Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
582796 | 2mn5 RC | 19880 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA PCA 1 HA PCA 1 -17.318 -2.657 -2.113
2 HB2 PCA 1 HB2 PCA 1 -14.498 -3.710 -1.745
3 HB3 PCA 1 HB3 PCA 1 -15.915 -3.924 -0.658
4 HG2 PCA 1 HG2 PCA 1 -16.896 -5.523 -2.121
5 HG3 PCA 1 HG3 PCA 1 -15.163 -5.856 -2.476
6 H ASN 2 H ASN 2 -16.234 -1.196 -0.443
7 HA ASN 2 HA ASN 2 -15.082 1.108 -1.797
8 HB2 ASN 2 HB2 ASN 2 -16.793 1.275 -0.025
9 HB3 ASN 2 HB3 ASN 2 -15.656 0.572 1.141
10 HD21 ASN 2 HD21 ASN 2 -15.988 3.301 -1.197
11 HD22 ASN 2 HD22 ASN 2 -15.073 4.446 -0.237
12 H CYS 3 H CYS 3 -13.803 -1.747 -0.619
13 HA CYS 3 HA CYS 3 -11.074 -0.655 -0.604
14 HB2 CYS 3 HB2 CYS 3 -10.558 -1.808 1.543
15 HB3 CYS 3 HB3 CYS 3 -11.609 -0.401 1.686
16 HA PRO 4 HA PRO 4 -11.717 -4.715 -2.731
17 HB2 PRO 4 HB2 PRO 4 -10.638 -4.053 -5.137
18 HB3 PRO 4 HB3 PRO 4 -12.290 -3.525 -4.657
19 HG2 PRO 4 HG2 PRO 4 -9.691 -1.967 -4.440
20 HG3 PRO 4 HG3 PRO 4 -11.236 -1.432 -5.186
21 HD2 PRO 4 HD2 PRO 4 -10.580 -0.786 -2.624
22 HD3 PRO 4 HD3 PRO 4 -12.268 -1.168 -3.078
23 H THR 5 H THR 5 -10.013 -6.056 -4.003
24 HA THR 5 HA THR 5 -7.406 -5.794 -2.599
25 HB THR 5 HB THR 5 -8.519 -8.226 -4.042
26 HG1 THR 5 HG1 THR 5 -9.162 -8.918 -2.007
27 HG21 THR 5 HG21 THR 5 -6.897 -9.412 -2.577
28 HG22 THR 5 HG22 THR 5 -6.084 -8.231 -3.623
29 HG23 THR 5 HG23 THR 5 -6.368 -7.855 -1.906
30 H ARG 6 H ARG 6 -5.656 -5.174 -3.821
31 HA ARG 6 HA ARG 6 -5.555 -5.982 -6.672
32 HB2 ARG 6 HB2 ARG 6 -5.002 -3.138 -5.768
33 HB3 ARG 6 HB3 ARG 6 -4.905 -3.791 -7.412
34 HG2 ARG 6 HG2 ARG 6 -7.374 -4.325 -7.275
35 HG3 ARG 6 HG3 ARG 6 -7.410 -3.488 -5.709
36 HD2 ARG 6 HD2 ARG 6 -8.131 -1.940 -7.376
37 HD3 ARG 6 HD3 ARG 6 -6.504 -1.442 -6.869
38 HE ARG 6 HE ARG 6 -6.250 -3.164 -9.111
39 HH11 ARG 6 HH11 ARG 6 -7.517 0.046 -8.341
40 HH12 ARG 6 HH12 ARG 6 -7.247 0.662 -9.956
41 HH21 ARG 6 HH21 ARG 6 -5.927 -2.337 -11.209
42 HH22 ARG 6 HH22 ARG 6 -6.360 -0.682 -11.572
43 H ARG 7 H ARG 7 -3.539 -6.702 -7.201
44 HA ARG 7 HA ARG 7 -1.225 -5.920 -5.485
45 HB2 ARG 7 HB2 ARG 7 -1.955 -8.758 -6.294
46 HB3 ARG 7 HB3 ARG 7 -0.489 -8.286 -5.433
47 HG2 ARG 7 HG2 ARG 7 -3.336 -7.973 -4.398
48 HG3 ARG 7 HG3 ARG 7 -2.212 -9.262 -3.949
49 HD2 ARG 7 HD2 ARG 7 -1.799 -6.297 -3.409
50 HD3 ARG 7 HD3 ARG 7 -2.297 -7.506 -2.221
51 HE ARG 7 HE ARG 7 0.386 -7.012 -3.254
52 HH11 ARG 7 HH11 ARG 7 -1.685 -9.445 -1.740
53 HH12 ARG 7 HH12 ARG 7 -0.338 -10.327 -1.058
54 HH21 ARG 7 HH21 ARG 7 2.090 -8.129 -2.335
55 HH22 ARG 7 HH22 ARG 7 1.813 -9.591 -1.412
56 H GLY 8 H GLY 8 -2.537 -6.392 -8.605
57 HA2 GLY 8 HA2 GLY 8 0.005 -7.058 -9.913
58 HA3 GLY 8 HA3 GLY 8 -1.577 -6.851 -10.679
59 H LEU 9 H LEU 9 -0.720 -4.311 -8.480
60 HA LEU 9 HA LEU 9 -0.969 -2.367 -10.547
61 HB2 LEU 9 HB2 LEU 9 0.060 -2.136 -7.693
62 HB3 LEU 9 HB3 LEU 9 -0.435 -0.775 -8.722
63 HG LEU 9 HG LEU 9 -2.258 -3.081 -7.894
64 HD11 LEU 9 HD11 LEU 9 -2.096 -0.220 -6.883
65 HD12 LEU 9 HD12 LEU 9 -3.309 -1.434 -6.408
66 HD13 LEU 9 HD13 LEU 9 -1.598 -1.678 -5.985
67 HD21 LEU 9 HD21 LEU 9 -2.962 -2.043 -10.011
68 HD22 LEU 9 HD22 LEU 9 -4.052 -1.546 -8.700
69 HD23 LEU 9 HD23 LEU 9 -2.810 -0.420 -9.277
70 H CYS 10 H CYS 10 1.816 -4.158 -9.483
71 HA CYS 10 HA CYS 10 3.659 -2.083 -10.505
72 HB2 CYS 10 HB2 CYS 10 4.100 -4.725 -9.093
73 HB3 CYS 10 HB3 CYS 10 5.399 -3.680 -9.686
74 H VAL 11 H VAL 11 1.762 -4.340 -11.986
75 HA VAL 11 HA VAL 11 3.841 -5.533 -13.682
76 HB VAL 11 HB VAL 11 0.803 -5.732 -13.777
77 HG11 VAL 11 HG11 VAL 11 1.247 -7.754 -15.150
78 HG12 VAL 11 HG12 VAL 11 1.795 -6.274 -15.954
79 HG13 VAL 11 HG13 VAL 11 2.975 -7.354 -15.160
80 HG21 VAL 11 HG21 VAL 11 1.803 -6.660 -11.696
81 HG22 VAL 11 HG22 VAL 11 1.162 -7.938 -12.746
82 HG23 VAL 11 HG23 VAL 11 2.915 -7.635 -12.682
83 H THR 12 H THR 12 1.517 -2.849 -13.830
84 HA THR 12 HA THR 12 2.812 -1.959 -16.308
85 HB THR 12 HB THR 12 1.114 -3.559 -17.112
86 HG1 THR 12 HG1 THR 12 1.581 -1.722 -18.342
87 HG21 THR 12 HG21 THR 12 -0.927 -1.685 -15.842
88 HG22 THR 12 HG22 THR 12 -1.269 -3.097 -16.865
89 HG23 THR 12 HG23 THR 12 -0.535 -3.323 -15.265
90 H SER 13 H SER 13 0.569 -1.398 -13.609
91 HA SER 13 HA SER 13 0.012 1.349 -14.387
92 HB2 SER 13 HB2 SER 13 -0.452 -0.224 -11.824
93 HB3 SER 13 HB3 SER 13 -1.021 1.426 -12.144
94 HG SER 13 HG SER 13 -2.607 -0.148 -12.663
95 H GLY 14 H GLY 14 2.484 -0.305 -12.630
96 HA2 GLY 14 HA2 GLY 14 4.612 0.561 -12.171
97 HA3 GLY 14 HA3 GLY 14 4.004 2.201 -12.394
98 H LEU 15 H LEU 15 5.680 1.893 -10.376
99 HA LEU 15 HA LEU 15 4.668 0.955 -7.904
100 HB2 LEU 15 HB2 LEU 15 7.037 1.330 -8.310
101 HB3 LEU 15 HB3 LEU 15 6.758 3.048 -8.631
102 HG LEU 15 HG LEU 15 6.064 3.401 -6.298
103 HD11 LEU 15 HD11 LEU 15 6.825 0.466 -5.915
104 HD12 LEU 15 HD12 LEU 15 6.427 1.618 -4.618
105 HD13 LEU 15 HD13 LEU 15 5.182 1.133 -5.780
106 HD21 LEU 15 HD21 LEU 15 8.430 3.654 -6.950
107 HD22 LEU 15 HD22 LEU 15 8.278 3.089 -5.275
108 HD23 LEU 15 HD23 LEU 15 8.725 1.946 -6.564
109 H THR 16 H THR 16 4.163 4.021 -9.631
110 HA THR 16 HA THR 16 3.312 5.579 -7.404
111 HB THR 16 HB THR 16 2.388 5.754 -10.296
112 HG1 THR 16 HG1 THR 16 4.173 7.135 -10.497
113 HG21 THR 16 HG21 THR 16 1.106 7.200 -8.776
114 HG22 THR 16 HG22 THR 16 2.611 7.826 -8.067
115 HG23 THR 16 HG23 THR 16 2.201 8.186 -9.763
116 H ALA 17 H ALA 17 1.604 3.181 -9.441
117 HA ALA 17 HA ALA 17 -0.997 3.870 -8.324
118 HB1 ALA 17 HB1 ALA 17 -0.035 1.474 -9.933
119 HB2 ALA 17 HB2 ALA 17 -1.730 1.859 -9.556
120 HB3 ALA 17 HB3 ALA 17 -0.779 2.959 -10.580
121 H CYS 18 H CYS 18 1.605 1.539 -7.651
122 HA CYS 18 HA CYS 18 0.117 -0.044 -5.767
123 HB2 CYS 18 HB2 CYS 18 2.113 -0.860 -6.902
124 HB3 CYS 18 HB3 CYS 18 3.086 0.438 -6.201
125 H ARG 19 H ARG 19 1.933 2.995 -5.605
126 HA ARG 19 HA ARG 19 2.056 3.051 -2.700
127 HB2 ARG 19 HB2 ARG 19 3.639 4.099 -4.457
128 HB3 ARG 19 HB3 ARG 19 2.427 5.387 -4.594
129 HG2 ARG 19 HG2 ARG 19 2.648 5.827 -2.147
130 HG3 ARG 19 HG3 ARG 19 3.834 4.507 -2.039
131 HD2 ARG 19 HD2 ARG 19 5.224 5.705 -3.772
132 HD3 ARG 19 HD3 ARG 19 4.103 7.081 -3.640
133 HE ARG 19 HE ARG 19 5.313 6.110 -1.130
134 HH11 ARG 19 HH11 ARG 19 5.475 8.441 -3.780
135 HH12 ARG 19 HH12 ARG 19 6.499 9.549 -2.899
136 HH21 ARG 19 HH21 ARG 19 6.660 7.554 -0.011
137 HH22 ARG 19 HH22 ARG 19 7.158 9.056 -0.760
138 H ASN 20 H ASN 20 -0.096 4.265 -5.235
139 HA ASN 20 HA ASN 20 -1.607 5.973 -3.422
140 HB2 ASN 20 HB2 ASN 20 -2.160 4.905 -6.216
141 HB3 ASN 20 HB3 ASN 20 -3.203 6.048 -5.376
142 HD21 ASN 20 HD21 ASN 20 -2.182 6.762 -7.810
143 HD22 ASN 20 HD22 ASN 20 -0.972 8.014 -7.604
144 H HIS 21 H HIS 21 -1.805 2.579 -4.502
145 HA HIS 21 HA HIS 21 -4.491 2.205 -3.473
146 HB2 HIS 21 HB2 HIS 21 -3.538 0.877 -5.313
147 HB3 HIS 21 HB3 HIS 21 -2.291 0.246 -4.231
148 HD1 HIS 21 HD1 HIS 21 -6.153 0.046 -4.616
149 HD2 HIS 21 HD2 HIS 21 -2.870 -1.888 -2.840
150 HE1 HIS 21 HE1 HIS 21 -7.026 -2.154 -3.658
151 H CYS 22 H CYS 22 -1.169 1.769 -2.238
152 HA CYS 22 HA CYS 22 -2.023 0.397 0.162
153 HB2 CYS 22 HB2 CYS 22 0.515 1.821 -0.673
154 HB3 CYS 22 HB3 CYS 22 0.333 1.047 0.908
155 H ARG 23 H ARG 23 -1.793 3.797 -0.797
156 HA ARG 23 HA ARG 23 -2.043 4.687 2.003
157 HB2 ARG 23 HB2 ARG 23 -1.763 6.121 -0.655
158 HB3 ARG 23 HB3 ARG 23 -2.130 6.974 0.859
159 HG2 ARG 23 HG2 ARG 23 -0.124 6.034 1.922
160 HG3 ARG 23 HG3 ARG 23 0.289 5.170 0.426
161 HD2 ARG 23 HD2 ARG 23 0.574 7.281 -0.762
162 HD3 ARG 23 HD3 ARG 23 -0.061 8.188 0.624
163 HE ARG 23 HE ARG 23 2.116 6.747 1.616
164 HH11 ARG 23 HH11 ARG 23 1.586 9.239 -0.842
165 HH12 ARG 23 HH12 ARG 23 3.171 9.941 -0.625
166 HH21 ARG 23 HH21 ARG 23 4.146 7.684 1.887
167 HH22 ARG 23 HH22 ARG 23 4.628 9.053 0.917
168 H SER 24 H SER 24 -4.118 3.595 -0.435
169 HA SER 24 HA SER 24 -6.434 5.087 0.696
170 HB2 SER 24 HB2 SER 24 -6.189 3.352 -1.785
171 HB3 SER 24 HB3 SER 24 -7.659 4.192 -1.248
172 HG SER 24 HG SER 24 -5.205 5.327 -2.084
173 H CYS 25 H CYS 25 -8.435 3.708 1.053
174 HA CYS 25 HA CYS 25 -7.733 1.523 2.788
175 HB2 CYS 25 HB2 CYS 25 -9.654 3.129 3.052
176 HB3 CYS 25 HB3 CYS 25 -10.464 2.306 1.716
177 H HIS 26 H HIS 26 -7.425 -0.593 2.288
178 HA HIS 26 HA HIS 26 -8.693 -1.716 -0.150
179 HB2 HIS 26 HB2 HIS 26 -6.486 -2.684 -0.797
180 HB3 HIS 26 HB3 HIS 26 -6.517 -0.919 -0.889
181 HD1 HIS 26 HD1 HIS 26 -4.774 0.372 0.564
182 HD2 HIS 26 HD2 HIS 26 -5.186 -3.717 1.490
183 HE1 HIS 26 HE1 HIS 26 -2.946 -0.175 2.289
184 HE2 HIS 26 HE2 HIS 26 -3.229 -2.662 2.855
185 H ARG 27 H ARG 27 -8.262 -4.160 -0.198
186 HA ARG 27 HA ARG 27 -9.128 -5.197 2.353
187 HB2 ARG 27 HB2 ARG 27 -9.902 -5.963 0.078
188 HB3 ARG 27 HB3 ARG 27 -8.302 -6.661 -0.183
189 HG2 ARG 27 HG2 ARG 27 -9.985 -8.338 0.527
190 HG3 ARG 27 HG3 ARG 27 -8.632 -8.234 1.665
191 HD2 ARG 27 HD2 ARG 27 -9.946 -6.991 3.253
192 HD3 ARG 27 HD3 ARG 27 -11.191 -6.651 2.047
193 HE ARG 27 HE ARG 27 -12.216 -8.609 2.556
194 HH11 ARG 27 HH11 ARG 27 -8.817 -8.969 3.553
195 HH12 ARG 27 HH12 ARG 27 -9.107 -10.513 4.312
196 HH21 ARG 27 HH21 ARG 27 -12.525 -10.620 3.545
197 HH22 ARG 27 HH22 ARG 27 -11.185 -11.454 4.288
198 H GLY 28 H GLY 28 -7.942 -5.978 3.973
199 HA2 GLY 28 HA2 GLY 28 -5.040 -6.455 3.625
200 HA3 GLY 28 HA3 GLY 28 -5.927 -6.296 5.146
201 H ASP 29 H ASP 29 -4.786 -8.273 5.797
202 HA ASP 29 HA ASP 29 -5.374 -10.748 4.360
203 HB2 ASP 29 HB2 ASP 29 -3.199 -10.245 5.450
204 HB3 ASP 29 HB3 ASP 29 -4.009 -10.253 7.025
205 H VAL 30 H VAL 30 -6.815 -8.963 6.994
206 HA VAL 30 HA VAL 30 -8.719 -11.211 7.410
207 HB VAL 30 HB VAL 30 -6.959 -11.245 9.164
208 HG11 VAL 30 HG11 VAL 30 -8.081 -8.521 9.938
209 HG12 VAL 30 HG12 VAL 30 -6.890 -9.463 10.856
210 HG13 VAL 30 HG13 VAL 30 -6.467 -8.825 9.252
211 HG21 VAL 30 HG21 VAL 30 -8.444 -11.416 11.064
212 HG22 VAL 30 HG22 VAL 30 -9.670 -10.418 10.257
213 HG23 VAL 30 HG23 VAL 30 -9.275 -12.033 9.618
214 H GLY 31 H GLY 31 -8.187 -7.902 6.787
215 HA2 GLY 31 HA2 GLY 31 -10.947 -7.293 6.515
216 HA3 GLY 31 HA3 GLY 31 -10.361 -6.618 8.045
217 H CYS 32 H CYS 32 -11.180 -4.769 6.200
218 HA CYS 32 HA CYS 32 -9.032 -4.078 4.396
219 HB2 CYS 32 HB2 CYS 32 -11.528 -2.587 5.261
220 HB3 CYS 32 HB3 CYS 32 -10.364 -1.979 4.081
221 H VAL 33 H VAL 33 -7.544 -2.481 4.475
222 HA VAL 33 HA VAL 33 -7.180 -0.865 6.917
223 HB VAL 33 HB VAL 33 -4.836 -1.616 7.141
224 HG11 VAL 33 HG11 VAL 33 -6.627 -2.622 8.541
225 HG12 VAL 33 HG12 VAL 33 -6.765 -3.962 7.374
226 HG13 VAL 33 HG13 VAL 33 -5.252 -3.714 8.267
227 HG21 VAL 33 HG21 VAL 33 -4.475 -2.470 4.856
228 HG22 VAL 33 HG22 VAL 33 -4.079 -3.698 6.066
229 HG23 VAL 33 HG23 VAL 33 -5.612 -3.809 5.167
230 H ARG 34 H ARG 34 -5.326 0.667 6.627
231 HA ARG 34 HA ARG 34 -4.472 1.049 3.816
232 HB2 ARG 34 HB2 ARG 34 -4.869 3.401 3.869
233 HB3 ARG 34 HB3 ARG 34 -6.383 2.592 4.286
234 HG2 ARG 34 HG2 ARG 34 -5.879 2.987 6.720
235 HG3 ARG 34 HG3 ARG 34 -4.442 3.911 6.237
236 HD2 ARG 34 HD2 ARG 34 -7.330 4.550 5.520
237 HD3 ARG 34 HD3 ARG 34 -6.310 5.406 6.695
238 HE ARG 34 HE ARG 34 -5.137 5.313 4.033
239 HH11 ARG 34 HH11 ARG 34 -7.434 7.038 6.090
240 HH12 ARG 34 HH12 ARG 34 -7.318 8.524 5.170
241 HH21 ARG 34 HH21 ARG 34 -5.043 7.230 2.835
242 HH22 ARG 34 HH22 ARG 34 -5.963 8.633 3.328
243 H CYS 35 H CYS 35 -2.388 2.132 3.665
244 HA CYS 35 HA CYS 35 -0.815 1.786 6.179
245 HB2 CYS 35 HB2 CYS 35 -0.051 1.029 3.356
246 HB3 CYS 35 HB3 CYS 35 0.937 0.804 4.797
247 H SER 36 H SER 36 1.643 2.532 5.357
248 HA SER 36 HA SER 36 1.235 5.454 5.067
249 HB2 SER 36 HB2 SER 36 2.367 4.468 7.069
250 HB3 SER 36 HB3 SER 36 3.648 3.863 6.006
251 HG SER 36 HG SER 36 4.144 5.909 6.933
252 H ASN 37 H ASN 37 3.056 2.746 3.586
253 HA ASN 37 HA ASN 37 3.620 4.422 1.237
254 HB2 ASN 37 HB2 ASN 37 5.462 4.796 2.991
255 HB3 ASN 37 HB3 ASN 37 5.924 3.115 2.745
256 HD21 ASN 37 HD21 ASN 37 8.009 4.212 2.146
257 HD22 ASN 37 HD22 ASN 37 8.203 4.719 0.482
258 H ALA 38 H ALA 38 5.284 2.814 -0.200
259 HA ALA 38 HA ALA 38 4.391 0.029 -0.016
260 HB1 ALA 38 HB1 ALA 38 3.268 0.035 -2.172
261 HB2 ALA 38 HB2 ALA 38 2.512 1.276 -1.151
262 HB3 ALA 38 HB3 ALA 38 3.669 1.749 -2.419
263 H GLN 39 H GLN 39 5.320 -1.291 -1.778
264 HA GLN 39 HA GLN 39 7.358 -0.112 -3.496
265 HB2 GLN 39 HB2 GLN 39 9.169 -1.554 -2.736
266 HB3 GLN 39 HB3 GLN 39 8.629 -0.505 -1.415
267 HG2 GLN 39 HG2 GLN 39 7.345 -2.333 -0.426
268 HG3 GLN 39 HG3 GLN 39 7.722 -3.390 -1.799
269 HE21 GLN 39 HE21 GLN 39 9.427 -1.367 0.683
270 HE22 GLN 39 HE22 GLN 39 10.739 -2.503 0.921
271 H CYS 40 H CYS 40 8.183 -1.788 -5.048
272 HA CYS 40 HA CYS 40 6.058 -3.782 -5.591
273 HB2 CYS 40 HB2 CYS 40 8.341 -2.735 -7.277
274 HB3 CYS 40 HB3 CYS 40 7.196 -3.977 -7.797
275 H THR 41 H THR 41 6.459 -5.974 -5.781
276 HA THR 41 HA THR 41 9.122 -6.972 -4.898
277 HB THR 41 HB THR 41 7.963 -8.528 -3.362
278 HG1 THR 41 HG1 THR 41 5.762 -8.102 -2.928
279 HG21 THR 41 HG21 THR 41 7.223 -5.622 -2.818
280 HG22 THR 41 HG22 THR 41 7.386 -6.933 -1.622
281 HG23 THR 41 HG23 THR 41 8.813 -6.353 -2.506
282 H GLY 42 H GLY 42 8.903 -9.544 -4.926
283 HA2 GLY 42 HA2 GLY 42 8.070 -11.459 -6.094
284 HA3 GLY 42 HA3 GLY 42 7.489 -10.415 -7.396
285 H PHE 43 H PHE 43 8.866 -12.514 -8.232
286 HA PHE 43 HA PHE 43 11.723 -12.250 -8.253
287 HB2 PHE 43 HB2 PHE 43 10.583 -14.379 -8.528
288 HB3 PHE 43 HB3 PHE 43 9.754 -13.788 -9.972
289 HD1 PHE 43 HD1 PHE 43 13.307 -14.045 -8.729
290 HD2 PHE 43 HD2 PHE 43 10.549 -14.591 -11.981
291 HE1 PHE 43 HE1 PHE 43 15.146 -14.908 -10.144
292 HE2 PHE 43 HE2 PHE 43 12.392 -15.442 -13.402
293 HZ PHE 43 HZ PHE 43 14.689 -15.599 -12.497
294 H LEU 44 H LEU 44 9.201 -10.707 -10.084
295 HA LEU 44 HA LEU 44 11.242 -9.527 -11.898
296 HB2 LEU 44 HB2 LEU 44 8.508 -10.626 -12.660
297 HB3 LEU 44 HB3 LEU 44 9.514 -9.641 -13.733
298 HG LEU 44 HG LEU 44 10.377 -12.317 -12.551
299 HD11 LEU 44 HD11 LEU 44 9.369 -11.614 -15.338
300 HD12 LEU 44 HD12 LEU 44 9.991 -13.198 -14.817
301 HD13 LEU 44 HD13 LEU 44 8.484 -12.565 -14.125
302 HD21 LEU 44 HD21 LEU 44 12.278 -10.829 -13.160
303 HD22 LEU 44 HD22 LEU 44 12.146 -12.192 -14.281
304 HD23 LEU 44 HD23 LEU 44 11.562 -10.583 -14.769
305 H GLY 45 H GLY 45 9.496 -8.756 -9.368
306 HA2 GLY 45 HA2 GLY 45 8.733 -6.731 -8.602
307 HA3 GLY 45 HA3 GLY 45 9.153 -6.002 -10.160
308 H THR 46 H THR 46 7.105 -8.802 -10.337
309 HA THR 46 HA THR 46 4.985 -7.163 -11.463
310 HB THR 46 HB THR 46 3.995 -9.466 -11.974
311 HG1 THR 46 HG1 THR 46 5.422 -11.180 -11.675
312 HG21 THR 46 HG21 THR 46 5.327 -8.171 -13.589
313 HG22 THR 46 HG22 THR 46 6.826 -8.844 -12.913
314 HG23 THR 46 HG23 THR 46 5.659 -9.910 -13.735
315 H THR 47 H THR 47 5.551 -7.471 -8.357
316 HA THR 47 HA THR 47 2.665 -7.826 -7.693
317 HB THR 47 HB THR 47 5.024 -8.821 -6.056
318 HG1 THR 47 HG1 THR 47 4.177 -10.854 -6.622
319 HG21 THR 47 HG21 THR 47 2.012 -9.020 -5.645
320 HG22 THR 47 HG22 THR 47 3.219 -9.951 -4.729
321 HG23 THR 47 HG23 THR 47 3.182 -8.182 -4.598
322 H CYS 48 H CYS 48 1.887 -6.527 -6.015
323 HA CYS 48 HA CYS 48 3.595 -4.193 -5.289
324 HB2 CYS 48 HB2 CYS 48 1.633 -3.574 -6.533
325 HB3 CYS 48 HB3 CYS 48 0.609 -4.613 -5.537
326 H THR 49 H THR 49 3.827 -3.621 -3.126
327 HA THR 49 HA THR 49 2.392 -5.191 -1.070
328 HB THR 49 HB THR 49 5.428 -4.998 -1.272
329 HG1 THR 49 HG1 THR 49 4.529 -6.597 -2.566
330 HG21 THR 49 HG21 THR 49 3.622 -6.212 0.870
331 HG22 THR 49 HG22 THR 49 5.380 -6.468 0.754
332 HG23 THR 49 HG23 THR 49 4.742 -4.844 1.074
333 H CYS 50 H CYS 50 2.198 -4.099 0.920
334 HA CYS 50 HA CYS 50 2.755 -1.195 0.715
335 HB2 CYS 50 HB2 CYS 50 0.859 -2.688 2.550
336 HB3 CYS 50 HB3 CYS 50 1.002 -0.940 2.367
337 H ILE 51 H ILE 51 3.227 -0.040 2.771
338 HA ILE 51 HA ILE 51 5.202 -1.582 4.395
339 HB ILE 51 HB ILE 51 5.159 1.354 3.610
340 HG12 ILE 51 HG12 ILE 51 5.704 -0.056 1.675
341 HG13 ILE 51 HG13 ILE 51 7.098 0.878 2.209
342 HG21 ILE 51 HG21 ILE 51 7.187 -0.282 5.178
343 HG22 ILE 51 HG22 ILE 51 7.463 1.367 4.557
344 HG23 ILE 51 HG23 ILE 51 6.204 1.080 5.768
345 HD11 ILE 51 HD11 ILE 51 8.032 -1.096 3.343
346 HD12 ILE 51 HD12 ILE 51 6.602 -2.055 2.871
347 HD13 ILE 51 HD13 ILE 51 7.705 -1.430 1.627
348 H ASN 52 H ASN 52 5.028 -1.513 6.576
349 HA ASN 52 HA ASN 52 2.575 -0.596 7.722
350 HB2 ASN 52 HB2 ASN 52 3.549 -1.473 9.813
351 HB3 ASN 52 HB3 ASN 52 3.767 -2.605 8.475
352 HD21 ASN 52 HD21 ASN 52 5.366 -0.405 10.718
353 HD22 ASN 52 HD22 ASN 52 7.004 -0.894 10.327
354 HA PRO 53 HA PRO 53 2.209 -0.036 10.337
355 HB2 PRO 53 HB2 PRO 53 0.850 2.619 10.515
356 HB3 PRO 53 HB3 PRO 53 1.195 1.440 11.820
357 HG2 PRO 53 HG2 PRO 53 2.662 3.712 11.599
358 HG3 PRO 53 HG3 PRO 53 3.472 2.141 11.946
359 HD2 PRO 53 HD2 PRO 53 3.133 3.525 9.262
360 HD3 PRO 53 HD3 PRO 53 4.629 2.865 9.993
361 H CYS 54 H CYS 54 -0.102 -0.484 10.087
362 HA CYS 54 HA CYS 54 -1.404 0.530 7.631
363 HB2 CYS 54 HB2 CYS 54 -0.872 -2.372 8.322
364 HB3 CYS 54 HB3 CYS 54 -2.066 -1.871 7.131
365 HA PRO 55 HA PRO 55 -4.145 0.235 11.444
366 HB2 PRO 55 HB2 PRO 55 -5.205 2.752 11.251
367 HB3 PRO 55 HB3 PRO 55 -3.640 2.409 12.054
368 HG2 PRO 55 HG2 PRO 55 -4.102 3.302 9.183
369 HG3 PRO 55 HG3 PRO 55 -3.005 4.048 10.400
370 HD2 PRO 55 HD2 PRO 55 -2.018 2.291 8.617
371 HD3 PRO 55 HD3 PRO 55 -1.524 2.171 10.326
372 H ARG 56 H ARG 56 -6.550 0.571 11.526
373 HA ARG 56 HA ARG 56 -7.766 -0.678 9.238
374 HB2 ARG 56 HB2 ARG 56 -9.052 0.653 11.656
375 HB3 ARG 56 HB3 ARG 56 -9.848 -0.450 10.524
376 HG2 ARG 56 HG2 ARG 56 -7.624 -1.098 12.487
377 HG3 ARG 56 HG3 ARG 56 -9.304 -1.662 12.518
378 HD2 ARG 56 HD2 ARG 56 -7.140 -2.383 10.511
379 HD3 ARG 56 HD3 ARG 56 -7.883 -3.456 11.704
380 HE ARG 56 HE ARG 56 -8.972 -2.679 9.105
381 HH11 ARG 56 HH11 ARG 56 -9.762 -3.968 12.307
382 HH12 ARG 56 HH12 ARG 56 -11.263 -4.681 11.772
383 HH21 ARG 56 HH21 ARG 56 -10.924 -3.578 8.449
384 HH22 ARG 56 HH22 ARG 56 -11.921 -4.468 9.580
385 H CYS 57 H CYS 57 -9.745 0.130 8.192
386 HA CYS 57 HA CYS 57 -10.104 3.030 7.993
387 HB2 CYS 57 HB2 CYS 57 -9.683 3.102 5.578
388 HB3 CYS 57 HB3 CYS 57 -8.237 2.668 6.490
Start of MODEL 2
1 HA PCA 1 HA PCA 1 -16.797 -2.518 -0.109
2 HB2 PCA 1 HB2 PCA 1 -18.778 -0.255 0.307
3 HB3 PCA 1 HB3 PCA 1 -18.700 -1.426 -1.052
4 HG2 PCA 1 HG2 PCA 1 -19.591 -3.178 0.310
5 HG3 PCA 1 HG3 PCA 1 -20.407 -1.775 1.082
6 H ASN 2 H ASN 2 -16.006 -0.385 2.390
7 HA ASN 2 HA ASN 2 -14.987 1.793 0.748
8 HB2 ASN 2 HB2 ASN 2 -14.226 2.725 2.858
9 HB3 ASN 2 HB3 ASN 2 -15.894 2.161 3.011
10 HD21 ASN 2 HD21 ASN 2 -12.498 1.401 3.761
11 HD22 ASN 2 HD22 ASN 2 -12.841 0.349 5.124
12 H CYS 3 H CYS 3 -14.001 -1.171 0.625
13 HA CYS 3 HA CYS 3 -11.136 -0.516 0.382
14 HB2 CYS 3 HB2 CYS 3 -10.645 -2.655 1.691
15 HB3 CYS 3 HB3 CYS 3 -11.014 -1.181 2.581
16 HA PRO 4 HA PRO 4 -12.470 -3.389 -2.956
17 HB2 PRO 4 HB2 PRO 4 -11.212 -2.081 -4.991
18 HB3 PRO 4 HB3 PRO 4 -12.800 -1.539 -4.353
19 HG2 PRO 4 HG2 PRO 4 -10.040 -0.496 -3.634
20 HG3 PRO 4 HG3 PRO 4 -11.501 0.450 -4.093
21 HD2 PRO 4 HD2 PRO 4 -10.793 0.046 -1.494
22 HD3 PRO 4 HD3 PRO 4 -12.512 0.091 -1.994
23 H THR 5 H THR 5 -10.837 -4.393 -4.654
24 HA THR 5 HA THR 5 -8.194 -4.795 -3.308
25 HB THR 5 HB THR 5 -9.845 -6.926 -4.706
26 HG1 THR 5 HG1 THR 5 -10.289 -7.647 -2.620
27 HG21 THR 5 HG21 THR 5 -8.237 -8.448 -3.575
28 HG22 THR 5 HG22 THR 5 -7.408 -7.340 -4.694
29 HG23 THR 5 HG23 THR 5 -7.356 -7.043 -2.943
30 H ARG 6 H ARG 6 -6.498 -4.439 -4.581
31 HA ARG 6 HA ARG 6 -6.679 -4.968 -7.495
32 HB2 ARG 6 HB2 ARG 6 -5.603 -2.413 -6.219
33 HB3 ARG 6 HB3 ARG 6 -5.410 -2.855 -7.917
34 HG2 ARG 6 HG2 ARG 6 -8.092 -2.410 -6.538
35 HG3 ARG 6 HG3 ARG 6 -7.248 -1.205 -7.508
36 HD2 ARG 6 HD2 ARG 6 -8.175 -3.923 -8.526
37 HD3 ARG 6 HD3 ARG 6 -9.012 -2.388 -8.791
38 HE ARG 6 HE ARG 6 -6.481 -1.891 -9.738
39 HH11 ARG 6 HH11 ARG 6 -8.901 -4.380 -10.384
40 HH12 ARG 6 HH12 ARG 6 -8.390 -4.616 -12.043
41 HH21 ARG 6 HH21 ARG 6 -5.831 -2.219 -11.908
42 HH22 ARG 6 HH22 ARG 6 -6.655 -3.401 -12.898
43 H ARG 7 H ARG 7 -4.885 -5.955 -8.254
44 HA ARG 7 HA ARG 7 -2.406 -5.972 -6.610
45 HB2 ARG 7 HB2 ARG 7 -3.903 -8.406 -7.642
46 HB3 ARG 7 HB3 ARG 7 -2.258 -8.434 -6.979
47 HG2 ARG 7 HG2 ARG 7 -4.753 -7.549 -5.465
48 HG3 ARG 7 HG3 ARG 7 -3.942 -9.114 -5.313
49 HD2 ARG 7 HD2 ARG 7 -1.856 -7.929 -4.584
50 HD3 ARG 7 HD3 ARG 7 -2.722 -6.398 -4.630
51 HE ARG 7 HE ARG 7 -3.154 -8.640 -2.747
52 HH11 ARG 7 HH11 ARG 7 -3.979 -5.332 -3.727
53 HH12 ARG 7 HH12 ARG 7 -4.773 -4.962 -2.216
54 HH21 ARG 7 HH21 ARG 7 -4.213 -8.122 -0.801
55 HH22 ARG 7 HH22 ARG 7 -4.907 -6.539 -0.563
56 H GLY 8 H GLY 8 -0.549 -6.842 -7.901
57 HA2 GLY 8 HA2 GLY 8 0.719 -6.976 -9.815
58 HA3 GLY 8 HA3 GLY 8 -0.771 -7.116 -10.764
59 H LEU 9 H LEU 9 -0.592 -4.359 -8.656
60 HA LEU 9 HA LEU 9 -0.954 -2.489 -10.749
61 HB2 LEU 9 HB2 LEU 9 0.027 -2.198 -7.876
62 HB3 LEU 9 HB3 LEU 9 -0.415 -0.829 -8.909
63 HG LEU 9 HG LEU 9 -2.322 -3.117 -8.252
64 HD11 LEU 9 HD11 LEU 9 -3.353 -1.548 -6.663
65 HD12 LEU 9 HD12 LEU 9 -1.675 -1.918 -6.205
66 HD13 LEU 9 HD13 LEU 9 -2.065 -0.363 -6.985
67 HD21 LEU 9 HD21 LEU 9 -4.026 -1.460 -8.993
68 HD22 LEU 9 HD22 LEU 9 -2.729 -0.320 -9.403
69 HD23 LEU 9 HD23 LEU 9 -2.891 -1.848 -10.299
70 H CYS 10 H CYS 10 2.003 -3.865 -9.418
71 HA CYS 10 HA CYS 10 3.730 -1.750 -10.388
72 HB2 CYS 10 HB2 CYS 10 4.225 -4.565 -9.369
73 HB3 CYS 10 HB3 CYS 10 5.511 -3.457 -9.839
74 H VAL 11 H VAL 11 1.887 -3.865 -12.135
75 HA VAL 11 HA VAL 11 3.938 -4.035 -14.297
76 HB VAL 11 HB VAL 11 1.700 -6.018 -13.697
77 HG11 VAL 11 HG11 VAL 11 2.272 -5.931 -16.089
78 HG12 VAL 11 HG12 VAL 11 4.003 -6.062 -15.695
79 HG13 VAL 11 HG13 VAL 11 2.901 -7.419 -15.373
80 HG21 VAL 11 HG21 VAL 11 3.548 -7.554 -13.075
81 HG22 VAL 11 HG22 VAL 11 4.709 -6.214 -13.256
82 HG23 VAL 11 HG23 VAL 11 3.460 -6.154 -11.991
83 H THR 12 H THR 12 0.668 -3.134 -13.320
84 HA THR 12 HA THR 12 -0.118 -2.756 -16.152
85 HB THR 12 HB THR 12 -2.370 -2.372 -15.195
86 HG1 THR 12 HG1 THR 12 -2.616 -2.813 -12.966
87 HG21 THR 12 HG21 THR 12 -1.023 -4.916 -14.189
88 HG22 THR 12 HG22 THR 12 -2.767 -4.683 -14.472
89 HG23 THR 12 HG23 THR 12 -1.629 -4.652 -15.839
90 H SER 13 H SER 13 0.956 -0.925 -13.361
91 HA SER 13 HA SER 13 0.592 1.572 -14.920
92 HB2 SER 13 HB2 SER 13 -0.519 0.928 -12.173
93 HB3 SER 13 HB3 SER 13 -0.199 2.589 -12.704
94 HG SER 13 HG SER 13 -1.608 2.206 -14.466
95 H GLY 14 H GLY 14 2.253 -0.298 -12.443
96 HA2 GLY 14 HA2 GLY 14 4.599 0.001 -12.091
97 HA3 GLY 14 HA3 GLY 14 4.436 1.729 -12.419
98 H LEU 15 H LEU 15 5.794 1.485 -10.302
99 HA LEU 15 HA LEU 15 4.624 0.739 -7.853
100 HB2 LEU 15 HB2 LEU 15 7.007 1.023 -8.150
101 HB3 LEU 15 HB3 LEU 15 6.802 2.727 -8.571
102 HG LEU 15 HG LEU 15 6.017 3.234 -6.297
103 HD11 LEU 15 HD11 LEU 15 5.004 1.041 -5.701
104 HD12 LEU 15 HD12 LEU 15 6.624 0.299 -5.723
105 HD13 LEU 15 HD13 LEU 15 6.218 1.536 -4.508
106 HD21 LEU 15 HD21 LEU 15 8.169 2.855 -5.152
107 HD22 LEU 15 HD22 LEU 15 8.615 1.655 -6.384
108 HD23 LEU 15 HD23 LEU 15 8.421 3.364 -6.836
109 H THR 16 H THR 16 4.244 3.727 -9.741
110 HA THR 16 HA THR 16 3.408 5.442 -7.647
111 HB THR 16 HB THR 16 2.463 5.431 -10.537
112 HG1 THR 16 HG1 THR 16 4.294 6.744 -10.855
113 HG21 THR 16 HG21 THR 16 2.351 7.889 -10.183
114 HG22 THR 16 HG22 THR 16 1.255 7.024 -9.089
115 HG23 THR 16 HG23 THR 16 2.799 7.660 -8.478
116 H ALA 17 H ALA 17 1.624 2.960 -9.529
117 HA ALA 17 HA ALA 17 -0.938 3.806 -8.388
118 HB1 ALA 17 HB1 ALA 17 -0.811 2.901 -10.659
119 HB2 ALA 17 HB2 ALA 17 -0.134 1.376 -10.030
120 HB3 ALA 17 HB3 ALA 17 -1.802 1.846 -9.624
121 H CYS 18 H CYS 18 1.563 1.349 -7.770
122 HA CYS 18 HA CYS 18 0.032 -0.185 -5.884
123 HB2 CYS 18 HB2 CYS 18 2.024 -1.063 -6.967
124 HB3 CYS 18 HB3 CYS 18 3.005 0.256 -6.320
125 H ARG 19 H ARG 19 1.936 2.813 -5.682
126 HA ARG 19 HA ARG 19 1.870 2.854 -2.770
127 HB2 ARG 19 HB2 ARG 19 3.650 3.880 -4.262
128 HB3 ARG 19 HB3 ARG 19 2.471 5.133 -4.695
129 HG2 ARG 19 HG2 ARG 19 2.246 5.739 -2.296
130 HG3 ARG 19 HG3 ARG 19 3.393 4.448 -1.866
131 HD2 ARG 19 HD2 ARG 19 5.134 5.556 -3.241
132 HD3 ARG 19 HD3 ARG 19 3.995 6.851 -3.634
133 HE ARG 19 HE ARG 19 5.293 6.319 -1.021
134 HH11 ARG 19 HH11 ARG 19 3.042 8.298 -2.906
135 HH12 ARG 19 HH12 ARG 19 3.027 9.602 -1.745
136 HH21 ARG 19 HH21 ARG 19 5.263 8.034 0.474
137 HH22 ARG 19 HH22 ARG 19 4.291 9.455 0.168
138 H ASN 20 H ASN 20 -0.004 4.303 -5.438
139 HA ASN 20 HA ASN 20 -1.605 5.974 -3.719
140 HB2 ASN 20 HB2 ASN 20 -2.048 4.880 -6.522
141 HB3 ASN 20 HB3 ASN 20 -3.116 6.057 -5.737
142 HD21 ASN 20 HD21 ASN 20 -2.026 6.788 -8.103
143 HD22 ASN 20 HD22 ASN 20 -0.752 7.972 -7.870
144 H HIS 21 H HIS 21 -1.692 2.548 -4.520
145 HA HIS 21 HA HIS 21 -4.448 2.204 -3.603
146 HB2 HIS 21 HB2 HIS 21 -3.411 0.807 -5.353
147 HB3 HIS 21 HB3 HIS 21 -2.227 0.211 -4.187
148 HD1 HIS 21 HD1 HIS 21 -6.097 0.143 -4.610
149 HD2 HIS 21 HD2 HIS 21 -2.889 -1.935 -2.871
150 HE1 HIS 21 HE1 HIS 21 -7.063 -2.014 -3.655
151 H CYS 22 H CYS 22 -1.149 1.813 -2.283
152 HA CYS 22 HA CYS 22 -2.077 0.712 0.233
153 HB2 CYS 22 HB2 CYS 22 0.537 1.958 -0.653
154 HB3 CYS 22 HB3 CYS 22 0.296 1.228 0.935
155 H ARG 23 H ARG 23 -1.658 3.964 -1.065
156 HA ARG 23 HA ARG 23 -1.788 5.236 1.571
157 HB2 ARG 23 HB2 ARG 23 -1.726 6.244 -1.296
158 HB3 ARG 23 HB3 ARG 23 -1.939 7.342 0.074
159 HG2 ARG 23 HG2 ARG 23 0.386 5.416 0.147
160 HG3 ARG 23 HG3 ARG 23 0.474 6.825 -0.914
161 HD2 ARG 23 HD2 ARG 23 1.465 7.341 1.252
162 HD3 ARG 23 HD3 ARG 23 0.029 8.333 0.948
163 HE ARG 23 HE ARG 23 -0.268 5.856 2.564
164 HH11 ARG 23 HH11 ARG 23 -0.155 9.391 2.448
165 HH12 ARG 23 HH12 ARG 23 -0.907 9.580 4.014
166 HH21 ARG 23 HH21 ARG 23 -1.215 6.139 4.610
167 HH22 ARG 23 HH22 ARG 23 -1.485 7.747 5.245
168 H SER 24 H SER 24 -4.019 3.577 -0.054
169 HA SER 24 HA SER 24 -6.221 5.243 1.044
170 HB2 SER 24 HB2 SER 24 -6.091 5.476 -1.452
171 HB3 SER 24 HB3 SER 24 -6.300 3.715 -1.585
172 HG SER 24 HG SER 24 -8.280 4.870 -1.748
173 H CYS 25 H CYS 25 -8.257 3.763 1.243
174 HA CYS 25 HA CYS 25 -7.357 1.497 2.821
175 HB2 CYS 25 HB2 CYS 25 -10.185 2.358 2.131
176 HB3 CYS 25 HB3 CYS 25 -9.696 1.214 3.383
177 H HIS 26 H HIS 26 -7.299 -0.619 2.301
178 HA HIS 26 HA HIS 26 -8.620 -1.549 -0.177
179 HB2 HIS 26 HB2 HIS 26 -6.440 -2.581 -0.871
180 HB3 HIS 26 HB3 HIS 26 -6.464 -0.806 -0.945
181 HD1 HIS 26 HD1 HIS 26 -4.760 0.477 0.583
182 HD2 HIS 26 HD2 HIS 26 -5.017 -3.671 1.271
183 HE1 HIS 26 HE1 HIS 26 -2.864 -0.111 2.219
184 HE2 HIS 26 HE2 HIS 26 -3.049 -2.644 2.633
185 H ARG 27 H ARG 27 -8.206 -3.985 -0.405
186 HA ARG 27 HA ARG 27 -9.043 -5.175 2.101
187 HB2 ARG 27 HB2 ARG 27 -9.926 -5.663 -0.263
188 HB3 ARG 27 HB3 ARG 27 -8.430 -6.557 -0.535
189 HG2 ARG 27 HG2 ARG 27 -10.224 -8.091 0.120
190 HG3 ARG 27 HG3 ARG 27 -8.989 -8.053 1.385
191 HD2 ARG 27 HD2 ARG 27 -11.308 -7.980 2.284
192 HD3 ARG 27 HD3 ARG 27 -10.380 -6.543 2.736
193 HE ARG 27 HE ARG 27 -11.527 -5.484 0.667
194 HH11 ARG 27 HH11 ARG 27 -13.070 -7.886 2.760
195 HH12 ARG 27 HH12 ARG 27 -14.683 -7.303 2.416
196 HH21 ARG 27 HH21 ARG 27 -13.601 -4.755 0.256
197 HH22 ARG 27 HH22 ARG 27 -14.987 -5.537 0.982
198 H GLY 28 H GLY 28 -7.940 -6.516 3.451
199 HA2 GLY 28 HA2 GLY 28 -5.074 -7.094 2.820
200 HA3 GLY 28 HA3 GLY 28 -5.726 -6.808 4.437
201 H ASP 29 H ASP 29 -4.513 -8.963 4.682
202 HA ASP 29 HA ASP 29 -5.931 -11.301 3.609
203 HB2 ASP 29 HB2 ASP 29 -3.470 -10.993 5.367
204 HB3 ASP 29 HB3 ASP 29 -4.111 -12.538 4.776
205 H VAL 30 H VAL 30 -6.193 -9.322 6.395
206 HA VAL 30 HA VAL 30 -7.682 -11.483 7.815
207 HB VAL 30 HB VAL 30 -5.879 -9.369 9.060
208 HG11 VAL 30 HG11 VAL 30 -7.474 -11.660 10.285
209 HG12 VAL 30 HG12 VAL 30 -6.263 -10.691 11.149
210 HG13 VAL 30 HG13 VAL 30 -7.741 -9.915 10.546
211 HG21 VAL 30 HG21 VAL 30 -5.548 -12.394 8.787
212 HG22 VAL 30 HG22 VAL 30 -4.575 -11.157 7.957
213 HG23 VAL 30 HG23 VAL 30 -4.482 -11.321 9.718
214 H GLY 31 H GLY 31 -7.613 -8.275 6.534
215 HA2 GLY 31 HA2 GLY 31 -10.333 -7.746 6.867
216 HA3 GLY 31 HA3 GLY 31 -9.519 -6.997 8.253
217 H CYS 32 H CYS 32 -10.639 -5.125 6.805
218 HA CYS 32 HA CYS 32 -8.928 -4.291 4.588
219 HB2 CYS 32 HB2 CYS 32 -11.315 -2.999 5.932
220 HB3 CYS 32 HB3 CYS 32 -10.412 -2.304 4.574
221 H VAL 33 H VAL 33 -7.487 -2.660 4.520
222 HA VAL 33 HA VAL 33 -6.831 -1.194 7.008
223 HB VAL 33 HB VAL 33 -4.438 -1.832 6.780
224 HG11 VAL 33 HG11 VAL 33 -6.303 -4.204 7.190
225 HG12 VAL 33 HG12 VAL 33 -4.617 -4.080 7.736
226 HG13 VAL 33 HG13 VAL 33 -5.851 -2.997 8.416
227 HG21 VAL 33 HG21 VAL 33 -4.477 -2.496 4.403
228 HG22 VAL 33 HG22 VAL 33 -3.815 -3.786 5.428
229 HG23 VAL 33 HG23 VAL 33 -5.474 -3.916 4.807
230 H ARG 34 H ARG 34 -5.087 0.362 6.666
231 HA ARG 34 HA ARG 34 -4.649 1.315 3.895
232 HB2 ARG 34 HB2 ARG 34 -5.044 3.665 4.735
233 HB3 ARG 34 HB3 ARG 34 -6.511 2.663 4.666
234 HG2 ARG 34 HG2 ARG 34 -6.332 2.204 7.088
235 HG3 ARG 34 HG3 ARG 34 -4.878 3.219 7.174
236 HD2 ARG 34 HD2 ARG 34 -6.144 5.188 6.565
237 HD3 ARG 34 HD3 ARG 34 -7.571 4.211 6.176
238 HE ARG 34 HE ARG 34 -7.196 3.554 8.771
239 HH11 ARG 34 HH11 ARG 34 -7.286 6.698 7.161
240 HH12 ARG 34 HH12 ARG 34 -7.895 7.533 8.575
241 HH21 ARG 34 HH21 ARG 34 -7.982 4.658 10.588
242 HH22 ARG 34 HH22 ARG 34 -8.285 6.375 10.515
243 H CYS 35 H CYS 35 -2.547 2.318 3.688
244 HA CYS 35 HA CYS 35 -0.831 1.891 6.102
245 HB2 CYS 35 HB2 CYS 35 -0.204 1.167 3.238
246 HB3 CYS 35 HB3 CYS 35 0.841 0.930 4.630
247 H SER 36 H SER 36 1.562 2.629 5.246
248 HA SER 36 HA SER 36 1.166 5.558 4.972
249 HB2 SER 36 HB2 SER 36 2.258 4.576 6.991
250 HB3 SER 36 HB3 SER 36 3.567 3.978 5.953
251 HG SER 36 HG SER 36 4.046 6.020 6.875
252 H ASN 37 H ASN 37 2.968 2.841 3.495
253 HA ASN 37 HA ASN 37 3.583 4.497 1.151
254 HB2 ASN 37 HB2 ASN 37 5.403 4.899 2.924
255 HB3 ASN 37 HB3 ASN 37 5.855 3.210 2.735
256 HD21 ASN 37 HD21 ASN 37 7.966 4.287 2.165
257 HD22 ASN 37 HD22 ASN 37 8.205 4.747 0.492
258 H ALA 38 H ALA 38 5.253 2.855 -0.255
259 HA ALA 38 HA ALA 38 4.353 0.079 -0.005
260 HB1 ALA 38 HB1 ALA 38 2.496 1.278 -1.203
261 HB2 ALA 38 HB2 ALA 38 3.671 1.743 -2.461
262 HB3 ALA 38 HB3 ALA 38 3.284 0.028 -2.193
263 H GLN 39 H GLN 39 5.266 -1.294 -1.729
264 HA GLN 39 HA GLN 39 7.366 -0.208 -3.436
265 HB2 GLN 39 HB2 GLN 39 9.110 -1.706 -2.610
266 HB3 GLN 39 HB3 GLN 39 8.596 -0.593 -1.328
267 HG2 GLN 39 HG2 GLN 39 7.247 -2.330 -0.287
268 HG3 GLN 39 HG3 GLN 39 7.560 -3.445 -1.632
269 HE21 GLN 39 HE21 GLN 39 9.420 -1.444 0.757
270 HE22 GLN 39 HE22 GLN 39 10.647 -2.668 1.029
271 H CYS 40 H CYS 40 8.209 -1.955 -4.900
272 HA CYS 40 HA CYS 40 6.060 -3.914 -5.458
273 HB2 CYS 40 HB2 CYS 40 8.443 -2.999 -7.092
274 HB3 CYS 40 HB3 CYS 40 7.239 -4.174 -7.624
275 H THR 41 H THR 41 6.429 -6.126 -5.565
276 HA THR 41 HA THR 41 9.038 -7.112 -4.511
277 HB THR 41 HB THR 41 7.790 -8.595 -2.971
278 HG1 THR 41 HG1 THR 41 5.592 -8.136 -2.646
279 HG21 THR 41 HG21 THR 41 7.084 -5.660 -2.584
280 HG22 THR 41 HG22 THR 41 7.181 -6.904 -1.318
281 HG23 THR 41 HG23 THR 41 8.655 -6.396 -2.183
282 H GLY 42 H GLY 42 8.822 -9.680 -4.440
283 HA2 GLY 42 HA2 GLY 42 8.496 -11.663 -5.594
284 HA3 GLY 42 HA3 GLY 42 7.294 -10.867 -6.613
285 H PHE 43 H PHE 43 8.735 -12.488 -8.039
286 HA PHE 43 HA PHE 43 11.301 -11.593 -8.905
287 HB2 PHE 43 HB2 PHE 43 10.412 -13.874 -9.221
288 HB3 PHE 43 HB3 PHE 43 9.201 -13.246 -10.342
289 HD1 PHE 43 HD1 PHE 43 12.935 -12.920 -9.906
290 HD2 PHE 43 HD2 PHE 43 9.647 -13.688 -12.568
291 HE1 PHE 43 HE1 PHE 43 14.525 -13.222 -11.782
292 HE2 PHE 43 HE2 PHE 43 11.231 -13.984 -14.445
293 HZ PHE 43 HZ PHE 43 13.679 -13.757 -14.058
294 H LEU 44 H LEU 44 11.932 -10.187 -10.482
295 HA LEU 44 HA LEU 44 11.839 -8.276 -11.673
296 HB2 LEU 44 HB2 LEU 44 9.490 -9.695 -12.981
297 HB3 LEU 44 HB3 LEU 44 10.366 -8.316 -13.663
298 HG LEU 44 HG LEU 44 11.590 -11.034 -13.009
299 HD11 LEU 44 HD11 LEU 44 10.859 -9.729 -15.666
300 HD12 LEU 44 HD12 LEU 44 11.704 -11.284 -15.464
301 HD13 LEU 44 HD13 LEU 44 10.029 -11.108 -14.910
302 HD21 LEU 44 HD21 LEU 44 13.259 -9.241 -12.825
303 HD22 LEU 44 HD22 LEU 44 13.525 -10.164 -14.316
304 HD23 LEU 44 HD23 LEU 44 12.740 -8.572 -14.392
305 H GLY 45 H GLY 45 9.960 -8.469 -9.181
306 HA2 GLY 45 HA2 GLY 45 8.791 -6.868 -8.040
307 HA3 GLY 45 HA3 GLY 45 9.155 -5.725 -9.348
308 H THR 46 H THR 46 7.425 -8.765 -10.000
309 HA THR 46 HA THR 46 5.321 -7.239 -11.239
310 HB THR 46 HB THR 46 4.377 -9.469 -11.799
311 HG1 THR 46 HG1 THR 46 5.610 -11.276 -11.180
312 HG21 THR 46 HG21 THR 46 7.371 -9.152 -12.280
313 HG22 THR 46 HG22 THR 46 6.278 -10.209 -13.203
314 HG23 THR 46 HG23 THR 46 6.063 -8.446 -13.255
315 H THR 47 H THR 47 5.699 -7.739 -8.008
316 HA THR 47 HA THR 47 2.755 -7.982 -7.563
317 HB THR 47 HB THR 47 5.006 -8.929 -5.755
318 HG1 THR 47 HG1 THR 47 4.715 -10.196 -7.626
319 HG21 THR 47 HG21 THR 47 3.130 -10.087 -4.564
320 HG22 THR 47 HG22 THR 47 3.038 -8.325 -4.447
321 HG23 THR 47 HG23 THR 47 1.974 -9.200 -5.584
322 H CYS 48 H CYS 48 1.903 -6.755 -5.768
323 HA CYS 48 HA CYS 48 3.524 -4.330 -5.129
324 HB2 CYS 48 HB2 CYS 48 1.603 -3.787 -6.487
325 HB3 CYS 48 HB3 CYS 48 0.550 -4.785 -5.475
326 H THR 49 H THR 49 3.758 -3.726 -3.021
327 HA THR 49 HA THR 49 2.265 -5.173 -0.908
328 HB THR 49 HB THR 49 5.303 -5.001 -1.106
329 HG1 THR 49 HG1 THR 49 4.382 -6.662 -2.328
330 HG21 THR 49 HG21 THR 49 4.618 -4.735 1.220
331 HG22 THR 49 HG22 THR 49 3.486 -6.108 1.078
332 HG23 THR 49 HG23 THR 49 5.245 -6.377 0.984
333 H CYS 50 H CYS 50 2.051 -3.993 1.013
334 HA CYS 50 HA CYS 50 2.694 -1.120 0.730
335 HB2 CYS 50 HB2 CYS 50 0.788 -2.507 2.633
336 HB3 CYS 50 HB3 CYS 50 0.985 -0.768 2.406
337 H ILE 51 H ILE 51 3.205 0.068 2.789
338 HA ILE 51 HA ILE 51 5.206 -1.473 4.373
339 HB ILE 51 HB ILE 51 5.090 1.464 3.617
340 HG12 ILE 51 HG12 ILE 51 5.669 0.053 1.692
341 HG13 ILE 51 HG13 ILE 51 7.038 1.029 2.217
342 HG21 ILE 51 HG21 ILE 51 6.158 1.250 5.759
343 HG22 ILE 51 HG22 ILE 51 7.150 -0.116 5.204
344 HG23 ILE 51 HG23 ILE 51 7.421 1.516 4.546
345 HD11 ILE 51 HD11 ILE 51 7.722 -1.260 1.639
346 HD12 ILE 51 HD12 ILE 51 8.014 -0.942 3.359
347 HD13 ILE 51 HD13 ILE 51 6.615 -1.930 2.851
348 H ASN 52 H ASN 52 5.310 -1.169 6.603
349 HA ASN 52 HA ASN 52 2.804 -0.595 7.871
350 HB2 ASN 52 HB2 ASN 52 4.021 -1.136 9.942
351 HB3 ASN 52 HB3 ASN 52 4.347 -2.322 8.673
352 HD21 ASN 52 HD21 ASN 52 6.453 -2.536 7.839
353 HD22 ASN 52 HD22 ASN 52 7.818 -1.662 8.507
354 HA PRO 53 HA PRO 53 2.314 -0.026 10.181
355 HB2 PRO 53 HB2 PRO 53 0.522 1.752 11.173
356 HB3 PRO 53 HB3 PRO 53 2.185 1.623 11.838
357 HG2 PRO 53 HG2 PRO 53 1.163 3.585 9.754
358 HG3 PRO 53 HG3 PRO 53 2.071 3.949 11.262
359 HD2 PRO 53 HD2 PRO 53 3.333 3.705 8.855
360 HD3 PRO 53 HD3 PRO 53 4.080 3.094 10.366
361 H CYS 54 H CYS 54 0.062 -0.661 9.944
362 HA CYS 54 HA CYS 54 -1.357 0.429 7.572
363 HB2 CYS 54 HB2 CYS 54 -0.618 -2.448 8.119
364 HB3 CYS 54 HB3 CYS 54 -1.924 -1.993 7.024
365 HA PRO 55 HA PRO 55 -4.000 -0.214 11.420
366 HB2 PRO 55 HB2 PRO 55 -5.223 2.245 11.366
367 HB3 PRO 55 HB3 PRO 55 -3.638 1.950 12.149
368 HG2 PRO 55 HG2 PRO 55 -4.161 2.990 9.344
369 HG3 PRO 55 HG3 PRO 55 -3.095 3.701 10.607
370 HD2 PRO 55 HD2 PRO 55 -2.042 2.122 8.700
371 HD3 PRO 55 HD3 PRO 55 -1.521 1.923 10.397
372 H ARG 56 H ARG 56 -6.417 -0.073 11.551
373 HA ARG 56 HA ARG 56 -7.561 -1.263 9.182
374 HB2 ARG 56 HB2 ARG 56 -8.773 -0.383 11.829
375 HB3 ARG 56 HB3 ARG 56 -9.639 -1.308 10.592
376 HG2 ARG 56 HG2 ARG 56 -7.103 -2.242 12.002
377 HG3 ARG 56 HG3 ARG 56 -8.754 -2.721 12.427
378 HD2 ARG 56 HD2 ARG 56 -9.060 -3.656 10.141
379 HD3 ARG 56 HD3 ARG 56 -7.387 -3.230 9.757
380 HE ARG 56 HE ARG 56 -6.593 -4.925 11.185
381 HH11 ARG 56 HH11 ARG 56 -10.126 -4.769 11.214
382 HH12 ARG 56 HH12 ARG 56 -10.307 -6.323 11.994
383 HH21 ARG 56 HH21 ARG 56 -6.854 -6.943 12.199
384 HH22 ARG 56 HH22 ARG 56 -8.455 -7.558 12.532
385 H CYS 57 H CYS 57 -9.620 -0.618 8.261
386 HA CYS 57 HA CYS 57 -10.363 2.221 8.398
387 HB2 CYS 57 HB2 CYS 57 -8.601 2.190 6.703
388 HB3 CYS 57 HB3 CYS 57 -9.422 0.889 5.837
Start of MODEL 3
1 HA PCA 1 HA PCA 1 -18.318 -1.162 0.231
2 HB2 PCA 1 HB2 PCA 1 -19.295 0.600 2.095
3 HB3 PCA 1 HB3 PCA 1 -19.817 -1.122 2.050
4 HG2 PCA 1 HG2 PCA 1 -18.995 -1.062 4.261
5 HG3 PCA 1 HG3 PCA 1 -17.739 0.162 3.850
6 H ASN 2 H ASN 2 -15.438 -0.399 1.883
7 HA ASN 2 HA ASN 2 -15.107 2.080 0.307
8 HB2 ASN 2 HB2 ASN 2 -14.184 3.280 2.180
9 HB3 ASN 2 HB3 ASN 2 -15.805 2.737 2.605
10 HD21 ASN 2 HD21 ASN 2 -14.174 3.494 4.638
11 HD22 ASN 2 HD22 ASN 2 -13.579 2.107 5.530
12 H CYS 3 H CYS 3 -14.143 -0.858 0.328
13 HA CYS 3 HA CYS 3 -11.276 -0.244 -0.025
14 HB2 CYS 3 HB2 CYS 3 -10.717 -2.299 1.302
15 HB3 CYS 3 HB3 CYS 3 -11.194 -0.878 2.228
16 HA PRO 4 HA PRO 4 -12.631 -3.149 -3.285
17 HB2 PRO 4 HB2 PRO 4 -11.218 -2.008 -5.306
18 HB3 PRO 4 HB3 PRO 4 -12.788 -1.344 -4.746
19 HG2 PRO 4 HG2 PRO 4 -9.991 -0.442 -3.990
20 HG3 PRO 4 HG3 PRO 4 -11.399 0.577 -4.476
21 HD2 PRO 4 HD2 PRO 4 -10.693 0.152 -1.874
22 HD3 PRO 4 HD3 PRO 4 -12.400 0.363 -2.385
23 H THR 5 H THR 5 -11.115 -4.483 -4.749
24 HA THR 5 HA THR 5 -8.537 -4.958 -3.320
25 HB THR 5 HB THR 5 -10.270 -7.001 -4.751
26 HG1 THR 5 HG1 THR 5 -10.781 -7.660 -2.652
27 HG21 THR 5 HG21 THR 5 -7.873 -7.563 -4.675
28 HG22 THR 5 HG22 THR 5 -7.844 -7.249 -2.926
29 HG23 THR 5 HG23 THR 5 -8.798 -8.608 -3.573
30 H ARG 6 H ARG 6 -6.805 -4.491 -4.556
31 HA ARG 6 HA ARG 6 -6.875 -5.099 -7.466
32 HB2 ARG 6 HB2 ARG 6 -5.804 -2.576 -6.143
33 HB3 ARG 6 HB3 ARG 6 -5.560 -3.002 -7.836
34 HG2 ARG 6 HG2 ARG 6 -8.332 -2.597 -6.636
35 HG3 ARG 6 HG3 ARG 6 -7.366 -1.288 -7.316
36 HD2 ARG 6 HD2 ARG 6 -8.808 -1.978 -9.053
37 HD3 ARG 6 HD3 ARG 6 -7.193 -2.583 -9.464
38 HE ARG 6 HE ARG 6 -8.857 -4.500 -8.013
39 HH11 ARG 6 HH11 ARG 6 -8.034 -3.239 -11.215
40 HH12 ARG 6 HH12 ARG 6 -8.551 -4.691 -12.042
41 HH21 ARG 6 HH21 ARG 6 -9.512 -6.363 -9.109
42 HH22 ARG 6 HH22 ARG 6 -9.382 -6.464 -10.850
43 H ARG 7 H ARG 7 -5.042 -6.046 -8.201
44 HA ARG 7 HA ARG 7 -2.617 -6.106 -6.486
45 HB2 ARG 7 HB2 ARG 7 -4.070 -8.531 -7.612
46 HB3 ARG 7 HB3 ARG 7 -2.456 -8.563 -6.888
47 HG2 ARG 7 HG2 ARG 7 -5.006 -7.699 -5.445
48 HG3 ARG 7 HG3 ARG 7 -4.213 -9.277 -5.309
49 HD2 ARG 7 HD2 ARG 7 -2.140 -8.136 -4.501
50 HD3 ARG 7 HD3 ARG 7 -2.993 -6.588 -4.527
51 HE ARG 7 HE ARG 7 -3.477 -8.880 -2.707
52 HH11 ARG 7 HH11 ARG 7 -4.276 -5.541 -3.604
53 HH12 ARG 7 HH12 ARG 7 -5.061 -5.210 -2.077
54 HH21 ARG 7 HH21 ARG 7 -4.538 -8.412 -0.761
55 HH22 ARG 7 HH22 ARG 7 -5.243 -6.835 -0.492
56 H GLY 8 H GLY 8 -0.716 -6.929 -7.730
57 HA2 GLY 8 HA2 GLY 8 0.587 -7.080 -9.629
58 HA3 GLY 8 HA3 GLY 8 -0.888 -7.205 -10.606
59 H LEU 9 H LEU 9 -0.677 -4.449 -8.470
60 HA LEU 9 HA LEU 9 -1.045 -2.585 -10.570
61 HB2 LEU 9 HB2 LEU 9 -0.064 -2.289 -7.705
62 HB3 LEU 9 HB3 LEU 9 -0.513 -0.922 -8.739
63 HG LEU 9 HG LEU 9 -2.411 -3.215 -8.062
64 HD11 LEU 9 HD11 LEU 9 -2.168 -0.450 -6.812
65 HD12 LEU 9 HD12 LEU 9 -3.432 -1.647 -6.461
66 HD13 LEU 9 HD13 LEU 9 -1.745 -1.991 -6.021
67 HD21 LEU 9 HD21 LEU 9 -2.842 -0.418 -9.204
68 HD22 LEU 9 HD22 LEU 9 -2.993 -1.937 -10.114
69 HD23 LEU 9 HD23 LEU 9 -4.129 -1.569 -8.799
70 H CYS 10 H CYS 10 1.917 -3.980 -9.286
71 HA CYS 10 HA CYS 10 3.636 -1.862 -10.255
72 HB2 CYS 10 HB2 CYS 10 4.125 -4.676 -9.242
73 HB3 CYS 10 HB3 CYS 10 5.419 -3.590 -9.741
74 H VAL 11 H VAL 11 1.769 -3.944 -12.004
75 HA VAL 11 HA VAL 11 3.787 -4.075 -14.203
76 HB VAL 11 HB VAL 11 1.641 -6.134 -13.545
77 HG11 VAL 11 HG11 VAL 11 3.865 -6.109 -15.638
78 HG12 VAL 11 HG12 VAL 11 2.821 -7.498 -15.261
79 HG13 VAL 11 HG13 VAL 11 2.113 -6.031 -15.954
80 HG21 VAL 11 HG21 VAL 11 3.458 -6.233 -11.908
81 HG22 VAL 11 HG22 VAL 11 3.553 -7.615 -13.010
82 HG23 VAL 11 HG23 VAL 11 4.666 -6.243 -13.219
83 H THR 12 H THR 12 0.476 -3.358 -13.168
84 HA THR 12 HA THR 12 -0.388 -3.007 -15.976
85 HB THR 12 HB THR 12 -2.609 -2.625 -14.944
86 HG1 THR 12 HG1 THR 12 -2.791 -2.978 -12.716
87 HG21 THR 12 HG21 THR 12 -1.884 -4.922 -15.551
88 HG22 THR 12 HG22 THR 12 -1.198 -5.126 -13.923
89 HG23 THR 12 HG23 THR 12 -2.955 -4.921 -14.132
90 H SER 13 H SER 13 0.750 -1.091 -13.267
91 HA SER 13 HA SER 13 0.309 1.358 -14.875
92 HB2 SER 13 HB2 SER 13 -0.716 0.785 -12.081
93 HB3 SER 13 HB3 SER 13 -0.404 2.431 -12.657
94 HG SER 13 HG SER 13 -2.580 1.759 -13.031
95 H GLY 14 H GLY 14 2.064 -0.441 -12.408
96 HA2 GLY 14 HA2 GLY 14 4.432 -0.116 -12.173
97 HA3 GLY 14 HA3 GLY 14 4.229 1.602 -12.517
98 H LEU 15 H LEU 15 5.678 1.430 -10.455
99 HA LEU 15 HA LEU 15 4.647 0.682 -7.949
100 HB2 LEU 15 HB2 LEU 15 7.011 1.061 -8.374
101 HB3 LEU 15 HB3 LEU 15 6.703 2.755 -8.788
102 HG LEU 15 HG LEU 15 6.004 3.223 -6.477
103 HD11 LEU 15 HD11 LEU 15 5.153 0.973 -5.829
104 HD12 LEU 15 HD12 LEU 15 6.810 0.326 -5.945
105 HD13 LEU 15 HD13 LEU 15 6.392 1.540 -4.704
106 HD21 LEU 15 HD21 LEU 15 8.358 3.487 -7.137
107 HD22 LEU 15 HD22 LEU 15 8.225 2.981 -5.436
108 HD23 LEU 15 HD23 LEU 15 8.688 1.804 -6.685
109 H THR 16 H THR 16 4.112 3.648 -9.824
110 HA THR 16 HA THR 16 3.332 5.325 -7.669
111 HB THR 16 HB THR 16 2.313 5.371 -10.533
112 HG1 THR 16 HG1 THR 16 4.139 6.698 -10.866
113 HG21 THR 16 HG21 THR 16 2.678 7.546 -8.420
114 HG22 THR 16 HG22 THR 16 2.218 7.830 -10.112
115 HG23 THR 16 HG23 THR 16 1.129 6.926 -9.042
116 H ALA 17 H ALA 17 1.492 2.853 -9.519
117 HA ALA 17 HA ALA 17 -1.027 3.717 -8.309
118 HB1 ALA 17 HB1 ALA 17 -1.950 1.779 -9.506
119 HB2 ALA 17 HB2 ALA 17 -0.951 2.797 -10.573
120 HB3 ALA 17 HB3 ALA 17 -0.306 1.261 -9.946
121 H CYS 18 H CYS 18 1.503 1.299 -7.703
122 HA CYS 18 HA CYS 18 0.028 -0.206 -5.739
123 HB2 CYS 18 HB2 CYS 18 1.997 -1.084 -6.885
124 HB3 CYS 18 HB3 CYS 18 2.993 0.230 -6.251
125 H ARG 19 H ARG 19 1.905 2.799 -5.704
126 HA ARG 19 HA ARG 19 2.003 2.961 -2.796
127 HB2 ARG 19 HB2 ARG 19 3.681 3.861 -4.531
128 HB3 ARG 19 HB3 ARG 19 2.521 5.171 -4.811
129 HG2 ARG 19 HG2 ARG 19 2.609 5.723 -2.361
130 HG3 ARG 19 HG3 ARG 19 3.805 4.428 -2.139
131 HD2 ARG 19 HD2 ARG 19 5.295 5.566 -3.782
132 HD3 ARG 19 HD3 ARG 19 4.105 6.874 -3.917
133 HE ARG 19 HE ARG 19 5.223 6.184 -1.247
134 HH11 ARG 19 HH11 ARG 19 5.086 8.455 -3.958
135 HH12 ARG 19 HH12 ARG 19 5.788 9.766 -3.041
136 HH21 ARG 19 HH21 ARG 19 6.130 7.914 -0.079
137 HH22 ARG 19 HH22 ARG 19 6.385 9.460 -0.860
138 H ASN 20 H ASN 20 -0.085 4.160 -5.389
139 HA ASN 20 HA ASN 20 -1.536 5.960 -3.599
140 HB2 ASN 20 HB2 ASN 20 -2.106 4.921 -6.399
141 HB3 ASN 20 HB3 ASN 20 -3.097 6.121 -5.559
142 HD21 ASN 20 HD21 ASN 20 -1.999 6.788 -7.987
143 HD22 ASN 20 HD22 ASN 20 -0.721 7.969 -7.759
144 H HIS 21 H HIS 21 -1.699 2.543 -4.424
145 HA HIS 21 HA HIS 21 -4.452 2.263 -3.491
146 HB2 HIS 21 HB2 HIS 21 -3.489 0.888 -5.304
147 HB3 HIS 21 HB3 HIS 21 -2.307 0.222 -4.171
148 HD1 HIS 21 HD1 HIS 21 -6.173 0.280 -4.574
149 HD2 HIS 21 HD2 HIS 21 -3.022 -1.938 -2.901
150 HE1 HIS 21 HE1 HIS 21 -7.200 -1.881 -3.677
151 H CYS 22 H CYS 22 -1.143 1.733 -2.234
152 HA CYS 22 HA CYS 22 -2.033 0.501 0.225
153 HB2 CYS 22 HB2 CYS 22 0.542 1.805 -0.663
154 HB3 CYS 22 HB3 CYS 22 0.346 1.084 0.933
155 H ARG 23 H ARG 23 -1.634 3.851 -0.869
156 HA ARG 23 HA ARG 23 -1.811 4.865 1.888
157 HB2 ARG 23 HB2 ARG 23 -1.526 6.244 -0.797
158 HB3 ARG 23 HB3 ARG 23 -1.678 7.099 0.751
159 HG2 ARG 23 HG2 ARG 23 0.292 5.883 1.631
160 HG3 ARG 23 HG3 ARG 23 0.527 5.107 0.058
161 HD2 ARG 23 HD2 ARG 23 0.560 8.109 0.587
162 HD3 ARG 23 HD3 ARG 23 1.985 7.087 0.327
163 HE ARG 23 HE ARG 23 0.318 6.700 -1.898
164 HH11 ARG 23 HH11 ARG 23 2.104 9.349 -0.378
165 HH12 ARG 23 HH12 ARG 23 2.328 10.215 -1.881
166 HH21 ARG 23 HH21 ARG 23 0.615 7.888 -3.858
167 HH22 ARG 23 HH22 ARG 23 1.514 9.380 -3.831
168 H SER 24 H SER 24 -4.013 3.460 0.052
169 HA SER 24 HA SER 24 -6.197 5.206 1.081
170 HB2 SER 24 HB2 SER 24 -6.173 3.644 -1.533
171 HB3 SER 24 HB3 SER 24 -7.542 4.555 -0.866
172 HG SER 24 HG SER 24 -5.057 5.546 -1.779
173 H CYS 25 H CYS 25 -8.255 3.897 1.420
174 HA CYS 25 HA CYS 25 -7.588 1.560 2.964
175 HB2 CYS 25 HB2 CYS 25 -9.449 3.180 3.421
176 HB3 CYS 25 HB3 CYS 25 -10.304 2.528 2.019
177 H HIS 26 H HIS 26 -7.422 -0.534 2.317
178 HA HIS 26 HA HIS 26 -8.730 -1.396 -0.199
179 HB2 HIS 26 HB2 HIS 26 -6.557 -2.423 -0.900
180 HB3 HIS 26 HB3 HIS 26 -6.531 -0.658 -0.898
181 HD1 HIS 26 HD1 HIS 26 -4.764 0.486 0.646
182 HD2 HIS 26 HD2 HIS 26 -5.265 -3.650 1.267
183 HE1 HIS 26 HE1 HIS 26 -2.916 -0.236 2.289
184 HE2 HIS 26 HE2 HIS 26 -3.258 -2.749 2.676
185 H ARG 27 H ARG 27 -8.451 -3.812 -0.475
186 HA ARG 27 HA ARG 27 -9.212 -5.076 2.028
187 HB2 ARG 27 HB2 ARG 27 -10.333 -5.535 -0.157
188 HB3 ARG 27 HB3 ARG 27 -8.818 -6.230 -0.756
189 HG2 ARG 27 HG2 ARG 27 -10.350 -7.993 -0.035
190 HG3 ARG 27 HG3 ARG 27 -8.912 -7.969 0.998
191 HD2 ARG 27 HD2 ARG 27 -10.181 -6.687 2.714
192 HD3 ARG 27 HD3 ARG 27 -11.620 -6.741 1.666
193 HE ARG 27 HE ARG 27 -10.572 -9.380 2.155
194 HH11 ARG 27 HH11 ARG 27 -12.451 -6.788 3.649
195 HH12 ARG 27 HH12 ARG 27 -13.303 -7.869 4.732
196 HH21 ARG 27 HH21 ARG 27 -11.703 -10.767 3.572
197 HH22 ARG 27 HH22 ARG 27 -12.882 -10.115 4.684
198 H GLY 28 H GLY 28 -8.046 -6.358 3.319
199 HA2 GLY 28 HA2 GLY 28 -5.227 -6.992 2.591
200 HA3 GLY 28 HA3 GLY 28 -5.886 -6.856 4.230
201 H ASP 29 H ASP 29 -4.823 -9.010 4.490
202 HA ASP 29 HA ASP 29 -6.054 -11.262 3.075
203 HB2 ASP 29 HB2 ASP 29 -3.936 -11.093 5.247
204 HB3 ASP 29 HB3 ASP 29 -4.437 -12.579 4.429
205 H VAL 30 H VAL 30 -6.776 -9.478 5.912
206 HA VAL 30 HA VAL 30 -8.597 -11.651 6.790
207 HB VAL 30 HB VAL 30 -6.504 -11.746 8.113
208 HG11 VAL 30 HG11 VAL 30 -7.302 -8.962 9.070
209 HG12 VAL 30 HG12 VAL 30 -5.979 -9.962 9.717
210 HG13 VAL 30 HG13 VAL 30 -5.894 -9.352 8.056
211 HG21 VAL 30 HG21 VAL 30 -8.688 -12.421 9.088
212 HG22 VAL 30 HG22 VAL 30 -7.530 -11.823 10.302
213 HG23 VAL 30 HG23 VAL 30 -8.861 -10.777 9.767
214 H GLY 31 H GLY 31 -8.074 -8.340 6.048
215 HA2 GLY 31 HA2 GLY 31 -10.776 -7.588 6.367
216 HA3 GLY 31 HA3 GLY 31 -9.891 -7.041 7.800
217 H CYS 32 H CYS 32 -10.859 -4.986 6.419
218 HA CYS 32 HA CYS 32 -8.965 -4.208 4.318
219 HB2 CYS 32 HB2 CYS 32 -11.421 -2.843 5.445
220 HB3 CYS 32 HB3 CYS 32 -10.384 -2.177 4.175
221 H VAL 33 H VAL 33 -7.474 -2.613 4.392
222 HA VAL 33 HA VAL 33 -7.031 -1.121 6.897
223 HB VAL 33 HB VAL 33 -4.681 -1.851 7.007
224 HG11 VAL 33 HG11 VAL 33 -6.591 -4.223 7.140
225 HG12 VAL 33 HG12 VAL 33 -5.041 -4.051 7.989
226 HG13 VAL 33 HG13 VAL 33 -6.399 -2.988 8.406
227 HG21 VAL 33 HG21 VAL 33 -4.369 -2.554 4.664
228 HG22 VAL 33 HG22 VAL 33 -3.941 -3.860 5.787
229 HG23 VAL 33 HG23 VAL 33 -5.490 -3.913 4.917
230 H ARG 34 H ARG 34 -5.226 0.422 6.651
231 HA ARG 34 HA ARG 34 -4.553 1.154 3.853
232 HB2 ARG 34 HB2 ARG 34 -4.902 3.540 4.416
233 HB3 ARG 34 HB3 ARG 34 -6.407 2.608 4.483
234 HG2 ARG 34 HG2 ARG 34 -6.195 2.441 6.955
235 HG3 ARG 34 HG3 ARG 34 -4.700 3.402 6.893
236 HD2 ARG 34 HD2 ARG 34 -5.916 5.299 5.952
237 HD3 ARG 34 HD3 ARG 34 -7.407 4.331 5.867
238 HE ARG 34 HE ARG 34 -6.533 4.266 8.548
239 HH11 ARG 34 HH11 ARG 34 -7.720 6.650 6.225
240 HH12 ARG 34 HH12 ARG 34 -8.439 7.662 7.458
241 HH21 ARG 34 HH21 ARG 34 -7.454 5.607 10.131
242 HH22 ARG 34 HH22 ARG 34 -8.287 7.071 9.661
243 H CYS 35 H CYS 35 -2.463 2.225 3.703
244 HA CYS 35 HA CYS 35 -0.806 1.831 6.154
245 HB2 CYS 35 HB2 CYS 35 -0.093 1.133 3.302
246 HB3 CYS 35 HB3 CYS 35 0.925 0.888 4.721
247 H SER 36 H SER 36 1.602 2.639 5.302
248 HA SER 36 HA SER 36 1.125 5.554 4.981
249 HB2 SER 36 HB2 SER 36 2.249 4.587 7.016
250 HB3 SER 36 HB3 SER 36 3.599 4.109 5.968
251 HG SER 36 HG SER 36 3.860 6.306 5.412
252 H ASN 37 H ASN 37 2.945 2.851 3.525
253 HA ASN 37 HA ASN 37 3.506 4.495 1.162
254 HB2 ASN 37 HB2 ASN 37 5.334 4.951 2.915
255 HB3 ASN 37 HB3 ASN 37 5.838 3.275 2.699
256 HD21 ASN 37 HD21 ASN 37 7.895 4.441 2.081
257 HD22 ASN 37 HD22 ASN 37 8.077 4.906 0.402
258 H ALA 38 H ALA 38 5.188 2.899 -0.253
259 HA ALA 38 HA ALA 38 4.368 0.092 0.017
260 HB1 ALA 38 HB1 ALA 38 3.632 1.727 -2.438
261 HB2 ALA 38 HB2 ALA 38 3.282 0.010 -2.163
262 HB3 ALA 38 HB3 ALA 38 2.478 1.249 -1.167
263 H GLN 39 H GLN 39 5.317 -1.262 -1.707
264 HA GLN 39 HA GLN 39 7.339 -0.109 -3.456
265 HB2 GLN 39 HB2 GLN 39 9.162 -1.522 -2.662
266 HB3 GLN 39 HB3 GLN 39 8.631 -0.427 -1.375
267 HG2 GLN 39 HG2 GLN 39 7.373 -2.226 -0.309
268 HG3 GLN 39 HG3 GLN 39 7.732 -3.330 -1.648
269 HE21 GLN 39 HE21 GLN 39 9.516 -1.184 0.678
270 HE22 GLN 39 HE22 GLN 39 10.812 -2.330 0.962
271 H CYS 40 H CYS 40 8.226 -1.831 -4.933
272 HA CYS 40 HA CYS 40 6.137 -3.873 -5.435
273 HB2 CYS 40 HB2 CYS 40 8.421 -2.837 -7.138
274 HB3 CYS 40 HB3 CYS 40 7.290 -4.099 -7.632
275 H THR 41 H THR 41 6.580 -6.054 -5.533
276 HA THR 41 HA THR 41 9.239 -6.975 -4.569
277 HB THR 41 HB THR 41 8.098 -8.439 -2.935
278 HG1 THR 41 HG1 THR 41 5.897 -8.049 -2.544
279 HG21 THR 41 HG21 THR 41 7.501 -6.744 -1.296
280 HG22 THR 41 HG22 THR 41 8.908 -6.187 -2.232
281 HG23 THR 41 HG23 THR 41 7.289 -5.526 -2.575
282 H GLY 42 H GLY 42 9.005 -9.577 -4.422
283 HA2 GLY 42 HA2 GLY 42 8.589 -11.581 -5.496
284 HA3 GLY 42 HA3 GLY 42 7.347 -10.782 -6.470
285 H PHE 43 H PHE 43 8.554 -12.417 -7.999
286 HA PHE 43 HA PHE 43 11.132 -11.764 -8.995
287 HB2 PHE 43 HB2 PHE 43 10.003 -13.936 -9.297
288 HB3 PHE 43 HB3 PHE 43 8.783 -13.162 -10.312
289 HD1 PHE 43 HD2 PHE 43 12.551 -13.314 -10.140
290 HD2 PHE 43 HD1 PHE 43 9.023 -13.514 -12.594
291 HE1 PHE 43 HE2 PHE 43 13.964 -13.730 -12.134
292 HE2 PHE 43 HE1 PHE 43 10.441 -13.948 -14.583
293 HZ PHE 43 HZ PHE 43 12.908 -14.050 -14.357
294 H LEU 44 H LEU 44 11.830 -10.350 -10.508
295 HA LEU 44 HA LEU 44 11.870 -8.422 -11.661
296 HB2 LEU 44 HB2 LEU 44 9.455 -9.669 -13.017
297 HB3 LEU 44 HB3 LEU 44 10.431 -8.349 -13.673
298 HG LEU 44 HG LEU 44 11.452 -11.151 -13.037
299 HD11 LEU 44 HD11 LEU 44 10.886 -9.754 -15.684
300 HD12 LEU 44 HD12 LEU 44 11.569 -11.388 -15.484
301 HD13 LEU 44 HD13 LEU 44 9.907 -11.053 -14.960
302 HD21 LEU 44 HD21 LEU 44 13.244 -9.484 -12.802
303 HD22 LEU 44 HD22 LEU 44 13.467 -10.407 -14.298
304 HD23 LEU 44 HD23 LEU 44 12.800 -8.759 -14.369
305 H GLY 45 H GLY 45 10.053 -8.461 -9.172
306 HA2 GLY 45 HA2 GLY 45 8.962 -6.801 -8.035
307 HA3 GLY 45 HA3 GLY 45 9.298 -5.701 -9.384
308 H THR 46 H THR 46 7.565 -8.715 -10.001
309 HA THR 46 HA THR 46 5.406 -7.187 -11.158
310 HB THR 46 HB THR 46 4.495 -9.424 -11.776
311 HG1 THR 46 HG1 THR 46 6.878 -10.409 -10.619
312 HG21 THR 46 HG21 THR 46 6.074 -8.269 -13.252
313 HG22 THR 46 HG22 THR 46 7.446 -8.961 -12.368
314 HG23 THR 46 HG23 THR 46 6.356 -10.020 -13.295
315 H THR 47 H THR 47 5.823 -7.622 -7.982
316 HA THR 47 HA THR 47 2.899 -7.985 -7.501
317 HB THR 47 HB THR 47 5.184 -8.909 -5.723
318 HG1 THR 47 HG1 THR 47 4.446 -10.962 -6.343
319 HG21 THR 47 HG21 THR 47 2.160 -9.219 -5.506
320 HG22 THR 47 HG22 THR 47 3.345 -10.092 -4.505
321 HG23 THR 47 HG23 THR 47 3.224 -8.330 -4.385
322 H CYS 48 H CYS 48 2.011 -6.746 -5.757
323 HA CYS 48 HA CYS 48 3.593 -4.308 -5.094
324 HB2 CYS 48 HB2 CYS 48 1.637 -3.822 -6.420
325 HB3 CYS 48 HB3 CYS 48 0.629 -4.837 -5.387
326 H THR 49 H THR 49 3.880 -3.716 -2.988
327 HA THR 49 HA THR 49 2.442 -5.204 -0.863
328 HB THR 49 HB THR 49 5.469 -4.941 -1.080
329 HG1 THR 49 HG1 THR 49 4.570 -6.626 -2.285
330 HG21 THR 49 HG21 THR 49 3.701 -6.065 1.130
331 HG22 THR 49 HG22 THR 49 5.462 -6.310 1.023
332 HG23 THR 49 HG23 THR 49 4.810 -4.678 1.250
333 H CYS 50 H CYS 50 2.229 -4.050 1.087
334 HA CYS 50 HA CYS 50 2.763 -1.149 0.795
335 HB2 CYS 50 HB2 CYS 50 0.896 -2.593 2.687
336 HB3 CYS 50 HB3 CYS 50 1.028 -0.848 2.442
337 H ILE 51 H ILE 51 3.270 0.059 2.799
338 HA ILE 51 HA ILE 51 5.314 -1.416 4.395
339 HB ILE 51 HB ILE 51 5.113 1.503 3.600
340 HG12 ILE 51 HG12 ILE 51 5.716 0.095 1.684
341 HG13 ILE 51 HG13 ILE 51 7.068 1.106 2.198
342 HG21 ILE 51 HG21 ILE 51 7.240 0.003 5.178
343 HG22 ILE 51 HG22 ILE 51 7.437 1.643 4.516
344 HG23 ILE 51 HG23 ILE 51 6.197 1.335 5.743
345 HD11 ILE 51 HD11 ILE 51 7.812 -1.158 1.634
346 HD12 ILE 51 HD12 ILE 51 8.095 -0.828 3.352
347 HD13 ILE 51 HD13 ILE 51 6.723 -1.852 2.850
348 H ASN 52 H ASN 52 5.331 -1.202 6.608
349 HA ASN 52 HA ASN 52 2.840 -0.597 7.868
350 HB2 ASN 52 HB2 ASN 52 5.614 -1.094 9.029
351 HB3 ASN 52 HB3 ASN 52 4.104 -1.135 9.947
352 HD21 ASN 52 HD21 ASN 52 2.459 -2.783 9.315
353 HD22 ASN 52 HD22 ASN 52 3.016 -4.289 8.618
354 HA PRO 53 HA PRO 53 2.349 -0.040 10.206
355 HB2 PRO 53 HB2 PRO 53 0.551 1.737 11.181
356 HB3 PRO 53 HB3 PRO 53 2.211 1.618 11.849
357 HG2 PRO 53 HG2 PRO 53 1.198 3.562 9.757
358 HG3 PRO 53 HG3 PRO 53 2.092 3.935 11.273
359 HD2 PRO 53 HD2 PRO 53 3.390 3.695 8.891
360 HD3 PRO 53 HD3 PRO 53 4.113 3.069 10.400
361 H CYS 54 H CYS 54 0.059 -0.639 9.995
362 HA CYS 54 HA CYS 54 -1.308 0.392 7.580
363 HB2 CYS 54 HB2 CYS 54 -0.571 -2.480 8.182
364 HB3 CYS 54 HB3 CYS 54 -1.857 -2.052 7.065
365 HA PRO 55 HA PRO 55 -4.007 -0.202 11.384
366 HB2 PRO 55 HB2 PRO 55 -5.206 2.262 11.324
367 HB3 PRO 55 HB3 PRO 55 -3.620 1.965 12.108
368 HG2 PRO 55 HG2 PRO 55 -4.128 2.978 9.290
369 HG3 PRO 55 HG3 PRO 55 -3.066 3.712 10.546
370 HD2 PRO 55 HD2 PRO 55 -2.009 2.106 8.668
371 HD3 PRO 55 HD3 PRO 55 -1.494 1.919 10.368
372 H ARG 56 H ARG 56 -6.394 -0.155 11.478
373 HA ARG 56 HA ARG 56 -7.496 -1.180 8.999
374 HB2 ARG 56 HB2 ARG 56 -8.742 -0.678 11.724
375 HB3 ARG 56 HB3 ARG 56 -9.525 -1.534 10.375
376 HG2 ARG 56 HG2 ARG 56 -7.673 -3.202 10.370
377 HG3 ARG 56 HG3 ARG 56 -6.940 -2.385 11.766
378 HD2 ARG 56 HD2 ARG 56 -9.726 -3.611 11.684
379 HD3 ARG 56 HD3 ARG 56 -8.291 -4.359 12.411
380 HE ARG 56 HE ARG 56 -8.558 -1.826 13.598
381 HH11 ARG 56 HH11 ARG 56 -10.408 -4.839 13.425
382 HH12 ARG 56 HH12 ARG 56 -11.154 -4.600 14.988
383 HH21 ARG 56 HH21 ARG 56 -9.550 -1.546 15.627
384 HH22 ARG 56 HH22 ARG 56 -10.682 -2.739 16.219
385 H CYS 57 H CYS 57 -9.570 -0.498 8.109
386 HA CYS 57 HA CYS 57 -10.348 2.303 8.467
387 HB2 CYS 57 HB2 CYS 57 -9.956 2.837 6.089
388 HB3 CYS 57 HB3 CYS 57 -8.460 2.494 6.963
Start of MODEL 4
1 HA PCA 1 HA PCA 1 -17.512 -1.132 -0.892
2 HB2 PCA 1 HB2 PCA 1 -15.035 -2.889 -0.916
3 HB3 PCA 1 HB3 PCA 1 -16.301 -2.771 0.354
4 HG2 PCA 1 HG2 PCA 1 -17.852 -4.001 -0.969
5 HG3 PCA 1 HG3 PCA 1 -16.325 -4.757 -1.555
6 H ASN 2 H ASN 2 -15.865 -0.093 0.632
7 HA ASN 2 HA ASN 2 -14.374 1.921 -0.840
8 HB2 ASN 2 HB2 ASN 2 -15.806 2.316 1.227
9 HB3 ASN 2 HB3 ASN 2 -14.558 1.483 2.164
10 HD21 ASN 2 HD21 ASN 2 -14.430 3.543 3.353
11 HD22 ASN 2 HD22 ASN 2 -13.446 4.841 2.692
12 H CYS 3 H CYS 3 -13.625 -1.157 -0.330
13 HA CYS 3 HA CYS 3 -10.728 -0.652 -0.256
14 HB2 CYS 3 HB2 CYS 3 -10.530 -2.541 1.453
15 HB3 CYS 3 HB3 CYS 3 -10.918 -0.925 2.021
16 HA PRO 4 HA PRO 4 -11.843 -4.017 -3.195
17 HB2 PRO 4 HB2 PRO 4 -10.460 -3.098 -5.332
18 HB3 PRO 4 HB3 PRO 4 -12.033 -2.379 -4.871
19 HG2 PRO 4 HG2 PRO 4 -9.257 -1.372 -4.147
20 HG3 PRO 4 HG3 PRO 4 -10.601 -0.437 -4.872
21 HD2 PRO 4 HD2 PRO 4 -10.135 -0.435 -2.191
22 HD3 PRO 4 HD3 PRO 4 -11.797 -0.399 -2.845
23 H THR 5 H THR 5 -10.134 -5.305 -4.587
24 HA THR 5 HA THR 5 -7.595 -5.512 -3.028
25 HB THR 5 HB THR 5 -9.140 -7.796 -4.320
26 HG1 THR 5 HG1 THR 5 -9.736 -8.301 -2.215
27 HG21 THR 5 HG21 THR 5 -6.718 -8.200 -4.060
28 HG22 THR 5 HG22 THR 5 -6.805 -7.725 -2.353
29 HG23 THR 5 HG23 THR 5 -7.646 -9.189 -2.915
30 H ARG 6 H ARG 6 -5.777 -5.325 -4.202
31 HA ARG 6 HA ARG 6 -5.745 -6.100 -7.065
32 HB2 ARG 6 HB2 ARG 6 -4.848 -3.412 -5.937
33 HB3 ARG 6 HB3 ARG 6 -4.524 -3.969 -7.583
34 HG2 ARG 6 HG2 ARG 6 -7.308 -3.537 -6.423
35 HG3 ARG 6 HG3 ARG 6 -6.423 -2.372 -7.425
36 HD2 ARG 6 HD2 ARG 6 -6.307 -4.007 -9.258
37 HD3 ARG 6 HD3 ARG 6 -7.219 -5.180 -8.287
38 HE ARG 6 HE ARG 6 -8.671 -2.723 -8.449
39 HH11 ARG 6 HH11 ARG 6 -7.761 -5.523 -10.412
40 HH12 ARG 6 HH12 ARG 6 -9.155 -5.386 -11.459
41 HH21 ARG 6 HH21 ARG 6 -10.477 -2.572 -9.829
42 HH22 ARG 6 HH22 ARG 6 -10.687 -3.721 -11.126
43 H ARG 7 H ARG 7 -3.702 -6.792 -7.750
44 HA ARG 7 HA ARG 7 -1.554 -6.859 -5.665
45 HB2 ARG 7 HB2 ARG 7 -2.444 -9.175 -7.426
46 HB3 ARG 7 HB3 ARG 7 -1.135 -9.212 -6.248
47 HG2 ARG 7 HG2 ARG 7 -4.103 -8.870 -5.627
48 HG3 ARG 7 HG3 ARG 7 -3.150 -10.339 -5.418
49 HD2 ARG 7 HD2 ARG 7 -2.803 -7.725 -3.901
50 HD3 ARG 7 HD3 ARG 7 -3.430 -9.249 -3.273
51 HE ARG 7 HE ARG 7 -1.163 -10.224 -3.637
52 HH11 ARG 7 HH11 ARG 7 -1.504 -6.698 -3.409
53 HH12 ARG 7 HH12 ARG 7 0.174 -6.474 -2.964
54 HH21 ARG 7 HH21 ARG 7 1.000 -9.862 -3.010
55 HH22 ARG 7 HH22 ARG 7 1.558 -8.227 -2.724
56 H GLY 8 H GLY 8 -2.483 -6.595 -9.040
57 HA2 GLY 8 HA2 GLY 8 0.287 -7.006 -9.983
58 HA3 GLY 8 HA3 GLY 8 -1.180 -6.962 -10.967
59 H LEU 9 H LEU 9 -0.846 -4.422 -8.577
60 HA LEU 9 HA LEU 9 -1.163 -2.394 -10.509
61 HB2 LEU 9 HB2 LEU 9 -0.071 -2.298 -7.672
62 HB3 LEU 9 HB3 LEU 9 -0.580 -0.882 -8.605
63 HG LEU 9 HG LEU 9 -2.394 -3.237 -7.907
64 HD11 LEU 9 HD11 LEU 9 -1.705 -1.971 -5.905
65 HD12 LEU 9 HD12 LEU 9 -2.183 -0.453 -6.703
66 HD13 LEU 9 HD13 LEU 9 -3.414 -1.665 -6.296
67 HD21 LEU 9 HD21 LEU 9 -2.965 -0.481 -9.087
68 HD22 LEU 9 HD22 LEU 9 -3.112 -2.034 -9.941
69 HD23 LEU 9 HD23 LEU 9 -4.199 -1.659 -8.589
70 H CYS 10 H CYS 10 1.807 -3.942 -9.368
71 HA CYS 10 HA CYS 10 3.489 -1.762 -10.309
72 HB2 CYS 10 HB2 CYS 10 4.061 -4.570 -9.325
73 HB3 CYS 10 HB3 CYS 10 5.317 -3.442 -9.827
74 H VAL 11 H VAL 11 1.623 -3.796 -12.040
75 HA VAL 11 HA VAL 11 3.586 -3.894 -14.288
76 HB VAL 11 HB VAL 11 1.420 -5.929 -13.634
77 HG11 VAL 11 HG11 VAL 11 1.797 -5.740 -16.053
78 HG12 VAL 11 HG12 VAL 11 3.556 -5.866 -15.805
79 HG13 VAL 11 HG13 VAL 11 2.500 -7.248 -15.441
80 HG21 VAL 11 HG21 VAL 11 3.311 -6.103 -12.076
81 HG22 VAL 11 HG22 VAL 11 3.340 -7.454 -13.221
82 HG23 VAL 11 HG23 VAL 11 4.459 -6.087 -13.438
83 H THR 12 H THR 12 0.325 -3.136 -13.151
84 HA THR 12 HA THR 12 -0.632 -2.672 -15.889
85 HB THR 12 HB THR 12 -2.744 -2.053 -14.741
86 HG1 THR 12 HG1 THR 12 -2.833 -2.372 -12.503
87 HG21 THR 12 HG21 THR 12 -3.275 -4.289 -13.889
88 HG22 THR 12 HG22 THR 12 -2.279 -4.410 -15.356
89 HG23 THR 12 HG23 THR 12 -1.545 -4.676 -13.758
90 H SER 13 H SER 13 0.968 -0.886 -13.410
91 HA SER 13 HA SER 13 0.776 1.549 -15.061
92 HB2 SER 13 HB2 SER 13 -1.174 1.605 -13.454
93 HB3 SER 13 HB3 SER 13 -0.004 1.533 -12.124
94 HG SER 13 HG SER 13 -0.206 3.550 -14.116
95 H GLY 14 H GLY 14 1.973 -0.111 -12.150
96 HA2 GLY 14 HA2 GLY 14 4.445 -0.283 -11.961
97 HA3 GLY 14 HA3 GLY 14 4.529 1.442 -12.334
98 H LEU 15 H LEU 15 5.756 1.499 -10.277
99 HA LEU 15 HA LEU 15 4.651 0.784 -7.776
100 HB2 LEU 15 HB2 LEU 15 7.026 1.196 -8.140
101 HB3 LEU 15 HB3 LEU 15 6.702 2.878 -8.592
102 HG LEU 15 HG LEU 15 5.907 3.368 -6.319
103 HD11 LEU 15 HD11 LEU 15 6.263 1.691 -4.514
104 HD12 LEU 15 HD12 LEU 15 5.060 1.121 -5.688
105 HD13 LEU 15 HD13 LEU 15 6.723 0.483 -5.732
106 HD21 LEU 15 HD21 LEU 15 8.291 3.663 -6.886
107 HD22 LEU 15 HD22 LEU 15 8.098 3.179 -5.189
108 HD23 LEU 15 HD23 LEU 15 8.623 1.985 -6.402
109 H THR 16 H THR 16 4.080 3.640 -9.792
110 HA THR 16 HA THR 16 3.228 5.399 -7.726
111 HB THR 16 HB THR 16 2.238 5.309 -10.599
112 HG1 THR 16 HG1 THR 16 4.015 6.675 -10.966
113 HG21 THR 16 HG21 THR 16 2.528 7.578 -8.576
114 HG22 THR 16 HG22 THR 16 2.054 7.766 -10.281
115 HG23 THR 16 HG23 THR 16 1.002 6.878 -9.158
116 H ALA 17 H ALA 17 1.396 2.923 -9.639
117 HA ALA 17 HA ALA 17 -1.106 3.714 -8.379
118 HB1 ALA 17 HB1 ALA 17 -0.340 1.255 -9.997
119 HB2 ALA 17 HB2 ALA 17 -1.996 1.729 -9.542
120 HB3 ALA 17 HB3 ALA 17 -1.051 2.763 -10.633
121 H CYS 18 H CYS 18 1.501 1.404 -7.716
122 HA CYS 18 HA CYS 18 0.029 -0.152 -5.787
123 HB2 CYS 18 HB2 CYS 18 2.013 -0.987 -6.922
124 HB3 CYS 18 HB3 CYS 18 2.986 0.332 -6.267
125 H ARG 19 H ARG 19 1.901 2.870 -5.694
126 HA ARG 19 HA ARG 19 1.944 2.992 -2.785
127 HB2 ARG 19 HB2 ARG 19 3.616 3.995 -4.467
128 HB3 ARG 19 HB3 ARG 19 2.408 5.263 -4.749
129 HG2 ARG 19 HG2 ARG 19 2.447 5.811 -2.314
130 HG3 ARG 19 HG3 ARG 19 3.648 4.522 -2.058
131 HD2 ARG 19 HD2 ARG 19 5.177 5.699 -3.651
132 HD3 ARG 19 HD3 ARG 19 3.979 6.999 -3.791
133 HE ARG 19 HE ARG 19 5.054 6.273 -1.110
134 HH11 ARG 19 HH11 ARG 19 4.860 8.625 -3.753
135 HH12 ARG 19 HH12 ARG 19 5.519 9.924 -2.787
136 HH21 ARG 19 HH21 ARG 19 5.896 7.980 0.113
137 HH22 ARG 19 HH22 ARG 19 6.093 9.561 -0.601
138 H ASN 20 H ASN 20 -0.117 4.204 -5.396
139 HA ASN 20 HA ASN 20 -1.668 5.936 -3.636
140 HB2 ASN 20 HB2 ASN 20 -2.172 4.855 -6.442
141 HB3 ASN 20 HB3 ASN 20 -3.198 6.045 -5.623
142 HD21 ASN 20 HD21 ASN 20 -2.128 6.709 -8.035
143 HD22 ASN 20 HD22 ASN 20 -0.848 7.891 -7.834
144 H HIS 21 H HIS 21 -1.668 2.526 -4.397
145 HA HIS 21 HA HIS 21 -4.431 2.121 -3.480
146 HB2 HIS 21 HB2 HIS 21 -3.478 0.783 -5.287
147 HB3 HIS 21 HB3 HIS 21 -2.178 0.230 -4.225
148 HD1 HIS 21 HD1 HIS 21 -6.030 -0.141 -4.491
149 HD2 HIS 21 HD2 HIS 21 -2.613 -1.901 -2.796
150 HE1 HIS 21 HE1 HIS 21 -6.782 -2.360 -3.478
151 H CYS 22 H CYS 22 -1.119 1.893 -2.214
152 HA CYS 22 HA CYS 22 -1.951 0.555 0.236
153 HB2 CYS 22 HB2 CYS 22 0.600 1.897 -0.653
154 HB3 CYS 22 HB3 CYS 22 0.409 1.115 0.921
155 H ARG 23 H ARG 23 -1.491 3.946 -0.810
156 HA ARG 23 HA ARG 23 -1.634 4.926 1.950
157 HB2 ARG 23 HB2 ARG 23 -1.614 6.316 -0.755
158 HB3 ARG 23 HB3 ARG 23 -1.722 7.169 0.799
159 HG2 ARG 23 HG2 ARG 23 0.377 6.067 1.546
160 HG3 ARG 23 HG3 ARG 23 0.554 5.312 -0.044
161 HD2 ARG 23 HD2 ARG 23 0.459 8.306 0.502
162 HD3 ARG 23 HD3 ARG 23 1.918 7.357 0.179
163 HE ARG 23 HE ARG 23 0.184 6.890 -1.984
164 HH11 ARG 23 HH11 ARG 23 1.867 9.635 -0.519
165 HH12 ARG 23 HH12 ARG 23 2.029 10.493 -2.033
166 HH21 ARG 23 HH21 ARG 23 0.392 8.059 -3.951
167 HH22 ARG 23 HH22 ARG 23 1.197 9.605 -3.962
168 H SER 24 H SER 24 -3.878 3.983 -0.484
169 HA SER 24 HA SER 24 -6.119 5.295 0.981
170 HB2 SER 24 HB2 SER 24 -6.010 3.881 -1.709
171 HB3 SER 24 HB3 SER 24 -7.475 4.565 -0.958
172 HG SER 24 HG SER 24 -6.424 5.996 -2.444
173 H CYS 25 H CYS 25 -8.124 3.724 1.193
174 HA CYS 25 HA CYS 25 -7.054 1.481 2.692
175 HB2 CYS 25 HB2 CYS 25 -8.969 2.916 3.421
176 HB3 CYS 25 HB3 CYS 25 -9.969 2.121 2.199
177 H HIS 26 H HIS 26 -7.241 -0.669 2.336
178 HA HIS 26 HA HIS 26 -8.428 -1.674 -0.176
179 HB2 HIS 26 HB2 HIS 26 -6.224 -2.839 -0.646
180 HB3 HIS 26 HB3 HIS 26 -6.206 -1.088 -0.876
181 HD1 HIS 26 HD1 HIS 26 -4.397 0.219 0.424
182 HD2 HIS 26 HD2 HIS 26 -5.132 -3.671 1.872
183 HE1 HIS 26 HE1 HIS 26 -2.666 -0.214 2.277
184 HE2 HIS 26 HE2 HIS 26 -3.124 -2.579 3.145
185 H ARG 27 H ARG 27 -8.087 -4.166 -0.198
186 HA ARG 27 HA ARG 27 -9.233 -5.090 2.270
187 HB2 ARG 27 HB2 ARG 27 -9.758 -5.844 -0.126
188 HB3 ARG 27 HB3 ARG 27 -8.250 -6.760 -0.073
189 HG2 ARG 27 HG2 ARG 27 -10.174 -8.193 0.477
190 HG3 ARG 27 HG3 ARG 27 -9.095 -8.047 1.875
191 HD2 ARG 27 HD2 ARG 27 -11.503 -7.855 2.478
192 HD3 ARG 27 HD3 ARG 27 -10.577 -6.413 2.915
193 HE ARG 27 HE ARG 27 -11.446 -5.556 0.592
194 HH11 ARG 27 HH11 ARG 27 -13.299 -7.529 2.884
195 HH12 ARG 27 HH12 ARG 27 -14.834 -6.873 2.362
196 HH21 ARG 27 HH21 ARG 27 -13.436 -4.734 -0.045
197 HH22 ARG 27 HH22 ARG 27 -14.917 -5.305 0.685
198 H GLY 28 H GLY 28 -8.399 -6.337 3.874
199 HA2 GLY 28 HA2 GLY 28 -5.482 -6.981 3.786
200 HA3 GLY 28 HA3 GLY 28 -6.368 -6.499 5.241
201 H ASP 29 H ASP 29 -5.324 -8.603 5.979
202 HA ASP 29 HA ASP 29 -6.507 -11.068 4.894
203 HB2 ASP 29 HB2 ASP 29 -4.087 -10.818 5.441
204 HB3 ASP 29 HB3 ASP 29 -4.508 -10.613 7.143
205 H VAL 30 H VAL 30 -7.209 -8.834 7.413
206 HA VAL 30 HA VAL 30 -9.119 -10.787 8.599
207 HB VAL 30 HB VAL 30 -7.050 -10.625 9.964
208 HG11 VAL 30 HG11 VAL 30 -6.432 -8.290 9.484
209 HG12 VAL 30 HG12 VAL 30 -7.876 -7.714 10.339
210 HG13 VAL 30 HG13 VAL 30 -6.593 -8.563 11.229
211 HG21 VAL 30 HG21 VAL 30 -8.138 -10.306 12.103
212 HG22 VAL 30 HG22 VAL 30 -9.458 -9.388 11.348
213 HG23 VAL 30 HG23 VAL 30 -9.260 -11.129 11.001
214 H GLY 31 H GLY 31 -8.611 -7.772 7.150
215 HA2 GLY 31 HA2 GLY 31 -11.278 -6.951 7.163
216 HA3 GLY 31 HA3 GLY 31 -10.507 -6.137 8.546
217 H CYS 32 H CYS 32 -11.323 -4.364 6.768
218 HA CYS 32 HA CYS 32 -9.301 -3.954 4.699
219 HB2 CYS 32 HB2 CYS 32 -11.687 -2.300 5.564
220 HB3 CYS 32 HB3 CYS 32 -10.577 -1.862 4.257
221 H VAL 33 H VAL 33 -7.722 -2.439 4.620
222 HA VAL 33 HA VAL 33 -7.177 -0.776 7.012
223 HB VAL 33 HB VAL 33 -4.843 -1.639 7.085
224 HG11 VAL 33 HG11 VAL 33 -6.953 -3.783 7.547
225 HG12 VAL 33 HG12 VAL 33 -5.319 -3.743 8.247
226 HG13 VAL 33 HG13 VAL 33 -6.496 -2.486 8.683
227 HG21 VAL 33 HG21 VAL 33 -4.293 -3.783 6.025
228 HG22 VAL 33 HG22 VAL 33 -5.886 -3.825 5.239
229 HG23 VAL 33 HG23 VAL 33 -4.705 -2.561 4.807
230 H ARG 34 H ARG 34 -5.396 0.732 6.667
231 HA ARG 34 HA ARG 34 -4.584 1.121 3.839
232 HB2 ARG 34 HB2 ARG 34 -4.939 3.479 3.951
233 HB3 ARG 34 HB3 ARG 34 -6.462 2.678 4.375
234 HG2 ARG 34 HG2 ARG 34 -5.927 3.034 6.801
235 HG3 ARG 34 HG3 ARG 34 -4.476 3.933 6.316
236 HD2 ARG 34 HD2 ARG 34 -7.350 4.645 5.611
237 HD3 ARG 34 HD3 ARG 34 -6.320 5.475 6.789
238 HE ARG 34 HE ARG 34 -5.015 5.424 4.245
239 HH11 ARG 34 HH11 ARG 34 -7.695 7.011 5.923
240 HH12 ARG 34 HH12 ARG 34 -7.640 8.430 4.899
241 HH21 ARG 34 HH21 ARG 34 -4.990 7.256 2.918
242 HH22 ARG 34 HH22 ARG 34 -6.095 8.575 3.213
243 H CYS 35 H CYS 35 -2.464 2.054 3.629
244 HA CYS 35 HA CYS 35 -0.860 1.706 6.122
245 HB2 CYS 35 HB2 CYS 35 -0.114 1.065 3.266
246 HB3 CYS 35 HB3 CYS 35 0.875 0.771 4.695
247 H SER 36 H SER 36 1.574 2.504 5.299
248 HA SER 36 HA SER 36 1.128 5.431 5.100
249 HB2 SER 36 HB2 SER 36 2.263 4.410 7.087
250 HB3 SER 36 HB3 SER 36 3.565 3.856 6.019
251 HG SER 36 HG SER 36 4.016 5.882 7.001
252 H ASN 37 H ASN 37 2.964 2.780 3.552
253 HA ASN 37 HA ASN 37 3.521 4.502 1.240
254 HB2 ASN 37 HB2 ASN 37 5.344 4.879 3.025
255 HB3 ASN 37 HB3 ASN 37 5.842 3.210 2.727
256 HD21 ASN 37 HD21 ASN 37 7.907 4.441 2.173
257 HD22 ASN 37 HD22 ASN 37 8.082 4.984 0.517
258 H ALA 38 H ALA 38 5.225 2.931 -0.215
259 HA ALA 38 HA ALA 38 4.352 0.138 -0.032
260 HB1 ALA 38 HB1 ALA 38 3.286 0.138 -2.225
261 HB2 ALA 38 HB2 ALA 38 2.510 1.383 -1.221
262 HB3 ALA 38 HB3 ALA 38 3.697 1.851 -2.460
263 H GLN 39 H GLN 39 5.269 -1.188 -1.802
264 HA GLN 39 HA GLN 39 7.385 -0.070 -3.465
265 HB2 GLN 39 HB2 GLN 39 9.118 -1.597 -2.666
266 HB3 GLN 39 HB3 GLN 39 8.613 -0.503 -1.365
267 HG2 GLN 39 HG2 GLN 39 7.258 -2.251 -0.352
268 HG3 GLN 39 HG3 GLN 39 7.567 -3.344 -1.722
269 HE21 GLN 39 HE21 GLN 39 9.402 -1.403 0.723
270 HE22 GLN 39 HE22 GLN 39 10.639 -2.619 0.967
271 H CYS 40 H CYS 40 8.229 -1.799 -4.972
272 HA CYS 40 HA CYS 40 6.073 -3.773 -5.525
273 HB2 CYS 40 HB2 CYS 40 8.320 -2.682 -7.242
274 HB3 CYS 40 HB3 CYS 40 7.187 -3.943 -7.753
275 H THR 41 H THR 41 6.505 -5.953 -5.775
276 HA THR 41 HA THR 41 9.157 -6.941 -4.846
277 HB THR 41 HB THR 41 7.989 -8.503 -3.329
278 HG1 THR 41 HG1 THR 41 5.791 -8.097 -2.907
279 HG21 THR 41 HG21 THR 41 7.432 -6.911 -1.583
280 HG22 THR 41 HG22 THR 41 8.837 -6.307 -2.488
281 HG23 THR 41 HG23 THR 41 7.221 -5.609 -2.770
282 H GLY 42 H GLY 42 8.922 -9.532 -4.855
283 HA2 GLY 42 HA2 GLY 42 8.109 -11.447 -6.059
284 HA3 GLY 42 HA3 GLY 42 7.583 -10.391 -7.372
285 H PHE 43 H PHE 43 8.904 -12.330 -8.388
286 HA PHE 43 HA PHE 43 11.751 -12.338 -8.236
287 HB2 PHE 43 HB2 PHE 43 10.545 -14.259 -9.018
288 HB3 PHE 43 HB3 PHE 43 9.725 -13.318 -10.262
289 HD1 PHE 43 HD2 PHE 43 13.141 -14.493 -9.236
290 HD2 PHE 43 HD1 PHE 43 10.578 -13.191 -12.437
291 HE1 PHE 43 HE2 PHE 43 14.913 -15.035 -10.877
292 HE2 PHE 43 HE1 PHE 43 12.356 -13.730 -14.077
293 HZ PHE 43 HZ PHE 43 14.530 -14.644 -13.296
294 H LEU 44 H LEU 44 9.529 -10.228 -9.964
295 HA LEU 44 HA LEU 44 11.846 -8.889 -11.186
296 HB2 LEU 44 HB2 LEU 44 10.842 -10.685 -12.734
297 HB3 LEU 44 HB3 LEU 44 9.428 -9.645 -12.857
298 HG LEU 44 HG LEU 44 10.886 -7.825 -13.799
299 HD11 LEU 44 HD11 LEU 44 13.034 -9.983 -13.634
300 HD12 LEU 44 HD12 LEU 44 13.188 -8.455 -14.522
301 HD13 LEU 44 HD13 LEU 44 13.038 -8.428 -12.755
302 HD21 LEU 44 HD21 LEU 44 9.735 -9.436 -15.273
303 HD22 LEU 44 HD22 LEU 44 11.297 -8.924 -15.952
304 HD23 LEU 44 HD23 LEU 44 11.143 -10.520 -15.181
305 H GLY 45 H GLY 45 9.726 -8.384 -9.032
306 HA2 GLY 45 HA2 GLY 45 8.806 -6.430 -8.223
307 HA3 GLY 45 HA3 GLY 45 9.314 -5.594 -9.702
308 H THR 46 H THR 46 7.433 -8.506 -10.119
309 HA THR 46 HA THR 46 5.354 -6.953 -11.423
310 HB THR 46 HB THR 46 4.481 -9.236 -12.025
311 HG1 THR 46 HG1 THR 46 5.838 -10.968 -11.482
312 HG21 THR 46 HG21 THR 46 6.379 -9.790 -13.500
313 HG22 THR 46 HG22 THR 46 6.065 -8.048 -13.477
314 HG23 THR 46 HG23 THR 46 7.436 -8.714 -12.555
315 H THR 47 H THR 47 5.707 -7.433 -8.230
316 HA THR 47 HA THR 47 2.769 -7.751 -7.802
317 HB THR 47 HB THR 47 5.014 -8.837 -6.052
318 HG1 THR 47 HG1 THR 47 4.692 -9.979 -7.993
319 HG21 THR 47 HG21 THR 47 3.130 -10.020 -4.908
320 HG22 THR 47 HG22 THR 47 3.048 -8.261 -4.711
321 HG23 THR 47 HG23 THR 47 1.978 -9.078 -5.881
322 H CYS 48 H CYS 48 1.901 -6.576 -6.018
323 HA CYS 48 HA CYS 48 3.523 -4.190 -5.277
324 HB2 CYS 48 HB2 CYS 48 1.518 -3.666 -6.502
325 HB3 CYS 48 HB3 CYS 48 0.549 -4.711 -5.463
326 H THR 49 H THR 49 3.819 -3.618 -3.149
327 HA THR 49 HA THR 49 2.458 -5.178 -1.033
328 HB THR 49 HB THR 49 5.474 -4.888 -1.316
329 HG1 THR 49 HG1 THR 49 4.566 -6.573 -2.508
330 HG21 THR 49 HG21 THR 49 4.889 -4.654 1.041
331 HG22 THR 49 HG22 THR 49 3.787 -6.047 0.945
332 HG23 THR 49 HG23 THR 49 5.544 -6.275 0.770
333 H CYS 50 H CYS 50 2.248 -4.059 0.925
334 HA CYS 50 HA CYS 50 2.763 -1.146 0.697
335 HB2 CYS 50 HB2 CYS 50 0.869 -2.644 2.525
336 HB3 CYS 50 HB3 CYS 50 1.014 -0.895 2.351
337 H ILE 51 H ILE 51 3.242 0.016 2.739
338 HA ILE 51 HA ILE 51 5.257 -1.506 4.333
339 HB ILE 51 HB ILE 51 5.103 1.445 3.634
340 HG12 ILE 51 HG12 ILE 51 5.680 0.101 1.659
341 HG13 ILE 51 HG13 ILE 51 7.052 1.064 2.220
342 HG21 ILE 51 HG21 ILE 51 7.199 -0.156 5.147
343 HG22 ILE 51 HG22 ILE 51 7.417 1.506 4.566
344 HG23 ILE 51 HG23 ILE 51 6.178 1.155 5.781
345 HD11 ILE 51 HD11 ILE 51 7.743 -1.190 1.574
346 HD12 ILE 51 HD12 ILE 51 8.026 -0.930 3.306
347 HD13 ILE 51 HD13 ILE 51 6.635 -1.909 2.760
348 H ASN 52 H ASN 52 5.198 -1.421 6.532
349 HA ASN 52 HA ASN 52 2.701 -0.835 7.772
350 HB2 ASN 52 HB2 ASN 52 5.452 -1.411 8.948
351 HB3 ASN 52 HB3 ASN 52 3.929 -1.477 9.844
352 HD21 ASN 52 HD21 ASN 52 2.273 -3.067 9.104
353 HD22 ASN 52 HD22 ASN 52 2.827 -4.548 8.344
354 HA PRO 53 HA PRO 53 2.171 -0.394 10.103
355 HB2 PRO 53 HB2 PRO 53 0.428 1.341 11.230
356 HB3 PRO 53 HB3 PRO 53 2.096 1.155 11.859
357 HG2 PRO 53 HG2 PRO 53 1.080 3.246 9.897
358 HG3 PRO 53 HG3 PRO 53 1.983 3.522 11.422
359 HD2 PRO 53 HD2 PRO 53 3.250 3.402 9.001
360 HD3 PRO 53 HD3 PRO 53 3.993 2.700 10.476
361 H CYS 54 H CYS 54 -0.183 -0.832 9.925
362 HA CYS 54 HA CYS 54 -1.502 0.353 7.551
363 HB2 CYS 54 HB2 CYS 54 -0.985 -2.581 8.057
364 HB3 CYS 54 HB3 CYS 54 -2.165 -1.994 6.889
365 HA PRO 55 HA PRO 55 -4.221 -0.277 11.341
366 HB2 PRO 55 HB2 PRO 55 -5.168 2.275 11.545
367 HB3 PRO 55 HB3 PRO 55 -3.574 1.783 12.204
368 HG2 PRO 55 HG2 PRO 55 -4.141 3.053 9.500
369 HG3 PRO 55 HG3 PRO 55 -2.980 3.610 10.754
370 HD2 PRO 55 HD2 PRO 55 -2.133 2.064 8.718
371 HD3 PRO 55 HD3 PRO 55 -1.550 1.748 10.376
372 H ARG 56 H ARG 56 -6.624 0.174 11.504
373 HA ARG 56 HA ARG 56 -8.015 -0.611 9.119
374 HB2 ARG 56 HB2 ARG 56 -9.000 0.534 11.761
375 HB3 ARG 56 HB3 ARG 56 -10.042 -0.193 10.532
376 HG2 ARG 56 HG2 ARG 56 -7.797 -1.648 11.989
377 HG3 ARG 56 HG3 ARG 56 -9.522 -1.750 12.389
378 HD2 ARG 56 HD2 ARG 56 -9.994 -2.643 10.120
379 HD3 ARG 56 HD3 ARG 56 -8.261 -2.579 9.748
380 HE ARG 56 HE ARG 56 -7.854 -4.381 11.199
381 HH11 ARG 56 HH11 ARG 56 -11.276 -3.485 11.197
382 HH12 ARG 56 HH12 ARG 56 -11.785 -4.969 11.972
383 HH21 ARG 56 HH21 ARG 56 -8.547 -6.296 12.223
384 HH22 ARG 56 HH22 ARG 56 -10.244 -6.555 12.552
385 H CYS 57 H CYS 57 -10.000 0.621 8.355
386 HA CYS 57 HA CYS 57 -9.461 3.543 8.200
387 HB2 CYS 57 HB2 CYS 57 -9.723 3.555 5.860
388 HB3 CYS 57 HB3 CYS 57 -8.597 2.254 6.218
Start of MODEL 5
1 HA PCA 1 HA PCA 1 -16.501 -2.765 -0.954
2 HB2 PCA 1 HB2 PCA 1 -18.558 -0.578 -0.496
3 HB3 PCA 1 HB3 PCA 1 -18.406 -1.683 -1.907
4 HG2 PCA 1 HG2 PCA 1 -19.294 -3.517 -0.673
5 HG3 PCA 1 HG3 PCA 1 -20.167 -2.174 0.149
6 H ASN 2 H ASN 2 -15.835 -0.790 1.698
7 HA ASN 2 HA ASN 2 -14.817 1.511 0.230
8 HB2 ASN 2 HB2 ASN 2 -14.197 2.346 2.411
9 HB3 ASN 2 HB3 ASN 2 -15.855 1.725 2.461
10 HD21 ASN 2 HD21 ASN 2 -12.485 1.112 3.408
11 HD22 ASN 2 HD22 ASN 2 -12.844 -0.047 4.669
12 H CYS 3 H CYS 3 -13.733 -1.445 0.048
13 HA CYS 3 HA CYS 3 -10.894 -0.694 -0.066
14 HB2 CYS 3 HB2 CYS 3 -10.341 -2.742 1.337
15 HB3 CYS 3 HB3 CYS 3 -10.880 -1.303 2.196
16 HA PRO 4 HA PRO 4 -11.889 -3.776 -3.301
17 HB2 PRO 4 HB2 PRO 4 -10.492 -2.584 -5.317
18 HB3 PRO 4 HB3 PRO 4 -12.109 -1.989 -4.810
19 HG2 PRO 4 HG2 PRO 4 -9.388 -0.937 -3.970
20 HG3 PRO 4 HG3 PRO 4 -10.801 -0.006 -4.571
21 HD2 PRO 4 HD2 PRO 4 -10.250 -0.296 -1.916
22 HD3 PRO 4 HD3 PRO 4 -11.929 -0.213 -2.526
23 H THR 5 H THR 5 -10.203 -4.998 -4.702
24 HA THR 5 HA THR 5 -7.682 -5.289 -3.121
25 HB THR 5 HB THR 5 -9.204 -7.481 -4.579
26 HG1 THR 5 HG1 THR 5 -9.853 -8.095 -2.523
27 HG21 THR 5 HG21 THR 5 -7.725 -8.947 -3.217
28 HG22 THR 5 HG22 THR 5 -6.782 -7.891 -4.293
29 HG23 THR 5 HG23 THR 5 -6.913 -7.510 -2.561
30 H ARG 6 H ARG 6 -5.888 -4.851 -4.267
31 HA ARG 6 HA ARG 6 -5.723 -5.658 -7.116
32 HB2 ARG 6 HB2 ARG 6 -5.042 -2.895 -6.017
33 HB3 ARG 6 HB3 ARG 6 -4.604 -3.473 -7.626
34 HG2 ARG 6 HG2 ARG 6 -7.474 -3.182 -6.620
35 HG3 ARG 6 HG3 ARG 6 -6.603 -1.992 -7.598
36 HD2 ARG 6 HD2 ARG 6 -6.259 -3.727 -9.358
37 HD3 ARG 6 HD3 ARG 6 -7.269 -4.845 -8.434
38 HE ARG 6 HE ARG 6 -8.126 -2.455 -9.935
39 HH11 ARG 6 HH11 ARG 6 -9.077 -4.997 -7.653
40 HH12 ARG 6 HH12 ARG 6 -10.783 -4.779 -7.962
41 HH21 ARG 6 HH21 ARG 6 -10.351 -2.186 -10.285
42 HH22 ARG 6 HH22 ARG 6 -11.499 -3.190 -9.431
43 H ARG 7 H ARG 7 -3.722 -6.465 -7.611
44 HA ARG 7 HA ARG 7 -1.465 -6.006 -5.714
45 HB2 ARG 7 HB2 ARG 7 -2.489 -8.693 -6.699
46 HB3 ARG 7 HB3 ARG 7 -0.941 -8.446 -5.884
47 HG2 ARG 7 HG2 ARG 7 -3.668 -7.820 -4.675
48 HG3 ARG 7 HG3 ARG 7 -2.686 -9.246 -4.330
49 HD2 ARG 7 HD2 ARG 7 -0.838 -7.748 -3.551
50 HD3 ARG 7 HD3 ARG 7 -1.899 -6.351 -3.750
51 HE ARG 7 HE ARG 7 -2.133 -8.511 -1.741
52 HH11 ARG 7 HH11 ARG 7 -3.414 -5.468 -3.037
53 HH12 ARG 7 HH12 ARG 7 -4.372 -5.143 -1.609
54 HH21 ARG 7 HH21 ARG 7 -3.398 -8.058 0.080
55 HH22 ARG 7 HH22 ARG 7 -4.390 -6.619 0.132
56 H GLY 8 H GLY 8 -2.668 -6.327 -8.932
57 HA2 GLY 8 HA2 GLY 8 -0.074 -6.978 -10.140
58 HA3 GLY 8 HA3 GLY 8 -1.621 -6.718 -10.971
59 H LEU 9 H LEU 9 -0.836 -4.261 -8.662
60 HA LEU 9 HA LEU 9 -0.944 -2.242 -10.659
61 HB2 LEU 9 HB2 LEU 9 0.014 -2.177 -7.773
62 HB3 LEU 9 HB3 LEU 9 -0.375 -0.744 -8.736
63 HG LEU 9 HG LEU 9 -2.351 -2.978 -8.094
64 HD11 LEU 9 HD11 LEU 9 -2.019 -0.210 -6.887
65 HD12 LEU 9 HD12 LEU 9 -3.332 -1.352 -6.522
66 HD13 LEU 9 HD13 LEU 9 -1.667 -1.758 -6.070
67 HD21 LEU 9 HD21 LEU 9 -2.910 -1.729 -10.162
68 HD22 LEU 9 HD22 LEU 9 -4.034 -1.325 -8.844
69 HD23 LEU 9 HD23 LEU 9 -2.741 -0.194 -9.278
70 H CYS 10 H CYS 10 1.750 -4.165 -9.587
71 HA CYS 10 HA CYS 10 3.683 -2.122 -10.507
72 HB2 CYS 10 HB2 CYS 10 4.015 -4.791 -9.120
73 HB3 CYS 10 HB3 CYS 10 5.357 -3.775 -9.654
74 H VAL 11 H VAL 11 1.791 -4.328 -12.071
75 HA VAL 11 HA VAL 11 3.895 -5.590 -13.673
76 HB VAL 11 HB VAL 11 0.857 -5.672 -13.893
77 HG11 VAL 11 HG11 VAL 11 3.027 -7.358 -15.214
78 HG12 VAL 11 HG12 VAL 11 1.287 -7.713 -15.260
79 HG13 VAL 11 HG13 VAL 11 1.902 -6.245 -16.039
80 HG21 VAL 11 HG21 VAL 11 1.730 -6.649 -11.782
81 HG22 VAL 11 HG22 VAL 11 1.116 -7.912 -12.871
82 HG23 VAL 11 HG23 VAL 11 2.864 -7.644 -12.727
83 H THR 12 H THR 12 1.683 -2.827 -13.939
84 HA THR 12 HA THR 12 3.108 -1.981 -16.365
85 HB THR 12 HB THR 12 1.367 -3.527 -17.208
86 HG1 THR 12 HG1 THR 12 0.532 -2.051 -18.693
87 HG21 THR 12 HG21 THR 12 -0.344 -3.175 -15.440
88 HG22 THR 12 HG22 THR 12 -0.626 -1.530 -16.057
89 HG23 THR 12 HG23 THR 12 -1.008 -2.938 -17.070
90 H SER 13 H SER 13 0.803 -1.342 -13.750
91 HA SER 13 HA SER 13 0.368 1.423 -14.550
92 HB2 SER 13 HB2 SER 13 -0.248 -0.142 -12.019
93 HB3 SER 13 HB3 SER 13 -0.742 1.531 -12.317
94 HG SER 13 HG SER 13 -2.369 0.026 -12.917
95 H GLY 14 H GLY 14 2.713 -0.315 -12.699
96 HA2 GLY 14 HA2 GLY 14 4.846 0.474 -12.144
97 HA3 GLY 14 HA3 GLY 14 4.309 2.137 -12.377
98 H LEU 15 H LEU 15 5.881 1.722 -10.280
99 HA LEU 15 HA LEU 15 4.718 0.829 -7.864
100 HB2 LEU 15 HB2 LEU 15 7.114 1.132 -8.166
101 HB3 LEU 15 HB3 LEU 15 6.900 2.863 -8.480
102 HG LEU 15 HG LEU 15 6.113 3.227 -6.186
103 HD11 LEU 15 HD11 LEU 15 6.747 0.270 -5.793
104 HD12 LEU 15 HD12 LEU 15 6.336 1.430 -4.501
105 HD13 LEU 15 HD13 LEU 15 5.125 1.006 -5.725
106 HD21 LEU 15 HD21 LEU 15 8.518 3.409 -6.703
107 HD22 LEU 15 HD22 LEU 15 8.262 2.814 -5.053
108 HD23 LEU 15 HD23 LEU 15 8.728 1.680 -6.342
109 H THR 16 H THR 16 4.376 3.900 -9.603
110 HA THR 16 HA THR 16 3.499 5.507 -7.421
111 HB THR 16 HB THR 16 2.661 5.673 -10.338
112 HG1 THR 16 HG1 THR 16 4.497 6.995 -10.514
113 HG21 THR 16 HG21 THR 16 2.520 8.107 -9.833
114 HG22 THR 16 HG22 THR 16 1.385 7.161 -8.844
115 HG23 THR 16 HG23 THR 16 2.898 7.757 -8.125
116 H ALA 17 H ALA 17 1.793 3.123 -9.473
117 HA ALA 17 HA ALA 17 -0.813 3.912 -8.442
118 HB1 ALA 17 HB1 ALA 17 -1.585 1.934 -9.719
119 HB2 ALA 17 HB2 ALA 17 -0.553 2.999 -10.698
120 HB3 ALA 17 HB3 ALA 17 0.104 1.479 -10.030
121 H CYS 18 H CYS 18 1.668 1.469 -7.709
122 HA CYS 18 HA CYS 18 0.072 -0.026 -5.830
123 HB2 CYS 18 HB2 CYS 18 2.067 -0.936 -6.901
124 HB3 CYS 18 HB3 CYS 18 3.068 0.342 -6.207
125 H ARG 19 H ARG 19 1.992 2.957 -5.671
126 HA ARG 19 HA ARG 19 1.957 3.078 -2.765
127 HB2 ARG 19 HB2 ARG 19 3.669 4.057 -4.434
128 HB3 ARG 19 HB3 ARG 19 2.485 5.345 -4.715
129 HG2 ARG 19 HG2 ARG 19 2.502 5.840 -2.253
130 HG3 ARG 19 HG3 ARG 19 3.714 4.562 -2.032
131 HD2 ARG 19 HD2 ARG 19 5.227 5.779 -3.612
132 HD3 ARG 19 HD3 ARG 19 4.012 7.065 -3.732
133 HE ARG 19 HE ARG 19 5.106 6.308 -1.065
134 HH11 ARG 19 HH11 ARG 19 4.869 8.691 -3.669
135 HH12 ARG 19 HH12 ARG 19 5.494 9.997 -2.684
136 HH21 ARG 19 HH21 ARG 19 5.896 8.028 0.192
137 HH22 ARG 19 HH22 ARG 19 6.076 9.621 -0.502
138 H ASN 20 H ASN 20 -0.048 4.287 -5.422
139 HA ASN 20 HA ASN 20 -1.619 6.034 -3.698
140 HB2 ASN 20 HB2 ASN 20 -2.054 4.959 -6.511
141 HB3 ASN 20 HB3 ASN 20 -3.115 6.128 -5.723
142 HD21 ASN 20 HD21 ASN 20 -1.980 6.868 -8.093
143 HD22 ASN 20 HD22 ASN 20 -0.733 8.068 -7.816
144 H HIS 21 H HIS 21 -1.618 2.619 -4.422
145 HA HIS 21 HA HIS 21 -4.394 2.239 -3.549
146 HB2 HIS 21 HB2 HIS 21 -3.400 0.885 -5.336
147 HB3 HIS 21 HB3 HIS 21 -2.135 0.330 -4.235
148 HD1 HIS 21 HD1 HIS 21 -6.000 0.048 -4.560
149 HD2 HIS 21 HD2 HIS 21 -2.644 -1.834 -2.861
150 HE1 HIS 21 HE1 HIS 21 -6.822 -2.159 -3.571
151 H CYS 22 H CYS 22 -1.098 1.970 -2.243
152 HA CYS 22 HA CYS 22 -1.995 0.704 0.226
153 HB2 CYS 22 HB2 CYS 22 0.600 1.962 -0.669
154 HB3 CYS 22 HB3 CYS 22 0.378 1.237 0.924
155 H ARG 23 H ARG 23 -1.642 4.023 -0.924
156 HA ARG 23 HA ARG 23 -1.789 5.082 1.825
157 HB2 ARG 23 HB2 ARG 23 -1.586 6.419 -0.892
158 HB3 ARG 23 HB3 ARG 23 -1.773 7.302 0.636
159 HG2 ARG 23 HG2 ARG 23 0.250 6.177 1.535
160 HG3 ARG 23 HG3 ARG 23 0.503 5.383 -0.025
161 HD2 ARG 23 HD2 ARG 23 0.429 8.389 0.465
162 HD3 ARG 23 HD3 ARG 23 1.893 7.420 0.228
163 HE ARG 23 HE ARG 23 0.252 6.950 -2.003
164 HH11 ARG 23 HH11 ARG 23 1.935 9.669 -0.504
165 HH12 ARG 23 HH12 ARG 23 2.152 10.526 -2.013
166 HH21 ARG 23 HH21 ARG 23 0.539 8.111 -3.977
167 HH22 ARG 23 HH22 ARG 23 1.380 9.637 -3.964
168 H SER 24 H SER 24 -3.985 3.571 0.070
169 HA SER 24 HA SER 24 -6.191 5.184 1.223
170 HB2 SER 24 HB2 SER 24 -7.574 4.655 -0.733
171 HB3 SER 24 HB3 SER 24 -6.135 5.573 -1.226
172 HG SER 24 HG SER 24 -6.506 3.772 -2.575
173 H CYS 25 H CYS 25 -8.246 3.666 1.328
174 HA CYS 25 HA CYS 25 -7.340 1.392 2.859
175 HB2 CYS 25 HB2 CYS 25 -10.162 2.149 2.055
176 HB3 CYS 25 HB3 CYS 25 -9.677 1.008 3.313
177 H HIS 26 H HIS 26 -7.232 -0.725 2.333
178 HA HIS 26 HA HIS 26 -8.420 -1.712 -0.187
179 HB2 HIS 26 HB2 HIS 26 -6.167 -2.687 -0.784
180 HB3 HIS 26 HB3 HIS 26 -6.254 -0.916 -0.905
181 HD1 HIS 26 HD1 HIS 26 -4.614 0.445 0.602
182 HD2 HIS 26 HD2 HIS 26 -4.835 -3.671 1.468
183 HE1 HIS 26 HE1 HIS 26 -2.778 -0.034 2.339
184 HE2 HIS 26 HE2 HIS 26 -2.941 -2.545 2.869
185 H ARG 27 H ARG 27 -8.002 -4.138 -0.361
186 HA ARG 27 HA ARG 27 -8.816 -5.321 2.137
187 HB2 ARG 27 HB2 ARG 27 -9.711 -5.979 -0.093
188 HB3 ARG 27 HB3 ARG 27 -8.106 -6.586 -0.535
189 HG2 ARG 27 HG2 ARG 27 -9.577 -8.430 0.154
190 HG3 ARG 27 HG3 ARG 27 -8.223 -8.260 1.284
191 HD2 ARG 27 HD2 ARG 27 -9.695 -6.994 2.841
192 HD3 ARG 27 HD3 ARG 27 -11.050 -7.213 1.710
193 HE ARG 27 HE ARG 27 -9.857 -9.741 2.369
194 HH11 ARG 27 HH11 ARG 27 -11.936 -7.224 3.732
195 HH12 ARG 27 HH12 ARG 27 -12.764 -8.331 4.804
196 HH21 ARG 27 HH21 ARG 27 -10.954 -11.149 3.774
197 HH22 ARG 27 HH22 ARG 27 -12.205 -10.535 4.835
198 H GLY 28 H GLY 28 -7.713 -6.644 3.513
199 HA2 GLY 28 HA2 GLY 28 -4.797 -7.077 3.018
200 HA3 GLY 28 HA3 GLY 28 -5.529 -6.815 4.609
201 H ASP 29 H ASP 29 -4.248 -8.915 4.931
202 HA ASP 29 HA ASP 29 -5.431 -11.322 3.757
203 HB2 ASP 29 HB2 ASP 29 -3.258 -10.887 5.833
204 HB3 ASP 29 HB3 ASP 29 -3.702 -12.456 5.152
205 H VAL 30 H VAL 30 -6.116 -9.370 6.500
206 HA VAL 30 HA VAL 30 -7.728 -11.598 7.668
207 HB VAL 30 HB VAL 30 -6.117 -9.506 9.195
208 HG11 VAL 30 HG11 VAL 30 -6.732 -10.883 11.178
209 HG12 VAL 30 HG12 VAL 30 -8.143 -10.122 10.428
210 HG13 VAL 30 HG13 VAL 30 -7.814 -11.854 10.152
211 HG21 VAL 30 HG21 VAL 30 -5.714 -12.510 8.868
212 HG22 VAL 30 HG22 VAL 30 -4.653 -11.231 8.222
213 HG23 VAL 30 HG23 VAL 30 -4.796 -11.460 9.974
214 H GLY 31 H GLY 31 -7.531 -8.300 6.572
215 HA2 GLY 31 HA2 GLY 31 -10.306 -7.862 6.595
216 HA3 GLY 31 HA3 GLY 31 -9.639 -7.121 8.062
217 H CYS 32 H CYS 32 -10.658 -5.249 6.501
218 HA CYS 32 HA CYS 32 -8.731 -4.405 4.462
219 HB2 CYS 32 HB2 CYS 32 -11.304 -3.173 5.477
220 HB3 CYS 32 HB3 CYS 32 -10.271 -2.462 4.224
221 H VAL 33 H VAL 33 -7.392 -2.681 4.486
222 HA VAL 33 HA VAL 33 -7.020 -1.146 6.983
223 HB VAL 33 HB VAL 33 -4.639 -1.738 7.095
224 HG11 VAL 33 HG11 VAL 33 -4.825 -3.990 7.995
225 HG12 VAL 33 HG12 VAL 33 -6.244 -3.039 8.465
226 HG13 VAL 33 HG13 VAL 33 -6.370 -4.241 7.157
227 HG21 VAL 33 HG21 VAL 33 -3.737 -3.635 5.823
228 HG22 VAL 33 HG22 VAL 33 -5.280 -3.808 4.948
229 HG23 VAL 33 HG23 VAL 33 -4.289 -2.346 4.731
230 H ARG 34 H ARG 34 -5.237 0.464 6.699
231 HA ARG 34 HA ARG 34 -4.653 1.223 3.887
232 HB2 ARG 34 HB2 ARG 34 -5.090 3.585 4.430
233 HB3 ARG 34 HB3 ARG 34 -6.563 2.599 4.589
234 HG2 ARG 34 HG2 ARG 34 -6.223 2.499 7.053
235 HG3 ARG 34 HG3 ARG 34 -4.782 3.530 6.882
236 HD2 ARG 34 HD2 ARG 34 -6.164 5.311 5.902
237 HD3 ARG 34 HD3 ARG 34 -7.608 4.290 6.029
238 HE ARG 34 HE ARG 34 -6.376 4.511 8.598
239 HH11 ARG 34 HH11 ARG 34 -8.224 6.422 6.268
240 HH12 ARG 34 HH12 ARG 34 -8.932 7.451 7.496
241 HH21 ARG 34 HH21 ARG 34 -7.307 5.863 10.174
242 HH22 ARG 34 HH22 ARG 34 -8.410 7.137 9.700
243 H CYS 35 H CYS 35 -2.586 2.297 3.688
244 HA CYS 35 HA CYS 35 -0.887 1.913 6.117
245 HB2 CYS 35 HB2 CYS 35 -0.240 1.184 3.258
246 HB3 CYS 35 HB3 CYS 35 0.813 0.969 4.656
247 H SER 36 H SER 36 1.525 2.678 5.176
248 HA SER 36 HA SER 36 1.075 5.594 4.871
249 HB2 SER 36 HB2 SER 36 2.178 4.657 6.919
250 HB3 SER 36 HB3 SER 36 3.502 4.082 5.894
251 HG SER 36 HG SER 36 3.910 6.161 6.801
252 H ASN 37 H ASN 37 2.965 2.879 3.489
253 HA ASN 37 HA ASN 37 3.534 4.508 1.110
254 HB2 ASN 37 HB2 ASN 37 5.340 4.937 2.884
255 HB3 ASN 37 HB3 ASN 37 5.831 3.253 2.671
256 HD21 ASN 37 HD21 ASN 37 7.902 4.448 2.100
257 HD22 ASN 37 HD22 ASN 37 8.109 4.912 0.425
258 H ALA 38 H ALA 38 5.223 2.865 -0.281
259 HA ALA 38 HA ALA 38 4.281 0.094 -0.035
260 HB1 ALA 38 HB1 ALA 38 3.233 0.072 -2.238
261 HB2 ALA 38 HB2 ALA 38 2.470 1.336 -1.244
262 HB3 ALA 38 HB3 ALA 38 3.656 1.783 -2.488
263 H GLN 39 H GLN 39 5.174 -1.298 -1.747
264 HA GLN 39 HA GLN 39 7.317 -0.279 -3.445
265 HB2 GLN 39 HB2 GLN 39 9.002 -1.835 -2.618
266 HB3 GLN 39 HB3 GLN 39 8.535 -0.694 -1.346
267 HG2 GLN 39 HG2 GLN 39 7.111 -2.368 -0.295
268 HG3 GLN 39 HG3 GLN 39 7.402 -3.510 -1.625
269 HE21 GLN 39 HE21 GLN 39 9.355 -1.516 0.700
270 HE22 GLN 39 HE22 GLN 39 10.529 -2.776 1.010
271 H CYS 40 H CYS 40 8.097 -2.053 -4.912
272 HA CYS 40 HA CYS 40 5.879 -3.946 -5.486
273 HB2 CYS 40 HB2 CYS 40 8.249 -3.026 -7.130
274 HB3 CYS 40 HB3 CYS 40 7.053 -4.214 -7.655
275 H THR 41 H THR 41 6.213 -6.159 -5.671
276 HA THR 41 HA THR 41 8.799 -7.254 -4.697
277 HB THR 41 HB THR 41 7.570 -8.685 -3.110
278 HG1 THR 41 HG1 THR 41 5.396 -8.194 -2.705
279 HG21 THR 41 HG21 THR 41 8.513 -6.523 -2.330
280 HG22 THR 41 HG22 THR 41 6.953 -5.733 -2.667
281 HG23 THR 41 HG23 THR 41 7.058 -6.999 -1.424
282 H GLY 42 H GLY 42 8.430 -9.821 -4.599
283 HA2 GLY 42 HA2 GLY 42 7.917 -11.772 -5.713
284 HA3 GLY 42 HA3 GLY 42 6.749 -10.901 -6.712
285 H PHE 43 H PHE 43 8.146 -12.736 -8.048
286 HA PHE 43 HA PHE 43 10.661 -11.861 -9.089
287 HB2 PHE 43 HB2 PHE 43 9.816 -14.188 -9.183
288 HB3 PHE 43 HB3 PHE 43 8.584 -13.681 -10.343
289 HD1 PHE 43 HD1 PHE 43 9.205 -13.102 -12.658
290 HD2 PHE 43 HD2 PHE 43 12.168 -14.358 -9.804
291 HE1 PHE 43 HE1 PHE 43 10.822 -13.472 -14.499
292 HE2 PHE 43 HE2 PHE 43 13.785 -14.730 -11.647
293 HZ PHE 43 HZ PHE 43 13.111 -14.291 -13.996
294 H LEU 44 H LEU 44 11.175 -10.751 -10.962
295 HA LEU 44 HA LEU 44 11.014 -9.038 -12.392
296 HB2 LEU 44 HB2 LEU 44 9.933 -10.970 -13.603
297 HB3 LEU 44 HB3 LEU 44 8.364 -10.284 -13.197
298 HG LEU 44 HG LEU 44 8.963 -8.222 -14.504
299 HD11 LEU 44 HD11 LEU 44 11.482 -9.831 -15.125
300 HD12 LEU 44 HD12 LEU 44 10.978 -8.349 -15.973
301 HD13 LEU 44 HD13 LEU 44 11.410 -8.282 -14.252
302 HD21 LEU 44 HD21 LEU 44 7.785 -10.112 -15.569
303 HD22 LEU 44 HD22 LEU 44 8.872 -9.293 -16.711
304 HD23 LEU 44 HD23 LEU 44 9.354 -10.848 -15.989
305 H GLY 45 H GLY 45 9.396 -8.887 -9.666
306 HA2 GLY 45 HA2 GLY 45 8.481 -7.140 -8.525
307 HA3 GLY 45 HA3 GLY 45 8.785 -6.104 -9.928
308 H THR 46 H THR 46 6.798 -9.015 -10.331
309 HA THR 46 HA THR 46 4.676 -7.352 -11.344
310 HB THR 46 HB THR 46 3.579 -9.554 -11.834
311 HG1 THR 46 HG1 THR 46 4.851 -11.395 -11.424
312 HG21 THR 46 HG21 THR 46 5.103 -8.503 -13.444
313 HG22 THR 46 HG22 THR 46 6.499 -9.272 -12.651
314 HG23 THR 46 HG23 THR 46 5.279 -10.273 -13.472
315 H THR 47 H THR 47 5.280 -7.694 -8.195
316 HA THR 47 HA THR 47 2.373 -7.896 -7.537
317 HB THR 47 HB THR 47 4.686 -8.924 -5.857
318 HG1 THR 47 HG1 THR 47 4.247 -10.204 -7.692
319 HG21 THR 47 HG21 THR 47 1.667 -9.081 -5.515
320 HG22 THR 47 HG22 THR 47 2.841 -9.997 -4.542
321 HG23 THR 47 HG23 THR 47 2.819 -8.230 -4.452
322 H CYS 48 H CYS 48 1.635 -6.606 -5.823
323 HA CYS 48 HA CYS 48 3.378 -4.277 -5.152
324 HB2 CYS 48 HB2 CYS 48 1.483 -3.627 -6.489
325 HB3 CYS 48 HB3 CYS 48 0.391 -4.600 -5.506
326 H THR 49 H THR 49 3.657 -3.703 -3.049
327 HA THR 49 HA THR 49 2.168 -5.145 -0.920
328 HB THR 49 HB THR 49 5.194 -5.006 -1.178
329 HG1 THR 49 HG1 THR 49 4.222 -6.664 -2.367
330 HG21 THR 49 HG21 THR 49 4.593 -4.725 1.171
331 HG22 THR 49 HG22 THR 49 3.417 -6.061 1.060
332 HG23 THR 49 HG23 THR 49 5.157 -6.389 0.925
333 H CYS 50 H CYS 50 2.059 -3.999 1.051
334 HA CYS 50 HA CYS 50 2.665 -1.108 0.750
335 HB2 CYS 50 HB2 CYS 50 0.748 -2.516 2.622
336 HB3 CYS 50 HB3 CYS 50 0.941 -0.769 2.412
337 H ILE 51 H ILE 51 3.153 0.075 2.771
338 HA ILE 51 HA ILE 51 5.168 -1.425 4.383
339 HB ILE 51 HB ILE 51 5.052 1.490 3.550
340 HG12 ILE 51 HG12 ILE 51 5.631 0.045 1.661
341 HG13 ILE 51 HG13 ILE 51 7.016 1.013 2.169
342 HG21 ILE 51 HG21 ILE 51 7.119 -0.027 5.189
343 HG22 ILE 51 HG22 ILE 51 7.382 1.577 4.469
344 HG23 ILE 51 HG23 ILE 51 6.116 1.362 5.689
345 HD11 ILE 51 HD11 ILE 51 6.554 -1.920 2.855
346 HD12 ILE 51 HD12 ILE 51 7.685 -1.271 1.650
347 HD13 ILE 51 HD13 ILE 51 7.953 -0.937 3.374
348 H ASN 52 H ASN 52 5.231 -1.125 6.594
349 HA ASN 52 HA ASN 52 2.733 -0.483 7.848
350 HB2 ASN 52 HB2 ASN 52 5.509 -1.048 8.955
351 HB3 ASN 52 HB3 ASN 52 4.063 -0.922 9.956
352 HD21 ASN 52 HD21 ASN 52 5.392 -3.230 10.192
353 HD22 ASN 52 HD22 ASN 52 4.570 -4.528 9.355
354 HA PRO 53 HA PRO 53 2.286 0.096 10.185
355 HB2 PRO 53 HB2 PRO 53 0.497 1.894 11.145
356 HB3 PRO 53 HB3 PRO 53 2.162 1.772 11.810
357 HG2 PRO 53 HG2 PRO 53 1.145 3.696 9.690
358 HG3 PRO 53 HG3 PRO 53 2.042 4.095 11.196
359 HD2 PRO 53 HD2 PRO 53 3.329 3.807 8.813
360 HD3 PRO 53 HD3 PRO 53 4.055 3.204 10.336
361 H CYS 54 H CYS 54 0.017 -0.532 9.980
362 HA CYS 54 HA CYS 54 -1.402 0.498 7.591
363 HB2 CYS 54 HB2 CYS 54 -0.644 -2.364 8.190
364 HB3 CYS 54 HB3 CYS 54 -1.941 -1.942 7.080
365 HA PRO 55 HA PRO 55 -4.052 -0.074 11.429
366 HB2 PRO 55 HB2 PRO 55 -5.328 2.360 11.264
367 HB3 PRO 55 HB3 PRO 55 -3.771 2.102 12.113
368 HG2 PRO 55 HG2 PRO 55 -4.197 3.077 9.264
369 HG3 PRO 55 HG3 PRO 55 -3.168 3.817 10.544
370 HD2 PRO 55 HD2 PRO 55 -2.080 2.204 8.689
371 HD3 PRO 55 HD3 PRO 55 -1.586 2.048 10.403
372 H ARG 56 H ARG 56 -6.424 -0.194 11.502
373 HA ARG 56 HA ARG 56 -7.397 -1.375 9.042
374 HB2 ARG 56 HB2 ARG 56 -8.731 -0.907 11.728
375 HB3 ARG 56 HB3 ARG 56 -9.412 -1.872 10.398
376 HG2 ARG 56 HG2 ARG 56 -7.406 -3.347 10.462
377 HG3 ARG 56 HG3 ARG 56 -6.795 -2.440 11.858
378 HD2 ARG 56 HD2 ARG 56 -9.447 -3.926 11.729
379 HD3 ARG 56 HD3 ARG 56 -7.972 -4.526 12.517
380 HE ARG 56 HE ARG 56 -8.483 -2.014 13.651
381 HH11 ARG 56 HH11 ARG 56 -10.086 -5.164 13.472
382 HH12 ARG 56 HH12 ARG 56 -10.919 -4.947 14.993
383 HH21 ARG 56 HH21 ARG 56 -9.572 -1.770 15.627
384 HH22 ARG 56 HH22 ARG 56 -10.623 -3.038 16.212
385 H CYS 57 H CYS 57 -9.449 -0.934 8.045
386 HA CYS 57 HA CYS 57 -10.559 1.778 8.335
387 HB2 CYS 57 HB2 CYS 57 -8.708 2.049 6.757
388 HB3 CYS 57 HB3 CYS 57 -9.310 0.707 5.783
Start of MODEL 6
1 HA PCA 1 HA PCA 1 -17.291 0.243 -1.516
2 HB2 PCA 1 HB2 PCA 1 -14.879 -1.518 -2.071
3 HB3 PCA 1 HB3 PCA 1 -16.457 -1.988 -1.343
4 HG2 PCA 1 HG2 PCA 1 -17.556 -1.870 -3.451
5 HG3 PCA 1 HG3 PCA 1 -15.923 -2.370 -4.012
6 H ASN 2 H ASN 2 -16.163 -0.158 0.658
7 HA ASN 2 HA ASN 2 -14.456 2.075 1.297
8 HB2 ASN 2 HB2 ASN 2 -16.112 1.204 2.867
9 HB3 ASN 2 HB3 ASN 2 -15.353 -0.389 2.836
10 HD21 ASN 2 HD21 ASN 2 -13.610 -0.832 4.145
11 HD22 ASN 2 HD22 ASN 2 -12.912 0.331 5.250
12 H CYS 3 H CYS 3 -13.891 -1.212 0.256
13 HA CYS 3 HA CYS 3 -11.006 -0.774 0.250
14 HB2 CYS 3 HB2 CYS 3 -10.724 -3.009 1.545
15 HB3 CYS 3 HB3 CYS 3 -10.923 -1.495 2.422
16 HA PRO 4 HA PRO 4 -12.312 -3.613 -3.123
17 HB2 PRO 4 HB2 PRO 4 -10.968 -2.390 -5.120
18 HB3 PRO 4 HB3 PRO 4 -12.529 -1.738 -4.514
19 HG2 PRO 4 HG2 PRO 4 -9.729 -0.872 -3.724
20 HG3 PRO 4 HG3 PRO 4 -11.095 0.169 -4.264
21 HD2 PRO 4 HD2 PRO 4 -10.540 -0.246 -1.619
22 HD3 PRO 4 HD3 PRO 4 -12.225 -0.103 -2.205
23 H THR 5 H THR 5 -10.718 -4.795 -4.653
24 HA THR 5 HA THR 5 -8.077 -5.158 -3.294
25 HB THR 5 HB THR 5 -9.757 -7.288 -4.669
26 HG1 THR 5 HG1 THR 5 -10.112 -8.001 -2.554
27 HG21 THR 5 HG21 THR 5 -8.136 -8.825 -3.579
28 HG22 THR 5 HG22 THR 5 -7.326 -7.727 -4.717
29 HG23 THR 5 HG23 THR 5 -7.228 -7.426 -2.966
30 H ARG 6 H ARG 6 -6.303 -5.067 -4.598
31 HA ARG 6 HA ARG 6 -6.633 -5.278 -7.539
32 HB2 ARG 6 HB2 ARG 6 -5.345 -2.964 -6.043
33 HB3 ARG 6 HB3 ARG 6 -5.193 -3.231 -7.784
34 HG2 ARG 6 HG2 ARG 6 -7.838 -2.753 -6.345
35 HG3 ARG 6 HG3 ARG 6 -6.895 -1.518 -7.189
36 HD2 ARG 6 HD2 ARG 6 -7.048 -2.873 -9.284
37 HD3 ARG 6 HD3 ARG 6 -8.097 -4.019 -8.446
38 HE ARG 6 HE ARG 6 -8.747 -1.243 -9.260
39 HH11 ARG 6 HH11 ARG 6 -9.803 -4.185 -7.581
40 HH12 ARG 6 HH12 ARG 6 -11.496 -3.760 -7.680
41 HH21 ARG 6 HH21 ARG 6 -10.951 -0.719 -9.337
42 HH22 ARG 6 HH22 ARG 6 -12.140 -1.794 -8.636
43 H ARG 7 H ARG 7 -4.781 -5.965 -8.596
44 HA ARG 7 HA ARG 7 -2.277 -6.442 -7.075
45 HB2 ARG 7 HB2 ARG 7 -3.886 -8.529 -8.601
46 HB3 ARG 7 HB3 ARG 7 -2.210 -8.755 -8.103
47 HG2 ARG 7 HG2 ARG 7 -4.473 -8.246 -6.123
48 HG3 ARG 7 HG3 ARG 7 -3.967 -9.846 -6.662
49 HD2 ARG 7 HD2 ARG 7 -2.826 -9.538 -4.643
50 HD3 ARG 7 HD3 ARG 7 -1.608 -9.258 -5.902
51 HE ARG 7 HE ARG 7 -2.979 -6.845 -4.983
52 HH11 ARG 7 HH11 ARG 7 -0.247 -9.022 -4.359
53 HH12 ARG 7 HH12 ARG 7 0.659 -7.789 -3.506
54 HH21 ARG 7 HH21 ARG 7 -1.780 -5.310 -3.819
55 HH22 ARG 7 HH22 ARG 7 -0.194 -5.726 -3.196
56 H GLY 8 H GLY 8 -0.484 -6.977 -8.554
57 HA2 GLY 8 HA2 GLY 8 0.730 -6.793 -10.489
58 HA3 GLY 8 HA3 GLY 8 -0.789 -6.839 -11.402
59 H LEU 9 H LEU 9 -0.645 -4.341 -8.995
60 HA LEU 9 HA LEU 9 -1.056 -2.262 -10.863
61 HB2 LEU 9 HB2 LEU 9 -0.048 -2.260 -7.994
62 HB3 LEU 9 HB3 LEU 9 -0.511 -0.795 -8.870
63 HG LEU 9 HG LEU 9 -2.384 -3.148 -8.385
64 HD11 LEU 9 HD11 LEU 9 -2.138 -0.469 -6.961
65 HD12 LEU 9 HD12 LEU 9 -3.411 -1.681 -6.676
66 HD13 LEU 9 HD13 LEU 9 -1.717 -2.056 -6.273
67 HD21 LEU 9 HD21 LEU 9 -4.129 -1.480 -9.001
68 HD22 LEU 9 HD22 LEU 9 -2.862 -0.287 -9.347
69 HD23 LEU 9 HD23 LEU 9 -2.996 -1.757 -10.339
70 H CYS 10 H CYS 10 1.957 -3.691 -9.709
71 HA CYS 10 HA CYS 10 3.496 -1.352 -10.531
72 HB2 CYS 10 HB2 CYS 10 3.899 -2.871 -8.504
73 HB3 CYS 10 HB3 CYS 10 4.625 -4.006 -9.642
74 H VAL 11 H VAL 11 1.970 -3.527 -12.356
75 HA VAL 11 HA VAL 11 4.179 -3.649 -14.370
76 HB VAL 11 HB VAL 11 1.907 -5.635 -13.951
77 HG11 VAL 11 HG11 VAL 11 4.359 -5.688 -15.762
78 HG12 VAL 11 HG12 VAL 11 3.228 -7.034 -15.534
79 HG13 VAL 11 HG13 VAL 11 2.661 -5.535 -16.291
80 HG21 VAL 11 HG21 VAL 11 3.517 -5.806 -12.109
81 HG22 VAL 11 HG22 VAL 11 3.708 -7.177 -13.211
82 HG23 VAL 11 HG23 VAL 11 4.873 -5.834 -13.271
83 H THR 12 H THR 12 0.832 -2.798 -13.639
84 HA THR 12 HA THR 12 0.315 -2.288 -16.525
85 HB THR 12 HB THR 12 -2.050 -2.085 -15.793
86 HG1 THR 12 HG1 THR 12 -2.517 -2.708 -13.663
87 HG21 THR 12 HG21 THR 12 -2.398 -4.463 -15.309
88 HG22 THR 12 HG22 THR 12 -1.120 -4.275 -16.527
89 HG23 THR 12 HG23 THR 12 -0.693 -4.646 -14.836
90 H SER 13 H SER 13 1.033 -0.669 -13.531
91 HA SER 13 HA SER 13 0.596 1.953 -14.864
92 HB2 SER 13 HB2 SER 13 -0.508 0.986 -12.210
93 HB3 SER 13 HB3 SER 13 -0.293 2.702 -12.594
94 HG SER 13 HG SER 13 -2.395 1.909 -13.131
95 H GLY 14 H GLY 14 2.351 -0.095 -12.624
96 HA2 GLY 14 HA2 GLY 14 4.655 0.248 -12.164
97 HA3 GLY 14 HA3 GLY 14 4.460 1.983 -12.433
98 H LEU 15 H LEU 15 5.810 1.742 -10.322
99 HA LEU 15 HA LEU 15 4.669 0.858 -7.904
100 HB2 LEU 15 HB2 LEU 15 7.047 1.246 -8.190
101 HB3 LEU 15 HB3 LEU 15 6.771 2.956 -8.555
102 HG LEU 15 HG LEU 15 5.952 3.337 -6.259
103 HD11 LEU 15 HD11 LEU 15 5.071 1.063 -5.742
104 HD12 LEU 15 HD12 LEU 15 6.734 0.422 -5.779
105 HD13 LEU 15 HD13 LEU 15 6.247 1.590 -4.532
106 HD21 LEU 15 HD21 LEU 15 8.341 3.619 -6.793
107 HD22 LEU 15 HD22 LEU 15 8.114 3.055 -5.122
108 HD23 LEU 15 HD23 LEU 15 8.643 1.916 -6.388
109 H THR 16 H THR 16 4.169 3.870 -9.693
110 HA THR 16 HA THR 16 3.319 5.489 -7.524
111 HB THR 16 HB THR 16 2.343 5.595 -10.400
112 HG1 THR 16 HG1 THR 16 4.167 6.910 -10.703
113 HG21 THR 16 HG21 THR 16 2.242 8.036 -9.937
114 HG22 THR 16 HG22 THR 16 1.153 7.115 -8.873
115 HG23 THR 16 HG23 THR 16 2.701 7.722 -8.248
116 H ALA 17 H ALA 17 1.553 3.063 -9.494
117 HA ALA 17 HA ALA 17 -1.018 3.831 -8.318
118 HB1 ALA 17 HB1 ALA 17 -0.879 3.024 -10.613
119 HB2 ALA 17 HB2 ALA 17 -0.181 1.484 -10.053
120 HB3 ALA 17 HB3 ALA 17 -1.856 1.913 -9.623
121 H CYS 18 H CYS 18 1.541 1.426 -7.761
122 HA CYS 18 HA CYS 18 0.036 -0.184 -5.908
123 HB2 CYS 18 HB2 CYS 18 2.009 -1.031 -7.030
124 HB3 CYS 18 HB3 CYS 18 2.996 0.287 -6.387
125 H ARG 19 H ARG 19 1.926 2.822 -5.683
126 HA ARG 19 HA ARG 19 1.932 2.839 -2.778
127 HB2 ARG 19 HB2 ARG 19 3.653 3.892 -4.325
128 HB3 ARG 19 HB3 ARG 19 2.451 5.135 -4.717
129 HG2 ARG 19 HG2 ARG 19 2.308 5.746 -2.314
130 HG3 ARG 19 HG3 ARG 19 3.467 4.460 -1.917
131 HD2 ARG 19 HD2 ARG 19 5.160 5.556 -3.366
132 HD3 ARG 19 HD3 ARG 19 4.024 6.862 -3.716
133 HE ARG 19 HE ARG 19 5.307 6.270 -1.088
134 HH11 ARG 19 HH11 ARG 19 3.406 8.470 -3.109
135 HH12 ARG 19 HH12 ARG 19 3.543 9.803 -1.980
136 HH21 ARG 19 HH21 ARG 19 5.473 8.016 0.346
137 HH22 ARG 19 HH22 ARG 19 4.711 9.541 -0.027
138 H ASN 20 H ASN 20 -0.046 4.262 -5.368
139 HA ASN 20 HA ASN 20 -1.621 5.898 -3.575
140 HB2 ASN 20 HB2 ASN 20 -2.107 4.879 -6.400
141 HB3 ASN 20 HB3 ASN 20 -3.175 6.002 -5.559
142 HD21 ASN 20 HD21 ASN 20 -2.119 6.818 -7.929
143 HD22 ASN 20 HD22 ASN 20 -0.881 8.033 -7.670
144 H HIS 21 H HIS 21 -1.701 2.491 -4.498
145 HA HIS 21 HA HIS 21 -4.430 2.105 -3.540
146 HB2 HIS 21 HB2 HIS 21 -3.440 0.753 -5.336
147 HB3 HIS 21 HB3 HIS 21 -2.200 0.159 -4.218
148 HD1 HIS 21 HD1 HIS 21 -6.066 -0.006 -4.561
149 HD2 HIS 21 HD2 HIS 21 -2.777 -2.005 -2.880
150 HE1 HIS 21 HE1 HIS 21 -6.964 -2.180 -3.566
151 H CYS 22 H CYS 22 -1.113 1.736 -2.276
152 HA CYS 22 HA CYS 22 -1.982 0.483 0.200
153 HB2 CYS 22 HB2 CYS 22 0.598 1.781 -0.700
154 HB3 CYS 22 HB3 CYS 22 0.391 1.056 0.889
155 H ARG 23 H ARG 23 -1.508 3.832 -0.913
156 HA ARG 23 HA ARG 23 -1.704 4.889 1.819
157 HB2 ARG 23 HB2 ARG 23 -1.445 6.194 -0.911
158 HB3 ARG 23 HB3 ARG 23 -1.624 7.094 0.609
159 HG2 ARG 23 HG2 ARG 23 0.407 6.054 1.522
160 HG3 ARG 23 HG3 ARG 23 0.583 5.067 0.060
161 HD2 ARG 23 HD2 ARG 23 2.081 7.010 -0.026
162 HD3 ARG 23 HD3 ARG 23 0.857 7.114 -1.297
163 HE ARG 23 HE ARG 23 0.848 8.674 1.266
164 HH11 ARG 23 HH11 ARG 23 -0.143 8.321 -2.117
165 HH12 ARG 23 HH12 ARG 23 -0.852 9.920 -2.181
166 HH21 ARG 23 HH21 ARG 23 -0.080 10.740 1.133
167 HH22 ARG 23 HH22 ARG 23 -0.816 11.278 -0.355
168 H SER 24 H SER 24 -3.898 3.512 -0.132
169 HA SER 24 HA SER 24 -6.105 5.190 0.975
170 HB2 SER 24 HB2 SER 24 -6.062 3.641 -1.644
171 HB3 SER 24 HB3 SER 24 -7.450 4.518 -0.962
172 HG SER 24 HG SER 24 -4.988 5.547 -1.899
173 H CYS 25 H CYS 25 -8.144 3.805 1.307
174 HA CYS 25 HA CYS 25 -7.326 1.508 2.850
175 HB2 CYS 25 HB2 CYS 25 -10.124 2.406 2.101
176 HB3 CYS 25 HB3 CYS 25 -9.664 1.275 3.385
177 H HIS 26 H HIS 26 -7.370 -0.621 2.371
178 HA HIS 26 HA HIS 26 -8.605 -1.548 -0.155
179 HB2 HIS 26 HB2 HIS 26 -6.420 -2.689 -0.714
180 HB3 HIS 26 HB3 HIS 26 -6.384 -0.934 -0.853
181 HD1 HIS 26 HD1 HIS 26 -4.559 0.296 0.508
182 HD2 HIS 26 HD2 HIS 26 -5.281 -3.671 1.733
183 HE1 HIS 26 HE1 HIS 26 -2.781 -0.256 2.284
184 HE2 HIS 26 HE2 HIS 26 -3.255 -2.673 3.027
185 H ARG 27 H ARG 27 -8.314 -4.013 -0.312
186 HA ARG 27 HA ARG 27 -9.378 -5.090 2.133
187 HB2 ARG 27 HB2 ARG 27 -10.008 -5.706 -0.268
188 HB3 ARG 27 HB3 ARG 27 -8.481 -6.580 -0.365
189 HG2 ARG 27 HG2 ARG 27 -10.345 -8.097 0.180
190 HG3 ARG 27 HG3 ARG 27 -9.181 -8.038 1.515
191 HD2 ARG 27 HD2 ARG 27 -11.522 -7.956 2.310
192 HD3 ARG 27 HD3 ARG 27 -10.632 -6.492 2.750
193 HE ARG 27 HE ARG 27 -11.711 -5.559 0.553
194 HH11 ARG 27 HH11 ARG 27 -13.276 -7.750 2.841
195 HH12 ARG 27 HH12 ARG 27 -14.887 -7.171 2.467
196 HH21 ARG 27 HH21 ARG 27 -13.785 -4.834 0.090
197 HH22 ARG 27 HH22 ARG 27 -15.177 -5.513 0.912
198 H GLY 28 H GLY 28 -8.483 -6.372 3.652
199 HA2 GLY 28 HA2 GLY 28 -5.550 -6.858 3.516
200 HA3 GLY 28 HA3 GLY 28 -6.517 -6.708 4.986
201 H ASP 29 H ASP 29 -5.447 -8.799 5.552
202 HA ASP 29 HA ASP 29 -6.363 -11.152 4.033
203 HB2 ASP 29 HB2 ASP 29 -4.004 -10.852 4.771
204 HB3 ASP 29 HB3 ASP 29 -4.541 -10.898 6.453
205 H VAL 30 H VAL 30 -7.304 -9.337 6.822
206 HA VAL 30 HA VAL 30 -9.220 -11.480 7.562
207 HB VAL 30 HB VAL 30 -7.191 -11.596 9.007
208 HG11 VAL 30 HG11 VAL 30 -6.783 -9.841 10.667
209 HG12 VAL 30 HG12 VAL 30 -6.593 -9.201 9.023
210 HG13 VAL 30 HG13 VAL 30 -8.062 -8.832 9.960
211 HG21 VAL 30 HG21 VAL 30 -9.443 -12.287 9.829
212 HG22 VAL 30 HG22 VAL 30 -8.353 -11.720 11.117
213 HG23 VAL 30 HG23 VAL 30 -9.649 -10.662 10.532
214 H GLY 31 H GLY 31 -8.733 -8.312 6.639
215 HA2 GLY 31 HA2 GLY 31 -11.422 -7.485 7.164
216 HA3 GLY 31 HA3 GLY 31 -10.311 -6.726 8.320
217 H CYS 32 H CYS 32 -10.566 -4.618 7.458
218 HA CYS 32 HA CYS 32 -9.162 -4.254 4.856
219 HB2 CYS 32 HB2 CYS 32 -11.614 -2.782 5.866
220 HB3 CYS 32 HB3 CYS 32 -10.617 -2.260 4.506
221 H VAL 33 H VAL 33 -7.718 -2.614 4.693
222 HA VAL 33 HA VAL 33 -7.131 -0.990 7.105
223 HB VAL 33 HB VAL 33 -4.793 -1.749 7.128
224 HG11 VAL 33 HG11 VAL 33 -6.710 -4.102 7.404
225 HG12 VAL 33 HG12 VAL 33 -5.109 -3.931 8.151
226 HG13 VAL 33 HG13 VAL 33 -6.429 -2.854 8.643
227 HG21 VAL 33 HG21 VAL 33 -4.118 -3.775 5.915
228 HG22 VAL 33 HG22 VAL 33 -5.709 -3.854 5.122
229 HG23 VAL 33 HG23 VAL 33 -4.613 -2.491 4.790
230 H ARG 34 H ARG 34 -5.246 0.458 6.721
231 HA ARG 34 HA ARG 34 -4.693 1.123 3.891
232 HB2 ARG 34 HB2 ARG 34 -4.981 3.536 4.408
233 HB3 ARG 34 HB3 ARG 34 -6.501 2.633 4.548
234 HG2 ARG 34 HG2 ARG 34 -6.212 2.518 7.008
235 HG3 ARG 34 HG3 ARG 34 -4.698 3.442 6.870
236 HD2 ARG 34 HD2 ARG 34 -5.903 5.337 5.918
237 HD3 ARG 34 HD3 ARG 34 -7.425 4.420 5.942
238 HE ARG 34 HE ARG 34 -6.385 4.428 8.574
239 HH11 ARG 34 HH11 ARG 34 -7.681 6.721 6.219
240 HH12 ARG 34 HH12 ARG 34 -8.295 7.811 7.441
241 HH21 ARG 34 HH21 ARG 34 -7.213 5.857 10.149
242 HH22 ARG 34 HH22 ARG 34 -8.031 7.320 9.661
243 H CYS 35 H CYS 35 -2.596 2.203 3.658
244 HA CYS 35 HA CYS 35 -0.886 1.895 6.086
245 HB2 CYS 35 HB2 CYS 35 -0.194 1.112 3.250
246 HB3 CYS 35 HB3 CYS 35 0.832 0.923 4.666
247 H SER 36 H SER 36 1.514 2.722 5.162
248 HA SER 36 HA SER 36 0.964 5.600 4.681
249 HB2 SER 36 HB2 SER 36 3.208 4.099 6.064
250 HB3 SER 36 HB3 SER 36 3.202 5.847 5.800
251 HG SER 36 HG SER 36 1.276 5.958 7.019
252 H ASN 37 H ASN 37 2.828 2.848 3.373
253 HA ASN 37 HA ASN 37 3.553 4.472 1.051
254 HB2 ASN 37 HB2 ASN 37 5.292 4.927 2.882
255 HB3 ASN 37 HB3 ASN 37 5.787 3.244 2.728
256 HD21 ASN 37 HD21 ASN 37 7.887 4.363 2.212
257 HD22 ASN 37 HD22 ASN 37 8.172 4.796 0.536
258 H ALA 38 H ALA 38 5.229 2.858 -0.322
259 HA ALA 38 HA ALA 38 4.362 0.064 -0.036
260 HB1 ALA 38 HB1 ALA 38 3.711 1.691 -2.519
261 HB2 ALA 38 HB2 ALA 38 3.333 -0.023 -2.246
262 HB3 ALA 38 HB3 ALA 38 2.522 1.223 -1.274
263 H GLN 39 H GLN 39 5.301 -1.324 -1.742
264 HA GLN 39 HA GLN 39 7.479 -0.277 -3.386
265 HB2 GLN 39 HB2 GLN 39 9.139 -1.840 -2.501
266 HB3 GLN 39 HB3 GLN 39 8.635 -0.693 -1.251
267 HG2 GLN 39 HG2 GLN 39 7.213 -2.364 -0.209
268 HG3 GLN 39 HG3 GLN 39 7.469 -3.494 -1.553
269 HE21 GLN 39 HE21 GLN 39 9.412 -1.610 0.870
270 HE22 GLN 39 HE22 GLN 39 10.578 -2.888 1.138
271 H CYS 40 H CYS 40 8.379 -2.194 -4.746
272 HA CYS 40 HA CYS 40 6.122 -4.071 -5.246
273 HB2 CYS 40 HB2 CYS 40 8.270 -3.223 -7.197
274 HB3 CYS 40 HB3 CYS 40 6.846 -4.224 -7.519
275 H THR 41 H THR 41 6.526 -6.251 -5.563
276 HA THR 41 HA THR 41 9.217 -7.238 -4.735
277 HB THR 41 HB THR 41 8.121 -8.856 -3.245
278 HG1 THR 41 HG1 THR 41 5.912 -8.580 -2.818
279 HG21 THR 41 HG21 THR 41 7.222 -6.010 -2.613
280 HG22 THR 41 HG22 THR 41 7.489 -7.335 -1.456
281 HG23 THR 41 HG23 THR 41 8.861 -6.640 -2.341
282 H GLY 42 H GLY 42 9.006 -9.830 -4.817
283 HA2 GLY 42 HA2 GLY 42 8.265 -11.713 -6.094
284 HA3 GLY 42 HA3 GLY 42 7.672 -10.622 -7.355
285 H PHE 43 H PHE 43 9.013 -12.422 -8.521
286 HA PHE 43 HA PHE 43 11.866 -12.375 -8.385
287 HB2 PHE 43 HB2 PHE 43 10.690 -14.294 -9.237
288 HB3 PHE 43 HB3 PHE 43 9.847 -13.318 -10.438
289 HD1 PHE 43 HD2 PHE 43 13.295 -14.442 -9.464
290 HD2 PHE 43 HD1 PHE 43 10.681 -13.101 -12.604
291 HE1 PHE 43 HE2 PHE 43 15.066 -14.897 -11.138
292 HE2 PHE 43 HE1 PHE 43 12.459 -13.542 -14.273
293 HZ PHE 43 HZ PHE 43 14.655 -14.419 -13.545
294 H LEU 44 H LEU 44 9.585 -10.234 -9.970
295 HA LEU 44 HA LEU 44 11.861 -8.816 -11.188
296 HB2 LEU 44 HB2 LEU 44 10.841 -10.556 -12.782
297 HB3 LEU 44 HB3 LEU 44 9.414 -9.518 -12.844
298 HG LEU 44 HG LEU 44 10.854 -7.660 -13.736
299 HD11 LEU 44 HD11 LEU 44 13.024 -8.281 -12.759
300 HD12 LEU 44 HD12 LEU 44 13.022 -9.809 -13.676
301 HD13 LEU 44 HD13 LEU 44 13.146 -8.253 -14.525
302 HD21 LEU 44 HD21 LEU 44 9.690 -9.238 -15.256
303 HD22 LEU 44 HD22 LEU 44 11.236 -8.677 -15.940
304 HD23 LEU 44 HD23 LEU 44 11.111 -10.302 -15.224
305 H GLY 45 H GLY 45 9.779 -8.427 -8.962
306 HA2 GLY 45 HA2 GLY 45 8.847 -6.535 -8.052
307 HA3 GLY 45 HA3 GLY 45 9.362 -5.612 -9.478
308 H THR 46 H THR 46 7.443 -8.498 -9.996
309 HA THR 46 HA THR 46 5.379 -6.864 -11.237
310 HB THR 46 HB THR 46 4.477 -9.087 -11.953
311 HG1 THR 46 HG1 THR 46 5.786 -10.884 -11.469
312 HG21 THR 46 HG21 THR 46 7.460 -8.666 -12.423
313 HG22 THR 46 HG22 THR 46 6.369 -9.636 -13.435
314 HG23 THR 46 HG23 THR 46 6.138 -7.879 -13.322
315 H THR 47 H THR 47 5.775 -7.610 -8.076
316 HA THR 47 HA THR 47 2.835 -7.899 -7.635
317 HB THR 47 HB THR 47 5.122 -8.888 -5.890
318 HG1 THR 47 HG1 THR 47 4.795 -10.082 -7.799
319 HG21 THR 47 HG21 THR 47 2.095 -9.169 -5.675
320 HG22 THR 47 HG22 THR 47 3.273 -10.079 -4.700
321 HG23 THR 47 HG23 THR 47 3.173 -8.320 -4.533
322 H CYS 48 H CYS 48 1.948 -6.712 -5.855
323 HA CYS 48 HA CYS 48 3.540 -4.281 -5.160
324 HB2 CYS 48 HB2 CYS 48 1.603 -3.778 -6.506
325 HB3 CYS 48 HB3 CYS 48 0.566 -4.764 -5.472
326 H THR 49 H THR 49 3.856 -3.752 -3.052
327 HA THR 49 HA THR 49 2.385 -5.223 -0.938
328 HB THR 49 HB THR 49 5.415 -5.007 -1.158
329 HG1 THR 49 HG1 THR 49 5.235 -7.274 -1.254
330 HG21 THR 49 HG21 THR 49 4.734 -4.819 1.182
331 HG22 THR 49 HG22 THR 49 3.635 -6.213 1.000
332 HG23 THR 49 HG23 THR 49 5.399 -6.432 0.890
333 H CYS 50 H CYS 50 2.224 -4.089 1.026
334 HA CYS 50 HA CYS 50 2.763 -1.182 0.738
335 HB2 CYS 50 HB2 CYS 50 0.908 -2.633 2.638
336 HB3 CYS 50 HB3 CYS 50 1.046 -0.888 2.406
337 H ILE 51 H ILE 51 3.231 0.012 2.758
338 HA ILE 51 HA ILE 51 5.297 -1.426 4.359
339 HB ILE 51 HB ILE 51 5.061 1.483 3.554
340 HG12 ILE 51 HG12 ILE 51 5.674 0.031 1.659
341 HG13 ILE 51 HG13 ILE 51 6.995 1.103 2.130
342 HG21 ILE 51 HG21 ILE 51 7.197 0.024 5.154
343 HG22 ILE 51 HG22 ILE 51 7.389 1.655 4.463
344 HG23 ILE 51 HG23 ILE 51 6.152 1.359 5.693
345 HD11 ILE 51 HD11 ILE 51 7.804 -1.146 1.622
346 HD12 ILE 51 HD12 ILE 51 8.095 -0.762 3.333
347 HD13 ILE 51 HD13 ILE 51 6.758 -1.848 2.870
348 H ASN 52 H ASN 52 5.393 -1.077 6.580
349 HA ASN 52 HA ASN 52 2.857 -0.536 7.836
350 HB2 ASN 52 HB2 ASN 52 4.078 -1.091 9.908
351 HB3 ASN 52 HB3 ASN 52 4.402 -2.272 8.631
352 HD21 ASN 52 HD21 ASN 52 5.749 0.310 10.630
353 HD22 ASN 52 HD22 ASN 52 7.416 0.065 10.160
354 HA PRO 53 HA PRO 53 2.358 0.045 10.166
355 HB2 PRO 53 HB2 PRO 53 0.569 1.819 11.134
356 HB3 PRO 53 HB3 PRO 53 2.238 1.712 11.789
357 HG2 PRO 53 HG2 PRO 53 1.198 3.649 9.694
358 HG3 PRO 53 HG3 PRO 53 2.114 4.029 11.199
359 HD2 PRO 53 HD2 PRO 53 3.367 3.757 8.787
360 HD3 PRO 53 HD3 PRO 53 4.120 3.170 10.300
361 H CYS 54 H CYS 54 0.082 -0.555 9.976
362 HA CYS 54 HA CYS 54 -1.321 0.483 7.583
363 HB2 CYS 54 HB2 CYS 54 -0.642 -2.394 8.199
364 HB3 CYS 54 HB3 CYS 54 -1.933 -1.944 7.095
365 HA PRO 55 HA PRO 55 -3.974 0.044 11.430
366 HB2 PRO 55 HB2 PRO 55 -5.163 2.514 11.263
367 HB3 PRO 55 HB3 PRO 55 -3.574 2.233 12.058
368 HG2 PRO 55 HG2 PRO 55 -4.089 3.149 9.211
369 HG3 PRO 55 HG3 PRO 55 -3.008 3.907 10.432
370 HD2 PRO 55 HD2 PRO 55 -1.997 2.216 8.597
371 HD3 PRO 55 HD3 PRO 55 -1.460 2.097 10.298
372 H ARG 56 H ARG 56 -6.361 0.106 11.548
373 HA ARG 56 HA ARG 56 -7.478 -1.078 9.160
374 HB2 ARG 56 HB2 ARG 56 -8.723 -0.407 11.848
375 HB3 ARG 56 HB3 ARG 56 -9.491 -1.369 10.575
376 HG2 ARG 56 HG2 ARG 56 -7.613 -2.990 10.651
377 HG3 ARG 56 HG3 ARG 56 -6.883 -2.084 11.989
378 HD2 ARG 56 HD2 ARG 56 -9.652 -3.354 12.017
379 HD3 ARG 56 HD3 ARG 56 -8.198 -4.042 12.761
380 HE ARG 56 HE ARG 56 -8.477 -1.443 13.800
381 HH11 ARG 56 HH11 ARG 56 -10.262 -4.491 13.840
382 HH12 ARG 56 HH12 ARG 56 -10.988 -4.180 15.403
383 HH21 ARG 56 HH21 ARG 56 -9.420 -1.076 15.849
384 HH22 ARG 56 HH22 ARG 56 -10.506 -2.256 16.534
385 H CYS 57 H CYS 57 -9.548 -0.490 8.235
386 HA CYS 57 HA CYS 57 -10.342 2.340 8.419
387 HB2 CYS 57 HB2 CYS 57 -8.587 2.354 6.729
388 HB3 CYS 57 HB3 CYS 57 -9.340 1.005 5.878
Start of MODEL 7
1 HA PCA 1 HA PCA 1 -16.704 -2.373 -1.035
2 HB2 PCA 1 HB2 PCA 1 -18.668 -0.057 -1.085
3 HB3 PCA 1 HB3 PCA 1 -18.469 -1.367 -2.301
4 HG2 PCA 1 HG2 PCA 1 -19.544 -2.949 -0.885
5 HG3 PCA 1 HG3 PCA 1 -20.409 -1.463 -0.352
6 H ASN 2 H ASN 2 -16.183 0.014 1.307
7 HA ASN 2 HA ASN 2 -14.915 1.980 -0.433
8 HB2 ASN 2 HB2 ASN 2 -16.192 2.467 1.700
9 HB3 ASN 2 HB3 ASN 2 -14.840 1.776 2.598
10 HD21 ASN 2 HD21 ASN 2 -14.748 3.960 3.579
11 HD22 ASN 2 HD22 ASN 2 -13.883 5.233 2.737
12 H CYS 3 H CYS 3 -14.011 -1.025 0.116
13 HA CYS 3 HA CYS 3 -11.126 -0.386 0.013
14 HB2 CYS 3 HB2 CYS 3 -10.730 -2.257 1.686
15 HB3 CYS 3 HB3 CYS 3 -11.262 -0.701 2.323
16 HA PRO 4 HA PRO 4 -12.301 -3.712 -2.953
17 HB2 PRO 4 HB2 PRO 4 -11.039 -2.682 -5.123
18 HB3 PRO 4 HB3 PRO 4 -12.619 -2.037 -4.557
19 HG2 PRO 4 HG2 PRO 4 -9.840 -0.966 -3.950
20 HG3 PRO 4 HG3 PRO 4 -11.260 -0.059 -4.578
21 HD2 PRO 4 HD2 PRO 4 -10.629 -0.119 -1.929
22 HD3 PRO 4 HD3 PRO 4 -12.335 -0.119 -2.480
23 H THR 5 H THR 5 -10.680 -4.930 -4.450
24 HA THR 5 HA THR 5 -8.033 -5.145 -3.077
25 HB THR 5 HB THR 5 -9.601 -7.346 -4.480
26 HG1 THR 5 HG1 THR 5 -10.001 -8.074 -2.390
27 HG21 THR 5 HG21 THR 5 -7.965 -8.828 -3.364
28 HG22 THR 5 HG22 THR 5 -7.160 -7.691 -4.458
29 HG23 THR 5 HG23 THR 5 -7.126 -7.403 -2.698
30 H ARG 6 H ARG 6 -6.215 -5.075 -4.391
31 HA ARG 6 HA ARG 6 -6.570 -5.350 -7.320
32 HB2 ARG 6 HB2 ARG 6 -5.179 -2.984 -6.009
33 HB3 ARG 6 HB3 ARG 6 -5.264 -3.326 -7.746
34 HG2 ARG 6 HG2 ARG 6 -7.774 -3.169 -7.610
35 HG3 ARG 6 HG3 ARG 6 -7.597 -2.641 -5.919
36 HD2 ARG 6 HD2 ARG 6 -6.190 -0.746 -6.682
37 HD3 ARG 6 HD3 ARG 6 -6.422 -1.268 -8.364
38 HE ARG 6 HE ARG 6 -8.983 -0.967 -7.209
39 HH11 ARG 6 HH11 ARG 6 -6.204 1.048 -8.071
40 HH12 ARG 6 HH12 ARG 6 -7.167 2.476 -8.339
41 HH21 ARG 6 HH21 ARG 6 -10.226 0.914 -7.581
42 HH22 ARG 6 HH22 ARG 6 -9.445 2.401 -8.064
43 H ARG 7 H ARG 7 -4.753 -6.013 -8.416
44 HA ARG 7 HA ARG 7 -2.232 -6.514 -6.938
45 HB2 ARG 7 HB2 ARG 7 -3.864 -8.580 -8.471
46 HB3 ARG 7 HB3 ARG 7 -2.193 -8.823 -7.975
47 HG2 ARG 7 HG2 ARG 7 -4.446 -8.321 -5.981
48 HG3 ARG 7 HG3 ARG 7 -3.951 -9.919 -6.538
49 HD2 ARG 7 HD2 ARG 7 -2.795 -9.616 -4.511
50 HD3 ARG 7 HD3 ARG 7 -1.588 -9.357 -5.781
51 HE ARG 7 HE ARG 7 -2.921 -6.921 -4.851
52 HH11 ARG 7 HH11 ARG 7 -0.214 -9.123 -4.258
53 HH12 ARG 7 HH12 ARG 7 0.732 -7.891 -3.439
54 HH21 ARG 7 HH21 ARG 7 -1.673 -5.381 -3.759
55 HH22 ARG 7 HH22 ARG 7 -0.087 -5.819 -3.149
56 H GLY 8 H GLY 8 -0.463 -7.075 -8.474
57 HA2 GLY 8 HA2 GLY 8 0.699 -6.881 -10.436
58 HA3 GLY 8 HA3 GLY 8 -0.841 -6.900 -11.306
59 H LEU 9 H LEU 9 -0.495 -4.405 -8.882
60 HA LEU 9 HA LEU 9 -0.917 -2.322 -10.764
61 HB2 LEU 9 HB2 LEU 9 0.193 -2.285 -7.925
62 HB3 LEU 9 HB3 LEU 9 -0.332 -0.848 -8.806
63 HG LEU 9 HG LEU 9 -2.126 -3.239 -8.188
64 HD11 LEU 9 HD11 LEU 9 -1.954 -0.502 -6.861
65 HD12 LEU 9 HD12 LEU 9 -3.144 -1.770 -6.493
66 HD13 LEU 9 HD13 LEU 9 -1.428 -2.044 -6.136
67 HD21 LEU 9 HD21 LEU 9 -3.952 -1.650 -8.789
68 HD22 LEU 9 HD22 LEU 9 -2.726 -0.446 -9.253
69 HD23 LEU 9 HD23 LEU 9 -2.879 -1.970 -10.160
70 H CYS 10 H CYS 10 2.062 -3.818 -9.609
71 HA CYS 10 HA CYS 10 3.739 -1.648 -10.604
72 HB2 CYS 10 HB2 CYS 10 4.348 -4.423 -9.534
73 HB3 CYS 10 HB3 CYS 10 5.581 -3.255 -10.010
74 H VAL 11 H VAL 11 1.911 -3.729 -12.305
75 HA VAL 11 HA VAL 11 4.011 -4.183 -14.386
76 HB VAL 11 HB VAL 11 1.577 -5.906 -13.766
77 HG11 VAL 11 HG11 VAL 11 2.760 -7.539 -15.257
78 HG12 VAL 11 HG12 VAL 11 2.208 -6.092 -16.117
79 HG13 VAL 11 HG13 VAL 11 3.925 -6.263 -15.674
80 HG21 VAL 11 HG21 VAL 11 3.254 -6.088 -11.980
81 HG22 VAL 11 HG22 VAL 11 3.266 -7.555 -12.977
82 HG23 VAL 11 HG23 VAL 11 4.537 -6.329 -13.193
83 H THR 12 H THR 12 1.049 -2.587 -13.630
84 HA THR 12 HA THR 12 0.557 -2.196 -16.552
85 HB THR 12 HB THR 12 -1.088 -3.716 -15.459
86 HG1 THR 12 HG1 THR 12 -2.055 -1.199 -16.333
87 HG21 THR 12 HG21 THR 12 -2.770 -2.774 -13.937
88 HG22 THR 12 HG22 THR 12 -1.153 -2.658 -13.216
89 HG23 THR 12 HG23 THR 12 -1.917 -1.217 -13.922
90 H SER 13 H SER 13 1.090 -0.724 -13.466
91 HA SER 13 HA SER 13 0.648 1.944 -14.709
92 HB2 SER 13 HB2 SER 13 -0.416 0.887 -12.070
93 HB3 SER 13 HB3 SER 13 -0.257 2.618 -12.436
94 HG SER 13 HG SER 13 -2.343 1.774 -12.962
95 H GLY 14 H GLY 14 2.444 -0.157 -12.578
96 HA2 GLY 14 HA2 GLY 14 4.708 0.169 -12.027
97 HA3 GLY 14 HA3 GLY 14 4.546 1.903 -12.338
98 H LEU 15 H LEU 15 5.848 1.708 -10.215
99 HA LEU 15 HA LEU 15 4.692 0.854 -7.798
100 HB2 LEU 15 HB2 LEU 15 7.070 1.264 -8.097
101 HB3 LEU 15 HB3 LEU 15 6.781 2.973 -8.445
102 HG LEU 15 HG LEU 15 5.951 3.328 -6.159
103 HD11 LEU 15 HD11 LEU 15 6.262 1.557 -4.446
104 HD12 LEU 15 HD12 LEU 15 5.073 1.071 -5.663
105 HD13 LEU 15 HD13 LEU 15 6.724 0.407 -5.719
106 HD21 LEU 15 HD21 LEU 15 8.111 3.059 -5.009
107 HD22 LEU 15 HD22 LEU 15 8.651 1.924 -6.272
108 HD23 LEU 15 HD23 LEU 15 8.342 3.630 -6.676
109 H THR 16 H THR 16 4.197 3.859 -9.610
110 HA THR 16 HA THR 16 3.326 5.501 -7.468
111 HB THR 16 HB THR 16 2.353 5.538 -10.348
112 HG1 THR 16 HG1 THR 16 4.152 6.898 -10.656
113 HG21 THR 16 HG21 THR 16 2.652 7.719 -8.240
114 HG22 THR 16 HG22 THR 16 2.168 7.989 -9.929
115 HG23 THR 16 HG23 THR 16 1.114 7.065 -8.849
116 H ALA 17 H ALA 17 1.544 3.065 -9.425
117 HA ALA 17 HA ALA 17 -0.999 3.830 -8.200
118 HB1 ALA 17 HB1 ALA 17 -0.910 2.979 -10.487
119 HB2 ALA 17 HB2 ALA 17 -0.199 1.442 -9.913
120 HB3 ALA 17 HB3 ALA 17 -1.855 1.878 -9.457
121 H CYS 18 H CYS 18 1.586 1.470 -7.624
122 HA CYS 18 HA CYS 18 0.093 -0.155 -5.766
123 HB2 CYS 18 HB2 CYS 18 2.073 -0.974 -6.921
124 HB3 CYS 18 HB3 CYS 18 3.054 0.320 -6.232
125 H ARG 19 H ARG 19 1.942 2.874 -5.542
126 HA ARG 19 HA ARG 19 1.958 2.869 -2.627
127 HB2 ARG 19 HB2 ARG 19 3.664 3.896 -4.241
128 HB3 ARG 19 HB3 ARG 19 2.496 5.202 -4.498
129 HG2 ARG 19 HG2 ARG 19 2.521 5.711 -2.069
130 HG3 ARG 19 HG3 ARG 19 3.626 4.344 -1.791
131 HD2 ARG 19 HD2 ARG 19 5.266 5.428 -3.350
132 HD3 ARG 19 HD3 ARG 19 4.190 6.833 -3.449
133 HE ARG 19 HE ARG 19 4.683 6.307 -0.709
134 HH11 ARG 19 HH11 ARG 19 6.444 7.368 -3.585
135 HH12 ARG 19 HH12 ARG 19 7.634 8.266 -2.666
136 HH21 ARG 19 HH21 ARG 19 6.249 7.464 0.457
137 HH22 ARG 19 HH22 ARG 19 7.515 8.341 -0.379
138 H ASN 20 H ASN 20 -0.030 4.258 -5.226
139 HA ASN 20 HA ASN 20 -1.590 5.933 -3.438
140 HB2 ASN 20 HB2 ASN 20 -2.080 4.882 -6.251
141 HB3 ASN 20 HB3 ASN 20 -3.128 6.042 -5.426
142 HD21 ASN 20 HD21 ASN 20 -2.085 6.798 -7.811
143 HD22 ASN 20 HD22 ASN 20 -0.824 7.996 -7.578
144 H HIS 21 H HIS 21 -1.748 2.545 -4.498
145 HA HIS 21 HA HIS 21 -4.461 2.160 -3.520
146 HB2 HIS 21 HB2 HIS 21 -3.502 0.828 -5.349
147 HB3 HIS 21 HB3 HIS 21 -2.253 0.213 -4.269
148 HD1 HIS 21 HD1 HIS 21 -6.140 0.087 -4.482
149 HD2 HIS 21 HD2 HIS 21 -2.801 -2.003 -3.020
150 HE1 HIS 21 HE1 HIS 21 -7.012 -2.141 -3.585
151 H CYS 22 H CYS 22 -1.162 1.738 -2.240
152 HA CYS 22 HA CYS 22 -2.041 0.410 0.179
153 HB2 CYS 22 HB2 CYS 22 0.513 1.790 -0.651
154 HB3 CYS 22 HB3 CYS 22 0.301 1.047 0.938
155 H ARG 23 H ARG 23 -1.666 3.825 -0.811
156 HA ARG 23 HA ARG 23 -1.948 4.762 1.955
157 HB2 ARG 23 HB2 ARG 23 -1.786 6.128 -0.747
158 HB3 ARG 23 HB3 ARG 23 -2.161 7.005 0.750
159 HG2 ARG 23 HG2 ARG 23 -0.087 6.184 1.785
160 HG3 ARG 23 HG3 ARG 23 0.330 5.301 0.297
161 HD2 ARG 23 HD2 ARG 23 0.451 7.383 -0.958
162 HD3 ARG 23 HD3 ARG 23 -0.173 8.298 0.433
163 HE ARG 23 HE ARG 23 2.177 6.928 1.249
164 HH11 ARG 23 HH11 ARG 23 1.194 9.598 -0.846
165 HH12 ARG 23 HH12 ARG 23 2.710 10.452 -0.661
166 HH21 ARG 23 HH21 ARG 23 4.134 8.039 1.458
167 HH22 ARG 23 HH22 ARG 23 4.375 9.576 0.655
168 H SER 24 H SER 24 -4.055 3.885 -0.681
169 HA SER 24 HA SER 24 -6.391 5.162 0.613
170 HB2 SER 24 HB2 SER 24 -6.174 3.382 -1.845
171 HB3 SER 24 HB3 SER 24 -7.639 4.218 -1.282
172 HG SER 24 HG SER 24 -5.224 5.340 -2.232
173 H CYS 25 H CYS 25 -8.305 3.733 1.130
174 HA CYS 25 HA CYS 25 -7.366 1.514 2.743
175 HB2 CYS 25 HB2 CYS 25 -10.209 2.348 2.102
176 HB3 CYS 25 HB3 CYS 25 -9.679 1.266 3.397
177 H HIS 26 H HIS 26 -7.412 -0.634 2.341
178 HA HIS 26 HA HIS 26 -8.685 -1.636 -0.140
179 HB2 HIS 26 HB2 HIS 26 -6.499 -2.749 -0.716
180 HB3 HIS 26 HB3 HIS 26 -6.481 -0.995 -0.868
181 HD1 HIS 26 HD1 HIS 26 -4.640 0.256 0.479
182 HD2 HIS 26 HD2 HIS 26 -5.350 -3.708 1.732
183 HE1 HIS 26 HE1 HIS 26 -2.863 -0.282 2.257
184 HE2 HIS 26 HE2 HIS 26 -3.308 -2.692 3.002
185 H ARG 27 H ARG 27 -8.380 -4.104 -0.229
186 HA ARG 27 HA ARG 27 -9.421 -5.093 2.257
187 HB2 ARG 27 HB2 ARG 27 -10.068 -5.739 -0.142
188 HB3 ARG 27 HB3 ARG 27 -8.591 -6.704 -0.173
189 HG2 ARG 27 HG2 ARG 27 -10.540 -8.076 0.407
190 HG3 ARG 27 HG3 ARG 27 -9.395 -8.031 1.756
191 HD2 ARG 27 HD2 ARG 27 -11.758 -7.787 2.486
192 HD3 ARG 27 HD3 ARG 27 -10.777 -6.389 2.929
193 HE ARG 27 HE ARG 27 -11.711 -5.338 0.767
194 HH11 ARG 27 HH11 ARG 27 -13.550 -7.621 2.756
195 HH12 ARG 27 HH12 ARG 27 -15.093 -6.966 2.259
196 HH21 ARG 27 HH21 ARG 27 -13.708 -4.520 0.157
197 HH22 ARG 27 HH22 ARG 27 -15.188 -5.220 0.790
198 H GLY 28 H GLY 28 -8.524 -6.452 3.764
199 HA2 GLY 28 HA2 GLY 28 -5.595 -7.032 3.534
200 HA3 GLY 28 HA3 GLY 28 -6.435 -6.661 5.031
201 H ASP 29 H ASP 29 -5.387 -8.752 5.672
202 HA ASP 29 HA ASP 29 -6.485 -11.193 4.463
203 HB2 ASP 29 HB2 ASP 29 -4.087 -10.908 5.060
204 HB3 ASP 29 HB3 ASP 29 -4.543 -10.794 6.766
205 H VAL 30 H VAL 30 -7.234 -9.120 7.127
206 HA VAL 30 HA VAL 30 -9.168 -11.145 8.130
207 HB VAL 30 HB VAL 30 -7.120 -11.120 9.543
208 HG11 VAL 30 HG11 VAL 30 -6.485 -8.749 9.238
209 HG12 VAL 30 HG12 VAL 30 -7.922 -8.247 10.168
210 HG13 VAL 30 HG13 VAL 30 -6.632 -9.179 10.954
211 HG21 VAL 30 HG21 VAL 30 -8.225 -10.942 11.687
212 HG22 VAL 30 HG22 VAL 30 -9.537 -9.970 10.981
213 HG23 VAL 30 HG23 VAL 30 -9.335 -11.674 10.511
214 H GLY 31 H GLY 31 -8.578 -7.992 7.003
215 HA2 GLY 31 HA2 GLY 31 -11.264 -7.165 7.107
216 HA3 GLY 31 HA3 GLY 31 -10.443 -6.449 8.502
217 H CYS 32 H CYS 32 -11.288 -4.551 6.863
218 HA CYS 32 HA CYS 32 -9.329 -4.056 4.747
219 HB2 CYS 32 HB2 CYS 32 -11.726 -2.495 5.738
220 HB3 CYS 32 HB3 CYS 32 -10.628 -1.945 4.458
221 H VAL 33 H VAL 33 -7.787 -2.529 4.668
222 HA VAL 33 HA VAL 33 -7.191 -0.914 7.078
223 HB VAL 33 HB VAL 33 -4.886 -1.765 7.165
224 HG11 VAL 33 HG11 VAL 33 -6.869 -4.069 7.340
225 HG12 VAL 33 HG12 VAL 33 -5.295 -3.954 8.149
226 HG13 VAL 33 HG13 VAL 33 -6.604 -2.849 8.613
227 HG21 VAL 33 HG21 VAL 33 -4.649 -2.479 4.822
228 HG22 VAL 33 HG22 VAL 33 -4.237 -3.795 5.943
229 HG23 VAL 33 HG23 VAL 33 -5.800 -3.808 5.101
230 H ARG 34 H ARG 34 -5.262 0.508 6.693
231 HA ARG 34 HA ARG 34 -4.596 0.973 3.851
232 HB2 ARG 34 HB2 ARG 34 -4.966 3.335 3.993
233 HB3 ARG 34 HB3 ARG 34 -6.470 2.515 4.450
234 HG2 ARG 34 HG2 ARG 34 -5.845 2.828 6.868
235 HG3 ARG 34 HG3 ARG 34 -4.435 3.774 6.337
236 HD2 ARG 34 HD2 ARG 34 -7.365 4.426 5.844
237 HD3 ARG 34 HD3 ARG 34 -6.238 5.301 6.899
238 HE ARG 34 HE ARG 34 -5.208 5.191 4.225
239 HH11 ARG 34 HH11 ARG 34 -7.693 6.807 6.151
240 HH12 ARG 34 HH12 ARG 34 -7.740 8.219 5.115
241 HH21 ARG 34 HH21 ARG 34 -5.300 7.008 2.897
242 HH22 ARG 34 HH22 ARG 34 -6.373 8.337 3.280
243 H CYS 35 H CYS 35 -2.515 2.147 3.650
244 HA CYS 35 HA CYS 35 -0.840 1.813 6.099
245 HB2 CYS 35 HB2 CYS 35 -0.143 1.072 3.253
246 HB3 CYS 35 HB3 CYS 35 0.883 0.861 4.667
247 H SER 36 H SER 36 1.564 2.642 5.222
248 HA SER 36 HA SER 36 1.076 5.526 4.840
249 HB2 SER 36 HB2 SER 36 3.366 5.689 5.786
250 HB3 SER 36 HB3 SER 36 2.259 4.780 6.845
251 HG SER 36 HG SER 36 4.267 3.710 6.577
252 H ASN 37 H ASN 37 2.976 2.840 3.469
253 HA ASN 37 HA ASN 37 3.520 4.402 1.018
254 HB2 ASN 37 HB2 ASN 37 5.594 3.516 3.037
255 HB3 ASN 37 HB3 ASN 37 6.012 3.607 1.322
256 HD21 ASN 37 HD21 ASN 37 6.934 5.202 3.697
257 HD22 ASN 37 HD22 ASN 37 6.671 6.868 3.217
258 H ALA 38 H ALA 38 5.194 2.804 -0.307
259 HA ALA 38 HA ALA 38 4.387 -0.002 -0.060
260 HB1 ALA 38 HB1 ALA 38 2.475 1.157 -1.231
261 HB2 ALA 38 HB2 ALA 38 3.620 1.607 -2.524
262 HB3 ALA 38 HB3 ALA 38 3.264 -0.105 -2.207
263 H GLN 39 H GLN 39 5.334 -1.351 -1.794
264 HA GLN 39 HA GLN 39 7.390 -0.173 -3.505
265 HB2 GLN 39 HB2 GLN 39 9.165 -1.657 -2.711
266 HB3 GLN 39 HB3 GLN 39 8.641 -0.573 -1.411
267 HG2 GLN 39 HG2 GLN 39 7.337 -2.346 -0.385
268 HG3 GLN 39 HG3 GLN 39 7.646 -3.432 -1.756
269 HE21 GLN 39 HE21 GLN 39 9.459 -1.459 0.687
270 HE22 GLN 39 HE22 GLN 39 10.731 -2.643 0.909
271 H CYS 40 H CYS 40 8.248 -1.855 -5.022
272 HA CYS 40 HA CYS 40 6.124 -3.822 -5.636
273 HB2 CYS 40 HB2 CYS 40 8.486 -2.825 -7.251
274 HB3 CYS 40 HB3 CYS 40 7.304 -4.013 -7.814
275 H THR 41 H THR 41 6.507 -6.020 -5.777
276 HA THR 41 HA THR 41 9.133 -7.021 -4.776
277 HB THR 41 HB THR 41 7.895 -8.536 -3.261
278 HG1 THR 41 HG1 THR 41 5.673 -8.034 -2.926
279 HG21 THR 41 HG21 THR 41 8.745 -6.309 -2.458
280 HG22 THR 41 HG22 THR 41 7.138 -5.624 -2.785
281 HG23 THR 41 HG23 THR 41 7.332 -6.898 -1.563
282 H GLY 42 H GLY 42 8.805 -9.626 -4.720
283 HA2 GLY 42 HA2 GLY 42 8.041 -11.539 -5.926
284 HA3 GLY 42 HA3 GLY 42 7.532 -10.494 -7.261
285 H PHE 43 H PHE 43 8.829 -12.425 -8.273
286 HA PHE 43 HA PHE 43 11.683 -12.452 -8.066
287 HB2 PHE 43 HB2 PHE 43 10.483 -14.397 -8.806
288 HB3 PHE 43 HB3 PHE 43 9.682 -13.494 -10.093
289 HD1 PHE 43 HD2 PHE 43 13.069 -14.654 -8.972
290 HD2 PHE 43 HD1 PHE 43 10.573 -13.421 -12.254
291 HE1 PHE 43 HE2 PHE 43 14.863 -15.268 -10.574
292 HE2 PHE 43 HE1 PHE 43 12.370 -14.020 -13.849
293 HZ PHE 43 HZ PHE 43 14.516 -14.929 -13.014
294 H LEU 44 H LEU 44 9.497 -10.374 -9.855
295 HA LEU 44 HA LEU 44 11.836 -9.092 -11.099
296 HB2 LEU 44 HB2 LEU 44 10.830 -10.921 -12.614
297 HB3 LEU 44 HB3 LEU 44 9.429 -9.859 -12.782
298 HG LEU 44 HG LEU 44 10.951 -8.091 -13.730
299 HD11 LEU 44 HD11 LEU 44 13.044 -10.300 -13.492
300 HD12 LEU 44 HD12 LEU 44 13.243 -8.801 -14.430
301 HD13 LEU 44 HD13 LEU 44 13.082 -8.728 -12.666
302 HD21 LEU 44 HD21 LEU 44 9.771 -9.684 -15.191
303 HD22 LEU 44 HD22 LEU 44 11.359 -9.255 -15.864
304 HD23 LEU 44 HD23 LEU 44 11.125 -10.826 -15.057
305 H GLY 45 H GLY 45 9.761 -8.471 -8.963
306 HA2 GLY 45 HA2 GLY 45 8.836 -6.488 -8.233
307 HA3 GLY 45 HA3 GLY 45 9.341 -5.717 -9.743
308 H THR 46 H THR 46 7.469 -8.649 -10.020
309 HA THR 46 HA THR 46 5.363 -7.167 -11.366
310 HB THR 46 HB THR 46 4.507 -9.488 -11.874
311 HG1 THR 46 HG1 THR 46 5.906 -11.173 -11.301
312 HG21 THR 46 HG21 THR 46 6.388 -10.052 -13.373
313 HG22 THR 46 HG22 THR 46 6.049 -8.307 -13.396
314 HG23 THR 46 HG23 THR 46 7.443 -8.931 -12.481
315 H THR 47 H THR 47 5.756 -7.531 -8.164
316 HA THR 47 HA THR 47 2.829 -7.890 -7.686
317 HB THR 47 HB THR 47 5.120 -8.871 -5.942
318 HG1 THR 47 HG1 THR 47 4.344 -10.896 -6.574
319 HG21 THR 47 HG21 THR 47 2.096 -9.110 -5.668
320 HG22 THR 47 HG22 THR 47 3.266 -10.047 -4.722
321 HG23 THR 47 HG23 THR 47 3.210 -8.282 -4.548
322 H CYS 48 H CYS 48 2.017 -6.743 -5.794
323 HA CYS 48 HA CYS 48 3.619 -4.303 -5.164
324 HB2 CYS 48 HB2 CYS 48 1.705 -3.726 -6.498
325 HB3 CYS 48 HB3 CYS 48 0.650 -4.752 -5.521
326 H THR 49 H THR 49 3.911 -3.764 -3.049
327 HA THR 49 HA THR 49 2.421 -5.233 -0.940
328 HB THR 49 HB THR 49 5.447 -5.055 -1.228
329 HG1 THR 49 HG1 THR 49 5.185 -7.343 -1.102
330 HG21 THR 49 HG21 THR 49 3.729 -6.078 1.080
331 HG22 THR 49 HG22 THR 49 5.473 -6.375 0.908
332 HG23 THR 49 HG23 THR 49 4.883 -4.719 1.128
333 H CYS 50 H CYS 50 2.216 -4.094 1.001
334 HA CYS 50 HA CYS 50 2.763 -1.197 0.732
335 HB2 CYS 50 HB2 CYS 50 0.923 -2.669 2.641
336 HB3 CYS 50 HB3 CYS 50 1.046 -0.923 2.424
337 H ILE 51 H ILE 51 3.238 -0.003 2.767
338 HA ILE 51 HA ILE 51 5.333 -1.432 4.345
339 HB ILE 51 HB ILE 51 5.042 1.474 3.505
340 HG12 ILE 51 HG12 ILE 51 5.735 0.022 1.646
341 HG13 ILE 51 HG13 ILE 51 7.027 1.117 2.140
342 HG21 ILE 51 HG21 ILE 51 7.178 0.115 5.182
343 HG22 ILE 51 HG22 ILE 51 7.332 1.739 4.461
344 HG23 ILE 51 HG23 ILE 51 6.078 1.430 5.668
345 HD11 ILE 51 HD11 ILE 51 7.876 -1.135 1.680
346 HD12 ILE 51 HD12 ILE 51 8.117 -0.722 3.393
347 HD13 ILE 51 HD13 ILE 51 6.802 -1.826 2.909
348 H ASN 52 H ASN 52 5.445 -1.086 6.578
349 HA ASN 52 HA ASN 52 2.880 -0.569 7.814
350 HB2 ASN 52 HB2 ASN 52 5.643 -1.174 8.931
351 HB3 ASN 52 HB3 ASN 52 4.177 -1.093 9.915
352 HD21 ASN 52 HD21 ASN 52 5.572 -3.389 10.032
353 HD22 ASN 52 HD22 ASN 52 4.742 -4.665 9.165
354 HA PRO 53 HA PRO 53 2.385 -0.059 10.142
355 HB2 PRO 53 HB2 PRO 53 0.604 1.705 11.171
356 HB3 PRO 53 HB3 PRO 53 2.267 1.571 11.822
357 HG2 PRO 53 HG2 PRO 53 1.242 3.560 9.772
358 HG3 PRO 53 HG3 PRO 53 2.139 3.907 11.284
359 HD2 PRO 53 HD2 PRO 53 3.412 3.695 8.876
360 HD3 PRO 53 HD3 PRO 53 4.166 3.067 10.372
361 H CYS 54 H CYS 54 0.086 -0.617 9.947
362 HA CYS 54 HA CYS 54 -1.289 0.482 7.558
363 HB2 CYS 54 HB2 CYS 54 -0.698 -2.411 8.197
364 HB3 CYS 54 HB3 CYS 54 -1.956 -1.923 7.066
365 HA PRO 55 HA PRO 55 -3.923 0.155 11.426
366 HB2 PRO 55 HB2 PRO 55 -5.082 2.634 11.201
367 HB3 PRO 55 HB3 PRO 55 -3.494 2.355 11.991
368 HG2 PRO 55 HG2 PRO 55 -4.000 3.197 9.120
369 HG3 PRO 55 HG3 PRO 55 -2.911 3.975 10.325
370 HD2 PRO 55 HD2 PRO 55 -1.921 2.227 8.539
371 HD3 PRO 55 HD3 PRO 55 -1.391 2.136 10.245
372 H ARG 56 H ARG 56 -6.302 0.216 11.565
373 HA ARG 56 HA ARG 56 -7.452 -0.975 9.193
374 HB2 ARG 56 HB2 ARG 56 -8.678 -0.248 11.878
375 HB3 ARG 56 HB3 ARG 56 -9.467 -1.214 10.613
376 HG2 ARG 56 HG2 ARG 56 -7.594 -2.855 10.722
377 HG3 ARG 56 HG3 ARG 56 -6.874 -1.935 12.056
378 HD2 ARG 56 HD2 ARG 56 -9.649 -3.183 12.061
379 HD3 ARG 56 HD3 ARG 56 -8.211 -3.879 12.832
380 HE ARG 56 HE ARG 56 -8.500 -1.265 13.838
381 HH11 ARG 56 HH11 ARG 56 -10.225 -4.350 13.906
382 HH12 ARG 56 HH12 ARG 56 -10.960 -4.045 15.459
383 HH21 ARG 56 HH21 ARG 56 -9.483 -0.880 15.864
384 HH22 ARG 56 HH22 ARG 56 -10.529 -2.085 16.577
385 H CYS 57 H CYS 57 -9.502 -0.356 8.246
386 HA CYS 57 HA CYS 57 -10.265 2.484 8.419
387 HB2 CYS 57 HB2 CYS 57 -8.528 2.479 6.714
388 HB3 CYS 57 HB3 CYS 57 -9.283 1.109 5.892
Start of MODEL 8
1 HA PCA 1 HA PCA 1 -17.598 -1.595 -0.937
2 HB2 PCA 1 HB2 PCA 1 -14.986 -3.145 -0.929
3 HB3 PCA 1 HB3 PCA 1 -16.241 -3.074 0.358
4 HG2 PCA 1 HG2 PCA 1 -17.709 -4.481 -0.876
5 HG3 PCA 1 HG3 PCA 1 -16.140 -5.145 -1.458
6 H ASN 2 H ASN 2 -16.035 -0.341 0.515
7 HA ASN 2 HA ASN 2 -14.723 1.702 -1.085
8 HB2 ASN 2 HB2 ASN 2 -14.454 2.859 1.048
9 HB3 ASN 2 HB3 ASN 2 -16.111 2.270 0.879
10 HD21 ASN 2 HD21 ASN 2 -12.948 1.624 2.427
11 HD22 ASN 2 HD22 ASN 2 -13.595 0.691 3.764
12 H CYS 3 H CYS 3 -13.700 -1.250 -0.503
13 HA CYS 3 HA CYS 3 -10.865 -0.481 -0.476
14 HB2 CYS 3 HB2 CYS 3 -10.414 -2.214 1.306
15 HB3 CYS 3 HB3 CYS 3 -11.140 -0.699 1.850
16 HA PRO 4 HA PRO 4 -11.835 -3.952 -3.350
17 HB2 PRO 4 HB2 PRO 4 -10.418 -3.038 -5.477
18 HB3 PRO 4 HB3 PRO 4 -12.033 -2.380 -5.061
19 HG2 PRO 4 HG2 PRO 4 -9.314 -1.259 -4.317
20 HG3 PRO 4 HG3 PRO 4 -10.700 -0.388 -5.070
21 HD2 PRO 4 HD2 PRO 4 -10.235 -0.313 -2.385
22 HD3 PRO 4 HD3 PRO 4 -11.907 -0.375 -3.042
23 H THR 5 H THR 5 -10.166 -5.303 -4.661
24 HA THR 5 HA THR 5 -7.642 -5.532 -3.066
25 HB THR 5 HB THR 5 -9.166 -7.763 -4.456
26 HG1 THR 5 HG1 THR 5 -9.864 -8.297 -2.390
27 HG21 THR 5 HG21 THR 5 -6.755 -8.189 -4.104
28 HG22 THR 5 HG22 THR 5 -6.922 -7.739 -2.392
29 HG23 THR 5 HG23 THR 5 -7.731 -9.193 -3.016
30 H ARG 6 H ARG 6 -5.880 -5.046 -4.251
31 HA ARG 6 HA ARG 6 -5.682 -6.007 -7.046
32 HB2 ARG 6 HB2 ARG 6 -5.180 -3.146 -6.122
33 HB3 ARG 6 HB3 ARG 6 -4.707 -3.782 -7.698
34 HG2 ARG 6 HG2 ARG 6 -7.583 -3.625 -6.697
35 HG3 ARG 6 HG3 ARG 6 -6.797 -2.445 -7.753
36 HD2 ARG 6 HD2 ARG 6 -6.329 -4.282 -9.401
37 HD3 ARG 6 HD3 ARG 6 -7.280 -5.385 -8.404
38 HE ARG 6 HE ARG 6 -8.266 -3.149 -10.060
39 HH11 ARG 6 HH11 ARG 6 -9.055 -5.598 -7.634
40 HH12 ARG 6 HH12 ARG 6 -10.770 -5.533 -7.959
41 HH21 ARG 6 HH21 ARG 6 -10.504 -3.075 -10.450
42 HH22 ARG 6 HH22 ARG 6 -11.583 -4.113 -9.547
43 H ARG 7 H ARG 7 -3.662 -6.783 -7.472
44 HA ARG 7 HA ARG 7 -1.426 -6.072 -5.612
45 HB2 ARG 7 HB2 ARG 7 -2.214 -8.823 -6.652
46 HB3 ARG 7 HB3 ARG 7 -0.700 -8.479 -5.822
47 HG2 ARG 7 HG2 ARG 7 -3.437 -8.092 -4.548
48 HG3 ARG 7 HG3 ARG 7 -2.466 -9.562 -4.431
49 HD2 ARG 7 HD2 ARG 7 -1.953 -8.442 -2.463
50 HD3 ARG 7 HD3 ARG 7 -0.570 -8.088 -3.512
51 HE ARG 7 HE ARG 7 -2.434 -6.005 -3.871
52 HH11 ARG 7 HH11 ARG 7 -0.471 -7.299 -1.243
53 HH12 ARG 7 HH12 ARG 7 -0.428 -5.784 -0.370
54 HH21 ARG 7 HH21 ARG 7 -2.364 -4.062 -2.753
55 HH22 ARG 7 HH22 ARG 7 -1.467 -3.924 -1.259
56 H GLY 8 H GLY 8 -2.596 -6.464 -8.828
57 HA2 GLY 8 HA2 GLY 8 0.031 -6.948 -10.033
58 HA3 GLY 8 HA3 GLY 8 -1.525 -6.777 -10.865
59 H LEU 9 H LEU 9 -0.955 -4.273 -8.572
60 HA LEU 9 HA LEU 9 -1.169 -2.246 -10.528
61 HB2 LEU 9 HB2 LEU 9 -0.117 -2.170 -7.673
62 HB3 LEU 9 HB3 LEU 9 -0.598 -0.747 -8.609
63 HG LEU 9 HG LEU 9 -2.466 -3.074 -7.957
64 HD11 LEU 9 HD11 LEU 9 -2.172 -0.344 -6.661
65 HD12 LEU 9 HD12 LEU 9 -3.460 -1.526 -6.314
66 HD13 LEU 9 HD13 LEU 9 -1.773 -1.913 -5.912
67 HD21 LEU 9 HD21 LEU 9 -3.120 -1.776 -9.966
68 HD22 LEU 9 HD22 LEU 9 -4.223 -1.451 -8.608
69 HD23 LEU 9 HD23 LEU 9 -2.972 -0.269 -9.042
70 H CYS 10 H CYS 10 1.686 -3.912 -9.313
71 HA CYS 10 HA CYS 10 3.528 -1.853 -10.227
72 HB2 CYS 10 HB2 CYS 10 3.891 -4.688 -9.236
73 HB3 CYS 10 HB3 CYS 10 5.232 -3.643 -9.715
74 H VAL 11 H VAL 11 1.559 -3.797 -11.992
75 HA VAL 11 HA VAL 11 3.559 -4.025 -14.199
76 HB VAL 11 HB VAL 11 1.272 -5.934 -13.565
77 HG11 VAL 11 HG11 VAL 11 3.491 -6.043 -15.651
78 HG12 VAL 11 HG12 VAL 11 2.322 -7.338 -15.324
79 HG13 VAL 11 HG13 VAL 11 1.758 -5.792 -15.982
80 HG21 VAL 11 HG21 VAL 11 3.111 -6.172 -11.942
81 HG22 VAL 11 HG22 VAL 11 3.079 -7.551 -13.060
82 HG23 VAL 11 HG23 VAL 11 4.288 -6.265 -13.271
83 H THR 12 H THR 12 0.318 -3.087 -13.119
84 HA THR 12 HA THR 12 -0.565 -2.602 -15.884
85 HB THR 12 HB THR 12 -2.681 -1.900 -14.777
86 HG1 THR 12 HG1 THR 12 -2.818 -2.241 -12.549
87 HG21 THR 12 HG21 THR 12 -3.296 -4.130 -13.943
88 HG22 THR 12 HG22 THR 12 -2.303 -4.265 -15.414
89 HG23 THR 12 HG23 THR 12 -1.582 -4.578 -13.811
90 H SER 13 H SER 13 1.065 -0.872 -13.396
91 HA SER 13 HA SER 13 0.983 1.554 -15.059
92 HB2 SER 13 HB2 SER 13 -1.007 1.676 -13.494
93 HB3 SER 13 HB3 SER 13 0.131 1.610 -12.136
94 HG SER 13 HG SER 13 -0.437 3.764 -12.749
95 H GLY 14 H GLY 14 2.045 -0.078 -12.085
96 HA2 GLY 14 HA2 GLY 14 4.519 -0.339 -11.851
97 HA3 GLY 14 HA3 GLY 14 4.652 1.385 -12.235
98 H LEU 15 H LEU 15 5.846 1.406 -10.154
99 HA LEU 15 HA LEU 15 4.682 0.755 -7.663
100 HB2 LEU 15 HB2 LEU 15 7.075 1.100 -8.002
101 HB3 LEU 15 HB3 LEU 15 6.802 2.784 -8.473
102 HG LEU 15 HG LEU 15 5.991 3.330 -6.230
103 HD11 LEU 15 HD11 LEU 15 6.251 1.676 -4.384
104 HD12 LEU 15 HD12 LEU 15 5.037 1.141 -5.554
105 HD13 LEU 15 HD13 LEU 15 6.668 0.426 -5.579
106 HD21 LEU 15 HD21 LEU 15 8.393 3.515 -6.752
107 HD22 LEU 15 HD22 LEU 15 8.133 3.079 -5.047
108 HD23 LEU 15 HD23 LEU 15 8.640 1.835 -6.212
109 H THR 16 H THR 16 4.232 3.598 -9.729
110 HA THR 16 HA THR 16 3.364 5.413 -7.719
111 HB THR 16 HB THR 16 2.441 5.276 -10.616
112 HG1 THR 16 HG1 THR 16 4.264 6.570 -10.986
113 HG21 THR 16 HG21 THR 16 2.314 7.748 -10.362
114 HG22 THR 16 HG22 THR 16 1.219 6.909 -9.250
115 HG23 THR 16 HG23 THR 16 2.748 7.586 -8.648
116 H ALA 17 H ALA 17 1.525 2.927 -9.603
117 HA ALA 17 HA ALA 17 -0.987 3.802 -8.408
118 HB1 ALA 17 HB1 ALA 17 -0.243 1.316 -9.993
119 HB2 ALA 17 HB2 ALA 17 -1.895 1.826 -9.563
120 HB3 ALA 17 HB3 ALA 17 -0.920 2.838 -10.647
121 H CYS 18 H CYS 18 1.528 1.398 -7.713
122 HA CYS 18 HA CYS 18 -0.001 -0.100 -5.792
123 HB2 CYS 18 HB2 CYS 18 2.001 -0.978 -6.890
124 HB3 CYS 18 HB3 CYS 18 2.977 0.330 -6.209
125 H ARG 19 H ARG 19 1.927 2.885 -5.651
126 HA ARG 19 HA ARG 19 1.858 2.990 -2.740
127 HB2 ARG 19 HB2 ARG 19 3.633 3.973 -4.255
128 HB3 ARG 19 HB3 ARG 19 2.467 5.228 -4.716
129 HG2 ARG 19 HG2 ARG 19 2.248 5.915 -2.355
130 HG3 ARG 19 HG3 ARG 19 3.354 4.607 -1.862
131 HD2 ARG 19 HD2 ARG 19 5.137 5.634 -3.261
132 HD3 ARG 19 HD3 ARG 19 4.044 6.967 -3.662
133 HE ARG 19 HE ARG 19 5.304 6.396 -1.032
134 HH11 ARG 19 HH11 ARG 19 3.177 8.467 -2.961
135 HH12 ARG 19 HH12 ARG 19 3.197 9.772 -1.795
136 HH21 ARG 19 HH21 ARG 19 5.316 8.115 0.457
137 HH22 ARG 19 HH22 ARG 19 4.404 9.572 0.129
138 H ASN 20 H ASN 20 -0.015 4.356 -5.437
139 HA ASN 20 HA ASN 20 -1.637 6.068 -3.771
140 HB2 ASN 20 HB2 ASN 20 -2.054 4.902 -6.560
141 HB3 ASN 20 HB3 ASN 20 -3.112 6.114 -5.819
142 HD21 ASN 20 HD21 ASN 20 -2.019 6.767 -8.193
143 HD22 ASN 20 HD22 ASN 20 -0.726 7.938 -7.984
144 H HIS 21 H HIS 21 -1.600 2.643 -4.342
145 HA HIS 21 HA HIS 21 -4.403 2.258 -3.516
146 HB2 HIS 21 HB2 HIS 21 -3.405 0.916 -5.294
147 HB3 HIS 21 HB3 HIS 21 -2.133 0.360 -4.199
148 HD1 HIS 21 HD1 HIS 21 -5.964 -0.042 -4.638
149 HD2 HIS 21 HD2 HIS 21 -2.633 -1.747 -2.723
150 HE1 HIS 21 HE1 HIS 21 -6.749 -2.248 -3.627
151 H CYS 22 H CYS 22 -1.108 2.019 -2.187
152 HA CYS 22 HA CYS 22 -2.039 0.793 0.301
153 HB2 CYS 22 HB2 CYS 22 0.584 2.038 -0.544
154 HB3 CYS 22 HB3 CYS 22 0.320 1.267 1.020
155 H ARG 23 H ARG 23 -1.722 4.033 -0.988
156 HA ARG 23 HA ARG 23 -1.862 5.311 1.656
157 HB2 ARG 23 HB2 ARG 23 -1.811 6.318 -1.206
158 HB3 ARG 23 HB3 ARG 23 -2.025 7.411 0.171
159 HG2 ARG 23 HG2 ARG 23 0.325 5.515 0.179
160 HG3 ARG 23 HG3 ARG 23 0.365 6.958 -0.842
161 HD2 ARG 23 HD2 ARG 23 1.391 7.435 1.323
162 HD3 ARG 23 HD3 ARG 23 -0.073 8.396 1.071
163 HE ARG 23 HE ARG 23 -0.311 5.878 2.628
164 HH11 ARG 23 HH11 ARG 23 -0.184 9.418 2.626
165 HH12 ARG 23 HH12 ARG 23 -0.903 9.551 4.216
166 HH21 ARG 23 HH21 ARG 23 -1.214 6.092 4.685
167 HH22 ARG 23 HH22 ARG 23 -1.472 7.673 5.390
168 H SER 24 H SER 24 -4.042 3.635 -0.074
169 HA SER 24 HA SER 24 -6.301 5.203 1.061
170 HB2 SER 24 HB2 SER 24 -7.659 4.613 -0.882
171 HB3 SER 24 HB3 SER 24 -6.230 5.544 -1.387
172 HG SER 24 HG SER 24 -6.571 3.707 -2.695
173 H CYS 25 H CYS 25 -8.297 3.675 1.224
174 HA CYS 25 HA CYS 25 -7.355 1.414 2.770
175 HB2 CYS 25 HB2 CYS 25 -10.192 2.199 2.054
176 HB3 CYS 25 HB3 CYS 25 -9.675 1.080 3.319
177 H HIS 26 H HIS 26 -7.315 -0.703 2.281
178 HA HIS 26 HA HIS 26 -8.519 -1.698 -0.232
179 HB2 HIS 26 HB2 HIS 26 -6.295 -2.736 -0.800
180 HB3 HIS 26 HB3 HIS 26 -6.341 -0.971 -0.947
181 HD1 HIS 26 HD1 HIS 26 -4.623 0.373 0.483
182 HD2 HIS 26 HD2 HIS 26 -5.040 -3.684 1.543
183 HE1 HIS 26 HE1 HIS 26 -2.818 -0.109 2.248
184 HE2 HIS 26 HE2 HIS 26 -3.085 -2.586 2.883
185 H ARG 27 H ARG 27 -8.131 -4.161 -0.346
186 HA ARG 27 HA ARG 27 -9.079 -5.247 2.147
187 HB2 ARG 27 HB2 ARG 27 -9.817 -5.981 -0.140
188 HB3 ARG 27 HB3 ARG 27 -8.208 -6.662 -0.399
189 HG2 ARG 27 HG2 ARG 27 -9.816 -8.396 0.262
190 HG3 ARG 27 HG3 ARG 27 -8.543 -8.220 1.479
191 HD2 ARG 27 HD2 ARG 27 -10.087 -6.814 2.854
192 HD3 ARG 27 HD3 ARG 27 -11.347 -7.040 1.625
193 HE ARG 27 HE ARG 27 -10.336 -9.579 2.508
194 HH11 ARG 27 HH11 ARG 27 -12.403 -6.904 3.551
195 HH12 ARG 27 HH12 ARG 27 -13.353 -7.908 4.621
196 HH21 ARG 27 HH21 ARG 27 -11.595 -10.861 3.906
197 HH22 ARG 27 HH22 ARG 27 -12.895 -10.140 4.820
198 H GLY 28 H GLY 28 -8.077 -6.505 3.644
199 HA2 GLY 28 HA2 GLY 28 -5.154 -7.046 3.331
200 HA3 GLY 28 HA3 GLY 28 -5.950 -6.656 4.862
201 H ASP 29 H ASP 29 -4.855 -8.750 5.501
202 HA ASP 29 HA ASP 29 -5.923 -11.203 4.322
203 HB2 ASP 29 HB2 ASP 29 -4.009 -10.680 6.624
204 HB3 ASP 29 HB3 ASP 29 -4.398 -12.275 5.978
205 H VAL 30 H VAL 30 -6.923 -9.112 6.873
206 HA VAL 30 HA VAL 30 -8.755 -11.243 7.838
207 HB VAL 30 HB VAL 30 -6.799 -11.039 9.353
208 HG11 VAL 30 HG11 VAL 30 -6.316 -8.635 9.037
209 HG12 VAL 30 HG12 VAL 30 -7.832 -8.217 9.862
210 HG13 VAL 30 HG13 VAL 30 -6.537 -9.037 10.751
211 HG21 VAL 30 HG21 VAL 30 -9.031 -11.728 10.194
212 HG22 VAL 30 HG22 VAL 30 -8.037 -10.913 11.422
213 HG23 VAL 30 HG23 VAL 30 -9.363 -10.029 10.635
214 H GLY 31 H GLY 31 -8.305 -8.086 6.648
215 HA2 GLY 31 HA2 GLY 31 -11.009 -7.403 6.525
216 HA3 GLY 31 HA3 GLY 31 -10.373 -6.647 8.001
217 H CYS 32 H CYS 32 -11.141 -4.776 6.305
218 HA CYS 32 HA CYS 32 -9.051 -4.180 4.360
219 HB2 CYS 32 HB2 CYS 32 -11.534 -2.681 5.220
220 HB3 CYS 32 HB3 CYS 32 -10.374 -2.086 4.030
221 H VAL 33 H VAL 33 -7.558 -2.562 4.401
222 HA VAL 33 HA VAL 33 -7.134 -1.040 6.896
223 HB VAL 33 HB VAL 33 -4.818 -1.813 7.083
224 HG11 VAL 33 HG11 VAL 33 -5.182 -4.066 7.915
225 HG12 VAL 33 HG12 VAL 33 -6.588 -3.059 8.331
226 HG13 VAL 33 HG13 VAL 33 -6.687 -4.221 6.988
227 HG21 VAL 33 HG21 VAL 33 -5.518 -3.755 4.837
228 HG22 VAL 33 HG22 VAL 33 -4.388 -2.380 4.726
229 HG23 VAL 33 HG23 VAL 33 -4.013 -3.751 5.785
230 H ARG 34 H ARG 34 -5.227 0.454 6.648
231 HA ARG 34 HA ARG 34 -4.587 1.198 3.851
232 HB2 ARG 34 HB2 ARG 34 -4.908 3.580 4.427
233 HB3 ARG 34 HB3 ARG 34 -6.423 2.665 4.520
234 HG2 ARG 34 HG2 ARG 34 -6.157 2.494 6.991
235 HG3 ARG 34 HG3 ARG 34 -4.664 3.452 6.884
236 HD2 ARG 34 HD2 ARG 34 -5.928 5.338 5.930
237 HD3 ARG 34 HD3 ARG 34 -7.417 4.368 5.963
238 HE ARG 34 HE ARG 34 -6.319 4.432 8.586
239 HH11 ARG 34 HH11 ARG 34 -7.881 6.581 6.254
240 HH12 ARG 34 HH12 ARG 34 -8.560 7.617 7.493
241 HH21 ARG 34 HH21 ARG 34 -7.203 5.795 10.167
242 HH22 ARG 34 HH22 ARG 34 -8.171 7.174 9.699
243 H CYS 35 H CYS 35 -2.492 2.358 3.724
244 HA CYS 35 HA CYS 35 -0.818 1.868 6.148
245 HB2 CYS 35 HB2 CYS 35 -0.143 1.165 3.289
246 HB3 CYS 35 HB3 CYS 35 0.879 0.900 4.692
247 H SER 36 H SER 36 1.596 2.625 5.337
248 HA SER 36 HA SER 36 1.231 5.541 5.090
249 HB2 SER 36 HB2 SER 36 3.483 5.578 6.089
250 HB3 SER 36 HB3 SER 36 2.362 4.574 7.047
251 HG SER 36 HG SER 36 4.351 3.531 6.716
252 H ASN 37 H ASN 37 2.983 2.841 3.526
253 HA ASN 37 HA ASN 37 3.538 4.521 1.185
254 HB2 ASN 37 HB2 ASN 37 5.376 4.924 2.930
255 HB3 ASN 37 HB3 ASN 37 5.838 3.236 2.722
256 HD21 ASN 37 HD21 ASN 37 7.928 4.369 2.141
257 HD22 ASN 37 HD22 ASN 37 8.149 4.830 0.468
258 H ALA 38 H ALA 38 5.193 2.910 -0.269
259 HA ALA 38 HA ALA 38 4.293 0.122 -0.041
260 HB1 ALA 38 HB1 ALA 38 3.643 1.828 -2.478
261 HB2 ALA 38 HB2 ALA 38 3.232 0.115 -2.231
262 HB3 ALA 38 HB3 ALA 38 2.460 1.363 -1.230
263 H GLN 39 H GLN 39 5.202 -1.251 -1.743
264 HA GLN 39 HA GLN 39 7.321 -0.186 -3.448
265 HB2 GLN 39 HB2 GLN 39 9.040 -1.714 -2.622
266 HB3 GLN 39 HB3 GLN 39 8.559 -0.581 -1.352
267 HG2 GLN 39 HG2 GLN 39 7.187 -2.288 -0.284
268 HG3 GLN 39 HG3 GLN 39 7.460 -3.414 -1.627
269 HE21 GLN 39 HE21 GLN 39 9.389 -1.450 0.734
270 HE22 GLN 39 HE22 GLN 39 10.594 -2.692 1.002
271 H CYS 40 H CYS 40 8.161 -1.960 -4.898
272 HA CYS 40 HA CYS 40 5.979 -3.906 -5.446
273 HB2 CYS 40 HB2 CYS 40 8.243 -2.867 -7.168
274 HB3 CYS 40 HB3 CYS 40 7.095 -4.118 -7.664
275 H THR 41 H THR 41 6.361 -6.089 -5.641
276 HA THR 41 HA THR 41 8.994 -7.119 -4.714
277 HB THR 41 HB THR 41 7.805 -8.619 -3.157
278 HG1 THR 41 HG1 THR 41 5.619 -8.161 -2.728
279 HG21 THR 41 HG21 THR 41 7.273 -6.976 -1.438
280 HG22 THR 41 HG22 THR 41 8.692 -6.429 -2.350
281 HG23 THR 41 HG23 THR 41 7.099 -5.694 -2.661
282 H GLY 42 H GLY 42 8.695 -9.699 -4.659
283 HA2 GLY 42 HA2 GLY 42 7.804 -11.613 -5.797
284 HA3 GLY 42 HA3 GLY 42 7.303 -10.578 -7.139
285 H PHE 43 H PHE 43 8.512 -12.546 -8.155
286 HA PHE 43 HA PHE 43 11.359 -12.700 -8.018
287 HB2 PHE 43 HB2 PHE 43 10.044 -14.580 -8.753
288 HB3 PHE 43 HB3 PHE 43 9.267 -13.625 -10.015
289 HD1 PHE 43 HD2 PHE 43 12.643 -14.908 -8.984
290 HD2 PHE 43 HD1 PHE 43 10.080 -13.616 -12.186
291 HE1 PHE 43 HE2 PHE 43 14.372 -15.568 -10.637
292 HE2 PHE 43 HE1 PHE 43 11.814 -14.270 -13.838
293 HZ PHE 43 HZ PHE 43 13.960 -15.237 -13.068
294 H LEU 44 H LEU 44 9.223 -10.534 -9.767
295 HA LEU 44 HA LEU 44 11.588 -9.321 -11.030
296 HB2 LEU 44 HB2 LEU 44 10.471 -11.083 -12.538
297 HB3 LEU 44 HB3 LEU 44 9.104 -9.976 -12.656
298 HG LEU 44 HG LEU 44 10.650 -8.243 -13.635
299 HD11 LEU 44 HD11 LEU 44 12.676 -10.517 -13.489
300 HD12 LEU 44 HD12 LEU 44 12.898 -9.007 -14.401
301 HD13 LEU 44 HD13 LEU 44 12.785 -8.959 -12.632
302 HD21 LEU 44 HD21 LEU 44 10.956 -9.388 -15.786
303 HD22 LEU 44 HD22 LEU 44 10.723 -10.964 -14.994
304 HD23 LEU 44 HD23 LEU 44 9.379 -9.802 -15.073
305 H GLY 45 H GLY 45 9.521 -8.691 -8.846
306 HA2 GLY 45 HA2 GLY 45 8.691 -6.692 -8.052
307 HA3 GLY 45 HA3 GLY 45 9.240 -5.891 -9.533
308 H THR 46 H THR 46 7.222 -8.716 -9.927
309 HA THR 46 HA THR 46 5.234 -7.057 -11.260
310 HB THR 46 HB THR 46 4.279 -9.318 -11.887
311 HG1 THR 46 HG1 THR 46 5.594 -11.088 -11.387
312 HG21 THR 46 HG21 THR 46 6.143 -9.869 -13.402
313 HG22 THR 46 HG22 THR 46 5.863 -8.118 -13.342
314 HG23 THR 46 HG23 THR 46 7.232 -8.820 -12.458
315 H THR 47 H THR 47 5.524 -7.553 -8.075
316 HA THR 47 HA THR 47 2.571 -7.781 -7.693
317 HB THR 47 HB THR 47 4.753 -8.928 -5.910
318 HG1 THR 47 HG1 THR 47 3.900 -10.887 -6.621
319 HG21 THR 47 HG21 THR 47 2.809 -10.006 -4.750
320 HG22 THR 47 HG22 THR 47 2.823 -8.246 -4.577
321 HG23 THR 47 HG23 THR 47 1.713 -9.009 -5.741
322 H CYS 48 H CYS 48 1.697 -6.537 -5.975
323 HA CYS 48 HA CYS 48 3.384 -4.214 -5.190
324 HB2 CYS 48 HB2 CYS 48 1.426 -3.643 -6.472
325 HB3 CYS 48 HB3 CYS 48 0.401 -4.646 -5.441
326 H THR 49 H THR 49 3.686 -3.671 -3.078
327 HA THR 49 HA THR 49 2.239 -5.150 -0.954
328 HB THR 49 HB THR 49 5.267 -4.959 -1.208
329 HG1 THR 49 HG1 THR 49 4.308 -6.608 -2.433
330 HG21 THR 49 HG21 THR 49 4.654 -4.733 1.142
331 HG22 THR 49 HG22 THR 49 3.501 -6.085 1.004
332 HG23 THR 49 HG23 THR 49 5.249 -6.379 0.867
333 H CYS 50 H CYS 50 2.102 -4.013 1.016
334 HA CYS 50 HA CYS 50 2.715 -1.115 0.739
335 HB2 CYS 50 HB2 CYS 50 0.798 -2.522 2.620
336 HB3 CYS 50 HB3 CYS 50 1.003 -0.784 2.428
337 H ILE 51 H ILE 51 3.264 0.059 2.745
338 HA ILE 51 HA ILE 51 5.292 -1.471 4.311
339 HB ILE 51 HB ILE 51 5.058 1.477 3.623
340 HG12 ILE 51 HG12 ILE 51 5.665 0.127 1.670
341 HG13 ILE 51 HG13 ILE 51 7.011 1.135 2.201
342 HG21 ILE 51 HG21 ILE 51 7.182 -0.044 5.165
343 HG22 ILE 51 HG22 ILE 51 7.393 1.607 4.524
344 HG23 ILE 51 HG23 ILE 51 6.151 1.294 5.741
345 HD11 ILE 51 HD11 ILE 51 7.783 -1.100 1.584
346 HD12 ILE 51 HD12 ILE 51 8.046 -0.829 3.318
347 HD13 ILE 51 HD13 ILE 51 6.685 -1.843 2.768
348 H ASN 52 H ASN 52 5.445 -1.158 6.556
349 HA ASN 52 HA ASN 52 2.907 -0.672 7.846
350 HB2 ASN 52 HB2 ASN 52 4.133 -1.331 9.885
351 HB3 ASN 52 HB3 ASN 52 4.454 -2.453 8.553
352 HD21 ASN 52 HD21 ASN 52 5.824 -0.003 10.680
353 HD22 ASN 52 HD22 ASN 52 7.487 -0.219 10.170
354 HA PRO 53 HA PRO 53 2.383 -0.186 10.161
355 HB2 PRO 53 HB2 PRO 53 0.607 1.571 11.203
356 HB3 PRO 53 HB3 PRO 53 2.258 1.408 11.873
357 HG2 PRO 53 HG2 PRO 53 1.279 3.449 9.843
358 HG3 PRO 53 HG3 PRO 53 2.171 3.755 11.376
359 HD2 PRO 53 HD2 PRO 53 3.447 3.581 8.972
360 HD3 PRO 53 HD3 PRO 53 4.187 2.919 10.460
361 H CYS 54 H CYS 54 0.110 -0.745 9.935
362 HA CYS 54 HA CYS 54 -1.269 0.408 7.577
363 HB2 CYS 54 HB2 CYS 54 -0.620 -2.495 8.123
364 HB3 CYS 54 HB3 CYS 54 -1.921 -2.014 7.046
365 HA PRO 55 HA PRO 55 -3.954 -0.069 11.399
366 HB2 PRO 55 HB2 PRO 55 -5.160 2.406 11.201
367 HB3 PRO 55 HB3 PRO 55 -3.604 2.125 12.045
368 HG2 PRO 55 HG2 PRO 55 -4.015 3.051 9.185
369 HG3 PRO 55 HG3 PRO 55 -2.970 3.790 10.444
370 HD2 PRO 55 HD2 PRO 55 -1.923 2.108 8.623
371 HD3 PRO 55 HD3 PRO 55 -1.429 1.968 10.339
372 H ARG 56 H ARG 56 -6.338 -0.120 11.470
373 HA ARG 56 HA ARG 56 -7.344 -1.227 8.986
374 HB2 ARG 56 HB2 ARG 56 -8.658 -0.844 11.697
375 HB3 ARG 56 HB3 ARG 56 -9.341 -1.757 10.335
376 HG2 ARG 56 HG2 ARG 56 -7.328 -3.247 10.359
377 HG3 ARG 56 HG3 ARG 56 -6.730 -2.379 11.791
378 HD2 ARG 56 HD2 ARG 56 -8.816 -2.996 12.999
379 HD3 ARG 56 HD3 ARG 56 -9.366 -3.888 11.564
380 HE ARG 56 HE ARG 56 -6.793 -4.842 12.260
381 HH11 ARG 56 HH11 ARG 56 -10.091 -4.839 13.526
382 HH12 ARG 56 HH12 ARG 56 -9.898 -6.358 14.373
383 HH21 ARG 56 HH21 ARG 56 -6.567 -6.828 13.363
384 HH22 ARG 56 HH22 ARG 56 -7.907 -7.486 14.271
385 H CYS 57 H CYS 57 -9.440 -0.715 8.078
386 HA CYS 57 HA CYS 57 -10.365 2.077 8.377
387 HB2 CYS 57 HB2 CYS 57 -8.618 2.194 6.683
388 HB3 CYS 57 HB3 CYS 57 -9.333 0.835 5.809
Start of MODEL 9
1 HA PCA 1 HA PCA 1 -16.384 4.433 0.061
2 HB2 PCA 1 HB2 PCA 1 -14.993 3.314 2.131
3 HB3 PCA 1 HB3 PCA 1 -15.672 4.981 2.221
4 HG2 PCA 1 HG2 PCA 1 -16.766 4.067 4.102
5 HG3 PCA 1 HG3 PCA 1 -16.822 2.427 3.368
6 H ASN 2 H ASN 2 -14.643 2.733 -0.377
7 HA ASN 2 HA ASN 2 -15.617 -0.054 -0.355
8 HB2 ASN 2 HB2 ASN 2 -16.374 1.018 -2.487
9 HB3 ASN 2 HB3 ASN 2 -14.705 1.468 -2.834
10 HD21 ASN 2 HD21 ASN 2 -14.869 0.282 -4.795
11 HD22 ASN 2 HD22 ASN 2 -14.763 -1.469 -4.817
12 H CYS 3 H CYS 3 -13.894 -1.585 -0.676
13 HA CYS 3 HA CYS 3 -11.134 -0.563 -0.706
14 HB2 CYS 3 HB2 CYS 3 -10.601 -1.909 1.339
15 HB3 CYS 3 HB3 CYS 3 -11.526 -0.436 1.601
16 HA PRO 4 HA PRO 4 -11.808 -4.454 -3.073
17 HB2 PRO 4 HB2 PRO 4 -10.567 -3.698 -5.373
18 HB3 PRO 4 HB3 PRO 4 -12.214 -3.121 -4.950
19 HG2 PRO 4 HG2 PRO 4 -9.569 -1.704 -4.496
20 HG3 PRO 4 HG3 PRO 4 -11.046 -1.054 -5.282
21 HD2 PRO 4 HD2 PRO 4 -10.492 -0.616 -2.643
22 HD3 PRO 4 HD3 PRO 4 -12.172 -0.865 -3.215
23 H THR 5 H THR 5 -10.061 -5.805 -4.291
24 HA THR 5 HA THR 5 -7.496 -5.650 -2.760
25 HB THR 5 HB THR 5 -8.755 -8.094 -4.054
26 HG1 THR 5 HG1 THR 5 -10.061 -7.359 -2.383
27 HG21 THR 5 HG21 THR 5 -7.181 -9.283 -2.548
28 HG22 THR 5 HG22 THR 5 -6.323 -8.233 -3.691
29 HG23 THR 5 HG23 THR 5 -6.534 -7.714 -2.001
30 H ARG 6 H ARG 6 -5.763 -5.076 -3.967
31 HA ARG 6 HA ARG 6 -5.521 -6.076 -6.752
32 HB2 ARG 6 HB2 ARG 6 -5.074 -3.215 -5.800
33 HB3 ARG 6 HB3 ARG 6 -4.574 -3.828 -7.381
34 HG2 ARG 6 HG2 ARG 6 -7.482 -3.830 -6.479
35 HG3 ARG 6 HG3 ARG 6 -6.707 -2.464 -7.287
36 HD2 ARG 6 HD2 ARG 6 -7.791 -3.682 -8.994
37 HD3 ARG 6 HD3 ARG 6 -6.059 -3.995 -9.169
38 HE ARG 6 HE ARG 6 -7.493 -5.984 -7.570
39 HH11 ARG 6 HH11 ARG 6 -6.532 -5.050 -10.843
40 HH12 ARG 6 HH12 ARG 6 -6.620 -6.682 -11.458
41 HH21 ARG 6 HH21 ARG 6 -7.629 -8.094 -8.406
42 HH22 ARG 6 HH22 ARG 6 -7.260 -8.396 -10.087
43 H ARG 7 H ARG 7 -3.486 -6.766 -7.216
44 HA ARG 7 HA ARG 7 -1.245 -6.004 -5.410
45 HB2 ARG 7 HB2 ARG 7 -1.978 -8.838 -6.261
46 HB3 ARG 7 HB3 ARG 7 -0.508 -8.386 -5.397
47 HG2 ARG 7 HG2 ARG 7 -3.346 -8.066 -4.338
48 HG3 ARG 7 HG3 ARG 7 -2.223 -9.360 -3.915
49 HD2 ARG 7 HD2 ARG 7 -1.823 -6.388 -3.346
50 HD3 ARG 7 HD3 ARG 7 -2.277 -7.623 -2.168
51 HE ARG 7 HE ARG 7 0.376 -7.060 -3.226
52 HH11 ARG 7 HH11 ARG 7 -1.633 -9.579 -1.754
53 HH12 ARG 7 HH12 ARG 7 -0.251 -10.458 -1.133
54 HH21 ARG 7 HH21 ARG 7 2.116 -8.185 -2.371
55 HH22 ARG 7 HH22 ARG 7 1.871 -9.666 -1.471
56 H GLY 8 H GLY 8 -2.471 -6.483 -8.580
57 HA2 GLY 8 HA2 GLY 8 0.134 -7.068 -9.802
58 HA3 GLY 8 HA3 GLY 8 -1.440 -6.943 -10.612
59 H LEU 9 H LEU 9 -0.869 -4.331 -8.459
60 HA LEU 9 HA LEU 9 -1.133 -2.410 -10.514
61 HB2 LEU 9 HB2 LEU 9 -0.054 -2.159 -7.682
62 HB3 LEU 9 HB3 LEU 9 -0.568 -0.799 -8.692
63 HG LEU 9 HG LEU 9 -2.395 -3.106 -7.885
64 HD11 LEU 9 HD11 LEU 9 -3.374 -1.488 -6.296
65 HD12 LEU 9 HD12 LEU 9 -1.672 -1.815 -5.918
66 HD13 LEU 9 HD13 LEU 9 -2.119 -0.303 -6.732
67 HD21 LEU 9 HD21 LEU 9 -2.940 -0.371 -9.117
68 HD22 LEU 9 HD22 LEU 9 -3.091 -1.938 -9.948
69 HD23 LEU 9 HD23 LEU 9 -4.178 -1.537 -8.604
70 H CYS 10 H CYS 10 1.760 -3.980 -9.272
71 HA CYS 10 HA CYS 10 3.575 -1.920 -10.229
72 HB2 CYS 10 HB2 CYS 10 3.950 -4.757 -9.237
73 HB3 CYS 10 HB3 CYS 10 5.287 -3.715 -9.726
74 H VAL 11 H VAL 11 1.627 -3.934 -11.978
75 HA VAL 11 HA VAL 11 3.618 -4.077 -14.196
76 HB VAL 11 HB VAL 11 1.488 -6.137 -13.505
77 HG11 VAL 11 HG11 VAL 11 3.684 -6.118 -15.627
78 HG12 VAL 11 HG12 VAL 11 2.638 -7.498 -15.244
79 HG13 VAL 11 HG13 VAL 11 1.930 -6.030 -15.932
80 HG21 VAL 11 HG21 VAL 11 4.519 -6.227 -13.219
81 HG22 VAL 11 HG22 VAL 11 3.333 -6.229 -11.899
82 HG23 VAL 11 HG23 VAL 11 3.425 -7.615 -13.006
83 H THR 12 H THR 12 0.354 -3.288 -13.107
84 HA THR 12 HA THR 12 -0.548 -2.957 -15.909
85 HB THR 12 HB THR 12 -2.768 -2.573 -14.859
86 HG1 THR 12 HG1 THR 12 -2.933 -2.965 -12.635
87 HG21 THR 12 HG21 THR 12 -1.349 -5.100 -13.898
88 HG22 THR 12 HG22 THR 12 -3.102 -4.885 -14.091
89 HG23 THR 12 HG23 THR 12 -2.044 -4.858 -15.516
90 H SER 13 H SER 13 0.600 -1.037 -13.205
91 HA SER 13 HA SER 13 0.105 1.422 -14.802
92 HB2 SER 13 HB2 SER 13 -0.821 0.814 -11.978
93 HB3 SER 13 HB3 SER 13 -0.604 2.469 -12.579
94 HG SER 13 HG SER 13 -2.756 1.687 -12.849
95 H GLY 14 H GLY 14 1.934 -0.359 -12.372
96 HA2 GLY 14 HA2 GLY 14 4.298 0.008 -12.172
97 HA3 GLY 14 HA3 GLY 14 4.058 1.724 -12.514
98 H LEU 15 H LEU 15 5.545 1.583 -10.497
99 HA LEU 15 HA LEU 15 4.563 0.796 -7.968
100 HB2 LEU 15 HB2 LEU 15 6.926 1.157 -8.446
101 HB3 LEU 15 HB3 LEU 15 6.633 2.858 -8.826
102 HG LEU 15 HG LEU 15 5.983 3.291 -6.487
103 HD11 LEU 15 HD11 LEU 15 5.131 1.039 -5.872
104 HD12 LEU 15 HD12 LEU 15 6.778 0.377 -6.020
105 HD13 LEU 15 HD13 LEU 15 6.404 1.572 -4.758
106 HD21 LEU 15 HD21 LEU 15 8.226 3.018 -5.514
107 HD22 LEU 15 HD22 LEU 15 8.652 1.854 -6.789
108 HD23 LEU 15 HD23 LEU 15 8.326 3.550 -7.205
109 H THR 16 H THR 16 4.046 3.786 -9.813
110 HA THR 16 HA THR 16 3.301 5.452 -7.631
111 HB THR 16 HB THR 16 2.236 5.538 -10.485
112 HG1 THR 16 HG1 THR 16 4.053 6.845 -10.838
113 HG21 THR 16 HG21 THR 16 1.095 7.083 -8.944
114 HG22 THR 16 HG22 THR 16 2.663 7.691 -8.366
115 HG23 THR 16 HG23 THR 16 2.163 7.980 -10.046
116 H ALA 17 H ALA 17 1.423 3.033 -9.495
117 HA ALA 17 HA ALA 17 -1.079 3.872 -8.241
118 HB1 ALA 17 HB1 ALA 17 -0.350 1.420 -9.885
119 HB2 ALA 17 HB2 ALA 17 -1.997 1.904 -9.427
120 HB3 ALA 17 HB3 ALA 17 -1.040 2.947 -10.508
121 H CYS 18 H CYS 18 1.479 1.473 -7.673
122 HA CYS 18 HA CYS 18 0.037 -0.060 -5.713
123 HB2 CYS 18 HB2 CYS 18 2.000 -0.907 -6.895
124 HB3 CYS 18 HB3 CYS 18 2.989 0.401 -6.251
125 H ARG 19 H ARG 19 1.907 2.946 -5.658
126 HA ARG 19 HA ARG 19 2.064 3.062 -2.756
127 HB2 ARG 19 HB2 ARG 19 3.638 4.055 -4.569
128 HB3 ARG 19 HB3 ARG 19 2.454 5.360 -4.699
129 HG2 ARG 19 HG2 ARG 19 2.715 5.824 -2.259
130 HG3 ARG 19 HG3 ARG 19 3.860 4.469 -2.140
131 HD2 ARG 19 HD2 ARG 19 5.271 5.625 -3.904
132 HD3 ARG 19 HD3 ARG 19 4.191 7.023 -3.767
133 HE ARG 19 HE ARG 19 5.378 6.053 -1.246
134 HH11 ARG 19 HH11 ARG 19 5.617 8.329 -3.938
135 HH12 ARG 19 HH12 ARG 19 6.695 9.406 -3.078
136 HH21 ARG 19 HH21 ARG 19 6.787 7.462 -0.157
137 HH22 ARG 19 HH22 ARG 19 7.334 8.929 -0.932
138 H ASN 20 H ASN 20 -0.075 4.303 -5.284
139 HA ASN 20 HA ASN 20 -1.558 6.029 -3.469
140 HB2 ASN 20 HB2 ASN 20 -2.141 4.984 -6.266
141 HB3 ASN 20 HB3 ASN 20 -3.141 6.168 -5.415
142 HD21 ASN 20 HD21 ASN 20 -2.116 6.866 -7.845
143 HD22 ASN 20 HD22 ASN 20 -0.826 8.043 -7.654
144 H HIS 21 H HIS 21 -1.696 2.625 -4.382
145 HA HIS 21 HA HIS 21 -4.432 2.275 -3.435
146 HB2 HIS 21 HB2 HIS 21 -3.465 0.935 -5.252
147 HB3 HIS 21 HB3 HIS 21 -2.235 0.305 -4.152
148 HD1 HIS 21 HD1 HIS 21 -6.103 0.186 -4.526
149 HD2 HIS 21 HD2 HIS 21 -2.849 -1.871 -2.848
150 HE1 HIS 21 HE1 HIS 21 -7.024 -2.011 -3.601
151 H CYS 22 H CYS 22 -1.122 1.789 -2.165
152 HA CYS 22 HA CYS 22 -2.037 0.529 0.282
153 HB2 CYS 22 HB2 CYS 22 0.554 1.852 -0.567
154 HB3 CYS 22 HB3 CYS 22 0.336 1.077 1.003
155 H ARG 23 H ARG 23 -1.679 3.858 -0.846
156 HA ARG 23 HA ARG 23 -1.958 4.906 1.893
157 HB2 ARG 23 HB2 ARG 23 -1.497 6.209 -0.807
158 HB3 ARG 23 HB3 ARG 23 -1.864 7.143 0.655
159 HG2 ARG 23 HG2 ARG 23 0.047 6.144 1.826
160 HG3 ARG 23 HG3 ARG 23 0.474 5.202 0.380
161 HD2 ARG 23 HD2 ARG 23 0.904 7.228 -0.882
162 HD3 ARG 23 HD3 ARG 23 0.246 8.238 0.422
163 HE ARG 23 HE ARG 23 2.317 6.758 1.574
164 HH11 ARG 23 HH11 ARG 23 1.984 9.176 -0.987
165 HH12 ARG 23 HH12 ARG 23 3.577 9.844 -0.722
166 HH21 ARG 23 HH21 ARG 23 4.367 7.650 1.909
167 HH22 ARG 23 HH22 ARG 23 4.928 8.984 0.927
168 H SER 24 H SER 24 -4.051 3.374 0.146
169 HA SER 24 HA SER 24 -6.302 5.121 0.982
170 HB2 SER 24 HB2 SER 24 -5.954 5.285 -1.483
171 HB3 SER 24 HB3 SER 24 -6.177 3.524 -1.602
172 HG SER 24 HG SER 24 -8.113 4.718 -1.969
173 H CYS 25 H CYS 25 -8.370 3.739 1.076
174 HA CYS 25 HA CYS 25 -7.749 1.512 2.808
175 HB2 CYS 25 HB2 CYS 25 -9.650 3.150 3.084
176 HB3 CYS 25 HB3 CYS 25 -10.448 2.363 1.716
177 H HIS 26 H HIS 26 -7.426 -0.570 2.246
178 HA HIS 26 HA HIS 26 -8.693 -1.631 -0.222
179 HB2 HIS 26 HB2 HIS 26 -6.498 -2.669 -0.806
180 HB3 HIS 26 HB3 HIS 26 -6.494 -0.904 -0.915
181 HD1 HIS 26 HD1 HIS 26 -4.763 0.361 0.570
182 HD2 HIS 26 HD2 HIS 26 -5.239 -3.721 1.475
183 HE1 HIS 26 HE1 HIS 26 -2.953 -0.215 2.303
184 HE2 HIS 26 HE2 HIS 26 -3.273 -2.702 2.861
185 H ARG 27 H ARG 27 -8.511 -4.064 -0.270
186 HA ARG 27 HA ARG 27 -9.316 -5.072 2.312
187 HB2 ARG 27 HB2 ARG 27 -9.634 -5.788 -0.411
188 HB3 ARG 27 HB3 ARG 27 -8.793 -7.140 0.336
189 HG2 ARG 27 HG2 ARG 27 -11.414 -5.881 1.271
190 HG3 ARG 27 HG3 ARG 27 -11.242 -7.428 0.430
191 HD2 ARG 27 HD2 ARG 27 -10.155 -6.764 3.203
192 HD3 ARG 27 HD3 ARG 27 -11.579 -7.738 2.850
193 HE ARG 27 HE ARG 27 -8.765 -8.543 2.584
194 HH11 ARG 27 HH11 ARG 27 -12.113 -9.300 1.722
195 HH12 ARG 27 HH12 ARG 27 -11.755 -10.980 1.391
196 HH21 ARG 27 HH21 ARG 27 -8.342 -10.700 2.156
197 HH22 ARG 27 HH22 ARG 27 -9.627 -11.776 1.637
198 H GLY 28 H GLY 28 -8.204 -6.248 3.783
199 HA2 GLY 28 HA2 GLY 28 -5.309 -6.754 3.308
200 HA3 GLY 28 HA3 GLY 28 -6.125 -6.608 4.873
201 H ASP 29 H ASP 29 -5.206 -8.618 5.552
202 HA ASP 29 HA ASP 29 -5.924 -11.046 4.065
203 HB2 ASP 29 HB2 ASP 29 -3.690 -10.675 5.097
204 HB3 ASP 29 HB3 ASP 29 -4.443 -10.653 6.693
205 H VAL 30 H VAL 30 -7.212 -9.161 6.684
206 HA VAL 30 HA VAL 30 -9.222 -11.284 7.197
207 HB VAL 30 HB VAL 30 -7.399 -11.431 8.879
208 HG11 VAL 30 HG11 VAL 30 -8.314 -8.640 9.705
209 HG12 VAL 30 HG12 VAL 30 -7.148 -9.661 10.572
210 HG13 VAL 30 HG13 VAL 30 -6.755 -9.037 8.960
211 HG21 VAL 30 HG21 VAL 30 -9.739 -12.072 9.425
212 HG22 VAL 30 HG22 VAL 30 -8.816 -11.508 10.838
213 HG23 VAL 30 HG23 VAL 30 -10.005 -10.434 10.078
214 H GLY 31 H GLY 31 -8.493 -7.999 6.561
215 HA2 GLY 31 HA2 GLY 31 -11.211 -7.195 6.446
216 HA3 GLY 31 HA3 GLY 31 -10.489 -6.583 7.953
217 H CYS 32 H CYS 32 -11.269 -4.640 6.225
218 HA CYS 32 HA CYS 32 -9.135 -4.058 4.332
219 HB2 CYS 32 HB2 CYS 32 -11.590 -2.496 5.169
220 HB3 CYS 32 HB3 CYS 32 -10.411 -1.944 3.974
221 H VAL 33 H VAL 33 -7.593 -2.520 4.404
222 HA VAL 33 HA VAL 33 -7.209 -0.933 6.860
223 HB VAL 33 HB VAL 33 -4.903 -1.746 7.120
224 HG11 VAL 33 HG11 VAL 33 -6.856 -4.075 7.167
225 HG12 VAL 33 HG12 VAL 33 -5.361 -3.910 8.113
226 HG13 VAL 33 HG13 VAL 33 -6.732 -2.826 8.428
227 HG21 VAL 33 HG21 VAL 33 -4.487 -2.481 4.802
228 HG22 VAL 33 HG22 VAL 33 -4.138 -3.772 5.966
229 HG23 VAL 33 HG23 VAL 33 -5.639 -3.819 5.009
230 H ARG 34 H ARG 34 -5.266 0.503 6.607
231 HA ARG 34 HA ARG 34 -4.516 1.122 3.809
232 HB2 ARG 34 HB2 ARG 34 -4.792 3.531 4.267
233 HB3 ARG 34 HB3 ARG 34 -6.329 2.652 4.326
234 HG2 ARG 34 HG2 ARG 34 -6.195 2.585 6.805
235 HG3 ARG 34 HG3 ARG 34 -4.666 3.490 6.743
236 HD2 ARG 34 HD2 ARG 34 -5.793 5.388 5.695
237 HD3 ARG 34 HD3 ARG 34 -7.310 4.474 5.596
238 HE ARG 34 HE ARG 34 -6.608 4.440 8.295
239 HH11 ARG 34 HH11 ARG 34 -7.368 6.899 5.870
240 HH12 ARG 34 HH12 ARG 34 -8.000 8.030 7.044
241 HH21 ARG 34 HH21 ARG 34 -7.441 5.930 9.799
242 HH22 ARG 34 HH22 ARG 34 -8.051 7.479 9.258
243 H CYS 35 H CYS 35 -2.412 2.207 3.700
244 HA CYS 35 HA CYS 35 -0.806 1.788 6.180
245 HB2 CYS 35 HB2 CYS 35 -0.094 1.047 3.338
246 HB3 CYS 35 HB3 CYS 35 0.929 0.821 4.759
247 H SER 36 H SER 36 1.632 2.534 5.346
248 HA SER 36 HA SER 36 1.228 5.459 5.074
249 HB2 SER 36 HB2 SER 36 2.353 4.464 7.079
250 HB3 SER 36 HB3 SER 36 3.641 3.869 6.012
251 HG SER 36 HG SER 36 4.123 5.922 6.965
252 H ASN 37 H ASN 37 3.039 2.750 3.589
253 HA ASN 37 HA ASN 37 3.592 4.433 1.247
254 HB2 ASN 37 HB2 ASN 37 5.425 4.810 3.006
255 HB3 ASN 37 HB3 ASN 37 5.908 3.133 2.737
256 HD21 ASN 37 HD21 ASN 37 7.982 4.289 2.139
257 HD22 ASN 37 HD22 ASN 37 8.153 4.821 0.478
258 H ALA 38 H ALA 38 5.245 2.837 -0.216
259 HA ALA 38 HA ALA 38 4.372 0.051 -0.008
260 HB1 ALA 38 HB1 ALA 38 2.495 1.293 -1.150
261 HB2 ALA 38 HB2 ALA 38 3.650 1.745 -2.430
262 HB3 ALA 38 HB3 ALA 38 3.250 0.034 -2.164
263 H GLN 39 H GLN 39 5.301 -1.282 -1.777
264 HA GLN 39 HA GLN 39 7.336 -0.107 -3.493
265 HB2 GLN 39 HB2 GLN 39 9.155 -1.529 -2.716
266 HB3 GLN 39 HB3 GLN 39 8.620 -0.465 -1.411
267 HG2 GLN 39 HG2 GLN 39 7.359 -2.291 -0.376
268 HG3 GLN 39 HG3 GLN 39 7.735 -3.360 -1.742
269 HE21 GLN 39 HE21 GLN 39 9.461 -1.258 0.655
270 HE22 GLN 39 HE22 GLN 39 10.775 -2.386 0.921
271 H CYS 40 H CYS 40 8.230 -1.814 -4.995
272 HA CYS 40 HA CYS 40 6.151 -3.870 -5.496
273 HB2 CYS 40 HB2 CYS 40 8.319 -2.701 -7.259
274 HB3 CYS 40 HB3 CYS 40 7.243 -4.016 -7.739
275 H THR 41 H THR 41 6.627 -6.037 -5.596
276 HA THR 41 HA THR 41 9.377 -6.908 -4.865
277 HB THR 41 HB THR 41 8.455 -8.394 -3.153
278 HG1 THR 41 HG1 THR 41 6.001 -7.057 -3.611
279 HG21 THR 41 HG21 THR 41 7.486 -5.544 -2.698
280 HG22 THR 41 HG22 THR 41 7.886 -6.754 -1.454
281 HG23 THR 41 HG23 THR 41 9.167 -6.096 -2.494
282 H GLY 42 H GLY 42 9.207 -9.511 -4.734
283 HA2 GLY 42 HA2 GLY 42 8.225 -11.476 -5.749
284 HA3 GLY 42 HA3 GLY 42 7.689 -10.485 -7.111
285 H PHE 43 H PHE 43 8.844 -12.395 -8.189
286 HA PHE 43 HA PHE 43 11.698 -12.612 -8.087
287 HB2 PHE 43 HB2 PHE 43 10.338 -14.444 -8.839
288 HB3 PHE 43 HB3 PHE 43 9.572 -13.441 -10.077
289 HD1 PHE 43 HD2 PHE 43 12.900 -14.878 -9.108
290 HD2 PHE 43 HD1 PHE 43 10.392 -13.350 -12.249
291 HE1 PHE 43 HE2 PHE 43 14.593 -15.549 -10.787
292 HE2 PHE 43 HE1 PHE 43 12.091 -14.016 -13.931
293 HZ PHE 43 HZ PHE 43 14.202 -15.089 -13.202
294 H LEU 44 H LEU 44 9.567 -10.378 -9.771
295 HA LEU 44 HA LEU 44 11.927 -9.118 -10.974
296 HB2 LEU 44 HB2 LEU 44 10.872 -10.882 -12.547
297 HB3 LEU 44 HB3 LEU 44 9.508 -9.771 -12.694
298 HG LEU 44 HG LEU 44 11.089 -8.017 -13.576
299 HD11 LEU 44 HD11 LEU 44 13.349 -8.775 -14.296
300 HD12 LEU 44 HD12 LEU 44 13.188 -8.774 -12.529
301 HD13 LEU 44 HD13 LEU 44 13.103 -10.310 -13.428
302 HD21 LEU 44 HD21 LEU 44 11.446 -9.111 -15.750
303 HD22 LEU 44 HD22 LEU 44 11.186 -10.701 -15.004
304 HD23 LEU 44 HD23 LEU 44 9.849 -9.531 -15.090
305 H GLY 45 H GLY 45 9.819 -8.569 -8.841
306 HA2 GLY 45 HA2 GLY 45 8.932 -6.605 -8.015
307 HA3 GLY 45 HA3 GLY 45 9.451 -5.760 -9.481
308 H THR 46 H THR 46 7.503 -8.648 -9.879
309 HA THR 46 HA THR 46 5.488 -7.056 -11.241
310 HB THR 46 HB THR 46 4.576 -9.337 -11.829
311 HG1 THR 46 HG1 THR 46 5.910 -11.077 -11.296
312 HG21 THR 46 HG21 THR 46 7.536 -8.827 -12.361
313 HG22 THR 46 HG22 THR 46 6.479 -9.898 -13.307
314 HG23 THR 46 HG23 THR 46 6.185 -8.144 -13.285
315 H THR 47 H THR 47 5.758 -7.508 -8.025
316 HA THR 47 HA THR 47 2.801 -7.740 -7.708
317 HB THR 47 HB THR 47 4.910 -8.918 -5.869
318 HG1 THR 47 HG1 THR 47 4.084 -10.874 -6.644
319 HG21 THR 47 HG21 THR 47 1.863 -9.024 -5.849
320 HG22 THR 47 HG22 THR 47 2.921 -10.004 -4.802
321 HG23 THR 47 HG23 THR 47 2.898 -8.238 -4.637
322 H CYS 48 H CYS 48 1.866 -6.399 -6.174
323 HA CYS 48 HA CYS 48 3.537 -4.139 -5.242
324 HB2 CYS 48 HB2 CYS 48 1.545 -3.585 -6.492
325 HB3 CYS 48 HB3 CYS 48 0.557 -4.624 -5.459
326 H THR 49 H THR 49 3.815 -3.629 -3.104
327 HA THR 49 HA THR 49 2.386 -5.188 -1.037
328 HB THR 49 HB THR 49 5.422 -4.967 -1.235
329 HG1 THR 49 HG1 THR 49 5.262 -7.203 -1.476
330 HG21 THR 49 HG21 THR 49 5.391 -6.464 0.757
331 HG22 THR 49 HG22 THR 49 4.688 -4.874 1.112
332 HG23 THR 49 HG23 THR 49 3.623 -6.275 0.845
333 H CYS 50 H CYS 50 2.177 -4.090 0.930
334 HA CYS 50 HA CYS 50 2.750 -1.187 0.735
335 HB2 CYS 50 HB2 CYS 50 0.885 -2.690 2.590
336 HB3 CYS 50 HB3 CYS 50 1.026 -0.940 2.427
337 H ILE 51 H ILE 51 3.221 -0.048 2.793
338 HA ILE 51 HA ILE 51 5.242 -1.561 4.391
339 HB ILE 51 HB ILE 51 5.142 1.366 3.590
340 HG12 ILE 51 HG12 ILE 51 5.702 -0.063 1.666
341 HG13 ILE 51 HG13 ILE 51 7.082 0.912 2.184
342 HG21 ILE 51 HG21 ILE 51 7.220 -0.210 5.159
343 HG22 ILE 51 HG22 ILE 51 7.460 1.433 4.523
344 HG23 ILE 51 HG23 ILE 51 6.206 1.138 5.737
345 HD11 ILE 51 HD11 ILE 51 7.747 -1.376 1.620
346 HD12 ILE 51 HD12 ILE 51 8.049 -1.057 3.337
347 HD13 ILE 51 HD13 ILE 51 6.640 -2.036 2.837
348 H ASN 52 H ASN 52 5.119 -1.449 6.586
349 HA ASN 52 HA ASN 52 2.656 -0.579 7.755
350 HB2 ASN 52 HB2 ASN 52 3.684 -1.410 9.838
351 HB3 ASN 52 HB3 ASN 52 3.918 -2.550 8.508
352 HD21 ASN 52 HD21 ASN 52 5.481 -0.238 10.684
353 HD22 ASN 52 HD22 ASN 52 7.124 -0.698 10.290
354 HA PRO 53 HA PRO 53 2.284 0.014 10.344
355 HB2 PRO 53 HB2 PRO 53 0.879 2.648 10.493
356 HB3 PRO 53 HB3 PRO 53 1.245 1.489 11.811
357 HG2 PRO 53 HG2 PRO 53 2.678 3.773 11.580
358 HG3 PRO 53 HG3 PRO 53 3.515 2.218 11.917
359 HD2 PRO 53 HD2 PRO 53 3.141 3.584 9.233
360 HD3 PRO 53 HD3 PRO 53 4.650 2.950 9.957
361 H CYS 54 H CYS 54 0.004 -0.521 10.082
362 HA CYS 54 HA CYS 54 -1.315 0.480 7.628
363 HB2 CYS 54 HB2 CYS 54 -0.706 -2.401 8.308
364 HB3 CYS 54 HB3 CYS 54 -1.959 -1.937 7.160
365 HA PRO 55 HA PRO 55 -4.090 0.149 11.388
366 HB2 PRO 55 HB2 PRO 55 -5.229 2.629 11.154
367 HB3 PRO 55 HB3 PRO 55 -3.657 2.351 11.979
368 HG2 PRO 55 HG2 PRO 55 -4.105 3.194 9.096
369 HG3 PRO 55 HG3 PRO 55 -3.061 3.986 10.329
370 HD2 PRO 55 HD2 PRO 55 -1.998 2.242 8.574
371 HD3 PRO 55 HD3 PRO 55 -1.520 2.165 10.301
372 H ARG 56 H ARG 56 -6.508 0.291 11.403
373 HA ARG 56 HA ARG 56 -7.527 -0.854 8.929
374 HB2 ARG 56 HB2 ARG 56 -8.911 -0.229 11.558
375 HB3 ARG 56 HB3 ARG 56 -9.587 -1.184 10.222
376 HG2 ARG 56 HG2 ARG 56 -7.646 -2.775 10.429
377 HG3 ARG 56 HG3 ARG 56 -7.115 -1.878 11.871
378 HD2 ARG 56 HD2 ARG 56 -9.323 -2.326 12.924
379 HD3 ARG 56 HD3 ARG 56 -9.789 -3.267 11.490
380 HE ARG 56 HE ARG 56 -7.336 -4.294 12.485
381 HH11 ARG 56 HH11 ARG 56 -10.745 -4.101 13.386
382 HH12 ARG 56 HH12 ARG 56 -10.706 -5.575 14.326
383 HH21 ARG 56 HH21 ARG 56 -7.316 -6.235 13.695
384 HH22 ARG 56 HH22 ARG 56 -8.771 -6.778 14.501
385 H CYS 57 H CYS 57 -9.661 -0.182 8.029
386 HA CYS 57 HA CYS 57 -10.280 2.677 8.185
387 HB2 CYS 57 HB2 CYS 57 -9.977 2.974 5.748
388 HB3 CYS 57 HB3 CYS 57 -8.464 2.637 6.594
Start of MODEL 10
1 HA PCA 1 HA PCA 1 -17.571 -1.783 -0.591
2 HB2 PCA 1 HB2 PCA 1 -15.298 -3.099 0.189
3 HB3 PCA 1 HB3 PCA 1 -16.807 -3.976 -0.243
4 HG2 PCA 1 HG2 PCA 1 -15.367 -4.986 -1.813
5 HG3 PCA 1 HG3 PCA 1 -14.365 -3.503 -1.969
6 H ASN 2 H ASN 2 -15.977 -0.674 0.923
7 HA ASN 2 HA ASN 2 -14.652 1.489 -0.489
8 HB2 ASN 2 HB2 ASN 2 -14.290 2.413 1.732
9 HB3 ASN 2 HB3 ASN 2 -15.968 1.855 1.585
10 HD21 ASN 2 HD21 ASN 2 -12.767 1.119 2.970
11 HD22 ASN 2 HD22 ASN 2 -13.358 0.033 4.215
12 H CYS 3 H CYS 3 -13.679 -1.561 -0.207
13 HA CYS 3 HA CYS 3 -10.830 -0.863 -0.195
14 HB2 CYS 3 HB2 CYS 3 -10.440 -2.799 1.436
15 HB3 CYS 3 HB3 CYS 3 -10.932 -1.237 2.087
16 HA PRO 4 HA PRO 4 -11.797 -4.190 -3.213
17 HB2 PRO 4 HB2 PRO 4 -10.475 -3.126 -5.327
18 HB3 PRO 4 HB3 PRO 4 -12.081 -2.510 -4.823
19 HG2 PRO 4 HG2 PRO 4 -9.349 -1.392 -4.104
20 HG3 PRO 4 HG3 PRO 4 -10.761 -0.502 -4.770
21 HD2 PRO 4 HD2 PRO 4 -10.214 -0.592 -2.092
22 HD3 PRO 4 HD3 PRO 4 -11.896 -0.581 -2.709
23 H THR 5 H THR 5 -10.049 -5.363 -4.653
24 HA THR 5 HA THR 5 -7.475 -5.488 -3.130
25 HB THR 5 HB THR 5 -8.920 -7.807 -4.465
26 HG1 THR 5 HG1 THR 5 -10.066 -7.067 -2.666
27 HG21 THR 5 HG21 THR 5 -7.327 -9.157 -3.126
28 HG22 THR 5 HG22 THR 5 -6.478 -8.080 -4.258
29 HG23 THR 5 HG23 THR 5 -6.570 -7.661 -2.528
30 H ARG 6 H ARG 6 -5.764 -4.966 -4.363
31 HA ARG 6 HA ARG 6 -5.669 -5.847 -7.192
32 HB2 ARG 6 HB2 ARG 6 -5.145 -3.020 -6.186
33 HB3 ARG 6 HB3 ARG 6 -4.724 -3.594 -7.804
34 HG2 ARG 6 HG2 ARG 6 -7.569 -3.483 -6.697
35 HG3 ARG 6 HG3 ARG 6 -6.816 -2.268 -7.739
36 HD2 ARG 6 HD2 ARG 6 -6.417 -4.040 -9.465
37 HD3 ARG 6 HD3 ARG 6 -7.297 -5.194 -8.455
38 HE ARG 6 HE ARG 6 -8.388 -2.915 -9.996
39 HH11 ARG 6 HH11 ARG 6 -9.035 -5.474 -7.636
40 HH12 ARG 6 HH12 ARG 6 -10.763 -5.439 -7.906
41 HH21 ARG 6 HH21 ARG 6 -10.644 -2.893 -10.312
42 HH22 ARG 6 HH22 ARG 6 -11.665 -3.972 -9.395
43 H ARG 7 H ARG 7 -3.714 -6.731 -7.625
44 HA ARG 7 HA ARG 7 -1.393 -6.040 -5.865
45 HB2 ARG 7 HB2 ARG 7 -2.204 -8.746 -6.986
46 HB3 ARG 7 HB3 ARG 7 -0.684 -8.422 -6.159
47 HG2 ARG 7 HG2 ARG 7 -3.424 -8.114 -4.854
48 HG3 ARG 7 HG3 ARG 7 -2.410 -9.555 -4.769
49 HD2 ARG 7 HD2 ARG 7 -1.930 -8.475 -2.783
50 HD3 ARG 7 HD3 ARG 7 -0.561 -8.019 -3.819
51 HE ARG 7 HE ARG 7 -2.458 -6.004 -4.151
52 HH11 ARG 7 HH11 ARG 7 -0.670 -7.378 -1.428
53 HH12 ARG 7 HH12 ARG 7 -0.739 -5.899 -0.493
54 HH21 ARG 7 HH21 ARG 7 -2.547 -4.116 -2.928
55 HH22 ARG 7 HH22 ARG 7 -1.774 -4.035 -1.358
56 H GLY 8 H GLY 8 -2.678 -6.300 -9.049
57 HA2 GLY 8 HA2 GLY 8 -0.137 -6.835 -10.383
58 HA3 GLY 8 HA3 GLY 8 -1.711 -6.527 -11.139
59 H LEU 9 H LEU 9 -0.897 -4.180 -8.757
60 HA LEU 9 HA LEU 9 -0.966 -2.074 -10.669
61 HB2 LEU 9 HB2 LEU 9 -0.032 -2.132 -7.772
62 HB3 LEU 9 HB3 LEU 9 -0.418 -0.668 -8.690
63 HG LEU 9 HG LEU 9 -2.395 -2.930 -8.135
64 HD11 LEU 9 HD11 LEU 9 -2.080 -0.204 -6.822
65 HD12 LEU 9 HD12 LEU 9 -3.391 -1.369 -6.515
66 HD13 LEU 9 HD13 LEU 9 -1.719 -1.776 -6.068
67 HD21 LEU 9 HD21 LEU 9 -2.770 -0.105 -9.218
68 HD22 LEU 9 HD22 LEU 9 -2.951 -1.609 -10.158
69 HD23 LEU 9 HD23 LEU 9 -4.075 -1.252 -8.836
70 H CYS 10 H CYS 10 1.687 -4.080 -9.636
71 HA CYS 10 HA CYS 10 3.671 -2.048 -10.487
72 HB2 CYS 10 HB2 CYS 10 3.910 -4.754 -9.151
73 HB3 CYS 10 HB3 CYS 10 5.289 -3.779 -9.658
74 H VAL 11 H VAL 11 1.745 -4.201 -12.103
75 HA VAL 11 HA VAL 11 3.853 -5.431 -13.740
76 HB VAL 11 HB VAL 11 0.817 -5.528 -13.937
77 HG11 VAL 11 HG11 VAL 11 2.983 -7.194 -15.290
78 HG12 VAL 11 HG12 VAL 11 1.245 -7.552 -15.324
79 HG13 VAL 11 HG13 VAL 11 1.849 -6.078 -16.093
80 HG21 VAL 11 HG21 VAL 11 1.694 -6.513 -11.843
81 HG22 VAL 11 HG22 VAL 11 1.081 -7.766 -12.942
82 HG23 VAL 11 HG23 VAL 11 2.831 -7.503 -12.794
83 H THR 12 H THR 12 1.625 -2.678 -13.938
84 HA THR 12 HA THR 12 3.029 -1.806 -16.369
85 HB THR 12 HB THR 12 1.271 -3.312 -17.230
86 HG1 THR 12 HG1 THR 12 0.371 -1.787 -18.637
87 HG21 THR 12 HG21 THR 12 -0.409 -3.017 -15.407
88 HG22 THR 12 HG22 THR 12 -0.704 -1.353 -15.975
89 HG23 THR 12 HG23 THR 12 -1.097 -2.741 -17.013
90 H SER 13 H SER 13 0.760 -1.186 -13.715
91 HA SER 13 HA SER 13 0.330 1.591 -14.456
92 HB2 SER 13 HB2 SER 13 -0.265 -0.015 -11.942
93 HB3 SER 13 HB3 SER 13 -0.788 1.655 -12.245
94 HG SER 13 HG SER 13 -2.388 0.126 -12.834
95 H GLY 14 H GLY 14 2.668 -0.195 -12.629
96 HA2 GLY 14 HA2 GLY 14 4.810 0.560 -12.077
97 HA3 GLY 14 HA3 GLY 14 4.296 2.229 -12.314
98 H LEU 15 H LEU 15 5.855 1.829 -10.202
99 HA LEU 15 HA LEU 15 4.694 0.905 -7.794
100 HB2 LEU 15 HB2 LEU 15 7.089 1.217 -8.105
101 HB3 LEU 15 HB3 LEU 15 6.865 2.952 -8.395
102 HG LEU 15 HG LEU 15 6.080 3.264 -6.086
103 HD11 LEU 15 HD11 LEU 15 6.326 1.436 -4.440
104 HD12 LEU 15 HD12 LEU 15 5.103 1.032 -5.658
105 HD13 LEU 15 HD13 LEU 15 6.727 0.300 -5.749
106 HD21 LEU 15 HD21 LEU 15 8.477 3.477 -6.606
107 HD22 LEU 15 HD22 LEU 15 8.242 2.841 -4.965
108 HD23 LEU 15 HD23 LEU 15 8.711 1.746 -6.286
109 H THR 16 H THR 16 4.371 4.011 -9.491
110 HA THR 16 HA THR 16 3.486 5.566 -7.293
111 HB THR 16 HB THR 16 2.629 5.785 -10.210
112 HG1 THR 16 HG1 THR 16 4.474 7.105 -10.369
113 HG21 THR 16 HG21 THR 16 2.905 7.850 -7.986
114 HG22 THR 16 HG22 THR 16 2.495 8.207 -9.679
115 HG23 THR 16 HG23 THR 16 1.377 7.259 -8.681
116 H ALA 17 H ALA 17 1.768 3.225 -9.381
117 HA ALA 17 HA ALA 17 -0.839 4.000 -8.340
118 HB1 ALA 17 HB1 ALA 17 0.077 1.600 -9.971
119 HB2 ALA 17 HB2 ALA 17 -1.611 2.063 -9.656
120 HB3 ALA 17 HB3 ALA 17 -0.559 3.128 -10.620
121 H CYS 18 H CYS 18 1.670 1.584 -7.600
122 HA CYS 18 HA CYS 18 0.044 0.032 -5.790
123 HB2 CYS 18 HB2 CYS 18 2.028 -0.870 -6.880
124 HB3 CYS 18 HB3 CYS 18 3.036 0.384 -6.153
125 H ARG 19 H ARG 19 1.967 3.005 -5.549
126 HA ARG 19 HA ARG 19 1.945 3.030 -2.636
127 HB2 ARG 19 HB2 ARG 19 3.653 4.071 -4.275
128 HB3 ARG 19 HB3 ARG 19 2.475 5.380 -4.488
129 HG2 ARG 19 HG2 ARG 19 2.521 5.812 -2.044
130 HG3 ARG 19 HG3 ARG 19 3.654 4.458 -1.826
131 HD2 ARG 19 HD2 ARG 19 5.234 5.627 -3.410
132 HD3 ARG 19 HD3 ARG 19 4.134 7.016 -3.391
133 HE ARG 19 HE ARG 19 4.731 6.366 -0.699
134 HH11 ARG 19 HH11 ARG 19 6.391 7.567 -3.577
135 HH12 ARG 19 HH12 ARG 19 7.618 8.415 -2.665
136 HH21 ARG 19 HH21 ARG 19 6.330 7.466 0.465
137 HH22 ARG 19 HH22 ARG 19 7.584 8.359 -0.370
138 H ASN 20 H ASN 20 -0.018 4.406 -5.263
139 HA ASN 20 HA ASN 20 -1.612 6.077 -3.511
140 HB2 ASN 20 HB2 ASN 20 -2.038 5.026 -6.333
141 HB3 ASN 20 HB3 ASN 20 -3.112 6.177 -5.529
142 HD21 ASN 20 HD21 ASN 20 -1.996 6.922 -7.903
143 HD22 ASN 20 HD22 ASN 20 -0.765 8.138 -7.633
144 H HIS 21 H HIS 21 -1.632 2.680 -4.399
145 HA HIS 21 HA HIS 21 -4.378 2.225 -3.511
146 HB2 HIS 21 HB2 HIS 21 -3.353 0.918 -5.300
147 HB3 HIS 21 HB3 HIS 21 -2.059 0.386 -4.215
148 HD1 HIS 21 HD1 HIS 21 -5.892 -0.074 -4.584
149 HD2 HIS 21 HD2 HIS 21 -2.479 -1.768 -2.815
150 HE1 HIS 21 HE1 HIS 21 -6.620 -2.318 -3.607
151 H CYS 22 H CYS 22 -1.088 1.995 -2.189
152 HA CYS 22 HA CYS 22 -1.979 0.701 0.276
153 HB2 CYS 22 HB2 CYS 22 0.619 1.972 -0.603
154 HB3 CYS 22 HB3 CYS 22 0.382 1.220 0.979
155 H ARG 23 H ARG 23 -1.575 4.026 -0.872
156 HA ARG 23 HA ARG 23 -1.897 5.105 1.843
157 HB2 ARG 23 HB2 ARG 23 -1.566 6.371 -0.893
158 HB3 ARG 23 HB3 ARG 23 -1.951 7.311 0.562
159 HG2 ARG 23 HG2 ARG 23 0.035 6.423 1.710
160 HG3 ARG 23 HG3 ARG 23 0.484 5.501 0.259
161 HD2 ARG 23 HD2 ARG 23 0.761 7.546 -1.021
162 HD3 ARG 23 HD3 ARG 23 0.101 8.517 0.314
163 HE ARG 23 HE ARG 23 2.355 7.037 1.248
164 HH11 ARG 23 HH11 ARG 23 1.555 9.778 -0.841
165 HH12 ARG 23 HH12 ARG 23 3.084 10.580 -0.563
166 HH21 ARG 23 HH21 ARG 23 4.322 8.111 1.592
167 HH22 ARG 23 HH22 ARG 23 4.637 9.652 0.817
168 H SER 24 H SER 24 -3.948 3.484 0.030
169 HA SER 24 HA SER 24 -6.283 5.078 0.957
170 HB2 SER 24 HB2 SER 24 -5.982 5.288 -1.518
171 HB3 SER 24 HB3 SER 24 -6.091 3.521 -1.652
172 HG SER 24 HG SER 24 -8.113 4.594 -1.959
173 H CYS 25 H CYS 25 -8.270 3.504 1.015
174 HA CYS 25 HA CYS 25 -7.370 1.314 2.704
175 HB2 CYS 25 HB2 CYS 25 -10.186 2.071 1.885
176 HB3 CYS 25 HB3 CYS 25 -9.709 0.996 3.208
177 H HIS 26 H HIS 26 -7.259 -0.805 2.263
178 HA HIS 26 HA HIS 26 -8.416 -1.878 -0.240
179 HB2 HIS 26 HB2 HIS 26 -6.160 -2.891 -0.760
180 HB3 HIS 26 HB3 HIS 26 -6.246 -1.134 -0.941
181 HD1 HIS 26 HD1 HIS 26 -4.531 0.259 0.439
182 HD2 HIS 26 HD2 HIS 26 -4.956 -3.748 1.670
183 HE1 HIS 26 HE1 HIS 26 -2.750 -0.143 2.248
184 HE2 HIS 26 HE2 HIS 26 -3.036 -2.582 2.997
185 H ARG 27 H ARG 27 -7.947 -4.329 -0.297
186 HA ARG 27 HA ARG 27 -8.965 -5.371 2.191
187 HB2 ARG 27 HB2 ARG 27 -9.544 -6.085 -0.213
188 HB3 ARG 27 HB3 ARG 27 -7.997 -6.941 -0.230
189 HG2 ARG 27 HG2 ARG 27 -9.841 -8.460 0.344
190 HG3 ARG 27 HG3 ARG 27 -8.728 -8.299 1.710
191 HD2 ARG 27 HD2 ARG 27 -11.126 -8.222 2.384
192 HD3 ARG 27 HD3 ARG 27 -10.256 -6.751 2.830
193 HE ARG 27 HE ARG 27 -11.217 -5.835 0.589
194 HH11 ARG 27 HH11 ARG 27 -12.922 -8.061 2.747
195 HH12 ARG 27 HH12 ARG 27 -14.502 -7.476 2.265
196 HH21 ARG 27 HH21 ARG 27 -13.251 -5.119 -0.009
197 HH22 ARG 27 HH22 ARG 27 -14.691 -5.834 0.684
198 H GLY 28 H GLY 28 -7.995 -6.641 3.711
199 HA2 GLY 28 HA2 GLY 28 -5.048 -7.096 3.477
200 HA3 GLY 28 HA3 GLY 28 -5.889 -6.720 4.984
201 H ASP 29 H ASP 29 -4.675 -8.789 5.582
202 HA ASP 29 HA ASP 29 -5.773 -11.273 4.476
203 HB2 ASP 29 HB2 ASP 29 -3.709 -10.695 6.623
204 HB3 ASP 29 HB3 ASP 29 -4.134 -12.309 6.034
205 H VAL 30 H VAL 30 -6.619 -9.159 7.045
206 HA VAL 30 HA VAL 30 -8.353 -11.282 8.198
207 HB VAL 30 HB VAL 30 -6.299 -11.007 9.567
208 HG11 VAL 30 HG11 VAL 30 -7.333 -8.177 10.030
209 HG12 VAL 30 HG12 VAL 30 -5.961 -8.949 10.855
210 HG13 VAL 30 HG13 VAL 30 -5.874 -8.612 9.114
211 HG21 VAL 30 HG21 VAL 30 -8.451 -11.686 10.599
212 HG22 VAL 30 HG22 VAL 30 -7.393 -10.788 11.715
213 HG23 VAL 30 HG23 VAL 30 -8.792 -9.981 10.975
214 H GLY 31 H GLY 31 -8.040 -8.156 6.891
215 HA2 GLY 31 HA2 GLY 31 -10.760 -7.522 6.944
216 HA3 GLY 31 HA3 GLY 31 -10.032 -6.722 8.355
217 H CYS 32 H CYS 32 -10.978 -4.923 6.674
218 HA CYS 32 HA CYS 32 -9.025 -4.300 4.588
219 HB2 CYS 32 HB2 CYS 32 -11.500 -2.844 5.564
220 HB3 CYS 32 HB3 CYS 32 -10.441 -2.285 4.262
221 H VAL 33 H VAL 33 -7.552 -2.686 4.530
222 HA VAL 33 HA VAL 33 -7.070 -1.079 6.966
223 HB VAL 33 HB VAL 33 -4.712 -1.796 7.040
224 HG11 VAL 33 HG11 VAL 33 -5.017 -4.012 8.030
225 HG12 VAL 33 HG12 VAL 33 -6.340 -2.930 8.520
226 HG13 VAL 33 HG13 VAL 33 -6.613 -4.163 7.264
227 HG21 VAL 33 HG21 VAL 33 -5.547 -3.904 5.004
228 HG22 VAL 33 HG22 VAL 33 -4.456 -2.526 4.705
229 HG23 VAL 33 HG23 VAL 33 -3.980 -3.815 5.831
230 H ARG 34 H ARG 34 -5.233 0.424 6.644
231 HA ARG 34 HA ARG 34 -4.641 1.148 3.836
232 HB2 ARG 34 HB2 ARG 34 -5.037 3.545 4.413
233 HB3 ARG 34 HB3 ARG 34 -6.513 2.570 4.442
234 HG2 ARG 34 HG2 ARG 34 -6.359 2.389 6.911
235 HG3 ARG 34 HG3 ARG 34 -4.885 3.385 6.890
236 HD2 ARG 34 HD2 ARG 34 -6.128 5.273 5.988
237 HD3 ARG 34 HD3 ARG 34 -7.582 4.276 5.786
238 HE ARG 34 HE ARG 34 -6.914 4.081 8.486
239 HH11 ARG 34 HH11 ARG 34 -7.819 6.654 6.235
240 HH12 ARG 34 HH12 ARG 34 -8.562 7.637 7.475
241 HH21 ARG 34 HH21 ARG 34 -7.882 5.384 10.083
242 HH22 ARG 34 HH22 ARG 34 -8.604 6.915 9.652
243 H CYS 35 H CYS 35 -2.581 2.280 3.666
244 HA CYS 35 HA CYS 35 -0.878 1.936 6.102
245 HB2 CYS 35 HB2 CYS 35 -0.218 1.176 3.255
246 HB3 CYS 35 HB3 CYS 35 0.845 0.992 4.643
247 H SER 36 H SER 36 1.531 2.730 5.144
248 HA SER 36 HA SER 36 1.038 5.631 4.732
249 HB2 SER 36 HB2 SER 36 2.167 4.783 6.808
250 HB3 SER 36 HB3 SER 36 3.494 4.192 5.796
251 HG SER 36 HG SER 36 3.868 6.305 6.630
252 H ASN 37 H ASN 37 3.022 2.905 3.497
253 HA ASN 37 HA ASN 37 3.637 4.447 1.051
254 HB2 ASN 37 HB2 ASN 37 5.646 3.512 3.127
255 HB3 ASN 37 HB3 ASN 37 6.102 3.561 1.428
256 HD21 ASN 37 HD21 ASN 37 7.119 5.139 3.704
257 HD22 ASN 37 HD22 ASN 37 6.895 6.812 3.235
258 H ALA 38 H ALA 38 5.304 2.789 -0.244
259 HA ALA 38 HA ALA 38 4.318 0.040 -0.044
260 HB1 ALA 38 HB1 ALA 38 3.708 1.749 -2.488
261 HB2 ALA 38 HB2 ALA 38 3.255 0.047 -2.244
262 HB3 ALA 38 HB3 ALA 38 2.511 1.315 -1.244
263 H GLN 39 H GLN 39 5.187 -1.339 -1.779
264 HA GLN 39 HA GLN 39 7.336 -0.313 -3.465
265 HB2 GLN 39 HB2 GLN 39 9.008 -1.904 -2.664
266 HB3 GLN 39 HB3 GLN 39 8.556 -0.769 -1.375
267 HG2 GLN 39 HG2 GLN 39 7.132 -2.447 -0.337
268 HG3 GLN 39 HG3 GLN 39 7.374 -3.564 -1.690
269 HE21 GLN 39 HE21 GLN 39 9.366 -1.650 0.669
270 HE22 GLN 39 HE22 GLN 39 10.522 -2.940 0.952
271 H CYS 40 H CYS 40 8.127 -2.082 -4.947
272 HA CYS 40 HA CYS 40 5.882 -3.936 -5.542
273 HB2 CYS 40 HB2 CYS 40 8.207 -2.948 -7.219
274 HB3 CYS 40 HB3 CYS 40 7.023 -4.153 -7.750
275 H THR 41 H THR 41 6.193 -6.140 -5.749
276 HA THR 41 HA THR 41 8.804 -7.267 -4.872
277 HB THR 41 HB THR 41 7.613 -8.709 -3.266
278 HG1 THR 41 HG1 THR 41 5.448 -8.175 -2.785
279 HG21 THR 41 HG21 THR 41 7.003 -5.766 -2.755
280 HG22 THR 41 HG22 THR 41 7.191 -7.051 -1.542
281 HG23 THR 41 HG23 THR 41 8.588 -6.537 -2.507
282 H GLY 42 H GLY 42 8.362 -9.841 -4.772
283 HA2 GLY 42 HA2 GLY 42 7.337 -11.711 -5.870
284 HA3 GLY 42 HA3 GLY 42 6.868 -10.662 -7.213
285 H PHE 43 H PHE 43 7.978 -12.830 -8.080
286 HA PHE 43 HA PHE 43 10.834 -13.004 -8.080
287 HB2 PHE 43 HB2 PHE 43 9.505 -14.939 -8.565
288 HB3 PHE 43 HB3 PHE 43 8.608 -14.090 -9.823
289 HD1 PHE 43 HD2 PHE 43 12.061 -15.318 -8.990
290 HD2 PHE 43 HD1 PHE 43 9.249 -14.239 -12.061
291 HE1 PHE 43 HE2 PHE 43 13.639 -16.121 -10.729
292 HE2 PHE 43 HE1 PHE 43 10.824 -15.034 -13.792
293 HZ PHE 43 HZ PHE 43 13.030 -15.966 -13.132
294 H LEU 44 H LEU 44 8.643 -10.933 -9.843
295 HA LEU 44 HA LEU 44 10.926 -9.968 -11.435
296 HB2 LEU 44 HB2 LEU 44 9.560 -11.750 -12.672
297 HB3 LEU 44 HB3 LEU 44 8.241 -10.584 -12.716
298 HG LEU 44 HG LEU 44 9.691 -9.026 -14.028
299 HD11 LEU 44 HD11 LEU 44 11.699 -11.319 -13.870
300 HD12 LEU 44 HD12 LEU 44 11.841 -9.910 -14.941
301 HD13 LEU 44 HD13 LEU 44 11.912 -9.688 -13.183
302 HD21 LEU 44 HD21 LEU 44 8.256 -10.698 -15.158
303 HD22 LEU 44 HD22 LEU 44 9.745 -10.381 -16.077
304 HD23 LEU 44 HD23 LEU 44 9.598 -11.866 -15.116
305 H GLY 45 H GLY 45 9.114 -9.066 -9.110
306 HA2 GLY 45 HA2 GLY 45 8.467 -6.985 -8.369
307 HA3 GLY 45 HA3 GLY 45 8.962 -6.298 -9.927
308 H THR 46 H THR 46 6.751 -8.962 -10.154
309 HA THR 46 HA THR 46 4.755 -7.195 -11.321
310 HB THR 46 HB THR 46 3.661 -9.418 -11.882
311 HG1 THR 46 HG1 THR 46 4.960 -11.226 -11.547
312 HG21 THR 46 HG21 THR 46 5.134 -8.230 -13.455
313 HG22 THR 46 HG22 THR 46 6.565 -8.972 -12.707
314 HG23 THR 46 HG23 THR 46 5.386 -9.987 -13.570
315 H THR 47 H THR 47 5.244 -7.662 -8.178
316 HA THR 47 HA THR 47 2.326 -7.873 -7.599
317 HB THR 47 HB THR 47 4.620 -8.936 -5.908
318 HG1 THR 47 HG1 THR 47 4.158 -10.179 -7.757
319 HG21 THR 47 HG21 THR 47 2.777 -9.997 -4.604
320 HG22 THR 47 HG22 THR 47 2.764 -8.225 -4.491
321 HG23 THR 47 HG23 THR 47 1.598 -9.056 -5.548
322 H CYS 48 H CYS 48 1.556 -6.569 -5.866
323 HA CYS 48 HA CYS 48 3.323 -4.262 -5.199
324 HB2 CYS 48 HB2 CYS 48 1.399 -3.599 -6.474
325 HB3 CYS 48 HB3 CYS 48 0.323 -4.568 -5.460
326 H THR 49 H THR 49 3.646 -3.696 -3.091
327 HA THR 49 HA THR 49 2.194 -5.155 -0.956
328 HB THR 49 HB THR 49 5.218 -5.012 -1.258
329 HG1 THR 49 HG1 THR 49 4.203 -6.637 -2.461
330 HG21 THR 49 HG21 THR 49 4.649 -4.759 1.098
331 HG22 THR 49 HG22 THR 49 3.492 -6.119 0.995
332 HG23 THR 49 HG23 THR 49 5.240 -6.404 0.815
333 H CYS 50 H CYS 50 2.102 -4.022 1.026
334 HA CYS 50 HA CYS 50 2.684 -1.126 0.721
335 HB2 CYS 50 HB2 CYS 50 0.795 -2.548 2.614
336 HB3 CYS 50 HB3 CYS 50 0.985 -0.800 2.413
337 H ILE 51 H ILE 51 3.143 0.061 2.767
338 HA ILE 51 HA ILE 51 5.189 -1.407 4.379
339 HB ILE 51 HB ILE 51 5.083 1.473 3.434
340 HG12 ILE 51 HG12 ILE 51 5.683 -0.097 1.630
341 HG13 ILE 51 HG13 ILE 51 7.035 0.937 2.078
342 HG21 ILE 51 HG21 ILE 51 7.122 0.039 5.164
343 HG22 ILE 51 HG22 ILE 51 7.389 1.626 4.400
344 HG23 ILE 51 HG23 ILE 51 6.103 1.436 5.599
345 HD11 ILE 51 HD11 ILE 51 6.649 -1.956 2.962
346 HD12 ILE 51 HD12 ILE 51 7.765 -1.376 1.711
347 HD13 ILE 51 HD13 ILE 51 8.023 -0.912 3.407
348 H ASN 52 H ASN 52 5.253 -1.078 6.577
349 HA ASN 52 HA ASN 52 2.783 -0.391 7.847
350 HB2 ASN 52 HB2 ASN 52 5.582 -0.889 8.938
351 HB3 ASN 52 HB3 ASN 52 4.140 -0.755 9.939
352 HD21 ASN 52 HD21 ASN 52 5.532 -3.024 10.210
353 HD22 ASN 52 HD22 ASN 52 4.716 -4.367 9.437
354 HA PRO 53 HA PRO 53 2.350 0.267 10.157
355 HB2 PRO 53 HB2 PRO 53 0.551 2.078 11.080
356 HB3 PRO 53 HB3 PRO 53 2.215 1.988 11.734
357 HG2 PRO 53 HG2 PRO 53 1.170 3.849 9.573
358 HG3 PRO 53 HG3 PRO 53 2.090 4.292 11.044
359 HD2 PRO 53 HD2 PRO 53 3.340 3.930 8.649
360 HD3 PRO 53 HD3 PRO 53 4.097 3.378 10.181
361 H CYS 54 H CYS 54 0.088 -0.399 9.980
362 HA CYS 54 HA CYS 54 -1.343 0.531 7.559
363 HB2 CYS 54 HB2 CYS 54 -0.546 -2.297 8.244
364 HB3 CYS 54 HB3 CYS 54 -1.862 -1.933 7.136
365 HA PRO 55 HA PRO 55 -4.028 0.079 11.396
366 HB2 PRO 55 HB2 PRO 55 -5.269 2.515 11.171
367 HB3 PRO 55 HB3 PRO 55 -3.699 2.277 12.008
368 HG2 PRO 55 HG2 PRO 55 -4.148 3.149 9.131
369 HG3 PRO 55 HG3 PRO 55 -3.126 3.948 10.378
370 HD2 PRO 55 HD2 PRO 55 -2.020 2.263 8.592
371 HD3 PRO 55 HD3 PRO 55 -1.530 2.176 10.305
372 H ARG 56 H ARG 56 -6.456 0.101 11.422
373 HA ARG 56 HA ARG 56 -7.424 -1.101 8.967
374 HB2 ARG 56 HB2 ARG 56 -8.712 -0.572 11.656
375 HB3 ARG 56 HB3 ARG 56 -9.528 -1.368 10.293
376 HG2 ARG 56 HG2 ARG 56 -7.662 -3.042 10.193
377 HG3 ARG 56 HG3 ARG 56 -6.970 -2.305 11.659
378 HD2 ARG 56 HD2 ARG 56 -8.288 -4.238 12.274
379 HD3 ARG 56 HD3 ARG 56 -9.112 -2.764 12.841
380 HE ARG 56 HE ARG 56 -10.085 -3.475 10.248
381 HH11 ARG 56 HH11 ARG 56 -10.215 -4.540 13.613
382 HH12 ARG 56 HH12 ARG 56 -11.783 -5.300 13.438
383 HH21 ARG 56 HH21 ARG 56 -12.139 -4.464 10.050
384 HH22 ARG 56 HH22 ARG 56 -12.864 -5.258 11.426
385 H CYS 57 H CYS 57 -9.599 -0.599 8.145
386 HA CYS 57 HA CYS 57 -10.434 2.217 8.203
387 HB2 CYS 57 HB2 CYS 57 -8.687 2.202 6.498
388 HB3 CYS 57 HB3 CYS 57 -9.430 0.809 5.706
Start of MODEL 11
1 HA PCA 1 HA PCA 1 -16.383 4.224 2.163
2 HB2 PCA 1 HB2 PCA 1 -17.224 4.788 -0.697
3 HB3 PCA 1 HB3 PCA 1 -18.194 4.991 0.808
4 HG2 PCA 1 HG2 PCA 1 -16.985 6.949 1.415
5 HG3 PCA 1 HG3 PCA 1 -16.884 7.097 -0.375
6 H ASN 2 H ASN 2 -14.206 3.079 -0.130
7 HA ASN 2 HA ASN 2 -15.387 0.378 -0.049
8 HB2 ASN 2 HB2 ASN 2 -16.098 1.511 -2.174
9 HB3 ASN 2 HB3 ASN 2 -14.391 1.781 -2.564
10 HD21 ASN 2 HD21 ASN 2 -14.802 0.613 -4.518
11 HD22 ASN 2 HD22 ASN 2 -14.835 -1.143 -4.525
12 H CYS 3 H CYS 3 -13.782 -1.281 -0.493
13 HA CYS 3 HA CYS 3 -10.957 -0.445 -0.489
14 HB2 CYS 3 HB2 CYS 3 -10.504 -1.956 1.452
15 HB3 CYS 3 HB3 CYS 3 -11.357 -0.462 1.835
16 HA PRO 4 HA PRO 4 -11.862 -4.131 -3.102
17 HB2 PRO 4 HB2 PRO 4 -10.629 -3.298 -5.373
18 HB3 PRO 4 HB3 PRO 4 -12.230 -2.663 -4.890
19 HG2 PRO 4 HG2 PRO 4 -9.508 -1.418 -4.365
20 HG3 PRO 4 HG3 PRO 4 -10.939 -0.639 -5.119
21 HD2 PRO 4 HD2 PRO 4 -10.383 -0.377 -2.461
22 HD3 PRO 4 HD3 PRO 4 -12.072 -0.529 -3.035
23 H THR 5 H THR 5 -10.182 -5.440 -4.468
24 HA THR 5 HA THR 5 -7.594 -5.492 -2.970
25 HB THR 5 HB THR 5 -8.995 -7.820 -4.317
26 HG1 THR 5 HG1 THR 5 -10.203 -7.066 -2.564
27 HG21 THR 5 HG21 THR 5 -6.696 -7.634 -2.318
28 HG22 THR 5 HG22 THR 5 -7.439 -9.140 -2.906
29 HG23 THR 5 HG23 THR 5 -6.563 -8.085 -4.035
30 H ARG 6 H ARG 6 -5.768 -5.240 -4.168
31 HA ARG 6 HA ARG 6 -5.776 -5.970 -7.043
32 HB2 ARG 6 HB2 ARG 6 -4.901 -3.292 -5.886
33 HB3 ARG 6 HB3 ARG 6 -4.559 -3.837 -7.539
34 HG2 ARG 6 HG2 ARG 6 -7.360 -3.430 -6.409
35 HG3 ARG 6 HG3 ARG 6 -6.465 -2.259 -7.388
36 HD2 ARG 6 HD2 ARG 6 -6.277 -3.949 -9.208
37 HD3 ARG 6 HD3 ARG 6 -7.293 -5.054 -8.270
38 HE ARG 6 HE ARG 6 -8.118 -2.550 -9.626
39 HH11 ARG 6 HH11 ARG 6 -9.055 -5.248 -7.534
40 HH12 ARG 6 HH12 ARG 6 -10.763 -5.018 -7.818
41 HH21 ARG 6 HH21 ARG 6 -10.340 -2.276 -9.964
42 HH22 ARG 6 HH22 ARG 6 -11.487 -3.323 -9.168
43 H ARG 7 H ARG 7 -3.763 -6.725 -7.737
44 HA ARG 7 HA ARG 7 -1.579 -6.789 -5.683
45 HB2 ARG 7 HB2 ARG 7 -2.456 -9.083 -7.470
46 HB3 ARG 7 HB3 ARG 7 -1.184 -9.128 -6.248
47 HG2 ARG 7 HG2 ARG 7 -4.166 -8.785 -5.731
48 HG3 ARG 7 HG3 ARG 7 -3.230 -10.258 -5.479
49 HD2 ARG 7 HD2 ARG 7 -2.927 -7.642 -3.965
50 HD3 ARG 7 HD3 ARG 7 -3.591 -9.157 -3.352
51 HE ARG 7 HE ARG 7 -1.322 -10.155 -3.664
52 HH11 ARG 7 HH11 ARG 7 -1.655 -6.637 -3.354
53 HH12 ARG 7 HH12 ARG 7 0.006 -6.425 -2.840
54 HH21 ARG 7 HH21 ARG 7 0.822 -9.819 -2.939
55 HH22 ARG 7 HH22 ARG 7 1.379 -8.197 -2.587
56 H GLY 8 H GLY 8 -2.528 -6.473 -9.046
57 HA2 GLY 8 HA2 GLY 8 0.249 -6.886 -9.991
58 HA3 GLY 8 HA3 GLY 8 -1.212 -6.853 -10.977
59 H LEU 9 H LEU 9 -0.905 -4.314 -8.597
60 HA LEU 9 HA LEU 9 -1.248 -2.271 -10.507
61 HB2 LEU 9 HB2 LEU 9 -0.131 -2.203 -7.681
62 HB3 LEU 9 HB3 LEU 9 -0.639 -0.772 -8.592
63 HG LEU 9 HG LEU 9 -2.465 -3.120 -7.931
64 HD11 LEU 9 HD11 LEU 9 -2.192 -0.384 -6.644
65 HD12 LEU 9 HD12 LEU 9 -3.447 -1.583 -6.262
66 HD13 LEU 9 HD13 LEU 9 -1.746 -1.943 -5.895
67 HD21 LEU 9 HD21 LEU 9 -3.182 -1.843 -9.921
68 HD22 LEU 9 HD22 LEU 9 -4.253 -1.495 -8.544
69 HD23 LEU 9 HD23 LEU 9 -3.006 -0.319 -9.010
70 H CYS 10 H CYS 10 1.755 -3.820 -9.459
71 HA CYS 10 HA CYS 10 3.331 -1.535 -10.355
72 HB2 CYS 10 HB2 CYS 10 3.842 -3.070 -8.384
73 HB3 CYS 10 HB3 CYS 10 4.439 -4.226 -9.576
74 H VAL 11 H VAL 11 1.604 -3.621 -12.090
75 HA VAL 11 HA VAL 11 3.589 -3.674 -14.315
76 HB VAL 11 HB VAL 11 1.436 -5.743 -13.727
77 HG11 VAL 11 HG11 VAL 11 1.933 -5.527 -16.130
78 HG12 VAL 11 HG12 VAL 11 3.673 -5.646 -15.800
79 HG13 VAL 11 HG13 VAL 11 2.614 -7.038 -15.497
80 HG21 VAL 11 HG21 VAL 11 3.336 -7.258 -13.244
81 HG22 VAL 11 HG22 VAL 11 4.461 -5.889 -13.395
82 HG23 VAL 11 HG23 VAL 11 3.249 -5.922 -12.086
83 H THR 12 H THR 12 0.309 -2.976 -13.172
84 HA THR 12 HA THR 12 -0.648 -2.480 -15.909
85 HB THR 12 HB THR 12 -2.760 -1.886 -14.757
86 HG1 THR 12 HG1 THR 12 -2.841 -2.226 -12.514
87 HG21 THR 12 HG21 THR 12 -1.531 -4.515 -13.812
88 HG22 THR 12 HG22 THR 12 -3.270 -4.150 -13.923
89 HG23 THR 12 HG23 THR 12 -2.289 -4.234 -15.398
90 H SER 13 H SER 13 0.946 -0.735 -13.390
91 HA SER 13 HA SER 13 0.762 1.724 -15.018
92 HB2 SER 13 HB2 SER 13 -1.188 1.768 -13.406
93 HB3 SER 13 HB3 SER 13 -0.022 1.677 -12.075
94 HG SER 13 HG SER 13 -0.633 3.845 -12.620
95 H GLY 14 H GLY 14 1.941 0.078 -12.083
96 HA2 GLY 14 HA2 GLY 14 4.455 -0.119 -11.972
97 HA3 GLY 14 HA3 GLY 14 4.507 1.618 -12.283
98 H LEU 15 H LEU 15 5.782 1.516 -10.217
99 HA LEU 15 HA LEU 15 4.648 0.771 -7.745
100 HB2 LEU 15 HB2 LEU 15 7.032 1.120 -8.075
101 HB3 LEU 15 HB3 LEU 15 6.760 2.820 -8.505
102 HG LEU 15 HG LEU 15 5.971 3.307 -6.231
103 HD11 LEU 15 HD11 LEU 15 5.036 1.097 -5.618
104 HD12 LEU 15 HD12 LEU 15 6.671 0.395 -5.653
105 HD13 LEU 15 HD13 LEU 15 6.241 1.622 -4.430
106 HD21 LEU 15 HD21 LEU 15 8.364 3.524 -6.778
107 HD22 LEU 15 HD22 LEU 15 8.145 3.027 -5.087
108 HD23 LEU 15 HD23 LEU 15 8.629 1.826 -6.302
109 H THR 16 H THR 16 4.187 3.693 -9.696
110 HA THR 16 HA THR 16 3.340 5.445 -7.643
111 HB THR 16 HB THR 16 2.346 5.345 -10.513
112 HG1 THR 16 HG1 THR 16 4.137 6.668 -10.907
113 HG21 THR 16 HG21 THR 16 2.165 7.801 -10.222
114 HG22 THR 16 HG22 THR 16 1.120 6.935 -9.077
115 HG23 THR 16 HG23 THR 16 2.656 7.628 -8.517
116 H ALA 17 H ALA 17 1.452 3.019 -9.570
117 HA ALA 17 HA ALA 17 -1.023 3.835 -8.275
118 HB1 ALA 17 HB1 ALA 17 -0.331 1.399 -9.955
119 HB2 ALA 17 HB2 ALA 17 -1.970 1.905 -9.488
120 HB3 ALA 17 HB3 ALA 17 -1.004 2.937 -10.558
121 H CYS 18 H CYS 18 1.527 1.443 -7.697
122 HA CYS 18 HA CYS 18 0.046 -0.144 -5.796
123 HB2 CYS 18 HB2 CYS 18 2.018 -0.985 -6.929
124 HB3 CYS 18 HB3 CYS 18 3.003 0.324 -6.283
125 H ARG 19 H ARG 19 1.934 2.870 -5.621
126 HA ARG 19 HA ARG 19 1.933 2.922 -2.707
127 HB2 ARG 19 HB2 ARG 19 3.675 3.943 -4.248
128 HB3 ARG 19 HB3 ARG 19 2.476 5.179 -4.678
129 HG2 ARG 19 HG2 ARG 19 2.295 5.842 -2.305
130 HG3 ARG 19 HG3 ARG 19 3.442 4.561 -1.851
131 HD2 ARG 19 HD2 ARG 19 5.175 5.614 -3.277
132 HD3 ARG 19 HD3 ARG 19 4.049 6.914 -3.689
133 HE ARG 19 HE ARG 19 5.346 6.407 -1.067
134 HH11 ARG 19 HH11 ARG 19 3.207 8.433 -3.031
135 HH12 ARG 19 HH12 ARG 19 3.260 9.774 -1.913
136 HH21 ARG 19 HH21 ARG 19 5.404 8.183 0.366
137 HH22 ARG 19 HH22 ARG 19 4.519 9.643 -0.006
138 H ASN 20 H ASN 20 0.003 4.332 -5.339
139 HA ASN 20 HA ASN 20 -1.570 6.021 -3.589
140 HB2 ASN 20 HB2 ASN 20 -2.031 5.002 -6.422
141 HB3 ASN 20 HB3 ASN 20 -3.047 6.196 -5.611
142 HD21 ASN 20 HD21 ASN 20 -1.918 6.899 -7.976
143 HD22 ASN 20 HD22 ASN 20 -0.619 8.049 -7.723
144 H HIS 21 H HIS 21 -1.624 2.623 -4.341
145 HA HIS 21 HA HIS 21 -4.416 2.297 -3.464
146 HB2 HIS 21 HB2 HIS 21 -3.491 0.966 -5.302
147 HB3 HIS 21 HB3 HIS 21 -2.230 0.332 -4.238
148 HD1 HIS 21 HD1 HIS 21 -6.094 0.107 -4.596
149 HD2 HIS 21 HD2 HIS 21 -2.785 -1.804 -2.846
150 HE1 HIS 21 HE1 HIS 21 -6.947 -2.098 -3.645
151 H CYS 22 H CYS 22 -1.107 1.900 -2.224
152 HA CYS 22 HA CYS 22 -1.987 0.608 0.226
153 HB2 CYS 22 HB2 CYS 22 0.607 1.911 -0.650
154 HB3 CYS 22 HB3 CYS 22 0.391 1.171 0.937
155 H ARG 23 H ARG 23 -1.642 3.942 -0.877
156 HA ARG 23 HA ARG 23 -1.816 4.990 1.868
157 HB2 ARG 23 HB2 ARG 23 -1.532 6.304 -0.851
158 HB3 ARG 23 HB3 ARG 23 -1.761 7.217 0.659
159 HG2 ARG 23 HG2 ARG 23 0.233 6.184 1.632
160 HG3 ARG 23 HG3 ARG 23 0.486 5.216 0.169
161 HD2 ARG 23 HD2 ARG 23 1.954 7.186 0.148
162 HD3 ARG 23 HD3 ARG 23 0.777 7.258 -1.164
163 HE ARG 23 HE ARG 23 -0.158 9.151 -0.227
164 HH11 ARG 23 HH11 ARG 23 1.902 7.600 2.228
165 HH12 ARG 23 HH12 ARG 23 1.783 8.955 3.318
166 HH21 ARG 23 HH21 ARG 23 -0.310 10.862 1.253
167 HH22 ARG 23 HH22 ARG 23 0.541 10.786 2.777
168 H SER 24 H SER 24 -3.997 3.535 0.027
169 HA SER 24 HA SER 24 -6.207 5.175 1.143
170 HB2 SER 24 HB2 SER 24 -7.557 4.667 -0.822
171 HB3 SER 24 HB3 SER 24 -6.080 5.526 -1.305
172 HG SER 24 HG SER 24 -6.500 3.710 -2.624
173 H CYS 25 H CYS 25 -8.266 3.706 1.268
174 HA CYS 25 HA CYS 25 -7.407 1.409 2.799
175 HB2 CYS 25 HB2 CYS 25 -10.220 2.264 2.049
176 HB3 CYS 25 HB3 CYS 25 -9.751 1.119 3.309
177 H HIS 26 H HIS 26 -7.315 -0.678 2.256
178 HA HIS 26 HA HIS 26 -8.599 -1.670 -0.224
179 HB2 HIS 26 HB2 HIS 26 -6.403 -2.718 -0.840
180 HB3 HIS 26 HB3 HIS 26 -6.417 -0.949 -0.966
181 HD1 HIS 26 HD1 HIS 26 -4.719 0.363 0.547
182 HD2 HIS 26 HD2 HIS 26 -5.053 -3.758 1.363
183 HE1 HIS 26 HE1 HIS 26 -2.883 -0.190 2.258
184 HE2 HIS 26 HE2 HIS 26 -3.105 -2.700 2.752
185 H ARG 27 H ARG 27 -8.341 -4.129 -0.306
186 HA ARG 27 HA ARG 27 -9.135 -5.135 2.286
187 HB2 ARG 27 HB2 ARG 27 -9.806 -5.746 -0.247
188 HB3 ARG 27 HB3 ARG 27 -8.569 -6.984 0.007
189 HG2 ARG 27 HG2 ARG 27 -11.045 -6.498 1.721
190 HG3 ARG 27 HG3 ARG 27 -10.816 -7.813 0.556
191 HD2 ARG 27 HD2 ARG 27 -8.888 -8.639 1.903
192 HD3 ARG 27 HD3 ARG 27 -9.230 -7.373 3.112
193 HE ARG 27 HE ARG 27 -11.630 -8.614 2.942
194 HH11 ARG 27 HH11 ARG 27 -8.357 -9.896 3.340
195 HH12 ARG 27 HH12 ARG 27 -8.890 -11.308 4.221
196 HH21 ARG 27 HH21 ARG 27 -12.293 -10.458 4.105
197 HH22 ARG 27 HH22 ARG 27 -11.116 -11.623 4.654
198 H GLY 28 H GLY 28 -7.865 -5.950 3.826
199 HA2 GLY 28 HA2 GLY 28 -5.029 -6.545 3.299
200 HA3 GLY 28 HA3 GLY 28 -5.838 -6.420 4.864
201 H ASP 29 H ASP 29 -4.743 -8.427 5.447
202 HA ASP 29 HA ASP 29 -5.344 -10.848 3.943
203 HB2 ASP 29 HB2 ASP 29 -3.167 -10.377 5.024
204 HB3 ASP 29 HB3 ASP 29 -3.952 -10.411 6.610
205 H VAL 30 H VAL 30 -6.780 -9.140 6.628
206 HA VAL 30 HA VAL 30 -8.649 -11.413 7.028
207 HB VAL 30 HB VAL 30 -6.853 -11.480 8.740
208 HG11 VAL 30 HG11 VAL 30 -7.979 -8.785 9.616
209 HG12 VAL 30 HG12 VAL 30 -6.751 -9.740 10.470
210 HG13 VAL 30 HG13 VAL 30 -6.384 -9.052 8.880
211 HG21 VAL 30 HG21 VAL 30 -8.290 -11.712 10.661
212 HG22 VAL 30 HG22 VAL 30 -9.541 -10.692 9.930
213 HG23 VAL 30 HG23 VAL 30 -9.170 -12.284 9.222
214 H GLY 31 H GLY 31 -8.169 -8.089 6.451
215 HA2 GLY 31 HA2 GLY 31 -10.934 -7.475 6.319
216 HA3 GLY 31 HA3 GLY 31 -10.285 -6.850 7.849
217 H CYS 32 H CYS 32 -11.161 -4.910 6.162
218 HA CYS 32 HA CYS 32 -9.076 -4.143 4.295
219 HB2 CYS 32 HB2 CYS 32 -11.561 -2.715 5.273
220 HB3 CYS 32 HB3 CYS 32 -10.419 -2.037 4.110
221 H VAL 33 H VAL 33 -7.568 -2.604 4.406
222 HA VAL 33 HA VAL 33 -7.142 -1.105 6.920
223 HB VAL 33 HB VAL 33 -4.796 -1.861 7.019
224 HG11 VAL 33 HG11 VAL 33 -6.510 -3.058 8.387
225 HG12 VAL 33 HG12 VAL 33 -6.701 -4.236 7.067
226 HG13 VAL 33 HG13 VAL 33 -5.149 -4.094 7.916
227 HG21 VAL 33 HG21 VAL 33 -5.594 -3.855 4.861
228 HG22 VAL 33 HG22 VAL 33 -4.492 -2.479 4.650
229 HG23 VAL 33 HG23 VAL 33 -4.042 -3.812 5.729
230 H ARG 34 H ARG 34 -5.257 0.397 6.666
231 HA ARG 34 HA ARG 34 -4.638 1.161 3.867
232 HB2 ARG 34 HB2 ARG 34 -4.987 3.537 4.426
233 HB3 ARG 34 HB3 ARG 34 -6.491 2.600 4.550
234 HG2 ARG 34 HG2 ARG 34 -6.204 2.459 7.011
235 HG3 ARG 34 HG3 ARG 34 -4.712 3.424 6.886
236 HD2 ARG 34 HD2 ARG 34 -5.971 5.296 5.945
237 HD3 ARG 34 HD3 ARG 34 -7.465 4.338 5.966
238 HE ARG 34 HE ARG 34 -6.398 4.368 8.593
239 HH11 ARG 34 HH11 ARG 34 -7.854 6.588 6.253
240 HH12 ARG 34 HH12 ARG 34 -8.542 7.618 7.486
241 HH21 ARG 34 HH21 ARG 34 -7.304 5.737 10.179
242 HH22 ARG 34 HH22 ARG 34 -8.235 7.139 9.699
243 H CYS 35 H CYS 35 -2.563 2.276 3.706
244 HA CYS 35 HA CYS 35 -0.859 1.876 6.121
245 HB2 CYS 35 HB2 CYS 35 -0.198 1.144 3.261
246 HB3 CYS 35 HB3 CYS 35 0.852 0.936 4.659
247 H SER 36 H SER 36 1.543 2.678 5.164
248 HA SER 36 HA SER 36 1.037 5.585 4.786
249 HB2 SER 36 HB2 SER 36 2.186 4.736 6.846
250 HB3 SER 36 HB3 SER 36 3.501 4.139 5.818
251 HG SER 36 HG SER 36 3.918 6.229 6.651
252 H ASN 37 H ASN 37 2.992 2.882 3.459
253 HA ASN 37 HA ASN 37 3.557 4.496 1.062
254 HB2 ASN 37 HB2 ASN 37 5.326 4.971 2.850
255 HB3 ASN 37 HB3 ASN 37 5.836 3.293 2.683
256 HD21 ASN 37 HD21 ASN 37 7.908 4.504 2.143
257 HD22 ASN 37 HD22 ASN 37 8.160 4.937 0.465
258 H ALA 38 H ALA 38 5.260 2.875 -0.318
259 HA ALA 38 HA ALA 38 4.388 0.085 -0.031
260 HB1 ALA 38 HB1 ALA 38 2.548 1.268 -1.259
261 HB2 ALA 38 HB2 ALA 38 3.728 1.721 -2.514
262 HB3 ALA 38 HB3 ALA 38 3.344 0.010 -2.227
263 H GLN 39 H GLN 39 5.301 -1.298 -1.729
264 HA GLN 39 HA GLN 39 7.452 -0.282 -3.424
265 HB2 GLN 39 HB2 GLN 39 9.127 -1.847 -2.552
266 HB3 GLN 39 HB3 GLN 39 8.654 -0.688 -1.301
267 HG2 GLN 39 HG2 GLN 39 7.224 -2.332 -0.229
268 HG3 GLN 39 HG3 GLN 39 7.476 -3.493 -1.545
269 HE21 GLN 39 HE21 GLN 39 9.433 -1.539 0.790
270 HE22 GLN 39 HE22 GLN 39 10.605 -2.807 1.091
271 H CYS 40 H CYS 40 8.282 -2.186 -4.823
272 HA CYS 40 HA CYS 40 6.004 -4.042 -5.256
273 HB2 CYS 40 HB2 CYS 40 8.223 -3.335 -7.191
274 HB3 CYS 40 HB3 CYS 40 6.784 -4.322 -7.498
275 H THR 41 H THR 41 6.345 -6.247 -5.605
276 HA THR 41 HA THR 41 8.933 -7.337 -4.617
277 HB THR 41 HB THR 41 7.647 -8.901 -3.184
278 HG1 THR 41 HG1 THR 41 5.459 -8.358 -2.794
279 HG21 THR 41 HG21 THR 41 7.045 -5.979 -2.576
280 HG22 THR 41 HG22 THR 41 7.128 -7.317 -1.405
281 HG23 THR 41 HG23 THR 41 8.592 -6.789 -2.258
282 H GLY 42 H GLY 42 8.635 -9.908 -4.703
283 HA2 GLY 42 HA2 GLY 42 7.912 -11.777 -6.003
284 HA3 GLY 42 HA3 GLY 42 7.373 -10.681 -7.280
285 H PHE 43 H PHE 43 8.787 -12.640 -8.260
286 HA PHE 43 HA PHE 43 11.639 -12.413 -8.072
287 HB2 PHE 43 HB2 PHE 43 10.480 -14.493 -8.614
288 HB3 PHE 43 HB3 PHE 43 9.783 -13.766 -10.057
289 HD1 PHE 43 HD2 PHE 43 13.238 -14.153 -8.565
290 HD2 PHE 43 HD1 PHE 43 10.737 -14.423 -12.054
291 HE1 PHE 43 HE2 PHE 43 15.184 -14.900 -9.909
292 HE2 PHE 43 HE1 PHE 43 12.685 -15.160 -13.394
293 HZ PHE 43 HZ PHE 43 14.905 -15.404 -12.325
294 H LEU 44 H LEU 44 9.259 -10.651 -9.901
295 HA LEU 44 HA LEU 44 11.436 -9.357 -11.454
296 HB2 LEU 44 HB2 LEU 44 8.766 -10.362 -12.509
297 HB3 LEU 44 HB3 LEU 44 9.844 -9.287 -13.409
298 HG LEU 44 HG LEU 44 10.632 -12.059 -12.419
299 HD11 LEU 44 HD11 LEU 44 9.851 -11.104 -15.203
300 HD12 LEU 44 HD12 LEU 44 10.426 -12.729 -14.771
301 HD13 LEU 44 HD13 LEU 44 8.863 -12.139 -14.146
302 HD21 LEU 44 HD21 LEU 44 12.520 -11.771 -14.001
303 HD22 LEU 44 HD22 LEU 44 11.978 -10.115 -14.351
304 HD23 LEU 44 HD23 LEU 44 12.567 -10.538 -12.727
305 H GLY 45 H GLY 45 9.504 -8.788 -9.017
306 HA2 GLY 45 HA2 GLY 45 8.733 -6.815 -8.117
307 HA3 GLY 45 HA3 GLY 45 9.293 -5.961 -9.565
308 H THR 46 H THR 46 7.178 -8.661 -10.118
309 HA THR 46 HA THR 46 5.234 -6.881 -11.326
310 HB THR 46 HB THR 46 4.188 -9.073 -12.025
311 HG1 THR 46 HG1 THR 46 5.402 -10.919 -11.575
312 HG21 THR 46 HG21 THR 46 6.036 -9.693 -13.540
313 HG22 THR 46 HG22 THR 46 5.841 -7.930 -13.447
314 HG23 THR 46 HG23 THR 46 7.168 -8.720 -12.571
315 H THR 47 H THR 47 5.557 -7.566 -8.164
316 HA THR 47 HA THR 47 2.605 -7.748 -7.738
317 HB THR 47 HB THR 47 4.824 -8.886 -5.991
318 HG1 THR 47 HG1 THR 47 4.492 -10.056 -7.909
319 HG21 THR 47 HG21 THR 47 2.911 -10.034 -4.865
320 HG22 THR 47 HG22 THR 47 2.889 -8.277 -4.643
321 HG23 THR 47 HG23 THR 47 1.788 -9.047 -5.824
322 H CYS 48 H CYS 48 1.784 -6.574 -5.914
323 HA CYS 48 HA CYS 48 3.462 -4.223 -5.183
324 HB2 CYS 48 HB2 CYS 48 1.464 -3.675 -6.437
325 HB3 CYS 48 HB3 CYS 48 0.471 -4.666 -5.367
326 H THR 49 H THR 49 3.782 -3.676 -3.056
327 HA THR 49 HA THR 49 2.343 -5.175 -0.949
328 HB THR 49 HB THR 49 5.372 -4.988 -1.175
329 HG1 THR 49 HG1 THR 49 4.403 -6.629 -2.411
330 HG21 THR 49 HG21 THR 49 4.716 -4.747 1.163
331 HG22 THR 49 HG22 THR 49 3.613 -6.138 1.031
332 HG23 THR 49 HG23 THR 49 5.371 -6.370 0.889
333 H CYS 50 H CYS 50 2.202 -4.036 1.039
334 HA CYS 50 HA CYS 50 2.761 -1.137 0.730
335 HB2 CYS 50 HB2 CYS 50 0.876 -2.565 2.618
336 HB3 CYS 50 HB3 CYS 50 1.043 -0.820 2.410
337 H ILE 51 H ILE 51 3.245 0.065 2.741
338 HA ILE 51 HA ILE 51 5.283 -1.386 4.373
339 HB ILE 51 HB ILE 51 5.084 1.524 3.541
340 HG12 ILE 51 HG12 ILE 51 5.708 0.066 1.653
341 HG13 ILE 51 HG13 ILE 51 7.054 1.095 2.147
342 HG21 ILE 51 HG21 ILE 51 7.196 0.065 5.168
343 HG22 ILE 51 HG22 ILE 51 7.409 1.682 4.453
344 HG23 ILE 51 HG23 ILE 51 6.155 1.416 5.679
345 HD11 ILE 51 HD11 ILE 51 7.802 -1.179 1.647
346 HD12 ILE 51 HD12 ILE 51 8.080 -0.797 3.356
347 HD13 ILE 51 HD13 ILE 51 6.709 -1.837 2.890
348 H ASN 52 H ASN 52 5.331 -1.090 6.583
349 HA ASN 52 HA ASN 52 2.828 -0.474 7.833
350 HB2 ASN 52 HB2 ASN 52 5.609 -1.006 8.940
351 HB3 ASN 52 HB3 ASN 52 4.167 -0.893 9.943
352 HD21 ASN 52 HD21 ASN 52 5.515 -3.182 10.187
353 HD22 ASN 52 HD22 ASN 52 4.695 -4.491 9.364
354 HA PRO 53 HA PRO 53 2.378 0.117 10.161
355 HB2 PRO 53 HB2 PRO 53 0.570 1.897 11.119
356 HB3 PRO 53 HB3 PRO 53 2.235 1.791 11.782
357 HG2 PRO 53 HG2 PRO 53 1.192 3.703 9.668
358 HG3 PRO 53 HG3 PRO 53 2.106 4.114 11.161
359 HD2 PRO 53 HD2 PRO 53 3.357 3.830 8.757
360 HD3 PRO 53 HD3 PRO 53 4.119 3.249 10.267
361 H CYS 54 H CYS 54 0.123 -0.544 9.962
362 HA CYS 54 HA CYS 54 -1.307 0.467 7.575
363 HB2 CYS 54 HB2 CYS 54 -0.553 -2.392 8.198
364 HB3 CYS 54 HB3 CYS 54 -1.859 -1.985 7.095
365 HA PRO 55 HA PRO 55 -3.962 -0.043 11.416
366 HB2 PRO 55 HB2 PRO 55 -5.218 2.399 11.219
367 HB3 PRO 55 HB3 PRO 55 -3.645 2.157 12.050
368 HG2 PRO 55 HG2 PRO 55 -4.116 3.060 9.189
369 HG3 PRO 55 HG3 PRO 55 -3.077 3.842 10.429
370 HD2 PRO 55 HD2 PRO 55 -1.989 2.172 8.616
371 HD3 PRO 55 HD3 PRO 55 -1.489 2.063 10.331
372 H ARG 56 H ARG 56 -6.353 -0.065 11.504
373 HA ARG 56 HA ARG 56 -7.379 -1.266 9.072
374 HB2 ARG 56 HB2 ARG 56 -8.673 -0.715 11.773
375 HB3 ARG 56 HB3 ARG 56 -9.389 -1.670 10.463
376 HG2 ARG 56 HG2 ARG 56 -7.436 -3.216 10.531
377 HG3 ARG 56 HG3 ARG 56 -6.769 -2.297 11.895
378 HD2 ARG 56 HD2 ARG 56 -9.470 -3.698 11.862
379 HD3 ARG 56 HD3 ARG 56 -8.001 -4.332 12.619
380 HE ARG 56 HE ARG 56 -8.369 -1.793 13.729
381 HH11 ARG 56 HH11 ARG 56 -10.200 -4.820 13.571
382 HH12 ARG 56 HH12 ARG 56 -10.996 -4.542 15.105
383 HH21 ARG 56 HH21 ARG 56 -9.431 -1.468 15.717
384 HH22 ARG 56 HH22 ARG 56 -10.570 -2.652 16.305
385 H CYS 57 H CYS 57 -9.435 -0.743 8.111
386 HA CYS 57 HA CYS 57 -10.388 2.035 8.392
387 HB2 CYS 57 HB2 CYS 57 -8.629 2.167 6.703
388 HB3 CYS 57 HB3 CYS 57 -9.340 0.815 5.816
Start of MODEL 12
1 HA PCA 1 HA PCA 1 -16.211 -2.426 -2.013
2 HB2 PCA 1 HB2 PCA 1 -18.228 -0.174 -2.308
3 HB3 PCA 1 HB3 PCA 1 -17.812 -1.457 -3.492
4 HG2 PCA 1 HG2 PCA 1 -19.029 -3.095 -2.268
5 HG3 PCA 1 HG3 PCA 1 -20.006 -1.639 -1.837
6 H ASN 2 H ASN 2 -16.026 -0.148 0.445
7 HA ASN 2 HA ASN 2 -14.676 1.961 -1.032
8 HB2 ASN 2 HB2 ASN 2 -16.125 2.256 1.036
9 HB3 ASN 2 HB3 ASN 2 -14.823 1.499 1.966
10 HD21 ASN 2 HD21 ASN 2 -14.839 3.563 3.169
11 HD22 ASN 2 HD22 ASN 2 -13.964 4.934 2.516
12 H CYS 3 H CYS 3 -13.717 -1.085 -0.488
13 HA CYS 3 HA CYS 3 -10.864 -0.362 -0.463
14 HB2 CYS 3 HB2 CYS 3 -10.427 -2.098 1.294
15 HB3 CYS 3 HB3 CYS 3 -11.165 -0.602 1.862
16 HA PRO 4 HA PRO 4 -11.900 -3.762 -3.379
17 HB2 PRO 4 HB2 PRO 4 -10.474 -2.828 -5.504
18 HB3 PRO 4 HB3 PRO 4 -12.077 -2.148 -5.072
19 HG2 PRO 4 HG2 PRO 4 -9.341 -1.077 -4.335
20 HG3 PRO 4 HG3 PRO 4 -10.722 -0.182 -5.050
21 HD2 PRO 4 HD2 PRO 4 -10.222 -0.178 -2.369
22 HD3 PRO 4 HD3 PRO 4 -11.896 -0.172 -3.006
23 H THR 5 H THR 5 -10.267 -5.146 -4.688
24 HA THR 5 HA THR 5 -7.742 -5.390 -3.106
25 HB THR 5 HB THR 5 -9.225 -7.617 -4.540
26 HG1 THR 5 HG1 THR 5 -10.454 -6.835 -2.814
27 HG21 THR 5 HG21 THR 5 -7.787 -9.039 -3.094
28 HG22 THR 5 HG22 THR 5 -6.827 -8.024 -4.187
29 HG23 THR 5 HG23 THR 5 -6.983 -7.580 -2.474
30 H ARG 6 H ARG 6 -5.955 -4.912 -4.243
31 HA ARG 6 HA ARG 6 -5.730 -5.792 -7.063
32 HB2 ARG 6 HB2 ARG 6 -5.127 -2.993 -6.013
33 HB3 ARG 6 HB3 ARG 6 -4.656 -3.595 -7.605
34 HG2 ARG 6 HG2 ARG 6 -7.537 -3.324 -6.644
35 HG3 ARG 6 HG3 ARG 6 -6.668 -2.155 -7.641
36 HD2 ARG 6 HD2 ARG 6 -6.267 -3.931 -9.349
37 HD3 ARG 6 HD3 ARG 6 -7.274 -5.039 -8.409
38 HE ARG 6 HE ARG 6 -8.147 -2.726 -10.013
39 HH11 ARG 6 HH11 ARG 6 -9.078 -5.155 -7.613
40 HH12 ARG 6 HH12 ARG 6 -10.787 -4.955 -7.919
41 HH21 ARG 6 HH21 ARG 6 -10.361 -2.513 -10.397
42 HH22 ARG 6 HH22 ARG 6 -11.513 -3.467 -9.489
43 H ARG 7 H ARG 7 -3.701 -6.546 -7.532
44 HA ARG 7 HA ARG 7 -1.497 -6.032 -5.581
45 HB2 ARG 7 HB2 ARG 7 -2.457 -8.743 -6.556
46 HB3 ARG 7 HB3 ARG 7 -0.932 -8.471 -5.703
47 HG2 ARG 7 HG2 ARG 7 -3.704 -7.857 -4.581
48 HG3 ARG 7 HG3 ARG 7 -2.711 -9.270 -4.202
49 HD2 ARG 7 HD2 ARG 7 -0.907 -7.744 -3.371
50 HD3 ARG 7 HD3 ARG 7 -1.985 -6.362 -3.624
51 HE ARG 7 HE ARG 7 -2.254 -8.519 -1.606
52 HH11 ARG 7 HH11 ARG 7 -3.534 -5.498 -2.967
53 HH12 ARG 7 HH12 ARG 7 -4.545 -5.177 -1.579
54 HH21 ARG 7 HH21 ARG 7 -3.595 -8.060 0.177
55 HH22 ARG 7 HH22 ARG 7 -4.593 -6.631 0.185
56 H GLY 8 H GLY 8 -2.611 -6.468 -8.842
57 HA2 GLY 8 HA2 GLY 8 0.061 -7.033 -9.933
58 HA3 GLY 8 HA3 GLY 8 -1.469 -6.928 -10.824
59 H LEU 9 H LEU 9 -0.986 -4.301 -8.635
60 HA LEU 9 HA LEU 9 -1.221 -2.360 -10.659
61 HB2 LEU 9 HB2 LEU 9 -0.124 -2.181 -7.828
62 HB3 LEU 9 HB3 LEU 9 -0.583 -0.785 -8.815
63 HG LEU 9 HG LEU 9 -2.500 -3.040 -8.086
64 HD11 LEU 9 HD11 LEU 9 -2.115 -0.298 -6.830
65 HD12 LEU 9 HD12 LEU 9 -3.428 -1.436 -6.443
66 HD13 LEU 9 HD13 LEU 9 -1.739 -1.862 -6.069
67 HD21 LEU 9 HD21 LEU 9 -3.143 -1.735 -10.097
68 HD22 LEU 9 HD22 LEU 9 -4.215 -1.371 -8.732
69 HD23 LEU 9 HD23 LEU 9 -2.936 -0.222 -9.177
70 H CYS 10 H CYS 10 1.683 -3.932 -9.405
71 HA CYS 10 HA CYS 10 3.488 -1.862 -10.297
72 HB2 CYS 10 HB2 CYS 10 3.977 -3.338 -8.419
73 HB3 CYS 10 HB3 CYS 10 3.921 -4.751 -9.477
74 H VAL 11 H VAL 11 1.631 -4.076 -12.041
75 HA VAL 11 HA VAL 11 3.638 -4.129 -14.259
76 HB VAL 11 HB VAL 11 1.477 -6.178 -13.609
77 HG11 VAL 11 HG11 VAL 11 1.949 -6.085 -16.011
78 HG12 VAL 11 HG12 VAL 11 3.701 -6.143 -15.689
79 HG13 VAL 11 HG13 VAL 11 2.674 -7.545 -15.314
80 HG21 VAL 11 HG21 VAL 11 3.304 -6.260 -11.967
81 HG22 VAL 11 HG22 VAL 11 3.392 -7.657 -13.061
82 HG23 VAL 11 HG23 VAL 11 4.504 -6.286 -13.281
83 H THR 12 H THR 12 0.374 -3.270 -13.238
84 HA THR 12 HA THR 12 -0.463 -2.943 -16.063
85 HB THR 12 HB THR 12 -2.699 -2.550 -15.075
86 HG1 THR 12 HG1 THR 12 -2.927 -2.901 -12.859
87 HG21 THR 12 HG21 THR 12 -1.975 -4.842 -15.681
88 HG22 THR 12 HG22 THR 12 -1.329 -5.072 -14.039
89 HG23 THR 12 HG23 THR 12 -3.077 -4.846 -14.288
90 H SER 13 H SER 13 0.647 -1.026 -13.337
91 HA SER 13 HA SER 13 0.189 1.422 -14.948
92 HB2 SER 13 HB2 SER 13 -0.781 0.843 -12.127
93 HB3 SER 13 HB3 SER 13 -0.525 2.487 -12.734
94 HG SER 13 HG SER 13 -2.685 1.745 -13.034
95 H GLY 14 H GLY 14 1.975 -0.360 -12.494
96 HA2 GLY 14 HA2 GLY 14 4.354 0.001 -12.299
97 HA3 GLY 14 HA3 GLY 14 4.094 1.729 -12.594
98 H LEU 15 H LEU 15 5.589 1.433 -10.529
99 HA LEU 15 HA LEU 15 4.498 0.609 -8.054
100 HB2 LEU 15 HB2 LEU 15 6.889 0.851 -8.462
101 HB3 LEU 15 HB3 LEU 15 6.686 2.577 -8.792
102 HG LEU 15 HG LEU 15 6.018 2.982 -6.466
103 HD11 LEU 15 HD11 LEU 15 6.267 1.200 -4.768
104 HD12 LEU 15 HD12 LEU 15 4.986 0.791 -5.922
105 HD13 LEU 15 HD13 LEU 15 6.581 0.007 -6.056
106 HD21 LEU 15 HD21 LEU 15 8.580 1.365 -6.719
107 HD22 LEU 15 HD22 LEU 15 8.391 3.096 -7.095
108 HD23 LEU 15 HD23 LEU 15 8.200 2.531 -5.423
109 H THR 16 H THR 16 4.143 3.663 -9.821
110 HA THR 16 HA THR 16 3.413 5.306 -7.611
111 HB THR 16 HB THR 16 2.430 5.496 -10.487
112 HG1 THR 16 HG1 THR 16 4.300 6.744 -10.774
113 HG21 THR 16 HG21 THR 16 2.873 7.581 -8.301
114 HG22 THR 16 HG22 THR 16 2.428 7.936 -9.989
115 HG23 THR 16 HG23 THR 16 1.301 7.055 -8.944
116 H ALA 17 H ALA 17 1.509 2.991 -9.569
117 HA ALA 17 HA ALA 17 -1.000 3.884 -8.380
118 HB1 ALA 17 HB1 ALA 17 -0.282 1.413 -10.000
119 HB2 ALA 17 HB2 ALA 17 -1.931 1.942 -9.579
120 HB3 ALA 17 HB3 ALA 17 -0.926 2.952 -10.639
121 H CYS 18 H CYS 18 1.475 1.436 -7.717
122 HA CYS 18 HA CYS 18 -0.078 -0.039 -5.775
123 HB2 CYS 18 HB2 CYS 18 1.834 -1.020 -6.898
124 HB3 CYS 18 HB3 CYS 18 2.892 0.272 -6.325
125 H ARG 19 H ARG 19 1.940 2.880 -5.729
126 HA ARG 19 HA ARG 19 2.027 3.033 -2.830
127 HB2 ARG 19 HB2 ARG 19 3.681 3.958 -4.588
128 HB3 ARG 19 HB3 ARG 19 2.531 5.288 -4.802
129 HG2 ARG 19 HG2 ARG 19 2.675 5.760 -2.340
130 HG3 ARG 19 HG3 ARG 19 3.859 4.443 -2.185
131 HD2 ARG 19 HD2 ARG 19 5.331 5.633 -3.820
132 HD3 ARG 19 HD3 ARG 19 4.148 6.961 -3.863
133 HE ARG 19 HE ARG 19 5.280 6.156 -1.238
134 HH11 ARG 19 HH11 ARG 19 5.218 8.508 -3.880
135 HH12 ARG 19 HH12 ARG 19 5.991 9.761 -2.934
136 HH21 ARG 19 HH21 ARG 19 6.277 7.800 -0.034
137 HH22 ARG 19 HH22 ARG 19 6.593 9.358 -0.764
138 H ASN 20 H ASN 20 -0.075 4.215 -5.404
139 HA ASN 20 HA ASN 20 -1.560 5.986 -3.605
140 HB2 ASN 20 HB2 ASN 20 -2.074 5.011 -6.444
141 HB3 ASN 20 HB3 ASN 20 -3.075 6.197 -5.599
142 HD21 ASN 20 HD21 ASN 20 -1.927 6.900 -7.989
143 HD22 ASN 20 HD22 ASN 20 -0.643 8.065 -7.711
144 H HIS 21 H HIS 21 -1.583 2.587 -4.354
145 HA HIS 21 HA HIS 21 -4.371 2.219 -3.506
146 HB2 HIS 21 HB2 HIS 21 -3.354 0.868 -5.287
147 HB3 HIS 21 HB3 HIS 21 -2.122 0.285 -4.158
148 HD1 HIS 21 HD1 HIS 21 -5.981 0.061 -4.570
149 HD2 HIS 21 HD2 HIS 21 -2.689 -1.872 -2.814
150 HE1 HIS 21 HE1 HIS 21 -6.852 -2.144 -3.634
151 H CYS 22 H CYS 22 -1.076 1.890 -2.183
152 HA CYS 22 HA CYS 22 -1.991 0.629 0.277
153 HB2 CYS 22 HB2 CYS 22 0.609 1.909 -0.591
154 HB3 CYS 22 HB3 CYS 22 0.386 1.159 0.986
155 H ARG 23 H ARG 23 -1.544 3.963 -0.840
156 HA ARG 23 HA ARG 23 -1.742 5.007 1.903
157 HB2 ARG 23 HB2 ARG 23 -1.488 6.370 -0.799
158 HB3 ARG 23 HB3 ARG 23 -1.624 7.227 0.752
159 HG2 ARG 23 HG2 ARG 23 0.372 6.015 1.596
160 HG3 ARG 23 HG3 ARG 23 0.578 5.248 0.017
161 HD2 ARG 23 HD2 ARG 23 0.611 8.249 0.555
162 HD3 ARG 23 HD3 ARG 23 2.037 7.227 0.303
163 HE ARG 23 HE ARG 23 0.374 6.837 -1.930
164 HH11 ARG 23 HH11 ARG 23 2.185 9.460 -0.410
165 HH12 ARG 23 HH12 ARG 23 2.423 10.330 -1.909
166 HH21 ARG 23 HH21 ARG 23 0.684 8.018 -3.893
167 HH22 ARG 23 HH22 ARG 23 1.601 9.503 -3.865
168 H SER 24 H SER 24 -3.906 3.549 0.119
169 HA SER 24 HA SER 24 -6.145 5.205 1.169
170 HB2 SER 24 HB2 SER 24 -5.988 3.844 -1.552
171 HB3 SER 24 HB3 SER 24 -7.450 4.570 -0.856
172 HG SER 24 HG SER 24 -6.280 5.997 -2.269
173 H CYS 25 H CYS 25 -8.190 3.751 1.331
174 HA CYS 25 HA CYS 25 -7.338 1.430 2.814
175 HB2 CYS 25 HB2 CYS 25 -10.151 2.267 2.046
176 HB3 CYS 25 HB3 CYS 25 -9.677 1.115 3.299
177 H HIS 26 H HIS 26 -7.272 -0.668 2.270
178 HA HIS 26 HA HIS 26 -8.489 -1.619 -0.263
179 HB2 HIS 26 HB2 HIS 26 -6.260 -2.660 -0.829
180 HB3 HIS 26 HB3 HIS 26 -6.291 -0.896 -0.946
181 HD1 HIS 26 HD1 HIS 26 -4.627 0.416 0.584
182 HD2 HIS 26 HD2 HIS 26 -4.994 -3.686 1.460
183 HE1 HIS 26 HE1 HIS 26 -2.811 -0.126 2.325
184 HE2 HIS 26 HE2 HIS 26 -3.061 -2.621 2.860
185 H ARG 27 H ARG 27 -8.142 -4.067 -0.414
186 HA ARG 27 HA ARG 27 -9.059 -5.198 2.079
187 HB2 ARG 27 HB2 ARG 27 -9.887 -5.857 -0.186
188 HB3 ARG 27 HB3 ARG 27 -8.297 -6.542 -0.541
189 HG2 ARG 27 HG2 ARG 27 -9.843 -8.314 0.137
190 HG3 ARG 27 HG3 ARG 27 -8.551 -8.143 1.331
191 HD2 ARG 27 HD2 ARG 27 -10.083 -6.786 2.764
192 HD3 ARG 27 HD3 ARG 27 -11.362 -6.978 1.541
193 HE ARG 27 HE ARG 27 -10.355 -9.542 2.341
194 HH11 ARG 27 HH11 ARG 27 -12.394 -6.885 3.479
195 HH12 ARG 27 HH12 ARG 27 -13.350 -7.915 4.517
196 HH21 ARG 27 HH21 ARG 27 -11.616 -10.855 3.717
197 HH22 ARG 27 HH22 ARG 27 -12.923 -10.155 4.641
198 H GLY 28 H GLY 28 -8.019 -6.429 3.551
199 HA2 GLY 28 HA2 GLY 28 -5.097 -6.911 3.197
200 HA3 GLY 28 HA3 GLY 28 -5.937 -6.698 4.732
201 H ASP 29 H ASP 29 -4.926 -8.737 5.377
202 HA ASP 29 HA ASP 29 -5.729 -11.168 3.959
203 HB2 ASP 29 HB2 ASP 29 -3.450 -10.771 4.905
204 HB3 ASP 29 HB3 ASP 29 -4.145 -10.767 6.528
205 H VAL 30 H VAL 30 -6.939 -9.275 6.614
206 HA VAL 30 HA VAL 30 -8.870 -11.453 7.238
207 HB VAL 30 HB VAL 30 -7.011 -11.470 8.877
208 HG11 VAL 30 HG11 VAL 30 -8.004 -8.678 9.586
209 HG12 VAL 30 HG12 VAL 30 -6.794 -9.614 10.490
210 HG13 VAL 30 HG13 VAL 30 -6.432 -9.066 8.842
211 HG21 VAL 30 HG21 VAL 30 -9.313 -12.159 9.509
212 HG22 VAL 30 HG22 VAL 30 -8.378 -11.500 10.873
213 HG23 VAL 30 HG23 VAL 30 -9.630 -10.512 10.096
214 H GLY 31 H GLY 31 -8.287 -8.180 6.462
215 HA2 GLY 31 HA2 GLY 31 -11.027 -7.483 6.299
216 HA3 GLY 31 HA3 GLY 31 -10.373 -6.825 7.808
217 H CYS 32 H CYS 32 -11.141 -4.873 6.188
218 HA CYS 32 HA CYS 32 -9.050 -4.185 4.271
219 HB2 CYS 32 HB2 CYS 32 -11.553 -2.742 5.184
220 HB3 CYS 32 HB3 CYS 32 -10.390 -2.084 4.027
221 H VAL 33 H VAL 33 -7.580 -2.562 4.373
222 HA VAL 33 HA VAL 33 -7.172 -1.101 6.912
223 HB VAL 33 HB VAL 33 -4.844 -1.877 7.077
224 HG11 VAL 33 HG11 VAL 33 -6.602 -3.108 8.344
225 HG12 VAL 33 HG12 VAL 33 -6.744 -4.252 6.989
226 HG13 VAL 33 HG13 VAL 33 -5.223 -4.136 7.895
227 HG21 VAL 33 HG21 VAL 33 -4.450 -2.436 4.707
228 HG22 VAL 33 HG22 VAL 33 -4.049 -3.802 5.772
229 HG23 VAL 33 HG23 VAL 33 -5.565 -3.814 4.842
230 H ARG 34 H ARG 34 -5.254 0.396 6.689
231 HA ARG 34 HA ARG 34 -4.637 1.188 3.900
232 HB2 ARG 34 HB2 ARG 34 -4.995 3.560 4.494
233 HB3 ARG 34 HB3 ARG 34 -6.494 2.620 4.583
234 HG2 ARG 34 HG2 ARG 34 -6.242 2.439 7.039
235 HG3 ARG 34 HG3 ARG 34 -4.746 3.397 6.954
236 HD2 ARG 34 HD2 ARG 34 -6.015 5.290 6.007
237 HD3 ARG 34 HD3 ARG 34 -7.504 4.327 6.037
238 HE ARG 34 HE ARG 34 -6.418 4.337 8.654
239 HH11 ARG 34 HH11 ARG 34 -7.880 6.587 6.355
240 HH12 ARG 34 HH12 ARG 34 -8.524 7.625 7.606
241 HH21 ARG 34 HH21 ARG 34 -7.264 5.711 10.267
242 HH22 ARG 34 HH22 ARG 34 -8.180 7.126 9.817
243 H CYS 35 H CYS 35 -2.567 2.316 3.746
244 HA CYS 35 HA CYS 35 -0.870 1.947 6.172
245 HB2 CYS 35 HB2 CYS 35 -0.145 1.241 3.330
246 HB3 CYS 35 HB3 CYS 35 0.849 0.991 4.761
247 H SER 36 H SER 36 1.523 2.810 5.301
248 HA SER 36 HA SER 36 0.970 5.684 4.803
249 HB2 SER 36 HB2 SER 36 3.215 4.181 6.186
250 HB3 SER 36 HB3 SER 36 3.223 5.930 5.896
251 HG SER 36 HG SER 36 2.365 5.403 7.951
252 H ASN 37 H ASN 37 2.813 2.929 3.475
253 HA ASN 37 HA ASN 37 3.502 4.552 1.145
254 HB2 ASN 37 HB2 ASN 37 5.282 4.996 2.957
255 HB3 ASN 37 HB3 ASN 37 5.764 3.313 2.768
256 HD21 ASN 37 HD21 ASN 37 7.853 4.444 2.219
257 HD22 ASN 37 HD22 ASN 37 8.102 4.904 0.551
258 H ALA 38 H ALA 38 5.170 2.944 -0.238
259 HA ALA 38 HA ALA 38 4.289 0.150 0.030
260 HB1 ALA 38 HB1 ALA 38 3.270 0.096 -2.177
261 HB2 ALA 38 HB2 ALA 38 2.477 1.368 -1.223
262 HB3 ALA 38 HB3 ALA 38 3.694 1.793 -2.457
263 H GLN 39 H GLN 39 5.194 -1.221 -1.702
264 HA GLN 39 HA GLN 39 7.396 -0.200 -3.326
265 HB2 GLN 39 HB2 GLN 39 9.026 -1.812 -2.476
266 HB3 GLN 39 HB3 GLN 39 8.553 -0.673 -1.210
267 HG2 GLN 39 HG2 GLN 39 7.091 -2.314 -0.184
268 HG3 GLN 39 HG3 GLN 39 7.319 -3.443 -1.535
269 HE21 GLN 39 HE21 GLN 39 9.328 -1.590 0.839
270 HE22 GLN 39 HE22 GLN 39 10.456 -2.900 1.129
271 H CYS 40 H CYS 40 8.248 -2.076 -4.727
272 HA CYS 40 HA CYS 40 6.012 -3.975 -5.270
273 HB2 CYS 40 HB2 CYS 40 6.294 -2.424 -7.067
274 HB3 CYS 40 HB3 CYS 40 8.034 -2.719 -7.128
275 H THR 41 H THR 41 6.443 -6.123 -5.564
276 HA THR 41 HA THR 41 9.190 -7.063 -4.878
277 HB THR 41 HB THR 41 8.173 -8.725 -3.366
278 HG1 THR 41 HG1 THR 41 5.979 -8.371 -2.783
279 HG21 THR 41 HG21 THR 41 7.355 -5.873 -2.671
280 HG22 THR 41 HG22 THR 41 7.633 -7.204 -1.530
281 HG23 THR 41 HG23 THR 41 8.989 -6.542 -2.469
282 H GLY 42 H GLY 42 9.273 -9.542 -5.124
283 HA2 GLY 42 HA2 GLY 42 8.211 -11.444 -6.355
284 HA3 GLY 42 HA3 GLY 42 7.917 -10.310 -7.681
285 H PHE 43 H PHE 43 9.247 -12.405 -8.511
286 HA PHE 43 HA PHE 43 12.096 -12.326 -8.076
287 HB2 PHE 43 HB2 PHE 43 10.890 -14.362 -8.682
288 HB3 PHE 43 HB3 PHE 43 10.356 -13.628 -10.198
289 HD1 PHE 43 HD2 PHE 43 13.591 -14.241 -8.362
290 HD2 PHE 43 HD1 PHE 43 11.494 -14.258 -12.118
291 HE1 PHE 43 HE2 PHE 43 15.624 -15.102 -9.496
292 HE2 PHE 43 HE1 PHE 43 13.524 -15.114 -13.250
293 HZ PHE 43 HZ PHE 43 15.592 -15.538 -11.939
294 H LEU 44 H LEU 44 9.921 -10.559 -10.145
295 HA LEU 44 HA LEU 44 12.229 -9.223 -11.442
296 HB2 LEU 44 HB2 LEU 44 9.723 -10.268 -12.820
297 HB3 LEU 44 HB3 LEU 44 10.885 -9.176 -13.577
298 HG LEU 44 HG LEU 44 11.583 -11.951 -12.529
299 HD11 LEU 44 HD11 LEU 44 11.107 -10.965 -15.370
300 HD12 LEU 44 HD12 LEU 44 11.650 -12.596 -14.900
301 HD13 LEU 44 HD13 LEU 44 10.029 -12.036 -14.444
302 HD21 LEU 44 HD21 LEU 44 13.641 -11.622 -13.870
303 HD22 LEU 44 HD22 LEU 44 13.115 -9.975 -14.279
304 HD23 LEU 44 HD23 LEU 44 13.515 -10.387 -12.597
305 H GLY 45 H GLY 45 9.921 -8.808 -9.284
306 HA2 GLY 45 HA2 GLY 45 8.804 -6.955 -8.488
307 HA3 GLY 45 HA3 GLY 45 9.524 -5.992 -9.792
308 H THR 46 H THR 46 6.867 -8.190 -8.928
309 HA THR 46 HA THR 46 5.262 -7.079 -11.152
310 HB THR 46 HB THR 46 4.433 -9.404 -11.657
311 HG1 THR 46 HG1 THR 46 5.745 -11.100 -10.922
312 HG21 THR 46 HG21 THR 46 6.147 -8.293 -13.066
313 HG22 THR 46 HG22 THR 46 7.429 -9.017 -12.065
314 HG23 THR 46 HG23 THR 46 6.346 -10.056 -13.023
315 H THR 47 H THR 47 5.462 -7.444 -7.902
316 HA THR 47 HA THR 47 2.502 -7.657 -7.638
317 HB THR 47 HB THR 47 4.573 -8.933 -5.808
318 HG1 THR 47 HG1 THR 47 2.688 -10.073 -7.593
319 HG21 THR 47 HG21 THR 47 1.525 -8.971 -5.769
320 HG22 THR 47 HG22 THR 47 2.573 -10.006 -4.769
321 HG23 THR 47 HG23 THR 47 2.595 -8.248 -4.542
322 H CYS 48 H CYS 48 1.576 -6.384 -6.022
323 HA CYS 48 HA CYS 48 3.255 -4.120 -5.150
324 HB2 CYS 48 HB2 CYS 48 1.191 -3.642 -6.334
325 HB3 CYS 48 HB3 CYS 48 0.263 -4.609 -5.189
326 H THR 49 H THR 49 3.728 -3.655 -3.059
327 HA THR 49 HA THR 49 2.403 -5.191 -0.895
328 HB THR 49 HB THR 49 5.409 -4.841 -1.233
329 HG1 THR 49 HG1 THR 49 4.570 -6.494 -2.498
330 HG21 THR 49 HG21 THR 49 3.775 -6.178 0.968
331 HG22 THR 49 HG22 THR 49 5.545 -6.275 0.797
332 HG23 THR 49 HG23 THR 49 4.780 -4.716 1.140
333 H CYS 50 H CYS 50 2.228 -4.052 1.065
334 HA CYS 50 HA CYS 50 2.746 -1.137 0.783
335 HB2 CYS 50 HB2 CYS 50 0.866 -2.586 2.657
336 HB3 CYS 50 HB3 CYS 50 1.036 -0.838 2.453
337 H ILE 51 H ILE 51 3.271 0.066 2.766
338 HA ILE 51 HA ILE 51 5.324 -1.396 4.364
339 HB ILE 51 HB ILE 51 5.045 1.533 3.623
340 HG12 ILE 51 HG12 ILE 51 5.671 0.155 1.688
341 HG13 ILE 51 HG13 ILE 51 6.986 1.215 2.200
342 HG21 ILE 51 HG21 ILE 51 7.372 1.724 4.523
343 HG22 ILE 51 HG22 ILE 51 6.153 1.379 5.756
344 HG23 ILE 51 HG23 ILE 51 7.214 0.071 5.177
345 HD11 ILE 51 HD11 ILE 51 6.756 -1.760 2.841
346 HD12 ILE 51 HD12 ILE 51 7.808 -1.019 1.617
347 HD13 ILE 51 HD13 ILE 51 8.088 -0.693 3.338
348 H ASN 52 H ASN 52 5.382 -1.160 6.595
349 HA ASN 52 HA ASN 52 2.854 -0.631 7.863
350 HB2 ASN 52 HB2 ASN 52 5.619 -1.145 9.027
351 HB3 ASN 52 HB3 ASN 52 4.098 -1.220 9.921
352 HD21 ASN 52 HD21 ASN 52 2.443 -2.827 9.165
353 HD22 ASN 52 HD22 ASN 52 3.021 -4.328 8.476
354 HA PRO 53 HA PRO 53 2.349 -0.112 10.209
355 HB2 PRO 53 HB2 PRO 53 0.553 1.668 11.199
356 HB3 PRO 53 HB3 PRO 53 2.204 1.525 11.883
357 HG2 PRO 53 HG2 PRO 53 1.217 3.506 9.803
358 HG3 PRO 53 HG3 PRO 53 2.103 3.853 11.331
359 HD2 PRO 53 HD2 PRO 53 3.394 3.632 8.933
360 HD3 PRO 53 HD3 PRO 53 4.131 3.000 10.435
361 H CYS 54 H CYS 54 0.045 -0.659 10.003
362 HA CYS 54 HA CYS 54 -1.327 0.439 7.618
363 HB2 CYS 54 HB2 CYS 54 -0.626 -2.452 8.135
364 HB3 CYS 54 HB3 CYS 54 -1.923 -1.969 7.038
365 HA PRO 55 HA PRO 55 -4.011 -0.161 11.423
366 HB2 PRO 55 HB2 PRO 55 -5.250 2.293 11.291
367 HB3 PRO 55 HB3 PRO 55 -3.680 2.018 12.118
368 HG2 PRO 55 HG2 PRO 55 -4.135 2.998 9.278
369 HG3 PRO 55 HG3 PRO 55 -3.100 3.743 10.547
370 HD2 PRO 55 HD2 PRO 55 -2.011 2.123 8.700
371 HD3 PRO 55 HD3 PRO 55 -1.527 1.954 10.418
372 H ARG 56 H ARG 56 -6.401 -0.208 11.492
373 HA ARG 56 HA ARG 56 -7.382 -1.293 8.987
374 HB2 ARG 56 HB2 ARG 56 -8.765 -0.911 11.670
375 HB3 ARG 56 HB3 ARG 56 -9.394 -1.841 10.296
376 HG2 ARG 56 HG2 ARG 56 -7.360 -3.297 10.394
377 HG3 ARG 56 HG3 ARG 56 -6.847 -2.421 11.856
378 HD2 ARG 56 HD2 ARG 56 -8.969 -3.080 12.968
379 HD3 ARG 56 HD3 ARG 56 -9.453 -3.956 11.498
380 HE ARG 56 HE ARG 56 -6.901 -4.903 12.334
381 HH11 ARG 56 HH11 ARG 56 -10.287 -4.976 13.357
382 HH12 ARG 56 HH12 ARG 56 -10.124 -6.496 14.203
383 HH21 ARG 56 HH21 ARG 56 -6.717 -6.890 13.442
384 HH22 ARG 56 HH22 ARG 56 -8.113 -7.582 14.231
385 H CYS 57 H CYS 57 -9.485 -0.765 8.084
386 HA CYS 57 HA CYS 57 -10.382 2.031 8.370
387 HB2 CYS 57 HB2 CYS 57 -8.617 2.124 6.681
388 HB3 CYS 57 HB3 CYS 57 -9.354 0.789 5.796
Start of MODEL 13
1 HA PCA 1 HA PCA 1 -17.349 -2.327 -1.209
2 HB2 PCA 1 HB2 PCA 1 -14.645 -3.592 -0.686
3 HB3 PCA 1 HB3 PCA 1 -15.983 -3.294 0.480
4 HG2 PCA 1 HG2 PCA 1 -17.267 -5.089 -0.416
5 HG3 PCA 1 HG3 PCA 1 -15.617 -5.743 -0.721
6 H ASN 2 H ASN 2 -15.979 -0.602 -0.078
7 HA ASN 2 HA ASN 2 -14.701 1.047 -2.095
8 HB2 ASN 2 HB2 ASN 2 -16.311 1.843 -0.294
9 HB3 ASN 2 HB3 ASN 2 -15.021 1.565 0.886
10 HD21 ASN 2 HD21 ASN 2 -15.268 3.891 1.346
11 HD22 ASN 2 HD22 ASN 2 -14.460 5.053 0.316
12 H CYS 3 H CYS 3 -13.564 -1.556 -0.638
13 HA CYS 3 HA CYS 3 -10.778 -0.586 -0.581
14 HB2 CYS 3 HB2 CYS 3 -10.398 -1.793 1.574
15 HB3 CYS 3 HB3 CYS 3 -11.347 -0.318 1.687
16 HA PRO 4 HA PRO 4 -11.535 -4.638 -2.726
17 HB2 PRO 4 HB2 PRO 4 -10.498 -4.015 -5.148
18 HB3 PRO 4 HB3 PRO 4 -12.119 -3.430 -4.651
19 HG2 PRO 4 HG2 PRO 4 -9.483 -1.937 -4.444
20 HG3 PRO 4 HG3 PRO 4 -11.010 -1.372 -5.200
21 HD2 PRO 4 HD2 PRO 4 -10.366 -0.719 -2.645
22 HD3 PRO 4 HD3 PRO 4 -12.053 -1.093 -3.096
23 H THR 5 H THR 5 -9.825 -5.985 -4.001
24 HA THR 5 HA THR 5 -7.185 -5.693 -2.647
25 HB THR 5 HB THR 5 -8.375 -8.159 -3.951
26 HG1 THR 5 HG1 THR 5 -8.870 -8.783 -1.846
27 HG21 THR 5 HG21 THR 5 -6.670 -9.315 -2.585
28 HG22 THR 5 HG22 THR 5 -5.920 -8.147 -3.693
29 HG23 THR 5 HG23 THR 5 -6.098 -7.748 -1.966
30 H ARG 6 H ARG 6 -5.489 -5.115 -3.936
31 HA ARG 6 HA ARG 6 -5.468 -5.971 -6.784
32 HB2 ARG 6 HB2 ARG 6 -4.870 -3.177 -5.724
33 HB3 ARG 6 HB3 ARG 6 -4.514 -3.717 -7.365
34 HG2 ARG 6 HG2 ARG 6 -7.343 -3.703 -6.225
35 HG3 ARG 6 HG3 ARG 6 -6.602 -2.309 -7.019
36 HD2 ARG 6 HD2 ARG 6 -7.866 -3.411 -8.686
37 HD3 ARG 6 HD3 ARG 6 -6.157 -3.731 -9.032
38 HE ARG 6 HE ARG 6 -7.462 -5.795 -7.431
39 HH11 ARG 6 HH11 ARG 6 -6.834 -4.666 -10.723
40 HH12 ARG 6 HH12 ARG 6 -7.074 -6.240 -11.437
41 HH21 ARG 6 HH21 ARG 6 -7.765 -7.842 -8.387
42 HH22 ARG 6 HH22 ARG 6 -7.590 -8.041 -10.112
43 H ARG 7 H ARG 7 -3.520 -6.788 -7.379
44 HA ARG 7 HA ARG 7 -1.139 -6.228 -5.646
45 HB2 ARG 7 HB2 ARG 7 -2.050 -8.892 -6.794
46 HB3 ARG 7 HB3 ARG 7 -0.499 -8.621 -6.007
47 HG2 ARG 7 HG2 ARG 7 -3.179 -8.233 -4.606
48 HG3 ARG 7 HG3 ARG 7 -2.255 -9.740 -4.612
49 HD2 ARG 7 HD2 ARG 7 -1.677 -8.731 -2.588
50 HD3 ARG 7 HD3 ARG 7 -0.291 -8.419 -3.644
51 HE ARG 7 HE ARG 7 -1.967 -6.203 -3.932
52 HH11 ARG 7 HH11 ARG 7 -0.329 -7.782 -1.228
53 HH12 ARG 7 HH12 ARG 7 -0.215 -6.314 -0.289
54 HH21 ARG 7 HH21 ARG 7 -1.796 -4.311 -2.709
55 HH22 ARG 7 HH22 ARG 7 -1.039 -4.339 -1.136
56 H GLY 8 H GLY 8 -2.518 -6.460 -8.820
57 HA2 GLY 8 HA2 GLY 8 0.047 -6.918 -10.172
58 HA3 GLY 8 HA3 GLY 8 -1.548 -6.739 -10.923
59 H LEU 9 H LEU 9 -0.866 -4.287 -8.605
60 HA LEU 9 HA LEU 9 -1.149 -2.212 -10.519
61 HB2 LEU 9 HB2 LEU 9 -0.012 -2.183 -7.698
62 HB3 LEU 9 HB3 LEU 9 -0.527 -0.748 -8.605
63 HG LEU 9 HG LEU 9 -2.348 -3.092 -7.889
64 HD11 LEU 9 HD11 LEU 9 -2.088 -0.323 -6.654
65 HD12 LEU 9 HD12 LEU 9 -3.324 -1.535 -6.250
66 HD13 LEU 9 HD13 LEU 9 -1.615 -1.869 -5.895
67 HD21 LEU 9 HD21 LEU 9 -2.924 -0.325 -9.035
68 HD22 LEU 9 HD22 LEU 9 -3.102 -1.871 -9.898
69 HD23 LEU 9 HD23 LEU 9 -4.157 -1.495 -8.521
70 H CYS 10 H CYS 10 1.745 -3.888 -9.365
71 HA CYS 10 HA CYS 10 3.547 -1.825 -10.363
72 HB2 CYS 10 HB2 CYS 10 3.969 -4.628 -9.302
73 HB3 CYS 10 HB3 CYS 10 5.280 -3.563 -9.812
74 H VAL 11 H VAL 11 1.570 -3.785 -12.071
75 HA VAL 11 HA VAL 11 3.598 -4.185 -14.238
76 HB VAL 11 HB VAL 11 1.154 -5.887 -13.603
77 HG11 VAL 11 HG11 VAL 11 3.383 -6.199 -15.659
78 HG12 VAL 11 HG12 VAL 11 2.150 -7.426 -15.299
79 HG13 VAL 11 HG13 VAL 11 1.666 -5.876 -16.009
80 HG21 VAL 11 HG21 VAL 11 2.831 -7.620 -13.020
81 HG22 VAL 11 HG22 VAL 11 4.133 -6.424 -13.254
82 HG23 VAL 11 HG23 VAL 11 2.949 -6.217 -11.945
83 H THR 12 H THR 12 0.448 -2.915 -13.302
84 HA THR 12 HA THR 12 -0.234 -2.447 -16.156
85 HB THR 12 HB THR 12 -1.861 -3.561 -14.661
86 HG1 THR 12 HG1 THR 12 -3.584 -2.240 -15.309
87 HG21 THR 12 HG21 THR 12 -1.333 -2.354 -12.571
88 HG22 THR 12 HG22 THR 12 -1.989 -0.850 -13.266
89 HG23 THR 12 HG23 THR 12 -3.062 -2.238 -12.970
90 H SER 13 H SER 13 1.072 -0.807 -13.425
91 HA SER 13 HA SER 13 1.018 1.722 -14.976
92 HB2 SER 13 HB2 SER 13 -1.003 1.658 -13.457
93 HB3 SER 13 HB3 SER 13 0.109 1.565 -12.082
94 HG SER 13 HG SER 13 -0.560 3.728 -12.613
95 H GLY 14 H GLY 14 2.127 -0.129 -12.151
96 HA2 GLY 14 HA2 GLY 14 4.559 -0.329 -11.825
97 HA3 GLY 14 HA3 GLY 14 4.706 1.388 -12.212
98 H LEU 15 H LEU 15 5.868 1.461 -10.133
99 HA LEU 15 HA LEU 15 4.708 0.797 -7.646
100 HB2 LEU 15 HB2 LEU 15 7.098 1.184 -7.995
101 HB3 LEU 15 HB3 LEU 15 6.788 2.864 -8.457
102 HG LEU 15 HG LEU 15 5.975 3.367 -6.184
103 HD11 LEU 15 HD11 LEU 15 6.291 1.687 -4.376
104 HD12 LEU 15 HD12 LEU 15 5.076 1.155 -5.551
105 HD13 LEU 15 HD13 LEU 15 6.719 0.467 -5.600
106 HD21 LEU 15 HD21 LEU 15 8.363 3.627 -6.713
107 HD22 LEU 15 HD22 LEU 15 8.142 3.141 -5.023
108 HD23 LEU 15 HD23 LEU 15 8.661 1.936 -6.226
109 H THR 16 H THR 16 4.200 3.635 -9.710
110 HA THR 16 HA THR 16 3.334 5.439 -7.694
111 HB THR 16 HB THR 16 2.369 5.288 -10.576
112 HG1 THR 16 HG1 THR 16 4.678 6.510 -9.473
113 HG21 THR 16 HG21 THR 16 2.228 7.755 -10.326
114 HG22 THR 16 HG22 THR 16 1.162 6.916 -9.178
115 HG23 THR 16 HG23 THR 16 2.702 7.602 -8.620
116 H ALA 17 H ALA 17 1.490 2.964 -9.583
117 HA ALA 17 HA ALA 17 -1.003 3.812 -8.331
118 HB1 ALA 17 HB1 ALA 17 -0.970 2.855 -10.590
119 HB2 ALA 17 HB2 ALA 17 -0.305 1.332 -9.952
120 HB3 ALA 17 HB3 ALA 17 -1.946 1.854 -9.497
121 H CYS 18 H CYS 18 1.534 1.420 -7.700
122 HA CYS 18 HA CYS 18 0.048 -0.139 -5.799
123 HB2 CYS 18 HB2 CYS 18 2.052 -0.964 -6.919
124 HB3 CYS 18 HB3 CYS 18 3.013 0.347 -6.237
125 H ARG 19 H ARG 19 1.952 2.866 -5.598
126 HA ARG 19 HA ARG 19 1.899 2.930 -2.690
127 HB2 ARG 19 HB2 ARG 19 3.657 3.937 -4.208
128 HB3 ARG 19 HB3 ARG 19 2.477 5.183 -4.651
129 HG2 ARG 19 HG2 ARG 19 2.276 5.851 -2.267
130 HG3 ARG 19 HG3 ARG 19 3.418 4.569 -1.816
131 HD2 ARG 19 HD2 ARG 19 5.143 5.630 -3.265
132 HD3 ARG 19 HD3 ARG 19 4.018 6.941 -3.633
133 HE ARG 19 HE ARG 19 5.325 6.376 -1.018
134 HH11 ARG 19 HH11 ARG 19 3.240 8.468 -2.956
135 HH12 ARG 19 HH12 ARG 19 3.321 9.795 -1.814
136 HH21 ARG 19 HH21 ARG 19 5.406 8.114 0.447
137 HH22 ARG 19 HH22 ARG 19 4.537 9.590 0.106
138 H ASN 20 H ASN 20 0.001 4.332 -5.359
139 HA ASN 20 HA ASN 20 -1.608 6.017 -3.644
140 HB2 ASN 20 HB2 ASN 20 -2.034 4.945 -6.461
141 HB3 ASN 20 HB3 ASN 20 -3.067 6.155 -5.688
142 HD21 ASN 20 HD21 ASN 20 -1.953 6.853 -8.048
143 HD22 ASN 20 HD22 ASN 20 -0.644 7.992 -7.805
144 H HIS 21 H HIS 21 -1.619 2.602 -4.333
145 HA HIS 21 HA HIS 21 -4.421 2.272 -3.493
146 HB2 HIS 21 HB2 HIS 21 -3.472 0.916 -5.300
147 HB3 HIS 21 HB3 HIS 21 -2.215 0.315 -4.213
148 HD1 HIS 21 HD1 HIS 21 -6.080 0.083 -4.555
149 HD2 HIS 21 HD2 HIS 21 -2.756 -1.826 -2.837
150 HE1 HIS 21 HE1 HIS 21 -6.928 -2.115 -3.572
151 H CYS 22 H CYS 22 -1.121 1.907 -2.206
152 HA CYS 22 HA CYS 22 -2.034 0.642 0.257
153 HB2 CYS 22 HB2 CYS 22 0.582 1.902 -0.600
154 HB3 CYS 22 HB3 CYS 22 0.340 1.140 0.966
155 H ARG 23 H ARG 23 -1.587 3.974 -0.875
156 HA ARG 23 HA ARG 23 -1.752 5.036 1.862
157 HB2 ARG 23 HB2 ARG 23 -1.519 6.334 -0.876
158 HB3 ARG 23 HB3 ARG 23 -1.727 7.252 0.637
159 HG2 ARG 23 HG2 ARG 23 0.296 6.219 1.577
160 HG3 ARG 23 HG3 ARG 23 0.526 5.264 0.104
161 HD2 ARG 23 HD2 ARG 23 1.985 7.235 0.097
162 HD3 ARG 23 HD3 ARG 23 0.798 7.324 -1.212
163 HE ARG 23 HE ARG 23 -0.145 9.194 -0.239
164 HH11 ARG 23 HH11 ARG 23 1.950 7.626 2.161
165 HH12 ARG 23 HH12 ARG 23 1.847 8.968 3.270
166 HH21 ARG 23 HH21 ARG 23 -0.264 10.896 1.246
167 HH22 ARG 23 HH22 ARG 23 0.573 10.788 2.780
168 H SER 24 H SER 24 -3.938 3.610 -0.026
169 HA SER 24 HA SER 24 -6.177 5.199 1.136
170 HB2 SER 24 HB2 SER 24 -6.073 3.791 -1.556
171 HB3 SER 24 HB3 SER 24 -7.519 4.533 -0.828
172 HG SER 24 HG SER 24 -6.426 5.933 -2.298
173 H CYS 25 H CYS 25 -8.172 3.689 1.418
174 HA CYS 25 HA CYS 25 -7.122 1.388 2.822
175 HB2 CYS 25 HB2 CYS 25 -9.015 2.865 3.588
176 HB3 CYS 25 HB3 CYS 25 -10.041 2.040 2.405
177 H HIS 26 H HIS 26 -7.239 -0.744 2.342
178 HA HIS 26 HA HIS 26 -8.566 -1.677 -0.135
179 HB2 HIS 26 HB2 HIS 26 -6.383 -2.777 -0.767
180 HB3 HIS 26 HB3 HIS 26 -6.385 -1.008 -0.912
181 HD1 HIS 26 HD1 HIS 26 -4.637 0.300 0.519
182 HD2 HIS 26 HD2 HIS 26 -5.054 -3.780 1.493
183 HE1 HIS 26 HE1 HIS 26 -2.801 -0.237 2.237
184 HE2 HIS 26 HE2 HIS 26 -3.074 -2.718 2.825
185 H ARG 27 H ARG 27 -8.336 -4.153 -0.216
186 HA ARG 27 HA ARG 27 -9.131 -5.158 2.373
187 HB2 ARG 27 HB2 ARG 27 -9.439 -5.883 -0.354
188 HB3 ARG 27 HB3 ARG 27 -8.590 -7.226 0.411
189 HG2 ARG 27 HG2 ARG 27 -11.211 -5.971 1.344
190 HG3 ARG 27 HG3 ARG 27 -11.047 -7.506 0.483
191 HD2 ARG 27 HD2 ARG 27 -9.956 -6.882 3.263
192 HD3 ARG 27 HD3 ARG 27 -11.367 -7.879 2.892
193 HE ARG 27 HE ARG 27 -8.550 -8.634 2.655
194 HH11 ARG 27 HH11 ARG 27 -11.855 -9.387 1.645
195 HH12 ARG 27 HH12 ARG 27 -11.477 -11.056 1.278
196 HH21 ARG 27 HH21 ARG 27 -8.092 -10.777 2.181
197 HH22 ARG 27 HH22 ARG 27 -9.344 -11.847 1.586
198 H GLY 28 H GLY 28 -8.012 -6.287 3.850
199 HA2 GLY 28 HA2 GLY 28 -5.113 -6.779 3.390
200 HA3 GLY 28 HA3 GLY 28 -5.935 -6.628 4.947
201 H ASP 29 H ASP 29 -5.027 -8.623 5.670
202 HA ASP 29 HA ASP 29 -5.691 -11.084 4.204
203 HB2 ASP 29 HB2 ASP 29 -3.465 -10.652 5.251
204 HB3 ASP 29 HB3 ASP 29 -4.241 -10.643 6.835
205 H VAL 30 H VAL 30 -7.039 -9.171 6.770
206 HA VAL 30 HA VAL 30 -9.008 -11.329 7.307
207 HB VAL 30 HB VAL 30 -7.213 -11.393 9.019
208 HG11 VAL 30 HG11 VAL 30 -8.213 -8.605 9.765
209 HG12 VAL 30 HG12 VAL 30 -7.031 -9.575 10.664
210 HG13 VAL 30 HG13 VAL 30 -6.627 -8.979 9.044
211 HG21 VAL 30 HG21 VAL 30 -9.548 -12.064 9.553
212 HG22 VAL 30 HG22 VAL 30 -8.659 -11.434 10.962
213 HG23 VAL 30 HG23 VAL 30 -9.863 -10.414 10.152
214 H GLY 31 H GLY 31 -8.333 -8.026 6.642
215 HA2 GLY 31 HA2 GLY 31 -11.073 -7.305 6.421
216 HA3 GLY 31 HA3 GLY 31 -10.424 -6.660 7.945
217 H CYS 32 H CYS 32 -11.177 -4.734 6.236
218 HA CYS 32 HA CYS 32 -9.054 -4.095 4.354
219 HB2 CYS 32 HB2 CYS 32 -11.496 -2.563 5.273
220 HB3 CYS 32 HB3 CYS 32 -10.323 -1.959 4.096
221 H VAL 33 H VAL 33 -7.519 -2.542 4.442
222 HA VAL 33 HA VAL 33 -7.128 -0.982 6.918
223 HB VAL 33 HB VAL 33 -4.780 -1.751 7.098
224 HG11 VAL 33 HG11 VAL 33 -6.754 -4.057 7.292
225 HG12 VAL 33 HG12 VAL 33 -5.215 -3.890 8.161
226 HG13 VAL 33 HG13 VAL 33 -6.555 -2.773 8.505
227 HG21 VAL 33 HG21 VAL 33 -4.466 -2.546 4.781
228 HG22 VAL 33 HG22 VAL 33 -4.064 -3.807 5.973
229 HG23 VAL 33 HG23 VAL 33 -5.601 -3.878 5.079
230 H ARG 34 H ARG 34 -5.312 0.546 6.687
231 HA ARG 34 HA ARG 34 -4.639 1.290 3.891
232 HB2 ARG 34 HB2 ARG 34 -4.959 3.690 4.607
233 HB3 ARG 34 HB3 ARG 34 -6.456 2.756 4.476
234 HG2 ARG 34 HG2 ARG 34 -6.467 2.372 6.919
235 HG3 ARG 34 HG3 ARG 34 -4.978 3.327 7.081
236 HD2 ARG 34 HD2 ARG 34 -6.108 5.315 6.284
237 HD3 ARG 34 HD3 ARG 34 -7.573 4.383 5.891
238 HE ARG 34 HE ARG 34 -7.212 3.864 8.558
239 HH11 ARG 34 HH11 ARG 34 -7.444 6.848 6.678
240 HH12 ARG 34 HH12 ARG 34 -8.162 7.754 7.991
241 HH21 ARG 34 HH21 ARG 34 -8.145 5.056 10.242
242 HH22 ARG 34 HH22 ARG 34 -8.535 6.749 10.019
243 H CYS 35 H CYS 35 -2.555 2.244 3.689
244 HA CYS 35 HA CYS 35 -0.858 1.885 6.119
245 HB2 CYS 35 HB2 CYS 35 -0.191 1.181 3.256
246 HB3 CYS 35 HB3 CYS 35 0.839 0.921 4.657
247 H SER 36 H SER 36 1.550 2.685 5.170
248 HA SER 36 HA SER 36 1.051 5.596 4.804
249 HB2 SER 36 HB2 SER 36 2.191 4.708 6.867
250 HB3 SER 36 HB3 SER 36 3.521 4.162 5.832
251 HG SER 36 HG SER 36 3.871 6.260 6.718
252 H ASN 37 H ASN 37 2.961 2.869 3.468
253 HA ASN 37 HA ASN 37 3.561 4.477 1.084
254 HB2 ASN 37 HB2 ASN 37 5.334 4.918 2.880
255 HB3 ASN 37 HB3 ASN 37 5.819 3.232 2.696
256 HD21 ASN 37 HD21 ASN 37 7.908 4.387 2.155
257 HD22 ASN 37 HD22 ASN 37 8.160 4.824 0.476
258 H ALA 38 H ALA 38 5.220 2.857 -0.304
259 HA ALA 38 HA ALA 38 4.341 0.065 -0.045
260 HB1 ALA 38 HB1 ALA 38 2.481 1.255 -1.233
261 HB2 ALA 38 HB2 ALA 38 3.649 1.715 -2.502
262 HB3 ALA 38 HB3 ALA 38 3.272 0.003 -2.223
263 H GLN 39 H GLN 39 5.268 -1.301 -1.776
264 HA GLN 39 HA GLN 39 7.332 -0.182 -3.502
265 HB2 GLN 39 HB2 GLN 39 9.098 -1.673 -2.702
266 HB3 GLN 39 HB3 GLN 39 8.598 -0.564 -1.412
267 HG2 GLN 39 HG2 GLN 39 7.266 -2.314 -0.356
268 HG3 GLN 39 HG3 GLN 39 7.583 -3.420 -1.714
269 HE21 GLN 39 HE21 GLN 39 9.412 -1.408 0.682
270 HE22 GLN 39 HE22 GLN 39 10.668 -2.600 0.946
271 H CYS 40 H CYS 40 8.173 -1.911 -4.995
272 HA CYS 40 HA CYS 40 6.017 -3.872 -5.539
273 HB2 CYS 40 HB2 CYS 40 8.307 -2.863 -7.236
274 HB3 CYS 40 HB3 CYS 40 7.144 -4.100 -7.740
275 H THR 41 H THR 41 6.400 -6.066 -5.711
276 HA THR 41 HA THR 41 9.033 -7.099 -4.770
277 HB THR 41 HB THR 41 7.848 -8.581 -3.196
278 HG1 THR 41 HG1 THR 41 5.659 -8.129 -2.778
279 HG21 THR 41 HG21 THR 41 7.159 -5.652 -2.721
280 HG22 THR 41 HG22 THR 41 7.317 -6.931 -1.491
281 HG23 THR 41 HG23 THR 41 8.741 -6.393 -2.406
282 H GLY 42 H GLY 42 8.682 -9.694 -4.684
283 HA2 GLY 42 HA2 GLY 42 8.247 -11.640 -5.860
284 HA3 GLY 42 HA3 GLY 42 7.046 -10.776 -6.827
285 H PHE 43 H PHE 43 8.340 -12.409 -8.361
286 HA PHE 43 HA PHE 43 10.935 -11.595 -9.254
287 HB2 PHE 43 HB2 PHE 43 9.912 -13.845 -9.600
288 HB3 PHE 43 HB3 PHE 43 8.784 -13.134 -10.751
289 HD1 PHE 43 HD1 PHE 43 9.573 -12.337 -12.964
290 HD2 PHE 43 HD2 PHE 43 12.260 -14.177 -10.155
291 HE1 PHE 43 HE1 PHE 43 11.247 -12.649 -14.764
292 HE2 PHE 43 HE2 PHE 43 13.923 -14.504 -11.957
293 HZ PHE 43 HZ PHE 43 13.428 -13.730 -14.263
294 H LEU 44 H LEU 44 11.586 -10.237 -10.854
295 HA LEU 44 HA LEU 44 11.570 -8.376 -12.082
296 HB2 LEU 44 HB2 LEU 44 10.633 -10.203 -13.576
297 HB3 LEU 44 HB3 LEU 44 9.043 -9.472 -13.351
298 HG LEU 44 HG LEU 44 9.953 -7.324 -14.325
299 HD11 LEU 44 HD11 LEU 44 12.400 -9.076 -14.834
300 HD12 LEU 44 HD12 LEU 44 12.114 -7.478 -15.566
301 HD13 LEU 44 HD13 LEU 44 12.350 -7.621 -13.815
302 HD21 LEU 44 HD21 LEU 44 8.769 -8.986 -15.705
303 HD22 LEU 44 HD22 LEU 44 10.046 -8.170 -16.631
304 HD23 LEU 44 HD23 LEU 44 10.302 -9.827 -16.012
305 H GLY 45 H GLY 45 9.814 -8.408 -9.527
306 HA2 GLY 45 HA2 GLY 45 8.748 -6.758 -8.361
307 HA3 GLY 45 HA3 GLY 45 9.053 -5.650 -9.716
308 H THR 46 H THR 46 7.302 -8.673 -10.273
309 HA THR 46 HA THR 46 5.120 -7.141 -11.382
310 HB THR 46 HB THR 46 4.188 -9.382 -11.966
311 HG1 THR 46 HG1 THR 46 6.615 -10.374 -10.898
312 HG21 THR 46 HG21 THR 46 6.021 -9.974 -13.529
313 HG22 THR 46 HG22 THR 46 5.691 -8.227 -13.504
314 HG23 THR 46 HG23 THR 46 7.108 -8.865 -12.649
315 H THR 47 H THR 47 5.583 -7.509 -8.224
316 HA THR 47 HA THR 47 2.663 -7.838 -7.700
317 HB THR 47 HB THR 47 4.935 -8.879 -5.961
318 HG1 THR 47 HG1 THR 47 4.594 -10.115 -7.835
319 HG21 THR 47 HG21 THR 47 3.063 -10.017 -4.752
320 HG22 THR 47 HG22 THR 47 3.015 -8.251 -4.605
321 HG23 THR 47 HG23 THR 47 1.907 -9.078 -5.730
322 H CYS 48 H CYS 48 1.847 -6.623 -5.937
323 HA CYS 48 HA CYS 48 3.516 -4.257 -5.218
324 HB2 CYS 48 HB2 CYS 48 1.569 -3.671 -6.505
325 HB3 CYS 48 HB3 CYS 48 0.535 -4.687 -5.503
326 H THR 49 H THR 49 3.785 -3.692 -3.092
327 HA THR 49 HA THR 49 2.331 -5.198 -0.997
328 HB THR 49 HB THR 49 5.367 -5.003 -1.215
329 HG1 THR 49 HG1 THR 49 4.446 -6.653 -2.448
330 HG21 THR 49 HG21 THR 49 3.582 -6.151 0.980
331 HG22 THR 49 HG22 THR 49 5.340 -6.403 0.849
332 HG23 THR 49 HG23 THR 49 4.711 -4.774 1.131
333 H CYS 50 H CYS 50 2.154 -4.063 0.972
334 HA CYS 50 HA CYS 50 2.724 -1.163 0.707
335 HB2 CYS 50 HB2 CYS 50 0.842 -2.618 2.586
336 HB3 CYS 50 HB3 CYS 50 1.000 -0.871 2.396
337 H ILE 51 H ILE 51 3.203 0.013 2.739
338 HA ILE 51 HA ILE 51 5.243 -1.468 4.336
339 HB ILE 51 HB ILE 51 5.048 1.458 3.550
340 HG12 ILE 51 HG12 ILE 51 5.682 0.036 1.642
341 HG13 ILE 51 HG13 ILE 51 7.027 1.054 2.177
342 HG21 ILE 51 HG21 ILE 51 7.358 1.606 4.492
343 HG22 ILE 51 HG22 ILE 51 6.095 1.317 5.700
344 HG23 ILE 51 HG23 ILE 51 7.145 -0.025 5.176
345 HD11 ILE 51 HD11 ILE 51 7.773 -1.213 1.638
346 HD12 ILE 51 HD12 ILE 51 8.025 -0.880 3.360
347 HD13 ILE 51 HD13 ILE 51 6.658 -1.901 2.836
348 H ASN 52 H ASN 52 5.288 -1.223 6.558
349 HA ASN 52 HA ASN 52 2.774 -0.649 7.806
350 HB2 ASN 52 HB2 ASN 52 3.975 -1.264 9.870
351 HB3 ASN 52 HB3 ASN 52 4.281 -2.424 8.575
352 HD21 ASN 52 HD21 ASN 52 5.678 0.056 10.649
353 HD22 ASN 52 HD22 ASN 52 7.342 -0.208 10.168
354 HA PRO 53 HA PRO 53 2.261 -0.155 10.120
355 HB2 PRO 53 HB2 PRO 53 0.512 1.599 11.201
356 HB3 PRO 53 HB3 PRO 53 2.183 1.439 11.829
357 HG2 PRO 53 HG2 PRO 53 1.139 3.477 9.824
358 HG3 PRO 53 HG3 PRO 53 2.059 3.793 11.332
359 HD2 PRO 53 HD2 PRO 53 3.287 3.616 8.902
360 HD3 PRO 53 HD3 PRO 53 4.065 2.968 10.380
361 H CYS 54 H CYS 54 -0.051 -0.683 9.932
362 HA CYS 54 HA CYS 54 -1.406 0.438 7.552
363 HB2 CYS 54 HB2 CYS 54 -0.769 -2.469 8.087
364 HB3 CYS 54 HB3 CYS 54 -2.029 -1.957 6.969
365 HA PRO 55 HA PRO 55 -4.147 -0.170 11.335
366 HB2 PRO 55 HB2 PRO 55 -5.199 2.356 11.395
367 HB3 PRO 55 HB3 PRO 55 -3.621 1.946 12.146
368 HG2 PRO 55 HG2 PRO 55 -4.101 3.090 9.372
369 HG3 PRO 55 HG3 PRO 55 -3.017 3.733 10.649
370 HD2 PRO 55 HD2 PRO 55 -2.018 2.146 8.718
371 HD3 PRO 55 HD3 PRO 55 -1.519 1.879 10.414
372 H ARG 56 H ARG 56 -6.561 0.112 11.392
373 HA ARG 56 HA ARG 56 -7.695 -0.677 8.825
374 HB2 ARG 56 HB2 ARG 56 -8.967 -0.275 11.559
375 HB3 ARG 56 HB3 ARG 56 -9.763 -0.981 10.139
376 HG2 ARG 56 HG2 ARG 56 -7.983 -2.742 10.056
377 HG3 ARG 56 HG3 ARG 56 -7.323 -2.096 11.581
378 HD2 ARG 56 HD2 ARG 56 -9.518 -2.509 12.668
379 HD3 ARG 56 HD3 ARG 56 -10.122 -3.193 11.140
380 HE ARG 56 HE ARG 56 -7.727 -4.544 11.872
381 HH11 ARG 56 HH11 ARG 56 -11.089 -4.241 12.900
382 HH12 ARG 56 HH12 ARG 56 -11.140 -5.831 13.626
383 HH21 ARG 56 HH21 ARG 56 -7.825 -6.633 12.794
384 HH22 ARG 56 HH22 ARG 56 -9.300 -7.182 13.559
385 H CYS 57 H CYS 57 -9.959 0.277 8.264
386 HA CYS 57 HA CYS 57 -9.871 3.238 8.515
387 HB2 CYS 57 HB2 CYS 57 -10.332 3.507 6.200
388 HB3 CYS 57 HB3 CYS 57 -8.943 2.434 6.330
Start of MODEL 14
1 HA PCA 1 HA PCA 1 -17.765 -1.394 0.182
2 HB2 PCA 1 HB2 PCA 1 -15.420 -2.790 -0.050
3 HB3 PCA 1 HB3 PCA 1 -16.906 -3.290 -0.932
4 HG2 PCA 1 HG2 PCA 1 -15.470 -3.030 -2.779
5 HG3 PCA 1 HG3 PCA 1 -14.558 -1.694 -1.977
6 H ASN 2 H ASN 2 -15.963 1.061 -1.190
7 HA ASN 2 HA ASN 2 -14.460 2.588 -0.539
8 HB2 ASN 2 HB2 ASN 2 -15.304 1.833 2.280
9 HB3 ASN 2 HB3 ASN 2 -14.449 3.305 1.808
10 HD21 ASN 2 HD21 ASN 2 -17.493 1.485 1.345
11 HD22 ASN 2 HD22 ASN 2 -18.488 2.893 1.005
12 H CYS 3 H CYS 3 -13.853 -0.597 -0.088
13 HA CYS 3 HA CYS 3 -10.978 -0.046 0.044
14 HB2 CYS 3 HB2 CYS 3 -10.601 -1.778 1.780
15 HB3 CYS 3 HB3 CYS 3 -11.385 -0.314 2.373
16 HA PRO 4 HA PRO 4 -12.337 -3.330 -2.927
17 HB2 PRO 4 HB2 PRO 4 -11.187 -2.312 -5.163
18 HB3 PRO 4 HB3 PRO 4 -12.722 -1.644 -4.507
19 HG2 PRO 4 HG2 PRO 4 -9.906 -0.626 -4.038
20 HG3 PRO 4 HG3 PRO 4 -11.329 0.314 -4.600
21 HD2 PRO 4 HD2 PRO 4 -10.598 0.243 -1.979
22 HD3 PRO 4 HD3 PRO 4 -12.333 0.227 -2.446
23 H THR 5 H THR 5 -10.880 -4.656 -4.460
24 HA THR 5 HA THR 5 -8.191 -4.975 -3.209
25 HB THR 5 HB THR 5 -9.824 -7.043 -4.721
26 HG1 THR 5 HG1 THR 5 -10.298 -7.836 -2.666
27 HG21 THR 5 HG21 THR 5 -7.383 -7.465 -4.637
28 HG22 THR 5 HG22 THR 5 -7.402 -7.242 -2.871
29 HG23 THR 5 HG23 THR 5 -8.258 -8.618 -3.608
30 H ARG 6 H ARG 6 -6.467 -4.521 -4.476
31 HA ARG 6 HA ARG 6 -6.650 -4.973 -7.408
32 HB2 ARG 6 HB2 ARG 6 -5.590 -2.452 -6.054
33 HB3 ARG 6 HB3 ARG 6 -5.396 -2.843 -7.764
34 HG2 ARG 6 HG2 ARG 6 -8.084 -2.464 -6.380
35 HG3 ARG 6 HG3 ARG 6 -7.229 -1.227 -7.306
36 HD2 ARG 6 HD2 ARG 6 -7.253 -2.738 -9.294
37 HD3 ARG 6 HD3 ARG 6 -8.241 -3.891 -8.379
38 HE ARG 6 HE ARG 6 -9.062 -1.238 -9.413
39 HH11 ARG 6 HH11 ARG 6 -9.928 -4.113 -7.531
40 HH12 ARG 6 HH12 ARG 6 -11.646 -3.804 -7.639
41 HH21 ARG 6 HH21 ARG 6 -11.296 -0.858 -9.516
42 HH22 ARG 6 HH22 ARG 6 -12.415 -1.962 -8.741
43 H ARG 7 H ARG 7 -4.841 -5.919 -8.206
44 HA ARG 7 HA ARG 7 -2.367 -6.011 -6.550
45 HB2 ARG 7 HB2 ARG 7 -3.870 -8.404 -7.665
46 HB3 ARG 7 HB3 ARG 7 -2.238 -8.457 -6.975
47 HG2 ARG 7 HG2 ARG 7 -4.747 -7.606 -5.466
48 HG3 ARG 7 HG3 ARG 7 -3.951 -9.183 -5.362
49 HD2 ARG 7 HD2 ARG 7 -1.871 -8.064 -4.564
50 HD3 ARG 7 HD3 ARG 7 -2.703 -6.504 -4.579
51 HE ARG 7 HE ARG 7 -3.172 -8.793 -2.757
52 HH11 ARG 7 HH11 ARG 7 -4.015 -5.464 -3.664
53 HH12 ARG 7 HH12 ARG 7 -4.830 -5.143 -2.158
54 HH21 ARG 7 HH21 ARG 7 -4.276 -8.340 -0.820
55 HH22 ARG 7 HH22 ARG 7 -4.995 -6.769 -0.560
56 H GLY 8 H GLY 8 -0.496 -6.809 -7.853
57 HA2 GLY 8 HA2 GLY 8 0.761 -6.957 -9.768
58 HA3 GLY 8 HA3 GLY 8 -0.732 -7.096 -10.712
59 H LEU 9 H LEU 9 -0.561 -4.310 -8.639
60 HA LEU 9 HA LEU 9 -0.886 -2.481 -10.770
61 HB2 LEU 9 HB2 LEU 9 -0.008 -2.189 -7.875
62 HB3 LEU 9 HB3 LEU 9 -0.374 -0.797 -8.911
63 HG LEU 9 HG LEU 9 -2.359 -3.047 -8.368
64 HD11 LEU 9 HD11 LEU 9 -2.154 -0.309 -7.060
65 HD12 LEU 9 HD12 LEU 9 -3.415 -1.526 -6.770
66 HD13 LEU 9 HD13 LEU 9 -1.749 -1.861 -6.273
67 HD21 LEU 9 HD21 LEU 9 -2.661 -0.212 -9.447
68 HD22 LEU 9 HD22 LEU 9 -2.790 -1.700 -10.418
69 HD23 LEU 9 HD23 LEU 9 -3.993 -1.351 -9.159
70 H CYS 10 H CYS 10 2.038 -3.854 -9.400
71 HA CYS 10 HA CYS 10 3.807 -1.750 -10.307
72 HB2 CYS 10 HB2 CYS 10 4.236 -4.600 -9.374
73 HB3 CYS 10 HB3 CYS 10 5.558 -3.540 -9.858
74 H VAL 11 H VAL 11 1.945 -3.812 -12.134
75 HA VAL 11 HA VAL 11 4.001 -3.890 -14.296
76 HB VAL 11 HB VAL 11 1.830 -5.945 -13.712
77 HG11 VAL 11 HG11 VAL 11 3.029 -7.276 -15.450
78 HG12 VAL 11 HG12 VAL 11 2.296 -5.809 -16.112
79 HG13 VAL 11 HG13 VAL 11 4.049 -5.858 -15.798
80 HG21 VAL 11 HG21 VAL 11 3.740 -7.440 -13.191
81 HG22 VAL 11 HG22 VAL 11 4.859 -6.070 -13.392
82 HG23 VAL 11 HG23 VAL 11 3.669 -6.071 -12.070
83 H THR 12 H THR 12 0.730 -3.056 -13.300
84 HA THR 12 HA THR 12 -0.105 -2.697 -16.118
85 HB THR 12 HB THR 12 -2.341 -2.319 -15.138
86 HG1 THR 12 HG1 THR 12 -2.567 -2.701 -12.906
87 HG21 THR 12 HG21 THR 12 -2.710 -4.612 -14.346
88 HG22 THR 12 HG22 THR 12 -1.598 -4.608 -15.731
89 HG23 THR 12 HG23 THR 12 -0.964 -4.829 -14.084
90 H SER 13 H SER 13 1.024 -0.813 -13.392
91 HA SER 13 HA SER 13 0.652 1.651 -14.982
92 HB2 SER 13 HB2 SER 13 -0.529 1.071 -12.246
93 HB3 SER 13 HB3 SER 13 -0.184 2.717 -12.800
94 HG SER 13 HG SER 13 -1.831 0.817 -14.131
95 H GLY 14 H GLY 14 2.211 -0.145 -12.371
96 HA2 GLY 14 HA2 GLY 14 4.583 0.188 -12.020
97 HA3 GLY 14 HA3 GLY 14 4.365 1.921 -12.279
98 H LEU 15 H LEU 15 5.682 1.526 -10.099
99 HA LEU 15 HA LEU 15 4.343 0.668 -7.767
100 HB2 LEU 15 HB2 LEU 15 6.762 0.883 -7.913
101 HB3 LEU 15 HB3 LEU 15 6.633 2.624 -8.217
102 HG LEU 15 HG LEU 15 5.740 2.997 -5.975
103 HD11 LEU 15 HD11 LEU 15 5.712 1.171 -4.303
104 HD12 LEU 15 HD12 LEU 15 4.562 0.840 -5.610
105 HD13 LEU 15 HD13 LEU 15 6.127 -0.001 -5.585
106 HD21 LEU 15 HD21 LEU 15 8.190 3.005 -6.324
107 HD22 LEU 15 HD22 LEU 15 7.766 2.426 -4.700
108 HD23 LEU 15 HD23 LEU 15 8.244 1.263 -5.959
109 H THR 16 H THR 16 4.206 3.780 -9.470
110 HA THR 16 HA THR 16 3.309 5.384 -7.312
111 HB THR 16 HB THR 16 2.530 5.611 -10.239
112 HG1 THR 16 HG1 THR 16 4.422 6.860 -10.372
113 HG21 THR 16 HG21 THR 16 1.297 7.138 -8.764
114 HG22 THR 16 HG22 THR 16 2.818 7.670 -8.012
115 HG23 THR 16 HG23 THR 16 2.487 8.041 -9.725
116 H ALA 17 H ALA 17 1.557 3.076 -9.415
117 HA ALA 17 HA ALA 17 -1.050 4.005 -8.511
118 HB1 ALA 17 HB1 ALA 17 -0.193 1.477 -9.972
119 HB2 ALA 17 HB2 ALA 17 -1.865 2.054 -9.777
120 HB3 ALA 17 HB3 ALA 17 -0.704 3.010 -10.729
121 H CYS 18 H CYS 18 1.299 1.511 -7.506
122 HA CYS 18 HA CYS 18 -0.627 0.259 -5.707
123 HB2 CYS 18 HB2 CYS 18 1.286 -0.982 -6.704
124 HB3 CYS 18 HB3 CYS 18 2.403 0.059 -5.804
125 H ARG 19 H ARG 19 1.751 2.887 -5.543
126 HA ARG 19 HA ARG 19 1.805 3.036 -2.666
127 HB2 ARG 19 HB2 ARG 19 3.471 4.016 -4.318
128 HB3 ARG 19 HB3 ARG 19 2.273 5.275 -4.676
129 HG2 ARG 19 HG2 ARG 19 2.245 5.934 -2.284
130 HG3 ARG 19 HG3 ARG 19 3.411 4.644 -1.916
131 HD2 ARG 19 HD2 ARG 19 5.043 5.695 -3.457
132 HD3 ARG 19 HD3 ARG 19 3.901 7.005 -3.779
133 HE ARG 19 HE ARG 19 5.378 6.478 -1.253
134 HH11 ARG 19 HH11 ARG 19 3.085 8.515 -3.023
135 HH12 ARG 19 HH12 ARG 19 3.246 9.857 -1.914
136 HH21 ARG 19 HH21 ARG 19 5.568 8.244 0.167
137 HH22 ARG 19 HH22 ARG 19 4.643 9.700 -0.104
138 H ASN 20 H ASN 20 -0.237 4.397 -5.231
139 HA ASN 20 HA ASN 20 -1.776 6.086 -3.439
140 HB2 ASN 20 HB2 ASN 20 -2.340 5.005 -6.236
141 HB3 ASN 20 HB3 ASN 20 -3.320 6.218 -5.412
142 HD21 ASN 20 HD21 ASN 20 -2.203 6.768 -7.878
143 HD22 ASN 20 HD22 ASN 20 -0.929 7.959 -7.700
144 H HIS 21 H HIS 21 -1.938 2.695 -4.502
145 HA HIS 21 HA HIS 21 -4.611 2.276 -3.439
146 HB2 HIS 21 HB2 HIS 21 -3.653 0.987 -5.316
147 HB3 HIS 21 HB3 HIS 21 -2.408 0.348 -4.246
148 HD1 HIS 21 HD1 HIS 21 -6.298 0.267 -4.449
149 HD2 HIS 21 HD2 HIS 21 -2.973 -1.893 -3.058
150 HE1 HIS 21 HE1 HIS 21 -7.189 -1.967 -3.589
151 H CYS 22 H CYS 22 -1.258 1.826 -2.257
152 HA CYS 22 HA CYS 22 -2.075 0.491 0.177
153 HB2 CYS 22 HB2 CYS 22 0.469 1.843 -0.729
154 HB3 CYS 22 HB3 CYS 22 0.305 1.101 0.860
155 H ARG 23 H ARG 23 -1.607 3.909 -0.776
156 HA ARG 23 HA ARG 23 -1.726 4.803 2.011
157 HB2 ARG 23 HB2 ARG 23 -1.649 6.240 -0.663
158 HB3 ARG 23 HB3 ARG 23 -1.839 7.086 0.885
159 HG2 ARG 23 HG2 ARG 23 0.235 6.113 1.737
160 HG3 ARG 23 HG3 ARG 23 0.451 5.169 0.253
161 HD2 ARG 23 HD2 ARG 23 1.860 7.178 0.192
162 HD3 ARG 23 HD3 ARG 23 0.620 7.240 -1.067
163 HE ARG 23 HE ARG 23 -0.320 9.086 -0.048
164 HH11 ARG 23 HH11 ARG 23 1.900 7.554 2.256
165 HH12 ARG 23 HH12 ARG 23 1.801 8.878 3.392
166 HH21 ARG 23 HH21 ARG 23 -0.438 10.768 1.466
167 HH22 ARG 23 HH22 ARG 23 0.474 10.680 2.956
168 H SER 24 H SER 24 -4.011 3.982 -0.440
169 HA SER 24 HA SER 24 -6.198 5.295 1.083
170 HB2 SER 24 HB2 SER 24 -6.107 5.516 -1.415
171 HB3 SER 24 HB3 SER 24 -6.311 3.751 -1.526
172 HG SER 24 HG SER 24 -8.303 4.896 -1.652
173 H CYS 25 H CYS 25 -8.208 3.731 1.332
174 HA CYS 25 HA CYS 25 -7.126 1.434 2.779
175 HB2 CYS 25 HB2 CYS 25 -8.974 2.925 3.617
176 HB3 CYS 25 HB3 CYS 25 -10.047 2.139 2.446
177 H HIS 26 H HIS 26 -7.340 -0.711 2.321
178 HA HIS 26 HA HIS 26 -8.664 -1.535 -0.189
179 HB2 HIS 26 HB2 HIS 26 -6.493 -2.648 -0.856
180 HB3 HIS 26 HB3 HIS 26 -6.460 -0.882 -0.939
181 HD1 HIS 26 HD1 HIS 26 -4.689 0.343 0.558
182 HD2 HIS 26 HD2 HIS 26 -5.210 -3.756 1.392
183 HE1 HIS 26 HE1 HIS 26 -2.866 -0.297 2.258
184 HE2 HIS 26 HE2 HIS 26 -3.210 -2.791 2.764
185 H ARG 27 H ARG 27 -8.417 -3.983 -0.420
186 HA ARG 27 HA ARG 27 -9.229 -5.177 2.084
187 HB2 ARG 27 HB2 ARG 27 -10.157 -5.723 -0.188
188 HB3 ARG 27 HB3 ARG 27 -8.626 -6.497 -0.591
189 HG2 ARG 27 HG2 ARG 27 -10.368 -8.112 0.132
190 HG3 ARG 27 HG3 ARG 27 -8.930 -8.170 1.160
191 HD2 ARG 27 HD2 ARG 27 -10.038 -6.967 2.924
192 HD3 ARG 27 HD3 ARG 27 -11.355 -6.473 1.853
193 HE ARG 27 HE ARG 27 -12.442 -8.426 2.323
194 HH11 ARG 27 HH11 ARG 27 -8.995 -8.996 3.010
195 HH12 ARG 27 HH12 ARG 27 -9.298 -10.573 3.683
196 HH21 ARG 27 HH21 ARG 27 -12.766 -10.479 3.209
197 HH22 ARG 27 HH22 ARG 27 -11.407 -11.411 3.789
198 H GLY 28 H GLY 28 -7.942 -5.974 3.604
199 HA2 GLY 28 HA2 GLY 28 -5.109 -6.583 3.071
200 HA3 GLY 28 HA3 GLY 28 -5.928 -6.521 4.635
201 H ASP 29 H ASP 29 -4.788 -8.584 5.055
202 HA ASP 29 HA ASP 29 -5.627 -10.921 3.501
203 HB2 ASP 29 HB2 ASP 29 -3.325 -10.566 4.388
204 HB3 ASP 29 HB3 ASP 29 -3.962 -10.668 6.030
205 H VAL 30 H VAL 30 -6.777 -9.204 6.290
206 HA VAL 30 HA VAL 30 -8.645 -11.440 6.878
207 HB VAL 30 HB VAL 30 -6.709 -11.542 8.425
208 HG11 VAL 30 HG11 VAL 30 -6.173 -9.121 8.518
209 HG12 VAL 30 HG12 VAL 30 -7.695 -8.823 9.389
210 HG13 VAL 30 HG13 VAL 30 -6.422 -9.805 10.139
211 HG21 VAL 30 HG21 VAL 30 -9.263 -10.697 9.835
212 HG22 VAL 30 HG22 VAL 30 -8.978 -12.298 9.106
213 HG23 VAL 30 HG23 VAL 30 -7.971 -11.745 10.461
214 H GLY 31 H GLY 31 -8.137 -8.101 6.308
215 HA2 GLY 31 HA2 GLY 31 -10.901 -7.455 6.377
216 HA3 GLY 31 HA3 GLY 31 -10.141 -6.868 7.869
217 H CYS 32 H CYS 32 -11.089 -4.854 6.402
218 HA CYS 32 HA CYS 32 -9.154 -4.022 4.381
219 HB2 CYS 32 HB2 CYS 32 -11.622 -2.709 5.554
220 HB3 CYS 32 HB3 CYS 32 -10.559 -1.939 4.367
221 H VAL 33 H VAL 33 -7.599 -2.548 4.492
222 HA VAL 33 HA VAL 33 -7.180 -0.947 6.932
223 HB VAL 33 HB VAL 33 -4.827 -1.728 7.120
224 HG11 VAL 33 HG11 VAL 33 -6.820 -4.009 7.417
225 HG12 VAL 33 HG12 VAL 33 -5.261 -3.833 8.246
226 HG13 VAL 33 HG13 VAL 33 -6.574 -2.687 8.583
227 HG21 VAL 33 HG21 VAL 33 -4.136 -3.819 6.050
228 HG22 VAL 33 HG22 VAL 33 -5.681 -3.923 5.178
229 HG23 VAL 33 HG23 VAL 33 -4.544 -2.602 4.823
230 H ARG 34 H ARG 34 -5.344 0.585 6.647
231 HA ARG 34 HA ARG 34 -4.557 1.046 3.826
232 HB2 ARG 34 HB2 ARG 34 -4.921 3.411 4.024
233 HB3 ARG 34 HB3 ARG 34 -6.442 2.585 4.401
234 HG2 ARG 34 HG2 ARG 34 -5.948 2.832 6.843
235 HG3 ARG 34 HG3 ARG 34 -4.489 3.758 6.423
236 HD2 ARG 34 HD2 ARG 34 -7.365 4.497 5.741
237 HD3 ARG 34 HD3 ARG 34 -6.315 5.284 6.932
238 HE ARG 34 HE ARG 34 -5.110 5.262 4.306
239 HH11 ARG 34 HH11 ARG 34 -7.518 6.956 6.287
240 HH12 ARG 34 HH12 ARG 34 -7.385 8.435 5.367
241 HH21 ARG 34 HH21 ARG 34 -4.971 7.193 3.142
242 HH22 ARG 34 HH22 ARG 34 -5.926 8.583 3.614
243 H CYS 35 H CYS 35 -2.484 2.089 3.623
244 HA CYS 35 HA CYS 35 -0.814 1.777 6.079
245 HB2 CYS 35 HB2 CYS 35 -0.138 1.058 3.218
246 HB3 CYS 35 HB3 CYS 35 0.898 0.814 4.622
247 H SER 36 H SER 36 1.607 2.589 5.068
248 HA SER 36 HA SER 36 1.062 5.494 4.735
249 HB2 SER 36 HB2 SER 36 2.225 4.639 6.786
250 HB3 SER 36 HB3 SER 36 3.551 4.082 5.752
251 HG SER 36 HG SER 36 3.918 6.183 6.601
252 H ASN 37 H ASN 37 2.981 2.804 3.360
253 HA ASN 37 HA ASN 37 3.507 4.416 0.960
254 HB2 ASN 37 HB2 ASN 37 5.312 4.916 2.706
255 HB3 ASN 37 HB3 ASN 37 5.840 3.244 2.532
256 HD21 ASN 37 HD21 ASN 37 7.885 4.436 1.920
257 HD22 ASN 37 HD22 ASN 37 8.083 4.876 0.235
258 H ALA 38 H ALA 38 5.208 2.806 -0.429
259 HA ALA 38 HA ALA 38 4.433 0.002 -0.105
260 HB1 ALA 38 HB1 ALA 38 2.511 1.083 -1.299
261 HB2 ALA 38 HB2 ALA 38 3.636 1.600 -2.577
262 HB3 ALA 38 HB3 ALA 38 3.344 -0.131 -2.298
263 H GLN 39 H GLN 39 5.485 -1.403 -1.699
264 HA GLN 39 HA GLN 39 7.456 -0.230 -3.515
265 HB2 GLN 39 HB2 GLN 39 9.322 -1.528 -2.663
266 HB3 GLN 39 HB3 GLN 39 8.719 -0.446 -1.394
267 HG2 GLN 39 HG2 GLN 39 7.526 -2.280 -0.336
268 HG3 GLN 39 HG3 GLN 39 7.971 -3.386 -1.660
269 HE21 GLN 39 HE21 GLN 39 9.575 -1.153 0.709
270 HE22 GLN 39 HE22 GLN 39 10.924 -2.224 1.025
271 H CYS 40 H CYS 40 8.310 -1.898 -5.012
272 HA CYS 40 HA CYS 40 6.254 -3.966 -5.493
273 HB2 CYS 40 HB2 CYS 40 8.585 -2.998 -7.164
274 HB3 CYS 40 HB3 CYS 40 7.403 -4.208 -7.677
275 H THR 41 H THR 41 6.634 -6.155 -5.497
276 HA THR 41 HA THR 41 9.317 -7.090 -4.594
277 HB THR 41 HB THR 41 8.157 -8.651 -3.065
278 HG1 THR 41 HG1 THR 41 5.973 -8.313 -2.666
279 HG21 THR 41 HG21 THR 41 7.416 -5.734 -2.557
280 HG22 THR 41 HG22 THR 41 7.583 -7.023 -1.341
281 HG23 THR 41 HG23 THR 41 9.006 -6.459 -2.231
282 H GLY 42 H GLY 42 9.191 -9.655 -4.584
283 HA2 GLY 42 HA2 GLY 42 8.553 -11.622 -5.767
284 HA3 GLY 42 HA3 GLY 42 7.858 -10.631 -7.057
285 H PHE 43 H PHE 43 9.426 -12.583 -7.940
286 HA PHE 43 HA PHE 43 12.243 -11.990 -7.962
287 HB2 PHE 43 HB2 PHE 43 11.352 -14.258 -8.142
288 HB3 PHE 43 HB3 PHE 43 10.478 -13.822 -9.609
289 HD1 PHE 43 HD2 PHE 43 14.026 -13.597 -8.346
290 HD2 PHE 43 HD1 PHE 43 11.377 -14.633 -11.572
291 HE1 PHE 43 HE2 PHE 43 15.968 -14.283 -9.723
292 HE2 PHE 43 HE1 PHE 43 13.323 -15.316 -12.952
293 HZ PHE 43 HZ PHE 43 15.618 -15.131 -12.032
294 H LEU 44 H LEU 44 9.555 -10.807 -9.815
295 HA LEU 44 HA LEU 44 11.431 -9.491 -11.704
296 HB2 LEU 44 HB2 LEU 44 8.864 -10.970 -12.402
297 HB3 LEU 44 HB3 LEU 44 9.732 -9.905 -13.521
298 HG LEU 44 HG LEU 44 10.931 -12.394 -12.236
299 HD11 LEU 44 HD11 LEU 44 9.853 -11.919 -15.046
300 HD12 LEU 44 HD12 LEU 44 10.690 -13.384 -14.477
301 HD13 LEU 44 HD13 LEU 44 9.100 -12.937 -13.801
302 HD21 LEU 44 HD21 LEU 44 12.629 -10.695 -12.897
303 HD22 LEU 44 HD22 LEU 44 12.675 -12.087 -13.991
304 HD23 LEU 44 HD23 LEU 44 11.882 -10.578 -14.501
305 H GLY 45 H GLY 45 9.607 -8.826 -9.210
306 HA2 GLY 45 HA2 GLY 45 8.630 -6.860 -8.530
307 HA3 GLY 45 HA3 GLY 45 8.981 -6.162 -10.126
308 H THR 46 H THR 46 7.222 -9.163 -10.141
309 HA THR 46 HA THR 46 4.952 -7.855 -11.383
310 HB THR 46 HB THR 46 4.145 -10.229 -11.630
311 HG1 THR 46 HG1 THR 46 5.631 -11.827 -11.045
312 HG21 THR 46 HG21 THR 46 7.013 -9.648 -12.504
313 HG22 THR 46 HG22 THR 46 5.928 -10.868 -13.220
314 HG23 THR 46 HG23 THR 46 5.536 -9.145 -13.354
315 H THR 47 H THR 47 5.669 -7.989 -8.224
316 HA THR 47 HA THR 47 2.807 -8.177 -7.419
317 HB THR 47 HB THR 47 5.176 -9.333 -5.893
318 HG1 THR 47 HG1 THR 47 4.606 -10.549 -7.725
319 HG21 THR 47 HG21 THR 47 3.339 -10.418 -4.544
320 HG22 THR 47 HG22 THR 47 3.450 -8.658 -4.339
321 HG23 THR 47 HG23 THR 47 2.175 -9.359 -5.367
322 H CYS 48 H CYS 48 2.397 -6.963 -5.353
323 HA CYS 48 HA CYS 48 4.497 -4.922 -4.808
324 HB2 CYS 48 HB2 CYS 48 2.652 -3.977 -6.251
325 HB3 CYS 48 HB3 CYS 48 1.529 -4.356 -4.937
326 H THR 49 H THR 49 4.346 -3.927 -2.706
327 HA THR 49 HA THR 49 2.803 -5.405 -0.654
328 HB THR 49 HB THR 49 5.826 -5.093 -0.804
329 HG1 THR 49 HG1 THR 49 4.887 -6.901 -1.827
330 HG21 THR 49 HG21 THR 49 5.836 -6.245 1.435
331 HG22 THR 49 HG22 THR 49 5.162 -4.606 1.505
332 HG23 THR 49 HG23 THR 49 4.074 -6.017 1.521
333 H CYS 50 H CYS 50 2.116 -4.055 0.969
334 HA CYS 50 HA CYS 50 2.793 -1.207 0.710
335 HB2 CYS 50 HB2 CYS 50 0.872 -2.599 2.590
336 HB3 CYS 50 HB3 CYS 50 1.022 -0.862 2.329
337 H ILE 51 H ILE 51 3.339 0.075 2.646
338 HA ILE 51 HA ILE 51 5.321 -1.390 4.319
339 HB ILE 51 HB ILE 51 5.129 1.531 3.521
340 HG12 ILE 51 HG12 ILE 51 5.746 0.122 1.604
341 HG13 ILE 51 HG13 ILE 51 7.111 1.105 2.139
342 HG21 ILE 51 HG21 ILE 51 7.237 0.020 5.107
343 HG22 ILE 51 HG22 ILE 51 7.432 1.671 4.462
344 HG23 ILE 51 HG23 ILE 51 6.184 1.340 5.676
345 HD11 ILE 51 HD11 ILE 51 6.689 -1.842 2.781
346 HD12 ILE 51 HD12 ILE 51 7.812 -1.171 1.586
347 HD13 ILE 51 HD13 ILE 51 8.075 -0.855 3.314
348 H ASN 52 H ASN 52 5.323 -1.198 6.520
349 HA ASN 52 HA ASN 52 2.823 -0.644 7.779
350 HB2 ASN 52 HB2 ASN 52 5.597 -1.096 8.940
351 HB3 ASN 52 HB3 ASN 52 4.081 -1.194 9.851
352 HD21 ASN 52 HD21 ASN 52 2.489 -2.861 9.206
353 HD22 ASN 52 HD22 ASN 52 3.076 -4.347 8.486
354 HA PRO 53 HA PRO 53 2.310 -0.140 10.088
355 HB2 PRO 53 HB2 PRO 53 0.523 1.574 11.167
356 HB3 PRO 53 HB3 PRO 53 2.207 1.473 11.788
357 HG2 PRO 53 HG2 PRO 53 1.103 3.454 9.765
358 HG3 PRO 53 HG3 PRO 53 2.013 3.814 11.267
359 HD2 PRO 53 HD2 PRO 53 3.253 3.643 8.842
360 HD3 PRO 53 HD3 PRO 53 4.039 3.029 10.329
361 H CYS 54 H CYS 54 -0.010 -0.688 9.921
362 HA CYS 54 HA CYS 54 -1.379 0.383 7.521
363 HB2 CYS 54 HB2 CYS 54 -0.697 -2.506 8.114
364 HB3 CYS 54 HB3 CYS 54 -1.968 -2.044 6.988
365 HA PRO 55 HA PRO 55 -4.083 -0.201 11.319
366 HB2 PRO 55 HB2 PRO 55 -5.128 2.326 11.406
367 HB3 PRO 55 HB3 PRO 55 -3.536 1.916 12.125
368 HG2 PRO 55 HG2 PRO 55 -4.079 3.065 9.363
369 HG3 PRO 55 HG3 PRO 55 -2.958 3.704 10.616
370 HD2 PRO 55 HD2 PRO 55 -2.013 2.125 8.654
371 HD3 PRO 55 HD3 PRO 55 -1.468 1.869 10.338
372 H ARG 56 H ARG 56 -6.470 0.021 11.422
373 HA ARG 56 HA ARG 56 -7.694 -0.682 8.884
374 HB2 ARG 56 HB2 ARG 56 -8.870 -0.266 11.653
375 HB3 ARG 56 HB3 ARG 56 -9.743 -0.925 10.254
376 HG2 ARG 56 HG2 ARG 56 -8.066 -2.766 10.095
377 HG3 ARG 56 HG3 ARG 56 -7.269 -2.140 11.557
378 HD2 ARG 56 HD2 ARG 56 -9.402 -2.440 12.804
379 HD3 ARG 56 HD3 ARG 56 -10.136 -3.113 11.329
380 HE ARG 56 HE ARG 56 -7.778 -4.581 11.861
381 HH11 ARG 56 HH11 ARG 56 -10.955 -4.042 13.319
382 HH12 ARG 56 HH12 ARG 56 -10.997 -5.613 14.086
383 HH21 ARG 56 HH21 ARG 56 -7.868 -6.626 12.868
384 HH22 ARG 56 HH22 ARG 56 -9.261 -7.072 13.824
385 H CYS 57 H CYS 57 -9.850 0.350 8.266
386 HA CYS 57 HA CYS 57 -9.675 3.311 8.538
387 HB2 CYS 57 HB2 CYS 57 -10.109 3.568 6.224
388 HB3 CYS 57 HB3 CYS 57 -8.790 2.409 6.364
Start of MODEL 15
1 HA PCA 1 HA PCA 1 -16.404 -2.290 -1.819
2 HB2 PCA 1 HB2 PCA 1 -18.390 -0.003 -1.953
3 HB3 PCA 1 HB3 PCA 1 -17.986 -1.212 -3.227
4 HG2 PCA 1 HG2 PCA 1 -19.195 -2.914 -2.111
5 HG3 PCA 1 HG3 PCA 1 -20.181 -1.500 -1.584
6 H ASN 2 H ASN 2 -16.256 -0.104 0.770
7 HA ASN 2 HA ASN 2 -14.860 2.058 -0.571
8 HB2 ASN 2 HB2 ASN 2 -16.277 2.350 1.452
9 HB3 ASN 2 HB3 ASN 2 -15.128 1.372 2.381
10 HD21 ASN 2 HD21 ASN 2 -15.270 4.285 0.252
11 HD22 ASN 2 HD22 ASN 2 -14.076 5.198 1.155
12 H CYS 3 H CYS 3 -13.961 -1.068 0.008
13 HA CYS 3 HA CYS 3 -11.096 -0.377 -0.065
14 HB2 CYS 3 HB2 CYS 3 -10.675 -2.178 1.661
15 HB3 CYS 3 HB3 CYS 3 -11.306 -0.644 2.253
16 HA PRO 4 HA PRO 4 -12.213 -3.740 -3.004
17 HB2 PRO 4 HB2 PRO 4 -10.931 -2.727 -5.175
18 HB3 PRO 4 HB3 PRO 4 -12.519 -2.085 -4.639
19 HG2 PRO 4 HG2 PRO 4 -9.763 -0.989 -4.022
20 HG3 PRO 4 HG3 PRO 4 -11.191 -0.101 -4.657
21 HD2 PRO 4 HD2 PRO 4 -10.567 -0.133 -2.000
22 HD3 PRO 4 HD3 PRO 4 -12.271 -0.153 -2.561
23 H THR 5 H THR 5 -10.605 -4.973 -4.494
24 HA THR 5 HA THR 5 -7.944 -5.198 -3.139
25 HB THR 5 HB THR 5 -9.515 -7.397 -4.526
26 HG1 THR 5 HG1 THR 5 -9.923 -8.112 -2.438
27 HG21 THR 5 HG21 THR 5 -7.886 -8.860 -3.344
28 HG22 THR 5 HG22 THR 5 -7.082 -7.761 -4.490
29 HG23 THR 5 HG23 THR 5 -7.036 -7.416 -2.743
30 H ARG 6 H ARG 6 -6.156 -5.069 -4.451
31 HA ARG 6 HA ARG 6 -6.492 -5.359 -7.387
32 HB2 ARG 6 HB2 ARG 6 -5.194 -3.007 -5.954
33 HB3 ARG 6 HB3 ARG 6 -5.069 -3.324 -7.688
34 HG2 ARG 6 HG2 ARG 6 -7.699 -2.817 -6.226
35 HG3 ARG 6 HG3 ARG 6 -6.768 -1.596 -7.105
36 HD2 ARG 6 HD2 ARG 6 -6.928 -2.988 -9.171
37 HD3 ARG 6 HD3 ARG 6 -7.964 -4.133 -8.307
38 HE ARG 6 HE ARG 6 -8.637 -1.370 -9.158
39 HH11 ARG 6 HH11 ARG 6 -9.661 -4.305 -7.460
40 HH12 ARG 6 HH12 ARG 6 -11.361 -3.913 -7.586
41 HH21 ARG 6 HH21 ARG 6 -10.847 -0.881 -9.268
42 HH22 ARG 6 HH22 ARG 6 -12.030 -1.971 -8.583
43 H ARG 7 H ARG 7 -4.670 -6.077 -8.441
44 HA ARG 7 HA ARG 7 -2.154 -6.542 -6.937
45 HB2 ARG 7 HB2 ARG 7 -3.787 -8.628 -8.431
46 HB3 ARG 7 HB3 ARG 7 -2.110 -8.864 -7.933
47 HG2 ARG 7 HG2 ARG 7 -4.371 -8.332 -5.954
48 HG3 ARG 7 HG3 ARG 7 -3.854 -9.935 -6.484
49 HD2 ARG 7 HD2 ARG 7 -2.712 -9.595 -4.459
50 HD3 ARG 7 HD3 ARG 7 -1.497 -9.342 -5.718
51 HE ARG 7 HE ARG 7 -2.848 -6.899 -4.862
52 HH11 ARG 7 HH11 ARG 7 -0.173 -9.109 -4.153
53 HH12 ARG 7 HH12 ARG 7 0.749 -7.883 -3.306
54 HH21 ARG 7 HH21 ARG 7 -1.634 -5.356 -3.716
55 HH22 ARG 7 HH22 ARG 7 -0.071 -5.790 -3.055
56 H GLY 8 H GLY 8 -0.370 -7.063 -8.428
57 HA2 GLY 8 HA2 GLY 8 0.808 -6.911 -10.402
58 HA3 GLY 8 HA3 GLY 8 -0.728 -6.958 -11.277
59 H LEU 9 H LEU 9 -0.531 -4.435 -8.897
60 HA LEU 9 HA LEU 9 -0.949 -2.369 -10.776
61 HB2 LEU 9 HB2 LEU 9 0.119 -2.345 -7.924
62 HB3 LEU 9 HB3 LEU 9 -0.353 -0.888 -8.808
63 HG LEU 9 HG LEU 9 -2.232 -3.234 -8.282
64 HD11 LEU 9 HD11 LEU 9 -3.228 -1.784 -6.550
65 HD12 LEU 9 HD12 LEU 9 -1.532 -2.158 -6.179
66 HD13 LEU 9 HD13 LEU 9 -1.963 -0.566 -6.843
67 HD21 LEU 9 HD21 LEU 9 -3.976 -1.545 -8.846
68 HD22 LEU 9 HD22 LEU 9 -2.701 -0.369 -9.226
69 HD23 LEU 9 HD23 LEU 9 -2.889 -1.839 -10.217
70 H CYS 10 H CYS 10 2.059 -3.839 -9.685
71 HA CYS 10 HA CYS 10 3.721 -1.594 -10.428
72 HB2 CYS 10 HB2 CYS 10 4.243 -3.300 -8.672
73 HB3 CYS 10 HB3 CYS 10 4.415 -4.504 -9.938
74 H VAL 11 H VAL 11 1.952 -3.716 -12.330
75 HA VAL 11 HA VAL 11 3.930 -3.527 -14.567
76 HB VAL 11 HB VAL 11 1.896 -5.728 -14.015
77 HG11 VAL 11 HG11 VAL 11 3.081 -6.918 -15.838
78 HG12 VAL 11 HG12 VAL 11 2.321 -5.430 -16.421
79 HG13 VAL 11 HG13 VAL 11 4.077 -5.471 -16.126
80 HG21 VAL 11 HG21 VAL 11 3.778 -5.802 -12.421
81 HG22 VAL 11 HG22 VAL 11 3.882 -7.133 -13.596
82 HG23 VAL 11 HG23 VAL 11 4.936 -5.709 -13.770
83 H THR 12 H THR 12 0.584 -3.089 -13.475
84 HA THR 12 HA THR 12 -0.327 -2.610 -16.244
85 HB THR 12 HB THR 12 -2.542 -2.359 -15.172
86 HG1 THR 12 HG1 THR 12 -2.680 -2.827 -12.960
87 HG21 THR 12 HG21 THR 12 -1.015 -4.844 -14.289
88 HG22 THR 12 HG22 THR 12 -2.780 -4.704 -14.473
89 HG23 THR 12 HG23 THR 12 -1.727 -4.583 -15.898
90 H SER 13 H SER 13 0.774 -0.789 -13.477
91 HA SER 13 HA SER 13 0.228 1.733 -14.952
92 HB2 SER 13 HB2 SER 13 -0.700 0.983 -12.160
93 HB3 SER 13 HB3 SER 13 -0.486 2.663 -12.674
94 HG SER 13 HG SER 13 -2.636 1.894 -13.003
95 H GLY 14 H GLY 14 2.075 -0.133 -12.609
96 HA2 GLY 14 HA2 GLY 14 4.449 0.249 -12.425
97 HA3 GLY 14 HA3 GLY 14 4.178 1.979 -12.640
98 H LEU 15 H LEU 15 5.709 1.572 -10.592
99 HA LEU 15 HA LEU 15 4.656 0.680 -8.145
100 HB2 LEU 15 HB2 LEU 15 7.027 1.012 -8.549
101 HB3 LEU 15 HB3 LEU 15 6.784 2.742 -8.839
102 HG LEU 15 HG LEU 15 6.101 3.065 -6.504
103 HD11 LEU 15 HD11 LEU 15 6.428 1.238 -4.856
104 HD12 LEU 15 HD12 LEU 15 5.155 0.822 -6.012
105 HD13 LEU 15 HD13 LEU 15 6.772 0.102 -6.179
106 HD21 LEU 15 HD21 LEU 15 8.314 2.680 -5.491
107 HD22 LEU 15 HD22 LEU 15 8.731 1.554 -6.809
108 HD23 LEU 15 HD23 LEU 15 8.476 3.277 -7.153
109 H THR 16 H THR 16 4.182 3.771 -9.824
110 HA THR 16 HA THR 16 3.431 5.343 -7.590
111 HB THR 16 HB THR 16 2.401 5.522 -10.449
112 HG1 THR 16 HG1 THR 16 4.214 6.839 -10.745
113 HG21 THR 16 HG21 THR 16 2.778 7.622 -8.266
114 HG22 THR 16 HG22 THR 16 2.272 7.949 -9.942
115 HG23 THR 16 HG23 THR 16 1.224 7.009 -8.866
116 H ALA 17 H ALA 17 1.581 2.962 -9.518
117 HA ALA 17 HA ALA 17 -0.950 3.787 -8.310
118 HB1 ALA 17 HB1 ALA 17 -0.182 1.373 -9.993
119 HB2 ALA 17 HB2 ALA 17 -1.841 1.849 -9.565
120 HB3 ALA 17 HB3 ALA 17 -0.859 2.914 -10.590
121 H CYS 18 H CYS 18 1.580 1.366 -7.719
122 HA CYS 18 HA CYS 18 0.085 -0.156 -5.774
123 HB2 CYS 18 HB2 CYS 18 2.025 -1.057 -6.925
124 HB3 CYS 18 HB3 CYS 18 3.048 0.248 -6.318
125 H ARG 19 H ARG 19 2.015 2.816 -5.725
126 HA ARG 19 HA ARG 19 2.157 2.957 -2.828
127 HB2 ARG 19 HB2 ARG 19 3.757 3.908 -4.627
128 HB3 ARG 19 HB3 ARG 19 2.585 5.225 -4.796
129 HG2 ARG 19 HG2 ARG 19 2.823 5.717 -2.359
130 HG3 ARG 19 HG3 ARG 19 3.982 4.369 -2.219
131 HD2 ARG 19 HD2 ARG 19 5.381 5.517 -3.985
132 HD3 ARG 19 HD3 ARG 19 4.290 6.913 -3.855
133 HE ARG 19 HE ARG 19 5.406 6.006 -1.307
134 HH11 ARG 19 HH11 ARG 19 5.931 8.091 -4.120
135 HH12 ARG 19 HH12 ARG 19 7.041 9.144 -3.275
136 HH21 ARG 19 HH21 ARG 19 6.875 7.372 -0.248
137 HH22 ARG 19 HH22 ARG 19 7.573 8.740 -1.088
138 H ASN 20 H ASN 20 0.013 4.182 -5.360
139 HA ASN 20 HA ASN 20 -1.456 5.931 -3.544
140 HB2 ASN 20 HB2 ASN 20 -2.027 4.904 -6.348
141 HB3 ASN 20 HB3 ASN 20 -3.034 6.074 -5.492
142 HD21 ASN 20 HD21 ASN 20 -2.012 6.804 -7.905
143 HD22 ASN 20 HD22 ASN 20 -0.754 8.006 -7.694
144 H HIS 21 H HIS 21 -1.579 2.520 -4.426
145 HA HIS 21 HA HIS 21 -4.335 2.179 -3.512
146 HB2 HIS 21 HB2 HIS 21 -3.357 0.821 -5.313
147 HB3 HIS 21 HB3 HIS 21 -2.132 0.202 -4.199
148 HD1 HIS 21 HD1 HIS 21 -6.013 0.095 -4.537
149 HD2 HIS 21 HD2 HIS 21 -2.742 -1.960 -2.881
150 HE1 HIS 21 HE1 HIS 21 -6.931 -2.081 -3.574
151 H CYS 22 H CYS 22 -1.047 1.769 -2.196
152 HA CYS 22 HA CYS 22 -1.980 0.523 0.258
153 HB2 CYS 22 HB2 CYS 22 0.617 1.846 -0.557
154 HB3 CYS 22 HB3 CYS 22 0.367 1.074 1.010
155 H ARG 23 H ARG 23 -1.660 3.836 -0.903
156 HA ARG 23 HA ARG 23 -1.847 4.923 1.826
157 HB2 ARG 23 HB2 ARG 23 -1.499 6.158 -0.921
158 HB3 ARG 23 HB3 ARG 23 -1.849 7.132 0.519
159 HG2 ARG 23 HG2 ARG 23 0.102 6.206 1.677
160 HG3 ARG 23 HG3 ARG 23 0.506 5.214 0.257
161 HD2 ARG 23 HD2 ARG 23 0.904 7.191 -1.082
162 HD3 ARG 23 HD3 ARG 23 0.242 8.240 0.189
163 HE ARG 23 HE ARG 23 2.340 6.890 1.409
164 HH11 ARG 23 HH11 ARG 23 2.002 9.039 -1.379
165 HH12 ARG 23 HH12 ARG 23 3.605 9.709 -1.199
166 HH21 ARG 23 HH21 ARG 23 4.414 7.777 1.623
167 HH22 ARG 23 HH22 ARG 23 4.970 8.995 0.497
168 H SER 24 H SER 24 -4.029 3.476 -0.080
169 HA SER 24 HA SER 24 -6.223 5.132 1.057
170 HB2 SER 24 HB2 SER 24 -7.597 4.581 -0.888
171 HB3 SER 24 HB3 SER 24 -6.117 5.419 -1.405
172 HG SER 24 HG SER 24 -6.569 3.566 -2.675
173 H CYS 25 H CYS 25 -8.280 3.727 1.325
174 HA CYS 25 HA CYS 25 -7.429 1.429 2.852
175 HB2 CYS 25 HB2 CYS 25 -10.247 2.300 2.119
176 HB3 CYS 25 HB3 CYS 25 -9.778 1.169 3.393
177 H HIS 26 H HIS 26 -7.382 -0.665 2.349
178 HA HIS 26 HA HIS 26 -8.630 -1.633 -0.161
179 HB2 HIS 26 HB2 HIS 26 -6.437 -2.707 -0.744
180 HB3 HIS 26 HB3 HIS 26 -6.442 -0.943 -0.852
181 HD1 HIS 26 HD1 HIS 26 -4.617 0.297 0.501
182 HD2 HIS 26 HD2 HIS 26 -5.252 -3.701 1.674
183 HE1 HIS 26 HE1 HIS 26 -2.823 -0.241 2.263
184 HE2 HIS 26 HE2 HIS 26 -3.230 -2.677 2.968
185 H ARG 27 H ARG 27 -8.287 -4.098 -0.275
186 HA ARG 27 HA ARG 27 -9.337 -5.143 2.206
187 HB2 ARG 27 HB2 ARG 27 -9.975 -5.751 -0.213
188 HB3 ARG 27 HB3 ARG 27 -8.499 -6.713 -0.253
189 HG2 ARG 27 HG2 ARG 27 -10.410 -8.124 0.315
190 HG3 ARG 27 HG3 ARG 27 -9.302 -8.032 1.700
191 HD2 ARG 27 HD2 ARG 27 -11.690 -7.819 2.370
192 HD3 ARG 27 HD3 ARG 27 -10.744 -6.391 2.797
193 HE ARG 27 HE ARG 27 -11.741 -5.182 0.963
194 HH11 ARG 27 HH11 ARG 27 -13.259 -8.319 1.587
195 HH12 ARG 27 HH12 ARG 27 -14.724 -7.889 0.735
196 HH21 ARG 27 HH21 ARG 27 -13.616 -4.673 -0.125
197 HH22 ARG 27 HH22 ARG 27 -14.934 -5.819 -0.224
198 H GLY 28 H GLY 28 -8.412 -6.477 3.697
199 HA2 GLY 28 HA2 GLY 28 -5.497 -7.069 3.416
200 HA3 GLY 28 HA3 GLY 28 -6.313 -6.713 4.942
201 H ASP 29 H ASP 29 -5.218 -8.834 5.501
202 HA ASP 29 HA ASP 29 -6.331 -11.251 4.285
203 HB2 ASP 29 HB2 ASP 29 -3.940 -10.982 4.937
204 HB3 ASP 29 HB3 ASP 29 -4.435 -10.872 6.628
205 H VAL 30 H VAL 30 -7.123 -9.198 6.953
206 HA VAL 30 HA VAL 30 -9.026 -11.253 7.956
207 HB VAL 30 HB VAL 30 -6.982 -11.176 9.370
208 HG11 VAL 30 HG11 VAL 30 -7.869 -8.320 9.972
209 HG12 VAL 30 HG12 VAL 30 -6.563 -9.210 10.791
210 HG13 VAL 30 HG13 VAL 30 -6.408 -8.787 9.076
211 HG21 VAL 30 HG21 VAL 30 -9.199 -11.790 10.312
212 HG22 VAL 30 HG22 VAL 30 -8.117 -11.034 11.501
213 HG23 VAL 30 HG23 VAL 30 -9.442 -10.088 10.793
214 H GLY 31 H GLY 31 -8.495 -8.086 6.822
215 HA2 GLY 31 HA2 GLY 31 -11.193 -7.319 6.861
216 HA3 GLY 31 HA3 GLY 31 -10.437 -6.603 8.296
217 H CYS 32 H CYS 32 -11.271 -4.702 6.651
218 HA CYS 32 HA CYS 32 -9.276 -4.124 4.598
219 HB2 CYS 32 HB2 CYS 32 -11.676 -2.587 5.614
220 HB3 CYS 32 HB3 CYS 32 -10.577 -2.013 4.350
221 H VAL 33 H VAL 33 -7.756 -2.555 4.570
222 HA VAL 33 HA VAL 33 -7.177 -1.034 7.038
223 HB VAL 33 HB VAL 33 -4.855 -1.855 7.092
224 HG11 VAL 33 HG11 VAL 33 -6.810 -4.185 7.221
225 HG12 VAL 33 HG12 VAL 33 -5.235 -4.060 8.031
226 HG13 VAL 33 HG13 VAL 33 -6.565 -2.984 8.510
227 HG21 VAL 33 HG21 VAL 33 -4.622 -2.511 4.725
228 HG22 VAL 33 HG22 VAL 33 -4.188 -3.843 5.807
229 HG23 VAL 33 HG23 VAL 33 -5.762 -3.859 4.983
230 H ARG 34 H ARG 34 -5.280 0.418 6.708
231 HA ARG 34 HA ARG 34 -4.672 1.105 3.891
232 HB2 ARG 34 HB2 ARG 34 -5.007 3.504 4.391
233 HB3 ARG 34 HB3 ARG 34 -6.517 2.589 4.552
234 HG2 ARG 34 HG2 ARG 34 -6.204 2.495 7.011
235 HG3 ARG 34 HG3 ARG 34 -4.720 3.459 6.855
236 HD2 ARG 34 HD2 ARG 34 -5.997 5.310 5.876
237 HD3 ARG 34 HD3 ARG 34 -7.483 4.338 5.936
238 HE ARG 34 HE ARG 34 -6.359 4.462 8.543
239 HH11 ARG 34 HH11 ARG 34 -7.972 6.528 6.172
240 HH12 ARG 34 HH12 ARG 34 -8.671 7.574 7.390
241 HH21 ARG 34 HH21 ARG 34 -7.291 5.826 10.101
242 HH22 ARG 34 HH22 ARG 34 -8.285 7.182 9.612
243 H CYS 35 H CYS 35 -2.586 2.210 3.702
244 HA CYS 35 HA CYS 35 -0.896 1.878 6.143
245 HB2 CYS 35 HB2 CYS 35 -0.180 1.160 3.297
246 HB3 CYS 35 HB3 CYS 35 0.843 0.959 4.709
247 H SER 36 H SER 36 1.492 2.732 5.257
248 HA SER 36 HA SER 36 0.954 5.620 4.822
249 HB2 SER 36 HB2 SER 36 3.198 4.074 6.159
250 HB3 SER 36 HB3 SER 36 3.188 5.834 5.952
251 HG SER 36 HG SER 36 1.245 4.279 7.326
252 H ASN 37 H ASN 37 2.847 2.884 3.508
253 HA ASN 37 HA ASN 37 3.533 4.520 1.177
254 HB2 ASN 37 HB2 ASN 37 5.281 4.975 2.992
255 HB3 ASN 37 HB3 ASN 37 5.775 3.291 2.839
256 HD21 ASN 37 HD21 ASN 37 7.890 4.329 2.275
257 HD22 ASN 37 HD22 ASN 37 8.151 4.801 0.609
258 H ALA 38 H ALA 38 5.214 2.920 -0.204
259 HA ALA 38 HA ALA 38 4.372 0.118 0.062
260 HB1 ALA 38 HB1 ALA 38 3.732 1.735 -2.428
261 HB2 ALA 38 HB2 ALA 38 3.330 0.027 -2.124
262 HB3 ALA 38 HB3 ALA 38 2.531 1.303 -1.183
263 H GLN 39 H GLN 39 5.301 -1.225 -1.702
264 HA GLN 39 HA GLN 39 7.491 -0.111 -3.281
265 HB2 GLN 39 HB2 GLN 39 9.128 -1.758 -2.478
266 HB3 GLN 39 HB3 GLN 39 8.646 -0.653 -1.182
267 HG2 GLN 39 HG2 GLN 39 7.163 -2.324 -0.224
268 HG3 GLN 39 HG3 GLN 39 7.436 -3.417 -1.596
269 HE21 GLN 39 HE21 GLN 39 9.359 -1.610 0.890
270 HE22 GLN 39 HE22 GLN 39 10.502 -2.911 1.155
271 H CYS 40 H CYS 40 8.359 -1.864 -4.768
272 HA CYS 40 HA CYS 40 6.126 -3.693 -5.510
273 HB2 CYS 40 HB2 CYS 40 6.543 -2.070 -7.193
274 HB3 CYS 40 HB3 CYS 40 8.288 -2.347 -7.139
275 H THR 41 H THR 41 6.480 -5.831 -5.824
276 HA THR 41 HA THR 41 9.162 -6.949 -5.157
277 HB THR 41 HB THR 41 8.066 -8.518 -3.598
278 HG1 THR 41 HG1 THR 41 5.940 -8.059 -2.971
279 HG21 THR 41 HG21 THR 41 7.474 -5.611 -2.898
280 HG22 THR 41 HG22 THR 41 7.701 -6.957 -1.756
281 HG23 THR 41 HG23 THR 41 9.064 -6.406 -2.742
282 H GLY 42 H GLY 42 8.624 -9.571 -5.128
283 HA2 GLY 42 HA2 GLY 42 7.587 -11.353 -6.342
284 HA3 GLY 42 HA3 GLY 42 7.176 -10.235 -7.648
285 H PHE 43 H PHE 43 8.306 -12.467 -8.491
286 HA PHE 43 HA PHE 43 11.175 -12.545 -8.440
287 HB2 PHE 43 HB2 PHE 43 9.918 -14.550 -8.802
288 HB3 PHE 43 HB3 PHE 43 9.017 -13.824 -10.137
289 HD1 PHE 43 HD2 PHE 43 12.471 -14.916 -9.153
290 HD2 PHE 43 HD1 PHE 43 9.732 -14.040 -12.355
291 HE1 PHE 43 HE2 PHE 43 14.124 -15.763 -10.807
292 HE2 PHE 43 HE1 PHE 43 11.391 -14.876 -13.998
293 HZ PHE 43 HZ PHE 43 13.582 -15.731 -13.228
294 H LEU 44 H LEU 44 8.893 -10.680 -10.323
295 HA LEU 44 HA LEU 44 11.134 -9.644 -11.914
296 HB2 LEU 44 HB2 LEU 44 9.966 -11.622 -13.078
297 HB3 LEU 44 HB3 LEU 44 8.573 -10.552 -13.272
298 HG LEU 44 HG LEU 44 10.030 -8.974 -14.587
299 HD11 LEU 44 HD11 LEU 44 12.119 -11.164 -14.194
300 HD12 LEU 44 HD12 LEU 44 12.254 -9.818 -15.347
301 HD13 LEU 44 HD13 LEU 44 12.229 -9.494 -13.606
302 HD21 LEU 44 HD21 LEU 44 8.723 -10.748 -15.711
303 HD22 LEU 44 HD22 LEU 44 10.249 -10.425 -16.561
304 HD23 LEU 44 HD23 LEU 44 10.095 -11.867 -15.532
305 H GLY 45 H GLY 45 9.339 -8.661 -9.701
306 HA2 GLY 45 HA2 GLY 45 8.484 -6.597 -9.161
307 HA3 GLY 45 HA3 GLY 45 8.831 -6.036 -10.809
308 H THR 46 H THR 46 6.834 -8.881 -9.991
309 HA THR 46 HA THR 46 4.581 -7.573 -11.403
310 HB THR 46 HB THR 46 3.764 -9.898 -11.750
311 HG1 THR 46 HG1 THR 46 4.723 -10.881 -9.969
312 HG21 THR 46 HG21 THR 46 5.229 -8.827 -13.431
313 HG22 THR 46 HG22 THR 46 6.663 -9.458 -12.586
314 HG23 THR 46 HG23 THR 46 5.505 -10.579 -13.340
315 H THR 47 H THR 47 5.392 -7.517 -8.342
316 HA THR 47 HA THR 47 2.612 -8.024 -7.412
317 HB THR 47 HB THR 47 5.138 -8.785 -5.908
318 HG1 THR 47 HG1 THR 47 3.186 -10.384 -7.203
319 HG21 THR 47 HG21 THR 47 2.187 -9.239 -5.312
320 HG22 THR 47 HG22 THR 47 3.535 -9.988 -4.424
321 HG23 THR 47 HG23 THR 47 3.325 -8.232 -4.374
322 H CYS 48 H CYS 48 1.943 -6.767 -5.616
323 HA CYS 48 HA CYS 48 3.565 -4.305 -5.140
324 HB2 CYS 48 HB2 CYS 48 1.600 -3.770 -6.427
325 HB3 CYS 48 HB3 CYS 48 0.581 -4.755 -5.379
326 H THR 49 H THR 49 3.882 -3.675 -3.032
327 HA THR 49 HA THR 49 2.568 -5.222 -0.863
328 HB THR 49 HB THR 49 5.564 -4.859 -1.243
329 HG1 THR 49 HG1 THR 49 4.674 -6.564 -2.413
330 HG21 THR 49 HG21 THR 49 3.977 -6.083 1.057
331 HG22 THR 49 HG22 THR 49 5.738 -6.227 0.839
332 HG23 THR 49 HG23 THR 49 5.008 -4.636 1.134
333 H CYS 50 H CYS 50 2.315 -4.068 1.050
334 HA CYS 50 HA CYS 50 2.802 -1.153 0.787
335 HB2 CYS 50 HB2 CYS 50 0.952 -2.661 2.654
336 HB3 CYS 50 HB3 CYS 50 1.065 -0.909 2.465
337 H ILE 51 H ILE 51 3.235 0.038 2.840
338 HA ILE 51 HA ILE 51 5.301 -1.404 4.440
339 HB ILE 51 HB ILE 51 5.071 1.520 3.668
340 HG12 ILE 51 HG12 ILE 51 5.673 0.124 1.739
341 HG13 ILE 51 HG13 ILE 51 7.022 1.147 2.249
342 HG21 ILE 51 HG21 ILE 51 7.211 0.025 5.231
343 HG22 ILE 51 HG22 ILE 51 7.401 1.666 4.572
344 HG23 ILE 51 HG23 ILE 51 6.171 1.359 5.800
345 HD11 ILE 51 HD11 ILE 51 6.697 -1.813 2.903
346 HD12 ILE 51 HD12 ILE 51 7.765 -1.125 1.668
347 HD13 ILE 51 HD13 ILE 51 8.073 -0.780 3.382
348 H ASN 52 H ASN 52 5.373 -1.087 6.670
349 HA ASN 52 HA ASN 52 2.825 -0.548 7.902
350 HB2 ASN 52 HB2 ASN 52 4.007 -1.146 9.976
351 HB3 ASN 52 HB3 ASN 52 4.352 -2.299 8.683
352 HD21 ASN 52 HD21 ASN 52 5.672 0.248 10.753
353 HD22 ASN 52 HD22 ASN 52 7.347 0.000 10.309
354 HA PRO 53 HA PRO 53 2.312 0.011 10.233
355 HB2 PRO 53 HB2 PRO 53 0.521 1.794 11.207
356 HB3 PRO 53 HB3 PRO 53 2.174 1.648 11.888
357 HG2 PRO 53 HG2 PRO 53 1.197 3.623 9.803
358 HG3 PRO 53 HG3 PRO 53 2.090 3.983 11.322
359 HD2 PRO 53 HD2 PRO 53 3.376 3.738 8.932
360 HD3 PRO 53 HD3 PRO 53 4.104 3.109 10.440
361 H CYS 54 H CYS 54 0.054 -0.607 9.992
362 HA CYS 54 HA CYS 54 -1.330 0.464 7.595
363 HB2 CYS 54 HB2 CYS 54 -0.637 -2.417 8.201
364 HB3 CYS 54 HB3 CYS 54 -1.925 -1.960 7.084
365 HA PRO 55 HA PRO 55 -3.988 -0.004 11.447
366 HB2 PRO 55 HB2 PRO 55 -5.208 2.450 11.272
367 HB3 PRO 55 HB3 PRO 55 -3.620 2.186 12.066
368 HG2 PRO 55 HG2 PRO 55 -4.127 3.090 9.212
369 HG3 PRO 55 HG3 PRO 55 -3.067 3.859 10.439
370 HD2 PRO 55 HD2 PRO 55 -2.018 2.174 8.618
371 HD3 PRO 55 HD3 PRO 55 -1.504 2.060 10.327
372 H ARG 56 H ARG 56 -6.377 0.005 11.557
373 HA ARG 56 HA ARG 56 -7.468 -1.171 9.143
374 HB2 ARG 56 HB2 ARG 56 -8.717 -0.571 11.852
375 HB3 ARG 56 HB3 ARG 56 -9.485 -1.506 10.557
376 HG2 ARG 56 HG2 ARG 56 -7.579 -3.109 10.601
377 HG3 ARG 56 HG3 ARG 56 -6.881 -2.226 11.972
378 HD2 ARG 56 HD2 ARG 56 -9.624 -3.538 11.928
379 HD3 ARG 56 HD3 ARG 56 -8.172 -4.220 12.680
380 HE ARG 56 HE ARG 56 -8.540 -1.635 13.759
381 HH11 ARG 56 HH11 ARG 56 -10.196 -4.755 13.749
382 HH12 ARG 56 HH12 ARG 56 -10.932 -4.503 15.317
383 HH21 ARG 56 HH21 ARG 56 -9.511 -1.331 15.800
384 HH22 ARG 56 HH22 ARG 56 -10.538 -2.569 16.474
385 H CYS 57 H CYS 57 -9.563 -0.589 8.230
386 HA CYS 57 HA CYS 57 -10.373 2.236 8.455
387 HB2 CYS 57 HB2 CYS 57 -8.645 2.235 6.731
388 HB3 CYS 57 HB3 CYS 57 -9.434 0.899 5.890
Start of MODEL 16
1 HA PCA 1 HA PCA 1 -17.844 -1.188 -1.012
2 HB2 PCA 1 HB2 PCA 1 -15.668 -2.398 0.139
3 HB3 PCA 1 HB3 PCA 1 -17.079 -3.344 -0.440
4 HG2 PCA 1 HG2 PCA 1 -15.407 -4.386 -1.731
5 HG3 PCA 1 HG3 PCA 1 -14.438 -2.865 -1.843
6 H ASN 2 H ASN 2 -16.434 0.006 0.633
7 HA ASN 2 HA ASN 2 -15.068 2.196 -0.688
8 HB2 ASN 2 HB2 ASN 2 -15.530 1.500 2.234
9 HB3 ASN 2 HB3 ASN 2 -14.775 2.995 1.673
10 HD21 ASN 2 HD21 ASN 2 -16.982 3.197 3.247
11 HD22 ASN 2 HD22 ASN 2 -18.357 3.745 2.302
12 H CYS 3 H CYS 3 -14.052 -0.864 -0.083
13 HA CYS 3 HA CYS 3 -11.229 -0.061 -0.088
14 HB2 CYS 3 HB2 CYS 3 -10.714 -1.708 1.724
15 HB3 CYS 3 HB3 CYS 3 -11.527 -0.238 2.249
16 HA PRO 4 HA PRO 4 -12.339 -3.551 -2.902
17 HB2 PRO 4 HB2 PRO 4 -11.073 -2.638 -5.126
18 HB3 PRO 4 HB3 PRO 4 -12.659 -1.983 -4.593
19 HG2 PRO 4 HG2 PRO 4 -9.897 -0.842 -4.041
20 HG3 PRO 4 HG3 PRO 4 -11.328 0.018 -4.705
21 HD2 PRO 4 HD2 PRO 4 -10.710 0.104 -2.056
22 HD3 PRO 4 HD3 PRO 4 -12.407 0.018 -2.607
23 H THR 5 H THR 5 -10.814 -4.927 -4.299
24 HA THR 5 HA THR 5 -8.144 -5.149 -2.974
25 HB THR 5 HB THR 5 -9.739 -7.328 -4.363
26 HG1 THR 5 HG1 THR 5 -10.796 -6.640 -2.497
27 HG21 THR 5 HG21 THR 5 -7.303 -7.369 -2.534
28 HG22 THR 5 HG22 THR 5 -8.166 -8.809 -3.117
29 HG23 THR 5 HG23 THR 5 -7.323 -7.748 -4.269
30 H ARG 6 H ARG 6 -6.333 -5.071 -4.298
31 HA ARG 6 HA ARG 6 -6.708 -5.423 -7.214
32 HB2 ARG 6 HB2 ARG 6 -5.345 -2.990 -5.995
33 HB3 ARG 6 HB3 ARG 6 -5.420 -3.412 -7.713
34 HG2 ARG 6 HG2 ARG 6 -7.948 -3.308 -7.560
35 HG3 ARG 6 HG3 ARG 6 -7.771 -2.709 -5.903
36 HD2 ARG 6 HD2 ARG 6 -8.061 -0.810 -7.356
37 HD3 ARG 6 HD3 ARG 6 -6.382 -0.813 -6.778
38 HE ARG 6 HE ARG 6 -6.559 -2.230 -9.260
39 HH11 ARG 6 HH11 ARG 6 -6.730 1.060 -7.969
40 HH12 ARG 6 HH12 ARG 6 -6.178 1.788 -9.464
41 HH21 ARG 6 HH21 ARG 6 -5.847 -1.244 -11.187
42 HH22 ARG 6 HH22 ARG 6 -5.681 0.493 -11.275
43 H ARG 7 H ARG 7 -4.872 -6.085 -8.301
44 HA ARG 7 HA ARG 7 -2.340 -6.519 -6.818
45 HB2 ARG 7 HB2 ARG 7 -3.973 -8.638 -8.268
46 HB3 ARG 7 HB3 ARG 7 -2.291 -8.854 -7.797
47 HG2 ARG 7 HG2 ARG 7 -4.521 -8.299 -5.784
48 HG3 ARG 7 HG3 ARG 7 -4.020 -9.908 -6.299
49 HD2 ARG 7 HD2 ARG 7 -2.859 -9.532 -4.297
50 HD3 ARG 7 HD3 ARG 7 -1.656 -9.317 -5.583
51 HE ARG 7 HE ARG 7 -2.996 -6.864 -4.717
52 HH11 ARG 7 HH11 ARG 7 -0.267 -9.033 -4.100
53 HH12 ARG 7 HH12 ARG 7 0.681 -7.786 -3.316
54 HH21 ARG 7 HH21 ARG 7 -1.733 -5.280 -3.668
55 HH22 ARG 7 HH22 ARG 7 -0.141 -5.689 -3.073
56 H GLY 8 H GLY 8 -0.575 -7.143 -8.345
57 HA2 GLY 8 HA2 GLY 8 0.578 -7.007 -10.317
58 HA3 GLY 8 HA3 GLY 8 -0.969 -6.990 -11.183
59 H LEU 9 H LEU 9 -0.566 -4.498 -8.763
60 HA LEU 9 HA LEU 9 -0.973 -2.415 -10.642
61 HB2 LEU 9 HB2 LEU 9 0.205 -2.386 -7.831
62 HB3 LEU 9 HB3 LEU 9 -0.349 -0.946 -8.706
63 HG LEU 9 HG LEU 9 -2.130 -3.328 -8.025
64 HD11 LEU 9 HD11 LEU 9 -1.923 -0.586 -6.720
65 HD12 LEU 9 HD12 LEU 9 -3.105 -1.859 -6.320
66 HD13 LEU 9 HD13 LEU 9 -1.379 -2.121 -6.000
67 HD21 LEU 9 HD21 LEU 9 -2.906 -2.044 -9.991
68 HD22 LEU 9 HD22 LEU 9 -3.952 -1.720 -8.591
69 HD23 LEU 9 HD23 LEU 9 -2.729 -0.526 -9.080
70 H CYS 10 H CYS 10 2.004 -3.953 -9.505
71 HA CYS 10 HA CYS 10 3.717 -1.842 -10.556
72 HB2 CYS 10 HB2 CYS 10 4.267 -4.599 -9.417
73 HB3 CYS 10 HB3 CYS 10 5.523 -3.468 -9.927
74 H VAL 11 H VAL 11 1.823 -3.911 -12.220
75 HA VAL 11 HA VAL 11 3.908 -4.433 -14.295
76 HB VAL 11 HB VAL 11 1.474 -6.129 -13.610
77 HG11 VAL 11 HG11 VAL 11 2.078 -6.362 -15.973
78 HG12 VAL 11 HG12 VAL 11 3.794 -6.580 -15.534
79 HG13 VAL 11 HG13 VAL 11 2.587 -7.801 -15.083
80 HG21 VAL 11 HG21 VAL 11 4.441 -6.571 -13.079
81 HG22 VAL 11 HG22 VAL 11 3.189 -6.278 -11.846
82 HG23 VAL 11 HG23 VAL 11 3.149 -7.765 -12.804
83 H THR 12 H THR 12 0.904 -2.860 -13.558
84 HA THR 12 HA THR 12 0.390 -2.547 -16.488
85 HB THR 12 HB THR 12 -1.237 -4.009 -15.301
86 HG1 THR 12 HG1 THR 12 -3.014 -2.927 -16.187
87 HG21 THR 12 HG21 THR 12 -2.879 -3.005 -13.783
88 HG22 THR 12 HG22 THR 12 -1.247 -2.855 -13.106
89 HG23 THR 12 HG23 THR 12 -2.029 -1.443 -13.857
90 H SER 13 H SER 13 0.941 -0.958 -13.454
91 HA SER 13 HA SER 13 0.490 1.671 -14.782
92 HB2 SER 13 HB2 SER 13 -0.545 0.690 -12.101
93 HB3 SER 13 HB3 SER 13 -0.390 2.407 -12.514
94 HG SER 13 HG SER 13 -2.478 1.581 -13.018
95 H GLY 14 H GLY 14 2.338 -0.358 -12.625
96 HA2 GLY 14 HA2 GLY 14 4.622 0.012 -12.144
97 HA3 GLY 14 HA3 GLY 14 4.426 1.733 -12.470
98 H LEU 15 H LEU 15 5.792 1.532 -10.365
99 HA LEU 15 HA LEU 15 4.669 0.744 -7.909
100 HB2 LEU 15 HB2 LEU 15 7.053 1.126 -8.245
101 HB3 LEU 15 HB3 LEU 15 6.765 2.823 -8.650
102 HG LEU 15 HG LEU 15 5.977 3.265 -6.355
103 HD11 LEU 15 HD11 LEU 15 6.762 0.362 -5.824
104 HD12 LEU 15 HD12 LEU 15 6.296 1.558 -4.592
105 HD13 LEU 15 HD13 LEU 15 5.105 1.007 -5.786
106 HD21 LEU 15 HD21 LEU 15 8.360 3.531 -6.930
107 HD22 LEU 15 HD22 LEU 15 8.164 3.004 -5.243
108 HD23 LEU 15 HD23 LEU 15 8.666 1.836 -6.487
109 H THR 16 H THR 16 4.169 3.701 -9.792
110 HA THR 16 HA THR 16 3.344 5.407 -7.680
111 HB THR 16 HB THR 16 2.329 5.380 -10.545
112 HG1 THR 16 HG1 THR 16 4.658 6.569 -9.455
113 HG21 THR 16 HG21 THR 16 2.696 7.615 -8.497
114 HG22 THR 16 HG22 THR 16 2.216 7.851 -10.193
115 HG23 THR 16 HG23 THR 16 1.146 6.969 -9.090
116 H ALA 17 H ALA 17 1.545 2.893 -9.504
117 HA ALA 17 HA ALA 17 -0.984 3.739 -8.296
118 HB1 ALA 17 HB1 ALA 17 -0.951 2.830 -10.553
119 HB2 ALA 17 HB2 ALA 17 -0.223 1.316 -9.958
120 HB3 ALA 17 HB3 ALA 17 -1.883 1.759 -9.481
121 H CYS 18 H CYS 18 1.584 1.386 -7.652
122 HA CYS 18 HA CYS 18 0.087 -0.146 -5.715
123 HB2 CYS 18 HB2 CYS 18 2.048 -1.021 -6.866
124 HB3 CYS 18 HB3 CYS 18 3.055 0.271 -6.209
125 H ARG 19 H ARG 19 1.967 2.857 -5.680
126 HA ARG 19 HA ARG 19 2.084 3.031 -2.779
127 HB2 ARG 19 HB2 ARG 19 3.691 3.977 -4.566
128 HB3 ARG 19 HB3 ARG 19 2.500 5.272 -4.786
129 HG2 ARG 19 HG2 ARG 19 2.700 5.834 -2.358
130 HG3 ARG 19 HG3 ARG 19 3.879 4.513 -2.172
131 HD2 ARG 19 HD2 ARG 19 5.275 5.623 -3.962
132 HD3 ARG 19 HD3 ARG 19 4.174 7.011 -3.874
133 HE ARG 19 HE ARG 19 5.352 6.138 -1.327
134 HH11 ARG 19 HH11 ARG 19 5.652 8.310 -4.100
135 HH12 ARG 19 HH12 ARG 19 6.710 9.421 -3.262
136 HH21 ARG 19 HH21 ARG 19 6.755 7.587 -0.271
137 HH22 ARG 19 HH22 ARG 19 7.323 9.019 -1.101
138 H ASN 20 H ASN 20 -0.029 4.240 -5.364
139 HA ASN 20 HA ASN 20 -1.533 5.989 -3.594
140 HB2 ASN 20 HB2 ASN 20 -2.066 4.909 -6.384
141 HB3 ASN 20 HB3 ASN 20 -3.076 6.104 -5.578
142 HD21 ASN 20 HD21 ASN 20 -2.024 6.787 -7.986
143 HD22 ASN 20 HD22 ASN 20 -0.739 7.959 -7.792
144 H HIS 21 H HIS 21 -1.629 2.568 -4.406
145 HA HIS 21 HA HIS 21 -4.401 2.242 -3.515
146 HB2 HIS 21 HB2 HIS 21 -3.413 0.886 -5.324
147 HB3 HIS 21 HB3 HIS 21 -2.211 0.251 -4.196
148 HD1 HIS 21 HD1 HIS 21 -6.087 0.178 -4.578
149 HD2 HIS 21 HD2 HIS 21 -2.845 -1.909 -2.908
150 HE1 HIS 21 HE1 HIS 21 -7.020 -2.022 -3.672
151 H CYS 22 H CYS 22 -1.113 1.810 -2.194
152 HA CYS 22 HA CYS 22 -2.079 0.569 0.249
153 HB2 CYS 22 HB2 CYS 22 0.537 1.843 -0.570
154 HB3 CYS 22 HB3 CYS 22 0.286 1.099 1.010
155 H ARG 23 H ARG 23 -1.726 3.871 -0.906
156 HA ARG 23 HA ARG 23 -1.888 4.974 1.822
157 HB2 ARG 23 HB2 ARG 23 -1.534 6.202 -0.923
158 HB3 ARG 23 HB3 ARG 23 -1.880 7.180 0.517
159 HG2 ARG 23 HG2 ARG 23 0.055 6.234 1.687
160 HG3 ARG 23 HG3 ARG 23 0.470 5.262 0.259
161 HD2 ARG 23 HD2 ARG 23 0.886 7.246 -1.063
162 HD3 ARG 23 HD3 ARG 23 0.201 8.289 0.205
163 HE ARG 23 HE ARG 23 2.308 6.879 1.398
164 HH11 ARG 23 HH11 ARG 23 1.906 9.206 -1.233
165 HH12 ARG 23 HH12 ARG 23 3.480 9.927 -0.996
166 HH21 ARG 23 HH21 ARG 23 4.342 7.838 1.696
167 HH22 ARG 23 HH22 ARG 23 4.865 9.147 0.661
168 H SER 24 H SER 24 -4.091 3.538 -0.073
169 HA SER 24 HA SER 24 -6.271 5.200 1.084
170 HB2 SER 24 HB2 SER 24 -7.659 4.673 -0.849
171 HB3 SER 24 HB3 SER 24 -6.190 5.524 -1.367
172 HG SER 24 HG SER 24 -6.631 3.699 -2.659
173 H CYS 25 H CYS 25 -8.312 3.813 1.393
174 HA CYS 25 HA CYS 25 -7.457 1.478 2.857
175 HB2 CYS 25 HB2 CYS 25 -10.273 2.401 2.203
176 HB3 CYS 25 HB3 CYS 25 -9.793 1.217 3.425
177 H HIS 26 H HIS 26 -7.392 -0.602 2.281
178 HA HIS 26 HA HIS 26 -8.774 -1.529 -0.170
179 HB2 HIS 26 HB2 HIS 26 -6.615 -2.616 -0.857
180 HB3 HIS 26 HB3 HIS 26 -6.577 -0.849 -0.936
181 HD1 HIS 26 HD1 HIS 26 -4.827 0.383 0.594
182 HD2 HIS 26 HD2 HIS 26 -5.253 -3.754 1.295
183 HE1 HIS 26 HE1 HIS 26 -2.982 -0.274 2.260
184 HE2 HIS 26 HE2 HIS 26 -3.262 -2.789 2.676
185 H ARG 27 H ARG 27 -8.579 -3.995 -0.291
186 HA ARG 27 HA ARG 27 -9.324 -5.010 2.328
187 HB2 ARG 27 HB2 ARG 27 -10.162 -5.531 -0.169
188 HB3 ARG 27 HB3 ARG 27 -8.972 -6.833 -0.011
189 HG2 ARG 27 HG2 ARG 27 -11.326 -6.264 1.850
190 HG3 ARG 27 HG3 ARG 27 -11.237 -7.567 0.661
191 HD2 ARG 27 HD2 ARG 27 -9.290 -8.525 1.892
192 HD3 ARG 27 HD3 ARG 27 -9.472 -7.245 3.117
193 HE ARG 27 HE ARG 27 -11.964 -8.347 3.056
194 HH11 ARG 27 HH11 ARG 27 -8.743 -9.758 3.381
195 HH12 ARG 27 HH12 ARG 27 -9.301 -11.110 4.341
196 HH21 ARG 27 HH21 ARG 27 -12.663 -10.110 4.330
197 HH22 ARG 27 HH22 ARG 27 -11.506 -11.294 4.882
198 H GLY 28 H GLY 28 -7.990 -5.891 3.787
199 HA2 GLY 28 HA2 GLY 28 -5.223 -6.604 3.080
200 HA3 GLY 28 HA3 GLY 28 -5.928 -6.476 4.690
201 H ASP 29 H ASP 29 -4.848 -8.558 5.119
202 HA ASP 29 HA ASP 29 -5.827 -10.910 3.672
203 HB2 ASP 29 HB2 ASP 29 -3.942 -10.569 6.028
204 HB3 ASP 29 HB3 ASP 29 -4.287 -12.100 5.218
205 H VAL 30 H VAL 30 -6.853 -9.107 6.428
206 HA VAL 30 HA VAL 30 -8.649 -11.350 7.193
207 HB VAL 30 HB VAL 30 -6.664 -11.292 8.683
208 HG11 VAL 30 HG11 VAL 30 -7.712 -8.549 9.488
209 HG12 VAL 30 HG12 VAL 30 -6.385 -9.430 10.276
210 HG13 VAL 30 HG13 VAL 30 -6.203 -8.860 8.604
211 HG21 VAL 30 HG21 VAL 30 -8.880 -12.076 9.503
212 HG22 VAL 30 HG22 VAL 30 -7.858 -11.369 10.784
213 HG23 VAL 30 HG23 VAL 30 -9.204 -10.431 10.113
214 H GLY 31 H GLY 31 -8.240 -8.052 6.392
215 HA2 GLY 31 HA2 GLY 31 -10.987 -7.442 6.383
216 HA3 GLY 31 HA3 GLY 31 -10.307 -6.806 7.897
217 H CYS 32 H CYS 32 -11.200 -4.838 6.323
218 HA CYS 32 HA CYS 32 -9.210 -4.058 4.351
219 HB2 CYS 32 HB2 CYS 32 -11.626 -2.640 5.492
220 HB3 CYS 32 HB3 CYS 32 -10.533 -1.931 4.300
221 H VAL 33 H VAL 33 -7.655 -2.548 4.429
222 HA VAL 33 HA VAL 33 -7.128 -1.107 6.951
223 HB VAL 33 HB VAL 33 -4.806 -1.904 7.002
224 HG11 VAL 33 HG11 VAL 33 -6.734 -4.257 7.007
225 HG12 VAL 33 HG12 VAL 33 -5.176 -4.149 7.854
226 HG13 VAL 33 HG13 VAL 33 -6.522 -3.102 8.350
227 HG21 VAL 33 HG21 VAL 33 -5.654 -3.838 4.806
228 HG22 VAL 33 HG22 VAL 33 -4.537 -2.461 4.618
229 HG23 VAL 33 HG23 VAL 33 -4.094 -3.833 5.649
230 H ARG 34 H ARG 34 -5.230 0.372 6.692
231 HA ARG 34 HA ARG 34 -4.627 1.164 3.901
232 HB2 ARG 34 HB2 ARG 34 -4.941 3.546 4.512
233 HB3 ARG 34 HB3 ARG 34 -6.455 2.635 4.611
234 HG2 ARG 34 HG2 ARG 34 -6.169 2.417 7.065
235 HG3 ARG 34 HG3 ARG 34 -4.665 3.373 6.968
236 HD2 ARG 34 HD2 ARG 34 -5.920 5.286 6.084
237 HD3 ARG 34 HD3 ARG 34 -7.416 4.328 6.095
238 HE ARG 34 HE ARG 34 -6.326 4.288 8.713
239 HH11 ARG 34 HH11 ARG 34 -7.818 6.561 6.449
240 HH12 ARG 34 HH12 ARG 34 -8.485 7.564 7.712
241 HH21 ARG 34 HH21 ARG 34 -7.197 5.629 10.344
242 HH22 ARG 34 HH22 ARG 34 -8.131 7.040 9.906
243 H CYS 35 H CYS 35 -2.539 2.285 3.748
244 HA CYS 35 HA CYS 35 -0.830 1.836 6.159
245 HB2 CYS 35 HB2 CYS 35 -0.183 1.139 3.290
246 HB3 CYS 35 HB3 CYS 35 0.868 0.896 4.677
247 H SER 36 H SER 36 1.574 2.627 5.223
248 HA SER 36 HA SER 36 1.099 5.548 4.928
249 HB2 SER 36 HB2 SER 36 2.246 4.615 6.958
250 HB3 SER 36 HB3 SER 36 3.555 4.039 5.909
251 HG SER 36 HG SER 36 3.982 6.114 6.809
252 H ASN 37 H ASN 37 2.955 2.846 3.502
253 HA ASN 37 HA ASN 37 3.493 4.476 1.116
254 HB2 ASN 37 HB2 ASN 37 5.310 4.949 2.860
255 HB3 ASN 37 HB3 ASN 37 5.819 3.267 2.673
256 HD21 ASN 37 HD21 ASN 37 7.890 4.378 2.041
257 HD22 ASN 37 HD22 ASN 37 8.077 4.837 0.362
258 H ALA 38 H ALA 38 5.161 2.875 -0.305
259 HA ALA 38 HA ALA 38 4.356 0.071 -0.007
260 HB1 ALA 38 HB1 ALA 38 3.256 -0.037 -2.168
261 HB2 ALA 38 HB2 ALA 38 2.461 1.230 -1.202
262 HB3 ALA 38 HB3 ALA 38 3.620 1.672 -2.484
263 H GLN 39 H GLN 39 5.276 -1.279 -1.754
264 HA GLN 39 HA GLN 39 7.321 -0.139 -3.492
265 HB2 GLN 39 HB2 GLN 39 9.138 -1.552 -2.680
266 HB3 GLN 39 HB3 GLN 39 8.596 -0.456 -1.399
267 HG2 GLN 39 HG2 GLN 39 7.323 -2.249 -0.343
268 HG3 GLN 39 HG3 GLN 39 7.692 -3.351 -1.683
269 HE21 GLN 39 HE21 GLN 39 9.418 -1.243 0.697
270 HE22 GLN 39 HE22 GLN 39 10.722 -2.381 0.983
271 H CYS 40 H CYS 40 8.184 -1.838 -4.982
272 HA CYS 40 HA CYS 40 6.084 -3.850 -5.529
273 HB2 CYS 40 HB2 CYS 40 8.432 -2.877 -7.174
274 HB3 CYS 40 HB3 CYS 40 7.262 -4.096 -7.696
275 H THR 41 H THR 41 6.498 -6.063 -5.613
276 HA THR 41 HA THR 41 9.133 -7.005 -4.610
277 HB THR 41 HB THR 41 7.944 -8.467 -3.004
278 HG1 THR 41 HG1 THR 41 5.763 -8.032 -2.612
279 HG21 THR 41 HG21 THR 41 7.394 -6.759 -1.351
280 HG22 THR 41 HG22 THR 41 8.806 -6.221 -2.284
281 HG23 THR 41 HG23 THR 41 7.198 -5.534 -2.622
282 H GLY 42 H GLY 42 8.876 -9.592 -4.449
283 HA2 GLY 42 HA2 GLY 42 8.488 -11.591 -5.538
284 HA3 GLY 42 HA3 GLY 42 7.253 -10.796 -6.526
285 H PHE 43 H PHE 43 8.502 -12.445 -8.016
286 HA PHE 43 HA PHE 43 11.082 -11.763 -8.992
287 HB2 PHE 43 HB2 PHE 43 9.973 -13.940 -9.311
288 HB3 PHE 43 HB3 PHE 43 8.771 -13.188 -10.359
289 HD1 PHE 43 HD2 PHE 43 12.545 -13.270 -10.089
290 HD2 PHE 43 HD1 PHE 43 9.081 -13.563 -12.631
291 HE1 PHE 43 HE2 PHE 43 14.004 -13.688 -12.041
292 HE2 PHE 43 HE1 PHE 43 10.551 -14.001 -14.575
293 HZ PHE 43 HZ PHE 43 13.018 -14.053 -14.281
294 H LEU 44 H LEU 44 11.788 -10.347 -10.488
295 HA LEU 44 HA LEU 44 11.830 -8.404 -11.635
296 HB2 LEU 44 HB2 LEU 44 9.450 -9.662 -13.028
297 HB3 LEU 44 HB3 LEU 44 10.432 -8.339 -13.670
298 HG LEU 44 HG LEU 44 11.453 -11.128 -13.016
299 HD11 LEU 44 HD11 LEU 44 10.915 -9.749 -15.675
300 HD12 LEU 44 HD12 LEU 44 11.635 -11.362 -15.469
301 HD13 LEU 44 HD13 LEU 44 9.949 -11.067 -14.973
302 HD21 LEU 44 HD21 LEU 44 13.238 -9.435 -12.772
303 HD22 LEU 44 HD22 LEU 44 13.491 -10.393 -14.242
304 HD23 LEU 44 HD23 LEU 44 12.819 -8.752 -14.363
305 H GLY 45 H GLY 45 9.990 -8.452 -9.166
306 HA2 GLY 45 HA2 GLY 45 8.874 -6.794 -8.050
307 HA3 GLY 45 HA3 GLY 45 9.215 -5.696 -9.399
308 H THR 46 H THR 46 7.517 -8.722 -10.012
309 HA THR 46 HA THR 46 5.358 -7.215 -11.194
310 HB THR 46 HB THR 46 4.458 -9.472 -11.792
311 HG1 THR 46 HG1 THR 46 6.846 -10.429 -10.613
312 HG21 THR 46 HG21 THR 46 6.029 -8.324 -13.286
313 HG22 THR 46 HG22 THR 46 7.407 -8.992 -12.384
314 HG23 THR 46 HG23 THR 46 6.328 -10.074 -13.301
315 H THR 47 H THR 47 5.754 -7.599 -8.022
316 HA THR 47 HA THR 47 2.830 -7.975 -7.553
317 HB THR 47 HB THR 47 5.089 -8.891 -5.735
318 HG1 THR 47 HG1 THR 47 4.838 -10.143 -7.628
319 HG21 THR 47 HG21 THR 47 2.065 -9.228 -5.604
320 HG22 THR 47 HG22 THR 47 3.229 -10.097 -4.579
321 HG23 THR 47 HG23 THR 47 3.091 -8.332 -4.450
322 H CYS 48 H CYS 48 1.972 -6.755 -5.736
323 HA CYS 48 HA CYS 48 3.579 -4.316 -5.114
324 HB2 CYS 48 HB2 CYS 48 1.675 -3.753 -6.447
325 HB3 CYS 48 HB3 CYS 48 0.612 -4.772 -5.465
326 H THR 49 H THR 49 3.835 -3.704 -3.004
327 HA THR 49 HA THR 49 2.396 -5.201 -0.880
328 HB THR 49 HB THR 49 5.419 -4.967 -1.136
329 HG1 THR 49 HG1 THR 49 4.478 -6.656 -2.317
330 HG21 THR 49 HG21 THR 49 3.686 -6.097 1.103
331 HG22 THR 49 HG22 THR 49 5.451 -6.309 0.971
332 HG23 THR 49 HG23 THR 49 4.769 -4.689 1.217
333 H CYS 50 H CYS 50 2.167 -4.049 1.054
334 HA CYS 50 HA CYS 50 2.722 -1.152 0.782
335 HB2 CYS 50 HB2 CYS 50 0.878 -2.603 2.696
336 HB3 CYS 50 HB3 CYS 50 1.011 -0.859 2.472
337 H ILE 51 H ILE 51 3.239 0.045 2.798
338 HA ILE 51 HA ILE 51 5.295 -1.429 4.381
339 HB ILE 51 HB ILE 51 5.097 1.494 3.602
340 HG12 ILE 51 HG12 ILE 51 5.681 0.096 1.671
341 HG13 ILE 51 HG13 ILE 51 7.048 1.089 2.175
342 HG21 ILE 51 HG21 ILE 51 7.426 1.623 4.489
343 HG22 ILE 51 HG22 ILE 51 6.195 1.312 5.727
344 HG23 ILE 51 HG23 ILE 51 7.237 -0.018 5.150
345 HD11 ILE 51 HD11 ILE 51 7.744 -1.187 1.599
346 HD12 ILE 51 HD12 ILE 51 8.061 -0.860 3.316
347 HD13 ILE 51 HD13 ILE 51 6.666 -1.869 2.828
348 H ASN 52 H ASN 52 5.365 -1.153 6.609
349 HA ASN 52 HA ASN 52 2.854 -0.570 7.871
350 HB2 ASN 52 HB2 ASN 52 5.638 -1.127 8.963
351 HB3 ASN 52 HB3 ASN 52 4.194 -1.029 9.963
352 HD21 ASN 52 HD21 ASN 52 5.527 -3.317 10.181
353 HD22 ASN 52 HD22 ASN 52 4.724 -4.620 9.332
354 HA PRO 53 HA PRO 53 2.392 -0.036 10.191
355 HB2 PRO 53 HB2 PRO 53 0.585 1.720 11.195
356 HB3 PRO 53 HB3 PRO 53 2.252 1.600 11.852
357 HG2 PRO 53 HG2 PRO 53 1.211 3.564 9.778
358 HG3 PRO 53 HG3 PRO 53 2.115 3.939 11.288
359 HD2 PRO 53 HD2 PRO 53 3.370 3.714 8.881
360 HD3 PRO 53 HD3 PRO 53 4.137 3.099 10.378
361 H CYS 54 H CYS 54 0.137 -0.687 9.969
362 HA CYS 54 HA CYS 54 -1.281 0.390 7.599
363 HB2 CYS 54 HB2 CYS 54 -0.561 -2.496 8.159
364 HB3 CYS 54 HB3 CYS 54 -1.864 -2.034 7.069
365 HA PRO 55 HA PRO 55 -3.919 -0.151 11.437
366 HB2 PRO 55 HB2 PRO 55 -5.149 2.307 11.304
367 HB3 PRO 55 HB3 PRO 55 -3.571 2.037 12.106
368 HG2 PRO 55 HG2 PRO 55 -4.071 2.991 9.267
369 HG3 PRO 55 HG3 PRO 55 -3.009 3.740 10.511
370 HD2 PRO 55 HD2 PRO 55 -1.968 2.095 8.645
371 HD3 PRO 55 HD3 PRO 55 -1.438 1.957 10.353
372 H ARG 56 H ARG 56 -6.297 -0.199 11.527
373 HA ARG 56 HA ARG 56 -7.331 -1.271 9.034
374 HB2 ARG 56 HB2 ARG 56 -8.649 -0.915 11.749
375 HB3 ARG 56 HB3 ARG 56 -9.318 -1.822 10.379
376 HG2 ARG 56 HG2 ARG 56 -7.283 -3.288 10.397
377 HG3 ARG 56 HG3 ARG 56 -6.724 -2.448 11.864
378 HD2 ARG 56 HD2 ARG 56 -8.834 -3.113 13.010
379 HD3 ARG 56 HD3 ARG 56 -9.347 -3.953 11.534
380 HE ARG 56 HE ARG 56 -6.763 -4.891 12.387
381 HH11 ARG 56 HH11 ARG 56 -10.207 -5.128 13.144
382 HH12 ARG 56 HH12 ARG 56 -10.060 -6.722 13.853
383 HH21 ARG 56 HH21 ARG 56 -6.603 -6.970 13.303
384 HH22 ARG 56 HH22 ARG 56 -8.026 -7.757 13.949
385 H CYS 57 H CYS 57 -9.453 -0.726 8.173
386 HA CYS 57 HA CYS 57 -10.307 2.082 8.529
387 HB2 CYS 57 HB2 CYS 57 -8.601 2.156 6.790
388 HB3 CYS 57 HB3 CYS 57 -9.398 0.845 5.911
Start of MODEL 17
1 HA PCA 1 HA PCA 1 -15.681 5.458 1.329
2 HB2 PCA 1 HB2 PCA 1 -15.231 3.902 3.891
3 HB3 PCA 1 HB3 PCA 1 -14.104 5.041 3.063
4 HG2 PCA 1 HG2 PCA 1 -15.365 6.923 3.761
5 HG3 PCA 1 HG3 PCA 1 -15.682 5.832 5.165
6 H ASN 2 H ASN 2 -14.198 3.570 0.723
7 HA ASN 2 HA ASN 2 -15.543 0.947 0.641
8 HB2 ASN 2 HB2 ASN 2 -16.222 2.279 -1.382
9 HB3 ASN 2 HB3 ASN 2 -14.516 2.470 -1.792
10 HD21 ASN 2 HD21 ASN 2 -15.038 1.450 -3.823
11 HD22 ASN 2 HD22 ASN 2 -15.202 -0.293 -3.926
12 H CYS 3 H CYS 3 -14.066 -0.773 0.044
13 HA CYS 3 HA CYS 3 -11.184 -0.137 -0.002
14 HB2 CYS 3 HB2 CYS 3 -10.809 -1.857 1.791
15 HB3 CYS 3 HB3 CYS 3 -11.457 -0.308 2.318
16 HA PRO 4 HA PRO 4 -12.366 -3.587 -2.832
17 HB2 PRO 4 HB2 PRO 4 -11.110 -2.676 -5.052
18 HB3 PRO 4 HB3 PRO 4 -12.676 -1.984 -4.515
19 HG2 PRO 4 HG2 PRO 4 -9.879 -0.928 -3.962
20 HG3 PRO 4 HG3 PRO 4 -11.281 -0.021 -4.621
21 HD2 PRO 4 HD2 PRO 4 -10.648 0.023 -1.967
22 HD3 PRO 4 HD3 PRO 4 -12.355 0.020 -2.518
23 H THR 5 H THR 5 -10.770 -4.878 -4.307
24 HA THR 5 HA THR 5 -8.121 -5.094 -2.949
25 HB THR 5 HB THR 5 -9.695 -7.296 -4.330
26 HG1 THR 5 HG1 THR 5 -10.162 -7.981 -2.243
27 HG21 THR 5 HG21 THR 5 -8.105 -8.768 -3.131
28 HG22 THR 5 HG22 THR 5 -7.254 -7.663 -4.225
29 HG23 THR 5 HG23 THR 5 -7.270 -7.332 -2.479
30 H ARG 6 H ARG 6 -6.327 -4.935 -4.256
31 HA ARG 6 HA ARG 6 -6.639 -5.365 -7.166
32 HB2 ARG 6 HB2 ARG 6 -5.377 -2.857 -5.996
33 HB3 ARG 6 HB3 ARG 6 -5.455 -3.310 -7.704
34 HG2 ARG 6 HG2 ARG 6 -7.973 -3.295 -7.538
35 HG3 ARG 6 HG3 ARG 6 -7.804 -2.667 -5.884
36 HD2 ARG 6 HD2 ARG 6 -8.190 -0.814 -7.369
37 HD3 ARG 6 HD3 ARG 6 -6.511 -0.733 -6.786
38 HE ARG 6 HE ARG 6 -6.698 -2.174 -9.285
39 HH11 ARG 6 HH11 ARG 6 -6.697 1.091 -7.920
40 HH12 ARG 6 HH12 ARG 6 -6.108 1.826 -9.396
41 HH21 ARG 6 HH21 ARG 6 -5.917 -1.186 -11.179
42 HH22 ARG 6 HH22 ARG 6 -5.650 0.537 -11.229
43 H ARG 7 H ARG 7 -4.804 -6.135 -8.148
44 HA ARG 7 HA ARG 7 -2.272 -6.341 -6.617
45 HB2 ARG 7 HB2 ARG 7 -3.729 -8.690 -7.891
46 HB3 ARG 7 HB3 ARG 7 -2.118 -8.750 -7.163
47 HG2 ARG 7 HG2 ARG 7 -4.698 -8.106 -5.678
48 HG3 ARG 7 HG3 ARG 7 -3.891 -9.672 -5.683
49 HD2 ARG 7 HD2 ARG 7 -2.615 -7.093 -4.680
50 HD3 ARG 7 HD3 ARG 7 -3.407 -8.292 -3.654
51 HE ARG 7 HE ARG 7 -1.612 -9.847 -4.928
52 HH11 ARG 7 HH11 ARG 7 -1.243 -6.683 -3.396
53 HH12 ARG 7 HH12 ARG 7 0.440 -6.937 -2.996
54 HH21 ARG 7 HH21 ARG 7 0.575 -10.180 -4.327
55 HH22 ARG 7 HH22 ARG 7 1.451 -8.920 -3.486
56 H GLY 8 H GLY 8 -0.481 -7.108 -8.083
57 HA2 GLY 8 HA2 GLY 8 0.660 -7.138 -10.066
58 HA3 GLY 8 HA3 GLY 8 -0.886 -7.199 -10.935
59 H LEU 9 H LEU 9 -0.412 -4.564 -8.671
60 HA LEU 9 HA LEU 9 -0.919 -2.616 -10.684
61 HB2 LEU 9 HB2 LEU 9 0.181 -2.373 -7.856
62 HB3 LEU 9 HB3 LEU 9 -0.400 -1.014 -8.828
63 HG LEU 9 HG LEU 9 -2.126 -3.411 -8.066
64 HD11 LEU 9 HD11 LEU 9 -2.000 -0.614 -6.870
65 HD12 LEU 9 HD12 LEU 9 -3.156 -1.894 -6.431
66 HD13 LEU 9 HD13 LEU 9 -1.423 -2.102 -6.083
67 HD21 LEU 9 HD21 LEU 9 -2.787 -0.672 -9.235
68 HD22 LEU 9 HD22 LEU 9 -2.892 -2.232 -10.093
69 HD23 LEU 9 HD23 LEU 9 -3.976 -1.892 -8.728
70 H CYS 10 H CYS 10 2.041 -4.196 -9.867
71 HA CYS 10 HA CYS 10 3.669 -1.914 -10.818
72 HB2 CYS 10 HB2 CYS 10 4.250 -3.080 -8.731
73 HB3 CYS 10 HB3 CYS 10 4.447 -4.587 -9.629
74 H VAL 11 H VAL 11 1.998 -4.445 -12.253
75 HA VAL 11 HA VAL 11 4.117 -5.364 -14.041
76 HB VAL 11 HB VAL 11 1.112 -5.844 -14.058
77 HG11 VAL 11 HG11 VAL 11 3.383 -7.292 -15.487
78 HG12 VAL 11 HG12 VAL 11 1.690 -7.823 -15.441
79 HG13 VAL 11 HG13 VAL 11 2.109 -6.316 -16.264
80 HG21 VAL 11 HG21 VAL 11 2.236 -6.684 -11.999
81 HG22 VAL 11 HG22 VAL 11 1.676 -8.008 -13.037
82 HG23 VAL 11 HG23 VAL 11 3.395 -7.576 -13.022
83 H THR 12 H THR 12 1.600 -2.865 -14.097
84 HA THR 12 HA THR 12 2.706 -1.933 -16.658
85 HB THR 12 HB THR 12 1.029 -3.632 -17.300
86 HG1 THR 12 HG1 THR 12 -0.094 -2.247 -18.695
87 HG21 THR 12 HG21 THR 12 -0.523 -3.402 -15.374
88 HG22 THR 12 HG22 THR 12 -0.998 -1.789 -15.962
89 HG23 THR 12 HG23 THR 12 -1.360 -3.230 -16.931
90 H SER 13 H SER 13 0.625 -1.431 -13.825
91 HA SER 13 HA SER 13 -0.017 1.318 -14.587
92 HB2 SER 13 HB2 SER 13 -0.465 -0.326 -12.073
93 HB3 SER 13 HB3 SER 13 -1.036 1.339 -12.312
94 HG SER 13 HG SER 13 -2.609 -0.242 -12.882
95 H GLY 14 H GLY 14 2.473 -0.343 -12.856
96 HA2 GLY 14 HA2 GLY 14 4.590 0.524 -12.394
97 HA3 GLY 14 HA3 GLY 14 3.968 2.173 -12.551
98 H LEU 15 H LEU 15 5.659 1.737 -10.524
99 HA LEU 15 HA LEU 15 4.629 0.733 -8.085
100 HB2 LEU 15 HB2 LEU 15 6.993 1.120 -8.478
101 HB3 LEU 15 HB3 LEU 15 6.716 2.850 -8.728
102 HG LEU 15 HG LEU 15 6.015 3.113 -6.394
103 HD11 LEU 15 HD11 LEU 15 5.104 0.846 -5.963
104 HD12 LEU 15 HD12 LEU 15 6.737 0.159 -6.127
105 HD13 LEU 15 HD13 LEU 15 6.356 1.257 -4.778
106 HD21 LEU 15 HD21 LEU 15 8.383 3.382 -7.004
107 HD22 LEU 15 HD22 LEU 15 8.221 2.729 -5.362
108 HD23 LEU 15 HD23 LEU 15 8.669 1.651 -6.701
109 H THR 16 H THR 16 4.131 3.844 -9.717
110 HA THR 16 HA THR 16 3.270 5.353 -7.466
111 HB THR 16 HB THR 16 2.332 5.550 -10.355
112 HG1 THR 16 HG1 THR 16 4.115 6.936 -10.561
113 HG21 THR 16 HG21 THR 16 2.555 7.618 -8.121
114 HG22 THR 16 HG22 THR 16 2.120 7.966 -9.810
115 HG23 THR 16 HG23 THR 16 1.045 6.973 -8.810
116 H ALA 17 H ALA 17 1.569 2.949 -9.493
117 HA ALA 17 HA ALA 17 -1.045 3.649 -8.399
118 HB1 ALA 17 HB1 ALA 17 -0.086 1.230 -9.984
119 HB2 ALA 17 HB2 ALA 17 -1.778 1.658 -9.647
120 HB3 ALA 17 HB3 ALA 17 -0.787 2.724 -10.661
121 H CYS 18 H CYS 18 1.571 1.366 -7.648
122 HA CYS 18 HA CYS 18 0.030 -0.183 -5.748
123 HB2 CYS 18 HB2 CYS 18 1.978 -1.111 -6.862
124 HB3 CYS 18 HB3 CYS 18 2.995 0.204 -6.274
125 H ARG 19 H ARG 19 1.964 2.796 -5.675
126 HA ARG 19 HA ARG 19 2.106 2.919 -2.780
127 HB2 ARG 19 HB2 ARG 19 3.674 3.904 -4.594
128 HB3 ARG 19 HB3 ARG 19 2.489 5.217 -4.714
129 HG2 ARG 19 HG2 ARG 19 2.778 5.657 -2.261
130 HG3 ARG 19 HG3 ARG 19 3.935 4.310 -2.180
131 HD2 ARG 19 HD2 ARG 19 5.309 5.509 -3.945
132 HD3 ARG 19 HD3 ARG 19 4.215 6.893 -3.760
133 HE ARG 19 HE ARG 19 5.372 5.930 -1.248
134 HH11 ARG 19 HH11 ARG 19 5.828 8.098 -4.017
135 HH12 ARG 19 HH12 ARG 19 6.942 9.135 -3.161
136 HH21 ARG 19 HH21 ARG 19 6.828 7.291 -0.176
137 HH22 ARG 19 HH22 ARG 19 7.501 8.686 -0.991
138 H ASN 20 H ASN 20 -0.094 4.056 -5.282
139 HA ASN 20 HA ASN 20 -1.582 5.796 -3.464
140 HB2 ASN 20 HB2 ASN 20 -2.168 4.700 -6.240
141 HB3 ASN 20 HB3 ASN 20 -3.207 5.841 -5.387
142 HD21 ASN 20 HD21 ASN 20 -2.221 6.530 -7.861
143 HD22 ASN 20 HD22 ASN 20 -1.033 7.803 -7.683
144 H HIS 21 H HIS 21 -1.744 2.390 -4.504
145 HA HIS 21 HA HIS 21 -4.427 2.004 -3.465
146 HB2 HIS 21 HB2 HIS 21 -3.454 0.663 -5.289
147 HB3 HIS 21 HB3 HIS 21 -2.229 0.033 -4.176
148 HD1 HIS 21 HD1 HIS 21 -6.103 -0.051 -4.519
149 HD2 HIS 21 HD2 HIS 21 -2.849 -2.118 -2.852
150 HE1 HIS 21 HE1 HIS 21 -7.037 -2.226 -3.571
151 H CYS 22 H CYS 22 -1.117 1.643 -2.196
152 HA CYS 22 HA CYS 22 -1.983 0.318 0.242
153 HB2 CYS 22 HB2 CYS 22 0.565 1.726 -0.595
154 HB3 CYS 22 HB3 CYS 22 0.364 0.936 0.972
155 H ARG 23 H ARG 23 -1.624 3.708 -0.795
156 HA ARG 23 HA ARG 23 -1.825 4.675 1.975
157 HB2 ARG 23 HB2 ARG 23 -1.571 6.010 -0.736
158 HB3 ARG 23 HB3 ARG 23 -1.894 6.925 0.749
159 HG2 ARG 23 HG2 ARG 23 0.110 5.990 1.814
160 HG3 ARG 23 HG3 ARG 23 0.482 5.058 0.353
161 HD2 ARG 23 HD2 ARG 23 0.811 7.076 -0.934
162 HD3 ARG 23 HD3 ARG 23 0.171 8.084 0.382
163 HE ARG 23 HE ARG 23 2.316 6.730 1.511
164 HH11 ARG 23 HH11 ARG 23 1.878 8.920 -1.225
165 HH12 ARG 23 HH12 ARG 23 3.483 9.606 -1.086
166 HH21 ARG 23 HH21 ARG 23 4.381 7.650 1.690
167 HH22 ARG 23 HH22 ARG 23 4.902 8.885 0.567
168 H SER 24 H SER 24 -3.995 3.921 -0.655
169 HA SER 24 HA SER 24 -6.216 5.253 0.778
170 HB2 SER 24 HB2 SER 24 -7.590 4.514 -1.130
171 HB3 SER 24 HB3 SER 24 -6.214 5.511 -1.638
172 HG SER 24 HG SER 24 -5.180 3.716 -2.349
173 H CYS 25 H CYS 25 -8.251 3.818 1.113
174 HA CYS 25 HA CYS 25 -7.326 1.573 2.706
175 HB2 CYS 25 HB2 CYS 25 -10.162 2.442 2.096
176 HB3 CYS 25 HB3 CYS 25 -9.619 1.363 3.391
177 H HIS 26 H HIS 26 -7.470 -0.570 2.351
178 HA HIS 26 HA HIS 26 -8.734 -1.562 -0.139
179 HB2 HIS 26 HB2 HIS 26 -6.584 -2.742 -0.678
180 HB3 HIS 26 HB3 HIS 26 -6.503 -0.987 -0.845
181 HD1 HIS 26 HD1 HIS 26 -4.671 0.241 0.496
182 HD2 HIS 26 HD2 HIS 26 -5.438 -3.699 1.776
183 HE1 HIS 26 HE1 HIS 26 -2.913 -0.302 2.296
184 HE2 HIS 26 HE2 HIS 26 -3.405 -2.702 3.068
185 H ARG 27 H ARG 27 -8.490 -4.042 -0.183
186 HA ARG 27 HA ARG 27 -9.541 -4.983 2.335
187 HB2 ARG 27 HB2 ARG 27 -10.213 -5.632 -0.071
188 HB3 ARG 27 HB3 ARG 27 -8.767 -6.650 -0.074
189 HG2 ARG 27 HG2 ARG 27 -10.737 -7.972 0.509
190 HG3 ARG 27 HG3 ARG 27 -9.650 -7.884 1.908
191 HD2 ARG 27 HD2 ARG 27 -12.044 -7.547 2.524
192 HD3 ARG 27 HD3 ARG 27 -11.037 -6.153 2.931
193 HE ARG 27 HE ARG 27 -11.973 -4.918 1.103
194 HH11 ARG 27 HH11 ARG 27 -13.539 -8.063 1.578
195 HH12 ARG 27 HH12 ARG 27 -14.946 -7.612 0.646
196 HH21 ARG 27 HH21 ARG 27 -13.771 -4.387 -0.109
197 HH22 ARG 27 HH22 ARG 27 -15.085 -5.526 -0.304
198 H GLY 28 H GLY 28 -8.656 -6.342 3.833
199 HA2 GLY 28 HA2 GLY 28 -5.761 -7.032 3.543
200 HA3 GLY 28 HA3 GLY 28 -6.562 -6.650 5.072
201 H ASP 29 H ASP 29 -5.484 -8.840 5.548
202 HA ASP 29 HA ASP 29 -6.810 -11.182 4.387
203 HB2 ASP 29 HB2 ASP 29 -4.717 -10.880 6.571
204 HB3 ASP 29 HB3 ASP 29 -5.274 -12.416 5.886
205 H VAL 30 H VAL 30 -7.419 -9.085 7.050
206 HA VAL 30 HA VAL 30 -9.321 -11.091 8.181
207 HB VAL 30 HB VAL 30 -7.569 -9.134 9.725
208 HG11 VAL 30 HG11 VAL 30 -9.712 -9.474 10.866
209 HG12 VAL 30 HG12 VAL 30 -9.577 -11.233 10.654
210 HG13 VAL 30 HG13 VAL 30 -8.440 -10.365 11.719
211 HG21 VAL 30 HG21 VAL 30 -6.259 -11.041 8.893
212 HG22 VAL 30 HG22 VAL 30 -6.507 -11.184 10.639
213 HG23 VAL 30 HG23 VAL 30 -7.479 -12.174 9.523
214 H GLY 31 H GLY 31 -8.709 -7.885 7.013
215 HA2 GLY 31 HA2 GLY 31 -11.413 -7.147 6.831
216 HA3 GLY 31 HA3 GLY 31 -10.775 -6.438 8.328
217 H CYS 32 H CYS 32 -11.523 -4.562 6.587
218 HA CYS 32 HA CYS 32 -9.451 -3.955 4.658
219 HB2 CYS 32 HB2 CYS 32 -11.817 -2.358 5.673
220 HB3 CYS 32 HB3 CYS 32 -10.684 -1.794 4.440
221 H VAL 33 H VAL 33 -7.927 -2.390 4.666
222 HA VAL 33 HA VAL 33 -7.328 -0.861 7.123
223 HB VAL 33 HB VAL 33 -4.996 -1.712 7.146
224 HG11 VAL 33 HG11 VAL 33 -7.018 -3.967 7.478
225 HG12 VAL 33 HG12 VAL 33 -5.426 -3.824 8.259
226 HG13 VAL 33 HG13 VAL 33 -6.720 -2.673 8.662
227 HG21 VAL 33 HG21 VAL 33 -4.851 -2.526 4.828
228 HG22 VAL 33 HG22 VAL 33 -4.426 -3.801 5.982
229 HG23 VAL 33 HG23 VAL 33 -6.020 -3.818 5.200
230 H ARG 34 H ARG 34 -5.331 0.526 6.745
231 HA ARG 34 HA ARG 34 -4.672 0.976 3.905
232 HB2 ARG 34 HB2 ARG 34 -4.989 3.353 4.042
233 HB3 ARG 34 HB3 ARG 34 -6.510 2.575 4.513
234 HG2 ARG 34 HG2 ARG 34 -5.904 2.904 6.924
235 HG3 ARG 34 HG3 ARG 34 -4.434 3.760 6.406
236 HD2 ARG 34 HD2 ARG 34 -7.309 4.573 5.842
237 HD3 ARG 34 HD3 ARG 34 -6.161 5.375 6.937
238 HE ARG 34 HE ARG 34 -5.072 5.225 4.287
239 HH11 ARG 34 HH11 ARG 34 -7.513 6.970 6.164
240 HH12 ARG 34 HH12 ARG 34 -7.451 8.380 5.131
241 HH21 ARG 34 HH21 ARG 34 -5.040 7.041 2.961
242 HH22 ARG 34 HH22 ARG 34 -6.032 8.436 3.340
243 H CYS 35 H CYS 35 -2.566 2.064 3.682
244 HA CYS 35 HA CYS 35 -0.900 1.740 6.141
245 HB2 CYS 35 HB2 CYS 35 -0.169 1.040 3.295
246 HB3 CYS 35 HB3 CYS 35 0.845 0.818 4.708
247 H SER 36 H SER 36 1.500 2.597 5.318
248 HA SER 36 HA SER 36 0.970 5.489 4.914
249 HB2 SER 36 HB2 SER 36 3.228 3.941 6.237
250 HB3 SER 36 HB3 SER 36 3.179 5.702 6.066
251 HG SER 36 HG SER 36 1.293 4.066 7.419
252 H ASN 37 H ASN 37 2.853 2.770 3.566
253 HA ASN 37 HA ASN 37 3.556 4.439 1.267
254 HB2 ASN 37 HB2 ASN 37 5.305 4.870 3.096
255 HB3 ASN 37 HB3 ASN 37 5.799 3.185 2.903
256 HD21 ASN 37 HD21 ASN 37 7.906 4.258 2.368
257 HD22 ASN 37 HD22 ASN 37 8.170 4.767 0.713
258 H ALA 38 H ALA 38 5.248 2.869 -0.122
259 HA ALA 38 HA ALA 38 4.417 0.063 0.064
260 HB1 ALA 38 HB1 ALA 38 2.550 1.274 -1.128
261 HB2 ALA 38 HB2 ALA 38 3.737 1.745 -2.370
262 HB3 ALA 38 HB3 ALA 38 3.351 0.032 -2.116
263 H GLN 39 H GLN 39 5.361 -1.215 -1.743
264 HA GLN 39 HA GLN 39 7.528 -0.032 -3.310
265 HB2 GLN 39 HB2 GLN 39 9.205 -1.633 -2.538
266 HB3 GLN 39 HB3 GLN 39 8.678 -0.603 -1.196
267 HG2 GLN 39 HG2 GLN 39 7.237 -2.377 -0.342
268 HG3 GLN 39 HG3 GLN 39 7.569 -3.391 -1.752
269 HE21 GLN 39 HE21 GLN 39 9.347 -1.661 0.889
270 HE22 GLN 39 HE22 GLN 39 10.564 -2.910 1.093
271 H CYS 40 H CYS 40 8.396 -1.708 -4.864
272 HA CYS 40 HA CYS 40 6.246 -3.666 -5.520
273 HB2 CYS 40 HB2 CYS 40 6.435 -2.064 -7.253
274 HB3 CYS 40 HB3 CYS 40 8.203 -2.155 -7.264
275 H THR 41 H THR 41 6.706 -5.756 -5.895
276 HA THR 41 HA THR 41 9.491 -6.690 -5.384
277 HB THR 41 HB THR 41 8.518 -8.515 -4.021
278 HG1 THR 41 HG1 THR 41 6.349 -8.251 -3.344
279 HG21 THR 41 HG21 THR 41 8.029 -7.178 -2.021
280 HG22 THR 41 HG22 THR 41 9.365 -6.436 -2.938
281 HG23 THR 41 HG23 THR 41 7.734 -5.740 -3.016
282 H GLY 42 H GLY 42 9.416 -9.257 -5.775
283 HA2 GLY 42 HA2 GLY 42 8.942 -11.016 -7.227
284 HA3 GLY 42 HA3 GLY 42 7.799 -9.990 -8.116
285 H PHE 43 H PHE 43 9.458 -11.559 -9.592
286 HA PHE 43 HA PHE 43 12.014 -10.431 -10.187
287 HB2 PHE 43 HB2 PHE 43 11.388 -12.749 -10.639
288 HB3 PHE 43 HB3 PHE 43 10.185 -12.217 -11.817
289 HD1 PHE 43 HD2 PHE 43 13.842 -11.616 -11.110
290 HD2 PHE 43 HD1 PHE 43 10.806 -12.453 -14.042
291 HE1 PHE 43 HE2 PHE 43 15.579 -11.709 -12.883
292 HE2 PHE 43 HE1 PHE 43 12.546 -12.543 -15.813
293 HZ PHE 43 HZ PHE 43 14.923 -12.171 -15.236
294 H LEU 44 H LEU 44 12.636 -8.856 -11.540
295 HA LEU 44 HA LEU 44 12.502 -6.908 -12.648
296 HB2 LEU 44 HB2 LEU 44 10.516 -8.421 -14.375
297 HB3 LEU 44 HB3 LEU 44 11.392 -6.959 -14.834
298 HG LEU 44 HG LEU 44 12.694 -9.624 -14.133
299 HD11 LEU 44 HD11 LEU 44 12.286 -8.200 -16.803
300 HD12 LEU 44 HD12 LEU 44 13.202 -9.701 -16.561
301 HD13 LEU 44 HD13 LEU 44 11.452 -9.674 -16.265
302 HD21 LEU 44 HD21 LEU 44 14.174 -7.722 -13.605
303 HD22 LEU 44 HD22 LEU 44 14.736 -8.558 -15.067
304 HD23 LEU 44 HD23 LEU 44 13.861 -7.017 -15.210
305 H GLY 45 H GLY 45 10.344 -7.508 -10.503
306 HA2 GLY 45 HA2 GLY 45 8.798 -6.209 -9.425
307 HA3 GLY 45 HA3 GLY 45 9.041 -4.939 -10.635
308 H THR 46 H THR 46 7.017 -7.516 -9.547
309 HA THR 46 HA THR 46 5.032 -6.847 -11.623
310 HB THR 46 HB THR 46 4.518 -9.307 -11.894
311 HG1 THR 46 HG1 THR 46 5.648 -10.086 -10.115
312 HG21 THR 46 HG21 THR 46 5.748 -8.037 -13.610
313 HG22 THR 46 HG22 THR 46 7.290 -8.448 -12.820
314 HG23 THR 46 HG23 THR 46 6.279 -9.730 -13.526
315 H THR 47 H THR 47 5.705 -6.961 -8.440
316 HA THR 47 HA THR 47 2.921 -7.717 -7.715
317 HB THR 47 HB THR 47 5.448 -8.533 -6.225
318 HG1 THR 47 HG1 THR 47 4.846 -10.599 -6.907
319 HG21 THR 47 HG21 THR 47 3.833 -9.942 -4.920
320 HG22 THR 47 HG22 THR 47 3.577 -8.206 -4.686
321 HG23 THR 47 HG23 THR 47 2.496 -9.127 -5.767
322 H CYS 48 H CYS 48 2.106 -6.661 -5.845
323 HA CYS 48 HA CYS 48 3.566 -4.148 -5.175
324 HB2 CYS 48 HB2 CYS 48 1.495 -3.778 -6.383
325 HB3 CYS 48 HB3 CYS 48 0.611 -4.822 -5.269
326 H THR 49 H THR 49 3.969 -3.645 -3.083
327 HA THR 49 HA THR 49 2.761 -5.310 -0.933
328 HB THR 49 HB THR 49 5.735 -4.797 -1.332
329 HG1 THR 49 HG1 THR 49 4.911 -6.507 -2.544
330 HG21 THR 49 HG21 THR 49 4.224 -6.170 0.935
331 HG22 THR 49 HG22 THR 49 5.985 -6.205 0.712
332 HG23 THR 49 HG23 THR 49 5.173 -4.661 1.048
333 H CYS 50 H CYS 50 2.394 -4.172 0.975
334 HA CYS 50 HA CYS 50 2.839 -1.245 0.775
335 HB2 CYS 50 HB2 CYS 50 0.989 -2.810 2.595
336 HB3 CYS 50 HB3 CYS 50 1.083 -1.055 2.424
337 H ILE 51 H ILE 51 3.240 -0.087 2.849
338 HA ILE 51 HA ILE 51 5.294 -1.532 4.466
339 HB ILE 51 HB ILE 51 5.070 1.393 3.698
340 HG12 ILE 51 HG12 ILE 51 5.707 0.008 1.761
341 HG13 ILE 51 HG13 ILE 51 7.038 1.040 2.288
342 HG21 ILE 51 HG21 ILE 51 7.395 1.550 4.622
343 HG22 ILE 51 HG22 ILE 51 6.154 1.226 5.835
344 HG23 ILE 51 HG23 ILE 51 7.205 -0.098 5.268
345 HD11 ILE 51 HD11 ILE 51 8.108 -0.863 3.422
346 HD12 ILE 51 HD12 ILE 51 6.748 -1.920 2.952
347 HD13 ILE 51 HD13 ILE 51 7.798 -1.218 1.705
348 H ASN 52 H ASN 52 5.302 -1.272 6.685
349 HA ASN 52 HA ASN 52 2.760 -0.652 7.888
350 HB2 ASN 52 HB2 ASN 52 5.494 -1.346 9.026
351 HB3 ASN 52 HB3 ASN 52 4.035 -1.198 10.005
352 HD21 ASN 52 HD21 ASN 52 5.310 -3.553 10.160
353 HD22 ASN 52 HD22 ASN 52 4.448 -4.798 9.284
354 HA PRO 53 HA PRO 53 2.269 -0.144 10.230
355 HB2 PRO 53 HB2 PRO 53 0.529 1.660 11.263
356 HB3 PRO 53 HB3 PRO 53 2.179 1.458 11.934
357 HG2 PRO 53 HG2 PRO 53 1.256 3.523 9.910
358 HG3 PRO 53 HG3 PRO 53 2.153 3.803 11.436
359 HD2 PRO 53 HD2 PRO 53 3.434 3.586 9.036
360 HD3 PRO 53 HD3 PRO 53 4.147 2.896 10.532
361 H CYS 54 H CYS 54 -0.005 -0.668 9.989
362 HA CYS 54 HA CYS 54 -1.356 0.485 7.615
363 HB2 CYS 54 HB2 CYS 54 -0.872 -2.439 8.218
364 HB3 CYS 54 HB3 CYS 54 -2.079 -1.870 7.063
365 HA PRO 55 HA PRO 55 -3.979 0.219 11.492
366 HB2 PRO 55 HB2 PRO 55 -5.061 2.729 11.303
367 HB3 PRO 55 HB3 PRO 55 -3.455 2.407 12.042
368 HG2 PRO 55 HG2 PRO 55 -4.032 3.246 9.182
369 HG3 PRO 55 HG3 PRO 55 -2.898 4.010 10.348
370 HD2 PRO 55 HD2 PRO 55 -1.973 2.230 8.564
371 HD3 PRO 55 HD3 PRO 55 -1.422 2.129 10.262
372 H ARG 56 H ARG 56 -6.372 0.508 11.678
373 HA ARG 56 HA ARG 56 -7.687 -0.773 9.464
374 HB2 ARG 56 HB2 ARG 56 -8.841 0.530 11.962
375 HB3 ARG 56 HB3 ARG 56 -9.703 -0.561 10.872
376 HG2 ARG 56 HG2 ARG 56 -7.344 -1.253 12.659
377 HG3 ARG 56 HG3 ARG 56 -9.021 -1.785 12.825
378 HD2 ARG 56 HD2 ARG 56 -7.054 -2.537 10.645
379 HD3 ARG 56 HD3 ARG 56 -7.726 -3.600 11.878
380 HE ARG 56 HE ARG 56 -9.006 -2.750 9.385
381 HH11 ARG 56 HH11 ARG 56 -9.568 -4.042 12.629
382 HH12 ARG 56 HH12 ARG 56 -11.128 -4.714 12.209
383 HH21 ARG 56 HH21 ARG 56 -11.033 -3.585 8.884
384 HH22 ARG 56 HH22 ARG 56 -11.959 -4.458 10.091
385 H CYS 57 H CYS 57 -9.672 -0.051 8.493
386 HA CYS 57 HA CYS 57 -10.238 2.824 8.385
387 HB2 CYS 57 HB2 CYS 57 -8.502 2.591 6.673
388 HB3 CYS 57 HB3 CYS 57 -9.364 1.238 5.944
Start of MODEL 18
1 HA PCA 1 HA PCA 1 -17.545 -1.514 -1.320
2 HB2 PCA 1 HB2 PCA 1 -15.361 -2.867 -0.370
3 HB3 PCA 1 HB3 PCA 1 -16.819 -3.724 -0.983
4 HG2 PCA 1 HG2 PCA 1 -15.217 -4.675 -2.436
5 HG3 PCA 1 HG3 PCA 1 -14.217 -3.171 -2.438
6 H ASN 2 H ASN 2 -16.091 -0.492 0.379
7 HA ASN 2 HA ASN 2 -14.664 1.739 -0.784
8 HB2 ASN 2 HB2 ASN 2 -16.184 1.801 1.256
9 HB3 ASN 2 HB3 ASN 2 -14.925 0.925 2.133
10 HD21 ASN 2 HD21 ASN 2 -14.886 2.785 3.594
11 HD22 ASN 2 HD22 ASN 2 -14.002 4.224 3.139
12 H CYS 3 H CYS 3 -13.769 -1.385 -0.405
13 HA CYS 3 HA CYS 3 -10.910 -0.731 -0.366
14 HB2 CYS 3 HB2 CYS 3 -10.569 -2.577 1.372
15 HB3 CYS 3 HB3 CYS 3 -11.079 -0.987 1.936
16 HA PRO 4 HA PRO 4 -11.888 -4.168 -3.261
17 HB2 PRO 4 HB2 PRO 4 -10.543 -3.215 -5.398
18 HB3 PRO 4 HB3 PRO 4 -12.136 -2.540 -4.923
19 HG2 PRO 4 HG2 PRO 4 -9.385 -1.470 -4.214
20 HG3 PRO 4 HG3 PRO 4 -10.758 -0.569 -4.948
21 HD2 PRO 4 HD2 PRO 4 -10.285 -0.537 -2.261
22 HD3 PRO 4 HD3 PRO 4 -11.949 -0.552 -2.916
23 H THR 5 H THR 5 -10.077 -5.347 -4.702
24 HA THR 5 HA THR 5 -7.569 -5.501 -3.085
25 HB THR 5 HB THR 5 -8.992 -7.842 -4.396
26 HG1 THR 5 HG1 THR 5 -10.238 -7.047 -2.692
27 HG21 THR 5 HG21 THR 5 -6.736 -7.636 -2.354
28 HG22 THR 5 HG22 THR 5 -7.488 -9.144 -2.923
29 HG23 THR 5 HG23 THR 5 -6.575 -8.125 -4.059
30 H ARG 6 H ARG 6 -5.820 -5.041 -4.265
31 HA ARG 6 HA ARG 6 -5.610 -6.010 -7.051
32 HB2 ARG 6 HB2 ARG 6 -5.114 -3.149 -6.124
33 HB3 ARG 6 HB3 ARG 6 -4.662 -3.775 -7.710
34 HG2 ARG 6 HG2 ARG 6 -7.515 -3.620 -6.641
35 HG3 ARG 6 HG3 ARG 6 -6.766 -2.437 -7.714
36 HD2 ARG 6 HD2 ARG 6 -7.155 -5.383 -8.383
37 HD3 ARG 6 HD3 ARG 6 -8.181 -4.059 -8.947
38 HE ARG 6 HE ARG 6 -5.656 -3.287 -9.736
39 HH11 ARG 6 HH11 ARG 6 -7.627 -6.181 -10.227
40 HH12 ARG 6 HH12 ARG 6 -6.889 -6.567 -11.763
41 HH21 ARG 6 HH21 ARG 6 -4.710 -3.814 -11.745
42 HH22 ARG 6 HH22 ARG 6 -5.257 -5.222 -12.627
43 H ARG 7 H ARG 7 -3.538 -6.682 -7.531
44 HA ARG 7 HA ARG 7 -1.344 -5.936 -5.655
45 HB2 ARG 7 HB2 ARG 7 -2.038 -8.753 -6.560
46 HB3 ARG 7 HB3 ARG 7 -0.587 -8.299 -5.654
47 HG2 ARG 7 HG2 ARG 7 -3.455 -7.997 -4.673
48 HG3 ARG 7 HG3 ARG 7 -2.349 -9.296 -4.227
49 HD2 ARG 7 HD2 ARG 7 -1.931 -6.338 -3.630
50 HD3 ARG 7 HD3 ARG 7 -2.468 -7.557 -2.478
51 HE ARG 7 HE ARG 7 0.241 -7.047 -3.377
52 HH11 ARG 7 HH11 ARG 7 -1.882 -9.577 -2.108
53 HH12 ARG 7 HH12 ARG 7 -0.565 -10.496 -1.422
54 HH21 ARG 7 HH21 ARG 7 1.917 -8.222 -2.451
55 HH22 ARG 7 HH22 ARG 7 1.598 -9.727 -1.625
56 H GLY 8 H GLY 8 -2.469 -6.397 -8.859
57 HA2 GLY 8 HA2 GLY 8 0.203 -6.887 -9.999
58 HA3 GLY 8 HA3 GLY 8 -1.347 -6.847 -10.865
59 H LEU 9 H LEU 9 -0.896 -4.206 -8.696
60 HA LEU 9 HA LEU 9 -1.244 -2.278 -10.723
61 HB2 LEU 9 HB2 LEU 9 -0.131 -2.062 -7.900
62 HB3 LEU 9 HB3 LEU 9 -0.645 -0.678 -8.874
63 HG LEU 9 HG LEU 9 -2.482 -2.997 -8.143
64 HD11 LEU 9 HD11 LEU 9 -2.198 -0.245 -6.882
65 HD12 LEU 9 HD12 LEU 9 -3.449 -1.442 -6.498
66 HD13 LEU 9 HD13 LEU 9 -1.746 -1.791 -6.125
67 HD21 LEU 9 HD21 LEU 9 -3.177 -1.715 -10.153
68 HD22 LEU 9 HD22 LEU 9 -4.253 -1.367 -8.781
69 HD23 LEU 9 HD23 LEU 9 -3.000 -0.197 -9.240
70 H CYS 10 H CYS 10 1.736 -3.771 -9.560
71 HA CYS 10 HA CYS 10 3.344 -1.567 -10.605
72 HB2 CYS 10 HB2 CYS 10 3.742 -2.968 -8.477
73 HB3 CYS 10 HB3 CYS 10 4.451 -4.173 -9.553
74 H VAL 11 H VAL 11 1.646 -3.716 -12.251
75 HA VAL 11 HA VAL 11 3.805 -4.245 -14.249
76 HB VAL 11 HB VAL 11 1.294 -5.870 -13.679
77 HG11 VAL 11 HG11 VAL 11 3.692 -6.368 -15.500
78 HG12 VAL 11 HG12 VAL 11 2.424 -7.561 -15.129
79 HG13 VAL 11 HG13 VAL 11 2.011 -6.093 -16.025
80 HG21 VAL 11 HG21 VAL 11 2.938 -6.086 -11.848
81 HG22 VAL 11 HG22 VAL 11 2.886 -7.569 -12.820
82 HG23 VAL 11 HG23 VAL 11 4.219 -6.412 -13.045
83 H THR 12 H THR 12 0.760 -2.689 -13.586
84 HA THR 12 HA THR 12 0.338 -2.296 -16.516
85 HB THR 12 HB THR 12 -2.058 -2.038 -15.961
86 HG1 THR 12 HG1 THR 12 -2.714 -2.703 -13.898
87 HG21 THR 12 HG21 THR 12 -1.149 -4.228 -16.713
88 HG22 THR 12 HG22 THR 12 -0.851 -4.677 -15.016
89 HG23 THR 12 HG23 THR 12 -2.514 -4.422 -15.588
90 H SER 13 H SER 13 0.924 -0.752 -13.455
91 HA SER 13 HA SER 13 0.574 1.893 -14.767
92 HB2 SER 13 HB2 SER 13 -0.579 0.917 -12.132
93 HB3 SER 13 HB3 SER 13 -0.330 2.635 -12.508
94 HG SER 13 HG SER 13 -2.441 1.880 -13.070
95 H GLY 14 H GLY 14 2.262 -0.195 -12.546
96 HA2 GLY 14 HA2 GLY 14 4.570 0.079 -12.058
97 HA3 GLY 14 HA3 GLY 14 4.439 1.810 -12.367
98 H LEU 15 H LEU 15 5.758 1.666 -10.274
99 HA LEU 15 HA LEU 15 4.606 0.834 -7.828
100 HB2 LEU 15 HB2 LEU 15 6.993 1.123 -8.142
101 HB3 LEU 15 HB3 LEU 15 6.788 2.837 -8.529
102 HG LEU 15 HG LEU 15 6.010 3.298 -6.243
103 HD11 LEU 15 HD11 LEU 15 6.635 0.355 -5.734
104 HD12 LEU 15 HD12 LEU 15 6.259 1.557 -4.481
105 HD13 LEU 15 HD13 LEU 15 5.018 1.104 -5.657
106 HD21 LEU 15 HD21 LEU 15 8.416 3.452 -6.800
107 HD22 LEU 15 HD22 LEU 15 8.167 2.947 -5.116
108 HD23 LEU 15 HD23 LEU 15 8.626 1.748 -6.352
109 H THR 16 H THR 16 4.178 3.824 -9.674
110 HA THR 16 HA THR 16 3.386 5.501 -7.502
111 HB THR 16 HB THR 16 2.485 5.613 -10.413
112 HG1 THR 16 HG1 THR 16 4.742 5.664 -10.216
113 HG21 THR 16 HG21 THR 16 2.618 7.719 -8.214
114 HG22 THR 16 HG22 THR 16 2.281 8.051 -9.930
115 HG23 THR 16 HG23 THR 16 1.147 7.077 -8.979
116 H ALA 17 H ALA 17 1.550 3.137 -9.489
117 HA ALA 17 HA ALA 17 -0.981 3.956 -8.267
118 HB1 ALA 17 HB1 ALA 17 -0.236 1.577 -10.003
119 HB2 ALA 17 HB2 ALA 17 -1.886 2.045 -9.543
120 HB3 ALA 17 HB3 ALA 17 -0.913 3.132 -10.560
121 H CYS 18 H CYS 18 1.521 1.493 -7.729
122 HA CYS 18 HA CYS 18 0.006 -0.082 -5.853
123 HB2 CYS 18 HB2 CYS 18 1.949 -0.963 -6.986
124 HB3 CYS 18 HB3 CYS 18 2.969 0.341 -6.369
125 H ARG 19 H ARG 19 1.919 2.903 -5.640
126 HA ARG 19 HA ARG 19 1.936 2.919 -2.727
127 HB2 ARG 19 HB2 ARG 19 3.656 3.956 -4.275
128 HB3 ARG 19 HB3 ARG 19 2.464 5.205 -4.664
129 HG2 ARG 19 HG2 ARG 19 2.320 5.824 -2.263
130 HG3 ARG 19 HG3 ARG 19 3.467 4.526 -1.861
131 HD2 ARG 19 HD2 ARG 19 5.176 5.620 -3.302
132 HD3 ARG 19 HD3 ARG 19 4.041 6.927 -3.649
133 HE ARG 19 HE ARG 19 5.376 6.345 -1.057
134 HH11 ARG 19 HH11 ARG 19 3.237 8.443 -2.936
135 HH12 ARG 19 HH12 ARG 19 3.346 9.763 -1.789
136 HH21 ARG 19 HH21 ARG 19 5.490 8.078 0.410
137 HH22 ARG 19 HH22 ARG 19 4.594 9.550 0.100
138 H ASN 20 H ASN 20 -0.033 4.326 -5.331
139 HA ASN 20 HA ASN 20 -1.607 5.981 -3.538
140 HB2 ASN 20 HB2 ASN 20 -2.084 4.996 -6.383
141 HB3 ASN 20 HB3 ASN 20 -3.112 6.163 -5.552
142 HD21 ASN 20 HD21 ASN 20 -2.015 6.945 -7.905
143 HD22 ASN 20 HD22 ASN 20 -0.715 8.088 -7.646
144 H HIS 21 H HIS 21 -1.651 2.584 -4.394
145 HA HIS 21 HA HIS 21 -4.413 2.199 -3.500
146 HB2 HIS 21 HB2 HIS 21 -3.432 0.860 -5.301
147 HB3 HIS 21 HB3 HIS 21 -2.174 0.274 -4.204
148 HD1 HIS 21 HD1 HIS 21 -6.031 0.012 -4.563
149 HD2 HIS 21 HD2 HIS 21 -2.696 -1.882 -2.850
150 HE1 HIS 21 HE1 HIS 21 -6.862 -2.203 -3.586
151 H CYS 22 H CYS 22 -1.100 1.871 -2.220
152 HA CYS 22 HA CYS 22 -1.982 0.584 0.237
153 HB2 CYS 22 HB2 CYS 22 0.610 1.875 -0.646
154 HB3 CYS 22 HB3 CYS 22 0.401 1.131 0.936
155 H ARG 23 H ARG 23 -1.565 3.921 -0.867
156 HA ARG 23 HA ARG 23 -1.764 4.968 1.877
157 HB2 ARG 23 HB2 ARG 23 -1.477 6.277 -0.845
158 HB3 ARG 23 HB3 ARG 23 -1.712 7.189 0.664
159 HG2 ARG 23 HG2 ARG 23 0.291 6.175 1.640
160 HG3 ARG 23 HG3 ARG 23 0.539 5.187 0.189
161 HD2 ARG 23 HD2 ARG 23 2.010 7.165 0.167
162 HD3 ARG 23 HD3 ARG 23 0.848 7.206 -1.168
163 HE ARG 23 HE ARG 23 -0.137 9.089 -0.259
164 HH11 ARG 23 HH11 ARG 23 2.012 7.642 2.159
165 HH12 ARG 23 HH12 ARG 23 1.917 9.017 3.227
166 HH21 ARG 23 HH21 ARG 23 -0.245 10.859 1.159
167 HH22 ARG 23 HH22 ARG 23 0.637 10.827 2.670
168 H SER 24 H SER 24 -3.937 3.510 0.040
169 HA SER 24 HA SER 24 -6.172 5.156 1.110
170 HB2 SER 24 HB2 SER 24 -5.994 3.795 -1.614
171 HB3 SER 24 HB3 SER 24 -7.477 4.490 -0.922
172 HG SER 24 HG SER 24 -6.347 5.933 -2.314
173 H CYS 25 H CYS 25 -8.220 3.713 1.261
174 HA CYS 25 HA CYS 25 -7.393 1.421 2.812
175 HB2 CYS 25 HB2 CYS 25 -10.188 2.266 2.007
176 HB3 CYS 25 HB3 CYS 25 -9.739 1.147 3.299
177 H HIS 26 H HIS 26 -7.360 -0.685 2.326
178 HA HIS 26 HA HIS 26 -8.548 -1.693 -0.185
179 HB2 HIS 26 HB2 HIS 26 -6.330 -2.755 -0.733
180 HB3 HIS 26 HB3 HIS 26 -6.353 -0.993 -0.888
181 HD1 HIS 26 HD1 HIS 26 -4.549 0.297 0.452
182 HD2 HIS 26 HD2 HIS 26 -5.186 -3.667 1.730
183 HE1 HIS 26 HE1 HIS 26 -2.783 -0.183 2.261
184 HE2 HIS 26 HE2 HIS 26 -3.186 -2.605 3.023
185 H ARG 27 H ARG 27 -8.135 -4.158 -0.266
186 HA ARG 27 HA ARG 27 -9.211 -5.201 2.202
187 HB2 ARG 27 HB2 ARG 27 -9.751 -5.882 -0.216
188 HB3 ARG 27 HB3 ARG 27 -8.220 -6.758 -0.208
189 HG2 ARG 27 HG2 ARG 27 -10.078 -8.265 0.320
190 HG3 ARG 27 HG3 ARG 27 -9.006 -8.123 1.719
191 HD2 ARG 27 HD2 ARG 27 -11.408 -8.029 2.330
192 HD3 ARG 27 HD3 ARG 27 -10.548 -6.555 2.799
193 HE ARG 27 HE ARG 27 -11.453 -5.631 0.551
194 HH11 ARG 27 HH11 ARG 27 -13.216 -7.943 2.568
195 HH12 ARG 27 HH12 ARG 27 -14.778 -7.385 2.008
196 HH21 ARG 27 HH21 ARG 27 -13.461 -4.930 -0.119
197 HH22 ARG 27 HH22 ARG 27 -14.924 -5.691 0.476
198 H GLY 28 H GLY 28 -8.302 -6.489 3.737
199 HA2 GLY 28 HA2 GLY 28 -5.363 -7.005 3.560
200 HA3 GLY 28 HA3 GLY 28 -6.223 -6.616 5.053
201 H ASP 29 H ASP 29 -5.111 -8.708 5.706
202 HA ASP 29 HA ASP 29 -6.193 -11.168 4.534
203 HB2 ASP 29 HB2 ASP 29 -3.799 -10.846 5.162
204 HB3 ASP 29 HB3 ASP 29 -4.294 -10.736 6.858
205 H VAL 30 H VAL 30 -7.003 -9.060 7.150
206 HA VAL 30 HA VAL 30 -8.831 -11.147 8.268
207 HB VAL 30 HB VAL 30 -7.206 -9.089 9.818
208 HG11 VAL 30 HG11 VAL 30 -9.359 -9.477 10.919
209 HG12 VAL 30 HG12 VAL 30 -9.156 -11.242 10.749
210 HG13 VAL 30 HG13 VAL 30 -8.080 -10.308 11.814
211 HG21 VAL 30 HG21 VAL 30 -5.815 -10.973 9.046
212 HG22 VAL 30 HG22 VAL 30 -6.087 -11.071 10.793
213 HG23 VAL 30 HG23 VAL 30 -7.007 -12.126 9.692
214 H GLY 31 H GLY 31 -8.379 -7.959 7.012
215 HA2 GLY 31 HA2 GLY 31 -11.120 -7.337 6.835
216 HA3 GLY 31 HA3 GLY 31 -10.476 -6.537 8.285
217 H CYS 32 H CYS 32 -11.267 -4.710 6.550
218 HA CYS 32 HA CYS 32 -9.208 -4.163 4.551
219 HB2 CYS 32 HB2 CYS 32 -11.651 -2.598 5.434
220 HB3 CYS 32 HB3 CYS 32 -10.534 -2.096 4.155
221 H VAL 33 H VAL 33 -7.703 -2.576 4.526
222 HA VAL 33 HA VAL 33 -7.206 -1.003 6.986
223 HB VAL 33 HB VAL 33 -4.889 -1.816 7.111
224 HG11 VAL 33 HG11 VAL 33 -5.305 -4.017 8.076
225 HG12 VAL 33 HG12 VAL 33 -6.643 -2.924 8.497
226 HG13 VAL 33 HG13 VAL 33 -6.850 -4.142 7.214
227 HG21 VAL 33 HG21 VAL 33 -4.586 -2.489 4.773
228 HG22 VAL 33 HG22 VAL 33 -4.179 -3.818 5.880
229 HG23 VAL 33 HG23 VAL 33 -5.723 -3.841 5.002
230 H ARG 34 H ARG 34 -5.289 0.442 6.682
231 HA ARG 34 HA ARG 34 -4.669 1.120 3.868
232 HB2 ARG 34 HB2 ARG 34 -4.996 3.510 4.339
233 HB3 ARG 34 HB3 ARG 34 -6.510 2.607 4.505
234 HG2 ARG 34 HG2 ARG 34 -6.199 2.541 6.972
235 HG3 ARG 34 HG3 ARG 34 -4.710 3.501 6.796
236 HD2 ARG 34 HD2 ARG 34 -6.001 5.331 5.776
237 HD3 ARG 34 HD3 ARG 34 -7.483 4.371 5.901
238 HE ARG 34 HE ARG 34 -6.348 4.512 8.488
239 HH11 ARG 34 HH11 ARG 34 -7.838 6.656 6.105
240 HH12 ARG 34 HH12 ARG 34 -8.448 7.762 7.313
241 HH21 ARG 34 HH21 ARG 34 -7.141 5.978 10.043
242 HH22 ARG 34 HH22 ARG 34 -8.045 7.387 9.537
243 H CYS 35 H CYS 35 -2.587 2.215 3.682
244 HA CYS 35 HA CYS 35 -0.874 1.904 6.103
245 HB2 CYS 35 HB2 CYS 35 -0.185 1.152 3.258
246 HB3 CYS 35 HB3 CYS 35 0.829 0.928 4.681
247 H SER 36 H SER 36 1.522 2.756 5.127
248 HA SER 36 HA SER 36 0.933 5.625 4.617
249 HB2 SER 36 HB2 SER 36 3.184 4.160 6.029
250 HB3 SER 36 HB3 SER 36 3.192 5.897 5.700
251 HG SER 36 HG SER 36 2.339 5.426 7.767
252 H ASN 37 H ASN 37 2.848 2.865 3.374
253 HA ASN 37 HA ASN 37 3.577 4.471 1.036
254 HB2 ASN 37 HB2 ASN 37 5.292 4.933 2.880
255 HB3 ASN 37 HB3 ASN 37 5.783 3.249 2.744
256 HD21 ASN 37 HD21 ASN 37 7.897 4.363 2.238
257 HD22 ASN 37 HD22 ASN 37 8.196 4.798 0.567
258 H ALA 38 H ALA 38 5.231 2.865 -0.331
259 HA ALA 38 HA ALA 38 4.380 0.064 -0.052
260 HB1 ALA 38 HB1 ALA 38 3.348 -0.014 -2.258
261 HB2 ALA 38 HB2 ALA 38 2.535 1.228 -1.270
262 HB3 ALA 38 HB3 ALA 38 3.710 1.705 -2.522
263 H GLN 39 H GLN 39 5.314 -1.306 -1.743
264 HA GLN 39 HA GLN 39 7.442 -0.271 -3.442
265 HB2 GLN 39 HB2 GLN 39 9.142 -1.809 -2.585
266 HB3 GLN 39 HB3 GLN 39 8.663 -0.657 -1.328
267 HG2 GLN 39 HG2 GLN 39 7.270 -2.319 -0.244
268 HG3 GLN 39 HG3 GLN 39 7.531 -3.477 -1.561
269 HE21 GLN 39 HE21 GLN 39 9.492 -1.470 0.742
270 HE22 GLN 39 HE22 GLN 39 10.677 -2.725 1.043
271 H CYS 40 H CYS 40 8.291 -2.157 -4.841
272 HA CYS 40 HA CYS 40 6.037 -4.054 -5.252
273 HB2 CYS 40 HB2 CYS 40 8.175 -3.257 -7.244
274 HB3 CYS 40 HB3 CYS 40 6.767 -4.291 -7.525
275 H THR 41 H THR 41 6.407 -6.244 -5.557
276 HA THR 41 HA THR 41 9.052 -7.266 -4.636
277 HB THR 41 HB THR 41 7.817 -8.864 -3.190
278 HG1 THR 41 HG1 THR 41 5.614 -8.377 -2.796
279 HG21 THR 41 HG21 THR 41 7.135 -5.958 -2.577
280 HG22 THR 41 HG22 THR 41 7.248 -7.296 -1.409
281 HG23 THR 41 HG23 THR 41 8.704 -6.734 -2.254
282 H GLY 42 H GLY 42 8.855 -9.834 -4.707
283 HA2 GLY 42 HA2 GLY 42 8.152 -11.736 -5.971
284 HA3 GLY 42 HA3 GLY 42 7.576 -10.670 -7.263
285 H PHE 43 H PHE 43 9.041 -12.617 -8.206
286 HA PHE 43 HA PHE 43 11.885 -12.301 -8.059
287 HB2 PHE 43 HB2 PHE 43 10.793 -14.410 -8.584
288 HB3 PHE 43 HB3 PHE 43 10.048 -13.709 -10.022
289 HD1 PHE 43 HD2 PHE 43 13.521 -14.018 -8.581
290 HD2 PHE 43 HD1 PHE 43 10.985 -14.315 -12.041
291 HE1 PHE 43 HE2 PHE 43 15.472 -14.695 -9.960
292 HE2 PHE 43 HE1 PHE 43 12.930 -14.994 -13.413
293 HZ PHE 43 HZ PHE 43 15.179 -15.175 -12.375
294 H LEU 44 H LEU 44 9.457 -10.575 -9.839
295 HA LEU 44 HA LEU 44 11.583 -9.246 -11.432
296 HB2 LEU 44 HB2 LEU 44 8.916 -10.301 -12.454
297 HB3 LEU 44 HB3 LEU 44 9.962 -9.206 -13.371
298 HG LEU 44 HG LEU 44 10.810 -11.966 -12.390
299 HD11 LEU 44 HD11 LEU 44 9.014 -12.095 -14.080
300 HD12 LEU 44 HD12 LEU 44 9.945 -11.025 -15.150
301 HD13 LEU 44 HD13 LEU 44 10.568 -12.644 -14.740
302 HD21 LEU 44 HD21 LEU 44 12.079 -10.026 -14.374
303 HD22 LEU 44 HD22 LEU 44 12.709 -10.396 -12.747
304 HD23 LEU 44 HD23 LEU 44 12.674 -11.655 -13.985
305 H GLY 45 H GLY 45 9.666 -8.701 -8.965
306 HA2 GLY 45 HA2 GLY 45 8.832 -6.759 -8.074
307 HA3 GLY 45 HA3 GLY 45 9.385 -5.888 -9.518
308 H THR 46 H THR 46 7.307 -8.652 -10.023
309 HA THR 46 HA THR 46 5.336 -6.895 -11.240
310 HB THR 46 HB THR 46 4.355 -9.096 -12.007
311 HG1 THR 46 HG1 THR 46 5.654 -10.918 -11.606
312 HG21 THR 46 HG21 THR 46 7.331 -8.666 -12.514
313 HG22 THR 46 HG22 THR 46 6.229 -9.618 -13.536
314 HG23 THR 46 HG23 THR 46 6.002 -7.864 -13.380
315 H THR 47 H THR 47 5.647 -7.531 -8.113
316 HA THR 47 HA THR 47 2.693 -7.770 -7.725
317 HB THR 47 HB THR 47 4.885 -8.913 -5.952
318 HG1 THR 47 HG1 THR 47 4.535 -10.079 -7.870
319 HG21 THR 47 HG21 THR 47 1.844 -9.024 -5.772
320 HG22 THR 47 HG22 THR 47 2.957 -10.015 -4.801
321 HG23 THR 47 HG23 THR 47 2.959 -8.253 -4.614
322 H CYS 48 H CYS 48 1.801 -6.516 -6.033
323 HA CYS 48 HA CYS 48 3.476 -4.195 -5.221
324 HB2 CYS 48 HB2 CYS 48 1.481 -3.654 -6.487
325 HB3 CYS 48 HB3 CYS 48 0.490 -4.652 -5.412
326 H THR 49 H THR 49 3.775 -3.667 -3.085
327 HA THR 49 HA THR 49 2.324 -5.190 -1.002
328 HB THR 49 HB THR 49 5.357 -5.012 -1.211
329 HG1 THR 49 HG1 THR 49 4.468 -6.622 -2.502
330 HG21 THR 49 HG21 THR 49 5.300 -6.483 0.808
331 HG22 THR 49 HG22 THR 49 4.678 -4.856 1.134
332 HG23 THR 49 HG23 THR 49 3.547 -6.213 0.931
333 H CYS 50 H CYS 50 2.184 -4.068 0.998
334 HA CYS 50 HA CYS 50 2.765 -1.174 0.715
335 HB2 CYS 50 HB2 CYS 50 0.884 -2.612 2.612
336 HB3 CYS 50 HB3 CYS 50 1.058 -0.869 2.413
337 H ILE 51 H ILE 51 3.255 0.014 2.736
338 HA ILE 51 HA ILE 51 5.315 -1.451 4.323
339 HB ILE 51 HB ILE 51 5.065 1.466 3.535
340 HG12 ILE 51 HG12 ILE 51 5.700 0.046 1.632
341 HG13 ILE 51 HG13 ILE 51 7.013 1.114 2.126
342 HG21 ILE 51 HG21 ILE 51 6.151 1.359 5.674
343 HG22 ILE 51 HG22 ILE 51 7.209 0.029 5.139
344 HG23 ILE 51 HG23 ILE 51 7.386 1.663 4.448
345 HD11 ILE 51 HD11 ILE 51 8.112 -0.759 3.313
346 HD12 ILE 51 HD12 ILE 51 6.779 -1.847 2.837
347 HD13 ILE 51 HD13 ILE 51 7.838 -1.135 1.600
348 H ASN 52 H ASN 52 5.366 -1.176 6.557
349 HA ASN 52 HA ASN 52 2.838 -0.598 7.799
350 HB2 ASN 52 HB2 ASN 52 5.604 -1.193 8.915
351 HB3 ASN 52 HB3 ASN 52 4.152 -1.085 9.902
352 HD21 ASN 52 HD21 ASN 52 5.502 -3.392 10.073
353 HD22 ASN 52 HD22 ASN 52 4.654 -4.673 9.225
354 HA PRO 53 HA PRO 53 2.362 -0.052 10.132
355 HB2 PRO 53 HB2 PRO 53 0.572 1.737 11.123
356 HB3 PRO 53 HB3 PRO 53 2.228 1.585 11.795
357 HG2 PRO 53 HG2 PRO 53 1.235 3.576 9.725
358 HG3 PRO 53 HG3 PRO 53 2.152 3.918 11.234
359 HD2 PRO 53 HD2 PRO 53 3.411 3.679 8.823
360 HD3 PRO 53 HD3 PRO 53 4.144 3.051 10.330
361 H CYS 54 H CYS 54 0.033 -0.589 9.956
362 HA CYS 54 HA CYS 54 -1.335 0.490 7.561
363 HB2 CYS 54 HB2 CYS 54 -0.698 -2.405 8.158
364 HB3 CYS 54 HB3 CYS 54 -1.974 -1.928 7.046
365 HA PRO 55 HA PRO 55 -3.980 0.061 11.405
366 HB2 PRO 55 HB2 PRO 55 -5.191 2.526 11.193
367 HB3 PRO 55 HB3 PRO 55 -3.617 2.268 12.016
368 HG2 PRO 55 HG2 PRO 55 -4.084 3.146 9.153
369 HG3 PRO 55 HG3 PRO 55 -3.023 3.912 10.381
370 HD2 PRO 55 HD2 PRO 55 -1.977 2.219 8.584
371 HD3 PRO 55 HD3 PRO 55 -1.474 2.091 10.294
372 H ARG 56 H ARG 56 -6.385 0.117 11.516
373 HA ARG 56 HA ARG 56 -7.465 -1.084 9.102
374 HB2 ARG 56 HB2 ARG 56 -8.731 -0.466 11.794
375 HB3 ARG 56 HB3 ARG 56 -9.478 -1.417 10.498
376 HG2 ARG 56 HG2 ARG 56 -7.593 -3.029 10.594
377 HG3 ARG 56 HG3 ARG 56 -6.880 -2.108 11.940
378 HD2 ARG 56 HD2 ARG 56 -9.635 -3.406 11.941
379 HD3 ARG 56 HD3 ARG 56 -8.196 -4.076 12.716
380 HE ARG 56 HE ARG 56 -9.844 -1.833 13.657
381 HH11 ARG 56 HH11 ARG 56 -6.759 -3.534 13.954
382 HH12 ARG 56 HH12 ARG 56 -6.432 -2.895 15.550
383 HH21 ARG 56 HH21 ARG 56 -9.403 -1.045 15.745
384 HH22 ARG 56 HH22 ARG 56 -7.922 -1.494 16.559
385 H CYS 57 H CYS 57 -9.561 -0.526 8.205
386 HA CYS 57 HA CYS 57 -10.365 2.305 8.373
387 HB2 CYS 57 HB2 CYS 57 -8.652 2.281 6.638
388 HB3 CYS 57 HB3 CYS 57 -9.426 0.905 5.844
Start of MODEL 19
1 HA PCA 1 HA PCA 1 -15.623 5.605 1.436
2 HB2 PCA 1 HB2 PCA 1 -14.642 4.076 3.485
3 HB3 PCA 1 HB3 PCA 1 -15.037 5.812 3.697
4 HG2 PCA 1 HG2 PCA 1 -16.454 4.940 5.365
5 HG3 PCA 1 HG3 PCA 1 -16.712 3.408 4.455
6 H ASN 2 H ASN 2 -14.182 3.704 0.911
7 HA ASN 2 HA ASN 2 -15.491 1.096 0.662
8 HB2 ASN 2 HB2 ASN 2 -15.135 0.983 -1.764
9 HB3 ASN 2 HB3 ASN 2 -16.239 2.303 -1.359
10 HD21 ASN 2 HD21 ASN 2 -15.349 4.525 -1.295
11 HD22 ASN 2 HD22 ASN 2 -14.014 4.924 -2.362
12 H CYS 3 H CYS 3 -13.993 -0.583 0.025
13 HA CYS 3 HA CYS 3 -11.124 0.098 0.003
14 HB2 CYS 3 HB2 CYS 3 -10.699 -1.522 1.855
15 HB3 CYS 3 HB3 CYS 3 -11.466 -0.013 2.333
16 HA PRO 4 HA PRO 4 -12.373 -3.421 -2.726
17 HB2 PRO 4 HB2 PRO 4 -11.215 -2.552 -5.023
18 HB3 PRO 4 HB3 PRO 4 -12.772 -1.879 -4.429
19 HG2 PRO 4 HG2 PRO 4 -9.991 -0.733 -4.018
20 HG3 PRO 4 HG3 PRO 4 -11.453 0.109 -4.647
21 HD2 PRO 4 HD2 PRO 4 -10.727 0.255 -2.028
22 HD3 PRO 4 HD3 PRO 4 -12.448 0.156 -2.505
23 H THR 5 H THR 5 -10.870 -4.814 -4.163
24 HA THR 5 HA THR 5 -8.186 -5.006 -2.882
25 HB THR 5 HB THR 5 -9.754 -7.192 -4.294
26 HG1 THR 5 HG1 THR 5 -10.252 -7.883 -2.216
27 HG21 THR 5 HG21 THR 5 -7.308 -7.558 -4.168
28 HG22 THR 5 HG22 THR 5 -7.346 -7.227 -2.423
29 HG23 THR 5 HG23 THR 5 -8.161 -8.669 -3.082
30 H ARG 6 H ARG 6 -6.384 -4.869 -4.199
31 HA ARG 6 HA ARG 6 -6.682 -5.294 -7.111
32 HB2 ARG 6 HB2 ARG 6 -5.417 -2.798 -5.914
33 HB3 ARG 6 HB3 ARG 6 -5.447 -3.244 -7.627
34 HG2 ARG 6 HG2 ARG 6 -7.958 -3.160 -7.559
35 HG3 ARG 6 HG3 ARG 6 -7.856 -2.562 -5.888
36 HD2 ARG 6 HD2 ARG 6 -6.499 -0.641 -6.668
37 HD3 ARG 6 HD3 ARG 6 -6.645 -1.226 -8.338
38 HE ARG 6 HE ARG 6 -9.261 -1.004 -7.301
39 HH11 ARG 6 HH11 ARG 6 -6.541 1.109 -8.108
40 HH12 ARG 6 HH12 ARG 6 -7.562 2.489 -8.436
41 HH21 ARG 6 HH21 ARG 6 -10.570 0.808 -7.758
42 HH22 ARG 6 HH22 ARG 6 -9.838 2.318 -8.238
43 H ARG 7 H ARG 7 -4.854 -6.080 -8.074
44 HA ARG 7 HA ARG 7 -2.349 -6.330 -6.505
45 HB2 ARG 7 HB2 ARG 7 -3.834 -8.647 -7.808
46 HB3 ARG 7 HB3 ARG 7 -2.229 -8.743 -7.071
47 HG2 ARG 7 HG2 ARG 7 -4.809 -8.061 -5.599
48 HG3 ARG 7 HG3 ARG 7 -4.022 -9.641 -5.610
49 HD2 ARG 7 HD2 ARG 7 -2.735 -7.082 -4.569
50 HD3 ARG 7 HD3 ARG 7 -3.530 -8.301 -3.564
51 HE ARG 7 HE ARG 7 -1.741 -9.861 -4.803
52 HH11 ARG 7 HH11 ARG 7 -1.345 -6.649 -3.381
53 HH12 ARG 7 HH12 ARG 7 0.343 -6.901 -3.002
54 HH21 ARG 7 HH21 ARG 7 0.450 -10.180 -4.242
55 HH22 ARG 7 HH22 ARG 7 1.343 -8.898 -3.457
56 H GLY 8 H GLY 8 -0.535 -7.086 -7.928
57 HA2 GLY 8 HA2 GLY 8 0.659 -7.113 -9.892
58 HA3 GLY 8 HA3 GLY 8 -0.870 -7.213 -10.784
59 H LEU 9 H LEU 9 -0.523 -4.524 -8.573
60 HA LEU 9 HA LEU 9 -0.991 -2.603 -10.602
61 HB2 LEU 9 HB2 LEU 9 0.129 -2.364 -7.786
62 HB3 LEU 9 HB3 LEU 9 -0.389 -0.979 -8.769
63 HG LEU 9 HG LEU 9 -2.215 -3.312 -8.038
64 HD11 LEU 9 HD11 LEU 9 -1.976 -0.550 -6.779
65 HD12 LEU 9 HD12 LEU 9 -3.198 -1.782 -6.386
66 HD13 LEU 9 HD13 LEU 9 -1.483 -2.087 -6.022
67 HD21 LEU 9 HD21 LEU 9 -3.999 -1.704 -8.687
68 HD22 LEU 9 HD22 LEU 9 -2.762 -0.516 -9.143
69 HD23 LEU 9 HD23 LEU 9 -2.909 -2.044 -10.050
70 H CYS 10 H CYS 10 2.024 -3.996 -9.402
71 HA CYS 10 HA CYS 10 3.685 -1.889 -10.513
72 HB2 CYS 10 HB2 CYS 10 4.284 -4.633 -9.371
73 HB3 CYS 10 HB3 CYS 10 5.522 -3.491 -9.901
74 H VAL 11 H VAL 11 1.828 -4.051 -12.123
75 HA VAL 11 HA VAL 11 3.894 -4.507 -14.235
76 HB VAL 11 HB VAL 11 1.492 -6.246 -13.534
77 HG11 VAL 11 HG11 VAL 11 2.051 -6.444 -15.917
78 HG12 VAL 11 HG12 VAL 11 3.778 -6.616 -15.515
79 HG13 VAL 11 HG13 VAL 11 2.616 -7.880 -15.055
80 HG21 VAL 11 HG21 VAL 11 3.215 -7.872 -12.803
81 HG22 VAL 11 HG22 VAL 11 4.477 -6.649 -13.086
82 HG23 VAL 11 HG23 VAL 11 3.247 -6.397 -11.815
83 H THR 12 H THR 12 0.913 -2.959 -13.443
84 HA THR 12 HA THR 12 0.299 -2.675 -16.354
85 HB THR 12 HB THR 12 -1.309 -4.085 -15.085
86 HG1 THR 12 HG1 THR 12 -3.102 -2.967 -15.894
87 HG21 THR 12 HG21 THR 12 -1.966 -1.510 -13.599
88 HG22 THR 12 HG22 THR 12 -2.855 -3.044 -13.506
89 HG23 THR 12 HG23 THR 12 -1.187 -2.957 -12.901
90 H SER 13 H SER 13 0.965 -1.043 -13.350
91 HA SER 13 HA SER 13 0.602 1.561 -14.742
92 HB2 SER 13 HB2 SER 13 -0.479 0.686 -12.045
93 HB3 SER 13 HB3 SER 13 -0.273 2.387 -12.498
94 HG SER 13 HG SER 13 -1.668 1.983 -14.277
95 H GLY 14 H GLY 14 2.332 -0.464 -12.484
96 HA2 GLY 14 HA2 GLY 14 4.626 -0.172 -11.984
97 HA3 GLY 14 HA3 GLY 14 4.488 1.553 -12.359
98 H LEU 15 H LEU 15 5.805 1.482 -10.251
99 HA LEU 15 HA LEU 15 4.666 0.740 -7.778
100 HB2 LEU 15 HB2 LEU 15 7.050 1.135 -8.122
101 HB3 LEU 15 HB3 LEU 15 6.743 2.827 -8.551
102 HG LEU 15 HG LEU 15 5.953 3.309 -6.289
103 HD11 LEU 15 HD11 LEU 15 6.668 0.396 -5.706
104 HD12 LEU 15 HD12 LEU 15 6.240 1.624 -4.486
105 HD13 LEU 15 HD13 LEU 15 5.032 1.085 -5.665
106 HD21 LEU 15 HD21 LEU 15 8.353 3.528 -6.812
107 HD22 LEU 15 HD22 LEU 15 8.123 3.032 -5.124
108 HD23 LEU 15 HD23 LEU 15 8.625 1.837 -6.343
109 H THR 16 H THR 16 4.175 3.652 -9.736
110 HA THR 16 HA THR 16 3.304 5.404 -7.682
111 HB THR 16 HB THR 16 2.301 5.283 -10.551
112 HG1 THR 16 HG1 THR 16 4.600 6.532 -9.451
113 HG21 THR 16 HG21 THR 16 1.091 6.884 -9.113
114 HG22 THR 16 HG22 THR 16 2.640 7.583 -8.581
115 HG23 THR 16 HG23 THR 16 2.120 7.731 -10.278
116 H ALA 17 H ALA 17 1.528 2.847 -9.480
117 HA ALA 17 HA ALA 17 -1.007 3.674 -8.263
118 HB1 ALA 17 HB1 ALA 17 -0.253 1.249 -9.936
119 HB2 ALA 17 HB2 ALA 17 -1.908 1.723 -9.478
120 HB3 ALA 17 HB3 ALA 17 -0.953 2.779 -10.540
121 H CYS 18 H CYS 18 1.559 1.292 -7.688
122 HA CYS 18 HA CYS 18 0.089 -0.283 -5.778
123 HB2 CYS 18 HB2 CYS 18 2.099 -1.095 -6.920
124 HB3 CYS 18 HB3 CYS 18 3.050 0.219 -6.220
125 H ARG 19 H ARG 19 1.926 2.757 -5.642
126 HA ARG 19 HA ARG 19 1.916 2.863 -2.725
127 HB2 ARG 19 HB2 ARG 19 3.661 3.849 -4.273
128 HB3 ARG 19 HB3 ARG 19 2.474 5.077 -4.743
129 HG2 ARG 19 HG2 ARG 19 2.274 5.804 -2.389
130 HG3 ARG 19 HG3 ARG 19 3.423 4.540 -1.895
131 HD2 ARG 19 HD2 ARG 19 5.154 5.561 -3.335
132 HD3 ARG 19 HD3 ARG 19 4.024 6.836 -3.807
133 HE ARG 19 HE ARG 19 5.278 6.426 -1.135
134 HH11 ARG 19 HH11 ARG 19 3.228 8.403 -3.233
135 HH12 ARG 19 HH12 ARG 19 3.271 9.787 -2.164
136 HH21 ARG 19 HH21 ARG 19 5.330 8.250 0.226
137 HH22 ARG 19 HH22 ARG 19 4.464 9.699 -0.218
138 H ASN 20 H ASN 20 -0.010 4.223 -5.396
139 HA ASN 20 HA ASN 20 -1.591 5.913 -3.669
140 HB2 ASN 20 HB2 ASN 20 -2.025 4.867 -6.497
141 HB3 ASN 20 HB3 ASN 20 -3.090 6.027 -5.704
142 HD21 ASN 20 HD21 ASN 20 -1.969 6.777 -8.053
143 HD22 ASN 20 HD22 ASN 20 -0.711 7.967 -7.793
144 H HIS 21 H HIS 21 -1.648 2.494 -4.391
145 HA HIS 21 HA HIS 21 -4.449 2.207 -3.540
146 HB2 HIS 21 HB2 HIS 21 -3.480 0.806 -5.319
147 HB3 HIS 21 HB3 HIS 21 -2.297 0.158 -4.173
148 HD1 HIS 21 HD1 HIS 21 -6.174 0.196 -4.559
149 HD2 HIS 21 HD2 HIS 21 -2.994 -1.968 -2.868
150 HE1 HIS 21 HE1 HIS 21 -7.172 -1.954 -3.620
151 H CYS 22 H CYS 22 -1.151 1.711 -2.244
152 HA CYS 22 HA CYS 22 -2.080 0.503 0.215
153 HB2 CYS 22 HB2 CYS 22 0.530 1.781 -0.628
154 HB3 CYS 22 HB3 CYS 22 0.291 1.015 0.944
155 H ARG 23 H ARG 23 -1.534 3.833 -0.891
156 HA ARG 23 HA ARG 23 -1.704 4.915 1.831
157 HB2 ARG 23 HB2 ARG 23 -1.460 6.180 -0.917
158 HB3 ARG 23 HB3 ARG 23 -1.671 7.123 0.575
159 HG2 ARG 23 HG2 ARG 23 0.327 6.098 1.557
160 HG3 ARG 23 HG3 ARG 23 0.573 5.115 0.104
161 HD2 ARG 23 HD2 ARG 23 2.041 7.103 0.084
162 HD3 ARG 23 HD3 ARG 23 0.887 7.140 -1.252
163 HE ARG 23 HE ARG 23 -0.103 9.029 -0.358
164 HH11 ARG 23 HH11 ARG 23 1.963 7.578 2.137
165 HH12 ARG 23 HH12 ARG 23 1.836 8.973 3.185
166 HH21 ARG 23 HH21 ARG 23 -0.246 10.798 1.045
167 HH22 ARG 23 HH22 ARG 23 0.576 10.769 2.584
168 H SER 24 H SER 24 -3.964 3.570 -0.077
169 HA SER 24 HA SER 24 -6.118 5.283 1.079
170 HB2 SER 24 HB2 SER 24 -6.056 3.867 -1.614
171 HB3 SER 24 HB3 SER 24 -7.489 4.637 -0.892
172 HG SER 24 HG SER 24 -6.366 6.028 -2.332
173 H CYS 25 H CYS 25 -8.174 3.947 1.440
174 HA CYS 25 HA CYS 25 -7.364 1.597 2.881
175 HB2 CYS 25 HB2 CYS 25 -10.167 2.561 2.225
176 HB3 CYS 25 HB3 CYS 25 -9.704 1.391 3.467
177 H HIS 26 H HIS 26 -7.410 -0.509 2.347
178 HA HIS 26 HA HIS 26 -8.818 -1.407 -0.098
179 HB2 HIS 26 HB2 HIS 26 -6.694 -2.559 -0.804
180 HB3 HIS 26 HB3 HIS 26 -6.616 -0.790 -0.906
181 HD1 HIS 26 HD1 HIS 26 -4.842 0.421 0.606
182 HD2 HIS 26 HD2 HIS 26 -5.311 -3.711 1.308
183 HE1 HIS 26 HE1 HIS 26 -2.964 -0.267 2.224
184 HE2 HIS 26 HE2 HIS 26 -3.279 -2.777 2.657
185 H ARG 27 H ARG 27 -8.685 -3.877 -0.208
186 HA ARG 27 HA ARG 27 -9.456 -4.857 2.406
187 HB2 ARG 27 HB2 ARG 27 -10.266 -5.388 -0.097
188 HB3 ARG 27 HB3 ARG 27 -9.095 -6.694 0.074
189 HG2 ARG 27 HG2 ARG 27 -11.462 -6.111 1.924
190 HG3 ARG 27 HG3 ARG 27 -11.367 -7.402 0.710
191 HD2 ARG 27 HD2 ARG 27 -9.460 -8.395 1.940
192 HD3 ARG 27 HD3 ARG 27 -9.633 -7.138 3.192
193 HE ARG 27 HE ARG 27 -12.133 -8.190 3.109
194 HH11 ARG 27 HH11 ARG 27 -8.945 -9.681 3.370
195 HH12 ARG 27 HH12 ARG 27 -9.530 -11.067 4.267
196 HH21 ARG 27 HH21 ARG 27 -12.874 -9.988 4.298
197 HH22 ARG 27 HH22 ARG 27 -11.754 -11.227 4.808
198 H GLY 28 H GLY 28 -8.183 -5.799 3.885
199 HA2 GLY 28 HA2 GLY 28 -5.408 -6.544 3.236
200 HA3 GLY 28 HA3 GLY 28 -6.157 -6.419 4.840
201 H ASP 29 H ASP 29 -5.141 -8.497 5.310
202 HA ASP 29 HA ASP 29 -6.017 -10.834 3.786
203 HB2 ASP 29 HB2 ASP 29 -3.722 -10.546 4.687
204 HB3 ASP 29 HB3 ASP 29 -4.376 -10.584 6.330
205 H VAL 30 H VAL 30 -7.098 -9.089 6.606
206 HA VAL 30 HA VAL 30 -9.035 -11.278 7.178
207 HB VAL 30 HB VAL 30 -7.122 -11.337 8.765
208 HG11 VAL 30 HG11 VAL 30 -6.867 -9.563 10.438
209 HG12 VAL 30 HG12 VAL 30 -6.564 -8.929 8.807
210 HG13 VAL 30 HG13 VAL 30 -8.107 -8.585 9.625
211 HG21 VAL 30 HG21 VAL 30 -9.385 -12.083 9.449
212 HG22 VAL 30 HG22 VAL 30 -8.435 -11.434 10.806
213 HG23 VAL 30 HG23 VAL 30 -9.712 -10.446 10.079
214 H GLY 31 H GLY 31 -8.456 -7.961 6.540
215 HA2 GLY 31 HA2 GLY 31 -11.192 -7.260 6.467
216 HA3 GLY 31 HA3 GLY 31 -10.503 -6.669 7.995
217 H CYS 32 H CYS 32 -11.327 -4.652 6.404
218 HA CYS 32 HA CYS 32 -9.320 -3.939 4.452
219 HB2 CYS 32 HB2 CYS 32 -11.650 -2.416 5.645
220 HB3 CYS 32 HB3 CYS 32 -10.544 -1.751 4.442
221 H VAL 33 H VAL 33 -7.737 -2.454 4.491
222 HA VAL 33 HA VAL 33 -7.044 -1.104 7.034
223 HB VAL 33 HB VAL 33 -4.706 -1.910 6.830
224 HG11 VAL 33 HG11 VAL 33 -6.745 -4.153 7.138
225 HG12 VAL 33 HG12 VAL 33 -5.075 -4.152 7.739
226 HG13 VAL 33 HG13 VAL 33 -6.248 -3.000 8.405
227 HG21 VAL 33 HG21 VAL 33 -4.204 -3.887 5.466
228 HG22 VAL 33 HG22 VAL 33 -5.847 -3.858 4.787
229 HG23 VAL 33 HG23 VAL 33 -4.722 -2.521 4.447
230 H ARG 34 H ARG 34 -5.184 0.366 6.731
231 HA ARG 34 HA ARG 34 -4.716 1.316 3.964
232 HB2 ARG 34 HB2 ARG 34 -5.006 3.671 4.789
233 HB3 ARG 34 HB3 ARG 34 -6.509 2.733 4.744
234 HG2 ARG 34 HG2 ARG 34 -6.313 2.280 7.177
235 HG3 ARG 34 HG3 ARG 34 -4.816 3.233 7.233
236 HD2 ARG 34 HD2 ARG 34 -5.996 5.248 6.644
237 HD3 ARG 34 HD3 ARG 34 -7.481 4.342 6.279
238 HE ARG 34 HE ARG 34 -7.107 3.653 8.854
239 HH11 ARG 34 HH11 ARG 34 -6.993 6.822 7.283
240 HH12 ARG 34 HH12 ARG 34 -7.543 7.668 8.715
241 HH21 ARG 34 HH21 ARG 34 -7.802 4.785 10.692
242 HH22 ARG 34 HH22 ARG 34 -7.975 6.522 10.640
243 H CYS 35 H CYS 35 -2.607 2.235 3.731
244 HA CYS 35 HA CYS 35 -0.847 1.836 6.111
245 HB2 CYS 35 HB2 CYS 35 -0.235 1.171 3.227
246 HB3 CYS 35 HB3 CYS 35 0.817 0.894 4.608
247 H SER 36 H SER 36 1.525 2.651 5.161
248 HA SER 36 HA SER 36 1.025 5.563 4.812
249 HB2 SER 36 HB2 SER 36 2.162 4.682 6.868
250 HB3 SER 36 HB3 SER 36 3.493 4.129 5.836
251 HG SER 36 HG SER 36 3.856 6.234 6.702
252 H ASN 37 H ASN 37 2.920 2.851 3.444
253 HA ASN 37 HA ASN 37 3.475 4.472 1.058
254 HB2 ASN 37 HB2 ASN 37 5.288 4.941 2.820
255 HB3 ASN 37 HB3 ASN 37 5.785 3.257 2.629
256 HD21 ASN 37 HD21 ASN 37 7.853 4.394 2.031
257 HD22 ASN 37 HD22 ASN 37 8.067 4.832 0.347
258 H ALA 38 H ALA 38 5.139 2.875 -0.356
259 HA ALA 38 HA ALA 38 4.387 0.059 -0.049
260 HB1 ALA 38 HB1 ALA 38 3.269 -0.084 -2.198
261 HB2 ALA 38 HB2 ALA 38 2.453 1.170 -1.245
262 HB3 ALA 38 HB3 ALA 38 3.596 1.635 -2.526
263 H GLN 39 H GLN 39 5.351 -1.276 -1.786
264 HA GLN 39 HA GLN 39 7.369 -0.070 -3.512
265 HB2 GLN 39 HB2 GLN 39 9.197 -1.480 -2.718
266 HB3 GLN 39 HB3 GLN 39 8.640 -0.409 -1.421
267 HG2 GLN 39 HG2 GLN 39 7.377 -2.223 -0.399
268 HG3 GLN 39 HG3 GLN 39 7.758 -3.308 -1.751
269 HE21 GLN 39 HE21 GLN 39 9.463 -1.227 0.668
270 HE22 GLN 39 HE22 GLN 39 10.770 -2.365 0.940
271 H CYS 40 H CYS 40 8.238 -1.729 -5.040
272 HA CYS 40 HA CYS 40 6.196 -3.807 -5.562
273 HB2 CYS 40 HB2 CYS 40 8.476 -2.747 -7.254
274 HB3 CYS 40 HB3 CYS 40 7.343 -4.007 -7.756
275 H THR 41 H THR 41 6.694 -5.986 -5.664
276 HA THR 41 HA THR 41 9.377 -6.816 -4.655
277 HB THR 41 HB THR 41 8.239 -8.414 -3.161
278 HG1 THR 41 HG1 THR 41 6.014 -8.114 -2.817
279 HG21 THR 41 HG21 THR 41 7.509 -6.801 -1.475
280 HG22 THR 41 HG22 THR 41 8.941 -6.182 -2.320
281 HG23 THR 41 HG23 THR 41 7.325 -5.541 -2.709
282 H GLY 42 H GLY 42 9.323 -9.398 -4.634
283 HA2 GLY 42 HA2 GLY 42 8.791 -11.376 -5.832
284 HA3 GLY 42 HA3 GLY 42 8.134 -10.408 -7.160
285 H PHE 43 H PHE 43 9.717 -12.270 -8.047
286 HA PHE 43 HA PHE 43 12.542 -11.770 -7.917
287 HB2 PHE 43 HB2 PHE 43 11.596 -13.974 -8.331
288 HB3 PHE 43 HB3 PHE 43 10.798 -13.393 -9.792
289 HD1 PHE 43 HD2 PHE 43 14.290 -13.408 -8.353
290 HD2 PHE 43 HD1 PHE 43 11.775 -14.037 -11.788
291 HE1 PHE 43 HE2 PHE 43 16.273 -14.045 -9.694
292 HE2 PHE 43 HE1 PHE 43 13.761 -14.668 -13.128
293 HZ PHE 43 HZ PHE 43 16.011 -14.673 -12.082
294 H LEU 44 H LEU 44 9.993 -10.331 -9.780
295 HA LEU 44 HA LEU 44 12.013 -8.931 -11.455
296 HB2 LEU 44 HB2 LEU 44 9.444 -10.248 -12.401
297 HB3 LEU 44 HB3 LEU 44 10.388 -9.116 -13.381
298 HG LEU 44 HG LEU 44 11.465 -11.740 -12.270
299 HD11 LEU 44 HD11 LEU 44 10.494 -10.998 -15.060
300 HD12 LEU 44 HD12 LEU 44 11.285 -12.529 -14.608
301 HD13 LEU 44 HD13 LEU 44 9.696 -12.118 -13.930
302 HD21 LEU 44 HD21 LEU 44 13.235 -10.050 -12.716
303 HD22 LEU 44 HD22 LEU 44 13.284 -11.355 -13.914
304 HD23 LEU 44 HD23 LEU 44 12.563 -9.785 -14.345
305 H GLY 45 H GLY 45 10.080 -8.387 -9.004
306 HA2 GLY 45 HA2 GLY 45 9.116 -6.439 -8.228
307 HA3 GLY 45 HA3 GLY 45 9.550 -5.644 -9.752
308 H THR 46 H THR 46 7.751 -8.598 -10.080
309 HA THR 46 HA THR 46 5.573 -7.126 -11.313
310 HB THR 46 HB THR 46 4.769 -9.462 -11.861
311 HG1 THR 46 HG1 THR 46 6.222 -11.125 -11.366
312 HG21 THR 46 HG21 THR 46 6.220 -8.189 -13.394
313 HG22 THR 46 HG22 THR 46 7.665 -8.786 -12.546
314 HG23 THR 46 HG23 THR 46 6.622 -9.923 -13.433
315 H THR 47 H THR 47 6.042 -7.519 -8.146
316 HA THR 47 HA THR 47 3.149 -8.040 -7.603
317 HB THR 47 HB THR 47 5.522 -8.806 -5.866
318 HG1 THR 47 HG1 THR 47 5.306 -10.091 -7.717
319 HG21 THR 47 HG21 THR 47 2.533 -9.338 -5.618
320 HG22 THR 47 HG22 THR 47 3.786 -10.121 -4.630
321 HG23 THR 47 HG23 THR 47 3.540 -8.371 -4.504
322 H CYS 48 H CYS 48 2.265 -6.876 -5.792
323 HA CYS 48 HA CYS 48 3.745 -4.359 -5.164
324 HB2 CYS 48 HB2 CYS 48 1.819 -3.896 -6.527
325 HB3 CYS 48 HB3 CYS 48 0.798 -4.955 -5.545
326 H THR 49 H THR 49 3.934 -3.732 -3.060
327 HA THR 49 HA THR 49 2.527 -5.278 -0.955
328 HB THR 49 HB THR 49 5.544 -4.954 -1.166
329 HG1 THR 49 HG1 THR 49 4.706 -6.644 -2.391
330 HG21 THR 49 HG21 THR 49 4.883 -4.736 1.172
331 HG22 THR 49 HG22 THR 49 3.804 -6.152 1.040
332 HG23 THR 49 HG23 THR 49 5.569 -6.343 0.923
333 H CYS 50 H CYS 50 2.200 -4.099 0.950
334 HA CYS 50 HA CYS 50 2.735 -1.201 0.690
335 HB2 CYS 50 HB2 CYS 50 0.904 -2.685 2.592
336 HB3 CYS 50 HB3 CYS 50 1.026 -0.936 2.384
337 H ILE 51 H ILE 51 3.268 0.015 2.674
338 HA ILE 51 HA ILE 51 5.314 -1.432 4.282
339 HB ILE 51 HB ILE 51 5.042 1.497 3.542
340 HG12 ILE 51 HG12 ILE 51 5.710 0.144 1.605
341 HG13 ILE 51 HG13 ILE 51 7.044 1.156 2.159
342 HG21 ILE 51 HG21 ILE 51 6.108 1.347 5.687
343 HG22 ILE 51 HG22 ILE 51 7.169 0.027 5.140
344 HG23 ILE 51 HG23 ILE 51 7.359 1.673 4.481
345 HD11 ILE 51 HD11 ILE 51 7.820 -1.085 1.578
346 HD12 ILE 51 HD12 ILE 51 8.043 -0.812 3.316
347 HD13 ILE 51 HD13 ILE 51 6.688 -1.821 2.729
348 H ASN 52 H ASN 52 5.402 -1.134 6.504
349 HA ASN 52 HA ASN 52 2.856 -0.678 7.761
350 HB2 ASN 52 HB2 ASN 52 4.071 -1.282 9.826
351 HB3 ASN 52 HB3 ASN 52 4.327 -2.432 8.517
352 HD21 ASN 52 HD21 ASN 52 6.055 -2.658 10.499
353 HD22 ASN 52 HD22 ASN 52 7.612 -1.955 10.103
354 HA PRO 53 HA PRO 53 2.331 -0.246 10.071
355 HB2 PRO 53 HB2 PRO 53 0.552 1.424 11.219
356 HB3 PRO 53 HB3 PRO 53 2.236 1.303 11.825
357 HG2 PRO 53 HG2 PRO 53 1.113 3.353 9.889
358 HG3 PRO 53 HG3 PRO 53 2.046 3.660 11.393
359 HD2 PRO 53 HD2 PRO 53 3.255 3.581 8.945
360 HD3 PRO 53 HD3 PRO 53 4.062 2.923 10.395
361 H CYS 54 H CYS 54 0.038 -0.825 9.871
362 HA CYS 54 HA CYS 54 -1.366 0.346 7.536
363 HB2 CYS 54 HB2 CYS 54 -0.677 -2.559 8.014
364 HB3 CYS 54 HB3 CYS 54 -1.969 -2.057 6.926
365 HA PRO 55 HA PRO 55 -3.970 -0.344 11.399
366 HB2 PRO 55 HB2 PRO 55 -5.111 2.150 11.474
367 HB3 PRO 55 HB3 PRO 55 -3.515 1.782 12.197
368 HG2 PRO 55 HG2 PRO 55 -4.072 2.932 9.441
369 HG3 PRO 55 HG3 PRO 55 -2.957 3.573 10.697
370 HD2 PRO 55 HD2 PRO 55 -1.997 2.028 8.719
371 HD3 PRO 55 HD3 PRO 55 -1.445 1.751 10.393
372 H ARG 56 H ARG 56 -6.370 -0.099 11.602
373 HA ARG 56 HA ARG 56 -7.659 -1.152 9.254
374 HB2 ARG 56 HB2 ARG 56 -8.719 -0.221 11.951
375 HB3 ARG 56 HB3 ARG 56 -9.702 -1.054 10.732
376 HG2 ARG 56 HG2 ARG 56 -7.190 -2.234 11.980
377 HG3 ARG 56 HG3 ARG 56 -8.842 -2.549 12.546
378 HD2 ARG 56 HD2 ARG 56 -9.439 -3.458 10.329
379 HD3 ARG 56 HD3 ARG 56 -7.797 -3.145 9.747
380 HE ARG 56 HE ARG 56 -6.984 -4.954 10.978
381 HH11 ARG 56 HH11 ARG 56 -10.393 -4.402 11.721
382 HH12 ARG 56 HH12 ARG 56 -10.585 -5.941 12.535
383 HH21 ARG 56 HH21 ARG 56 -7.254 -6.937 12.067
384 HH22 ARG 56 HH22 ARG 56 -8.812 -7.367 12.728
385 H CYS 57 H CYS 57 -9.710 -0.356 8.422
386 HA CYS 57 HA CYS 57 -10.201 2.540 8.553
387 HB2 CYS 57 HB2 CYS 57 -8.564 2.319 6.753
388 HB3 CYS 57 HB3 CYS 57 -9.520 1.046 5.992
Start of MODEL 20
1 HA PCA 1 HA PCA 1 -16.539 -1.638 -1.515
2 HB2 PCA 1 HB2 PCA 1 -18.369 0.783 -1.586
3 HB3 PCA 1 HB3 PCA 1 -18.072 -0.430 -2.886
4 HG2 PCA 1 HG2 PCA 1 -19.385 -2.066 -1.762
5 HG3 PCA 1 HG3 PCA 1 -20.247 -0.585 -1.204
6 H ASN 2 H ASN 2 -16.176 0.492 1.084
7 HA ASN 2 HA ASN 2 -14.659 2.572 -0.264
8 HB2 ASN 2 HB2 ASN 2 -15.027 1.836 2.669
9 HB3 ASN 2 HB3 ASN 2 -14.161 3.264 2.105
10 HD21 ASN 2 HD21 ASN 2 -16.260 3.638 3.813
11 HD22 ASN 2 HD22 ASN 2 -17.614 4.341 2.953
12 H CYS 3 H CYS 3 -13.948 -0.602 0.148
13 HA CYS 3 HA CYS 3 -11.060 -0.085 0.081
14 HB2 CYS 3 HB2 CYS 3 -10.707 -1.936 1.765
15 HB3 CYS 3 HB3 CYS 3 -11.244 -0.381 2.396
16 HA PRO 4 HA PRO 4 -12.410 -3.370 -2.857
17 HB2 PRO 4 HB2 PRO 4 -11.093 -2.454 -5.039
18 HB3 PRO 4 HB3 PRO 4 -12.622 -1.699 -4.480
19 HG2 PRO 4 HG2 PRO 4 -9.786 -0.799 -3.885
20 HG3 PRO 4 HG3 PRO 4 -11.143 0.194 -4.518
21 HD2 PRO 4 HD2 PRO 4 -10.526 0.122 -1.866
22 HD3 PRO 4 HD3 PRO 4 -12.229 0.216 -2.421
23 H THR 5 H THR 5 -10.901 -4.750 -4.306
24 HA THR 5 HA THR 5 -8.277 -5.134 -2.928
25 HB THR 5 HB THR 5 -9.994 -7.239 -4.293
26 HG1 THR 5 HG1 THR 5 -10.500 -7.865 -2.197
27 HG21 THR 5 HG21 THR 5 -7.563 -7.408 -2.448
28 HG22 THR 5 HG22 THR 5 -8.485 -8.794 -3.072
29 HG23 THR 5 HG23 THR 5 -7.577 -7.759 -4.198
30 H ARG 6 H ARG 6 -6.511 -4.902 -4.220
31 HA ARG 6 HA ARG 6 -6.739 -5.440 -7.132
32 HB2 ARG 6 HB2 ARG 6 -5.595 -2.913 -5.880
33 HB3 ARG 6 HB3 ARG 6 -5.432 -3.360 -7.582
34 HG2 ARG 6 HG2 ARG 6 -8.089 -2.864 -6.171
35 HG3 ARG 6 HG3 ARG 6 -7.223 -1.678 -7.153
36 HD2 ARG 6 HD2 ARG 6 -8.233 -4.374 -8.165
37 HD3 ARG 6 HD3 ARG 6 -9.029 -2.814 -8.417
38 HE ARG 6 HE ARG 6 -6.510 -2.364 -9.402
39 HH11 ARG 6 HH11 ARG 6 -8.936 -4.873 -9.990
40 HH12 ARG 6 HH12 ARG 6 -8.435 -5.132 -11.644
41 HH21 ARG 6 HH21 ARG 6 -5.872 -2.730 -11.560
42 HH22 ARG 6 HH22 ARG 6 -6.708 -3.918 -12.530
43 H ARG 7 H ARG 7 -4.846 -6.148 -8.075
44 HA ARG 7 HA ARG 7 -2.373 -6.319 -6.451
45 HB2 ARG 7 HB2 ARG 7 -3.757 -8.688 -7.788
46 HB3 ARG 7 HB3 ARG 7 -2.152 -8.726 -7.050
47 HG2 ARG 7 HG2 ARG 7 -4.763 -8.154 -5.584
48 HG3 ARG 7 HG3 ARG 7 -3.906 -9.695 -5.598
49 HD2 ARG 7 HD2 ARG 7 -2.770 -7.088 -4.517
50 HD3 ARG 7 HD3 ARG 7 -3.479 -8.385 -3.538
51 HE ARG 7 HE ARG 7 -1.585 -9.787 -4.784
52 HH11 ARG 7 HH11 ARG 7 -1.391 -6.535 -3.398
53 HH12 ARG 7 HH12 ARG 7 0.322 -6.677 -3.048
54 HH21 ARG 7 HH21 ARG 7 0.631 -9.942 -4.238
55 HH22 ARG 7 HH22 ARG 7 1.442 -8.578 -3.499
56 H GLY 8 H GLY 8 -0.512 -7.048 -7.863
57 HA2 GLY 8 HA2 GLY 8 0.710 -7.027 -9.803
58 HA3 GLY 8 HA3 GLY 8 -0.799 -7.135 -10.724
59 H LEU 9 H LEU 9 -0.539 -4.481 -8.466
60 HA LEU 9 HA LEU 9 -1.001 -2.537 -10.484
61 HB2 LEU 9 HB2 LEU 9 0.045 -2.296 -7.631
62 HB3 LEU 9 HB3 LEU 9 -0.519 -0.936 -8.617
63 HG LEU 9 HG LEU 9 -2.248 -3.347 -7.909
64 HD11 LEU 9 HD11 LEU 9 -2.164 -0.563 -6.698
65 HD12 LEU 9 HD12 LEU 9 -3.332 -1.848 -6.290
66 HD13 LEU 9 HD13 LEU 9 -1.623 -2.067 -5.898
67 HD21 LEU 9 HD21 LEU 9 -2.874 -0.612 -9.100
68 HD22 LEU 9 HD22 LEU 9 -2.966 -2.164 -9.959
69 HD23 LEU 9 HD23 LEU 9 -4.084 -1.818 -8.621
70 H CYS 10 H CYS 10 2.004 -3.920 -9.318
71 HA CYS 10 HA CYS 10 3.650 -1.735 -10.298
72 HB2 CYS 10 HB2 CYS 10 4.267 -4.541 -9.331
73 HB3 CYS 10 HB3 CYS 10 5.503 -3.391 -9.846
74 H VAL 11 H VAL 11 1.773 -3.837 -11.989
75 HA VAL 11 HA VAL 11 3.708 -3.912 -14.260
76 HB VAL 11 HB VAL 11 1.573 -5.972 -13.563
77 HG11 VAL 11 HG11 VAL 11 1.920 -5.788 -16.001
78 HG12 VAL 11 HG12 VAL 11 3.682 -5.893 -15.766
79 HG13 VAL 11 HG13 VAL 11 2.641 -7.283 -15.386
80 HG21 VAL 11 HG21 VAL 11 3.492 -6.114 -12.029
81 HG22 VAL 11 HG22 VAL 11 3.519 -7.467 -13.173
82 HG23 VAL 11 HG23 VAL 11 4.612 -6.082 -13.413
83 H THR 12 H THR 12 0.422 -3.236 -13.099
84 HA THR 12 HA THR 12 -0.561 -2.763 -15.826
85 HB THR 12 HB THR 12 -2.663 -2.151 -14.667
86 HG1 THR 12 HG1 THR 12 -2.739 -2.429 -12.429
87 HG21 THR 12 HG21 THR 12 -2.174 -4.509 -15.279
88 HG22 THR 12 HG22 THR 12 -1.425 -4.768 -13.691
89 HG23 THR 12 HG23 THR 12 -3.158 -4.404 -13.801
90 H SER 13 H SER 13 1.056 -0.949 -13.367
91 HA SER 13 HA SER 13 0.841 1.455 -15.059
92 HB2 SER 13 HB2 SER 13 -1.091 1.546 -13.432
93 HB3 SER 13 HB3 SER 13 0.091 1.512 -12.109
94 HG SER 13 HG SER 13 -0.545 3.657 -12.744
95 H GLY 14 H GLY 14 2.046 -0.075 -12.062
96 HA2 GLY 14 HA2 GLY 14 4.564 -0.224 -11.960
97 HA3 GLY 14 HA3 GLY 14 4.573 1.506 -12.312
98 H LEU 15 H LEU 15 5.838 1.491 -10.238
99 HA LEU 15 HA LEU 15 4.740 0.767 -7.746
100 HB2 LEU 15 HB2 LEU 15 7.106 1.213 -8.113
101 HB3 LEU 15 HB3 LEU 15 6.764 2.890 -8.567
102 HG LEU 15 HG LEU 15 5.988 3.390 -6.295
103 HD11 LEU 15 HD11 LEU 15 6.790 0.509 -5.683
104 HD12 LEU 15 HD12 LEU 15 6.342 1.743 -4.474
105 HD13 LEU 15 HD13 LEU 15 5.134 1.161 -5.633
106 HD21 LEU 15 HD21 LEU 15 8.695 1.995 -6.364
107 HD22 LEU 15 HD22 LEU 15 8.365 3.668 -6.870
108 HD23 LEU 15 HD23 LEU 15 8.164 3.201 -5.167
109 H THR 16 H THR 16 4.159 3.636 -9.743
110 HA THR 16 HA THR 16 3.267 5.385 -7.704
111 HB THR 16 HB THR 16 2.283 5.235 -10.574
112 HG1 THR 16 HG1 THR 16 4.040 6.603 -10.966
113 HG21 THR 16 HG21 THR 16 2.530 7.535 -8.588
114 HG22 THR 16 HG22 THR 16 2.058 7.698 -10.293
115 HG23 THR 16 HG23 THR 16 1.016 6.806 -9.166
116 H ALA 17 H ALA 17 1.458 2.874 -9.598
117 HA ALA 17 HA ALA 17 -1.049 3.648 -8.340
118 HB1 ALA 17 HB1 ALA 17 -0.292 1.198 -9.991
119 HB2 ALA 17 HB2 ALA 17 -1.938 1.683 -9.543
120 HB3 ALA 17 HB3 ALA 17 -0.977 2.719 -10.619
121 H CYS 18 H CYS 18 1.569 1.347 -7.714
122 HA CYS 18 HA CYS 18 0.113 -0.276 -5.833
123 HB2 CYS 18 HB2 CYS 18 2.154 -1.032 -6.955
124 HB3 CYS 18 HB3 CYS 18 3.073 0.291 -6.254
125 H ARG 19 H ARG 19 1.912 2.803 -5.644
126 HA ARG 19 HA ARG 19 1.878 2.844 -2.732
127 HB2 ARG 19 HB2 ARG 19 3.628 3.874 -4.247
128 HB3 ARG 19 HB3 ARG 19 2.424 5.102 -4.694
129 HG2 ARG 19 HG2 ARG 19 2.212 5.771 -2.321
130 HG3 ARG 19 HG3 ARG 19 3.372 4.510 -1.855
131 HD2 ARG 19 HD2 ARG 19 5.095 5.584 -3.286
132 HD3 ARG 19 HD3 ARG 19 3.944 6.868 -3.694
133 HE ARG 19 HE ARG 19 5.206 6.369 -1.044
134 HH11 ARG 19 HH11 ARG 19 3.162 8.418 -3.077
135 HH12 ARG 19 HH12 ARG 19 3.220 9.774 -1.972
136 HH21 ARG 19 HH21 ARG 19 5.277 8.148 0.367
137 HH22 ARG 19 HH22 ARG 19 4.410 9.615 -0.026
138 H ASN 20 H ASN 20 -0.048 4.216 -5.391
139 HA ASN 20 HA ASN 20 -1.622 5.914 -3.668
140 HB2 ASN 20 HB2 ASN 20 -2.110 4.821 -6.468
141 HB3 ASN 20 HB3 ASN 20 -3.143 6.019 -5.682
142 HD21 ASN 20 HD21 ASN 20 -2.043 6.676 -8.076
143 HD22 ASN 20 HD22 ASN 20 -0.781 7.871 -7.856
144 H HIS 21 H HIS 21 -1.729 2.489 -4.436
145 HA HIS 21 HA HIS 21 -4.496 2.189 -3.496
146 HB2 HIS 21 HB2 HIS 21 -3.618 0.830 -5.331
147 HB3 HIS 21 HB3 HIS 21 -2.345 0.197 -4.279
148 HD1 HIS 21 HD1 HIS 21 -6.235 0.118 -4.415
149 HD2 HIS 21 HD2 HIS 21 -2.889 -1.977 -2.972
150 HE1 HIS 21 HE1 HIS 21 -7.114 -2.067 -3.430
151 H CYS 22 H CYS 22 -1.172 1.740 -2.289
152 HA CYS 22 HA CYS 22 -2.028 0.442 0.167
153 HB2 CYS 22 HB2 CYS 22 0.541 1.760 -0.721
154 HB3 CYS 22 HB3 CYS 22 0.348 1.015 0.860
155 H ARG 23 H ARG 23 -1.613 3.823 -0.883
156 HA ARG 23 HA ARG 23 -1.707 4.801 1.878
157 HB2 ARG 23 HB2 ARG 23 -1.615 6.135 -0.842
158 HB3 ARG 23 HB3 ARG 23 -1.818 7.047 0.666
159 HG2 ARG 23 HG2 ARG 23 0.254 6.096 1.572
160 HG3 ARG 23 HG3 ARG 23 0.479 5.119 0.116
161 HD2 ARG 23 HD2 ARG 23 1.885 7.141 0.033
162 HD3 ARG 23 HD3 ARG 23 0.674 7.163 -1.251
163 HE ARG 23 HE ARG 23 -0.323 9.014 -0.300
164 HH11 ARG 23 HH11 ARG 23 1.915 7.602 2.057
165 HH12 ARG 23 HH12 ARG 23 1.796 8.964 3.145
166 HH21 ARG 23 HH21 ARG 23 -0.460 10.759 1.165
167 HH22 ARG 23 HH22 ARG 23 0.450 10.719 2.656
168 H SER 24 H SER 24 -4.008 3.884 -0.535
169 HA SER 24 HA SER 24 -6.179 5.271 0.945
170 HB2 SER 24 HB2 SER 24 -7.604 4.633 -0.928
171 HB3 SER 24 HB3 SER 24 -6.158 5.464 -1.539
172 HG SER 24 HG SER 24 -6.599 3.560 -2.710
173 H CYS 25 H CYS 25 -8.195 3.770 1.307
174 HA CYS 25 HA CYS 25 -7.134 1.500 2.781
175 HB2 CYS 25 HB2 CYS 25 -8.952 3.012 3.596
176 HB3 CYS 25 HB3 CYS 25 -10.045 2.243 2.433
177 H HIS 26 H HIS 26 -7.368 -0.645 2.409
178 HA HIS 26 HA HIS 26 -8.716 -1.581 -0.053
179 HB2 HIS 26 HB2 HIS 26 -6.566 -2.783 -0.647
180 HB3 HIS 26 HB3 HIS 26 -6.518 -1.026 -0.847
181 HD1 HIS 26 HD1 HIS 26 -4.665 0.247 0.454
182 HD2 HIS 26 HD2 HIS 26 -5.327 -3.708 1.745
183 HE1 HIS 26 HE1 HIS 26 -2.850 -0.262 2.196
184 HE2 HIS 26 HE2 HIS 26 -3.258 -2.676 2.966
185 H ARG 27 H ARG 27 -8.506 -4.070 -0.126
186 HA ARG 27 HA ARG 27 -9.464 -5.034 2.410
187 HB2 ARG 27 HB2 ARG 27 -10.284 -5.760 0.141
188 HB3 ARG 27 HB3 ARG 27 -8.730 -6.562 -0.115
189 HG2 ARG 27 HG2 ARG 27 -10.441 -8.166 0.618
190 HG3 ARG 27 HG3 ARG 27 -9.148 -8.043 1.817
191 HD2 ARG 27 HD2 ARG 27 -10.559 -6.505 3.170
192 HD3 ARG 27 HD3 ARG 27 -11.846 -6.635 1.954
193 HE ARG 27 HE ARG 27 -11.081 -9.241 2.850
194 HH11 ARG 27 HH11 ARG 27 -12.809 -6.354 3.929
195 HH12 ARG 27 HH12 ARG 27 -13.834 -7.236 5.041
196 HH21 ARG 27 HH21 ARG 27 -12.432 -10.370 4.308
197 HH22 ARG 27 HH22 ARG 27 -13.614 -9.497 5.254
198 H GLY 28 H GLY 28 -8.520 -6.326 3.919
199 HA2 GLY 28 HA2 GLY 28 -5.639 -7.024 3.566
200 HA3 GLY 28 HA3 GLY 28 -6.372 -6.552 5.106
201 H ASP 29 H ASP 29 -5.260 -8.738 5.613
202 HA ASP 29 HA ASP 29 -6.654 -11.113 4.641
203 HB2 ASP 29 HB2 ASP 29 -4.439 -10.708 6.680
204 HB3 ASP 29 HB3 ASP 29 -5.026 -12.275 6.118
205 H VAL 30 H VAL 30 -7.167 -8.893 7.202
206 HA VAL 30 HA VAL 30 -8.948 -10.864 8.570
207 HB VAL 30 HB VAL 30 -7.166 -8.775 9.883
208 HG11 VAL 30 HG11 VAL 30 -9.059 -10.853 11.065
209 HG12 VAL 30 HG12 VAL 30 -7.894 -9.884 11.997
210 HG13 VAL 30 HG13 VAL 30 -9.239 -9.083 11.158
211 HG21 VAL 30 HG21 VAL 30 -6.010 -10.739 10.869
212 HG22 VAL 30 HG22 VAL 30 -7.031 -11.817 9.879
213 HG23 VAL 30 HG23 VAL 30 -5.868 -10.712 9.101
214 H GLY 31 H GLY 31 -8.499 -7.742 7.139
215 HA2 GLY 31 HA2 GLY 31 -11.204 -7.038 7.063
216 HA3 GLY 31 HA3 GLY 31 -10.518 -6.255 8.499
217 H CYS 32 H CYS 32 -11.323 -4.419 6.780
218 HA CYS 32 HA CYS 32 -9.340 -3.884 4.721
219 HB2 CYS 32 HB2 CYS 32 -11.686 -2.277 5.772
220 HB3 CYS 32 HB3 CYS 32 -10.601 -1.730 4.494
221 H VAL 33 H VAL 33 -7.764 -2.369 4.673
222 HA VAL 33 HA VAL 33 -7.143 -0.793 7.093
223 HB VAL 33 HB VAL 33 -4.806 -1.664 7.084
224 HG11 VAL 33 HG11 VAL 33 -5.254 -3.758 8.250
225 HG12 VAL 33 HG12 VAL 33 -6.450 -2.529 8.698
226 HG13 VAL 33 HG13 VAL 33 -6.885 -3.834 7.559
227 HG21 VAL 33 HG21 VAL 33 -4.301 -3.794 5.981
228 HG22 VAL 33 HG22 VAL 33 -5.914 -3.815 5.232
229 HG23 VAL 33 HG23 VAL 33 -4.738 -2.553 4.791
230 H ARG 34 H ARG 34 -5.353 0.721 6.725
231 HA ARG 34 HA ARG 34 -4.597 1.119 3.887
232 HB2 ARG 34 HB2 ARG 34 -4.977 3.472 3.980
233 HB3 ARG 34 HB3 ARG 34 -6.483 2.669 4.457
234 HG2 ARG 34 HG2 ARG 34 -5.910 3.076 6.860
235 HG3 ARG 34 HG3 ARG 34 -4.449 3.938 6.338
236 HD2 ARG 34 HD2 ARG 34 -7.321 4.685 5.660
237 HD3 ARG 34 HD3 ARG 34 -6.264 5.518 6.821
238 HE ARG 34 HE ARG 34 -4.994 5.405 4.259
239 HH11 ARG 34 HH11 ARG 34 -7.610 7.058 5.971
240 HH12 ARG 34 HH12 ARG 34 -7.528 8.481 4.956
241 HH21 ARG 34 HH21 ARG 34 -4.936 7.240 2.940
242 HH22 ARG 34 HH22 ARG 34 -6.002 8.594 3.243
243 H CYS 35 H CYS 35 -2.517 2.070 3.617
244 HA CYS 35 HA CYS 35 -0.839 1.828 6.073
245 HB2 CYS 35 HB2 CYS 35 -0.082 1.174 3.228
246 HB3 CYS 35 HB3 CYS 35 0.865 0.857 4.675
247 H SER 36 H SER 36 1.553 2.715 5.213
248 HA SER 36 HA SER 36 0.975 5.587 4.751
249 HB2 SER 36 HB2 SER 36 3.274 4.086 6.049
250 HB3 SER 36 HB3 SER 36 3.235 5.842 5.817
251 HG SER 36 HG SER 36 2.440 5.231 7.871
252 H ASN 37 H ASN 37 2.839 2.852 3.405
253 HA ASN 37 HA ASN 37 3.505 4.473 1.061
254 HB2 ASN 37 HB2 ASN 37 5.275 4.934 2.874
255 HB3 ASN 37 HB3 ASN 37 5.761 3.246 2.701
256 HD21 ASN 37 HD21 ASN 37 7.865 4.368 2.148
257 HD22 ASN 37 HD22 ASN 37 8.114 4.833 0.478
258 H ALA 38 H ALA 38 5.158 2.890 -0.332
259 HA ALA 38 HA ALA 38 4.401 0.071 -0.040
260 HB1 ALA 38 HB1 ALA 38 2.484 1.179 -1.236
261 HB2 ALA 38 HB2 ALA 38 3.636 1.671 -2.509
262 HB3 ALA 38 HB3 ALA 38 3.319 -0.049 -2.215
263 H GLN 39 H GLN 39 5.372 -1.261 -1.781
264 HA GLN 39 HA GLN 39 7.417 -0.048 -3.467
265 HB2 GLN 39 HB2 GLN 39 9.224 -1.505 -2.665
266 HB3 GLN 39 HB3 GLN 39 8.673 -0.423 -1.380
267 HG2 GLN 39 HG2 GLN 39 7.377 -2.216 -0.352
268 HG3 GLN 39 HG3 GLN 39 7.728 -3.306 -1.710
269 HE21 GLN 39 HE21 GLN 39 9.512 -1.234 0.669
270 HE22 GLN 39 HE22 GLN 39 10.792 -2.396 0.950
271 H CYS 40 H CYS 40 8.358 -1.753 -4.960
272 HA CYS 40 HA CYS 40 6.271 -3.774 -5.550
273 HB2 CYS 40 HB2 CYS 40 8.528 -2.665 -7.233
274 HB3 CYS 40 HB3 CYS 40 7.408 -3.930 -7.746
275 H THR 41 H THR 41 6.750 -5.944 -5.725
276 HA THR 41 HA THR 41 9.423 -6.837 -4.744
277 HB THR 41 HB THR 41 8.236 -8.503 -3.336
278 HG1 THR 41 HG1 THR 41 6.022 -8.152 -2.981
279 HG21 THR 41 HG21 THR 41 7.551 -6.964 -1.565
280 HG22 THR 41 HG22 THR 41 9.001 -6.337 -2.371
281 HG23 THR 41 HG23 THR 41 7.408 -5.630 -2.737
282 H GLY 42 H GLY 42 9.367 -9.407 -4.843
283 HA2 GLY 42 HA2 GLY 42 8.806 -11.340 -6.108
284 HA3 GLY 42 HA3 GLY 42 8.142 -10.327 -7.394
285 H PHE 43 H PHE 43 9.732 -12.174 -8.345
286 HA PHE 43 HA PHE 43 12.552 -11.671 -8.205
287 HB2 PHE 43 HB2 PHE 43 11.605 -13.859 -8.707
288 HB3 PHE 43 HB3 PHE 43 10.806 -13.220 -10.146
289 HD1 PHE 43 HD2 PHE 43 14.300 -13.285 -8.717
290 HD2 PHE 43 HD1 PHE 43 11.777 -13.793 -12.162
291 HE1 PHE 43 HE2 PHE 43 16.285 -13.859 -10.089
292 HE2 PHE 43 HE1 PHE 43 13.764 -14.369 -13.531
293 HZ PHE 43 HZ PHE 43 16.019 -14.400 -12.496
294 H LEU 44 H LEU 44 10.012 -10.137 -10.003
295 HA LEU 44 HA LEU 44 12.044 -8.703 -11.623
296 HB2 LEU 44 HB2 LEU 44 9.447 -9.934 -12.628
297 HB3 LEU 44 HB3 LEU 44 10.436 -8.799 -13.558
298 HG LEU 44 HG LEU 44 11.433 -11.486 -12.526
299 HD11 LEU 44 HD11 LEU 44 10.511 -10.643 -15.306
300 HD12 LEU 44 HD12 LEU 44 11.234 -12.209 -14.869
301 HD13 LEU 44 HD13 LEU 44 9.646 -11.747 -14.213
302 HD21 LEU 44 HD21 LEU 44 13.245 -9.824 -12.916
303 HD22 LEU 44 HD22 LEU 44 13.268 -11.096 -14.153
304 HD23 LEU 44 HD23 LEU 44 12.588 -9.499 -14.538
305 H GLY 45 H GLY 45 10.107 -8.244 -9.158
306 HA2 GLY 45 HA2 GLY 45 9.158 -6.333 -8.300
307 HA3 GLY 45 HA3 GLY 45 9.620 -5.469 -9.785
308 H THR 46 H THR 46 7.777 -8.388 -10.218
309 HA THR 46 HA THR 46 5.644 -6.837 -11.442
310 HB THR 46 HB THR 46 4.822 -9.145 -12.094
311 HG1 THR 46 HG1 THR 46 5.741 -10.313 -10.402
312 HG21 THR 46 HG21 THR 46 6.697 -9.559 -13.650
313 HG22 THR 46 HG22 THR 46 6.298 -7.830 -13.561
314 HG23 THR 46 HG23 THR 46 7.725 -8.453 -12.708
315 H THR 47 H THR 47 6.066 -7.361 -8.283
316 HA THR 47 HA THR 47 3.161 -7.850 -7.806
317 HB THR 47 HB THR 47 5.487 -8.780 -6.086
318 HG1 THR 47 HG1 THR 47 4.843 -10.814 -6.815
319 HG21 THR 47 HG21 THR 47 3.692 -10.091 -4.927
320 HG22 THR 47 HG22 THR 47 3.520 -8.333 -4.727
321 HG23 THR 47 HG23 THR 47 2.479 -9.203 -5.883
322 H CYS 48 H CYS 48 2.265 -6.750 -5.969
323 HA CYS 48 HA CYS 48 3.766 -4.273 -5.238
324 HB2 CYS 48 HB2 CYS 48 1.810 -3.800 -6.580
325 HB3 CYS 48 HB3 CYS 48 0.817 -4.865 -5.592
326 H THR 49 H THR 49 3.970 -3.713 -3.120
327 HA THR 49 HA THR 49 2.561 -5.285 -1.039
328 HB THR 49 HB THR 49 5.587 -4.972 -1.241
329 HG1 THR 49 HG1 THR 49 4.718 -6.630 -2.504
330 HG21 THR 49 HG21 THR 49 3.830 -6.213 0.922
331 HG22 THR 49 HG22 THR 49 5.595 -6.411 0.817
332 HG23 THR 49 HG23 THR 49 4.903 -4.802 1.100
333 H CYS 50 H CYS 50 2.218 -4.127 0.862
334 HA CYS 50 HA CYS 50 2.784 -1.226 0.651
335 HB2 CYS 50 HB2 CYS 50 0.937 -2.715 2.533
336 HB3 CYS 50 HB3 CYS 50 1.064 -0.965 2.325
337 H ILE 51 H ILE 51 3.300 -0.046 2.652
338 HA ILE 51 HA ILE 51 5.351 -1.519 4.247
339 HB ILE 51 HB ILE 51 5.030 1.430 3.591
340 HG12 ILE 51 HG12 ILE 51 5.731 0.109 1.631
341 HG13 ILE 51 HG13 ILE 51 7.018 1.176 2.197
342 HG21 ILE 51 HG21 ILE 51 6.078 1.208 5.750
343 HG22 ILE 51 HG22 ILE 51 7.205 -0.027 5.140
344 HG23 ILE 51 HG23 ILE 51 7.315 1.652 4.564
345 HD11 ILE 51 HD11 ILE 51 8.122 -0.746 3.317
346 HD12 ILE 51 HD12 ILE 51 6.815 -1.818 2.749
347 HD13 ILE 51 HD13 ILE 51 7.883 -1.026 1.577
348 H ASN 52 H ASN 52 5.348 -1.402 6.473
349 HA ASN 52 HA ASN 52 2.775 -0.937 7.698
350 HB2 ASN 52 HB2 ASN 52 3.892 -1.712 9.741
351 HB3 ASN 52 HB3 ASN 52 4.283 -2.758 8.377
352 HD21 ASN 52 HD21 ASN 52 6.424 -2.901 7.636
353 HD22 ASN 52 HD22 ASN 52 7.756 -2.090 8.435
354 HA PRO 53 HA PRO 53 2.207 -0.581 10.010
355 HB2 PRO 53 HB2 PRO 53 0.487 1.095 11.236
356 HB3 PRO 53 HB3 PRO 53 2.163 0.885 11.842
357 HG2 PRO 53 HG2 PRO 53 1.127 3.062 9.993
358 HG3 PRO 53 HG3 PRO 53 2.058 3.267 11.518
359 HD2 PRO 53 HD2 PRO 53 3.276 3.254 9.077
360 HD3 PRO 53 HD3 PRO 53 4.048 2.512 10.509
361 H CYS 54 H CYS 54 -0.166 -0.977 9.831
362 HA CYS 54 HA CYS 54 -1.492 0.363 7.541
363 HB2 CYS 54 HB2 CYS 54 -1.049 -2.609 7.895
364 HB3 CYS 54 HB3 CYS 54 -2.216 -1.928 6.770
365 HA PRO 55 HA PRO 55 -4.146 -0.366 11.352
366 HB2 PRO 55 HB2 PRO 55 -5.065 2.191 11.637
367 HB3 PRO 55 HB3 PRO 55 -3.469 1.667 12.270
368 HG2 PRO 55 HG2 PRO 55 -4.057 3.025 9.609
369 HG3 PRO 55 HG3 PRO 55 -2.858 3.520 10.858
370 HD2 PRO 55 HD2 PRO 55 -2.080 2.031 8.756
371 HD3 PRO 55 HD3 PRO 55 -1.471 1.652 10.394
372 H ARG 56 H ARG 56 -6.531 0.151 11.592
373 HA ARG 56 HA ARG 56 -7.991 -0.581 9.227
374 HB2 ARG 56 HB2 ARG 56 -8.915 0.552 11.902
375 HB3 ARG 56 HB3 ARG 56 -9.969 -0.182 10.688
376 HG2 ARG 56 HG2 ARG 56 -7.695 -1.625 12.118
377 HG3 ARG 56 HG3 ARG 56 -9.413 -1.733 12.535
378 HD2 ARG 56 HD2 ARG 56 -9.896 -2.590 10.241
379 HD3 ARG 56 HD3 ARG 56 -8.161 -2.599 9.897
380 HE ARG 56 HE ARG 56 -9.665 -4.475 11.570
381 HH11 ARG 56 HH11 ARG 56 -6.456 -3.214 10.785
382 HH12 ARG 56 HH12 ARG 56 -5.632 -4.622 11.427
383 HH21 ARG 56 HH21 ARG 56 -8.562 -6.287 12.375
384 HH22 ARG 56 HH22 ARG 56 -6.817 -6.356 12.297
385 H CYS 57 H CYS 57 -9.978 0.701 8.542
386 HA CYS 57 HA CYS 57 -9.398 3.612 8.450
387 HB2 CYS 57 HB2 CYS 57 -9.746 3.694 6.111
388 HB3 CYS 57 HB3 CYS 57 -8.596 2.392 6.409