -11.951
156 H ASP 23 H ASP 23 15.752 1.994 -9.888
157 HA ASP 23 HA ASP 23 17.624 1.443 -8.735
158 HB2 ASP 23 HB2 ASP 23 18.205 3.856 -9.197
159 HB3 ASP 23 HB3 ASP 23 17.551 4.260 -7.614
160 H GLY 24 H GLY 24 14.853 1.348 -7.571
161 HA2 GLY 24 HA2 GLY 24 14.114 0.204 -5.670
162 HA3 GLY 24 HA3 GLY 24 15.676 0.494 -4.918
163 H GLU 25 H GLU 25 14.795 3.381 -6.134
164 HA GLU 25 HA GLU 25 13.707 4.238 -3.557
165 HB2 GLU 25 HB2 GLU 25 15.828 5.274 -4.578
166 HB3 GLU 25 HB3 GLU 25 14.743 6.010 -5.750
167 HG2 GLU 25 HG2 GLU 25 13.666 7.301 -4.103
168 HG3 GLU 25 HG3 GLU 25 14.438 6.404 -2.796
169 H ALA 26 H ALA 26 11.976 5.729 -3.533
170 HA ALA 26 HA ALA 26 10.020 5.157 -5.627
171 HB1 ALA 26 HB1 ALA 26 9.353 4.674 -3.345
172 HB2 ALA 26 HB2 ALA 26 8.371 5.980 -4.006
173 HB3 ALA 26 HB3 ALA 26 9.673 6.342 -2.877
174 H TYR 27 H TYR 27 9.116 6.682 -6.895
175 HA TYR 27 HA TYR 27 9.697 9.515 -6.378
176 HB2 TYR 27 HB2 TYR 27 10.102 8.099 -9.021
177 HB3 TYR 27 HB3 TYR 27 10.136 9.841 -8.808
178 HD1 TYR 27 HD1 TYR 27 11.959 6.724 -8.420
179 HD2 TYR 27 HD2 TYR 27 12.016 10.906 -7.599
180 HE1 TYR 27 HE1 TYR 27 14.369 6.604 -7.987
181 HE2 TYR 27 HE2 TYR 27 14.422 10.789 -7.170
182 HH TYR 27 HH TYR 27 16.027 8.823 -6.354
183 H CYS 28 H CYS 28 8.279 10.939 -7.644
184 HA CYS 28 HA CYS 28 5.580 9.985 -7.666
185 HB2 CYS 28 HB2 CYS 28 5.064 12.252 -8.443
186 HB3 CYS 28 HB3 CYS 28 6.158 12.279 -7.060
187 H SER 29 H SER 29 7.948 10.911 -10.107
188 HA SER 29 HA SER 29 6.498 9.436 -12.147
189 HB2 SER 29 HB2 SER 29 5.636 11.817 -12.155
190 HB3 SER 29 HB3 SER 29 7.276 12.340 -12.531
191 HG SER 29 HG SER 29 5.462 10.874 -14.108
192 H GLN 30 H GLN 30 7.899 9.805 -14.300
193 HA GLN 30 HA GLN 30 10.414 8.669 -13.684
194 HB2 GLN 30 HB2 GLN 30 10.841 8.652 -16.084
195 HB3 GLN 30 HB3 GLN 30 9.242 8.029 -15.709
196 HG2 GLN 30 HG2 GLN 30 9.664 10.871 -16.513
197 HG3 GLN 30 HG3 GLN 30 9.510 9.589 -17.717
198 HE21 GLN 30 HE21 GLN 30 7.813 11.864 -17.258
199 HE22 GLN 30 HE22 GLN 30 6.239 11.244 -16.896
200 H ALA 31 H ALA 31 9.402 11.938 -14.164
201 HA ALA 31 HA ALA 31 11.727 13.144 -15.100
202 HB1 ALA 31 HB1 ALA 31 9.773 14.268 -13.093
203 HB2 ALA 31 HB2 ALA 31 9.596 14.326 -14.847
204 HB3 ALA 31 HB3 ALA 31 10.914 15.197 -14.065
205 H CYS 32 H CYS 32 10.771 12.910 -11.655
206 HA CYS 32 HA CYS 32 13.334 13.678 -10.725
207 HB2 CYS 32 HB2 CYS 32 11.122 12.227 -9.242
208 HB3 CYS 32 HB3 CYS 32 12.480 13.077 -8.496
209 H ALA 33 H ALA 33 11.859 10.639 -11.509
210 HA ALA 33 HA ALA 33 13.571 8.898 -10.105
211 HB1 ALA 33 HB1 ALA 33 11.382 8.235 -11.055
212 HB2 ALA 33 HB2 ALA 33 12.690 7.142 -11.506
213 HB3 ALA 33 HB3 ALA 33 12.092 8.324 -12.669
214 H GLU 34 H GLU 34 13.689 10.145 -13.392
215 HA GLU 34 HA GLU 34 16.139 8.727 -14.006
216 HB2 GLU 34 HB2 GLU 34 14.541 10.755 -15.574
217 HB3 GLU 34 HB3 GLU 34 15.981 9.953 -16.180
218 HG2 GLU 34 HG2 GLU 34 14.872 7.804 -16.048
219 HG3 GLU 34 HG3 GLU 34 13.444 8.564 -15.347
220 H GLN 35 H GLN 35 15.618 11.243 -12.095
221 HA GLN 35 HA GLN 35 16.869 12.917 -11.232
222 HB2 GLN 35 HB2 GLN 35 19.081 11.732 -12.924
223 HB3 GLN 35 HB3 GLN 35 19.312 12.968 -11.696
224 HG2 GLN 35 HG2 GLN 35 18.481 11.412 -9.992
225 HG3 GLN 35 HG3 GLN 35 18.297 10.173 -11.233
226 HE21 GLN 35 HE21 GLN 35 20.531 12.008 -9.326
227 HE22 GLN 35 HE22 GLN 35 21.922 11.036 -9.658
228 H HIS 36 H HIS 36 15.411 13.107 -13.781
229 HA HIS 36 HA HIS 36 14.891 14.628 -15.370
230 HB2 HIS 36 HB2 HIS 36 16.561 16.532 -13.711
231 HB3 HIS 36 HB3 HIS 36 15.320 16.974 -14.878
232 HD1 HIS 36 HD1 HIS 36 13.036 17.327 -13.929
233 HD2 HIS 36 HD2 HIS 36 15.408 14.979 -11.461
234 HE1 HIS 36 HE1 HIS 36 11.689 16.944 -11.854
235 HA PRO 37 HA PRO 37 18.943 14.028 -17.490
236 HB2 PRO 37 HB2 PRO 37 17.917 12.813 -19.688
237 HB3 PRO 37 HB3 PRO 37 18.330 11.935 -18.213
238 HG2 PRO 37 HG2 PRO 37 15.662 12.880 -19.172
239 HG3 PRO 37 HG3 PRO 37 16.095 11.343 -18.402
240 HD2 PRO 37 HD2 PRO 37 14.921 13.394 -17.063
241 HD3 PRO 37 HD3 PRO 37 16.025 12.241 -16.289
242 H ASN 38 H ASN 38 15.850 15.244 -18.656
243 HA ASN 38 HA ASN 38 17.216 16.786 -20.753
244 HB2 ASN 38 HB2 ASN 38 15.191 15.432 -21.302
245 HB3 ASN 38 HB3 ASN 38 14.257 16.512 -20.270
246 HD21 ASN 38 HD21 ASN 38 16.190 16.278 -23.134
247 HD22 ASN 38 HD22 ASN 38 15.595 17.708 -23.889
248 H GLY 39 H GLY 39 15.641 17.103 -17.703
249 HA2 GLY 39 HA2 GLY 39 16.019 19.055 -16.345
250 HA3 GLY 39 HA3 GLY 39 16.094 20.015 -17.819
251 H GLU 40 H GLU 40 13.762 17.542 -17.228
252 HA GLU 40 HA GLU 40 11.610 19.421 -17.643
253 HB2 GLU 40 HB2 GLU 40 10.209 17.349 -17.698
254 HB3 GLU 40 HB3 GLU 40 11.484 17.391 -18.903
255 HG2 GLU 40 HG2 GLU 40 11.822 15.946 -16.286
256 HG3 GLU 40 HG3 GLU 40 11.048 15.188 -17.670
257 HA PRO 41 HA PRO 41 10.964 19.619 -13.153
258 HB2 PRO 41 HB2 PRO 41 8.737 21.385 -13.948
259 HB3 PRO 41 HB3 PRO 41 10.117 21.736 -12.903
260 HG2 PRO 41 HG2 PRO 41 9.913 22.807 -15.353
261 HG3 PRO 41 HG3 PRO 41 11.480 22.329 -14.676
262 HD2 PRO 41 HD2 PRO 41 9.758 20.888 -16.663
263 HD3 PRO 41 HD3 PRO 41 11.521 21.127 -16.658
264 H CYS 42 H CYS 42 9.633 18.333 -11.959
265 HA CYS 42 HA CYS 42 7.780 16.655 -13.322
266 HB2 CYS 42 HB2 CYS 42 7.467 15.614 -11.122
267 HB3 CYS 42 HB3 CYS 42 9.174 15.846 -11.475
268 HA PRO 43 HA PRO 43 3.978 18.839 -12.600
269 HB2 PRO 43 HB2 PRO 43 2.203 16.830 -12.374
270 HB3 PRO 43 HB3 PRO 43 3.021 17.181 -13.902
271 HG2 PRO 43 HG2 PRO 43 3.681 15.103 -11.842
272 HG3 PRO 43 HG3 PRO 43 3.574 14.928 -13.604
273 HD2 PRO 43 HD2 PRO 43 5.932 15.228 -12.326
274 HD3 PRO 43 HD3 PRO 43 5.645 15.877 -13.950
275 H ALA 44 H ALA 44 5.582 18.393 -10.169
276 HA ALA 44 HA ALA 44 3.681 17.617 -8.121
277 HB1 ALA 44 HB1 ALA 44 6.504 18.659 -7.898
278 HB2 ALA 44 HB2 ALA 44 6.010 16.966 -7.866
279 HB3 ALA 44 HB3 ALA 44 5.528 18.052 -6.563
280 HA PRO 45 HA PRO 45 2.138 21.728 -7.409
281 HB2 PRO 45 HB2 PRO 45 1.218 21.422 -4.886
282 HB3 PRO 45 HB3 PRO 45 0.419 20.667 -6.272
283 HG2 PRO 45 HG2 PRO 45 2.392 19.471 -4.353
284 HG3 PRO 45 HG3 PRO 45 0.840 18.805 -4.904
285 HD2 PRO 45 HD2 PRO 45 3.168 18.012 -5.970
286 HD3 PRO 45 HD3 PRO 45 1.709 18.186 -6.969
287 H ASP 46 H ASP 46 4.505 20.239 -5.360
288 HA ASP 46 HA ASP 46 5.365 22.891 -4.423
289 HB2 ASP 46 HB2 ASP 46 4.483 21.294 -2.651
290 HB3 ASP 46 HB3 ASP 46 5.872 20.271 -3.007
291 H CYS 47 H CYS 47 5.981 21.573 -6.861
292 HA CYS 47 HA CYS 47 8.403 20.226 -6.915
293 HB2 CYS 47 HB2 CYS 47 6.899 20.417 -8.847
294 HB3 CYS 47 HB3 CYS 47 7.294 22.126 -8.979
295 H HIS 48 H HIS 48 10.471 20.797 -6.789
296 HA HIS 48 HA HIS 48 11.175 23.661 -6.785
297 HB2 HIS 48 HB2 HIS 48 12.089 21.596 -4.771
298 HB3 HIS 48 HB3 HIS 48 12.816 23.183 -4.946
299 HD1 HIS 48 HD1 HIS 48 11.167 21.843 -2.463
300 HD2 HIS 48 HD2 HIS 48 9.969 24.907 -4.998
301 HE1 HIS 48 HE1 HIS 48 9.432 23.139 -1.189
302 HE2 HIS 48 HE2 HIS 48 8.631 24.898 -2.787
303 H CYS 49 H CYS 49 11.519 20.978 -8.442
304 HA CYS 49 HA CYS 49 14.430 21.233 -8.797
305 HB2 CYS 49 HB2 CYS 49 14.346 18.877 -9.564
306 HB3 CYS 49 HB3 CYS 49 13.860 19.084 -7.882
307 H GLU 50 H GLU 50 15.181 20.570 -10.960
308 HA GLU 50 HA GLU 50 13.460 20.482 -13.187
309 HB2 GLU 50 HB2 GLU 50 14.212 22.631 -14.263
310 HB3 GLU 50 HB3 GLU 50 13.126 22.837 -12.900
311 HG2 GLU 50 HG2 GLU 50 15.080 23.349 -11.475
312 HG3 GLU 50 HG3 GLU 50 16.110 23.235 -12.899
313 H ARG 51 H ARG 51 16.716 21.629 -12.318
314 HA ARG 51 HA ARG 51 17.837 20.141 -14.556
315 HB2 ARG 51 HB2 ARG 51 19.936 21.297 -14.008
316 HB3 ARG 51 HB3 ARG 51 18.616 22.419 -14.283
317 HG2 ARG 51 HG2 ARG 51 18.356 22.695 -11.862
318 HG3 ARG 51 HG3 ARG 51 19.691 21.572 -11.602
319 HD2 ARG 51 HD2 ARG 51 19.822 24.243 -12.995
320 HD3 ARG 51 HD3 ARG 51 20.483 23.850 -11.410
321 HE ARG 51 HE ARG 51 21.458 22.700 -13.948
322 HH11 ARG 51 HH11 ARG 51 22.045 23.866 -10.687
323 HH12 ARG 51 HH12 ARG 51 23.752 23.622 -10.773
324 HH21 ARG 51 HH21 ARG 51 23.726 22.379 -14.051
325 HH22 ARG 51 HH22 ARG 51 24.706 22.763 -12.676
326 H SER 52 H SER 52 19.794 18.852 -14.211
327 HA SER 52 HA SER 52 19.441 16.928 -12.147
328 HB2 SER 52 HB2 SER 52 21.849 17.291 -13.936
329 HB3 SER 52 HB3 SER 52 21.324 15.811 -13.134
330 HG SER 52 HG SER 52 19.433 15.876 -14.437
Start of MODEL 18
1 HA ASN 1 HA ASN 1 1.668 10.966 2.102
2 HB2 ASN 1 HB2 ASN 1 4.391 11.972 1.232
3 HB3 ASN 1 HB3 ASN 1 3.442 10.760 0.379
4 HD21 ASN 1 HD21 ASN 1 3.845 14.113 1.082
5 HD22 ASN 1 HD22 ASN 1 2.658 14.703 -0.029
6 H GLU 2 H GLU 2 1.945 8.840 2.430
7 HA GLU 2 HA GLU 2 3.759 7.947 4.440
8 HB2 GLU 2 HB2 GLU 2 2.019 6.410 2.504
9 HB3 GLU 2 HB3 GLU 2 2.932 5.673 3.809
10 HG2 GLU 2 HG2 GLU 2 1.648 6.980 5.434
11 HG3 GLU 2 HG3 GLU 2 0.715 7.682 4.113
12 H LEU 3 H LEU 3 3.678 7.962 0.966
13 HA LEU 3 HA LEU 3 6.401 6.872 0.933
14 HB2 LEU 3 HB2 LEU 3 4.635 5.551 -0.271
15 HB3 LEU 3 HB3 LEU 3 4.398 6.926 -1.328
16 HG LEU 3 HG LEU 3 6.663 6.689 -2.199
17 HD11 LEU 3 HD11 LEU 3 8.043 4.761 -1.561
18 HD12 LEU 3 HD12 LEU 3 6.877 4.352 -0.304
19 HD13 LEU 3 HD13 LEU 3 7.782 5.863 -0.211
20 HD21 LEU 3 HD21 LEU 3 6.386 4.534 -3.332
21 HD22 LEU 3 HD22 LEU 3 4.875 5.441 -3.281
22 HD23 LEU 3 HD23 LEU 3 5.132 4.091 -2.176
23 H ARG 4 H ARG 4 7.910 8.328 0.516
24 HA ARG 4 HA ARG 4 7.090 10.939 -0.531
25 HB2 ARG 4 HB2 ARG 4 9.164 11.773 0.421
26 HB3 ARG 4 HB3 ARG 4 8.236 10.905 1.636
27 HG2 ARG 4 HG2 ARG 4 9.675 8.916 1.206
28 HG3 ARG 4 HG3 ARG 4 10.667 9.930 0.158
29 HD2 ARG 4 HD2 ARG 4 10.118 10.431 3.075
30 HD3 ARG 4 HD3 ARG 4 11.594 9.729 2.421
31 HE ARG 4 HE ARG 4 11.125 12.212 1.186
32 HH11 ARG 4 HH11 ARG 4 11.995 10.876 4.298
33 HH12 ARG 4 HH12 ARG 4 12.935 12.244 4.778
34 HH21 ARG 4 HH21 ARG 4 12.366 14.039 1.808
35 HH22 ARG 4 HH22 ARG 4 13.149 14.061 3.349
36 H CYS 5 H CYS 5 8.639 12.062 -1.965
37 HA CYS 5 HA CYS 5 9.443 10.296 -4.087
38 HB2 CYS 5 HB2 CYS 5 8.341 12.586 -4.398
39 HB3 CYS 5 HB3 CYS 5 9.898 13.282 -3.969
40 H GLY 6 H GLY 6 11.526 9.960 -4.810
41 HA2 GLY 6 HA2 GLY 6 13.533 9.872 -2.790
42 HA3 GLY 6 HA3 GLY 6 13.711 9.432 -4.480
43 H CYS 7 H CYS 7 12.714 12.227 -5.080
44 HA CYS 7 HA CYS 7 15.200 13.392 -5.612
45 HB2 CYS 7 HB2 CYS 7 12.593 13.901 -6.326
46 HB3 CYS 7 HB3 CYS 7 12.980 15.289 -5.318
47 HA PRO 8 HA PRO 8 15.965 14.766 -1.345
48 HB2 PRO 8 HB2 PRO 8 18.539 15.654 -2.452
49 HB3 PRO 8 HB3 PRO 8 18.218 14.480 -1.171
50 HG2 PRO 8 HG2 PRO 8 19.125 13.734 -3.593
51 HG3 PRO 8 HG3 PRO 8 18.015 12.723 -2.648
52 HD2 PRO 8 HD2 PRO 8 17.431 14.514 -4.975
53 HD3 PRO 8 HD3 PRO 8 16.796 12.895 -4.600
54 H ASP 9 H ASP 9 15.805 16.526 -4.241
55 HA ASP 9 HA ASP 9 16.151 19.099 -2.854
56 HB2 ASP 9 HB2 ASP 9 16.305 18.349 -5.764
57 HB3 ASP 9 HB3 ASP 9 16.122 20.018 -5.247
58 H CYS 10 H CYS 10 13.704 17.045 -3.514
59 HA CYS 10 HA CYS 10 11.789 19.220 -3.662
60 HB2 CYS 10 HB2 CYS 10 12.400 18.606 -6.015
61 HB3 CYS 10 HB3 CYS 10 11.744 17.004 -5.707
62 H HIS 11 H HIS 11 9.695 18.638 -3.004
63 HA HIS 11 HA HIS 11 9.442 15.918 -1.936
64 HB2 HIS 11 HB2 HIS 11 8.159 16.729 -0.030
65 HB3 HIS 11 HB3 HIS 11 9.705 17.553 -0.076
66 HD2 HIS 11 HD2 HIS 11 9.474 20.311 -1.043
67 HE1 HIS 11 HE1 HIS 11 5.405 20.550 0.117
68 HE2 HIS 11 HE2 HIS 11 7.386 21.816 -0.773
69 H CYS 12 H CYS 12 8.011 14.836 -3.038
70 HA CYS 12 HA CYS 12 5.766 16.301 -4.249
71 HB2 CYS 12 HB2 CYS 12 6.907 13.754 -5.313
72 HB3 CYS 12 HB3 CYS 12 5.929 14.954 -6.148
73 H LYS 13 H LYS 13 3.834 15.066 -4.586
74 HA LYS 13 HA LYS 13 3.290 13.213 -2.448
75 HB2 LYS 13 HB2 LYS 13 0.980 13.219 -3.386
76 HB3 LYS 13 HB3 LYS 13 1.561 14.801 -2.897
77 HG2 LYS 13 HG2 LYS 13 1.758 15.544 -5.094
78 HG3 LYS 13 HG3 LYS 13 1.769 13.904 -5.747
79 HD2 LYS 13 HD2 LYS 13 -0.596 15.097 -4.332
80 HD3 LYS 13 HD3 LYS 13 -0.370 15.211 -6.081
81 HE2 LYS 13 HE2 LYS 13 -0.319 12.756 -6.219
82 HE3 LYS 13 HE3 LYS 13 -0.549 12.651 -4.477
83 HZ1 LYS 13 HZ1 LYS 13 -2.472 13.874 -6.372
84 HZ2 LYS 13 HZ2 LYS 13 -2.702 13.672 -4.712
85 HZ3 LYS 13 HZ3 LYS 13 -2.607 12.323 -5.722
86 H VAL 14 H VAL 14 3.791 11.141 -2.700
87 HA VAL 14 HA VAL 14 3.951 10.103 -5.413
88 HB VAL 14 HB VAL 14 4.998 8.903 -2.851
89 HG11 VAL 14 HG11 VAL 14 4.454 7.211 -4.522
90 HG12 VAL 14 HG12 VAL 14 6.199 7.361 -4.315
91 HG13 VAL 14 HG13 VAL 14 5.412 8.079 -5.721
92 HG21 VAL 14 HG21 VAL 14 6.421 10.310 -5.102
93 HG22 VAL 14 HG22 VAL 14 7.193 9.540 -3.715
94 HG23 VAL 14 HG23 VAL 14 6.158 10.949 -3.480
95 H ASP 15 H ASP 15 2.549 8.795 -6.189
96 HA ASP 15 HA ASP 15 0.382 7.782 -4.536
97 HB2 ASP 15 HB2 ASP 15 0.033 8.939 -6.757
98 HB3 ASP 15 HB3 ASP 15 0.792 7.549 -7.508
99 HA PRO 16 HA PRO 16 2.535 3.896 -4.049
100 HB2 PRO 16 HB2 PRO 16 -0.236 2.907 -3.603
101 HB3 PRO 16 HB3 PRO 16 1.204 2.712 -2.597
102 HG2 PRO 16 HG2 PRO 16 -0.704 4.428 -1.902
103 HG3 PRO 16 HG3 PRO 16 1.008 4.831 -1.673
104 HD2 PRO 16 HD2 PRO 16 -0.901 5.782 -3.766
105 HD3 PRO 16 HD3 PRO 16 0.390 6.664 -2.922
106 H GLU 17 H GLU 17 -0.088 4.439 -6.279
107 HA GLU 17 HA GLU 17 0.444 1.870 -7.603
108 HB2 GLU 17 HB2 GLU 17 -1.879 2.327 -7.068
109 HB3 GLU 17 HB3 GLU 17 -1.809 3.847 -7.946
110 HG2 GLU 17 HG2 GLU 17 -1.423 2.616 -10.024
111 HG3 GLU 17 HG3 GLU 17 -1.522 1.098 -9.133
112 H ARG 18 H ARG 18 1.051 5.209 -7.880
113 HA ARG 18 HA ARG 18 1.765 4.875 -10.723
114 HB2 ARG 18 HB2 ARG 18 0.787 7.380 -9.341
115 HB3 ARG 18 HB3 ARG 18 1.270 7.264 -11.023
116 HG2 ARG 18 HG2 ARG 18 -0.609 6.128 -11.643
117 HG3 ARG 18 HG3 ARG 18 -0.853 5.436 -10.039
118 HD2 ARG 18 HD2 ARG 18 -1.609 7.565 -9.194
119 HD3 ARG 18 HD3 ARG 18 -1.248 8.340 -10.735
120 HE ARG 18 HE ARG 18 -3.011 6.973 -11.717
121 HH11 ARG 18 HH11 ARG 18 -3.033 7.311 -8.196
122 HH12 ARG 18 HH12 ARG 18 -4.731 7.008 -8.081
123 HH21 ARG 18 HH21 ARG 18 -5.258 6.594 -11.518
124 HH22 ARG 18 HH22 ARG 18 -5.992 6.612 -9.955
125 H VAL 19 H VAL 19 3.354 4.369 -8.402
126 HA VAL 19 HA VAL 19 5.304 6.526 -8.368
127 HB VAL 19 HB VAL 19 4.792 5.746 -6.182
128 HG11 VAL 19 HG11 VAL 19 5.044 3.388 -5.503
129 HG12 VAL 19 HG12 VAL 19 5.326 2.959 -7.192
130 HG13 VAL 19 HG13 VAL 19 3.770 3.632 -6.698
131 HG21 VAL 19 HG21 VAL 19 6.936 4.837 -5.379
132 HG22 VAL 19 HG22 VAL 19 7.144 6.188 -6.493
133 HG23 VAL 19 HG23 VAL 19 7.413 4.536 -7.050
134 H PHE 20 H PHE 20 7.150 6.462 -9.417
135 HA PHE 20 HA PHE 20 7.875 4.058 -10.897
136 HB2 PHE 20 HB2 PHE 20 8.700 6.940 -11.049
137 HB3 PHE 20 HB3 PHE 20 9.694 5.697 -11.791
138 HD1 PHE 20 HD1 PHE 20 6.601 7.570 -11.966
139 HD2 PHE 20 HD2 PHE 20 8.847 4.416 -13.698
140 HE1 PHE 20 HE1 PHE 20 5.160 7.651 -13.958
141 HE2 PHE 20 HE2 PHE 20 7.416 4.484 -15.697
142 HZ PHE 20 HZ PHE 20 5.568 6.104 -15.830
143 H ASN 21 H ASN 21 9.606 2.837 -10.421
144 HA ASN 21 HA ASN 21 11.165 3.642 -8.070
145 HB2 ASN 21 HB2 ASN 21 9.986 1.519 -7.785
146 HB3 ASN 21 HB3 ASN 21 10.735 0.885 -9.246
147 HD21 ASN 21 HD21 ASN 21 12.882 0.231 -9.192
148 HD22 ASN 21 HD22 ASN 21 13.754 0.020 -7.715
149 H HIS 22 H HIS 22 13.227 4.046 -8.235
150 HA HIS 22 HA HIS 22 14.818 2.939 -10.387
151 HB2 HIS 22 HB2 HIS 22 13.993 4.967 -11.451
152 HB3 HIS 22 HB3 HIS 22 14.403 5.929 -10.039
153 HD2 HIS 22 HD2 HIS 22 17.155 6.508 -9.762
154 HE1 HIS 22 HE1 HIS 22 18.192 5.191 -13.657
155 HE2 HIS 22 HE2 HIS 22 19.027 6.234 -11.536
156 H ASP 23 H ASP 23 16.856 2.534 -9.684
157 HA ASP 23 HA ASP 23 18.648 2.359 -8.296
158 HB2 ASP 23 HB2 ASP 23 18.842 4.809 -8.635
159 HB3 ASP 23 HB3 ASP 23 17.746 5.084 -7.291
160 H GLY 24 H GLY 24 15.886 1.531 -7.537
161 HA2 GLY 24 HA2 GLY 24 14.975 0.345 -5.776
162 HA3 GLY 24 HA3 GLY 24 16.448 0.653 -4.868
163 H GLU 25 H GLU 25 15.144 3.459 -6.119
164 HA GLU 25 HA GLU 25 13.985 4.155 -3.514
165 HB2 GLU 25 HB2 GLU 25 16.088 5.330 -4.380
166 HB3 GLU 25 HB3 GLU 25 15.043 6.024 -5.609
167 HG2 GLU 25 HG2 GLU 25 13.829 7.262 -4.039
168 HG3 GLU 25 HG3 GLU 25 14.519 6.364 -2.686
169 H ALA 26 H ALA 26 12.138 5.551 -3.567
170 HA ALA 26 HA ALA 26 10.413 4.994 -5.881
171 HB1 ALA 26 HB1 ALA 26 8.539 5.435 -4.364
172 HB2 ALA 26 HB2 ALA 26 9.676 5.808 -3.069
173 HB3 ALA 26 HB3 ALA 26 9.598 4.176 -3.732
174 H TYR 27 H TYR 27 9.333 6.612 -6.965
175 HA TYR 27 HA TYR 27 9.850 9.387 -6.134
176 HB2 TYR 27 HB2 TYR 27 10.201 8.335 -8.945
177 HB3 TYR 27 HB3 TYR 27 10.382 10.007 -8.433
178 HD1 TYR 27 HD1 TYR 27 11.935 6.704 -8.554
179 HD2 TYR 27 HD2 TYR 27 12.344 10.690 -7.119
180 HE1 TYR 27 HE1 TYR 27 14.314 6.311 -8.144
181 HE2 TYR 27 HE2 TYR 27 14.733 10.295 -6.712
182 HH TYR 27 HH TYR 27 16.171 8.198 -6.227
183 H CYS 28 H CYS 28 8.384 10.945 -7.113
184 HA CYS 28 HA CYS 28 5.701 10.062 -7.154
185 HB2 CYS 28 HB2 CYS 28 5.147 12.354 -7.780
186 HB3 CYS 28 HB3 CYS 28 6.367 12.344 -6.513
187 H SER 29 H SER 29 7.965 10.933 -9.680
188 HA SER 29 HA SER 29 6.435 9.433 -11.612
189 HB2 SER 29 HB2 SER 29 7.042 12.372 -12.003
190 HB3 SER 29 HB3 SER 29 6.387 11.293 -13.236
191 HG SER 29 HG SER 29 4.939 11.118 -10.977
192 H GLN 30 H GLN 30 7.704 9.769 -13.848
193 HA GLN 30 HA GLN 30 10.244 8.643 -13.361
194 HB2 GLN 30 HB2 GLN 30 10.477 8.429 -15.716
195 HB3 GLN 30 HB3 GLN 30 8.809 8.083 -15.307
196 HG2 GLN 30 HG2 GLN 30 9.860 10.634 -16.495
197 HG3 GLN 30 HG3 GLN 30 8.983 9.374 -17.360
198 HE21 GLN 30 HE21 GLN 30 8.775 12.165 -15.425
199 HE22 GLN 30 HE22 GLN 30 7.049 12.264 -15.335
200 H ALA 31 H ALA 31 9.263 11.879 -13.522
201 HA ALA 31 HA ALA 31 11.544 13.061 -14.704
202 HB1 ALA 31 HB1 ALA 31 9.654 14.226 -12.657
203 HB2 ALA 31 HB2 ALA 31 9.423 14.262 -14.405
204 HB3 ALA 31 HB3 ALA 31 10.770 15.137 -13.674
205 H CYS 32 H CYS 32 10.667 12.899 -11.250
206 HA CYS 32 HA CYS 32 13.268 13.633 -10.398
207 HB2 CYS 32 HB2 CYS 32 11.058 12.257 -8.856
208 HB3 CYS 32 HB3 CYS 32 12.471 13.035 -8.154
209 H ALA 33 H ALA 33 11.802 10.688 -11.310
210 HA ALA 33 HA ALA 33 13.320 8.839 -9.829
211 HB1 ALA 33 HB1 ALA 33 11.209 8.297 -10.995
212 HB2 ALA 33 HB2 ALA 33 12.512 7.167 -11.356
213 HB3 ALA 33 HB3 ALA 33 12.068 8.402 -12.533
214 H GLU 34 H GLU 34 13.692 9.911 -13.178
215 HA GLU 34 HA GLU 34 16.282 8.598 -13.267
216 HB2 GLU 34 HB2 GLU 34 14.709 9.972 -15.446
217 HB3 GLU 34 HB3 GLU 34 16.233 9.122 -15.680
218 HG2 GLU 34 HG2 GLU 34 15.069 7.083 -14.715
219 HG3 GLU 34 HG3 GLU 34 13.568 7.985 -14.903
220 H GLN 35 H GLN 35 15.568 11.150 -11.812
221 HA GLN 35 HA GLN 35 16.660 13.006 -11.144
222 HB2 GLN 35 HB2 GLN 35 18.941 11.929 -12.812
223 HB3 GLN 35 HB3 GLN 35 19.067 13.200 -11.601
224 HG2 GLN 35 HG2 GLN 35 18.339 11.594 -9.880
225 HG3 GLN 35 HG3 GLN 35 18.304 10.330 -11.106
226 HE21 GLN 35 HE21 GLN 35 19.860 10.515 -8.678
227 HE22 GLN 35 HE22 GLN 35 21.522 10.413 -9.152
228 H HIS 36 H HIS 36 15.072 12.952 -13.546
229 HA HIS 36 HA HIS 36 14.317 14.358 -15.132
230 HB2 HIS 36 HB2 HIS 36 16.137 16.431 -13.876
231 HB3 HIS 36 HB3 HIS 36 14.714 16.739 -14.865
232 HD1 HIS 36 HD1 HIS 36 12.583 17.120 -13.584
233 HD2 HIS 36 HD2 HIS 36 15.397 15.026 -11.349
234 HE1 HIS 36 HE1 HIS 36 11.589 16.868 -11.292
235 HA PRO 37 HA PRO 37 18.075 13.671 -17.714
236 HB2 PRO 37 HB2 PRO 37 16.932 12.022 -19.515
237 HB3 PRO 37 HB3 PRO 37 17.536 11.443 -17.959
238 HG2 PRO 37 HG2 PRO 37 14.735 12.070 -18.788
239 HG3 PRO 37 HG3 PRO 37 15.340 10.711 -17.822
240 HD2 PRO 37 HD2 PRO 37 14.167 12.935 -16.746
241 HD3 PRO 37 HD3 PRO 37 15.361 11.941 -15.886
242 H ASN 38 H ASN 38 14.861 14.785 -18.339
243 HA ASN 38 HA ASN 38 15.784 16.043 -20.849
244 HB2 ASN 38 HB2 ASN 38 13.814 14.488 -20.983
245 HB3 ASN 38 HB3 ASN 38 12.931 15.619 -19.961
246 HD21 ASN 38 HD21 ASN 38 14.582 15.244 -22.997
247 HD22 ASN 38 HD22 ASN 38 13.750 16.511 -23.823
248 H GLY 39 H GLY 39 15.241 16.601 -17.651
249 HA2 GLY 39 HA2 GLY 39 15.414 18.602 -16.476
250 HA3 GLY 39 HA3 GLY 39 15.326 19.472 -18.007
251 H GLU 40 H GLU 40 13.045 17.026 -17.265
252 HA GLU 40 HA GLU 40 10.902 18.927 -17.483
253 HB2 GLU 40 HB2 GLU 40 9.438 16.948 -17.476
254 HB3 GLU 40 HB3 GLU 40 10.723 16.802 -18.662
255 HG2 GLU 40 HG2 GLU 40 10.976 15.554 -15.944
256 HG3 GLU 40 HG3 GLU 40 10.099 14.749 -17.241
257 HA PRO 41 HA PRO 41 10.451 19.243 -13.057
258 HB2 PRO 41 HB2 PRO 41 8.176 20.712 -13.035
259 HB3 PRO 41 HB3 PRO 41 9.746 21.415 -13.444
260 HG2 PRO 41 HG2 PRO 41 7.544 20.523 -15.261
261 HG3 PRO 41 HG3 PRO 41 8.563 21.970 -15.361
262 HD2 PRO 41 HD2 PRO 41 8.991 19.728 -16.854
263 HD3 PRO 41 HD3 PRO 41 10.289 20.835 -16.363
264 H CYS 42 H CYS 42 9.196 18.224 -11.488
265 HA CYS 42 HA CYS 42 7.565 16.050 -12.437
266 HB2 CYS 42 HB2 CYS 42 7.527 15.461 -10.012
267 HB3 CYS 42 HB3 CYS 42 9.151 15.675 -10.656
268 HA PRO 43 HA PRO 43 3.589 17.884 -11.655
269 HB2 PRO 43 HB2 PRO 43 2.095 15.854 -10.742
270 HB3 PRO 43 HB3 PRO 43 2.731 15.865 -12.392
271 HG2 PRO 43 HG2 PRO 43 3.799 14.463 -9.967
272 HG3 PRO 43 HG3 PRO 43 3.562 13.830 -11.606
273 HD2 PRO 43 HD2 PRO 43 5.974 14.667 -10.709
274 HD3 PRO 43 HD3 PRO 43 5.482 14.814 -12.403
275 H ALA 44 H ALA 44 5.569 17.822 -9.271
276 HA ALA 44 HA ALA 44 3.816 17.656 -6.991
277 HB1 ALA 44 HB1 ALA 44 5.761 18.382 -5.703
278 HB2 ALA 44 HB2 ALA 44 6.642 18.691 -7.199
279 HB3 ALA 44 HB3 ALA 44 6.171 17.047 -6.777
280 HA PRO 45 HA PRO 45 2.231 21.788 -7.343
281 HB2 PRO 45 HB2 PRO 45 1.508 22.093 -4.697
282 HB3 PRO 45 HB3 PRO 45 0.529 21.253 -5.903
283 HG2 PRO 45 HG2 PRO 45 2.387 20.126 -3.851
284 HG3 PRO 45 HG3 PRO 45 0.801 19.531 -4.374
285 HD2 PRO 45 HD2 PRO 45 3.088 18.405 -5.216
286 HD3 PRO 45 HD3 PRO 45 1.669 18.532 -6.274
287 H ASP 46 H ASP 46 4.204 21.039 -4.476
288 HA ASP 46 HA ASP 46 5.277 23.765 -4.549
289 HB2 ASP 46 HB2 ASP 46 4.321 22.834 -2.401
290 HB3 ASP 46 HB3 ASP 46 5.661 21.694 -2.376
291 H CYS 47 H CYS 47 6.000 21.822 -6.491
292 HA CYS 47 HA CYS 47 8.338 20.438 -6.182
293 HB2 CYS 47 HB2 CYS 47 7.177 20.290 -8.247
294 HB3 CYS 47 HB3 CYS 47 7.321 22.021 -8.527
295 H HIS 48 H HIS 48 10.510 20.864 -6.534
296 HA HIS 48 HA HIS 48 11.348 23.667 -6.527
297 HB2 HIS 48 HB2 HIS 48 11.189 22.899 -4.163
298 HB3 HIS 48 HB3 HIS 48 12.322 21.608 -4.527
299 HD1 HIS 48 HD1 HIS 48 14.296 22.283 -3.162
300 HD2 HIS 48 HD2 HIS 48 12.827 25.415 -5.467
301 HE1 HIS 48 HE1 HIS 48 15.955 24.156 -2.900
302 HE2 HIS 48 HE2 HIS 48 14.974 26.078 -4.193
303 H CYS 49 H CYS 49 11.420 21.326 -8.473
304 HA CYS 49 HA CYS 49 14.286 21.502 -8.985
305 HB2 CYS 49 HB2 CYS 49 14.408 19.074 -9.425
306 HB3 CYS 49 HB3 CYS 49 14.092 19.474 -7.738
307 H GLU 50 H GLU 50 14.619 22.113 -10.965
308 HA GLU 50 HA GLU 50 13.195 20.752 -13.135
309 HB2 GLU 50 HB2 GLU 50 12.991 22.751 -14.437
310 HB3 GLU 50 HB3 GLU 50 12.376 23.158 -12.845
311 HG2 GLU 50 HG2 GLU 50 15.121 23.840 -13.885
312 HG3 GLU 50 HG3 GLU 50 13.750 24.941 -13.817
313 H ARG 51 H ARG 51 15.874 21.269 -11.482
314 HA ARG 51 HA ARG 51 17.784 21.415 -13.611
315 HB2 ARG 51 HB2 ARG 51 19.404 21.668 -11.772
316 HB3 ARG 51 HB3 ARG 51 18.150 22.894 -11.721
317 HG2 ARG 51 HG2 ARG 51 17.000 21.543 -9.970
318 HG3 ARG 51 HG3 ARG 51 18.397 20.464 -9.968
319 HD2 ARG 51 HD2 ARG 51 19.837 22.386 -9.417
320 HD3 ARG 51 HD3 ARG 51 18.411 23.411 -9.338
321 HE ARG 51 HE ARG 51 18.664 21.073 -7.575
322 HH11 ARG 51 HH11 ARG 51 18.278 24.542 -7.998
323 HH12 ARG 51 HH12 ARG 51 18.095 24.859 -6.308
324 HH21 ARG 51 HH21 ARG 51 18.426 21.514 -5.297
325 HH22 ARG 51 HH22 ARG 51 18.175 23.146 -4.784
326 H SER 52 H SER 52 19.627 19.953 -13.362
327 HA SER 52 HA SER 52 20.618 18.014 -13.082
328 HB2 SER 52 HB2 SER 52 18.166 17.066 -11.599
329 HB3 SER 52 HB3 SER 52 19.664 16.149 -11.753
330 HG SER 52 HG SER 52 19.047 18.275 -10.112
Start of MODEL 19
1 HA ASN 1 HA ASN 1 5.592 6.525 7.096
2 HB2 ASN 1 HB2 ASN 1 7.074 4.576 6.758
3 HB3 ASN 1 HB3 ASN 1 6.426 4.369 5.135
4 HD21 ASN 1 HD21 ASN 1 8.409 4.659 4.148
5 HD22 ASN 1 HD22 ASN 1 9.197 6.195 4.076
6 H GLU 2 H GLU 2 5.197 8.289 5.948
7 HA GLU 2 HA GLU 2 3.256 8.320 3.887
8 HB2 GLU 2 HB2 GLU 2 3.712 10.219 5.446
9 HB3 GLU 2 HB3 GLU 2 5.242 10.479 4.623
10 HG2 GLU 2 HG2 GLU 2 4.059 10.982 2.554
11 HG3 GLU 2 HG3 GLU 2 2.518 10.691 3.358
12 H LEU 3 H LEU 3 3.529 7.834 1.835
13 HA LEU 3 HA LEU 3 6.136 7.273 0.818
14 HB2 LEU 3 HB2 LEU 3 4.063 5.975 0.264
15 HB3 LEU 3 HB3 LEU 3 3.522 7.347 -0.681
16 HG LEU 3 HG LEU 3 5.452 7.087 -2.177
17 HD11 LEU 3 HD11 LEU 3 6.842 5.060 -2.003
18 HD12 LEU 3 HD12 LEU 3 6.087 4.703 -0.448
19 HD13 LEU 3 HD13 LEU 3 7.063 6.159 -0.642
20 HD21 LEU 3 HD21 LEU 3 3.356 5.955 -2.700
21 HD22 LEU 3 HD22 LEU 3 3.876 4.549 -1.770
22 HD23 LEU 3 HD23 LEU 3 4.743 5.007 -3.237
23 H ARG 4 H ARG 4 7.418 8.825 0.249
24 HA ARG 4 HA ARG 4 6.321 11.124 -1.194
25 HB2 ARG 4 HB2 ARG 4 8.332 12.396 -0.217
26 HB3 ARG 4 HB3 ARG 4 6.983 12.054 0.852
27 HG2 ARG 4 HG2 ARG 4 8.934 11.631 2.100
28 HG3 ARG 4 HG3 ARG 4 8.290 10.050 1.663
29 HD2 ARG 4 HD2 ARG 4 9.886 10.071 -0.285
30 HD3 ARG 4 HD3 ARG 4 10.620 11.503 0.433
31 HE ARG 4 HE ARG 4 10.594 9.642 2.438
32 HH11 ARG 4 HH11 ARG 4 11.925 9.826 -0.799
33 HH12 ARG 4 HH12 ARG 4 13.240 8.737 -0.467
34 HH21 ARG 4 HH21 ARG 4 12.335 8.209 2.885
35 HH22 ARG 4 HH22 ARG 4 13.469 7.825 1.633
36 H CYS 5 H CYS 5 8.108 12.283 -2.461
37 HA CYS 5 HA CYS 5 9.021 10.396 -4.371
38 HB2 CYS 5 HB2 CYS 5 8.192 12.753 -4.796
39 HB3 CYS 5 HB3 CYS 5 9.773 13.305 -4.260
40 H GLY 6 H GLY 6 11.161 10.079 -5.113
41 HA2 GLY 6 HA2 GLY 6 13.065 9.707 -3.013
42 HA3 GLY 6 HA3 GLY 6 13.295 9.376 -4.724
43 H CYS 7 H CYS 7 12.547 12.139 -5.409
44 HA CYS 7 HA CYS 7 15.078 13.276 -5.538
45 HB2 CYS 7 HB2 CYS 7 12.448 13.957 -6.376
46 HB3 CYS 7 HB3 CYS 7 13.114 15.359 -5.552
47 HA PRO 8 HA PRO 8 15.388 14.358 -1.188
48 HB2 PRO 8 HB2 PRO 8 17.890 15.485 -1.395
49 HB3 PRO 8 HB3 PRO 8 17.583 13.758 -1.186
50 HG2 PRO 8 HG2 PRO 8 18.214 15.286 -3.668
51 HG3 PRO 8 HG3 PRO 8 18.759 13.674 -3.173
52 HD2 PRO 8 HD2 PRO 8 16.805 14.050 -4.998
53 HD3 PRO 8 HD3 PRO 8 16.806 12.658 -3.892
54 H ASP 9 H ASP 9 15.836 16.578 -3.880
55 HA ASP 9 HA ASP 9 15.534 18.846 -2.043
56 HB2 ASP 9 HB2 ASP 9 17.371 18.773 -3.830
57 HB3 ASP 9 HB3 ASP 9 16.086 19.042 -5.001
58 H CYS 10 H CYS 10 13.498 16.838 -3.536
59 HA CYS 10 HA CYS 10 11.517 18.946 -3.873
60 HB2 CYS 10 HB2 CYS 10 12.618 18.237 -6.093
61 HB3 CYS 10 HB3 CYS 10 11.695 16.750 -5.907
62 H HIS 11 H HIS 11 9.747 18.460 -2.771
63 HA HIS 11 HA HIS 11 9.261 15.658 -2.053
64 HB2 HIS 11 HB2 HIS 11 8.261 18.220 -0.781
65 HB3 HIS 11 HB3 HIS 11 7.762 16.609 -0.281
66 HD2 HIS 11 HD2 HIS 11 10.996 18.854 -0.177
67 HE1 HIS 11 HE1 HIS 11 11.417 15.684 2.611
68 HE2 HIS 11 HE2 HIS 11 12.255 17.941 1.891
69 H CYS 12 H CYS 12 8.150 14.884 -3.748
70 HA CYS 12 HA CYS 12 5.875 16.391 -4.784
71 HB2 CYS 12 HB2 CYS 12 6.956 13.817 -5.875
72 HB3 CYS 12 HB3 CYS 12 6.042 15.065 -6.710
73 H LYS 13 H LYS 13 3.992 14.979 -5.497
74 HA LYS 13 HA LYS 13 3.098 13.427 -3.218
75 HB2 LYS 13 HB2 LYS 13 1.803 14.801 -5.498
76 HB3 LYS 13 HB3 LYS 13 1.000 13.357 -4.906
77 HG2 LYS 13 HG2 LYS 13 1.807 15.174 -2.777
78 HG3 LYS 13 HG3 LYS 13 0.679 15.894 -3.927
79 HD2 LYS 13 HD2 LYS 13 -0.499 14.812 -2.058
80 HD3 LYS 13 HD3 LYS 13 -0.871 14.037 -3.597
81 HE2 LYS 13 HE2 LYS 13 0.759 12.265 -3.083
82 HE3 LYS 13 HE3 LYS 13 1.099 13.042 -1.534
83 HZ1 LYS 13 HZ1 LYS 13 -1.487 11.879 -2.403
84 HZ2 LYS 13 HZ2 LYS 13 -1.249 12.702 -0.950
85 HZ3 LYS 13 HZ3 LYS 13 -0.443 11.245 -1.234
86 H VAL 14 H VAL 14 3.472 11.348 -3.159
87 HA VAL 14 HA VAL 14 3.566 9.874 -5.696
88 HB VAL 14 HB VAL 14 4.922 9.142 -3.091
89 HG11 VAL 14 HG11 VAL 14 6.072 7.451 -4.433
90 HG12 VAL 14 HG12 VAL 14 5.127 7.927 -5.843
91 HG13 VAL 14 HG13 VAL 14 4.327 7.204 -4.447
92 HG21 VAL 14 HG21 VAL 14 6.078 10.254 -5.637
93 HG22 VAL 14 HG22 VAL 14 7.000 9.717 -4.232
94 HG23 VAL 14 HG23 VAL 14 5.927 11.113 -4.105
95 H ASP 15 H ASP 15 2.289 8.173 -5.955
96 HA ASP 15 HA ASP 15 0.505 7.429 -3.735
97 HB2 ASP 15 HB2 ASP 15 -0.639 8.658 -5.505
98 HB3 ASP 15 HB3 ASP 15 -0.058 7.510 -6.699
99 HA PRO 16 HA PRO 16 2.177 3.326 -3.922
100 HB2 PRO 16 HB2 PRO 16 -0.673 2.503 -3.585
101 HB3 PRO 16 HB3 PRO 16 0.757 1.989 -2.683
102 HG2 PRO 16 HG2 PRO 16 -0.937 3.733 -1.620
103 HG3 PRO 16 HG3 PRO 16 0.813 3.926 -1.405
104 HD2 PRO 16 HD2 PRO 16 -1.058 5.426 -3.182
105 HD3 PRO 16 HD3 PRO 16 0.377 5.998 -2.307
106 H GLU 17 H GLU 17 -0.634 4.137 -5.892
107 HA GLU 17 HA GLU 17 -0.103 1.872 -7.659
108 HB2 GLU 17 HB2 GLU 17 -2.421 2.272 -7.180
109 HB3 GLU 17 HB3 GLU 17 -2.270 3.968 -7.607
110 HG2 GLU 17 HG2 GLU 17 -1.844 3.323 -9.937
111 HG3 GLU 17 HG3 GLU 17 -2.066 1.630 -9.490
112 H ARG 18 H ARG 18 0.343 5.287 -7.446
113 HA ARG 18 HA ARG 18 1.256 5.367 -10.247
114 HB2 ARG 18 HB2 ARG 18 0.228 7.643 -8.559
115 HB3 ARG 18 HB3 ARG 18 0.760 7.752 -10.225
116 HG2 ARG 18 HG2 ARG 18 -1.058 6.417 -10.977
117 HG3 ARG 18 HG3 ARG 18 -1.536 6.049 -9.315
118 HD2 ARG 18 HD2 ARG 18 -2.001 8.379 -8.919
119 HD3 ARG 18 HD3 ARG 18 -1.492 8.778 -10.558
120 HE ARG 18 HE ARG 18 -3.411 7.112 -11.146
121 HH11 ARG 18 HH11 ARG 18 -3.410 9.530 -8.594
122 HH12 ARG 18 HH12 ARG 18 -5.125 9.744 -8.615
123 HH21 ARG 18 HH21 ARG 18 -5.690 7.413 -11.194
124 HH22 ARG 18 HH22 ARG 18 -6.427 8.531 -10.097
125 H VAL 19 H VAL 19 3.042 4.392 -8.824
126 HA VAL 19 HA VAL 19 4.896 6.563 -8.156
127 HB VAL 19 HB VAL 19 4.369 5.574 -6.068
128 HG11 VAL 19 HG11 VAL 19 4.540 3.151 -5.639
129 HG12 VAL 19 HG12 VAL 19 4.808 2.891 -7.366
130 HG13 VAL 19 HG13 VAL 19 3.276 3.566 -6.798
131 HG21 VAL 19 HG21 VAL 19 6.945 4.374 -7.055
132 HG22 VAL 19 HG22 VAL 19 6.467 4.512 -5.363
133 HG23 VAL 19 HG23 VAL 19 6.727 5.967 -6.325
134 H PHE 20 H PHE 20 6.870 6.487 -9.040
135 HA PHE 20 HA PHE 20 7.512 4.209 -10.767
136 HB2 PHE 20 HB2 PHE 20 8.391 7.086 -10.738
137 HB3 PHE 20 HB3 PHE 20 9.304 5.869 -11.615
138 HD1 PHE 20 HD1 PHE 20 6.366 7.943 -11.557
139 HD2 PHE 20 HD2 PHE 20 8.239 4.688 -13.528
140 HE1 PHE 20 HE1 PHE 20 4.833 8.229 -13.462
141 HE2 PHE 20 HE2 PHE 20 6.722 4.963 -15.442
142 HZ PHE 20 HZ PHE 20 5.013 6.739 -15.410
143 H ASN 21 H ASN 21 8.786 2.755 -9.815
144 HA ASN 21 HA ASN 21 10.509 3.566 -7.625
145 HB2 ASN 21 HB2 ASN 21 10.915 1.190 -7.279
146 HB3 ASN 21 HB3 ASN 21 9.187 1.479 -7.439
147 HD21 ASN 21 HD21 ASN 21 11.993 0.013 -8.846
148 HD22 ASN 21 HD22 ASN 21 11.162 -0.869 -10.080
149 H HIS 22 H HIS 22 12.672 3.677 -7.675
150 HA HIS 22 HA HIS 22 14.220 2.449 -9.736
151 HB2 HIS 22 HB2 HIS 22 13.442 4.428 -10.980
152 HB3 HIS 22 HB3 HIS 22 14.055 5.478 -9.711
153 HD2 HIS 22 HD2 HIS 22 16.686 6.184 -9.980
154 HE1 HIS 22 HE1 HIS 22 17.643 3.516 -13.130
155 HE2 HIS 22 HE2 HIS 22 18.354 5.558 -11.852
156 H ASP 23 H ASP 23 16.263 2.122 -9.089
157 HA ASP 23 HA ASP 23 18.092 2.010 -7.761
158 HB2 ASP 23 HB2 ASP 23 18.158 4.475 -8.376
159 HB3 ASP 23 HB3 ASP 23 17.399 4.806 -6.825
160 H GLY 24 H GLY 24 15.295 1.453 -6.725
161 HA2 GLY 24 HA2 GLY 24 14.733 0.234 -4.816
162 HA3 GLY 24 HA3 GLY 24 16.156 0.873 -4.014
163 H GLU 25 H GLU 25 14.535 3.415 -5.436
164 HA GLU 25 HA GLU 25 13.004 3.878 -2.978
165 HB2 GLU 25 HB2 GLU 25 15.103 5.243 -3.172
166 HB3 GLU 25 HB3 GLU 25 14.413 5.998 -4.599
167 HG2 GLU 25 HG2 GLU 25 12.779 7.112 -3.378
168 HG3 GLU 25 HG3 GLU 25 12.959 6.046 -1.987
169 H ALA 26 H ALA 26 11.273 5.534 -3.278
170 HA ALA 26 HA ALA 26 9.801 4.900 -5.726
171 HB1 ALA 26 HB1 ALA 26 8.708 4.303 -3.648
172 HB2 ALA 26 HB2 ALA 26 7.823 5.610 -4.437
173 HB3 ALA 26 HB3 ALA 26 8.869 5.957 -3.061
174 H TYR 27 H TYR 27 8.917 6.491 -7.020
175 HA TYR 27 HA TYR 27 9.524 9.289 -6.357
176 HB2 TYR 27 HB2 TYR 27 9.980 7.956 -9.033
177 HB3 TYR 27 HB3 TYR 27 10.118 9.680 -8.728
178 HD1 TYR 27 HD1 TYR 27 11.700 6.414 -8.336
179 HD2 TYR 27 HD2 TYR 27 12.016 10.564 -7.471
180 HE1 TYR 27 HE1 TYR 27 14.082 6.120 -7.799
181 HE2 TYR 27 HE2 TYR 27 14.394 10.278 -6.941
182 HH TYR 27 HH TYR 27 15.897 8.451 -6.189
183 H CYS 28 H CYS 28 8.174 10.818 -7.536
184 HA CYS 28 HA CYS 28 5.452 9.930 -7.714
185 HB2 CYS 28 HB2 CYS 28 4.993 12.268 -8.295
186 HB3 CYS 28 HB3 CYS 28 6.055 12.161 -6.892
187 H SER 29 H SER 29 7.903 11.019 -9.975
188 HA SER 29 HA SER 29 6.413 9.815 -12.173
189 HB2 SER 29 HB2 SER 29 5.882 12.234 -12.170
190 HB3 SER 29 HB3 SER 29 7.602 12.602 -12.223
191 HG SER 29 HG SER 29 6.033 12.250 -14.266
192 H GLN 30 H GLN 30 7.825 9.709 -14.131
193 HA GLN 30 HA GLN 30 10.238 8.417 -13.525
194 HB2 GLN 30 HB2 GLN 30 10.602 8.352 -15.939
195 HB3 GLN 30 HB3 GLN 30 8.948 7.916 -15.538
196 HG2 GLN 30 HG2 GLN 30 9.128 10.731 -15.991
197 HG3 GLN 30 HG3 GLN 30 9.817 9.856 -17.360
198 HE21 GLN 30 HE21 GLN 30 6.960 10.623 -15.575
199 HE22 GLN 30 HE22 GLN 30 5.840 9.883 -16.660
200 H ALA 31 H ALA 31 9.458 11.743 -14.026
201 HA ALA 31 HA ALA 31 11.858 12.770 -14.998
202 HB1 ALA 31 HB1 ALA 31 9.801 14.091 -14.806
203 HB2 ALA 31 HB2 ALA 31 11.159 14.900 -14.023
204 HB3 ALA 31 HB3 ALA 31 9.950 14.066 -13.049
205 H CYS 32 H CYS 32 10.827 12.684 -11.573
206 HA CYS 32 HA CYS 32 13.401 13.317 -10.595
207 HB2 CYS 32 HB2 CYS 32 11.087 12.004 -9.146
208 HB3 CYS 32 HB3 CYS 32 12.466 12.789 -8.387
209 H ALA 33 H ALA 33 11.761 10.346 -11.350
210 HA ALA 33 HA ALA 33 13.353 8.529 -9.906
211 HB1 ALA 33 HB1 ALA 33 12.422 6.810 -11.327
212 HB2 ALA 33 HB2 ALA 33 11.915 8.015 -12.507
213 HB3 ALA 33 HB3 ALA 33 11.162 7.974 -10.912
214 H GLU 34 H GLU 34 13.569 9.661 -13.230
215 HA GLU 34 HA GLU 34 15.969 8.152 -13.781
216 HB2 GLU 34 HB2 GLU 34 14.526 10.275 -15.375
217 HB3 GLU 34 HB3 GLU 34 15.904 9.355 -15.960
218 HG2 GLU 34 HG2 GLU 34 13.255 8.183 -15.144
219 HG3 GLU 34 HG3 GLU 34 13.756 8.516 -16.800
220 H GLN 35 H GLN 35 15.512 10.690 -11.892
221 HA GLN 35 HA GLN 35 16.763 12.344 -11.030
222 HB2 GLN 35 HB2 GLN 35 18.951 10.856 -12.474
223 HB3 GLN 35 HB3 GLN 35 19.259 12.253 -11.450
224 HG2 GLN 35 HG2 GLN 35 18.313 11.089 -9.540
225 HG3 GLN 35 HG3 GLN 35 17.942 9.698 -10.558
226 HE21 GLN 35 HE21 GLN 35 19.203 8.361 -9.279
227 HE22 GLN 35 HE22 GLN 35 20.928 8.400 -9.327
228 H HIS 36 H HIS 36 15.489 12.549 -13.668
229 HA HIS 36 HA HIS 36 15.151 14.067 -15.306
230 HB2 HIS 36 HB2 HIS 36 16.850 15.940 -13.637
231 HB3 HIS 36 HB3 HIS 36 15.635 16.390 -14.828
232 HD1 HIS 36 HD1 HIS 36 13.367 16.903 -13.874
233 HD2 HIS 36 HD2 HIS 36 15.605 14.449 -11.374
234 HE1 HIS 36 HE1 HIS 36 11.985 16.585 -11.804
235 HA PRO 37 HA PRO 37 19.203 13.337 -17.326
236 HB2 PRO 37 HB2 PRO 37 18.268 11.963 -19.436
237 HB3 PRO 37 HB3 PRO 37 18.543 11.189 -17.871
238 HG2 PRO 37 HG2 PRO 37 15.981 12.142 -19.087
239 HG3 PRO 37 HG3 PRO 37 16.305 10.654 -18.181
240 HD2 PRO 37 HD2 PRO 37 15.141 12.884 -17.089
241 HD3 PRO 37 HD3 PRO 37 16.066 11.693 -16.155
242 H ASN 38 H ASN 38 16.148 14.608 -18.453
243 HA ASN 38 HA ASN 38 17.489 16.035 -20.658
244 HB2 ASN 38 HB2 ASN 38 15.477 14.725 -21.234
245 HB3 ASN 38 HB3 ASN 38 14.541 15.653 -20.072
246 HD21 ASN 38 HD21 ASN 38 16.983 16.992 -22.200
247 HD22 ASN 38 HD22 ASN 38 15.895 17.927 -23.155
248 H GLY 39 H GLY 39 15.891 16.415 -17.623
249 HA2 GLY 39 HA2 GLY 39 16.240 18.358 -16.265
250 HA3 GLY 39 HA3 GLY 39 16.388 19.316 -17.739
251 H GLU 40 H GLU 40 14.005 16.875 -17.406
252 HA GLU 40 HA GLU 40 11.883 18.731 -17.905
253 HB2 GLU 40 HB2 GLU 40 10.456 16.682 -17.832
254 HB3 GLU 40 HB3 GLU 40 11.775 16.593 -18.988
255 HG2 GLU 40 HG2 GLU 40 12.074 15.430 -16.242
256 HG3 GLU 40 HG3 GLU 40 11.237 14.540 -17.510
257 HA PRO 41 HA PRO 41 10.794 19.218 -13.625
258 HB2 PRO 41 HB2 PRO 41 8.495 20.559 -13.930
259 HB3 PRO 41 HB3 PRO 41 10.052 21.296 -14.327
260 HG2 PRO 41 HG2 PRO 41 7.989 20.128 -16.142
261 HG3 PRO 41 HG3 PRO 41 8.990 21.572 -16.365
262 HD2 PRO 41 HD2 PRO 41 9.510 19.094 -17.490
263 HD3 PRO 41 HD3 PRO 41 10.719 20.369 -17.241
264 H CYS 42 H CYS 42 9.412 18.313 -12.078
265 HA CYS 42 HA CYS 42 7.766 16.112 -13.028
266 HB2 CYS 42 HB2 CYS 42 7.776 15.427 -10.647
267 HB3 CYS 42 HB3 CYS 42 9.402 15.655 -11.275
268 HA PRO 43 HA PRO 43 3.917 18.191 -12.229
269 HB2 PRO 43 HB2 PRO 43 2.297 16.151 -11.536
270 HB3 PRO 43 HB3 PRO 43 2.929 16.328 -13.177
271 HG2 PRO 43 HG2 PRO 43 3.902 14.570 -10.955
272 HG3 PRO 43 HG3 PRO 43 3.658 14.175 -12.666
273 HD2 PRO 43 HD2 PRO 43 6.096 14.755 -11.631
274 HD3 PRO 43 HD3 PRO 43 5.647 15.140 -13.302
275 H ALA 44 H ALA 44 5.694 18.372 -9.991
276 HA ALA 44 HA ALA 44 3.897 17.954 -7.705
277 HB1 ALA 44 HB1 ALA 44 6.124 16.950 -7.517
278 HB2 ALA 44 HB2 ALA 44 5.850 18.191 -6.295
279 HB3 ALA 44 HB3 ALA 44 6.850 18.546 -7.704
280 HA PRO 45 HA PRO 45 3.207 22.355 -7.580
281 HB2 PRO 45 HB2 PRO 45 2.148 22.505 -5.090
282 HB3 PRO 45 HB3 PRO 45 1.250 21.830 -6.455
283 HG2 PRO 45 HG2 PRO 45 2.802 20.397 -4.325
284 HG3 PRO 45 HG3 PRO 45 1.171 20.043 -4.936
285 HD2 PRO 45 HD2 PRO 45 3.330 18.669 -5.756
286 HD3 PRO 45 HD3 PRO 45 1.989 19.042 -6.862
287 H ASP 46 H ASP 46 5.031 20.595 -5.193
288 HA ASP 46 HA ASP 46 6.311 23.058 -4.233
289 HB2 ASP 46 HB2 ASP 46 5.291 21.485 -2.556
290 HB3 ASP 46 HB3 ASP 46 6.455 20.266 -3.057
291 H CYS 47 H CYS 47 6.774 21.636 -6.796
292 HA CYS 47 HA CYS 47 9.175 20.211 -6.765
293 HB2 CYS 47 HB2 CYS 47 7.783 20.114 -8.707
294 HB3 CYS 47 HB3 CYS 47 7.905 21.854 -8.945
295 H HIS 48 H HIS 48 11.258 20.742 -7.049
296 HA HIS 48 HA HIS 48 11.965 23.585 -7.230
297 HB2 HIS 48 HB2 HIS 48 13.081 21.616 -5.222
298 HB3 HIS 48 HB3 HIS 48 13.835 23.162 -5.587
299 HD1 HIS 48 HD1 HIS 48 11.915 21.784 -3.056
300 HD2 HIS 48 HD2 HIS 48 11.528 25.268 -5.288
301 HE1 HIS 48 HE1 HIS 48 10.458 23.304 -1.691
302 HE2 HIS 48 HE2 HIS 48 10.048 25.294 -3.175
303 H CYS 49 H CYS 49 12.391 20.395 -8.245
304 HA CYS 49 HA CYS 49 15.099 20.758 -9.209
305 HB2 CYS 49 HB2 CYS 49 14.687 18.401 -10.092
306 HB3 CYS 49 HB3 CYS 49 14.694 18.604 -8.341
307 H GLU 50 H GLU 50 12.711 22.256 -10.226
308 HA GLU 50 HA GLU 50 12.596 21.418 -13.003
309 HB2 GLU 50 HB2 GLU 50 10.920 23.124 -13.253
310 HB3 GLU 50 HB3 GLU 50 10.592 22.200 -11.793
311 HG2 GLU 50 HG2 GLU 50 11.505 23.968 -10.419
312 HG3 GLU 50 HG3 GLU 50 11.938 24.891 -11.858
313 H ARG 51 H ARG 51 14.860 22.829 -11.321
314 HA ARG 51 HA ARG 51 15.350 25.131 -12.978
315 HB2 ARG 51 HB2 ARG 51 17.134 25.643 -11.368
316 HB3 ARG 51 HB3 ARG 51 15.593 25.428 -10.555
317 HG2 ARG 51 HG2 ARG 51 16.293 23.118 -9.965
318 HG3 ARG 51 HG3 ARG 51 17.873 23.464 -10.668
319 HD2 ARG 51 HD2 ARG 51 18.080 25.375 -9.077
320 HD3 ARG 51 HD3 ARG 51 16.583 24.838 -8.318
321 HE ARG 51 HE ARG 51 19.141 23.398 -8.317
322 HH11 ARG 51 HH11 ARG 51 15.885 23.780 -7.054
323 HH12 ARG 51 HH12 ARG 51 16.138 22.658 -5.746
324 HH21 ARG 51 HH21 ARG 51 19.459 21.943 -6.576
325 HH22 ARG 51 HH22 ARG 51 18.159 21.638 -5.473
326 H SER 52 H SER 52 16.684 25.046 -14.566
327 HA SER 52 HA SER 52 18.065 24.299 -16.110
328 HB2 SER 52 HB2 SER 52 19.532 22.906 -13.871
329 HB3 SER 52 HB3 SER 52 20.207 23.395 -15.424
330 HG SER 52 HG SER 52 20.207 24.780 -13.244
Start of MODEL 20
1 HA ASN 1 HA ASN 1 5.437 5.818 7.127
2 HB2 ASN 1 HB2 ASN 1 7.426 6.391 5.818
3 HB3 ASN 1 HB3 ASN 1 7.651 4.851 6.638
4 HD21 ASN 1 HD21 ASN 1 7.307 6.449 3.579
5 HD22 ASN 1 HD22 ASN 1 7.695 5.082 2.599
6 H GLU 2 H GLU 2 5.429 7.807 5.761
7 HA GLU 2 HA GLU 2 3.313 7.659 3.818
8 HB2 GLU 2 HB2 GLU 2 3.443 9.561 5.375
9 HB3 GLU 2 HB3 GLU 2 5.014 9.998 4.722
10 HG2 GLU 2 HG2 GLU 2 4.023 10.520 2.583
11 HG3 GLU 2 HG3 GLU 2 2.447 9.976 3.152
12 H LEU 3 H LEU 3 3.527 7.794 1.634
13 HA LEU 3 HA LEU 3 6.210 7.348 0.656
14 HB2 LEU 3 HB2 LEU 3 4.301 5.911 -0.033
15 HB3 LEU 3 HB3 LEU 3 3.632 7.284 -0.892
16 HG LEU 3 HG LEU 3 5.474 7.311 -2.428
17 HD11 LEU 3 HD11 LEU 3 7.280 6.790 -0.916
18 HD12 LEU 3 HD12 LEU 3 7.295 5.652 -2.265
19 HD13 LEU 3 HD13 LEU 3 6.666 5.151 -0.696
20 HD21 LEU 3 HD21 LEU 3 5.234 5.111 -3.466
21 HD22 LEU 3 HD22 LEU 3 3.679 5.726 -2.904
22 HD23 LEU 3 HD23 LEU 3 4.523 4.484 -1.980
23 H ARG 4 H ARG 4 7.420 8.890 -0.014
24 HA ARG 4 HA ARG 4 6.216 11.230 -1.291
25 HB2 ARG 4 HB2 ARG 4 8.006 12.590 -0.187
26 HB3 ARG 4 HB3 ARG 4 6.794 11.940 0.905
27 HG2 ARG 4 HG2 ARG 4 8.495 10.008 1.230
28 HG3 ARG 4 HG3 ARG 4 9.656 11.174 0.588
29 HD2 ARG 4 HD2 ARG 4 9.017 12.768 2.309
30 HD3 ARG 4 HD3 ARG 4 7.819 11.621 2.914
31 HE ARG 4 HE ARG 4 10.510 10.611 2.868
32 HH11 ARG 4 HH11 ARG 4 8.111 12.361 4.717
33 HH12 ARG 4 HH12 ARG 4 8.815 11.988 6.251
34 HH21 ARG 4 HH21 ARG 4 11.471 10.115 4.907
35 HH22 ARG 4 HH22 ARG 4 10.729 10.699 6.359
36 H CYS 5 H CYS 5 8.020 12.523 -2.439
37 HA CYS 5 HA CYS 5 9.097 10.684 -4.341
38 HB2 CYS 5 HB2 CYS 5 8.077 12.903 -4.878
39 HB3 CYS 5 HB3 CYS 5 9.529 13.659 -4.230
40 H GLY 6 H GLY 6 11.238 10.421 -4.968
41 HA2 GLY 6 HA2 GLY 6 13.113 10.439 -2.778
42 HA3 GLY 6 HA3 GLY 6 13.344 9.776 -4.388
43 H CYS 7 H CYS 7 12.475 12.440 -5.501
44 HA CYS 7 HA CYS 7 14.981 13.504 -6.051
45 HB2 CYS 7 HB2 CYS 7 12.494 14.041 -6.978
46 HB3 CYS 7 HB3 CYS 7 12.719 15.435 -5.941
47 HA PRO 8 HA PRO 8 15.685 15.115 -1.915
48 HB2 PRO 8 HB2 PRO 8 18.288 15.768 -2.285
49 HB3 PRO 8 HB3 PRO 8 17.745 14.110 -2.003
50 HG2 PRO 8 HG2 PRO 8 18.443 15.464 -4.575
51 HG3 PRO 8 HG3 PRO 8 18.859 13.832 -4.026
52 HD2 PRO 8 HD2 PRO 8 16.839 14.329 -5.764
53 HD3 PRO 8 HD3 PRO 8 16.795 12.976 -4.609
54 H ASP 9 H ASP 9 15.598 16.757 -4.843
55 HA ASP 9 HA ASP 9 16.119 19.320 -3.513
56 HB2 ASP 9 HB2 ASP 9 17.484 18.675 -5.563
57 HB3 ASP 9 HB3 ASP 9 16.004 18.873 -6.494
58 H CYS 10 H CYS 10 13.591 17.363 -4.258
59 HA CYS 10 HA CYS 10 11.764 19.629 -4.375
60 HB2 CYS 10 HB2 CYS 10 12.171 18.840 -6.722
61 HB3 CYS 10 HB3 CYS 10 11.497 17.282 -6.261
62 H HIS 11 H HIS 11 9.610 19.121 -3.699
63 HA HIS 11 HA HIS 11 9.388 16.593 -2.224
64 HB2 HIS 11 HB2 HIS 11 9.612 18.532 -0.702
65 HB3 HIS 11 HB3 HIS 11 8.207 19.276 -1.455
66 HD2 HIS 11 HD2 HIS 11 5.732 17.928 -0.880
67 HE1 HIS 11 HE1 HIS 11 7.310 15.845 2.454
68 HE2 HIS 11 HE2 HIS 11 5.264 16.303 1.063
69 H CYS 12 H CYS 12 8.066 15.348 -3.408
70 HA CYS 12 HA CYS 12 5.648 16.601 -4.544
71 HB2 CYS 12 HB2 CYS 12 6.758 14.049 -5.610
72 HB3 CYS 12 HB3 CYS 12 5.808 15.280 -6.420
73 H LYS 13 H LYS 13 3.749 15.341 -4.579
74 HA LYS 13 HA LYS 13 3.538 13.414 -2.439
75 HB2 LYS 13 HB2 LYS 13 1.141 13.402 -2.997
76 HB3 LYS 13 HB3 LYS 13 1.739 15.022 -2.689
77 HG2 LYS 13 HG2 LYS 13 1.774 15.503 -5.055
78 HG3 LYS 13 HG3 LYS 13 1.296 13.843 -5.425
79 HD2 LYS 13 HD2 LYS 13 -0.336 15.754 -3.773
80 HD3 LYS 13 HD3 LYS 13 -0.579 15.491 -5.504
81 HE2 LYS 13 HE2 LYS 13 -1.052 13.124 -5.074
82 HE3 LYS 13 HE3 LYS 13 -0.770 13.375 -3.355
83 HZ1 LYS 13 HZ1 LYS 13 -2.650 14.878 -3.289
84 HZ2 LYS 13 HZ2 LYS 13 -3.118 13.368 -3.880
85 HZ3 LYS 13 HZ3 LYS 13 -2.921 14.659 -4.944
86 H VAL 14 H VAL 14 3.326 11.224 -2.745
87 HA VAL 14 HA VAL 14 3.555 10.357 -5.537
88 HB VAL 14 HB VAL 14 4.889 9.140 -3.122
89 HG11 VAL 14 HG11 VAL 14 5.932 7.598 -4.704
90 HG12 VAL 14 HG12 VAL 14 4.966 8.283 -6.012
91 HG13 VAL 14 HG13 VAL 14 4.179 7.417 -4.691
92 HG21 VAL 14 HG21 VAL 14 5.944 11.187 -3.911
93 HG22 VAL 14 HG22 VAL 14 6.023 10.524 -5.544
94 HG23 VAL 14 HG23 VAL 14 6.956 9.783 -4.244
95 H ASP 15 H ASP 15 2.193 8.964 -6.261
96 HA ASP 15 HA ASP 15 0.116 7.899 -4.553
97 HB2 ASP 15 HB2 ASP 15 -0.373 8.878 -6.776
98 HB3 ASP 15 HB3 ASP 15 0.571 7.597 -7.519
99 HA PRO 16 HA PRO 16 2.373 4.135 -3.825
100 HB2 PRO 16 HB2 PRO 16 -0.315 3.003 -3.296
101 HB3 PRO 16 HB3 PRO 16 1.110 3.058 -2.253
102 HG2 PRO 16 HG2 PRO 16 -0.974 4.650 -1.799
103 HG3 PRO 16 HG3 PRO 16 0.686 5.222 -1.560
104 HD2 PRO 16 HD2 PRO 16 -1.197 5.759 -3.818
105 HD3 PRO 16 HD3 PRO 16 -0.063 6.854 -3.000
106 H GLU 17 H GLU 17 -0.303 4.318 -6.069
107 HA GLU 17 HA GLU 17 0.447 1.689 -7.149
108 HB2 GLU 17 HB2 GLU 17 -1.949 2.111 -6.555
109 HB3 GLU 17 HB3 GLU 17 -1.993 3.346 -7.804
110 HG2 GLU 17 HG2 GLU 17 -2.958 1.224 -8.547
111 HG3 GLU 17 HG3 GLU 17 -1.557 1.696 -9.508
112 H ARG 18 H ARG 18 0.672 5.030 -7.731
113 HA ARG 18 HA ARG 18 1.468 4.534 -10.535
114 HB2 ARG 18 HB2 ARG 18 0.288 7.037 -9.317
115 HB3 ARG 18 HB3 ARG 18 0.827 6.880 -10.982
116 HG2 ARG 18 HG2 ARG 18 -0.994 5.705 -11.607
117 HG3 ARG 18 HG3 ARG 18 -1.134 4.883 -10.052
118 HD2 ARG 18 HD2 ARG 18 -3.013 6.382 -10.409
119 HD3 ARG 18 HD3 ARG 18 -2.020 6.914 -9.052
120 HE ARG 18 HE ARG 18 -1.613 8.122 -11.693
121 HH11 ARG 18 HH11 ARG 18 -2.648 8.447 -8.334
122 HH12 ARG 18 HH12 ARG 18 -2.735 10.172 -8.413
123 HH21 ARG 18 HH21 ARG 18 -1.736 10.400 -11.774
124 HH22 ARG 18 HH22 ARG 18 -2.220 11.287 -10.368
125 H VAL 19 H VAL 19 3.180 4.182 -8.385
126 HA VAL 19 HA VAL 19 4.938 6.525 -8.402
127 HB VAL 19 HB VAL 19 4.524 5.820 -6.176
128 HG11 VAL 19 HG11 VAL 19 3.608 3.634 -6.605
129 HG12 VAL 19 HG12 VAL 19 4.882 3.519 -5.389
130 HG13 VAL 19 HG13 VAL 19 5.200 3.019 -7.052
131 HG21 VAL 19 HG21 VAL 19 6.850 6.362 -6.542
132 HG22 VAL 19 HG22 VAL 19 7.191 4.696 -7.017
133 HG23 VAL 19 HG23 VAL 19 6.715 5.061 -5.357
134 H PHE 20 H PHE 20 6.942 6.498 -9.263
135 HA PHE 20 HA PHE 20 7.730 4.131 -10.779
136 HB2 PHE 20 HB2 PHE 20 8.541 7.022 -10.871
137 HB3 PHE 20 HB3 PHE 20 9.540 5.788 -11.621
138 HD1 PHE 20 HD1 PHE 20 6.624 7.832 -11.913
139 HD2 PHE 20 HD2 PHE 20 8.545 4.378 -13.448
140 HE1 PHE 20 HE1 PHE 20 5.197 7.943 -13.913
141 HE2 PHE 20 HE2 PHE 20 7.133 4.477 -15.457
142 HZ PHE 20 HZ PHE 20 5.452 6.265 -15.691
143 H ASN 21 H ASN 21 9.291 2.821 -10.053
144 HA ASN 21 HA ASN 21 10.847 3.743 -7.754
145 HB2 ASN 21 HB2 ASN 21 11.309 1.419 -7.240
146 HB3 ASN 21 HB3 ASN 21 9.580 1.623 -7.472
147 HD21 ASN 21 HD21 ASN 21 12.500 0.238 -8.733
148 HD22 ASN 21 HD22 ASN 21 11.748 -0.794 -9.894
149 H HIS 22 H HIS 22 12.988 3.891 -7.748
150 HA HIS 22 HA HIS 22 14.601 2.757 -9.858
151 HB2 HIS 22 HB2 HIS 22 14.017 4.777 -11.009
152 HB3 HIS 22 HB3 HIS 22 14.232 5.752 -9.566
153 HD2 HIS 22 HD2 HIS 22 16.861 6.556 -9.056
154 HE1 HIS 22 HE1 HIS 22 18.534 4.896 -12.574
155 HE2 HIS 22 HE2 HIS 22 18.952 6.333 -10.557
156 H ASP 23 H ASP 23 16.476 2.117 -9.007
157 HA ASP 23 HA ASP 23 18.199 1.798 -7.562
158 HB2 ASP 23 HB2 ASP 23 18.711 4.175 -8.072
159 HB3 ASP 23 HB3 ASP 23 17.667 4.679 -6.752
160 H GLY 24 H GLY 24 15.312 1.463 -6.783
161 HA2 GLY 24 HA2 GLY 24 14.343 0.424 -4.940
162 HA3 GLY 24 HA3 GLY 24 15.789 0.789 -4.009
163 H GLU 25 H GLU 25 14.866 3.521 -5.566
164 HA GLU 25 HA GLU 25 13.580 4.569 -3.156
165 HB2 GLU 25 HB2 GLU 25 15.752 5.530 -4.189
166 HB3 GLU 25 HB3 GLU 25 14.694 6.164 -5.439
167 HG2 GLU 25 HG2 GLU 25 13.617 7.608 -3.964
168 HG3 GLU 25 HG3 GLU 25 14.236 6.760 -2.545
169 H ALA 26 H ALA 26 11.787 6.027 -3.450
170 HA ALA 26 HA ALA 26 10.124 5.223 -5.736
171 HB1 ALA 26 HB1 ALA 26 9.315 6.289 -3.037
172 HB2 ALA 26 HB2 ALA 26 9.238 4.605 -3.557
173 HB3 ALA 26 HB3 ALA 26 8.213 5.816 -4.327
174 H TYR 27 H TYR 27 9.079 6.733 -6.982
175 HA TYR 27 HA TYR 27 9.592 9.559 -6.393
176 HB2 TYR 27 HB2 TYR 27 10.079 8.235 -9.063
177 HB3 TYR 27 HB3 TYR 27 10.183 9.961 -8.743
178 HD1 TYR 27 HD1 TYR 27 11.822 6.730 -8.383
179 HD2 TYR 27 HD2 TYR 27 12.039 10.867 -7.432
180 HE1 TYR 27 HE1 TYR 27 14.192 6.469 -7.787
181 HE2 TYR 27 HE2 TYR 27 14.406 10.613 -6.845
182 HH TYR 27 HH TYR 27 15.876 8.669 -6.010
183 H CYS 28 H CYS 28 8.175 11.014 -7.460
184 HA CYS 28 HA CYS 28 5.490 10.101 -7.615
185 HB2 CYS 28 HB2 CYS 28 5.012 12.427 -8.260
186 HB3 CYS 28 HB3 CYS 28 6.075 12.349 -6.857
187 H SER 29 H SER 29 7.957 10.963 -9.942
188 HA SER 29 HA SER 29 6.421 9.735 -12.072
189 HB2 SER 29 HB2 SER 29 6.832 11.695 -13.550
190 HB3 SER 29 HB3 SER 29 5.749 12.060 -12.205
191 HG SER 29 HG SER 29 7.516 13.005 -11.114
192 H GLN 30 H GLN 30 7.819 9.811 -14.128
193 HA GLN 30 HA GLN 30 10.285 8.553 -13.603
194 HB2 GLN 30 HB2 GLN 30 10.549 8.470 -16.005
195 HB3 GLN 30 HB3 GLN 30 8.885 8.092 -15.590
196 HG2 GLN 30 HG2 GLN 30 9.831 10.786 -16.523
197 HG3 GLN 30 HG3 GLN 30 9.143 9.555 -17.579
198 HE21 GLN 30 HE21 GLN 30 8.216 12.271 -17.015
199 HE22 GLN 30 HE22 GLN 30 6.606 12.094 -16.394
200 H ALA 31 H ALA 31 9.373 11.850 -14.077
201 HA ALA 31 HA ALA 31 11.737 12.940 -15.076
202 HB1 ALA 31 HB1 ALA 31 9.738 14.220 -13.216
203 HB2 ALA 31 HB2 ALA 31 9.612 14.154 -14.973
204 HB3 ALA 31 HB3 ALA 31 10.918 15.067 -14.217
205 H CYS 32 H CYS 32 10.643 12.940 -11.673
206 HA CYS 32 HA CYS 32 13.134 13.776 -10.641
207 HB2 CYS 32 HB2 CYS 32 10.810 12.365 -9.331
208 HB3 CYS 32 HB3 CYS 32 12.191 12.995 -8.452
209 H ALA 33 H ALA 33 11.845 10.686 -11.464
210 HA ALA 33 HA ALA 33 13.478 9.042 -9.850
211 HB1 ALA 33 HB1 ALA 33 12.787 7.215 -11.299
212 HB2 ALA 33 HB2 ALA 33 12.196 8.364 -12.497
213 HB3 ALA 33 HB3 ALA 33 11.412 8.253 -10.922
214 H GLU 34 H GLU 34 13.759 10.056 -13.204
215 HA GLU 34 HA GLU 34 16.358 8.791 -13.471
216 HB2 GLU 34 HB2 GLU 34 14.526 10.183 -15.400
217 HB3 GLU 34 HB3 GLU 34 16.165 9.731 -15.843
218 HG2 GLU 34 HG2 GLU 34 14.141 7.773 -14.801
219 HG3 GLU 34 HG3 GLU 34 14.367 8.120 -16.514
220 H GLN 35 H GLN 35 15.609 11.420 -11.944
221 HA GLN 35 HA GLN 35 16.706 13.291 -11.307
222 HB2 GLN 35 HB2 GLN 35 18.974 12.115 -12.925
223 HB3 GLN 35 HB3 GLN 35 19.127 13.521 -11.882
224 HG2 GLN 35 HG2 GLN 35 18.477 12.144 -9.957
225 HG3 GLN 35 HG3 GLN 35 18.381 10.739 -11.015
226 HE21 GLN 35 HE21 GLN 35 20.062 11.260 -8.683
227 HE22 GLN 35 HE22 GLN 35 21.691 11.057 -9.224
228 H HIS 36 H HIS 36 15.185 13.112 -13.830
229 HA HIS 36 HA HIS 36 14.471 14.455 -15.509
230 HB2 HIS 36 HB2 HIS 36 16.023 16.658 -14.136
231 HB3 HIS 36 HB3 HIS 36 14.669 16.849 -15.241
232 HD1 HIS 36 HD1 HIS 36 12.439 17.109 -14.146
233 HD2 HIS 36 HD2 HIS 36 15.195 15.244 -11.662
234 HE1 HIS 36 HE1 HIS 36 11.312 16.882 -11.915
235 HA PRO 37 HA PRO 37 18.454 14.447 -17.857
236 HB2 PRO 37 HB2 PRO 37 18.045 12.312 -19.413
237 HB3 PRO 37 HB3 PRO 37 18.618 12.126 -17.752
238 HG2 PRO 37 HG2 PRO 37 15.872 11.737 -18.863
239 HG3 PRO 37 HG3 PRO 37 16.733 10.785 -17.642
240 HD2 PRO 37 HD2 PRO 37 14.833 12.735 -17.094
241 HD3 PRO 37 HD3 PRO 37 16.054 12.155 -15.945
242 H ASN 38 H ASN 38 15.118 14.397 -18.523
243 HA ASN 38 HA ASN 38 15.352 15.145 -21.339
244 HB2 ASN 38 HB2 ASN 38 13.610 13.570 -20.669
245 HB3 ASN 38 HB3 ASN 38 12.942 14.767 -19.562
246 HD21 ASN 38 HD21 ASN 38 13.558 14.014 -22.897
247 HD22 ASN 38 HD22 ASN 38 12.360 15.062 -23.549
248 H GLY 39 H GLY 39 15.017 16.614 -18.249
249 HA2 GLY 39 HA2 GLY 39 15.197 18.941 -17.843
250 HA3 GLY 39 HA3 GLY 39 14.693 19.243 -19.502
251 H GLU 40 H GLU 40 12.794 16.903 -18.482
252 HA GLU 40 HA GLU 40 10.474 18.509 -18.251
253 HB2 GLU 40 HB2 GLU 40 10.210 16.459 -19.353
254 HB3 GLU 40 HB3 GLU 40 11.079 15.577 -18.110
255 HG2 GLU 40 HG2 GLU 40 9.195 15.966 -16.570
256 HG3 GLU 40 HG3 GLU 40 8.318 16.745 -17.887
257 HA PRO 41 HA PRO 41 10.679 18.792 -13.726
258 HB2 PRO 41 HB2 PRO 41 8.185 20.297 -13.988
259 HB3 PRO 41 HB3 PRO 41 9.753 20.855 -13.402
260 HG2 PRO 41 HG2 PRO 41 8.691 21.684 -15.755
261 HG3 PRO 41 HG3 PRO 41 10.438 21.538 -15.486
262 HD2 PRO 41 HD2 PRO 41 8.578 19.679 -16.912
263 HD3 PRO 41 HD3 PRO 41 10.226 20.185 -17.342
264 H CYS 42 H CYS 42 9.190 18.098 -11.996
265 HA CYS 42 HA CYS 42 7.619 15.839 -12.854
266 HB2 CYS 42 HB2 CYS 42 7.373 15.469 -10.399
267 HB3 CYS 42 HB3 CYS 42 9.048 15.588 -10.931
268 HA PRO 43 HA PRO 43 3.631 17.785 -12.600
269 HB2 PRO 43 HB2 PRO 43 2.049 15.736 -11.865
270 HB3 PRO 43 HB3 PRO 43 2.831 15.790 -13.450
271 HG2 PRO 43 HG2 PRO 43 3.667 14.315 -10.979
272 HG3 PRO 43 HG3 PRO 43 3.596 13.734 -12.653
273 HD2 PRO 43 HD2 PRO 43 5.901 14.546 -11.488
274 HD3 PRO 43 HD3 PRO 43 5.582 14.744 -13.221
275 H ALA 44 H ALA 44 5.300 17.949 -10.122
276 HA ALA 44 HA ALA 44 3.327 17.675 -8.000
277 HB1 ALA 44 HB1 ALA 44 5.625 16.938 -7.580
278 HB2 ALA 44 HB2 ALA 44 5.146 18.237 -6.490
279 HB3 ALA 44 HB3 ALA 44 6.200 18.579 -7.860
280 HA PRO 45 HA PRO 45 2.093 21.939 -8.324
281 HB2 PRO 45 HB2 PRO 45 0.916 22.187 -5.892
282 HB3 PRO 45 HB3 PRO 45 0.173 21.290 -7.220
283 HG2 PRO 45 HG2 PRO 45 1.778 20.257 -4.908
284 HG3 PRO 45 HG3 PRO 45 0.238 19.649 -5.549
285 HD2 PRO 45 HD2 PRO 45 2.576 18.483 -6.151
286 HD3 PRO 45 HD3 PRO 45 1.267 18.604 -7.345
287 H ASP 46 H ASP 46 3.976 20.752 -5.603
288 HA ASP 46 HA ASP 46 4.868 23.490 -4.987
289 HB2 ASP 46 HB2 ASP 46 3.912 21.937 -3.172
290 HB3 ASP 46 HB3 ASP 46 5.404 21.019 -3.332
291 H CYS 47 H CYS 47 5.722 21.757 -7.247
292 HA CYS 47 HA CYS 47 8.271 20.673 -6.790
293 HB2 CYS 47 HB2 CYS 47 7.195 19.982 -8.763
294 HB3 CYS 47 HB3 CYS 47 6.895 21.637 -9.280
295 H HIS 48 H HIS 48 10.304 21.384 -7.327
296 HA HIS 48 HA HIS 48 10.883 23.912 -8.403
297 HB2 HIS 48 HB2 HIS 48 10.218 24.601 -6.058
298 HB3 HIS 48 HB3 HIS 48 11.582 23.661 -5.465
299 HD1 HIS 48 HD1 HIS 48 12.289 26.136 -4.524
300 HD2 HIS 48 HD2 HIS 48 12.565 25.536 -8.626
301 HE1 HIS 48 HE1 HIS 48 13.802 27.954 -5.380
302 HE2 HIS 48 HE2 HIS 48 14.188 27.346 -7.796
303 H CYS 49 H CYS 49 11.543 21.323 -9.050
304 HA CYS 49 HA CYS 49 14.054 20.469 -8.116
305 HB2 CYS 49 HB2 CYS 49 12.843 20.074 -10.866
306 HB3 CYS 49 HB3 CYS 49 14.154 19.130 -10.168
307 H GLU 50 H GLU 50 15.651 21.924 -8.033
308 HA GLU 50 HA GLU 50 16.069 23.786 -10.230
309 HB2 GLU 50 HB2 GLU 50 16.173 24.322 -7.701
310 HB3 GLU 50 HB3 GLU 50 17.749 23.547 -7.747
311 HG2 GLU 50 HG2 GLU 50 18.023 25.913 -7.931
312 HG3 GLU 50 HG3 GLU 50 18.452 25.164 -9.469
313 H ARG 51 H ARG 51 17.848 21.283 -8.453
314 HA ARG 51 HA ARG 51 19.882 21.272 -10.503
315 HB2 ARG 51 HB2 ARG 51 21.220 19.997 -8.966
316 HB3 ARG 51 HB3 ARG 51 20.568 21.376 -8.098
317 HG2 ARG 51 HG2 ARG 51 18.825 19.896 -7.151
318 HG3 ARG 51 HG3 ARG 51 19.607 18.530 -7.949
319 HD2 ARG 51 HD2 ARG 51 21.715 19.190 -6.721
320 HD3 ARG 51 HD3 ARG 51 20.717 20.293 -5.779
321 HE ARG 51 HE ARG 51 19.964 17.474 -5.880
322 HH11 ARG 51 HH11 ARG 51 21.224 20.182 -4.030
323 HH12 ARG 51 HH12 ARG 51 21.127 19.355 -2.517
324 HH21 ARG 51 HH21 ARG 51 19.878 16.371 -3.873
325 HH22 ARG 51 HH22 ARG 51 20.362 17.183 -2.425
326 H SER 52 H SER 52 20.328 19.431 -11.635
327 HA SER 52 HA SER 52 19.816 17.649 -12.821
328 HB2 SER 52 HB2 SER 52 18.590 16.630 -10.257
329 HB3 SER 52 HB3 SER 52 19.030 15.634 -11.642
330 HG SER 52 HG SER 52 21.224 16.659 -11.266