Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
567592 | 2m99 RC | 19287 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 H ARG 1 12.488 -6.582 2.146
2 HA ARG 1 HA ARG 1 10.649 -4.359 2.858
3 HB2 ARG 1 HB2 ARG 1 9.255 -5.313 0.921
4 HB3 ARG 1 HB3 ARG 1 10.611 -4.286 0.536
5 HG2 ARG 1 HG2 ARG 1 10.923 -7.285 0.439
6 HG3 ARG 1 HG3 ARG 1 10.172 -6.412 -0.878
7 HD2 ARG 1 HD2 ARG 1 12.893 -5.472 0.112
8 HD3 ARG 1 HD3 ARG 1 12.797 -6.897 -0.876
9 HE ARG 1 HE ARG 1 12.648 -4.183 -1.694
10 HH11 ARG 1 HH11 ARG 1 11.412 -7.391 -2.469
11 HH12 ARG 1 HH12 ARG 1 11.367 -7.192 -4.170
12 HH21 ARG 1 HH21 ARG 1 12.890 -3.909 -3.970
13 HH22 ARG 1 HH22 ARG 1 12.256 -5.070 -5.066
14 HA PRO 2 HA PRO 2 9.128 -7.722 5.386
15 HB2 PRO 2 HB2 PRO 2 6.925 -6.488 6.442
16 HB3 PRO 2 HB3 PRO 2 8.566 -6.104 7.002
17 HG2 PRO 2 HG2 PRO 2 6.978 -4.613 4.966
18 HG3 PRO 2 HG3 PRO 2 7.871 -3.952 6.379
19 HD2 PRO 2 HD2 PRO 2 9.071 -3.946 3.947
20 HD3 PRO 2 HD3 PRO 2 9.991 -4.418 5.391
21 H ARG 3 H ARG 3 7.540 -9.332 4.896
22 HA ARG 3 HA ARG 3 6.365 -9.277 2.342
23 HB2 ARG 3 HB2 ARG 3 5.496 -11.423 2.794
24 HB3 ARG 3 HB3 ARG 3 7.049 -11.300 3.596
25 HG2 ARG 3 HG2 ARG 3 5.899 -12.288 5.284
26 HG3 ARG 3 HG3 ARG 3 5.515 -10.620 5.712
27 HD2 ARG 3 HD2 ARG 3 3.334 -10.811 4.594
28 HD3 ARG 3 HD3 ARG 3 3.748 -12.405 3.977
29 HE ARG 3 HE ARG 3 2.863 -11.683 6.663
30 HH11 ARG 3 HH11 ARG 3 4.440 -14.282 4.747
31 HH12 ARG 3 HH12 ARG 3 3.739 -15.527 5.732
32 HH21 ARG 3 HH21 ARG 3 2.062 -13.369 7.967
33 HH22 ARG 3 HH22 ARG 3 2.219 -15.004 7.439
34 H PHE 4 H PHE 4 5.113 -7.731 5.168
35 HA PHE 4 HA PHE 4 2.341 -8.071 4.450
36 HB2 PHE 4 HB2 PHE 4 1.833 -6.698 6.183
37 HB3 PHE 4 HB3 PHE 4 3.360 -7.327 6.726
38 HD1 PHE 4 HD2 PHE 4 1.727 -4.433 5.036
39 HD2 PHE 4 HD1 PHE 4 5.113 -5.763 7.309
40 HE1 PHE 4 HE2 PHE 4 2.342 -2.087 5.451
41 HE2 PHE 4 HE1 PHE 4 5.843 -3.397 7.587
42 HZ PHE 4 HZ PHE 4 4.452 -1.563 6.714
43 H CYS 5 H CYS 5 4.982 -6.004 3.263
44 HA CYS 5 HA CYS 5 3.243 -4.065 2.011
45 HB2 CYS 5 HB2 CYS 5 6.188 -4.694 2.083
46 HB3 CYS 5 HB3 CYS 5 5.554 -3.620 0.839
47 H GLU 6 H GLU 6 4.001 -7.270 1.129
48 HA GLU 6 HA GLU 6 3.720 -6.585 -1.788
49 HB2 GLU 6 HB2 GLU 6 4.649 -8.661 -2.297
50 HB3 GLU 6 HB3 GLU 6 5.611 -7.935 -0.986
51 HG2 GLU 6 HG2 GLU 6 4.920 -9.394 0.609
52 HG3 GLU 6 HG3 GLU 6 3.469 -9.931 -0.257
53 H LEU 7 H LEU 7 1.517 -6.962 0.547
54 HA LEU 7 HA LEU 7 -0.028 -9.157 -0.528
55 HB2 LEU 7 HB2 LEU 7 -0.740 -7.029 1.492
56 HB3 LEU 7 HB3 LEU 7 -1.620 -8.548 1.202
57 HG LEU 7 HG LEU 7 1.184 -8.217 2.336
58 HD11 LEU 7 HD11 LEU 7 -1.293 -9.370 3.638
59 HD12 LEU 7 HD12 LEU 7 -0.801 -7.675 3.794
60 HD13 LEU 7 HD13 LEU 7 0.258 -8.961 4.405
61 HD21 LEU 7 HD21 LEU 7 -0.291 -10.829 2.009
62 HD22 LEU 7 HD22 LEU 7 1.332 -10.535 2.730
63 HD23 LEU 7 HD23 LEU 7 1.088 -10.287 1.010
64 H ALA 8 H ALA 8 -2.261 -8.829 -1.024
65 HA ALA 8 HA ALA 8 -2.577 -6.827 -3.187
66 HB1 ALA 8 HB1 ALA 8 -3.991 -9.429 -2.567
67 HB2 ALA 8 HB2 ALA 8 -4.470 -8.312 -3.845
68 HB3 ALA 8 HB3 ALA 8 -2.873 -9.084 -3.912
69 HA PRO 9 HA PRO 9 -5.081 -4.945 0.076
70 HB2 PRO 9 HB2 PRO 9 -5.601 -2.539 -1.078
71 HB3 PRO 9 HB3 PRO 9 -4.054 -2.954 -0.294
72 HG2 PRO 9 HG2 PRO 9 -4.748 -3.022 -3.247
73 HG3 PRO 9 HG3 PRO 9 -3.268 -2.390 -2.462
74 HD2 PRO 9 HD2 PRO 9 -3.437 -4.868 -3.597
75 HD3 PRO 9 HD3 PRO 9 -2.367 -4.516 -2.211
76 H SER 10 H SER 10 -6.802 -6.397 -0.153
77 HA SER 10 HA SER 10 -8.603 -6.589 -2.266
78 HB2 SER 10 HB2 SER 10 -8.116 -8.344 -0.604
79 HB3 SER 10 HB3 SER 10 -9.022 -7.434 0.618
80 HG SER 10 HG SER 10 -10.128 -9.172 -0.691
81 H ALA 11 H ALA 11 -8.919 -4.173 -2.502
82 HA ALA 11 HA ALA 11 -10.705 -2.746 -0.772
83 HB1 ALA 11 HB1 ALA 11 -9.980 -2.266 -3.697
84 HB2 ALA 11 HB2 ALA 11 -10.705 -1.081 -2.588
85 HB3 ALA 11 HB3 ALA 11 -9.060 -1.677 -2.292
86 H GLY 12 H GLY 12 -11.330 -5.087 -3.345
87 HA2 GLY 12 HA2 GLY 12 -13.963 -4.209 -4.041
88 HA3 GLY 12 HA3 GLY 12 -13.252 -5.803 -4.336
89 H SER 13 H SER 13 -12.892 -5.578 -1.122
90 HA SER 13 HA SER 13 -14.848 -7.449 -0.443
91 HB2 SER 13 HB2 SER 13 -13.466 -5.423 1.342
92 HB3 SER 13 HB3 SER 13 -14.293 -6.892 1.892
93 HG SER 13 HG SER 13 -11.928 -6.715 0.305
94 H CYS 14 H CYS 14 -15.108 -3.821 -0.139
95 HA CYS 14 HA CYS 14 -18.029 -4.087 -0.001
96 HB2 CYS 14 HB2 CYS 14 -16.459 -2.481 2.056
97 HB3 CYS 14 HB3 CYS 14 -18.203 -2.507 1.850
98 H PHE 15 H PHE 15 -18.986 -1.744 -0.150
99 HA PHE 15 HA PHE 15 -17.513 -0.461 -2.338
100 HB2 PHE 15 HB2 PHE 15 -19.994 -0.919 -2.370
101 HB3 PHE 15 HB3 PHE 15 -20.180 0.333 -1.148
102 HD1 PHE 15 HD1 PHE 15 -19.225 2.738 -1.732
103 HD2 PHE 15 HD2 PHE 15 -19.923 -0.378 -4.642
104 HE1 PHE 15 HE1 PHE 15 -19.118 4.405 -3.552
105 HE2 PHE 15 HE2 PHE 15 -19.934 1.326 -6.442
106 HZ PHE 15 HZ PHE 15 -19.544 3.709 -5.901
107 H ALA 16 H ALA 16 -15.844 0.911 -1.648
108 HA ALA 16 HA ALA 16 -16.664 3.115 0.026
109 HB1 ALA 16 HB1 ALA 16 -14.569 1.133 0.921
110 HB2 ALA 16 HB2 ALA 16 -14.621 2.798 1.541
111 HB3 ALA 16 HB3 ALA 16 -15.984 1.693 1.815
112 H PHE 17 H PHE 17 -15.081 4.823 0.103
113 HA PHE 17 HA PHE 17 -13.123 4.728 -2.111
114 HB2 PHE 17 HB2 PHE 17 -15.442 5.862 -2.597
115 HB3 PHE 17 HB3 PHE 17 -14.758 7.224 -1.730
116 HD1 PHE 17 HD2 PHE 17 -11.758 6.613 -2.835
117 HD2 PHE 17 HD1 PHE 17 -15.650 7.048 -4.678
118 HE1 PHE 17 HE2 PHE 17 -10.696 7.140 -4.963
119 HE2 PHE 17 HE1 PHE 17 -14.539 7.628 -6.814
120 HZ PHE 17 HZ PHE 17 -12.051 7.596 -6.970
121 H VAL 18 H VAL 18 -11.328 4.699 -0.853
122 HA VAL 18 HA VAL 18 -10.739 7.076 0.723
123 HB VAL 18 HB VAL 18 -9.594 5.574 2.465
124 HG11 VAL 18 HG11 VAL 18 -11.475 7.145 2.864
125 HG12 VAL 18 HG12 VAL 18 -12.627 5.850 2.497
126 HG13 VAL 18 HG13 VAL 18 -11.542 5.718 3.897
127 HG21 VAL 18 HG21 VAL 18 -10.816 3.519 3.078
128 HG22 VAL 18 HG22 VAL 18 -11.804 3.646 1.610
129 HG23 VAL 18 HG23 VAL 18 -10.055 3.354 1.494
130 HA PRO 19 HA PRO 19 -7.532 5.929 -2.303
131 HB2 PRO 19 HB2 PRO 19 -6.312 8.368 -2.572
132 HB3 PRO 19 HB3 PRO 19 -7.850 7.943 -3.391
133 HG2 PRO 19 HG2 PRO 19 -7.479 9.495 -0.814
134 HG3 PRO 19 HG3 PRO 19 -8.516 9.898 -2.208
135 HD2 PRO 19 HD2 PRO 19 -9.500 8.656 0.013
136 HD3 PRO 19 HD3 PRO 19 -10.106 8.243 -1.624
137 H SER 20 H SER 20 -5.791 4.840 -1.532
138 HA SER 20 HA SER 20 -4.165 6.008 0.632
139 HB2 SER 20 HB2 SER 20 -5.066 3.117 0.501
140 HB3 SER 20 HB3 SER 20 -3.996 3.836 1.678
141 HG SER 20 HG SER 20 -5.729 5.320 2.167
142 H TYR 21 H TYR 21 -2.075 4.259 0.779
143 HA TYR 21 HA TYR 21 -0.817 4.564 -1.926
144 HB2 TYR 21 HB2 TYR 21 0.088 5.000 0.869
145 HB3 TYR 21 HB3 TYR 21 1.271 4.346 -0.233
146 HD1 TYR 21 HD2 TYR 21 2.002 5.712 -2.304
147 HD2 TYR 21 HD1 TYR 21 -0.588 7.259 0.806
148 HE1 TYR 21 HE2 TYR 21 2.362 7.984 -3.129
149 HE2 TYR 21 HE1 TYR 21 -0.143 9.555 0.014
150 HH TYR 21 HH TYR 21 1.931 10.296 -2.799
151 H TYR 22 H TYR 22 0.088 2.918 -2.925
152 HA TYR 22 HA TYR 22 0.037 0.199 -1.831
153 HB2 TYR 22 HB2 TYR 22 -1.021 1.124 -4.123
154 HB3 TYR 22 HB3 TYR 22 0.630 1.207 -4.659
155 HD1 TYR 22 HD1 TYR 22 1.938 -0.896 -5.052
156 HD2 TYR 22 HD2 TYR 22 -2.224 -0.918 -3.944
157 HE1 TYR 22 HE1 TYR 22 1.770 -3.242 -5.796
158 HE2 TYR 22 HE2 TYR 22 -2.416 -3.254 -4.755
159 HH TYR 22 HH TYR 22 -1.250 -5.165 -5.502
160 H TYR 23 H TYR 23 1.984 -1.065 -2.214
161 HA TYR 23 HA TYR 23 4.542 0.507 -2.418
162 HB2 TYR 23 HB2 TYR 23 4.369 -0.468 -0.243
163 HB3 TYR 23 HB3 TYR 23 3.864 -2.021 -0.891
164 HD1 TYR 23 HD1 TYR 23 6.773 0.354 -0.827
165 HD2 TYR 23 HD2 TYR 23 5.471 -3.676 -1.620
166 HE1 TYR 23 HE1 TYR 23 9.129 -0.386 -1.062
167 HE2 TYR 23 HE2 TYR 23 7.809 -4.424 -1.680
168 HH TYR 23 HH TYR 23 10.464 -2.462 -0.802
169 H ASN 24 H ASN 24 5.845 -0.018 -4.162
170 HA ASN 24 HA ASN 24 5.117 -2.442 -5.746
171 HB2 ASN 24 HB2 ASN 24 5.992 0.299 -6.722
172 HB3 ASN 24 HB3 ASN 24 5.865 -1.138 -7.725
173 HD21 ASN 24 HD21 ASN 24 3.739 -1.963 -8.278
174 HD22 ASN 24 HD22 ASN 24 2.308 -0.980 -8.020
175 H GLN 25 H GLN 25 6.711 -3.706 -4.618
176 HA GLN 25 HA GLN 25 9.419 -3.123 -4.244
177 HB2 GLN 25 HB2 GLN 25 9.747 -5.657 -4.795
178 HB3 GLN 25 HB3 GLN 25 9.000 -5.172 -3.304
179 HG2 GLN 25 HG2 GLN 25 7.369 -5.992 -5.755
180 HG3 GLN 25 HG3 GLN 25 8.049 -7.153 -4.614
181 HE21 GLN 25 HE21 GLN 25 5.309 -5.079 -5.154
182 HE22 GLN 25 HE22 GLN 25 4.668 -5.218 -3.547
183 H TYR 26 H TYR 26 7.776 -4.227 -7.216
184 HA TYR 26 HA TYR 26 9.917 -4.862 -8.831
185 HB2 TYR 26 HB2 TYR 26 7.316 -3.466 -9.518
186 HB3 TYR 26 HB3 TYR 26 8.422 -4.101 -10.715
187 HD1 TYR 26 HD1 TYR 26 5.998 -5.039 -8.066
188 HD2 TYR 26 HD2 TYR 26 8.585 -6.453 -11.200
189 HE1 TYR 26 HE1 TYR 26 4.790 -7.212 -8.073
190 HE2 TYR 26 HE2 TYR 26 7.392 -8.616 -11.226
191 HH TYR 26 HH TYR 26 5.322 -9.646 -10.596
192 H SER 27 H SER 27 8.820 -1.633 -7.895
193 HA SER 27 HA SER 27 11.035 -0.487 -9.527
194 HB2 SER 27 HB2 SER 27 8.621 -0.056 -10.280
195 HB3 SER 27 HB3 SER 27 8.476 0.992 -8.862
196 HG SER 27 HG SER 27 10.465 1.136 -10.891
197 H ASN 28 H ASN 28 10.658 -1.399 -6.523
198 HA ASN 28 HA ASN 28 11.200 -0.734 -4.472
199 HB2 ASN 28 HB2 ASN 28 13.386 -0.963 -5.644
200 HB3 ASN 28 HB3 ASN 28 13.354 0.736 -6.075
201 HD21 ASN 28 HD21 ASN 28 13.102 -1.255 -3.007
202 HD22 ASN 28 HD22 ASN 28 14.264 -0.249 -2.184
203 H THR 29 H THR 29 9.031 0.739 -5.218
204 HA THR 29 HA THR 29 9.427 3.107 -3.652
205 HB THR 29 HB THR 29 10.180 3.797 -5.952
206 HG1 THR 29 HG1 THR 29 9.363 5.156 -4.277
207 HG21 THR 29 HG21 THR 29 8.529 2.621 -7.353
208 HG22 THR 29 HG22 THR 29 8.520 4.368 -7.638
209 HG23 THR 29 HG23 THR 29 7.224 3.629 -6.689
210 H CYS 30 H CYS 30 7.017 4.362 -4.289
211 HA CYS 30 HA CYS 30 4.911 2.344 -3.712
212 HB2 CYS 30 HB2 CYS 30 5.382 5.000 -2.339
213 HB3 CYS 30 HB3 CYS 30 4.072 3.892 -1.979
214 H HIS 31 H HIS 31 2.741 3.318 -4.122
215 HA HIS 31 HA HIS 31 2.725 5.836 -5.632
216 HB2 HIS 31 HB2 HIS 31 3.338 3.783 -7.159
217 HB3 HIS 31 HB3 HIS 31 1.659 3.313 -6.948
218 HD1 HIS 31 HD1 HIS 31 0.564 4.027 -9.261
219 HD2 HIS 31 HD2 HIS 31 3.311 6.784 -7.628
220 HE1 HIS 31 HE1 HIS 31 0.680 5.971 -10.901
221 H SER 32 H SER 32 0.703 6.834 -5.583
222 HA SER 32 HA SER 32 -1.120 5.858 -3.598
223 HB2 SER 32 HB2 SER 32 -2.483 7.710 -4.087
224 HB3 SER 32 HB3 SER 32 -0.802 8.241 -4.108
225 HG SER 32 HG SER 32 -1.045 7.951 -6.555
226 H PHE 33 H PHE 33 -3.024 4.742 -3.735
227 HA PHE 33 HA PHE 33 -4.151 3.959 -6.331
228 HB2 PHE 33 HB2 PHE 33 -4.094 1.690 -6.060
229 HB3 PHE 33 HB3 PHE 33 -2.493 2.158 -5.534
230 HD1 PHE 33 HD2 PHE 33 -2.310 2.592 -2.909
231 HD2 PHE 33 HD1 PHE 33 -5.399 0.225 -4.722
232 HE1 PHE 33 HE2 PHE 33 -2.703 1.397 -0.727
233 HE2 PHE 33 HE1 PHE 33 -5.871 -0.829 -2.571
234 HZ PHE 33 HZ PHE 33 -4.446 -0.240 -0.536
235 H THR 34 H THR 34 -6.250 2.421 -5.535
236 HA THR 34 HA THR 34 -7.780 4.239 -3.705
237 HB THR 34 HB THR 34 -9.755 3.164 -5.011
238 HG1 THR 34 HG1 THR 34 -9.180 1.862 -6.456
239 HG21 THR 34 HG21 THR 34 -9.608 4.904 -6.724
240 HG22 THR 34 HG22 THR 34 -7.873 5.111 -6.409
241 HG23 THR 34 HG23 THR 34 -9.058 5.538 -5.164
242 H TYR 35 H TYR 35 -8.485 3.433 -1.717
243 HA TYR 35 HA TYR 35 -8.437 0.514 -1.387
244 HB2 TYR 35 HB2 TYR 35 -6.698 1.803 -0.165
245 HB3 TYR 35 HB3 TYR 35 -7.957 2.569 0.769
246 HD1 TYR 35 HD1 TYR 35 -6.665 -0.818 -0.249
247 HD2 TYR 35 HD2 TYR 35 -8.454 1.563 2.864
248 HE1 TYR 35 HE1 TYR 35 -6.020 -2.522 1.435
249 HE2 TYR 35 HE2 TYR 35 -7.891 -0.167 4.527
250 HH TYR 35 HH TYR 35 -6.785 -2.194 4.909
251 H SER 36 H SER 36 -9.857 0.024 0.828
252 HA SER 36 HA SER 36 -12.404 1.519 0.758
253 HB2 SER 36 HB2 SER 36 -11.954 -1.496 0.591
254 HB3 SER 36 HB3 SER 36 -13.525 -0.755 0.910
255 HG SER 36 HG SER 36 -13.070 -1.255 -1.337
256 H GLY 37 H GLY 37 -13.590 1.367 2.809
257 HA2 GLY 37 HA2 GLY 37 -11.992 1.399 5.133
258 HA3 GLY 37 HA3 GLY 37 -13.768 1.327 5.069
259 H CYS 38 H CYS 38 -14.456 -0.972 4.043
260 HA CYS 38 HA CYS 38 -13.558 -2.974 5.993
261 HB2 CYS 38 HB2 CYS 38 -15.697 -3.574 5.734
262 HB3 CYS 38 HB3 CYS 38 -15.904 -2.478 4.383
263 H GLY 39 H GLY 39 -12.685 -5.042 5.410
264 HA2 GLY 39 HA2 GLY 39 -11.478 -6.529 4.152
265 HA3 GLY 39 HA3 GLY 39 -11.919 -5.628 2.701
266 H GLY 40 H GLY 40 -10.027 -5.573 1.707
267 HA2 GLY 40 HA2 GLY 40 -8.006 -4.601 1.141
268 HA3 GLY 40 HA3 GLY 40 -8.106 -3.659 2.623
269 H ASN 41 H ASN 41 -5.637 -4.558 1.982
270 HA ASN 41 HA ASN 41 -5.039 -6.578 4.045
271 HB2 ASN 41 HB2 ASN 41 -4.001 -6.709 1.195
272 HB3 ASN 41 HB3 ASN 41 -3.073 -7.285 2.523
273 HD21 ASN 41 HD21 ASN 41 -6.528 -7.891 2.939
274 HD22 ASN 41 HD22 ASN 41 -6.404 -9.580 2.508
275 H ALA 42 H ALA 42 -2.767 -6.453 4.653
276 HA ALA 42 HA ALA 42 -2.172 -3.944 5.573
277 HB1 ALA 42 HB1 ALA 42 -0.167 -4.887 6.461
278 HB2 ALA 42 HB2 ALA 42 -1.451 -6.102 6.521
279 HB3 ALA 42 HB3 ALA 42 -0.173 -6.184 5.259
280 H ASN 43 H ASN 43 -1.155 -4.854 2.239
281 HA ASN 43 HA ASN 43 1.206 -3.211 2.419
282 HB2 ASN 43 HB2 ASN 43 1.562 -3.471 0.252
283 HB3 ASN 43 HB3 ASN 43 0.507 -4.873 0.464
284 HD21 ASN 43 HD21 ASN 43 1.036 -3.582 -2.131
285 HD22 ASN 43 HD22 ASN 43 -0.464 -2.796 -2.568
286 H ARG 44 H ARG 44 -1.956 -2.197 2.709
287 HA ARG 44 HA ARG 44 -1.809 0.265 1.225
288 HB2 ARG 44 HB2 ARG 44 -3.895 -0.884 1.609
289 HB3 ARG 44 HB3 ARG 44 -3.679 -0.882 3.355
290 HG2 ARG 44 HG2 ARG 44 -3.623 1.799 2.034
291 HG3 ARG 44 HG3 ARG 44 -5.143 0.947 1.941
292 HD2 ARG 44 HD2 ARG 44 -4.999 0.582 4.456
293 HD3 ARG 44 HD3 ARG 44 -3.678 1.768 4.474
294 HE ARG 44 HE ARG 44 -5.644 3.047 3.074
295 HH11 ARG 44 HH11 ARG 44 -5.645 1.554 6.289
296 HH12 ARG 44 HH12 ARG 44 -7.161 2.274 6.766
297 HH21 ARG 44 HH21 ARG 44 -7.505 4.059 3.688
298 HH22 ARG 44 HH22 ARG 44 -8.267 3.778 5.221
299 H PHE 45 H PHE 45 -1.045 2.155 1.856
300 HA PHE 45 HA PHE 45 -0.409 2.704 4.710
301 HB2 PHE 45 HB2 PHE 45 1.088 3.443 2.159
302 HB3 PHE 45 HB3 PHE 45 1.432 4.176 3.720
303 HD1 PHE 45 HD1 PHE 45 2.368 2.870 5.584
304 HD2 PHE 45 HD2 PHE 45 1.742 1.149 1.678
305 HE1 PHE 45 HE1 PHE 45 3.701 0.934 6.242
306 HE2 PHE 45 HE2 PHE 45 3.135 -0.780 2.312
307 HZ PHE 45 HZ PHE 45 4.199 -0.848 4.578
308 H ARG 46 H ARG 46 -0.195 5.067 5.084
309 HA ARG 46 HA ARG 46 -2.416 6.589 3.783
310 HB2 ARG 46 HB2 ARG 46 -2.151 8.121 5.855
311 HB3 ARG 46 HB3 ARG 46 -3.032 6.620 5.961
312 HG2 ARG 46 HG2 ARG 46 -1.586 7.138 7.921
313 HG3 ARG 46 HG3 ARG 46 -1.398 5.549 7.225
314 HD2 ARG 46 HD2 ARG 46 0.747 6.318 7.837
315 HD3 ARG 46 HD3 ARG 46 0.745 6.371 6.098
316 HE ARG 46 HE ARG 46 0.624 8.727 6.107
317 HH11 ARG 46 HH11 ARG 46 1.191 7.313 9.373
318 HH12 ARG 46 HH12 ARG 46 1.912 8.757 9.972
319 HH21 ARG 46 HH21 ARG 46 1.345 10.700 7.076
320 HH22 ARG 46 HH22 ARG 46 2.148 10.659 8.619
321 H THR 47 H THR 47 0.986 6.392 3.839
322 HA THR 47 HA THR 47 1.101 8.688 2.182
323 HB THR 47 HB THR 47 1.228 9.680 4.511
324 HG1 THR 47 HG1 THR 47 2.034 10.888 2.876
325 HG21 THR 47 HG21 THR 47 2.676 7.760 5.424
326 HG22 THR 47 HG22 THR 47 3.280 9.404 5.789
327 HG23 THR 47 HG23 THR 47 3.986 8.430 4.507
328 H ILE 48 H ILE 48 3.133 8.901 1.052
329 HA ILE 48 HA ILE 48 4.315 6.331 0.536
330 HB ILE 48 HB ILE 48 4.087 7.784 -1.280
331 HG12 ILE 48 HG12 ILE 48 7.061 7.751 -0.633
332 HG13 ILE 48 HG13 ILE 48 6.147 6.329 -1.020
333 HG21 ILE 48 HG21 ILE 48 5.799 9.867 0.163
334 HG22 ILE 48 HG22 ILE 48 5.230 9.984 -1.510
335 HG23 ILE 48 HG23 ILE 48 4.063 10.010 -0.200
336 HD11 ILE 48 HD11 ILE 48 5.474 7.341 -3.221
337 HD12 ILE 48 HD12 ILE 48 6.575 8.695 -2.877
338 HD13 ILE 48 HD13 ILE 48 7.210 7.048 -3.043
339 H ASP 49 H ASP 49 5.026 8.997 2.718
340 HA ASP 49 HA ASP 49 7.798 8.514 3.152
341 HB2 ASP 49 HB2 ASP 49 6.811 10.565 3.855
342 HB3 ASP 49 HB3 ASP 49 5.680 9.736 4.927
343 H GLU 50 H GLU 50 4.883 7.003 4.588
344 HA GLU 50 HA GLU 50 6.356 5.497 6.571
345 HB2 GLU 50 HB2 GLU 50 3.501 5.558 5.498
346 HB3 GLU 50 HB3 GLU 50 4.033 4.296 6.607
347 HG2 GLU 50 HG2 GLU 50 4.505 7.202 7.345
348 HG3 GLU 50 HG3 GLU 50 2.917 6.470 7.542
349 H CYS 51 H CYS 51 4.683 4.977 3.474
350 HA CYS 51 HA CYS 51 5.177 2.255 3.229
351 HB2 CYS 51 HB2 CYS 51 3.557 3.361 1.871
352 HB3 CYS 51 HB3 CYS 51 4.769 4.443 1.175
353 H ASN 52 H ASN 52 7.225 4.958 1.993
354 HA ASN 52 HA ASN 52 9.108 3.151 0.921
355 HB2 ASN 52 HB2 ASN 52 10.269 4.902 0.096
356 HB3 ASN 52 HB3 ASN 52 8.651 5.577 0.203
357 HD21 ASN 52 HD21 ASN 52 8.444 7.489 1.226
358 HD22 ASN 52 HD22 ASN 52 9.729 8.336 2.062
359 H ARG 53 H ARG 53 9.275 5.229 3.807
360 HA ARG 53 HA ARG 53 11.650 4.172 4.694
361 HB2 ARG 53 HB2 ARG 53 11.371 5.148 6.757
362 HB3 ARG 53 HB3 ARG 53 10.340 6.124 5.699
363 HG2 ARG 53 HG2 ARG 53 8.383 4.755 6.558
364 HG3 ARG 53 HG3 ARG 53 9.471 4.010 7.728
365 HD2 ARG 53 HD2 ARG 53 8.893 6.996 7.494
366 HD3 ARG 53 HD3 ARG 53 8.191 5.896 8.693
367 HE ARG 53 HE ARG 53 11.039 5.702 8.764
368 HH11 ARG 53 HH11 ARG 53 8.357 7.728 9.992
369 HH12 ARG 53 HH12 ARG 53 9.366 8.516 11.151
370 HH21 ARG 53 HH21 ARG 53 12.347 6.875 10.168
371 HH22 ARG 53 HH22 ARG 53 11.669 7.808 11.446
372 H THR 54 H THR 54 8.613 2.428 4.992
373 HA THR 54 HA THR 54 9.946 0.494 6.786
374 HB THR 54 HB THR 54 7.698 1.561 7.188
375 HG1 THR 54 HG1 THR 54 8.480 -0.315 8.311
376 HG21 THR 54 HG21 THR 54 6.529 -0.675 5.565
377 HG22 THR 54 HG22 THR 54 6.875 0.889 4.772
378 HG23 THR 54 HG23 THR 54 5.809 0.861 6.159
379 H CYS 55 H CYS 55 9.195 0.672 3.324
380 HA CYS 55 HA CYS 55 10.043 -2.185 3.177
381 HB2 CYS 55 HB2 CYS 55 7.750 -0.970 1.628
382 HB3 CYS 55 HB3 CYS 55 8.335 -2.624 1.476
383 H VAL 56 H VAL 56 10.409 0.997 1.808
384 HA VAL 56 HA VAL 56 11.598 -0.071 -0.687
385 HB VAL 56 HB VAL 56 11.371 2.694 0.499
386 HG11 VAL 56 HG11 VAL 56 12.225 3.635 -1.521
387 HG12 VAL 56 HG12 VAL 56 13.470 2.704 -0.699
388 HG13 VAL 56 HG13 VAL 56 12.659 2.027 -2.134
389 HG21 VAL 56 HG21 VAL 56 10.218 1.452 -2.037
390 HG22 VAL 56 HG22 VAL 56 9.305 1.698 -0.541
391 HG23 VAL 56 HG23 VAL 56 9.899 3.086 -1.441
392 H GLY 57 H GLY 57 13.169 -1.492 -0.054
393 HA2 GLY 57 HA2 GLY 57 15.113 -0.873 2.027
394 HA3 GLY 57 HA3 GLY 57 14.997 -2.330 1.026
Start of MODEL 2
1 H1 ARG 1 H ARG 1 13.184 -4.918 2.857
2 HA ARG 1 HA ARG 1 10.892 -4.218 3.163
3 HB2 ARG 1 HB2 ARG 1 10.573 -6.177 0.905
4 HB3 ARG 1 HB3 ARG 1 10.103 -4.473 1.028
5 HG2 ARG 1 HG2 ARG 1 12.348 -3.740 0.510
6 HG3 ARG 1 HG3 ARG 1 12.991 -5.378 0.659
7 HD2 ARG 1 HD2 ARG 1 11.925 -6.198 -1.197
8 HD3 ARG 1 HD3 ARG 1 10.851 -4.809 -1.380
9 HE ARG 1 HE ARG 1 13.595 -3.961 -1.516
10 HH11 ARG 1 HH11 ARG 1 11.577 -6.157 -3.409
11 HH12 ARG 1 HH12 ARG 1 12.361 -5.796 -4.915
12 HH21 ARG 1 HH21 ARG 1 14.553 -3.363 -3.476
13 HH22 ARG 1 HH22 ARG 1 14.027 -4.131 -4.943
14 HA PRO 2 HA PRO 2 9.013 -7.541 5.535
15 HB2 PRO 2 HB2 PRO 2 6.756 -6.277 6.360
16 HB3 PRO 2 HB3 PRO 2 8.368 -5.922 7.046
17 HG2 PRO 2 HG2 PRO 2 6.902 -4.404 4.870
18 HG3 PRO 2 HG3 PRO 2 7.731 -3.736 6.313
19 HD2 PRO 2 HD2 PRO 2 8.970 -3.797 3.892
20 HD3 PRO 2 HD3 PRO 2 9.865 -4.135 5.395
21 H ARG 3 H ARG 3 7.387 -9.084 5.255
22 HA ARG 3 HA ARG 3 6.426 -9.382 2.589
23 HB2 ARG 3 HB2 ARG 3 5.660 -11.477 3.223
24 HB3 ARG 3 HB3 ARG 3 7.067 -11.182 4.223
25 HG2 ARG 3 HG2 ARG 3 5.791 -11.894 5.938
26 HG3 ARG 3 HG3 ARG 3 5.082 -10.289 5.917
27 HD2 ARG 3 HD2 ARG 3 3.209 -11.760 5.873
28 HD3 ARG 3 HD3 ARG 3 3.376 -11.235 4.200
29 HE ARG 3 HE ARG 3 3.992 -13.358 3.549
30 HH11 ARG 3 HH11 ARG 3 4.075 -13.219 7.115
31 HH12 ARG 3 HH12 ARG 3 4.300 -14.925 7.305
32 HH21 ARG 3 HH21 ARG 3 4.108 -15.658 3.826
33 HH22 ARG 3 HH22 ARG 3 4.204 -16.341 5.411
34 H PHE 4 H PHE 4 4.930 -7.792 5.338
35 HA PHE 4 HA PHE 4 2.239 -8.115 4.394
36 HB2 PHE 4 HB2 PHE 4 1.627 -6.522 6.023
37 HB3 PHE 4 HB3 PHE 4 2.860 -7.523 6.726
38 HD1 PHE 4 HD2 PHE 4 2.356 -4.225 4.959
39 HD2 PHE 4 HD1 PHE 4 4.670 -6.488 7.813
40 HE1 PHE 4 HE2 PHE 4 3.715 -2.196 5.482
41 HE2 PHE 4 HE1 PHE 4 5.963 -4.448 8.371
42 HZ PHE 4 HZ PHE 4 5.478 -2.296 7.221
43 H CYS 5 H CYS 5 4.897 -5.981 3.405
44 HA CYS 5 HA CYS 5 3.220 -4.012 2.160
45 HB2 CYS 5 HB2 CYS 5 6.029 -4.453 2.685
46 HB3 CYS 5 HB3 CYS 5 5.838 -4.103 0.983
47 H GLU 6 H GLU 6 4.043 -7.255 1.212
48 HA GLU 6 HA GLU 6 3.676 -6.507 -1.654
49 HB2 GLU 6 HB2 GLU 6 4.911 -8.360 -2.245
50 HB3 GLU 6 HB3 GLU 6 5.751 -7.559 -0.925
51 HG2 GLU 6 HG2 GLU 6 5.232 -9.243 0.623
52 HG3 GLU 6 HG3 GLU 6 4.116 -10.049 -0.490
53 H LEU 7 H LEU 7 1.452 -6.894 0.432
54 HA LEU 7 HA LEU 7 0.086 -9.270 -0.596
55 HB2 LEU 7 HB2 LEU 7 -0.843 -7.175 1.387
56 HB3 LEU 7 HB3 LEU 7 -1.618 -8.731 1.050
57 HG LEU 7 HG LEU 7 1.074 -8.249 2.377
58 HD11 LEU 7 HD11 LEU 7 -0.952 -7.750 3.721
59 HD12 LEU 7 HD12 LEU 7 -0.031 -9.109 4.384
60 HD13 LEU 7 HD13 LEU 7 -1.524 -9.407 3.467
61 HD21 LEU 7 HD21 LEU 7 1.235 -10.348 1.144
62 HD22 LEU 7 HD22 LEU 7 -0.252 -10.934 1.961
63 HD23 LEU 7 HD23 LEU 7 1.225 -10.582 2.888
64 H ALA 8 H ALA 8 -2.247 -8.965 -1.211
65 HA ALA 8 HA ALA 8 -2.458 -6.877 -3.312
66 HB1 ALA 8 HB1 ALA 8 -2.706 -9.182 -4.067
67 HB2 ALA 8 HB2 ALA 8 -4.015 -9.451 -2.891
68 HB3 ALA 8 HB3 ALA 8 -4.241 -8.309 -4.230
69 HA PRO 9 HA PRO 9 -5.147 -5.022 -0.228
70 HB2 PRO 9 HB2 PRO 9 -5.931 -2.748 -1.544
71 HB3 PRO 9 HB3 PRO 9 -4.354 -2.972 -0.714
72 HG2 PRO 9 HG2 PRO 9 -5.000 -3.261 -3.656
73 HG3 PRO 9 HG3 PRO 9 -3.592 -2.464 -2.874
74 HD2 PRO 9 HD2 PRO 9 -3.511 -5.014 -3.906
75 HD3 PRO 9 HD3 PRO 9 -2.523 -4.524 -2.504
76 H SER 10 H SER 10 -6.882 -6.389 -0.088
77 HA SER 10 HA SER 10 -8.793 -6.903 -2.120
78 HB2 SER 10 HB2 SER 10 -8.045 -8.433 -0.262
79 HB3 SER 10 HB3 SER 10 -9.012 -7.470 0.857
80 HG SER 10 HG SER 10 -10.206 -9.239 0.098
81 H ALA 11 H ALA 11 -8.879 -4.250 -2.169
82 HA ALA 11 HA ALA 11 -10.692 -2.911 -0.427
83 HB1 ALA 11 HB1 ALA 11 -9.695 -2.271 -3.235
84 HB2 ALA 11 HB2 ALA 11 -10.629 -1.151 -2.230
85 HB3 ALA 11 HB3 ALA 11 -9.027 -1.694 -1.701
86 H GLY 12 H GLY 12 -11.380 -5.076 -3.110
87 HA2 GLY 12 HA2 GLY 12 -13.950 -3.974 -3.778
88 HA3 GLY 12 HA3 GLY 12 -13.349 -5.589 -4.179
89 H SER 13 H SER 13 -13.001 -5.480 -0.929
90 HA SER 13 HA SER 13 -15.106 -7.266 -0.359
91 HB2 SER 13 HB2 SER 13 -13.463 -5.539 1.518
92 HB3 SER 13 HB3 SER 13 -14.416 -6.958 1.986
93 HG SER 13 HG SER 13 -12.093 -6.867 0.342
94 H CYS 14 H CYS 14 -14.995 -3.690 0.083
95 HA CYS 14 HA CYS 14 -17.912 -3.697 0.584
96 HB2 CYS 14 HB2 CYS 14 -15.846 -2.351 2.370
97 HB3 CYS 14 HB3 CYS 14 -17.544 -1.919 2.324
98 H PHE 15 H PHE 15 -18.778 -1.410 0.370
99 HA PHE 15 HA PHE 15 -17.368 -0.198 -1.946
100 HB2 PHE 15 HB2 PHE 15 -19.784 -0.953 -2.077
101 HB3 PHE 15 HB3 PHE 15 -20.178 0.359 -0.967
102 HD1 PHE 15 HD1 PHE 15 -19.246 2.792 -1.697
103 HD2 PHE 15 HD2 PHE 15 -19.810 -0.556 -4.377
104 HE1 PHE 15 HE1 PHE 15 -19.122 4.312 -3.614
105 HE2 PHE 15 HE2 PHE 15 -19.854 1.011 -6.296
106 HZ PHE 15 HZ PHE 15 -19.520 3.437 -5.924
107 H ALA 16 H ALA 16 -15.909 1.295 -1.263
108 HA ALA 16 HA ALA 16 -16.873 3.574 0.253
109 HB1 ALA 16 HB1 ALA 16 -14.438 2.016 1.175
110 HB2 ALA 16 HB2 ALA 16 -15.059 3.509 1.890
111 HB3 ALA 16 HB3 ALA 16 -16.000 1.995 2.012
112 H PHE 17 H PHE 17 -15.084 5.290 0.166
113 HA PHE 17 HA PHE 17 -13.282 4.910 -2.177
114 HB2 PHE 17 HB2 PHE 17 -15.516 6.101 -2.665
115 HB3 PHE 17 HB3 PHE 17 -14.851 7.471 -1.797
116 HD1 PHE 17 HD2 PHE 17 -11.907 7.233 -2.786
117 HD2 PHE 17 HD1 PHE 17 -15.691 6.953 -4.852
118 HE1 PHE 17 HE2 PHE 17 -10.810 7.875 -4.873
119 HE2 PHE 17 HE1 PHE 17 -14.583 7.730 -6.930
120 HZ PHE 17 HZ PHE 17 -12.144 8.188 -6.944
121 H VAL 18 H VAL 18 -11.398 4.766 -0.956
122 HA VAL 18 HA VAL 18 -10.663 7.203 0.533
123 HB VAL 18 HB VAL 18 -9.577 5.689 2.277
124 HG11 VAL 18 HG11 VAL 18 -11.493 7.240 2.660
125 HG12 VAL 18 HG12 VAL 18 -12.614 5.915 2.315
126 HG13 VAL 18 HG13 VAL 18 -11.517 5.822 3.706
127 HG21 VAL 18 HG21 VAL 18 -10.787 3.616 2.856
128 HG22 VAL 18 HG22 VAL 18 -11.783 3.761 1.395
129 HG23 VAL 18 HG23 VAL 18 -10.033 3.464 1.267
130 HA PRO 19 HA PRO 19 -7.538 5.918 -2.533
131 HB2 PRO 19 HB2 PRO 19 -6.228 8.337 -2.788
132 HB3 PRO 19 HB3 PRO 19 -7.699 7.876 -3.704
133 HG2 PRO 19 HG2 PRO 19 -7.524 9.518 -1.167
134 HG3 PRO 19 HG3 PRO 19 -8.454 9.853 -2.659
135 HD2 PRO 19 HD2 PRO 19 -9.597 8.723 -0.461
136 HD3 PRO 19 HD3 PRO 19 -10.077 8.207 -2.109
137 H SER 20 H SER 20 -5.814 4.889 -1.816
138 HA SER 20 HA SER 20 -4.374 5.921 0.585
139 HB2 SER 20 HB2 SER 20 -5.063 3.031 0.096
140 HB3 SER 20 HB3 SER 20 -4.217 3.732 1.493
141 HG SER 20 HG SER 20 -6.854 4.456 0.693
142 H TYR 21 H TYR 21 -2.152 4.228 0.696
143 HA TYR 21 HA TYR 21 -0.948 4.606 -2.030
144 HB2 TYR 21 HB2 TYR 21 0.032 5.062 0.701
145 HB3 TYR 21 HB3 TYR 21 1.192 4.384 -0.462
146 HD1 TYR 21 HD2 TYR 21 2.105 5.727 -2.330
147 HD2 TYR 21 HD1 TYR 21 -0.676 7.321 0.561
148 HE1 TYR 21 HE2 TYR 21 2.558 7.993 -3.156
149 HE2 TYR 21 HE1 TYR 21 -0.051 9.583 -0.078
150 HH TYR 21 HH TYR 21 1.517 10.903 -1.358
151 H TYR 22 H TYR 22 -0.017 3.019 -3.001
152 HA TYR 22 HA TYR 22 -0.163 0.251 -2.000
153 HB2 TYR 22 HB2 TYR 22 -1.181 1.305 -4.261
154 HB3 TYR 22 HB3 TYR 22 0.482 1.280 -4.804
155 HD1 TYR 22 HD1 TYR 22 1.687 -1.018 -4.985
156 HD2 TYR 22 HD2 TYR 22 -2.549 -0.588 -4.314
157 HE1 TYR 22 HE1 TYR 22 1.390 -3.355 -5.548
158 HE2 TYR 22 HE2 TYR 22 -2.903 -2.859 -5.110
159 HH TYR 22 HH TYR 22 -1.922 -4.753 -6.009
160 H TYR 23 H TYR 23 1.723 -1.029 -2.443
161 HA TYR 23 HA TYR 23 4.345 0.435 -2.620
162 HB2 TYR 23 HB2 TYR 23 4.104 -0.498 -0.402
163 HB3 TYR 23 HB3 TYR 23 3.652 -2.068 -1.063
164 HD1 TYR 23 HD1 TYR 23 6.469 0.458 -1.209
165 HD2 TYR 23 HD2 TYR 23 5.344 -3.702 -1.533
166 HE1 TYR 23 HE1 TYR 23 8.836 -0.179 -1.351
167 HE2 TYR 23 HE2 TYR 23 7.728 -4.329 -1.501
168 HH TYR 23 HH TYR 23 10.259 -2.331 -0.826
169 H ASN 24 H ASN 24 5.711 -0.180 -4.258
170 HA ASN 24 HA ASN 24 5.052 -2.691 -5.754
171 HB2 ASN 24 HB2 ASN 24 5.821 0.034 -6.868
172 HB3 ASN 24 HB3 ASN 24 5.930 -1.466 -7.787
173 HD21 ASN 24 HD21 ASN 24 4.165 0.960 -8.198
174 HD22 ASN 24 HD22 ASN 24 2.524 0.318 -8.189
175 H GLN 25 H GLN 25 6.600 -3.862 -4.622
176 HA GLN 25 HA GLN 25 9.274 -3.194 -4.118
177 HB2 GLN 25 HB2 GLN 25 9.682 -5.754 -4.497
178 HB3 GLN 25 HB3 GLN 25 8.806 -5.209 -3.108
179 HG2 GLN 25 HG2 GLN 25 7.462 -6.200 -5.672
180 HG3 GLN 25 HG3 GLN 25 7.916 -7.241 -4.318
181 HE21 GLN 25 HE21 GLN 25 5.182 -5.597 -5.519
182 HE22 GLN 25 HE22 GLN 25 4.441 -5.235 -4.005
183 H TYR 26 H TYR 26 7.840 -4.481 -7.095
184 HA TYR 26 HA TYR 26 10.043 -5.143 -8.604
185 HB2 TYR 26 HB2 TYR 26 7.590 -3.622 -9.598
186 HB3 TYR 26 HB3 TYR 26 8.631 -4.674 -10.536
187 HD1 TYR 26 HD2 TYR 26 8.625 -7.163 -10.120
188 HD2 TYR 26 HD1 TYR 26 5.745 -4.517 -8.285
189 HE1 TYR 26 HE2 TYR 26 7.140 -9.092 -9.686
190 HE2 TYR 26 HE1 TYR 26 4.277 -6.461 -7.818
191 HH TYR 26 HH TYR 26 3.875 -8.741 -8.260
192 H SER 27 H SER 27 8.792 -1.897 -7.900
193 HA SER 27 HA SER 27 10.967 -0.648 -9.488
194 HB2 SER 27 HB2 SER 27 8.521 -0.377 -10.137
195 HB3 SER 27 HB3 SER 27 8.290 0.502 -8.631
196 HG SER 27 HG SER 27 8.660 1.767 -10.507
197 H ASN 28 H ASN 28 10.506 -1.569 -6.425
198 HA ASN 28 HA ASN 28 10.979 -0.874 -4.356
199 HB2 ASN 28 HB2 ASN 28 13.192 -1.264 -5.473
200 HB3 ASN 28 HB3 ASN 28 13.290 0.464 -5.800
201 HD21 ASN 28 HD21 ASN 28 12.415 -1.519 -2.828
202 HD22 ASN 28 HD22 ASN 28 13.705 -0.744 -1.899
203 H THR 29 H THR 29 8.884 0.564 -5.078
204 HA THR 29 HA THR 29 9.319 3.074 -3.739
205 HB THR 29 HB THR 29 9.933 3.461 -6.181
206 HG1 THR 29 HG1 THR 29 9.260 5.418 -6.036
207 HG21 THR 29 HG21 THR 29 6.923 3.349 -6.650
208 HG22 THR 29 HG22 THR 29 8.109 2.178 -7.265
209 HG23 THR 29 HG23 THR 29 8.161 3.868 -7.791
210 H CYS 30 H CYS 30 6.945 4.299 -4.125
211 HA CYS 30 HA CYS 30 4.817 2.302 -3.612
212 HB2 CYS 30 HB2 CYS 30 5.122 4.926 -2.152
213 HB3 CYS 30 HB3 CYS 30 4.016 3.623 -1.765
214 H HIS 31 H HIS 31 2.662 3.296 -4.096
215 HA HIS 31 HA HIS 31 2.738 5.799 -5.646
216 HB2 HIS 31 HB2 HIS 31 3.324 3.681 -7.097
217 HB3 HIS 31 HB3 HIS 31 1.627 3.260 -6.901
218 HD1 HIS 31 HD1 HIS 31 0.655 3.858 -9.297
219 HD2 HIS 31 HD2 HIS 31 3.357 6.656 -7.658
220 HE1 HIS 31 HE1 HIS 31 0.881 5.706 -11.024
221 H SER 32 H SER 32 0.723 6.895 -5.505
222 HA SER 32 HA SER 32 -1.126 5.877 -3.576
223 HB2 SER 32 HB2 SER 32 -2.516 7.794 -4.386
224 HB3 SER 32 HB3 SER 32 -0.946 8.167 -3.674
225 HG SER 32 HG SER 32 -0.548 9.227 -5.409
226 H PHE 33 H PHE 33 -3.183 5.005 -3.829
227 HA PHE 33 HA PHE 33 -4.216 4.275 -6.465
228 HB2 PHE 33 HB2 PHE 33 -4.180 1.982 -6.236
229 HB3 PHE 33 HB3 PHE 33 -2.593 2.431 -5.649
230 HD1 PHE 33 HD2 PHE 33 -2.489 2.817 -2.986
231 HD2 PHE 33 HD1 PHE 33 -5.396 0.396 -5.016
232 HE1 PHE 33 HE2 PHE 33 -3.032 1.652 -0.840
233 HE2 PHE 33 HE1 PHE 33 -5.901 -0.772 -2.924
234 HZ PHE 33 HZ PHE 33 -4.672 -0.128 -0.798
235 H THR 34 H THR 34 -6.323 2.742 -5.840
236 HA THR 34 HA THR 34 -7.941 4.453 -4.004
237 HB THR 34 HB THR 34 -9.840 3.342 -5.317
238 HG1 THR 34 HG1 THR 34 -7.818 3.058 -7.302
239 HG21 THR 34 HG21 THR 34 -9.716 5.035 -7.090
240 HG22 THR 34 HG22 THR 34 -7.986 5.292 -6.755
241 HG23 THR 34 HG23 THR 34 -9.207 5.726 -5.546
242 H TYR 35 H TYR 35 -8.664 3.596 -2.085
243 HA TYR 35 HA TYR 35 -8.603 0.652 -1.842
244 HB2 TYR 35 HB2 TYR 35 -6.713 1.841 -0.751
245 HB3 TYR 35 HB3 TYR 35 -7.891 2.633 0.287
246 HD1 TYR 35 HD1 TYR 35 -6.843 -0.859 -0.711
247 HD2 TYR 35 HD2 TYR 35 -8.242 1.773 2.407
248 HE1 TYR 35 HE1 TYR 35 -6.318 -2.581 0.989
249 HE2 TYR 35 HE2 TYR 35 -7.751 0.057 4.091
250 HH TYR 35 HH TYR 35 -6.710 -1.961 4.493
251 H SER 36 H SER 36 -9.944 0.070 0.342
252 HA SER 36 HA SER 36 -12.417 1.685 0.454
253 HB2 SER 36 HB2 SER 36 -12.623 -0.305 -1.050
254 HB3 SER 36 HB3 SER 36 -12.260 -1.342 0.346
255 HG SER 36 HG SER 36 -14.523 -0.969 -0.228
256 H GLY 37 H GLY 37 -13.738 0.850 2.478
257 HA2 GLY 37 HA2 GLY 37 -12.051 1.265 4.780
258 HA3 GLY 37 HA3 GLY 37 -13.791 0.983 4.781
259 H CYS 38 H CYS 38 -14.460 -1.320 4.273
260 HA CYS 38 HA CYS 38 -13.092 -3.059 6.139
261 HB2 CYS 38 HB2 CYS 38 -14.957 -4.253 6.148
262 HB3 CYS 38 HB3 CYS 38 -15.649 -2.871 5.345
263 H GLY 39 H GLY 39 -12.727 -5.440 5.482
264 HA2 GLY 39 HA2 GLY 39 -11.429 -6.976 4.361
265 HA3 GLY 39 HA3 GLY 39 -11.890 -6.149 2.859
266 H GLY 40 H GLY 40 -10.097 -5.753 1.746
267 HA2 GLY 40 HA2 GLY 40 -8.079 -4.778 1.182
268 HA3 GLY 40 HA3 GLY 40 -8.178 -3.882 2.688
269 H ASN 41 H ASN 41 -5.669 -4.729 1.935
270 HA ASN 41 HA ASN 41 -5.010 -6.752 3.990
271 HB2 ASN 41 HB2 ASN 41 -4.068 -6.920 1.109
272 HB3 ASN 41 HB3 ASN 41 -3.087 -7.456 2.436
273 HD21 ASN 41 HD21 ASN 41 -6.529 -8.105 3.005
274 HD22 ASN 41 HD22 ASN 41 -6.366 -9.799 2.647
275 H ALA 42 H ALA 42 -2.778 -6.544 4.660
276 HA ALA 42 HA ALA 42 -2.209 -3.971 5.415
277 HB1 ALA 42 HB1 ALA 42 -1.499 -5.968 6.594
278 HB2 ALA 42 HB2 ALA 42 -0.342 -6.330 5.276
279 HB3 ALA 42 HB3 ALA 42 -0.122 -4.891 6.291
280 H ASN 43 H ASN 43 -1.329 -4.978 2.092
281 HA ASN 43 HA ASN 43 1.137 -3.472 2.234
282 HB2 ASN 43 HB2 ASN 43 1.431 -3.607 0.068
283 HB3 ASN 43 HB3 ASN 43 0.378 -5.008 0.240
284 HD21 ASN 43 HD21 ASN 43 1.038 -3.349 -2.189
285 HD22 ASN 43 HD22 ASN 43 -0.527 -2.738 -2.695
286 H ARG 44 H ARG 44 -2.170 -2.468 2.239
287 HA ARG 44 HA ARG 44 -1.767 0.128 1.117
288 HB2 ARG 44 HB2 ARG 44 -3.941 -0.945 1.164
289 HB3 ARG 44 HB3 ARG 44 -3.923 -1.083 2.924
290 HG2 ARG 44 HG2 ARG 44 -3.602 1.660 1.711
291 HG3 ARG 44 HG3 ARG 44 -5.168 0.902 1.624
292 HD2 ARG 44 HD2 ARG 44 -5.059 0.555 4.158
293 HD3 ARG 44 HD3 ARG 44 -3.651 1.636 4.161
294 HE ARG 44 HE ARG 44 -5.663 2.920 2.702
295 HH11 ARG 44 HH11 ARG 44 -5.154 1.988 6.103
296 HH12 ARG 44 HH12 ARG 44 -6.366 3.091 6.686
297 HH21 ARG 44 HH21 ARG 44 -7.120 4.348 3.448
298 HH22 ARG 44 HH22 ARG 44 -7.678 4.328 5.102
299 H PHE 45 H PHE 45 -0.897 1.846 2.021
300 HA PHE 45 HA PHE 45 -1.000 2.245 4.937
301 HB2 PHE 45 HB2 PHE 45 1.515 2.118 3.373
302 HB3 PHE 45 HB3 PHE 45 1.347 3.386 4.588
303 HD1 PHE 45 HD2 PHE 45 0.873 -0.344 4.219
304 HD2 PHE 45 HD1 PHE 45 1.962 2.962 6.787
305 HE1 PHE 45 HE2 PHE 45 1.366 -1.911 6.042
306 HE2 PHE 45 HE1 PHE 45 2.544 1.365 8.571
307 HZ PHE 45 HZ PHE 45 2.265 -1.079 8.203
308 H ARG 46 H ARG 46 -0.002 4.839 4.923
309 HA ARG 46 HA ARG 46 -2.194 6.230 3.442
310 HB2 ARG 46 HB2 ARG 46 -2.073 7.787 5.531
311 HB3 ARG 46 HB3 ARG 46 -2.908 6.254 5.612
312 HG2 ARG 46 HG2 ARG 46 -1.522 6.754 7.620
313 HG3 ARG 46 HG3 ARG 46 -1.199 5.200 6.875
314 HD2 ARG 46 HD2 ARG 46 0.859 6.185 7.594
315 HD3 ARG 46 HD3 ARG 46 0.880 6.152 5.855
316 HE ARG 46 HE ARG 46 0.553 8.492 5.743
317 HH11 ARG 46 HH11 ARG 46 1.172 7.292 9.082
318 HH12 ARG 46 HH12 ARG 46 1.721 8.833 9.619
319 HH21 ARG 46 HH21 ARG 46 1.026 10.606 6.636
320 HH22 ARG 46 HH22 ARG 46 1.675 10.670 8.228
321 H THR 47 H THR 47 1.172 6.109 3.594
322 HA THR 47 HA THR 47 1.280 8.454 2.012
323 HB THR 47 HB THR 47 1.276 9.568 4.272
324 HG1 THR 47 HG1 THR 47 3.094 10.904 3.652
325 HG21 THR 47 HG21 THR 47 4.112 8.522 4.476
326 HG22 THR 47 HG22 THR 47 2.805 7.744 5.325
327 HG23 THR 47 HG23 THR 47 3.227 9.444 5.689
328 H ILE 48 H ILE 48 3.158 8.684 0.815
329 HA ILE 48 HA ILE 48 4.604 6.274 0.412
330 HB ILE 48 HB ILE 48 4.234 7.812 -1.330
331 HG12 ILE 48 HG12 ILE 48 7.219 7.694 -0.791
332 HG13 ILE 48 HG13 ILE 48 6.272 6.338 -1.276
333 HG21 ILE 48 HG21 ILE 48 4.285 9.993 -0.117
334 HG22 ILE 48 HG22 ILE 48 6.046 9.839 0.061
335 HG23 ILE 48 HG23 ILE 48 5.307 10.024 -1.537
336 HD11 ILE 48 HD11 ILE 48 5.492 7.610 -3.332
337 HD12 ILE 48 HD12 ILE 48 6.708 8.843 -2.934
338 HD13 ILE 48 HD13 ILE 48 7.200 7.186 -3.308
339 H ASP 49 H ASP 49 5.136 8.995 2.628
340 HA ASP 49 HA ASP 49 7.929 8.534 3.037
341 HB2 ASP 49 HB2 ASP 49 6.911 10.598 3.769
342 HB3 ASP 49 HB3 ASP 49 5.878 9.744 4.898
343 H GLU 50 H GLU 50 5.039 7.156 4.671
344 HA GLU 50 HA GLU 50 6.535 5.677 6.609
345 HB2 GLU 50 HB2 GLU 50 3.675 5.644 5.576
346 HB3 GLU 50 HB3 GLU 50 4.223 4.491 6.781
347 HG2 GLU 50 HG2 GLU 50 4.652 7.461 7.272
348 HG3 GLU 50 HG3 GLU 50 3.075 6.719 7.523
349 H CYS 51 H CYS 51 5.017 5.066 3.441
350 HA CYS 51 HA CYS 51 5.442 2.262 3.466
351 HB2 CYS 51 HB2 CYS 51 3.778 3.116 2.107
352 HB3 CYS 51 HB3 CYS 51 4.838 4.298 1.322
353 H ASN 52 H ASN 52 7.329 4.978 2.026
354 HA ASN 52 HA ASN 52 9.218 3.195 0.915
355 HB2 ASN 52 HB2 ASN 52 10.363 4.941 0.012
356 HB3 ASN 52 HB3 ASN 52 8.746 5.579 0.104
357 HD21 ASN 52 HD21 ASN 52 8.604 7.573 0.953
358 HD22 ASN 52 HD22 ASN 52 9.844 8.434 1.828
359 H ARG 53 H ARG 53 9.352 5.276 3.750
360 HA ARG 53 HA ARG 53 11.804 4.256 4.649
361 HB2 ARG 53 HB2 ARG 53 11.537 5.303 6.685
362 HB3 ARG 53 HB3 ARG 53 10.537 6.247 5.577
363 HG2 ARG 53 HG2 ARG 53 8.562 4.878 6.451
364 HG3 ARG 53 HG3 ARG 53 9.622 4.316 7.742
365 HD2 ARG 53 HD2 ARG 53 9.074 7.261 7.095
366 HD3 ARG 53 HD3 ARG 53 8.180 6.347 8.299
367 HE ARG 53 HE ARG 53 11.035 7.181 8.422
368 HH11 ARG 53 HH11 ARG 53 8.384 5.426 10.056
369 HH12 ARG 53 HH12 ARG 53 9.185 5.408 11.589
370 HH21 ARG 53 HH21 ARG 53 11.914 7.396 10.505
371 HH22 ARG 53 HH22 ARG 53 11.379 6.346 11.775
372 H THR 54 H THR 54 8.701 2.544 4.921
373 HA THR 54 HA THR 54 10.020 0.574 6.662
374 HB THR 54 HB THR 54 7.796 1.483 7.211
375 HG1 THR 54 HG1 THR 54 7.947 -1.307 6.870
376 HG21 THR 54 HG21 THR 54 6.460 -0.561 5.476
377 HG22 THR 54 HG22 THR 54 6.913 0.964 4.702
378 HG23 THR 54 HG23 THR 54 5.853 0.993 6.099
379 H CYS 55 H CYS 55 9.273 0.779 3.193
380 HA CYS 55 HA CYS 55 10.053 -2.091 3.000
381 HB2 CYS 55 HB2 CYS 55 7.871 -0.740 1.381
382 HB3 CYS 55 HB3 CYS 55 8.322 -2.449 1.343
383 H VAL 56 H VAL 56 10.613 1.099 1.833
384 HA VAL 56 HA VAL 56 11.647 0.128 -0.770
385 HB VAL 56 HB VAL 56 11.364 2.893 0.367
386 HG11 VAL 56 HG11 VAL 56 13.305 3.115 -0.952
387 HG12 VAL 56 HG12 VAL 56 12.622 2.089 -2.238
388 HG13 VAL 56 HG13 VAL 56 11.943 3.707 -1.907
389 HG21 VAL 56 HG21 VAL 56 9.293 1.718 -0.515
390 HG22 VAL 56 HG22 VAL 56 9.731 3.132 -1.475
391 HG23 VAL 56 HG23 VAL 56 10.139 1.509 -2.063
392 H GLY 57 H GLY 57 13.036 -1.328 0.200
393 HA2 GLY 57 HA2 GLY 57 15.275 -1.925 0.314
394 HA3 GLY 57 HA3 GLY 57 15.732 -0.239 0.542
Start of MODEL 3
1 H1 ARG 1 H ARG 1 13.112 -4.871 2.544
2 HA ARG 1 HA ARG 1 10.930 -4.189 3.058
3 HB2 ARG 1 HB2 ARG 1 10.369 -6.121 0.801
4 HB3 ARG 1 HB3 ARG 1 9.688 -4.532 1.141
5 HG2 ARG 1 HG2 ARG 1 10.977 -3.842 -0.475
6 HG3 ARG 1 HG3 ARG 1 12.308 -3.843 0.696
7 HD2 ARG 1 HD2 ARG 1 13.039 -6.032 -0.226
8 HD3 ARG 1 HD3 ARG 1 11.576 -6.061 -1.237
9 HE ARG 1 HE ARG 1 13.662 -3.962 -1.450
10 HH11 ARG 1 HH11 ARG 1 11.999 -6.597 -3.105
11 HH12 ARG 1 HH12 ARG 1 12.317 -5.981 -4.703
12 HH21 ARG 1 HH21 ARG 1 14.207 -3.216 -3.507
13 HH22 ARG 1 HH22 ARG 1 13.574 -4.001 -4.917
14 HA PRO 2 HA PRO 2 9.019 -7.387 5.523
15 HB2 PRO 2 HB2 PRO 2 6.853 -6.026 6.445
16 HB3 PRO 2 HB3 PRO 2 8.499 -5.730 7.055
17 HG2 PRO 2 HG2 PRO 2 6.990 -4.169 4.938
18 HG3 PRO 2 HG3 PRO 2 7.909 -3.529 6.331
19 HD2 PRO 2 HD2 PRO 2 9.024 -3.650 3.842
20 HD3 PRO 2 HD3 PRO 2 9.979 -3.998 5.299
21 H ARG 3 H ARG 3 7.402 -8.902 5.251
22 HA ARG 3 HA ARG 3 6.327 -9.112 2.627
23 HB2 ARG 3 HB2 ARG 3 5.442 -11.144 3.217
24 HB3 ARG 3 HB3 ARG 3 6.934 -11.009 4.124
25 HG2 ARG 3 HG2 ARG 3 5.663 -11.876 5.787
26 HG3 ARG 3 HG3 ARG 3 5.249 -10.191 6.070
27 HD2 ARG 3 HD2 ARG 3 3.252 -11.572 6.132
28 HD3 ARG 3 HD3 ARG 3 3.150 -10.523 4.711
29 HE ARG 3 HE ARG 3 4.229 -12.683 3.574
30 HH11 ARG 3 HH11 ARG 3 1.391 -12.678 5.900
31 HH12 ARG 3 HH12 ARG 3 1.117 -14.334 5.521
32 HH21 ARG 3 HH21 ARG 3 3.397 -14.754 2.967
33 HH22 ARG 3 HH22 ARG 3 2.009 -15.362 3.797
34 H PHE 4 H PHE 4 4.944 -7.506 5.429
35 HA PHE 4 HA PHE 4 2.221 -7.787 4.555
36 HB2 PHE 4 HB2 PHE 4 1.660 -6.224 6.163
37 HB3 PHE 4 HB3 PHE 4 3.043 -7.028 6.849
38 HD1 PHE 4 HD2 PHE 4 1.902 -3.948 5.052
39 HD2 PHE 4 HD1 PHE 4 4.945 -5.738 7.501
40 HE1 PHE 4 HE2 PHE 4 2.914 -1.692 5.472
41 HE2 PHE 4 HE1 PHE 4 6.012 -3.504 7.802
42 HZ PHE 4 HZ PHE 4 4.988 -1.488 6.785
43 H CYS 5 H CYS 5 4.914 -5.863 3.405
44 HA CYS 5 HA CYS 5 3.355 -3.834 2.102
45 HB2 CYS 5 HB2 CYS 5 6.005 -4.233 2.983
46 HB3 CYS 5 HB3 CYS 5 6.153 -4.218 1.246
47 H GLU 6 H GLU 6 3.961 -7.120 1.271
48 HA GLU 6 HA GLU 6 3.663 -6.428 -1.607
49 HB2 GLU 6 HB2 GLU 6 4.961 -8.210 -2.245
50 HB3 GLU 6 HB3 GLU 6 5.814 -7.342 -0.975
51 HG2 GLU 6 HG2 GLU 6 4.868 -9.189 0.615
52 HG3 GLU 6 HG3 GLU 6 4.537 -10.093 -0.861
53 H LEU 7 H LEU 7 1.578 -6.890 0.684
54 HA LEU 7 HA LEU 7 0.217 -9.266 -0.316
55 HB2 LEU 7 HB2 LEU 7 -0.837 -7.106 1.544
56 HB3 LEU 7 HB3 LEU 7 -1.539 -8.698 1.247
57 HG LEU 7 HG LEU 7 1.041 -8.044 2.691
58 HD11 LEU 7 HD11 LEU 7 -1.152 -7.871 3.909
59 HD12 LEU 7 HD12 LEU 7 -0.043 -9.071 4.597
60 HD13 LEU 7 HD13 LEU 7 -1.419 -9.591 3.609
61 HD21 LEU 7 HD21 LEU 7 1.308 -10.476 3.116
62 HD22 LEU 7 HD22 LEU 7 1.566 -10.046 1.433
63 HD23 LEU 7 HD23 LEU 7 0.031 -10.811 1.923
64 H ALA 8 H ALA 8 -2.111 -9.009 -0.952
65 HA ALA 8 HA ALA 8 -2.330 -7.015 -3.156
66 HB1 ALA 8 HB1 ALA 8 -4.146 -8.580 -3.894
67 HB2 ALA 8 HB2 ALA 8 -2.511 -9.277 -3.942
68 HB3 ALA 8 HB3 ALA 8 -3.648 -9.707 -2.631
69 HA PRO 9 HA PRO 9 -5.141 -5.426 0.104
70 HB2 PRO 9 HB2 PRO 9 -5.724 -2.979 -0.947
71 HB3 PRO 9 HB3 PRO 9 -4.161 -3.362 -0.157
72 HG2 PRO 9 HG2 PRO 9 -4.796 -3.341 -3.127
73 HG3 PRO 9 HG3 PRO 9 -3.378 -2.638 -2.291
74 HD2 PRO 9 HD2 PRO 9 -3.343 -5.085 -3.511
75 HD3 PRO 9 HD3 PRO 9 -2.338 -4.710 -2.084
76 H SER 10 H SER 10 -6.979 -6.551 0.100
77 HA SER 10 HA SER 10 -8.785 -6.944 -2.077
78 HB2 SER 10 HB2 SER 10 -8.523 -7.664 0.809
79 HB3 SER 10 HB3 SER 10 -10.161 -7.606 0.244
80 HG SER 10 HG SER 10 -8.061 -8.975 -1.095
81 H ALA 11 H ALA 11 -8.734 -4.475 -2.465
82 HA ALA 11 HA ALA 11 -10.432 -2.704 -1.014
83 HB1 ALA 11 HB1 ALA 11 -10.081 -1.232 -2.947
84 HB2 ALA 11 HB2 ALA 11 -8.557 -2.006 -2.482
85 HB3 ALA 11 HB3 ALA 11 -9.458 -2.593 -3.901
86 H GLY 12 H GLY 12 -11.469 -5.374 -2.767
87 HA2 GLY 12 HA2 GLY 12 -13.858 -4.065 -3.968
88 HA3 GLY 12 HA3 GLY 12 -13.331 -5.737 -4.173
89 H SER 13 H SER 13 -13.095 -4.912 -0.952
90 HA SER 13 HA SER 13 -15.028 -6.714 -0.007
91 HB2 SER 13 HB2 SER 13 -14.404 -5.464 2.202
92 HB3 SER 13 HB3 SER 13 -13.165 -6.374 1.331
93 HG SER 13 HG SER 13 -12.151 -4.602 0.757
94 H CYS 14 H CYS 14 -15.066 -3.111 0.232
95 HA CYS 14 HA CYS 14 -18.046 -3.195 0.435
96 HB2 CYS 14 HB2 CYS 14 -16.014 -1.605 2.036
97 HB3 CYS 14 HB3 CYS 14 -17.665 -1.050 1.860
98 H PHE 15 H PHE 15 -18.937 -0.892 -0.005
99 HA PHE 15 HA PHE 15 -17.608 0.075 -2.482
100 HB2 PHE 15 HB2 PHE 15 -20.084 -0.525 -2.432
101 HB3 PHE 15 HB3 PHE 15 -20.326 0.839 -1.348
102 HD1 PHE 15 HD1 PHE 15 -19.320 3.167 -2.195
103 HD2 PHE 15 HD2 PHE 15 -20.183 -0.201 -4.743
104 HE1 PHE 15 HE1 PHE 15 -19.167 4.633 -4.166
105 HE2 PHE 15 HE2 PHE 15 -20.150 1.300 -6.716
106 HZ PHE 15 HZ PHE 15 -19.665 3.702 -6.443
107 H ALA 16 H ALA 16 -15.984 1.488 -1.840
108 HA ALA 16 HA ALA 16 -16.787 3.826 -0.303
109 HB1 ALA 16 HB1 ALA 16 -16.114 2.435 1.543
110 HB2 ALA 16 HB2 ALA 16 -14.662 1.898 0.696
111 HB3 ALA 16 HB3 ALA 16 -14.790 3.579 1.246
112 H PHE 17 H PHE 17 -15.109 5.453 -0.359
113 HA PHE 17 HA PHE 17 -13.085 5.093 -2.507
114 HB2 PHE 17 HB2 PHE 17 -15.167 6.391 -3.216
115 HB3 PHE 17 HB3 PHE 17 -14.645 7.663 -2.140
116 HD1 PHE 17 HD2 PHE 17 -11.462 6.784 -3.091
117 HD2 PHE 17 HD1 PHE 17 -15.125 8.123 -4.960
118 HE1 PHE 17 HE2 PHE 17 -10.177 7.710 -4.943
119 HE2 PHE 17 HE1 PHE 17 -13.787 9.093 -6.820
120 HZ PHE 17 HZ PHE 17 -11.312 8.872 -6.815
121 H VAL 18 H VAL 18 -11.314 4.911 -1.114
122 HA VAL 18 HA VAL 18 -10.691 7.239 0.530
123 HB VAL 18 HB VAL 18 -9.807 5.628 2.324
124 HG11 VAL 18 HG11 VAL 18 -11.847 5.872 3.615
125 HG12 VAL 18 HG12 VAL 18 -11.608 7.312 2.620
126 HG13 VAL 18 HG13 VAL 18 -12.814 6.086 2.148
127 HG21 VAL 18 HG21 VAL 18 -10.340 3.464 1.268
128 HG22 VAL 18 HG22 VAL 18 -11.211 3.653 2.793
129 HG23 VAL 18 HG23 VAL 18 -12.070 3.874 1.253
130 HA PRO 19 HA PRO 19 -7.508 5.819 -2.377
131 HB2 PRO 19 HB2 PRO 19 -6.045 8.119 -2.586
132 HB3 PRO 19 HB3 PRO 19 -7.590 7.872 -3.453
133 HG2 PRO 19 HG2 PRO 19 -7.151 9.302 -0.810
134 HG3 PRO 19 HG3 PRO 19 -8.054 9.890 -2.227
135 HD2 PRO 19 HD2 PRO 19 -9.290 8.699 -0.119
136 HD3 PRO 19 HD3 PRO 19 -9.865 8.403 -1.789
137 H SER 20 H SER 20 -5.803 4.668 -1.679
138 HA SER 20 HA SER 20 -4.268 5.571 0.675
139 HB2 SER 20 HB2 SER 20 -5.657 3.800 1.481
140 HB3 SER 20 HB3 SER 20 -5.192 2.739 0.161
141 HG SER 20 HG SER 20 -3.547 3.642 2.253
142 H TYR 21 H TYR 21 -2.217 3.791 0.560
143 HA TYR 21 HA TYR 21 -0.815 4.447 -2.001
144 HB2 TYR 21 HB2 TYR 21 -0.089 4.723 0.890
145 HB3 TYR 21 HB3 TYR 21 1.134 4.204 -0.219
146 HD1 TYR 21 HD2 TYR 21 2.008 5.969 -2.118
147 HD2 TYR 21 HD1 TYR 21 -1.008 6.931 0.863
148 HE1 TYR 21 HE2 TYR 21 2.142 8.259 -2.760
149 HE2 TYR 21 HE1 TYR 21 -0.690 9.327 0.349
150 HH TYR 21 HH TYR 21 1.719 10.583 -1.943
151 H TYR 22 H TYR 22 0.085 2.810 -3.016
152 HA TYR 22 HA TYR 22 -0.038 0.032 -1.924
153 HB2 TYR 22 HB2 TYR 22 -1.203 0.911 -4.065
154 HB3 TYR 22 HB3 TYR 22 0.363 0.991 -4.807
155 HD1 TYR 22 HD1 TYR 22 1.888 -1.249 -4.754
156 HD2 TYR 22 HD2 TYR 22 -2.416 -1.148 -4.301
157 HE1 TYR 22 HE1 TYR 22 1.860 -3.625 -4.944
158 HE2 TYR 22 HE2 TYR 22 -2.488 -3.553 -4.787
159 HH TYR 22 HH TYR 22 -1.255 -5.495 -5.180
160 H TYR 23 H TYR 23 1.936 -1.166 -1.796
161 HA TYR 23 HA TYR 23 4.411 0.349 -2.591
162 HB2 TYR 23 HB2 TYR 23 4.460 -0.436 -0.314
163 HB3 TYR 23 HB3 TYR 23 4.058 -2.084 -0.815
164 HD1 TYR 23 HD1 TYR 23 6.459 0.652 -1.711
165 HD2 TYR 23 HD2 TYR 23 5.968 -3.496 -0.859
166 HE1 TYR 23 HE1 TYR 23 8.830 0.308 -2.060
167 HE2 TYR 23 HE2 TYR 23 8.421 -3.830 -0.933
168 HH TYR 23 HH TYR 23 10.632 -1.887 -0.979
169 H ASN 24 H ASN 24 5.540 -0.184 -4.424
170 HA ASN 24 HA ASN 24 4.925 -2.799 -5.749
171 HB2 ASN 24 HB2 ASN 24 5.690 -0.101 -6.934
172 HB3 ASN 24 HB3 ASN 24 5.826 -1.625 -7.806
173 HD21 ASN 24 HD21 ASN 24 4.239 0.536 -8.709
174 HD22 ASN 24 HD22 ASN 24 2.564 0.000 -8.691
175 H GLN 25 H GLN 25 6.525 -3.914 -4.498
176 HA GLN 25 HA GLN 25 9.126 -2.973 -4.094
177 HB2 GLN 25 HB2 GLN 25 9.616 -4.975 -3.143
178 HB3 GLN 25 HB3 GLN 25 7.882 -4.899 -2.950
179 HG2 GLN 25 HG2 GLN 25 9.462 -6.625 -4.854
180 HG3 GLN 25 HG3 GLN 25 8.496 -7.135 -3.480
181 HE21 GLN 25 HE21 GLN 25 5.931 -5.945 -3.877
182 HE22 GLN 25 HE22 GLN 25 5.407 -6.146 -5.518
183 H TYR 26 H TYR 26 7.755 -4.404 -6.985
184 HA TYR 26 HA TYR 26 10.025 -5.240 -8.365
185 HB2 TYR 26 HB2 TYR 26 7.594 -3.774 -9.477
186 HB3 TYR 26 HB3 TYR 26 8.746 -4.678 -10.431
187 HD1 TYR 26 HD2 TYR 26 8.831 -7.189 -10.321
188 HD2 TYR 26 HD1 TYR 26 5.805 -4.879 -8.267
189 HE1 TYR 26 HE2 TYR 26 7.401 -9.198 -10.160
190 HE2 TYR 26 HE1 TYR 26 4.398 -6.891 -8.098
191 HH TYR 26 HH TYR 26 4.153 -9.085 -8.619
192 H SER 27 H SER 27 8.842 -1.952 -7.787
193 HA SER 27 HA SER 27 11.061 -0.816 -9.443
194 HB2 SER 27 HB2 SER 27 8.724 -0.479 -10.235
195 HB3 SER 27 HB3 SER 27 8.369 0.400 -8.743
196 HG SER 27 HG SER 27 8.880 1.718 -10.548
197 H ASN 28 H ASN 28 10.541 -1.639 -6.357
198 HA ASN 28 HA ASN 28 10.988 -0.924 -4.326
199 HB2 ASN 28 HB2 ASN 28 13.220 -1.324 -5.449
200 HB3 ASN 28 HB3 ASN 28 13.319 0.404 -5.785
201 HD21 ASN 28 HD21 ASN 28 12.388 -1.514 -2.769
202 HD22 ASN 28 HD22 ASN 28 13.755 -0.802 -1.900
203 H THR 29 H THR 29 8.931 0.538 -5.139
204 HA THR 29 HA THR 29 9.308 3.006 -3.745
205 HB THR 29 HB THR 29 10.107 3.500 -6.098
206 HG1 THR 29 HG1 THR 29 9.418 5.028 -4.563
207 HG21 THR 29 HG21 THR 29 7.146 3.387 -6.813
208 HG22 THR 29 HG22 THR 29 8.416 2.300 -7.426
209 HG23 THR 29 HG23 THR 29 8.447 4.029 -7.806
210 H CYS 30 H CYS 30 6.927 4.285 -4.244
211 HA CYS 30 HA CYS 30 4.865 2.201 -4.059
212 HB2 CYS 30 HB2 CYS 30 4.747 4.551 -2.268
213 HB3 CYS 30 HB3 CYS 30 4.269 2.883 -1.984
214 H HIS 31 H HIS 31 2.695 3.236 -4.402
215 HA HIS 31 HA HIS 31 2.644 5.868 -5.599
216 HB2 HIS 31 HB2 HIS 31 3.312 3.944 -7.347
217 HB3 HIS 31 HB3 HIS 31 1.597 3.568 -7.286
218 HD1 HIS 31 HD1 HIS 31 1.031 4.492 -9.771
219 HD2 HIS 31 HD2 HIS 31 3.210 7.090 -7.269
220 HE1 HIS 31 HE1 HIS 31 1.013 6.725 -10.919
221 H SER 32 H SER 32 0.507 6.775 -5.447
222 HA SER 32 HA SER 32 -1.198 5.548 -3.571
223 HB2 SER 32 HB2 SER 32 -2.756 7.407 -4.328
224 HB3 SER 32 HB3 SER 32 -1.228 7.835 -3.547
225 HG SER 32 HG SER 32 -1.636 9.084 -5.421
226 H PHE 33 H PHE 33 -3.094 4.489 -3.748
227 HA PHE 33 HA PHE 33 -4.171 3.708 -6.387
228 HB2 PHE 33 HB2 PHE 33 -4.161 1.443 -6.043
229 HB3 PHE 33 HB3 PHE 33 -2.582 1.910 -5.471
230 HD1 PHE 33 HD2 PHE 33 -2.465 2.274 -2.791
231 HD2 PHE 33 HD1 PHE 33 -5.503 -0.022 -4.782
232 HE1 PHE 33 HE2 PHE 33 -2.956 1.071 -0.662
233 HE2 PHE 33 HE1 PHE 33 -6.059 -1.128 -2.671
234 HZ PHE 33 HZ PHE 33 -4.783 -0.576 -0.561
235 H THR 34 H THR 34 -6.359 2.253 -5.682
236 HA THR 34 HA THR 34 -7.901 4.143 -3.923
237 HB THR 34 HB THR 34 -9.878 3.083 -5.106
238 HG1 THR 34 HG1 THR 34 -9.371 1.519 -6.301
239 HG21 THR 34 HG21 THR 34 -7.990 4.712 -6.835
240 HG22 THR 34 HG22 THR 34 -9.090 5.373 -5.605
241 HG23 THR 34 HG23 THR 34 -9.742 4.555 -7.033
242 H TYR 35 H TYR 35 -8.677 3.408 -1.932
243 HA TYR 35 HA TYR 35 -8.673 0.489 -1.509
244 HB2 TYR 35 HB2 TYR 35 -6.890 1.624 -0.362
245 HB3 TYR 35 HB3 TYR 35 -8.005 2.654 0.485
246 HD1 TYR 35 HD1 TYR 35 -7.139 -0.989 -0.048
247 HD2 TYR 35 HD2 TYR 35 -8.610 2.049 2.660
248 HE1 TYR 35 HE1 TYR 35 -7.091 -2.605 1.807
249 HE2 TYR 35 HE2 TYR 35 -8.597 0.424 4.502
250 HH TYR 35 HH TYR 35 -8.754 -2.292 4.599
251 H SER 36 H SER 36 -10.068 0.109 0.688
252 HA SER 36 HA SER 36 -12.516 1.667 0.897
253 HB2 SER 36 HB2 SER 36 -12.405 -1.254 0.009
254 HB3 SER 36 HB3 SER 36 -13.819 -0.547 0.835
255 HG SER 36 HG SER 36 -12.616 0.654 -1.432
256 H GLY 37 H GLY 37 -13.075 1.660 3.125
257 HA2 GLY 37 HA2 GLY 37 -11.204 1.048 5.036
258 HA3 GLY 37 HA3 GLY 37 -12.928 1.250 5.334
259 H CYS 38 H CYS 38 -13.914 -1.051 4.006
260 HA CYS 38 HA CYS 38 -13.558 -3.062 6.043
261 HB2 CYS 38 HB2 CYS 38 -14.759 -3.329 3.271
262 HB3 CYS 38 HB3 CYS 38 -15.096 -4.365 4.645
263 H GLY 39 H GLY 39 -13.285 -5.430 5.266
264 HA2 GLY 39 HA2 GLY 39 -11.712 -7.037 4.855
265 HA3 GLY 39 HA3 GLY 39 -12.036 -6.550 3.180
266 H GLY 40 H GLY 40 -10.390 -5.898 1.997
267 HA2 GLY 40 HA2 GLY 40 -8.341 -5.127 1.379
268 HA3 GLY 40 HA3 GLY 40 -8.330 -4.211 2.877
269 H ASN 41 H ASN 41 -6.018 -4.863 2.242
270 HA ASN 41 HA ASN 41 -5.225 -6.999 4.092
271 HB2 ASN 41 HB2 ASN 41 -3.947 -6.773 1.316
272 HB3 ASN 41 HB3 ASN 41 -3.360 -7.730 2.633
273 HD21 ASN 41 HD21 ASN 41 -3.953 -9.881 2.683
274 HD22 ASN 41 HD22 ASN 41 -5.374 -10.492 1.850
275 H ALA 42 H ALA 42 -2.965 -6.746 4.746
276 HA ALA 42 HA ALA 42 -2.490 -4.230 5.727
277 HB1 ALA 42 HB1 ALA 42 -1.582 -6.337 6.623
278 HB2 ALA 42 HB2 ALA 42 -0.379 -6.341 5.302
279 HB3 ALA 42 HB3 ALA 42 -0.377 -5.036 6.505
280 H ASN 43 H ASN 43 -1.846 -4.987 2.421
281 HA ASN 43 HA ASN 43 0.476 -3.340 2.044
282 HB2 ASN 43 HB2 ASN 43 -0.268 -5.058 0.463
283 HB3 ASN 43 HB3 ASN 43 -1.721 -4.110 0.095
284 HD21 ASN 43 HD21 ASN 43 -1.462 -3.040 -1.879
285 HD22 ASN 43 HD22 ASN 43 0.081 -2.633 -2.549
286 H ARG 44 H ARG 44 -2.566 -2.352 3.109
287 HA ARG 44 HA ARG 44 -2.666 0.186 1.581
288 HB2 ARG 44 HB2 ARG 44 -4.807 -0.537 2.056
289 HB3 ARG 44 HB3 ARG 44 -4.397 -1.206 3.623
290 HG2 ARG 44 HG2 ARG 44 -4.161 1.783 3.385
291 HG3 ARG 44 HG3 ARG 44 -5.769 1.147 3.234
292 HD2 ARG 44 HD2 ARG 44 -3.845 0.813 5.563
293 HD3 ARG 44 HD3 ARG 44 -5.263 1.867 5.478
294 HE ARG 44 HE ARG 44 -5.867 -0.875 4.884
295 HH11 ARG 44 HH11 ARG 44 -5.411 1.435 7.576
296 HH12 ARG 44 HH12 ARG 44 -6.398 0.543 8.690
297 HH21 ARG 44 HH21 ARG 44 -7.159 -2.131 6.517
298 HH22 ARG 44 HH22 ARG 44 -7.318 -1.467 8.099
299 H PHE 45 H PHE 45 -1.868 2.021 2.312
300 HA PHE 45 HA PHE 45 -0.756 2.272 5.078
301 HB2 PHE 45 HB2 PHE 45 0.658 3.508 2.729
302 HB3 PHE 45 HB3 PHE 45 1.306 3.143 4.307
303 HD1 PHE 45 HD1 PHE 45 0.869 0.257 4.716
304 HD2 PHE 45 HD2 PHE 45 1.763 2.417 1.094
305 HE1 PHE 45 HE1 PHE 45 1.684 -1.832 3.648
306 HE2 PHE 45 HE2 PHE 45 2.584 0.386 0.082
307 HZ PHE 45 HZ PHE 45 2.586 -1.777 1.327
308 H ARG 46 H ARG 46 0.012 4.783 5.187
309 HA ARG 46 HA ARG 46 -2.308 6.425 4.205
310 HB2 ARG 46 HB2 ARG 46 -1.866 7.859 6.274
311 HB3 ARG 46 HB3 ARG 46 -2.733 6.347 6.421
312 HG2 ARG 46 HG2 ARG 46 -1.111 6.782 8.252
313 HG3 ARG 46 HG3 ARG 46 -0.938 5.235 7.450
314 HD2 ARG 46 HD2 ARG 46 1.229 6.139 7.939
315 HD3 ARG 46 HD3 ARG 46 1.049 6.124 6.209
316 HE ARG 46 HE ARG 46 0.737 8.492 6.164
317 HH11 ARG 46 HH11 ARG 46 1.788 7.251 9.360
318 HH12 ARG 46 HH12 ARG 46 2.457 8.779 9.819
319 HH21 ARG 46 HH21 ARG 46 1.368 10.546 6.975
320 HH22 ARG 46 HH22 ARG 46 2.239 10.643 8.463
321 H THR 47 H THR 47 1.102 6.130 3.941
322 HA THR 47 HA THR 47 1.131 8.468 2.308
323 HB THR 47 HB THR 47 1.366 9.475 4.619
324 HG1 THR 47 HG1 THR 47 3.278 10.682 3.970
325 HG21 THR 47 HG21 THR 47 4.152 8.343 4.542
326 HG22 THR 47 HG22 THR 47 2.900 7.488 5.406
327 HG23 THR 47 HG23 THR 47 3.375 9.154 5.870
328 H ILE 48 H ILE 48 3.067 8.724 1.129
329 HA ILE 48 HA ILE 48 4.286 6.271 0.576
330 HB ILE 48 HB ILE 48 4.000 7.641 -1.268
331 HG12 ILE 48 HG12 ILE 48 6.992 7.562 -0.689
332 HG13 ILE 48 HG13 ILE 48 6.026 6.259 -1.255
333 HG21 ILE 48 HG21 ILE 48 5.010 9.902 -1.537
334 HG22 ILE 48 HG22 ILE 48 3.949 9.878 -0.143
335 HG23 ILE 48 HG23 ILE 48 5.706 9.797 0.089
336 HD11 ILE 48 HD11 ILE 48 6.607 8.793 -2.785
337 HD12 ILE 48 HD12 ILE 48 7.074 7.125 -3.176
338 HD13 ILE 48 HD13 ILE 48 5.370 7.608 -3.276
339 H ASP 49 H ASP 49 5.010 8.974 2.637
340 HA ASP 49 HA ASP 49 7.770 8.724 3.057
341 HB2 ASP 49 HB2 ASP 49 6.265 9.301 5.530
342 HB3 ASP 49 HB3 ASP 49 7.618 10.125 4.813
343 H GLU 50 H GLU 50 5.060 7.002 4.626
344 HA GLU 50 HA GLU 50 6.815 5.527 6.418
345 HB2 GLU 50 HB2 GLU 50 3.847 5.255 5.815
346 HB3 GLU 50 HB3 GLU 50 4.724 4.257 6.973
347 HG2 GLU 50 HG2 GLU 50 4.393 7.275 7.147
348 HG3 GLU 50 HG3 GLU 50 3.518 6.070 8.087
349 H CYS 51 H CYS 51 4.921 4.842 3.425
350 HA CYS 51 HA CYS 51 5.592 2.111 3.368
351 HB2 CYS 51 HB2 CYS 51 4.662 2.080 1.174
352 HB3 CYS 51 HB3 CYS 51 3.885 3.485 1.958
353 H ASN 52 H ASN 52 7.425 4.921 2.181
354 HA ASN 52 HA ASN 52 9.341 3.228 0.902
355 HB2 ASN 52 HB2 ASN 52 10.349 5.052 -0.004
356 HB3 ASN 52 HB3 ASN 52 8.672 5.574 0.143
357 HD21 ASN 52 HD21 ASN 52 8.325 7.465 1.090
358 HD22 ASN 52 HD22 ASN 52 9.531 8.455 1.880
359 H ARG 53 H ARG 53 9.607 5.380 3.710
360 HA ARG 53 HA ARG 53 12.058 4.455 4.572
361 HB2 ARG 53 HB2 ARG 53 11.674 5.471 6.649
362 HB3 ARG 53 HB3 ARG 53 10.588 6.331 5.538
363 HG2 ARG 53 HG2 ARG 53 8.775 4.740 6.301
364 HG3 ARG 53 HG3 ARG 53 9.839 4.211 7.594
365 HD2 ARG 53 HD2 ARG 53 8.897 7.085 7.125
366 HD3 ARG 53 HD3 ARG 53 8.205 5.931 8.282
367 HE ARG 53 HE ARG 53 11.013 6.173 8.691
368 HH11 ARG 53 HH11 ARG 53 7.853 7.626 9.553
369 HH12 ARG 53 HH12 ARG 53 8.543 8.497 10.902
370 HH21 ARG 53 HH21 ARG 53 11.846 7.364 10.340
371 HH22 ARG 53 HH22 ARG 53 10.864 8.114 11.547
372 H THR 54 H THR 54 9.037 2.650 4.930
373 HA THR 54 HA THR 54 10.360 0.676 6.645
374 HB THR 54 HB THR 54 8.056 1.806 6.959
375 HG1 THR 54 HG1 THR 54 8.844 0.231 8.284
376 HG21 THR 54 HG21 THR 54 6.181 0.952 5.948
377 HG22 THR 54 HG22 THR 54 6.949 -0.598 5.526
378 HG23 THR 54 HG23 THR 54 7.289 0.862 4.573
379 H CYS 55 H CYS 55 9.544 0.859 3.145
380 HA CYS 55 HA CYS 55 10.312 -2.008 2.978
381 HB2 CYS 55 HB2 CYS 55 8.197 -0.671 1.253
382 HB3 CYS 55 HB3 CYS 55 8.601 -2.376 1.348
383 H VAL 56 H VAL 56 10.854 1.193 1.821
384 HA VAL 56 HA VAL 56 11.913 0.239 -0.774
385 HB VAL 56 HB VAL 56 11.579 3.010 0.341
386 HG11 VAL 56 HG11 VAL 56 12.070 3.771 -1.979
387 HG12 VAL 56 HG12 VAL 56 13.480 3.214 -1.084
388 HG13 VAL 56 HG13 VAL 56 12.734 2.157 -2.321
389 HG21 VAL 56 HG21 VAL 56 9.872 3.216 -1.399
390 HG22 VAL 56 HG22 VAL 56 10.373 1.685 -2.102
391 HG23 VAL 56 HG23 VAL 56 9.525 1.720 -0.524
392 H GLY 57 H GLY 57 13.600 -1.100 -0.049
393 HA2 GLY 57 HA2 GLY 57 15.997 -1.117 -0.090
394 HA3 GLY 57 HA3 GLY 57 16.019 0.497 0.613
Start of MODEL 4
1 H1 ARG 1 H ARG 1 12.623 -5.569 3.378
2 HA ARG 1 HA ARG 1 10.661 -4.266 2.815
3 HB2 ARG 1 HB2 ARG 1 9.407 -4.810 0.803
4 HB3 ARG 1 HB3 ARG 1 10.992 -4.135 0.527
5 HG2 ARG 1 HG2 ARG 1 11.188 -7.033 0.318
6 HG3 ARG 1 HG3 ARG 1 9.863 -6.404 -0.652
7 HD2 ARG 1 HD2 ARG 1 11.492 -6.124 -2.213
8 HD3 ARG 1 HD3 ARG 1 11.614 -4.588 -1.460
9 HE ARG 1 HE ARG 1 13.750 -5.078 -0.820
10 HH11 ARG 1 HH11 ARG 1 12.102 -8.115 -1.649
11 HH12 ARG 1 HH12 ARG 1 13.563 -9.060 -1.706
12 HH21 ARG 1 HH21 ARG 1 15.684 -6.268 -0.955
13 HH22 ARG 1 HH22 ARG 1 15.667 -7.935 -1.424
14 HA PRO 2 HA PRO 2 9.061 -7.683 5.154
15 HB2 PRO 2 HB2 PRO 2 6.882 -6.496 6.246
16 HB3 PRO 2 HB3 PRO 2 8.543 -6.092 6.742
17 HG2 PRO 2 HG2 PRO 2 6.763 -4.614 4.817
18 HG3 PRO 2 HG3 PRO 2 7.760 -3.927 6.135
19 HD2 PRO 2 HD2 PRO 2 8.581 -3.996 3.512
20 HD3 PRO 2 HD3 PRO 2 9.732 -4.155 4.882
21 H ARG 3 H ARG 3 7.670 -9.298 4.772
22 HA ARG 3 HA ARG 3 6.371 -9.544 2.336
23 HB2 ARG 3 HB2 ARG 3 5.977 -11.719 2.813
24 HB3 ARG 3 HB3 ARG 3 7.371 -11.353 3.814
25 HG2 ARG 3 HG2 ARG 3 4.489 -11.760 4.677
26 HG3 ARG 3 HG3 ARG 3 5.891 -12.756 5.055
27 HD2 ARG 3 HD2 ARG 3 6.847 -10.927 6.399
28 HD3 ARG 3 HD3 ARG 3 5.447 -9.902 6.027
29 HE ARG 3 HE ARG 3 4.479 -12.310 7.119
30 HH11 ARG 3 HH11 ARG 3 6.468 -9.531 8.185
31 HH12 ARG 3 HH12 ARG 3 5.916 -9.602 9.827
32 HH21 ARG 3 HH21 ARG 3 3.847 -12.431 9.364
33 HH22 ARG 3 HH22 ARG 3 4.538 -11.336 10.516
34 H PHE 4 H PHE 4 5.079 -7.706 4.765
35 HA PHE 4 HA PHE 4 2.266 -8.444 4.120
36 HB2 PHE 4 HB2 PHE 4 1.602 -7.245 5.962
37 HB3 PHE 4 HB3 PHE 4 3.073 -8.012 6.516
38 HD1 PHE 4 HD2 PHE 4 1.555 -4.859 5.321
39 HD2 PHE 4 HD1 PHE 4 4.947 -6.648 7.242
40 HE1 PHE 4 HE2 PHE 4 2.386 -2.606 5.887
41 HE2 PHE 4 HE1 PHE 4 5.868 -4.385 7.712
42 HZ PHE 4 HZ PHE 4 4.607 -2.369 7.067
43 H CYS 5 H CYS 5 4.779 -6.119 3.303
44 HA CYS 5 HA CYS 5 3.030 -4.061 2.342
45 HB2 CYS 5 HB2 CYS 5 5.529 -4.138 3.174
46 HB3 CYS 5 HB3 CYS 5 5.912 -4.519 1.501
47 H GLU 6 H GLU 6 4.115 -7.080 1.114
48 HA GLU 6 HA GLU 6 3.743 -6.342 -1.731
49 HB2 GLU 6 HB2 GLU 6 4.867 -8.409 -2.228
50 HB3 GLU 6 HB3 GLU 6 5.786 -7.425 -1.094
51 HG2 GLU 6 HG2 GLU 6 4.839 -8.838 0.766
52 HG3 GLU 6 HG3 GLU 6 4.126 -9.905 -0.438
53 H LEU 7 H LEU 7 1.372 -6.792 0.294
54 HA LEU 7 HA LEU 7 0.166 -9.213 -0.906
55 HB2 LEU 7 HB2 LEU 7 -0.910 -7.304 1.162
56 HB3 LEU 7 HB3 LEU 7 -1.654 -8.832 0.666
57 HG LEU 7 HG LEU 7 0.979 -8.443 2.146
58 HD11 LEU 7 HD11 LEU 7 -1.155 -8.125 3.418
59 HD12 LEU 7 HD12 LEU 7 -0.172 -9.487 3.994
60 HD13 LEU 7 HD13 LEU 7 -1.614 -9.785 2.999
61 HD21 LEU 7 HD21 LEU 7 -0.314 -11.040 1.263
62 HD22 LEU 7 HD22 LEU 7 1.041 -10.881 2.414
63 HD23 LEU 7 HD23 LEU 7 1.268 -10.392 0.733
64 H ALA 8 H ALA 8 -2.231 -8.867 -1.455
65 HA ALA 8 HA ALA 8 -2.343 -6.784 -3.574
66 HB1 ALA 8 HB1 ALA 8 -4.125 -8.129 -4.542
67 HB2 ALA 8 HB2 ALA 8 -2.679 -9.123 -4.281
68 HB3 ALA 8 HB3 ALA 8 -4.064 -9.251 -3.171
69 HA PRO 9 HA PRO 9 -5.068 -4.852 -0.552
70 HB2 PRO 9 HB2 PRO 9 -5.891 -2.662 -1.977
71 HB3 PRO 9 HB3 PRO 9 -4.301 -2.808 -1.182
72 HG2 PRO 9 HG2 PRO 9 -4.970 -3.316 -4.098
73 HG3 PRO 9 HG3 PRO 9 -3.588 -2.399 -3.418
74 HD2 PRO 9 HD2 PRO 9 -3.361 -4.971 -4.236
75 HD3 PRO 9 HD3 PRO 9 -2.426 -4.342 -2.843
76 H SER 10 H SER 10 -6.793 -6.225 -0.329
77 HA SER 10 HA SER 10 -8.688 -6.778 -2.389
78 HB2 SER 10 HB2 SER 10 -7.983 -8.323 -0.541
79 HB3 SER 10 HB3 SER 10 -8.913 -7.345 0.597
80 HG SER 10 HG SER 10 -9.986 -9.252 -0.317
81 H ALA 11 H ALA 11 -8.841 -4.214 -2.599
82 HA ALA 11 HA ALA 11 -10.617 -2.800 -0.827
83 HB1 ALA 11 HB1 ALA 11 -10.478 -1.042 -2.548
84 HB2 ALA 11 HB2 ALA 11 -8.867 -1.719 -2.221
85 HB3 ALA 11 HB3 ALA 11 -9.757 -2.195 -3.685
86 H GLY 12 H GLY 12 -11.409 -5.173 -3.248
87 HA2 GLY 12 HA2 GLY 12 -13.874 -3.933 -4.163
88 HA3 GLY 12 HA3 GLY 12 -13.318 -5.592 -4.413
89 H SER 13 H SER 13 -12.972 -5.606 -1.304
90 HA SER 13 HA SER 13 -15.196 -7.144 -0.670
91 HB2 SER 13 HB2 SER 13 -12.795 -6.599 0.474
92 HB3 SER 13 HB3 SER 13 -13.842 -5.636 1.530
93 HG SER 13 HG SER 13 -13.691 -8.402 1.082
94 H CYS 14 H CYS 14 -14.844 -3.601 -0.309
95 HA CYS 14 HA CYS 14 -17.706 -3.405 0.455
96 HB2 CYS 14 HB2 CYS 14 -15.271 -2.472 1.996
97 HB3 CYS 14 HB3 CYS 14 -16.626 -1.367 1.865
98 H PHE 15 H PHE 15 -18.456 -1.119 0.161
99 HA PHE 15 HA PHE 15 -16.933 0.220 -2.034
100 HB2 PHE 15 HB2 PHE 15 -18.928 -0.557 -3.007
101 HB3 PHE 15 HB3 PHE 15 -19.880 -0.161 -1.580
102 HD1 PHE 15 HD2 PHE 15 -17.420 1.939 -3.564
103 HD2 PHE 15 HD1 PHE 15 -21.463 1.420 -2.169
104 HE1 PHE 15 HE2 PHE 15 -17.970 4.212 -4.323
105 HE2 PHE 15 HE1 PHE 15 -22.054 3.641 -3.019
106 HZ PHE 15 HZ PHE 15 -20.315 5.072 -4.112
107 H ALA 16 H ALA 16 -15.857 1.747 -1.150
108 HA ALA 16 HA ALA 16 -17.060 3.908 0.343
109 HB1 ALA 16 HB1 ALA 16 -16.239 2.366 2.144
110 HB2 ALA 16 HB2 ALA 16 -14.637 2.346 1.359
111 HB3 ALA 16 HB3 ALA 16 -15.265 3.844 2.045
112 H PHE 17 H PHE 17 -15.166 5.657 0.392
113 HA PHE 17 HA PHE 17 -13.336 5.244 -1.914
114 HB2 PHE 17 HB2 PHE 17 -15.412 6.525 -2.567
115 HB3 PHE 17 HB3 PHE 17 -14.912 7.779 -1.423
116 HD1 PHE 17 HD2 PHE 17 -13.236 5.633 -4.055
117 HD2 PHE 17 HD1 PHE 17 -13.952 9.630 -2.591
118 HE1 PHE 17 HE2 PHE 17 -11.645 6.511 -5.710
119 HE2 PHE 17 HE1 PHE 17 -12.431 10.523 -4.338
120 HZ PHE 17 HZ PHE 17 -11.214 8.967 -5.842
121 H VAL 18 H VAL 18 -11.487 4.985 -0.746
122 HA VAL 18 HA VAL 18 -10.589 7.312 0.802
123 HB VAL 18 HB VAL 18 -9.527 5.601 2.415
124 HG11 VAL 18 HG11 VAL 18 -12.494 6.273 2.520
125 HG12 VAL 18 HG12 VAL 18 -11.493 5.760 3.900
126 HG13 VAL 18 HG13 VAL 18 -11.121 7.274 3.069
127 HG21 VAL 18 HG21 VAL 18 -10.865 3.619 2.949
128 HG22 VAL 18 HG22 VAL 18 -11.949 3.929 1.580
129 HG23 VAL 18 HG23 VAL 18 -10.246 3.501 1.305
130 HA PRO 19 HA PRO 19 -7.520 6.020 -2.279
131 HB2 PRO 19 HB2 PRO 19 -6.069 8.342 -2.416
132 HB3 PRO 19 HB3 PRO 19 -7.599 8.108 -3.297
133 HG2 PRO 19 HG2 PRO 19 -7.153 9.535 -0.701
134 HG3 PRO 19 HG3 PRO 19 -8.162 10.039 -2.079
135 HD2 PRO 19 HD2 PRO 19 -9.187 8.829 0.176
136 HD3 PRO 19 HD3 PRO 19 -9.911 8.582 -1.446
137 H SER 20 H SER 20 -5.864 4.799 -1.512
138 HA SER 20 HA SER 20 -4.358 5.783 0.781
139 HB2 SER 20 HB2 SER 20 -5.478 3.030 0.557
140 HB3 SER 20 HB3 SER 20 -4.293 3.544 1.766
141 HG SER 20 HG SER 20 -5.916 5.146 2.389
142 H TYR 21 H TYR 21 -2.264 3.823 0.758
143 HA TYR 21 HA TYR 21 -1.063 4.412 -1.925
144 HB2 TYR 21 HB2 TYR 21 -0.143 4.773 0.882
145 HB3 TYR 21 HB3 TYR 21 1.002 4.247 -0.264
146 HD1 TYR 21 HD1 TYR 21 -1.346 6.914 0.680
147 HD2 TYR 21 HD2 TYR 21 1.896 5.985 -2.076
148 HE1 TYR 21 HE1 TYR 21 -1.040 9.310 0.164
149 HE2 TYR 21 HE2 TYR 21 2.049 8.286 -2.715
150 HH TYR 21 HH TYR 21 1.558 10.577 -1.883
151 H TYR 22 H TYR 22 -0.043 2.926 -3.084
152 HA TYR 22 HA TYR 22 -0.017 0.086 -2.313
153 HB2 TYR 22 HB2 TYR 22 -1.072 1.268 -4.498
154 HB3 TYR 22 HB3 TYR 22 0.546 1.307 -5.045
155 HD1 TYR 22 HD1 TYR 22 1.952 -0.862 -5.151
156 HD2 TYR 22 HD2 TYR 22 -2.338 -0.806 -4.722
157 HE1 TYR 22 HE1 TYR 22 1.905 -3.213 -5.770
158 HE2 TYR 22 HE2 TYR 22 -2.417 -3.164 -5.548
159 HH TYR 22 HH TYR 22 0.520 -4.935 -6.604
160 H TYR 23 H TYR 23 1.969 -0.999 -2.109
161 HA TYR 23 HA TYR 23 4.448 0.555 -2.644
162 HB2 TYR 23 HB2 TYR 23 4.225 -0.610 -0.510
163 HB3 TYR 23 HB3 TYR 23 3.854 -2.099 -1.356
164 HD1 TYR 23 HD1 TYR 23 6.711 0.371 -1.578
165 HD2 TYR 23 HD2 TYR 23 5.376 -3.709 -1.241
166 HE1 TYR 23 HE1 TYR 23 9.045 -0.374 -1.415
167 HE2 TYR 23 HE2 TYR 23 7.709 -4.450 -0.950
168 HH TYR 23 HH TYR 23 10.551 -2.285 -1.246
169 H ASN 24 H ASN 24 5.883 0.037 -4.421
170 HA ASN 24 HA ASN 24 5.261 -2.515 -5.851
171 HB2 ASN 24 HB2 ASN 24 5.809 0.183 -7.082
172 HB3 ASN 24 HB3 ASN 24 6.044 -1.333 -7.941
173 HD21 ASN 24 HD21 ASN 24 3.831 1.057 -7.598
174 HD22 ASN 24 HD22 ASN 24 2.371 0.153 -8.005
175 H GLN 25 H GLN 25 6.831 -3.592 -4.619
176 HA GLN 25 HA GLN 25 9.441 -2.682 -4.222
177 HB2 GLN 25 HB2 GLN 25 9.986 -4.799 -3.487
178 HB3 GLN 25 HB3 GLN 25 8.282 -4.638 -3.122
179 HG2 GLN 25 HG2 GLN 25 9.535 -6.336 -5.257
180 HG3 GLN 25 HG3 GLN 25 8.691 -6.848 -3.811
181 HE21 GLN 25 HE21 GLN 25 6.147 -5.458 -3.890
182 HE22 GLN 25 HE22 GLN 25 5.455 -5.672 -5.472
183 H TYR 26 H TYR 26 8.003 -4.137 -7.140
184 HA TYR 26 HA TYR 26 10.263 -4.903 -8.564
185 HB2 TYR 26 HB2 TYR 26 7.863 -3.353 -9.617
186 HB3 TYR 26 HB3 TYR 26 8.971 -4.323 -10.583
187 HD1 TYR 26 HD2 TYR 26 9.170 -6.886 -9.812
188 HD2 TYR 26 HD1 TYR 26 5.792 -4.298 -9.071
189 HE1 TYR 26 HE2 TYR 26 7.711 -8.872 -9.503
190 HE2 TYR 26 HE1 TYR 26 4.345 -6.262 -8.785
191 HH TYR 26 HH TYR 26 4.244 -8.531 -8.636
192 H SER 27 H SER 27 8.994 -1.641 -7.946
193 HA SER 27 HA SER 27 11.241 -0.425 -9.447
194 HB2 SER 27 HB2 SER 27 8.833 -0.092 -10.209
195 HB3 SER 27 HB3 SER 27 8.577 0.837 -8.726
196 HG SER 27 HG SER 27 9.102 2.108 -10.549
197 H ASN 28 H ASN 28 10.741 -1.300 -6.364
198 HA ASN 28 HA ASN 28 11.293 -0.582 -4.328
199 HB2 ASN 28 HB2 ASN 28 13.487 -0.773 -5.504
200 HB3 ASN 28 HB3 ASN 28 13.378 0.900 -6.020
201 HD21 ASN 28 HD21 ASN 28 13.455 -1.033 -2.945
202 HD22 ASN 28 HD22 ASN 28 14.647 -0.019 -2.206
203 H THR 29 H THR 29 9.116 0.964 -5.396
204 HA THR 29 HA THR 29 9.401 3.330 -3.717
205 HB THR 29 HB THR 29 10.175 4.087 -5.940
206 HG1 THR 29 HG1 THR 29 8.292 5.725 -6.106
207 HG21 THR 29 HG21 THR 29 8.599 4.322 -7.802
208 HG22 THR 29 HG22 THR 29 7.355 3.448 -6.881
209 HG23 THR 29 HG23 THR 29 8.841 2.623 -7.392
210 H CYS 30 H CYS 30 6.882 4.537 -4.201
211 HA CYS 30 HA CYS 30 4.910 2.398 -4.000
212 HB2 CYS 30 HB2 CYS 30 4.803 4.551 -1.935
213 HB3 CYS 30 HB3 CYS 30 4.300 2.868 -1.927
214 H HIS 31 H HIS 31 2.724 3.315 -4.429
215 HA HIS 31 HA HIS 31 2.669 6.062 -5.448
216 HB2 HIS 31 HB2 HIS 31 3.322 4.160 -7.141
217 HB3 HIS 31 HB3 HIS 31 1.650 3.637 -7.000
218 HD1 HIS 31 HD1 HIS 31 0.649 4.457 -9.312
219 HD2 HIS 31 HD2 HIS 31 3.087 7.218 -7.258
220 HE1 HIS 31 HE1 HIS 31 0.566 6.589 -10.680
221 H SER 32 H SER 32 0.549 7.029 -5.242
222 HA SER 32 HA SER 32 -1.229 5.726 -3.436
223 HB2 SER 32 HB2 SER 32 -2.758 7.639 -4.032
224 HB3 SER 32 HB3 SER 32 -1.188 8.050 -3.341
225 HG SER 32 HG SER 32 -2.004 9.227 -5.244
226 H PHE 33 H PHE 33 -3.221 4.747 -3.731
227 HA PHE 33 HA PHE 33 -4.301 4.299 -6.388
228 HB2 PHE 33 HB2 PHE 33 -4.176 2.013 -6.488
229 HB3 PHE 33 HB3 PHE 33 -2.579 2.440 -5.864
230 HD1 PHE 33 HD2 PHE 33 -2.326 2.449 -3.336
231 HD2 PHE 33 HD1 PHE 33 -5.578 0.442 -5.272
232 HE1 PHE 33 HE2 PHE 33 -2.423 0.767 -1.480
233 HE2 PHE 33 HE1 PHE 33 -6.010 -0.826 -3.219
234 HZ PHE 33 HZ PHE 33 -4.401 -0.552 -1.215
235 H THR 34 H THR 34 -6.308 2.655 -5.825
236 HA THR 34 HA THR 34 -7.937 4.254 -3.892
237 HB THR 34 HB THR 34 -9.854 3.053 -4.954
238 HG1 THR 34 HG1 THR 34 -9.390 1.391 -6.047
239 HG21 THR 34 HG21 THR 34 -9.111 5.275 -5.769
240 HG22 THR 34 HG22 THR 34 -9.908 4.292 -7.004
241 HG23 THR 34 HG23 THR 34 -8.145 4.461 -7.019
242 H TYR 35 H TYR 35 -8.682 3.529 -1.915
243 HA TYR 35 HA TYR 35 -8.646 0.569 -1.505
244 HB2 TYR 35 HB2 TYR 35 -6.881 1.901 -0.350
245 HB3 TYR 35 HB3 TYR 35 -8.115 2.511 0.723
246 HD1 TYR 35 HD1 TYR 35 -6.431 -0.638 -0.524
247 HD2 TYR 35 HD2 TYR 35 -8.745 1.176 2.625
248 HE1 TYR 35 HE1 TYR 35 -5.808 -2.483 0.981
249 HE2 TYR 35 HE2 TYR 35 -8.254 -0.732 4.094
250 HH TYR 35 HH TYR 35 -5.621 -2.971 3.482
251 H SER 36 H SER 36 -10.076 0.164 0.748
252 HA SER 36 HA SER 36 -12.537 1.748 0.578
253 HB2 SER 36 HB2 SER 36 -12.605 -0.212 -1.051
254 HB3 SER 36 HB3 SER 36 -12.593 -1.283 0.370
255 HG SER 36 HG SER 36 -14.673 -0.657 -0.534
256 H GLY 37 H GLY 37 -14.109 0.673 2.300
257 HA2 GLY 37 HA2 GLY 37 -12.893 1.113 4.858
258 HA3 GLY 37 HA3 GLY 37 -14.560 0.636 4.541
259 H CYS 38 H CYS 38 -14.934 -1.758 4.066
260 HA CYS 38 HA CYS 38 -13.373 -3.293 6.011
261 HB2 CYS 38 HB2 CYS 38 -14.981 -4.927 5.914
262 HB3 CYS 38 HB3 CYS 38 -15.891 -3.435 5.816
263 H GLY 39 H GLY 39 -12.828 -5.622 5.394
264 HA2 GLY 39 HA2 GLY 39 -11.604 -7.119 4.169
265 HA3 GLY 39 HA3 GLY 39 -12.101 -6.281 2.691
266 H GLY 40 H GLY 40 -10.319 -5.708 1.564
267 HA2 GLY 40 HA2 GLY 40 -8.326 -4.675 1.051
268 HA3 GLY 40 HA3 GLY 40 -8.425 -3.879 2.627
269 H ASN 41 H ASN 41 -5.879 -4.634 1.904
270 HA ASN 41 HA ASN 41 -5.326 -6.967 3.671
271 HB2 ASN 41 HB2 ASN 41 -4.146 -6.548 0.893
272 HB3 ASN 41 HB3 ASN 41 -3.276 -7.380 2.136
273 HD21 ASN 41 HD21 ASN 41 -6.819 -7.961 2.179
274 HD22 ASN 41 HD22 ASN 41 -6.656 -9.491 1.333
275 H ALA 42 H ALA 42 -3.020 -6.981 4.343
276 HA ALA 42 HA ALA 42 -2.414 -4.630 5.739
277 HB1 ALA 42 HB1 ALA 42 -1.683 -6.968 6.332
278 HB2 ALA 42 HB2 ALA 42 -0.436 -6.835 5.046
279 HB3 ALA 42 HB3 ALA 42 -0.406 -5.746 6.438
280 H ASN 43 H ASN 43 -1.627 -5.303 2.364
281 HA ASN 43 HA ASN 43 0.809 -3.780 2.311
282 HB2 ASN 43 HB2 ASN 43 0.771 -4.168 0.059
283 HB3 ASN 43 HB3 ASN 43 -0.264 -5.438 0.572
284 HD21 ASN 43 HD21 ASN 43 -0.003 -2.702 -1.454
285 HD22 ASN 43 HD22 ASN 43 -1.669 -2.741 -1.999
286 H ARG 44 H ARG 44 -2.352 -2.657 2.993
287 HA ARG 44 HA ARG 44 -2.332 -0.216 1.543
288 HB2 ARG 44 HB2 ARG 44 -4.263 -1.418 2.702
289 HB3 ARG 44 HB3 ARG 44 -3.592 -0.937 4.248
290 HG2 ARG 44 HG2 ARG 44 -3.784 1.523 3.020
291 HG3 ARG 44 HG3 ARG 44 -5.107 0.641 2.259
292 HD2 ARG 44 HD2 ARG 44 -5.938 0.091 4.564
293 HD3 ARG 44 HD3 ARG 44 -4.678 1.158 5.209
294 HE ARG 44 HE ARG 44 -6.050 2.512 3.129
295 HH11 ARG 44 HH11 ARG 44 -6.677 1.316 6.397
296 HH12 ARG 44 HH12 ARG 44 -7.805 2.542 6.847
297 HH21 ARG 44 HH21 ARG 44 -7.463 4.169 3.621
298 HH22 ARG 44 HH22 ARG 44 -8.375 4.218 5.111
299 H PHE 45 H PHE 45 -1.580 1.765 2.016
300 HA PHE 45 HA PHE 45 -0.391 2.355 4.662
301 HB2 PHE 45 HB2 PHE 45 0.910 2.614 1.948
302 HB3 PHE 45 HB3 PHE 45 1.323 3.744 3.235
303 HD1 PHE 45 HD1 PHE 45 2.121 2.936 5.473
304 HD2 PHE 45 HD2 PHE 45 1.675 0.285 2.094
305 HE1 PHE 45 HE1 PHE 45 3.399 1.200 6.664
306 HE2 PHE 45 HE2 PHE 45 2.993 -1.440 3.287
307 HZ PHE 45 HZ PHE 45 3.902 -0.952 5.543
308 H ARG 46 H ARG 46 -0.194 4.668 5.029
309 HA ARG 46 HA ARG 46 -2.494 6.105 3.838
310 HB2 ARG 46 HB2 ARG 46 -2.054 7.654 5.869
311 HB3 ARG 46 HB3 ARG 46 -2.932 6.152 6.041
312 HG2 ARG 46 HG2 ARG 46 -1.436 6.536 7.923
313 HG3 ARG 46 HG3 ARG 46 -1.066 5.044 7.084
314 HD2 ARG 46 HD2 ARG 46 0.968 6.187 7.774
315 HD3 ARG 46 HD3 ARG 46 0.899 6.079 6.030
316 HE ARG 46 HE ARG 46 0.480 8.413 5.849
317 HH11 ARG 46 HH11 ARG 46 1.289 7.430 9.217
318 HH12 ARG 46 HH12 ARG 46 1.882 9.002 9.581
319 HH21 ARG 46 HH21 ARG 46 0.866 10.548 6.565
320 HH22 ARG 46 HH22 ARG 46 1.603 10.815 8.079
321 H THR 47 H THR 47 0.985 6.007 3.724
322 HA THR 47 HA THR 47 0.957 8.163 1.919
323 HB THR 47 HB THR 47 1.038 9.391 4.140
324 HG1 THR 47 HG1 THR 47 1.912 10.669 2.680
325 HG21 THR 47 HG21 THR 47 3.006 9.285 5.510
326 HG22 THR 47 HG22 THR 47 3.886 8.371 4.302
327 HG23 THR 47 HG23 THR 47 2.628 7.562 5.189
328 H ILE 48 H ILE 48 3.023 8.454 0.884
329 HA ILE 48 HA ILE 48 4.380 5.952 0.447
330 HB ILE 48 HB ILE 48 4.116 7.380 -1.415
331 HG12 ILE 48 HG12 ILE 48 7.058 7.489 -0.558
332 HG13 ILE 48 HG13 ILE 48 6.237 6.109 -1.237
333 HG21 ILE 48 HG21 ILE 48 3.810 9.581 -0.312
334 HG22 ILE 48 HG22 ILE 48 5.547 9.629 0.068
335 HG23 ILE 48 HG23 ILE 48 4.979 9.682 -1.604
336 HD11 ILE 48 HD11 ILE 48 7.420 7.185 -3.043
337 HD12 ILE 48 HD12 ILE 48 5.690 7.471 -3.285
338 HD13 ILE 48 HD13 ILE 48 6.727 8.758 -2.638
339 H ASP 49 H ASP 49 4.896 8.824 2.486
340 HA ASP 49 HA ASP 49 7.659 8.488 2.953
341 HB2 ASP 49 HB2 ASP 49 6.231 10.489 3.581
342 HB3 ASP 49 HB3 ASP 49 5.734 9.566 5.012
343 H GLU 50 H GLU 50 4.850 6.898 4.400
344 HA GLU 50 HA GLU 50 6.467 5.566 6.436
345 HB2 GLU 50 HB2 GLU 50 4.090 6.278 6.850
346 HB3 GLU 50 HB3 GLU 50 3.572 5.089 5.653
347 HG2 GLU 50 HG2 GLU 50 3.366 4.206 7.954
348 HG3 GLU 50 HG3 GLU 50 4.517 3.256 7.016
349 H CYS 51 H CYS 51 4.715 4.804 3.381
350 HA CYS 51 HA CYS 51 5.201 2.064 3.374
351 HB2 CYS 51 HB2 CYS 51 3.702 2.916 1.760
352 HB3 CYS 51 HB3 CYS 51 4.889 4.072 1.137
353 H ASN 52 H ASN 52 7.242 4.745 2.150
354 HA ASN 52 HA ASN 52 9.181 2.967 1.065
355 HB2 ASN 52 HB2 ASN 52 10.353 4.745 0.288
356 HB3 ASN 52 HB3 ASN 52 8.707 5.359 0.337
357 HD21 ASN 52 HD21 ASN 52 8.460 7.291 1.158
358 HD22 ASN 52 HD22 ASN 52 9.663 8.185 2.062
359 H ARG 53 H ARG 53 9.273 5.054 3.934
360 HA ARG 53 HA ARG 53 11.635 3.997 4.911
361 HB2 ARG 53 HB2 ARG 53 11.259 5.073 6.924
362 HB3 ARG 53 HB3 ARG 53 10.241 5.929 5.739
363 HG2 ARG 53 HG2 ARG 53 8.300 4.602 6.569
364 HG3 ARG 53 HG3 ARG 53 9.282 3.922 7.844
365 HD2 ARG 53 HD2 ARG 53 7.685 5.944 8.320
366 HD3 ARG 53 HD3 ARG 53 9.262 5.923 9.072
367 HE ARG 53 HE ARG 53 8.345 7.571 6.799
368 HH11 ARG 53 HH11 ARG 53 11.129 6.641 8.825
369 HH12 ARG 53 HH12 ARG 53 12.172 7.746 8.015
370 HH21 ARG 53 HH21 ARG 53 9.781 9.098 5.846
371 HH22 ARG 53 HH22 ARG 53 11.356 9.311 6.509
372 H THR 54 H THR 54 8.505 2.385 5.162
373 HA THR 54 HA THR 54 9.682 0.359 6.954
374 HB THR 54 HB THR 54 7.404 1.578 7.155
375 HG1 THR 54 HG1 THR 54 8.093 -0.239 8.421
376 HG21 THR 54 HG21 THR 54 6.772 0.751 4.716
377 HG22 THR 54 HG22 THR 54 5.585 0.800 6.010
378 HG23 THR 54 HG23 THR 54 6.343 -0.752 5.550
379 H CYS 55 H CYS 55 9.235 0.705 3.452
380 HA CYS 55 HA CYS 55 9.737 -2.224 3.251
381 HB2 CYS 55 HB2 CYS 55 8.018 -0.673 1.304
382 HB3 CYS 55 HB3 CYS 55 8.274 -2.417 1.405
383 H VAL 56 H VAL 56 10.207 0.926 1.594
384 HA VAL 56 HA VAL 56 11.782 -0.109 -0.552
385 HB VAL 56 HB VAL 56 11.427 2.647 0.641
386 HG11 VAL 56 HG11 VAL 56 12.867 2.007 -1.934
387 HG12 VAL 56 HG12 VAL 56 12.406 3.615 -1.335
388 HG13 VAL 56 HG13 VAL 56 13.610 2.672 -0.458
389 HG21 VAL 56 HG21 VAL 56 10.096 3.004 -1.437
390 HG22 VAL 56 HG22 VAL 56 10.454 1.358 -1.960
391 HG23 VAL 56 HG23 VAL 56 9.446 1.634 -0.534
392 H GLY 57 H GLY 57 13.278 -1.507 0.152
393 HA2 GLY 57 HA2 GLY 57 15.231 -0.705 2.242
394 HA3 GLY 57 HA3 GLY 57 15.062 -2.300 1.516
Start of MODEL 5
1 H1 ARG 1 H ARG 1 13.147 -5.016 2.341
2 HA ARG 1 HA ARG 1 10.879 -4.415 2.801
3 HB2 ARG 1 HB2 ARG 1 10.348 -6.428 0.660
4 HB3 ARG 1 HB3 ARG 1 9.933 -4.714 0.749
5 HG2 ARG 1 HG2 ARG 1 12.104 -4.062 -0.046
6 HG3 ARG 1 HG3 ARG 1 12.804 -5.645 0.253
7 HD2 ARG 1 HD2 ARG 1 11.752 -6.689 -1.498
8 HD3 ARG 1 HD3 ARG 1 10.630 -5.338 -1.803
9 HE ARG 1 HE ARG 1 13.360 -4.472 -1.923
10 HH11 ARG 1 HH11 ARG 1 11.348 -6.699 -3.787
11 HH12 ARG 1 HH12 ARG 1 12.175 -6.352 -5.283
12 HH21 ARG 1 HH21 ARG 1 14.222 -3.802 -3.878
13 HH22 ARG 1 HH22 ARG 1 13.624 -4.467 -5.375
14 HA PRO 2 HA PRO 2 9.122 -7.730 5.288
15 HB2 PRO 2 HB2 PRO 2 6.957 -6.500 6.318
16 HB3 PRO 2 HB3 PRO 2 8.612 -6.086 6.845
17 HG2 PRO 2 HG2 PRO 2 6.860 -4.664 4.859
18 HG3 PRO 2 HG3 PRO 2 7.862 -3.937 6.154
19 HD2 PRO 2 HD2 PRO 2 8.716 -4.085 3.534
20 HD3 PRO 2 HD3 PRO 2 9.846 -4.212 4.918
21 H ARG 3 H ARG 3 7.760 -9.348 4.821
22 HA ARG 3 HA ARG 3 6.414 -9.420 2.378
23 HB2 ARG 3 HB2 ARG 3 6.008 -11.629 2.705
24 HB3 ARG 3 HB3 ARG 3 7.453 -11.314 3.643
25 HG2 ARG 3 HG2 ARG 3 4.628 -11.778 4.633
26 HG3 ARG 3 HG3 ARG 3 6.035 -12.800 4.875
27 HD2 ARG 3 HD2 ARG 3 7.051 -11.134 6.350
28 HD3 ARG 3 HD3 ARG 3 5.682 -10.031 6.082
29 HE ARG 3 HE ARG 3 4.544 -12.415 6.918
30 HH11 ARG 3 HH11 ARG 3 6.925 -10.173 8.400
31 HH12 ARG 3 HH12 ARG 3 6.567 -10.741 10.009
32 HH21 ARG 3 HH21 ARG 3 3.995 -12.927 9.038
33 HH22 ARG 3 HH22 ARG 3 4.751 -12.145 10.394
34 H PHE 4 H PHE 4 5.137 -7.768 4.969
35 HA PHE 4 HA PHE 4 2.330 -8.532 4.364
36 HB2 PHE 4 HB2 PHE 4 1.716 -7.153 6.159
37 HB3 PHE 4 HB3 PHE 4 3.008 -8.205 6.709
38 HD1 PHE 4 HD2 PHE 4 2.352 -4.735 5.419
39 HD2 PHE 4 HD1 PHE 4 4.808 -7.282 7.881
40 HE1 PHE 4 HE2 PHE 4 3.800 -2.779 6.039
41 HE2 PHE 4 HE1 PHE 4 6.148 -5.312 8.596
42 HZ PHE 4 HZ PHE 4 5.671 -3.067 7.632
43 H CYS 5 H CYS 5 4.763 -6.231 3.417
44 HA CYS 5 HA CYS 5 2.966 -4.127 2.540
45 HB2 CYS 5 HB2 CYS 5 5.372 -4.146 3.469
46 HB3 CYS 5 HB3 CYS 5 5.898 -4.678 1.876
47 H GLU 6 H GLU 6 4.300 -7.084 1.241
48 HA GLU 6 HA GLU 6 3.793 -6.243 -1.546
49 HB2 GLU 6 HB2 GLU 6 4.958 -8.278 -2.167
50 HB3 GLU 6 HB3 GLU 6 5.874 -7.289 -1.033
51 HG2 GLU 6 HG2 GLU 6 5.023 -8.800 0.825
52 HG3 GLU 6 HG3 GLU 6 4.370 -9.865 -0.424
53 H LEU 7 H LEU 7 1.641 -6.993 0.622
54 HA LEU 7 HA LEU 7 0.267 -9.243 -0.626
55 HB2 LEU 7 HB2 LEU 7 -0.734 -7.250 1.444
56 HB3 LEU 7 HB3 LEU 7 -1.524 -8.763 0.980
57 HG LEU 7 HG LEU 7 1.123 -8.463 2.420
58 HD11 LEU 7 HD11 LEU 7 -1.490 -9.759 3.296
59 HD12 LEU 7 HD12 LEU 7 -0.994 -8.114 3.718
60 HD13 LEU 7 HD13 LEU 7 -0.036 -9.489 4.280
61 HD21 LEU 7 HD21 LEU 7 -0.203 -11.037 1.544
62 HD22 LEU 7 HD22 LEU 7 1.154 -10.890 2.684
63 HD23 LEU 7 HD23 LEU 7 1.386 -10.397 1.019
64 H ALA 8 H ALA 8 -2.100 -8.935 -1.203
65 HA ALA 8 HA ALA 8 -2.299 -6.735 -3.190
66 HB1 ALA 8 HB1 ALA 8 -3.779 -9.355 -2.962
67 HB2 ALA 8 HB2 ALA 8 -4.067 -8.114 -4.198
68 HB3 ALA 8 HB3 ALA 8 -2.503 -8.951 -4.134
69 HA PRO 9 HA PRO 9 -5.218 -5.233 -0.054
70 HB2 PRO 9 HB2 PRO 9 -5.699 -2.736 -1.031
71 HB3 PRO 9 HB3 PRO 9 -4.161 -3.180 -0.231
72 HG2 PRO 9 HG2 PRO 9 -4.737 -2.928 -3.177
73 HG3 PRO 9 HG3 PRO 9 -3.272 -2.445 -2.271
74 HD2 PRO 9 HD2 PRO 9 -3.609 -4.831 -3.729
75 HD3 PRO 9 HD3 PRO 9 -2.391 -4.587 -2.444
76 H SER 10 H SER 10 -6.965 -6.486 -0.337
77 HA SER 10 HA SER 10 -8.531 -6.706 -2.700
78 HB2 SER 10 HB2 SER 10 -8.254 -8.520 -0.993
79 HB3 SER 10 HB3 SER 10 -9.240 -7.574 0.115
80 HG SER 10 HG SER 10 -10.015 -8.723 -2.382
81 H ALA 11 H ALA 11 -8.759 -4.381 -2.967
82 HA ALA 11 HA ALA 11 -10.465 -2.765 -1.370
83 HB1 ALA 11 HB1 ALA 11 -8.711 -1.891 -2.892
84 HB2 ALA 11 HB2 ALA 11 -9.664 -2.452 -4.287
85 HB3 ALA 11 HB3 ALA 11 -10.302 -1.177 -3.225
86 H GLY 12 H GLY 12 -11.355 -5.443 -2.985
87 HA2 GLY 12 HA2 GLY 12 -13.836 -4.456 -4.297
88 HA3 GLY 12 HA3 GLY 12 -13.176 -6.096 -4.331
89 H SER 13 H SER 13 -12.800 -5.592 -1.243
90 HA SER 13 HA SER 13 -14.732 -7.206 -0.216
91 HB2 SER 13 HB2 SER 13 -13.372 -4.860 1.162
92 HB3 SER 13 HB3 SER 13 -14.155 -6.230 1.969
93 HG SER 13 HG SER 13 -11.806 -6.262 0.333
94 H CYS 14 H CYS 14 -15.043 -3.566 -0.310
95 HA CYS 14 HA CYS 14 -17.958 -3.837 -0.267
96 HB2 CYS 14 HB2 CYS 14 -16.630 -1.842 1.586
97 HB3 CYS 14 HB3 CYS 14 -18.313 -2.327 1.512
98 H PHE 15 H PHE 15 -18.922 -1.751 -0.973
99 HA PHE 15 HA PHE 15 -17.079 -0.401 -2.855
100 HB2 PHE 15 HB2 PHE 15 -19.282 -1.122 -3.643
101 HB3 PHE 15 HB3 PHE 15 -20.067 -0.220 -2.386
102 HD1 PHE 15 HD1 PHE 15 -19.356 2.559 -2.449
103 HD2 PHE 15 HD2 PHE 15 -19.436 -0.221 -5.762
104 HE1 PHE 15 HE1 PHE 15 -19.551 4.409 -4.007
105 HE2 PHE 15 HE2 PHE 15 -19.887 1.639 -7.282
106 HZ PHE 15 HZ PHE 15 -19.897 3.973 -6.438
107 H ALA 16 H ALA 16 -15.840 1.036 -1.888
108 HA ALA 16 HA ALA 16 -16.932 3.272 -0.479
109 HB1 ALA 16 HB1 ALA 16 -14.952 1.377 0.843
110 HB2 ALA 16 HB2 ALA 16 -15.244 3.054 1.373
111 HB3 ALA 16 HB3 ALA 16 -16.547 1.850 1.442
112 H PHE 17 H PHE 17 -15.368 5.017 -0.658
113 HA PHE 17 HA PHE 17 -13.055 4.422 -2.434
114 HB2 PHE 17 HB2 PHE 17 -14.934 5.141 -3.772
115 HB3 PHE 17 HB3 PHE 17 -15.083 6.618 -2.811
116 HD1 PHE 17 HD2 PHE 17 -11.570 5.694 -3.490
117 HD2 PHE 17 HD1 PHE 17 -15.056 7.676 -5.131
118 HE1 PHE 17 HE2 PHE 17 -10.138 7.044 -4.946
119 HE2 PHE 17 HE1 PHE 17 -13.570 8.902 -6.702
120 HZ PHE 17 HZ PHE 17 -11.110 8.590 -6.582
121 H VAL 18 H VAL 18 -11.410 4.748 -1.086
122 HA VAL 18 HA VAL 18 -11.049 7.449 0.004
123 HB VAL 18 HB VAL 18 -10.091 6.408 2.102
124 HG11 VAL 18 HG11 VAL 18 -12.242 6.395 3.213
125 HG12 VAL 18 HG12 VAL 18 -12.296 7.615 1.921
126 HG13 VAL 18 HG13 VAL 18 -13.096 6.049 1.700
127 HG21 VAL 18 HG21 VAL 18 -10.013 4.022 1.433
128 HG22 VAL 18 HG22 VAL 18 -11.086 4.240 2.830
129 HG23 VAL 18 HG23 VAL 18 -11.766 4.028 1.197
130 HA PRO 19 HA PRO 19 -7.468 6.191 -2.409
131 HB2 PRO 19 HB2 PRO 19 -5.980 8.497 -2.327
132 HB3 PRO 19 HB3 PRO 19 -7.397 8.260 -3.389
133 HG2 PRO 19 HG2 PRO 19 -7.296 9.659 -0.706
134 HG3 PRO 19 HG3 PRO 19 -8.078 10.205 -2.212
135 HD2 PRO 19 HD2 PRO 19 -9.436 8.959 -0.179
136 HD3 PRO 19 HD3 PRO 19 -9.891 8.728 -1.895
137 H SER 20 H SER 20 -5.878 4.950 -1.605
138 HA SER 20 HA SER 20 -4.576 5.692 0.966
139 HB2 SER 20 HB2 SER 20 -6.298 3.900 1.086
140 HB3 SER 20 HB3 SER 20 -5.231 2.925 0.071
141 HG SER 20 HG SER 20 -3.970 3.917 2.317
142 H TYR 21 H TYR 21 -2.438 3.832 0.914
143 HA TYR 21 HA TYR 21 -1.008 4.521 -1.607
144 HB2 TYR 21 HB2 TYR 21 -0.321 4.808 1.258
145 HB3 TYR 21 HB3 TYR 21 0.900 4.192 0.225
146 HD1 TYR 21 HD2 TYR 21 1.978 5.811 -1.684
147 HD2 TYR 21 HD1 TYR 21 -1.181 7.059 1.072
148 HE1 TYR 21 HE2 TYR 21 2.346 8.089 -2.293
149 HE2 TYR 21 HE1 TYR 21 -0.700 9.366 0.525
150 HH TYR 21 HH TYR 21 1.104 10.796 -0.420
151 H TYR 22 H TYR 22 0.042 2.964 -2.642
152 HA TYR 22 HA TYR 22 -0.145 0.129 -1.783
153 HB2 TYR 22 HB2 TYR 22 -1.353 1.214 -3.904
154 HB3 TYR 22 HB3 TYR 22 0.223 1.185 -4.596
155 HD1 TYR 22 HD1 TYR 22 1.544 -1.043 -4.692
156 HD2 TYR 22 HD2 TYR 22 -2.705 -0.706 -4.147
157 HE1 TYR 22 HE1 TYR 22 1.313 -3.383 -5.357
158 HE2 TYR 22 HE2 TYR 22 -3.004 -2.965 -5.046
159 HH TYR 22 HH TYR 22 -1.933 -4.615 -6.236
160 H TYR 23 H TYR 23 1.730 -0.976 -1.742
161 HA TYR 23 HA TYR 23 4.298 0.406 -2.287
162 HB2 TYR 23 HB2 TYR 23 4.109 -0.867 -0.254
163 HB3 TYR 23 HB3 TYR 23 3.595 -2.297 -1.137
164 HD1 TYR 23 HD1 TYR 23 6.500 0.130 -1.416
165 HD2 TYR 23 HD2 TYR 23 5.197 -3.978 -1.243
166 HE1 TYR 23 HE1 TYR 23 8.822 -0.593 -1.448
167 HE2 TYR 23 HE2 TYR 23 7.562 -4.720 -1.278
168 HH TYR 23 HH TYR 23 10.190 -2.742 -0.853
169 H ASN 24 H ASN 24 5.515 0.139 -4.164
170 HA ASN 24 HA ASN 24 4.812 -2.130 -5.985
171 HB2 ASN 24 HB2 ASN 24 5.823 0.655 -6.624
172 HB3 ASN 24 HB3 ASN 24 5.810 -0.681 -7.760
173 HD21 ASN 24 HD21 ASN 24 3.892 -1.186 -8.847
174 HD22 ASN 24 HD22 ASN 24 2.350 -0.429 -8.522
175 H GLN 25 H GLN 25 6.322 -3.539 -4.935
176 HA GLN 25 HA GLN 25 9.047 -2.923 -4.488
177 HB2 GLN 25 HB2 GLN 25 9.440 -5.260 -4.267
178 HB3 GLN 25 HB3 GLN 25 7.901 -4.901 -3.536
179 HG2 GLN 25 HG2 GLN 25 8.388 -6.317 -6.168
180 HG3 GLN 25 HG3 GLN 25 7.706 -6.992 -4.693
181 HE21 GLN 25 HE21 GLN 25 5.609 -5.498 -3.894
182 HE22 GLN 25 HE22 GLN 25 4.531 -5.159 -5.266
183 H TYR 26 H TYR 26 7.371 -4.037 -7.503
184 HA TYR 26 HA TYR 26 9.668 -4.547 -9.022
185 HB2 TYR 26 HB2 TYR 26 7.026 -3.391 -9.979
186 HB3 TYR 26 HB3 TYR 26 8.252 -4.117 -11.004
187 HD1 TYR 26 HD2 TYR 26 8.995 -6.646 -9.848
188 HD2 TYR 26 HD1 TYR 26 5.122 -4.732 -9.903
189 HE1 TYR 26 HE2 TYR 26 7.900 -8.838 -9.487
190 HE2 TYR 26 HE1 TYR 26 4.040 -6.892 -9.484
191 HH TYR 26 HH TYR 26 4.397 -9.047 -8.774
192 H SER 27 H SER 27 8.365 -1.540 -7.955
193 HA SER 27 HA SER 27 10.204 -0.018 -9.792
194 HB2 SER 27 HB2 SER 27 7.745 0.273 -10.094
195 HB3 SER 27 HB3 SER 27 7.631 0.847 -8.433
196 HG SER 27 HG SER 27 9.213 2.134 -10.444
197 H ASN 28 H ASN 28 10.162 -1.246 -6.740
198 HA ASN 28 HA ASN 28 10.889 -0.721 -4.696
199 HB2 ASN 28 HB2 ASN 28 12.937 -1.179 -5.995
200 HB3 ASN 28 HB3 ASN 28 13.140 0.560 -6.264
201 HD21 ASN 28 HD21 ASN 28 12.383 -1.552 -3.346
202 HD22 ASN 28 HD22 ASN 28 13.761 -0.906 -2.468
203 H THR 29 H THR 29 8.854 0.928 -5.264
204 HA THR 29 HA THR 29 9.414 3.148 -3.575
205 HB THR 29 HB THR 29 10.158 4.025 -5.802
206 HG1 THR 29 HG1 THR 29 8.890 5.969 -5.454
207 HG21 THR 29 HG21 THR 29 7.193 4.116 -6.495
208 HG22 THR 29 HG22 THR 29 8.354 2.983 -7.220
209 HG23 THR 29 HG23 THR 29 8.560 4.728 -7.444
210 H CYS 30 H CYS 30 6.918 4.510 -3.995
211 HA CYS 30 HA CYS 30 4.917 2.365 -3.840
212 HB2 CYS 30 HB2 CYS 30 4.868 4.493 -1.743
213 HB3 CYS 30 HB3 CYS 30 4.378 2.804 -1.760
214 H HIS 31 H HIS 31 2.730 3.279 -4.150
215 HA HIS 31 HA HIS 31 2.673 6.070 -5.100
216 HB2 HIS 31 HB2 HIS 31 3.251 4.340 -6.970
217 HB3 HIS 31 HB3 HIS 31 1.595 3.768 -6.785
218 HD1 HIS 31 HD1 HIS 31 0.230 4.878 -8.751
219 HD2 HIS 31 HD2 HIS 31 3.139 7.316 -6.935
220 HE1 HIS 31 HE1 HIS 31 0.073 7.137 -9.930
221 H SER 32 H SER 32 0.554 7.008 -5.069
222 HA SER 32 HA SER 32 -1.175 5.789 -3.126
223 HB2 SER 32 HB2 SER 32 -2.646 7.719 -3.593
224 HB3 SER 32 HB3 SER 32 -0.976 8.163 -3.202
225 HG SER 32 HG SER 32 -1.043 9.233 -4.991
226 H PHE 33 H PHE 33 -3.229 4.890 -3.436
227 HA PHE 33 HA PHE 33 -4.209 4.365 -6.150
228 HB2 PHE 33 HB2 PHE 33 -4.175 2.076 -6.113
229 HB3 PHE 33 HB3 PHE 33 -2.602 2.466 -5.444
230 HD1 PHE 33 HD2 PHE 33 -2.587 2.610 -2.729
231 HD2 PHE 33 HD1 PHE 33 -5.430 0.415 -5.106
232 HE1 PHE 33 HE2 PHE 33 -3.239 1.297 -0.755
233 HE2 PHE 33 HE1 PHE 33 -6.088 -0.890 -3.117
234 HZ PHE 33 HZ PHE 33 -5.012 -0.368 -0.897
235 H THR 34 H THR 34 -6.359 2.839 -5.716
236 HA THR 34 HA THR 34 -7.973 4.506 -3.852
237 HB THR 34 HB THR 34 -9.883 3.490 -5.139
238 HG1 THR 34 HG1 THR 34 -9.307 1.811 -6.219
239 HG21 THR 34 HG21 THR 34 -9.660 4.992 -6.965
240 HG22 THR 34 HG22 THR 34 -7.890 4.860 -6.982
241 HG23 THR 34 HG23 THR 34 -8.682 5.705 -5.659
242 H TYR 35 H TYR 35 -8.851 3.669 -1.934
243 HA TYR 35 HA TYR 35 -8.726 0.747 -1.630
244 HB2 TYR 35 HB2 TYR 35 -6.889 1.699 -0.523
245 HB3 TYR 35 HB3 TYR 35 -7.930 2.821 0.345
246 HD1 TYR 35 HD1 TYR 35 -7.038 -0.929 0.096
247 HD2 TYR 35 HD2 TYR 35 -8.774 2.317 2.449
248 HE1 TYR 35 HE1 TYR 35 -6.998 -2.303 2.083
249 HE2 TYR 35 HE2 TYR 35 -8.724 0.840 4.434
250 HH TYR 35 HH TYR 35 -8.370 -2.419 4.372
251 H SER 36 H SER 36 -10.232 0.057 0.312
252 HA SER 36 HA SER 36 -12.810 1.468 0.019
253 HB2 SER 36 HB2 SER 36 -12.641 -1.231 1.312
254 HB3 SER 36 HB3 SER 36 -13.904 -0.535 0.296
255 HG SER 36 HG SER 36 -12.895 -1.287 -1.409
256 H GLY 37 H GLY 37 -11.227 -0.403 2.722
257 HA2 GLY 37 HA2 GLY 37 -10.795 1.085 4.771
258 HA3 GLY 37 HA3 GLY 37 -12.499 1.486 4.651
259 H CYS 38 H CYS 38 -13.819 -0.795 4.146
260 HA CYS 38 HA CYS 38 -13.860 -2.178 6.625
261 HB2 CYS 38 HB2 CYS 38 -15.627 -3.419 5.640
262 HB3 CYS 38 HB3 CYS 38 -15.764 -1.797 4.963
263 H GLY 39 H GLY 39 -12.238 -2.947 3.592
264 HA2 GLY 39 HA2 GLY 39 -11.276 -5.519 4.703
265 HA3 GLY 39 HA3 GLY 39 -11.943 -5.431 3.080
266 H GLY 40 H GLY 40 -9.930 -6.250 2.337
267 HA2 GLY 40 HA2 GLY 40 -8.178 -5.615 1.001
268 HA3 GLY 40 HA3 GLY 40 -7.869 -4.164 1.970
269 H ASN 41 H ASN 41 -5.612 -5.252 1.804
270 HA ASN 41 HA ASN 41 -5.208 -7.109 4.113
271 HB2 ASN 41 HB2 ASN 41 -3.839 -7.197 1.391
272 HB3 ASN 41 HB3 ASN 41 -3.215 -7.986 2.818
273 HD21 ASN 41 HD21 ASN 41 -6.659 -8.310 3.014
274 HD22 ASN 41 HD22 ASN 41 -6.675 -9.905 2.307
275 H ALA 42 H ALA 42 -2.782 -7.014 4.733
276 HA ALA 42 HA ALA 42 -2.253 -4.584 5.820
277 HB1 ALA 42 HB1 ALA 42 -0.202 -6.708 5.182
278 HB2 ALA 42 HB2 ALA 42 -0.142 -5.505 6.481
279 HB3 ALA 42 HB3 ALA 42 -1.376 -6.786 6.520
280 H ASN 43 H ASN 43 -1.656 -5.183 2.447
281 HA ASN 43 HA ASN 43 0.645 -3.506 2.160
282 HB2 ASN 43 HB2 ASN 43 -0.058 -4.958 0.345
283 HB3 ASN 43 HB3 ASN 43 -1.582 -4.077 0.166
284 HD21 ASN 43 HD21 ASN 43 -0.998 -3.680 -2.183
285 HD22 ASN 43 HD22 ASN 43 0.305 -2.641 -2.561
286 H ARG 44 H ARG 44 -2.593 -2.713 3.171
287 HA ARG 44 HA ARG 44 -2.820 -0.168 2.047
288 HB2 ARG 44 HB2 ARG 44 -4.630 -1.533 3.188
289 HB3 ARG 44 HB3 ARG 44 -3.879 -1.212 4.757
290 HG2 ARG 44 HG2 ARG 44 -4.129 1.270 3.307
291 HG3 ARG 44 HG3 ARG 44 -5.661 0.390 3.247
292 HD2 ARG 44 HD2 ARG 44 -5.734 0.449 5.667
293 HD3 ARG 44 HD3 ARG 44 -4.248 1.446 5.661
294 HE ARG 44 HE ARG 44 -5.688 2.641 3.751
295 HH11 ARG 44 HH11 ARG 44 -7.074 1.298 6.738
296 HH12 ARG 44 HH12 ARG 44 -8.142 2.608 7.054
297 HH21 ARG 44 HH21 ARG 44 -7.000 4.608 4.334
298 HH22 ARG 44 HH22 ARG 44 -8.326 4.357 5.440
299 H PHE 45 H PHE 45 -1.706 1.637 2.394
300 HA PHE 45 HA PHE 45 -0.674 2.253 5.092
301 HB2 PHE 45 HB2 PHE 45 0.947 1.971 2.619
302 HB3 PHE 45 HB3 PHE 45 1.276 3.397 3.564
303 HD1 PHE 45 HD2 PHE 45 0.839 -0.322 3.960
304 HD2 PHE 45 HD1 PHE 45 2.695 3.265 5.471
305 HE1 PHE 45 HE2 PHE 45 1.953 -1.643 5.671
306 HE2 PHE 45 HE1 PHE 45 3.872 1.909 7.192
307 HZ PHE 45 HZ PHE 45 3.508 -0.535 7.313
308 H ARG 46 H ARG 46 0.079 4.664 5.053
309 HA ARG 46 HA ARG 46 -2.176 6.229 3.869
310 HB2 ARG 46 HB2 ARG 46 -1.763 7.719 5.947
311 HB3 ARG 46 HB3 ARG 46 -2.686 6.247 6.067
312 HG2 ARG 46 HG2 ARG 46 -1.186 6.566 7.987
313 HG3 ARG 46 HG3 ARG 46 -0.912 5.052 7.158
314 HD2 ARG 46 HD2 ARG 46 1.183 6.036 7.851
315 HD3 ARG 46 HD3 ARG 46 1.126 6.004 6.100
316 HE ARG 46 HE ARG 46 0.843 8.349 5.999
317 HH11 ARG 46 HH11 ARG 46 1.491 7.190 9.362
318 HH12 ARG 46 HH12 ARG 46 2.073 8.730 9.844
319 HH21 ARG 46 HH21 ARG 46 1.299 10.465 6.857
320 HH22 ARG 46 HH22 ARG 46 2.017 10.575 8.417
321 H THR 47 H THR 47 1.275 5.972 3.805
322 HA THR 47 HA THR 47 1.370 8.222 2.089
323 HB THR 47 HB THR 47 1.474 9.370 4.316
324 HG1 THR 47 HG1 THR 47 3.228 10.642 3.648
325 HG21 THR 47 HG21 THR 47 2.946 7.458 5.347
326 HG22 THR 47 HG22 THR 47 3.387 9.153 5.726
327 HG23 THR 47 HG23 THR 47 4.267 8.240 4.515
328 H ILE 48 H ILE 48 3.307 8.372 0.956
329 HA ILE 48 HA ILE 48 4.626 5.862 0.523
330 HB ILE 48 HB ILE 48 4.335 7.241 -1.354
331 HG12 ILE 48 HG12 ILE 48 7.273 7.401 -0.581
332 HG13 ILE 48 HG13 ILE 48 6.479 6.000 -1.187
333 HG21 ILE 48 HG21 ILE 48 4.010 9.465 -0.347
334 HG22 ILE 48 HG22 ILE 48 5.730 9.533 0.078
335 HG23 ILE 48 HG23 ILE 48 5.222 9.547 -1.613
336 HD11 ILE 48 HD11 ILE 48 7.047 8.585 -2.660
337 HD12 ILE 48 HD12 ILE 48 7.559 6.940 -3.062
338 HD13 ILE 48 HD13 ILE 48 5.860 7.412 -3.274
339 H ASP 49 H ASP 49 5.211 8.678 2.573
340 HA ASP 49 HA ASP 49 7.978 8.364 2.996
341 HB2 ASP 49 HB2 ASP 49 6.231 10.213 3.805
342 HB3 ASP 49 HB3 ASP 49 6.271 9.243 5.300
343 H GLU 50 H GLU 50 5.192 6.800 4.593
344 HA GLU 50 HA GLU 50 6.823 5.403 6.554
345 HB2 GLU 50 HB2 GLU 50 3.904 5.266 5.734
346 HB3 GLU 50 HB3 GLU 50 4.614 4.221 6.965
347 HG2 GLU 50 HG2 GLU 50 4.429 7.258 7.086
348 HG3 GLU 50 HG3 GLU 50 3.494 6.106 8.032
349 H CYS 51 H CYS 51 5.088 4.736 3.486
350 HA CYS 51 HA CYS 51 5.535 1.978 3.438
351 HB2 CYS 51 HB2 CYS 51 3.980 2.960 1.902
352 HB3 CYS 51 HB3 CYS 51 5.211 4.043 1.248
353 H ASN 52 H ASN 52 7.522 4.640 2.095
354 HA ASN 52 HA ASN 52 9.383 2.821 0.961
355 HB2 ASN 52 HB2 ASN 52 10.529 4.574 0.056
356 HB3 ASN 52 HB3 ASN 52 8.911 5.241 0.207
357 HD21 ASN 52 HD21 ASN 52 8.693 7.098 1.319
358 HD22 ASN 52 HD22 ASN 52 10.011 7.964 2.072
359 H ARG 53 H ARG 53 9.520 4.860 3.825
360 HA ARG 53 HA ARG 53 11.981 3.856 4.738
361 HB2 ARG 53 HB2 ARG 53 11.665 4.876 6.777
362 HB3 ARG 53 HB3 ARG 53 10.646 5.799 5.661
363 HG2 ARG 53 HG2 ARG 53 8.694 4.508 6.478
364 HG3 ARG 53 HG3 ARG 53 9.698 3.687 7.659
365 HD2 ARG 53 HD2 ARG 53 8.359 5.615 8.571
366 HD3 ARG 53 HD3 ARG 53 10.110 5.723 8.858
367 HE ARG 53 HE ARG 53 9.232 7.046 6.427
368 HH11 ARG 53 HH11 ARG 53 9.311 7.510 9.952
369 HH12 ARG 53 HH12 ARG 53 9.723 9.192 9.839
370 HH21 ARG 53 HH21 ARG 53 9.763 9.270 6.292
371 HH22 ARG 53 HH22 ARG 53 9.877 10.233 7.708
372 H THR 54 H THR 54 8.825 2.252 5.017
373 HA THR 54 HA THR 54 10.097 0.161 6.634
374 HB THR 54 HB THR 54 7.874 1.275 7.152
375 HG1 THR 54 HG1 THR 54 8.105 -1.525 7.040
376 HG21 THR 54 HG21 THR 54 6.565 -0.895 5.526
377 HG22 THR 54 HG22 THR 54 6.975 0.616 4.695
378 HG23 THR 54 HG23 THR 54 5.916 0.652 6.104
379 H CYS 55 H CYS 55 9.476 0.486 3.180
380 HA CYS 55 HA CYS 55 9.993 -2.426 2.943
381 HB2 CYS 55 HB2 CYS 55 8.015 -0.972 1.183
382 HB3 CYS 55 HB3 CYS 55 8.265 -2.716 1.342
383 H VAL 56 H VAL 56 10.678 0.779 1.736
384 HA VAL 56 HA VAL 56 11.633 -0.262 -0.872
385 HB VAL 56 HB VAL 56 11.478 2.480 0.355
386 HG11 VAL 56 HG11 VAL 56 12.198 3.428 -1.754
387 HG12 VAL 56 HG12 VAL 56 13.496 2.585 -0.919
388 HG13 VAL 56 HG13 VAL 56 12.702 1.812 -2.316
389 HG21 VAL 56 HG21 VAL 56 9.388 1.408 -0.596
390 HG22 VAL 56 HG22 VAL 56 9.882 2.854 -1.469
391 HG23 VAL 56 HG23 VAL 56 10.234 1.249 -2.143
392 H GLY 57 H GLY 57 13.124 -1.747 -0.246
393 HA2 GLY 57 HA2 GLY 57 15.510 -2.029 -0.234
394 HA3 GLY 57 HA3 GLY 57 15.648 -0.738 0.976
Start of MODEL 6
1 H1 ARG 1 H ARG 1 12.530 -5.231 3.044
2 HA ARG 1 HA ARG 1 10.439 -4.230 2.808
3 HB2 ARG 1 HB2 ARG 1 8.803 -5.124 1.117
4 HB3 ARG 1 HB3 ARG 1 10.067 -4.061 0.577
5 HG2 ARG 1 HG2 ARG 1 10.412 -7.076 0.269
6 HG3 ARG 1 HG3 ARG 1 9.356 -6.180 -0.795
7 HD2 ARG 1 HD2 ARG 1 11.139 -5.817 -2.104
8 HD3 ARG 1 HD3 ARG 1 11.528 -4.574 -0.987
9 HE ARG 1 HE ARG 1 13.400 -5.713 -0.353
10 HH11 ARG 1 HH11 ARG 1 11.215 -8.099 -1.825
11 HH12 ARG 1 HH12 ARG 1 12.524 -9.126 -2.340
12 HH21 ARG 1 HH21 ARG 1 15.014 -7.232 -0.644
13 HH22 ARG 1 HH22 ARG 1 14.668 -8.764 -1.419
14 HA PRO 2 HA PRO 2 9.056 -7.611 5.392
15 HB2 PRO 2 HB2 PRO 2 6.863 -6.408 6.483
16 HB3 PRO 2 HB3 PRO 2 8.514 -5.971 6.984
17 HG2 PRO 2 HG2 PRO 2 6.736 -4.552 5.019
18 HG3 PRO 2 HG3 PRO 2 7.731 -3.833 6.326
19 HD2 PRO 2 HD2 PRO 2 8.584 -3.901 3.731
20 HD3 PRO 2 HD3 PRO 2 9.725 -4.116 5.087
21 H ARG 3 H ARG 3 7.633 -9.241 5.003
22 HA ARG 3 HA ARG 3 6.402 -9.343 2.488
23 HB2 ARG 3 HB2 ARG 3 6.187 -11.517 2.802
24 HB3 ARG 3 HB3 ARG 3 7.358 -11.187 4.053
25 HG2 ARG 3 HG2 ARG 3 4.396 -11.686 4.346
26 HG3 ARG 3 HG3 ARG 3 5.708 -12.744 4.792
27 HD2 ARG 3 HD2 ARG 3 5.268 -10.030 6.119
28 HD3 ARG 3 HD3 ARG 3 4.466 -11.488 6.677
29 HE ARG 3 HE ARG 3 7.116 -10.675 7.270
30 HH11 ARG 3 HH11 ARG 3 5.256 -13.630 6.561
31 HH12 ARG 3 HH12 ARG 3 6.378 -14.694 7.325
32 HH21 ARG 3 HH21 ARG 3 8.476 -12.105 8.570
33 HH22 ARG 3 HH22 ARG 3 8.123 -13.788 8.623
34 H PHE 4 H PHE 4 5.072 -7.632 5.005
35 HA PHE 4 HA PHE 4 2.264 -8.306 4.340
36 HB2 PHE 4 HB2 PHE 4 1.629 -6.994 6.099
37 HB3 PHE 4 HB3 PHE 4 3.075 -7.779 6.703
38 HD1 PHE 4 HD2 PHE 4 1.738 -4.591 5.242
39 HD2 PHE 4 HD1 PHE 4 4.883 -6.428 7.553
40 HE1 PHE 4 HE2 PHE 4 2.602 -2.369 5.803
41 HE2 PHE 4 HE1 PHE 4 5.850 -4.183 7.985
42 HZ PHE 4 HZ PHE 4 4.730 -2.144 7.105
43 H CYS 5 H CYS 5 4.791 -6.059 3.439
44 HA CYS 5 HA CYS 5 3.159 -3.964 2.389
45 HB2 CYS 5 HB2 CYS 5 5.747 -4.349 3.130
46 HB3 CYS 5 HB3 CYS 5 5.939 -4.574 1.403
47 H GLU 6 H GLU 6 4.271 -7.041 1.213
48 HA GLU 6 HA GLU 6 3.911 -6.324 -1.633
49 HB2 GLU 6 HB2 GLU 6 4.968 -8.407 -2.127
50 HB3 GLU 6 HB3 GLU 6 5.888 -7.565 -0.869
51 HG2 GLU 6 HG2 GLU 6 4.932 -8.970 0.847
52 HG3 GLU 6 HG3 GLU 6 3.924 -9.839 -0.322
53 H LEU 7 H LEU 7 1.600 -6.902 0.498
54 HA LEU 7 HA LEU 7 0.243 -9.173 -0.750
55 HB2 LEU 7 HB2 LEU 7 -0.765 -7.077 1.203
56 HB3 LEU 7 HB3 LEU 7 -1.587 -8.589 0.776
57 HG LEU 7 HG LEU 7 1.060 -8.305 2.253
58 HD11 LEU 7 HD11 LEU 7 -1.625 -9.342 3.229
59 HD12 LEU 7 HD12 LEU 7 -0.994 -7.710 3.538
60 HD13 LEU 7 HD13 LEU 7 -0.148 -9.122 4.186
61 HD21 LEU 7 HD21 LEU 7 1.186 -10.335 0.983
62 HD22 LEU 7 HD22 LEU 7 -0.430 -10.838 1.570
63 HD23 LEU 7 HD23 LEU 7 0.945 -10.692 2.689
64 H ALA 8 H ALA 8 -2.059 -8.777 -1.457
65 HA ALA 8 HA ALA 8 -2.099 -6.605 -3.515
66 HB1 ALA 8 HB1 ALA 8 -3.826 -7.939 -4.642
67 HB2 ALA 8 HB2 ALA 8 -2.311 -8.845 -4.486
68 HB3 ALA 8 HB3 ALA 8 -3.674 -9.189 -3.399
69 HA PRO 9 HA PRO 9 -4.968 -5.083 -0.440
70 HB2 PRO 9 HB2 PRO 9 -5.934 -2.846 -1.634
71 HB3 PRO 9 HB3 PRO 9 -4.316 -2.966 -0.897
72 HG2 PRO 9 HG2 PRO 9 -5.057 -3.206 -3.829
73 HG3 PRO 9 HG3 PRO 9 -3.666 -2.356 -3.091
74 HD2 PRO 9 HD2 PRO 9 -3.518 -4.884 -4.188
75 HD3 PRO 9 HD3 PRO 9 -2.443 -4.331 -2.865
76 H SER 10 H SER 10 -6.776 -6.388 -0.250
77 HA SER 10 HA SER 10 -8.596 -7.001 -2.394
78 HB2 SER 10 HB2 SER 10 -8.045 -8.621 -0.636
79 HB3 SER 10 HB3 SER 10 -8.703 -7.530 0.593
80 HG SER 10 HG SER 10 -10.713 -7.697 -0.521
81 H ALA 11 H ALA 11 -8.588 -4.293 -2.392
82 HA ALA 11 HA ALA 11 -10.400 -2.914 -0.691
83 HB1 ALA 11 HB1 ALA 11 -10.259 -1.146 -2.417
84 HB2 ALA 11 HB2 ALA 11 -8.654 -1.813 -2.055
85 HB3 ALA 11 HB3 ALA 11 -9.509 -2.291 -3.539
86 H GLY 12 H GLY 12 -11.125 -5.172 -3.155
87 HA2 GLY 12 HA2 GLY 12 -13.580 -4.043 -4.176
88 HA3 GLY 12 HA3 GLY 12 -13.040 -5.722 -4.317
89 H SER 13 H SER 13 -12.914 -5.169 -1.121
90 HA SER 13 HA SER 13 -14.984 -6.832 -0.379
91 HB2 SER 13 HB2 SER 13 -12.811 -6.028 0.779
92 HB3 SER 13 HB3 SER 13 -13.785 -4.707 1.420
93 HG SER 13 HG SER 13 -14.060 -7.512 1.687
94 H CYS 14 H CYS 14 -15.139 -3.165 -0.338
95 HA CYS 14 HA CYS 14 -18.065 -3.396 -0.368
96 HB2 CYS 14 HB2 CYS 14 -16.701 -1.607 1.677
97 HB3 CYS 14 HB3 CYS 14 -18.416 -1.904 1.478
98 H PHE 15 H PHE 15 -19.085 -1.276 -0.882
99 HA PHE 15 HA PHE 15 -17.215 0.365 -2.524
100 HB2 PHE 15 HB2 PHE 15 -19.181 -0.150 -3.746
101 HB3 PHE 15 HB3 PHE 15 -20.226 0.177 -2.389
102 HD1 PHE 15 HD2 PHE 15 -17.474 2.143 -4.101
103 HD2 PHE 15 HD1 PHE 15 -21.549 2.046 -2.773
104 HE1 PHE 15 HE2 PHE 15 -17.762 4.524 -4.777
105 HE2 PHE 15 HE1 PHE 15 -21.897 4.361 -3.619
106 HZ PHE 15 HZ PHE 15 -19.967 5.622 -4.568
107 H ALA 16 H ALA 16 -16.155 1.611 -1.378
108 HA ALA 16 HA ALA 16 -17.161 3.753 0.263
109 HB1 ALA 16 HB1 ALA 16 -15.253 1.580 1.219
110 HB2 ALA 16 HB2 ALA 16 -15.298 3.205 1.933
111 HB3 ALA 16 HB3 ALA 16 -16.726 2.152 2.016
112 H PHE 17 H PHE 17 -15.370 5.431 0.151
113 HA PHE 17 HA PHE 17 -13.252 4.728 -1.830
114 HB2 PHE 17 HB2 PHE 17 -15.268 5.933 -2.790
115 HB3 PHE 17 HB3 PHE 17 -14.802 7.320 -1.809
116 HD1 PHE 17 HD2 PHE 17 -13.235 4.833 -4.225
117 HD2 PHE 17 HD1 PHE 17 -13.522 8.941 -2.939
118 HE1 PHE 17 HE2 PHE 17 -11.645 5.498 -5.998
119 HE2 PHE 17 HE1 PHE 17 -11.933 9.596 -4.707
120 HZ PHE 17 HZ PHE 17 -10.936 7.876 -6.202
121 H VAL 18 H VAL 18 -11.432 4.737 -0.668
122 HA VAL 18 HA VAL 18 -10.750 7.209 0.779
123 HB VAL 18 HB VAL 18 -9.716 5.735 2.588
124 HG11 VAL 18 HG11 VAL 18 -11.662 7.275 2.877
125 HG12 VAL 18 HG12 VAL 18 -12.762 5.943 2.480
126 HG13 VAL 18 HG13 VAL 18 -11.746 5.861 3.929
127 HG21 VAL 18 HG21 VAL 18 -10.920 3.670 3.173
128 HG22 VAL 18 HG22 VAL 18 -11.905 3.782 1.698
129 HG23 VAL 18 HG23 VAL 18 -10.160 3.492 1.588
130 HA PRO 19 HA PRO 19 -7.719 5.875 -2.391
131 HB2 PRO 19 HB2 PRO 19 -6.493 8.339 -2.723
132 HB3 PRO 19 HB3 PRO 19 -7.971 7.804 -3.584
133 HG2 PRO 19 HG2 PRO 19 -7.785 9.504 -1.082
134 HG3 PRO 19 HG3 PRO 19 -8.790 9.777 -2.537
135 HD2 PRO 19 HD2 PRO 19 -9.815 8.660 -0.317
136 HD3 PRO 19 HD3 PRO 19 -10.300 8.043 -1.925
137 H SER 20 H SER 20 -6.132 4.696 -1.531
138 HA SER 20 HA SER 20 -4.501 5.875 0.633
139 HB2 SER 20 HB2 SER 20 -5.300 2.977 0.550
140 HB3 SER 20 HB3 SER 20 -4.436 3.836 1.817
141 HG SER 20 HG SER 20 -7.076 4.410 0.940
142 H TYR 21 H TYR 21 -2.356 4.225 0.818
143 HA TYR 21 HA TYR 21 -1.127 4.484 -1.898
144 HB2 TYR 21 HB2 TYR 21 -0.329 5.064 0.905
145 HB3 TYR 21 HB3 TYR 21 0.877 4.435 -0.119
146 HD1 TYR 21 HD2 TYR 21 1.779 5.990 -2.170
147 HD2 TYR 21 HD1 TYR 21 -1.317 7.240 0.643
148 HE1 TYR 21 HE2 TYR 21 1.975 8.220 -2.971
149 HE2 TYR 21 HE1 TYR 21 -0.991 9.553 -0.093
150 HH TYR 21 HH TYR 21 1.303 10.447 -2.726
151 H TYR 22 H TYR 22 -0.061 2.916 -2.872
152 HA TYR 22 HA TYR 22 -0.072 0.126 -1.847
153 HB2 TYR 22 HB2 TYR 22 -1.234 1.045 -4.005
154 HB3 TYR 22 HB3 TYR 22 0.366 1.232 -4.658
155 HD1 TYR 22 HD1 TYR 22 1.940 -0.789 -4.836
156 HD2 TYR 22 HD2 TYR 22 -2.329 -1.020 -4.380
157 HE1 TYR 22 HE1 TYR 22 2.039 -3.162 -5.435
158 HE2 TYR 22 HE2 TYR 22 -2.258 -3.383 -5.185
159 HH TYR 22 HH TYR 22 -0.781 -5.268 -5.831
160 H TYR 23 H TYR 23 1.873 -1.024 -1.750
161 HA TYR 23 HA TYR 23 4.422 0.428 -2.305
162 HB2 TYR 23 HB2 TYR 23 4.217 -0.681 -0.159
163 HB3 TYR 23 HB3 TYR 23 3.746 -2.181 -0.936
164 HD1 TYR 23 HD1 TYR 23 6.613 0.289 -1.105
165 HD2 TYR 23 HD2 TYR 23 5.389 -3.838 -1.179
166 HE1 TYR 23 HE1 TYR 23 8.952 -0.379 -1.224
167 HE2 TYR 23 HE2 TYR 23 7.742 -4.518 -1.254
168 HH TYR 23 HH TYR 23 10.483 -2.218 -1.491
169 H ASN 24 H ASN 24 5.630 0.074 -4.233
170 HA ASN 24 HA ASN 24 5.073 -2.477 -5.681
171 HB2 ASN 24 HB2 ASN 24 5.692 0.268 -6.789
172 HB3 ASN 24 HB3 ASN 24 5.807 -1.222 -7.720
173 HD21 ASN 24 HD21 ASN 24 3.848 1.272 -7.408
174 HD22 ASN 24 HD22 ASN 24 2.266 0.530 -7.627
175 H GLN 25 H GLN 25 6.690 -3.571 -4.551
176 HA GLN 25 HA GLN 25 9.362 -2.881 -4.179
177 HB2 GLN 25 HB2 GLN 25 9.802 -5.414 -4.444
178 HB3 GLN 25 HB3 GLN 25 8.809 -4.888 -3.122
179 HG2 GLN 25 HG2 GLN 25 7.583 -5.866 -5.725
180 HG3 GLN 25 HG3 GLN 25 8.082 -6.967 -4.441
181 HE21 GLN 25 HE21 GLN 25 5.291 -5.299 -5.542
182 HE22 GLN 25 HE22 GLN 25 4.549 -5.029 -3.999
183 H TYR 26 H TYR 26 7.797 -4.117 -7.136
184 HA TYR 26 HA TYR 26 9.954 -4.817 -8.705
185 HB2 TYR 26 HB2 TYR 26 7.511 -3.207 -9.572
186 HB3 TYR 26 HB3 TYR 26 8.574 -4.109 -10.631
187 HD1 TYR 26 HD2 TYR 26 8.831 -6.698 -10.110
188 HD2 TYR 26 HD1 TYR 26 5.492 -4.231 -8.911
189 HE1 TYR 26 HE2 TYR 26 7.379 -8.694 -10.058
190 HE2 TYR 26 HE1 TYR 26 4.041 -6.209 -8.875
191 HH TYR 26 HH TYR 26 5.186 -9.439 -9.921
192 H SER 27 H SER 27 8.814 -1.522 -7.918
193 HA SER 27 HA SER 27 11.116 -0.426 -9.441
194 HB2 SER 27 HB2 SER 27 8.713 0.006 -10.252
195 HB3 SER 27 HB3 SER 27 8.549 1.054 -8.836
196 HG SER 27 HG SER 27 10.435 1.238 -10.976
197 H ASN 28 H ASN 28 10.596 -1.271 -6.399
198 HA ASN 28 HA ASN 28 11.144 -0.553 -4.366
199 HB2 ASN 28 HB2 ASN 28 13.333 -0.916 -5.418
200 HB3 ASN 28 HB3 ASN 28 13.330 0.691 -6.099
201 HD21 ASN 28 HD21 ASN 28 13.414 -0.952 -2.815
202 HD22 ASN 28 HD22 ASN 28 14.536 0.268 -2.211
203 H THR 29 H THR 29 9.003 0.933 -5.254
204 HA THR 29 HA THR 29 9.326 3.330 -3.692
205 HB THR 29 HB THR 29 10.041 4.058 -5.988
206 HG1 THR 29 HG1 THR 29 8.507 5.862 -5.988
207 HG21 THR 29 HG21 THR 29 8.318 4.443 -7.698
208 HG22 THR 29 HG22 THR 29 7.120 3.574 -6.741
209 HG23 THR 29 HG23 THR 29 8.534 2.716 -7.389
210 H CYS 30 H CYS 30 6.831 4.509 -4.110
211 HA CYS 30 HA CYS 30 4.857 2.333 -3.945
212 HB2 CYS 30 HB2 CYS 30 4.776 4.530 -1.920
213 HB3 CYS 30 HB3 CYS 30 4.206 2.858 -1.939
214 H HIS 31 H HIS 31 2.683 3.142 -4.420
215 HA HIS 31 HA HIS 31 2.536 5.917 -5.404
216 HB2 HIS 31 HB2 HIS 31 3.215 4.125 -7.176
217 HB3 HIS 31 HB3 HIS 31 1.551 3.567 -7.024
218 HD1 HIS 31 HD1 HIS 31 0.073 4.688 -8.905
219 HD2 HIS 31 HD2 HIS 31 3.216 7.082 -7.434
220 HE1 HIS 31 HE1 HIS 31 0.016 6.832 -10.257
221 H SER 32 H SER 32 0.322 6.738 -5.608
222 HA SER 32 HA SER 32 -1.402 5.704 -3.572
223 HB2 SER 32 HB2 SER 32 -2.958 7.384 -4.480
224 HB3 SER 32 HB3 SER 32 -1.372 8.044 -4.049
225 HG SER 32 HG SER 32 -2.185 8.777 -6.103
226 H PHE 33 H PHE 33 -3.327 4.589 -3.745
227 HA PHE 33 HA PHE 33 -4.377 3.711 -6.320
228 HB2 PHE 33 HB2 PHE 33 -4.225 1.450 -6.008
229 HB3 PHE 33 HB3 PHE 33 -2.654 1.997 -5.450
230 HD1 PHE 33 HD2 PHE 33 -2.502 2.429 -2.840
231 HD2 PHE 33 HD1 PHE 33 -5.566 0.052 -4.678
232 HE1 PHE 33 HE2 PHE 33 -2.968 1.309 -0.646
233 HE2 PHE 33 HE1 PHE 33 -6.146 -0.891 -2.509
234 HZ PHE 33 HZ PHE 33 -4.756 -0.277 -0.453
235 H THR 34 H THR 34 -6.477 2.177 -5.504
236 HA THR 34 HA THR 34 -8.037 4.056 -3.758
237 HB THR 34 HB THR 34 -10.003 2.940 -4.969
238 HG1 THR 34 HG1 THR 34 -9.353 1.300 -6.093
239 HG21 THR 34 HG21 THR 34 -8.021 4.551 -6.636
240 HG22 THR 34 HG22 THR 34 -9.199 5.226 -5.500
241 HG23 THR 34 HG23 THR 34 -9.751 4.367 -6.952
242 H TYR 35 H TYR 35 -8.867 3.402 -1.778
243 HA TYR 35 HA TYR 35 -8.936 0.483 -1.288
244 HB2 TYR 35 HB2 TYR 35 -7.098 1.814 -0.110
245 HB3 TYR 35 HB3 TYR 35 -8.355 2.500 0.870
246 HD1 TYR 35 HD1 TYR 35 -6.987 -0.807 -0.332
247 HD2 TYR 35 HD2 TYR 35 -8.708 1.428 2.949
248 HE1 TYR 35 HE1 TYR 35 -6.256 -2.538 1.242
249 HE2 TYR 35 HE2 TYR 35 -8.132 -0.414 4.489
250 HH TYR 35 HH TYR 35 -7.181 -2.585 4.663
251 H SER 36 H SER 36 -10.483 -0.031 0.619
252 HA SER 36 HA SER 36 -12.876 1.742 0.574
253 HB2 SER 36 HB2 SER 36 -14.168 -0.430 0.755
254 HB3 SER 36 HB3 SER 36 -13.375 -0.087 -0.792
255 HG SER 36 HG SER 36 -12.620 -1.970 -0.547
256 H GLY 37 H GLY 37 -10.558 0.159 2.646
257 HA2 GLY 37 HA2 GLY 37 -10.348 0.400 4.913
258 HA3 GLY 37 HA3 GLY 37 -11.868 1.278 4.966
259 H CYS 38 H CYS 38 -13.664 -0.800 3.968
260 HA CYS 38 HA CYS 38 -14.038 -2.264 6.400
261 HB2 CYS 38 HB2 CYS 38 -15.955 -3.111 5.463
262 HB3 CYS 38 HB3 CYS 38 -15.777 -1.632 4.527
263 H GLY 39 H GLY 39 -12.169 -2.939 3.600
264 HA2 GLY 39 HA2 GLY 39 -11.368 -5.595 4.533
265 HA3 GLY 39 HA3 GLY 39 -12.001 -5.446 2.873
266 H GLY 40 H GLY 40 -9.908 -6.124 2.190
267 HA2 GLY 40 HA2 GLY 40 -8.148 -5.113 0.884
268 HA3 GLY 40 HA3 GLY 40 -7.982 -3.869 2.089
269 H ASN 41 H ASN 41 -5.625 -4.736 1.722
270 HA ASN 41 HA ASN 41 -5.083 -6.738 3.837
271 HB2 ASN 41 HB2 ASN 41 -3.928 -6.784 1.013
272 HB3 ASN 41 HB3 ASN 41 -3.080 -7.465 2.378
273 HD21 ASN 41 HD21 ASN 41 -5.250 -8.373 -0.019
274 HD22 ASN 41 HD22 ASN 41 -6.045 -9.706 0.816
275 H ALA 42 H ALA 42 -2.871 -6.602 4.594
276 HA ALA 42 HA ALA 42 -2.217 -4.114 5.536
277 HB1 ALA 42 HB1 ALA 42 -1.490 -6.366 6.409
278 HB2 ALA 42 HB2 ALA 42 -0.239 -6.374 5.136
279 HB3 ALA 42 HB3 ALA 42 -0.221 -5.125 6.399
280 H ASN 43 H ASN 43 -1.456 -5.120 2.274
281 HA ASN 43 HA ASN 43 0.979 -3.698 1.878
282 HB2 ASN 43 HB2 ASN 43 0.668 -4.834 -0.037
283 HB3 ASN 43 HB3 ASN 43 -1.048 -5.059 0.270
284 HD21 ASN 43 HD21 ASN 43 1.143 -3.527 -1.892
285 HD22 ASN 43 HD22 ASN 43 -0.173 -2.714 -2.707
286 H ARG 44 H ARG 44 -2.257 -2.522 2.390
287 HA ARG 44 HA ARG 44 -1.937 -0.020 1.019
288 HB2 ARG 44 HB2 ARG 44 -4.099 -1.111 1.438
289 HB3 ARG 44 HB3 ARG 44 -3.872 -1.043 3.167
290 HG2 ARG 44 HG2 ARG 44 -3.661 1.631 1.889
291 HG3 ARG 44 HG3 ARG 44 -5.185 0.851 1.558
292 HD2 ARG 44 HD2 ARG 44 -5.235 2.322 3.559
293 HD3 ARG 44 HD3 ARG 44 -5.750 0.664 3.869
294 HE ARG 44 HE ARG 44 -3.270 0.350 4.616
295 HH11 ARG 44 HH11 ARG 44 -5.547 2.907 5.505
296 HH12 ARG 44 HH12 ARG 44 -4.613 3.362 6.924
297 HH21 ARG 44 HH21 ARG 44 -2.434 0.622 6.639
298 HH22 ARG 44 HH22 ARG 44 -2.902 1.952 7.645
299 H PHE 45 H PHE 45 -1.291 1.914 1.795
300 HA PHE 45 HA PHE 45 -0.566 2.314 4.652
301 HB2 PHE 45 HB2 PHE 45 0.970 3.138 2.143
302 HB3 PHE 45 HB3 PHE 45 1.336 3.737 3.759
303 HD1 PHE 45 HD1 PHE 45 2.127 2.192 5.567
304 HD2 PHE 45 HD2 PHE 45 1.615 0.900 1.473
305 HE1 PHE 45 HE1 PHE 45 3.462 0.160 6.031
306 HE2 PHE 45 HE2 PHE 45 2.943 -1.100 1.938
307 HZ PHE 45 HZ PHE 45 3.930 -1.458 4.209
308 H ARG 46 H ARG 46 -0.215 4.788 4.938
309 HA ARG 46 HA ARG 46 -2.511 6.221 3.705
310 HB2 ARG 46 HB2 ARG 46 -2.112 7.784 5.733
311 HB3 ARG 46 HB3 ARG 46 -2.981 6.277 5.914
312 HG2 ARG 46 HG2 ARG 46 -1.471 6.696 7.790
313 HG3 ARG 46 HG3 ARG 46 -1.131 5.183 6.984
314 HD2 ARG 46 HD2 ARG 46 0.896 6.303 7.656
315 HD3 ARG 46 HD3 ARG 46 0.852 6.185 5.910
316 HE ARG 46 HE ARG 46 0.498 8.522 5.709
317 HH11 ARG 46 HH11 ARG 46 1.126 7.558 9.127
318 HH12 ARG 46 HH12 ARG 46 1.545 9.174 9.564
319 HH21 ARG 46 HH21 ARG 46 0.762 10.659 6.458
320 HH22 ARG 46 HH22 ARG 46 1.243 10.967 8.069
321 H THR 47 H THR 47 0.957 6.080 3.599
322 HA THR 47 HA THR 47 0.968 8.244 1.802
323 HB THR 47 HB THR 47 1.017 9.462 4.005
324 HG1 THR 47 HG1 THR 47 1.840 10.767 2.562
325 HG21 THR 47 HG21 THR 47 2.987 9.408 5.358
326 HG22 THR 47 HG22 THR 47 3.872 8.492 4.144
327 HG23 THR 47 HG23 THR 47 2.612 7.684 5.044
328 H ILE 48 H ILE 48 3.004 8.524 0.736
329 HA ILE 48 HA ILE 48 4.301 6.003 0.264
330 HB ILE 48 HB ILE 48 4.079 7.415 -1.587
331 HG12 ILE 48 HG12 ILE 48 7.011 7.489 -0.706
332 HG13 ILE 48 HG13 ILE 48 6.190 6.132 -1.423
333 HG21 ILE 48 HG21 ILE 48 3.821 9.638 -0.491
334 HG22 ILE 48 HG22 ILE 48 5.564 9.653 -0.124
335 HG23 ILE 48 HG23 ILE 48 4.978 9.705 -1.794
336 HD11 ILE 48 HD11 ILE 48 5.785 7.520 -3.488
337 HD12 ILE 48 HD12 ILE 48 6.812 8.783 -2.772
338 HD13 ILE 48 HD13 ILE 48 7.482 7.187 -3.133
339 H ASP 49 H ASP 49 4.940 8.821 2.372
340 HA ASP 49 HA ASP 49 7.702 8.279 2.792
341 HB2 ASP 49 HB2 ASP 49 6.620 10.374 3.453
342 HB3 ASP 49 HB3 ASP 49 5.764 9.528 4.741
343 H GLU 50 H GLU 50 4.777 7.050 4.459
344 HA GLU 50 HA GLU 50 6.336 5.593 6.421
345 HB2 GLU 50 HB2 GLU 50 3.416 5.464 5.577
346 HB3 GLU 50 HB3 GLU 50 4.108 4.450 6.844
347 HG2 GLU 50 HG2 GLU 50 3.959 7.495 6.876
348 HG3 GLU 50 HG3 GLU 50 3.019 6.374 7.861
349 H CYS 51 H CYS 51 4.679 4.890 3.325
350 HA CYS 51 HA CYS 51 5.078 2.121 3.360
351 HB2 CYS 51 HB2 CYS 51 3.564 3.122 1.814
352 HB3 CYS 51 HB3 CYS 51 4.830 4.156 1.131
353 H ASN 52 H ASN 52 7.151 4.754 2.070
354 HA ASN 52 HA ASN 52 9.068 2.898 1.064
355 HB2 ASN 52 HB2 ASN 52 10.207 4.598 0.100
356 HB3 ASN 52 HB3 ASN 52 8.598 5.259 0.145
357 HD21 ASN 52 HD21 ASN 52 8.508 7.310 0.862
358 HD22 ASN 52 HD22 ASN 52 9.758 8.158 1.743
359 H ARG 53 H ARG 53 9.149 5.144 3.864
360 HA ARG 53 HA ARG 53 11.579 4.146 4.803
361 HB2 ARG 53 HB2 ARG 53 11.233 5.298 6.795
362 HB3 ARG 53 HB3 ARG 53 10.230 6.174 5.619
363 HG2 ARG 53 HG2 ARG 53 8.282 4.782 6.453
364 HG3 ARG 53 HG3 ARG 53 9.305 4.235 7.778
365 HD2 ARG 53 HD2 ARG 53 8.652 7.148 7.142
366 HD3 ARG 53 HD3 ARG 53 7.838 6.180 8.359
367 HE ARG 53 HE ARG 53 10.558 7.277 8.458
368 HH11 ARG 53 HH11 ARG 53 8.159 5.178 10.031
369 HH12 ARG 53 HH12 ARG 53 8.893 5.223 11.590
370 HH21 ARG 53 HH21 ARG 53 11.703 7.137 10.448
371 HH22 ARG 53 HH22 ARG 53 10.970 6.411 11.838
372 H THR 54 H THR 54 8.503 2.465 5.019
373 HA THR 54 HA THR 54 9.646 0.568 6.967
374 HB THR 54 HB THR 54 7.363 1.688 7.167
375 HG1 THR 54 HG1 THR 54 7.844 -1.060 7.442
376 HG21 THR 54 HG21 THR 54 6.718 0.820 4.714
377 HG22 THR 54 HG22 THR 54 5.546 0.979 6.004
378 HG23 THR 54 HG23 THR 54 6.237 -0.631 5.611
379 H CYS 55 H CYS 55 9.376 0.766 3.501
380 HA CYS 55 HA CYS 55 9.948 -2.161 3.398
381 HB2 CYS 55 HB2 CYS 55 8.054 -0.729 1.510
382 HB3 CYS 55 HB3 CYS 55 8.446 -2.445 1.523
383 H VAL 56 H VAL 56 10.225 0.978 1.696
384 HA VAL 56 HA VAL 56 11.585 -0.093 -0.601
385 HB VAL 56 HB VAL 56 11.313 2.669 0.580
386 HG11 VAL 56 HG11 VAL 56 12.318 3.671 -1.316
387 HG12 VAL 56 HG12 VAL 56 13.517 2.643 -0.538
388 HG13 VAL 56 HG13 VAL 56 12.708 2.095 -2.030
389 HG21 VAL 56 HG21 VAL 56 9.988 3.020 -1.515
390 HG22 VAL 56 HG22 VAL 56 10.341 1.365 -2.008
391 HG23 VAL 56 HG23 VAL 56 9.329 1.666 -0.588
392 H GLY 57 H GLY 57 13.382 -1.051 -0.603
393 HA2 GLY 57 HA2 GLY 57 15.300 -0.906 1.635
394 HA3 GLY 57 HA3 GLY 57 15.361 -1.990 0.213
Start of MODEL 7
1 H1 ARG 1 H ARG 1 12.846 -4.765 1.696
2 HA ARG 1 HA ARG 1 10.733 -4.151 2.688
3 HB2 ARG 1 HB2 ARG 1 9.156 -4.867 0.827
4 HB3 ARG 1 HB3 ARG 1 10.507 -3.828 0.467
5 HG2 ARG 1 HG2 ARG 1 10.798 -6.813 -0.052
6 HG3 ARG 1 HG3 ARG 1 9.802 -5.805 -1.078
7 HD2 ARG 1 HD2 ARG 1 11.630 -5.523 -2.313
8 HD3 ARG 1 HD3 ARG 1 11.901 -4.231 -1.203
9 HE ARG 1 HE ARG 1 13.779 -5.272 -0.381
10 HH11 ARG 1 HH11 ARG 1 11.949 -7.632 -2.357
11 HH12 ARG 1 HH12 ARG 1 13.343 -8.598 -2.703
12 HH21 ARG 1 HH21 ARG 1 15.474 -6.712 -0.565
13 HH22 ARG 1 HH22 ARG 1 15.393 -8.125 -1.595
14 HA PRO 2 HA PRO 2 9.236 -7.570 5.110
15 HB2 PRO 2 HB2 PRO 2 7.088 -6.336 6.292
16 HB3 PRO 2 HB3 PRO 2 8.768 -6.054 6.797
17 HG2 PRO 2 HG2 PRO 2 7.104 -4.387 4.915
18 HG3 PRO 2 HG3 PRO 2 8.126 -3.824 6.285
19 HD2 PRO 2 HD2 PRO 2 9.018 -3.771 3.730
20 HD3 PRO 2 HD3 PRO 2 10.122 -4.210 5.066
21 H ARG 3 H ARG 3 7.652 -9.119 4.861
22 HA ARG 3 HA ARG 3 6.359 -9.253 2.388
23 HB2 ARG 3 HB2 ARG 3 5.502 -11.339 2.998
24 HB3 ARG 3 HB3 ARG 3 7.036 -11.172 3.818
25 HG2 ARG 3 HG2 ARG 3 5.789 -12.099 5.493
26 HG3 ARG 3 HG3 ARG 3 5.549 -10.398 5.890
27 HD2 ARG 3 HD2 ARG 3 3.335 -10.427 4.827
28 HD3 ARG 3 HD3 ARG 3 3.631 -12.013 4.136
29 HE ARG 3 HE ARG 3 2.898 -11.342 6.903
30 HH11 ARG 3 HH11 ARG 3 3.951 -13.958 4.715
31 HH12 ARG 3 HH12 ARG 3 3.134 -15.197 5.604
32 HH21 ARG 3 HH21 ARG 3 1.889 -13.045 8.130
33 HH22 ARG 3 HH22 ARG 3 1.953 -14.659 7.520
34 H PHE 4 H PHE 4 5.087 -7.611 5.217
35 HA PHE 4 HA PHE 4 2.333 -7.907 4.399
36 HB2 PHE 4 HB2 PHE 4 1.783 -6.378 6.056
37 HB3 PHE 4 HB3 PHE 4 3.158 -7.230 6.712
38 HD1 PHE 4 HD2 PHE 4 2.002 -4.073 5.106
39 HD2 PHE 4 HD1 PHE 4 5.158 -6.005 7.304
40 HE1 PHE 4 HE2 PHE 4 3.076 -1.853 5.577
41 HE2 PHE 4 HE1 PHE 4 6.222 -3.804 7.729
42 HZ PHE 4 HZ PHE 4 5.163 -1.727 6.866
43 H CYS 5 H CYS 5 4.981 -5.827 3.283
44 HA CYS 5 HA CYS 5 3.276 -3.842 2.115
45 HB2 CYS 5 HB2 CYS 5 6.114 -4.356 2.493
46 HB3 CYS 5 HB3 CYS 5 5.825 -3.925 0.829
47 H GLU 6 H GLU 6 4.078 -7.063 1.140
48 HA GLU 6 HA GLU 6 3.600 -6.400 -1.725
49 HB2 GLU 6 HB2 GLU 6 4.753 -8.317 -2.327
50 HB3 GLU 6 HB3 GLU 6 5.665 -7.541 -1.032
51 HG2 GLU 6 HG2 GLU 6 5.179 -9.198 0.535
52 HG3 GLU 6 HG3 GLU 6 3.889 -9.915 -0.431
53 H LEU 7 H LEU 7 1.396 -6.735 0.461
54 HA LEU 7 HA LEU 7 0.082 -9.200 -0.493
55 HB2 LEU 7 HB2 LEU 7 -0.948 -7.072 1.389
56 HB3 LEU 7 HB3 LEU 7 -1.648 -8.677 1.097
57 HG LEU 7 HG LEU 7 0.994 -8.002 2.434
58 HD11 LEU 7 HD11 LEU 7 -1.372 -9.534 3.537
59 HD12 LEU 7 HD12 LEU 7 -1.196 -7.782 3.691
60 HD13 LEU 7 HD13 LEU 7 0.024 -8.840 4.412
61 HD21 LEU 7 HD21 LEU 7 -0.074 -10.778 1.884
62 HD22 LEU 7 HD22 LEU 7 1.364 -10.350 2.855
63 HD23 LEU 7 HD23 LEU 7 1.370 -10.051 1.133
64 H ALA 8 H ALA 8 -2.228 -8.967 -1.213
65 HA ALA 8 HA ALA 8 -2.297 -6.943 -3.390
66 HB1 ALA 8 HB1 ALA 8 -4.023 -9.400 -2.944
67 HB2 ALA 8 HB2 ALA 8 -3.963 -8.375 -4.392
68 HB3 ALA 8 HB3 ALA 8 -2.559 -9.358 -3.957
69 HA PRO 9 HA PRO 9 -5.163 -4.952 -0.641
70 HB2 PRO 9 HB2 PRO 9 -6.204 -2.952 -2.222
71 HB3 PRO 9 HB3 PRO 9 -4.554 -2.892 -1.533
72 HG2 PRO 9 HG2 PRO 9 -5.363 -3.789 -4.299
73 HG3 PRO 9 HG3 PRO 9 -4.059 -2.662 -3.826
74 HD2 PRO 9 HD2 PRO 9 -3.579 -5.308 -4.352
75 HD3 PRO 9 HD3 PRO 9 -2.671 -4.434 -3.074
76 H SER 10 H SER 10 -6.862 -6.142 -0.121
77 HA SER 10 HA SER 10 -8.774 -7.168 -2.024
78 HB2 SER 10 HB2 SER 10 -7.933 -8.377 0.026
79 HB3 SER 10 HB3 SER 10 -8.829 -7.237 1.018
80 HG SER 10 HG SER 10 -10.172 -8.845 0.849
81 H ALA 11 H ALA 11 -8.799 -4.480 -2.385
82 HA ALA 11 HA ALA 11 -10.615 -2.982 -0.738
83 HB1 ALA 11 HB1 ALA 11 -9.668 -2.469 -3.593
84 HB2 ALA 11 HB2 ALA 11 -10.412 -1.280 -2.507
85 HB3 ALA 11 HB3 ALA 11 -8.825 -1.953 -2.112
86 H GLY 12 H GLY 12 -11.338 -5.435 -3.040
87 HA2 GLY 12 HA2 GLY 12 -13.814 -4.255 -4.031
88 HA3 GLY 12 HA3 GLY 12 -13.227 -5.904 -4.257
89 H SER 13 H SER 13 -12.979 -5.608 -1.059
90 HA SER 13 HA SER 13 -14.919 -7.355 -0.332
91 HB2 SER 13 HB2 SER 13 -12.847 -6.292 0.896
92 HB3 SER 13 HB3 SER 13 -14.064 -5.232 1.623
93 HG SER 13 HG SER 13 -13.888 -8.064 1.643
94 H CYS 14 H CYS 14 -15.331 -3.756 0.134
95 HA CYS 14 HA CYS 14 -18.243 -4.121 -0.071
96 HB2 CYS 14 HB2 CYS 14 -17.230 -2.431 2.183
97 HB3 CYS 14 HB3 CYS 14 -18.772 -3.237 2.015
98 H PHE 15 H PHE 15 -19.223 -1.719 0.039
99 HA PHE 15 HA PHE 15 -17.624 -0.237 -1.938
100 HB2 PHE 15 HB2 PHE 15 -20.141 -0.679 -2.006
101 HB3 PHE 15 HB3 PHE 15 -20.303 0.560 -0.770
102 HD1 PHE 15 HD1 PHE 15 -18.734 2.835 -1.484
103 HD2 PHE 15 HD2 PHE 15 -20.696 0.025 -4.129
104 HE1 PHE 15 HE1 PHE 15 -18.692 4.500 -3.292
105 HE2 PHE 15 HE2 PHE 15 -20.725 1.757 -5.906
106 HZ PHE 15 HZ PHE 15 -19.727 3.985 -5.485
107 H ALA 16 H ALA 16 -15.972 0.872 -1.045
108 HA ALA 16 HA ALA 16 -16.531 2.995 0.856
109 HB1 ALA 16 HB1 ALA 16 -14.540 0.771 1.439
110 HB2 ALA 16 HB2 ALA 16 -14.554 2.349 2.251
111 HB3 ALA 16 HB3 ALA 16 -15.941 1.243 2.398
112 H PHE 17 H PHE 17 -15.244 4.760 0.192
113 HA PHE 17 HA PHE 17 -13.121 4.185 -1.828
114 HB2 PHE 17 HB2 PHE 17 -15.296 4.927 -2.782
115 HB3 PHE 17 HB3 PHE 17 -15.188 6.399 -1.827
116 HD1 PHE 17 HD2 PHE 17 -12.045 5.142 -3.424
117 HD2 PHE 17 HD1 PHE 17 -15.559 7.621 -3.931
118 HE1 PHE 17 HE2 PHE 17 -10.954 6.339 -5.274
119 HE2 PHE 17 HE1 PHE 17 -14.429 8.799 -5.804
120 HZ PHE 17 HZ PHE 17 -12.117 8.184 -6.442
121 H VAL 18 H VAL 18 -11.295 4.512 -0.701
122 HA VAL 18 HA VAL 18 -10.832 7.166 0.501
123 HB VAL 18 HB VAL 18 -9.610 5.951 2.380
124 HG11 VAL 18 HG11 VAL 18 -11.608 5.838 3.757
125 HG12 VAL 18 HG12 VAL 18 -11.777 7.188 2.631
126 HG13 VAL 18 HG13 VAL 18 -12.654 5.682 2.325
127 HG21 VAL 18 HG21 VAL 18 -9.738 3.608 1.464
128 HG22 VAL 18 HG22 VAL 18 -10.438 3.763 3.081
129 HG23 VAL 18 HG23 VAL 18 -11.495 3.646 1.658
130 HA PRO 19 HA PRO 19 -7.390 6.274 -2.336
131 HB2 PRO 19 HB2 PRO 19 -6.101 8.714 -2.227
132 HB3 PRO 19 HB3 PRO 19 -7.509 8.354 -3.256
133 HG2 PRO 19 HG2 PRO 19 -7.447 9.743 -0.578
134 HG3 PRO 19 HG3 PRO 19 -8.394 10.162 -2.030
135 HD2 PRO 19 HD2 PRO 19 -9.440 8.793 0.115
136 HD3 PRO 19 HD3 PRO 19 -10.004 8.510 -1.551
137 H SER 20 H SER 20 -5.824 4.954 -1.525
138 HA SER 20 HA SER 20 -4.205 5.906 0.767
139 HB2 SER 20 HB2 SER 20 -5.115 3.063 0.397
140 HB3 SER 20 HB3 SER 20 -4.177 3.766 1.701
141 HG SER 20 HG SER 20 -6.804 4.521 0.989
142 H TYR 21 H TYR 21 -2.197 4.003 0.792
143 HA TYR 21 HA TYR 21 -0.904 4.463 -1.877
144 HB2 TYR 21 HB2 TYR 21 0.023 4.723 0.929
145 HB3 TYR 21 HB3 TYR 21 1.180 4.165 -0.251
146 HD1 TYR 21 HD1 TYR 21 -0.932 6.986 0.788
147 HD2 TYR 21 HD2 TYR 21 2.106 5.667 -2.013
148 HE1 TYR 21 HE1 TYR 21 -0.466 9.313 0.198
149 HE2 TYR 21 HE2 TYR 21 2.442 7.981 -2.729
150 HH TYR 21 HH TYR 21 0.856 10.743 -1.058
151 H TYR 22 H TYR 22 0.030 2.903 -2.934
152 HA TYR 22 HA TYR 22 -0.126 0.087 -2.085
153 HB2 TYR 22 HB2 TYR 22 -1.208 1.151 -4.255
154 HB3 TYR 22 HB3 TYR 22 0.414 1.317 -4.840
155 HD1 TYR 22 HD1 TYR 22 1.830 -0.775 -5.247
156 HD2 TYR 22 HD2 TYR 22 -2.394 -0.872 -4.371
157 HE1 TYR 22 HE1 TYR 22 1.724 -3.043 -6.164
158 HE2 TYR 22 HE2 TYR 22 -2.496 -3.186 -5.328
159 HH TYR 22 HH TYR 22 0.318 -4.750 -6.839
160 H TYR 23 H TYR 23 1.789 -1.175 -2.351
161 HA TYR 23 HA TYR 23 4.342 0.404 -2.778
162 HB2 TYR 23 HB2 TYR 23 4.316 -0.272 -0.539
163 HB3 TYR 23 HB3 TYR 23 3.747 -1.898 -0.931
164 HD1 TYR 23 HD2 TYR 23 5.295 -3.575 -1.844
165 HD2 TYR 23 HD1 TYR 23 6.652 0.376 -0.765
166 HE1 TYR 23 HE2 TYR 23 7.635 -4.345 -1.858
167 HE2 TYR 23 HE1 TYR 23 8.995 -0.377 -0.920
168 HH TYR 23 HH TYR 23 10.466 -2.163 -1.524
169 H ASN 24 H ASN 24 5.779 -0.233 -4.327
170 HA ASN 24 HA ASN 24 5.201 -2.774 -5.770
171 HB2 ASN 24 HB2 ASN 24 5.963 -0.089 -6.978
172 HB3 ASN 24 HB3 ASN 24 5.922 -1.621 -7.840
173 HD21 ASN 24 HD21 ASN 24 4.039 1.098 -6.922
174 HD22 ASN 24 HD22 ASN 24 2.528 0.466 -7.556
175 H GLN 25 H GLN 25 6.883 -3.873 -4.581
176 HA GLN 25 HA GLN 25 9.518 -3.015 -4.188
177 HB2 GLN 25 HB2 GLN 25 10.166 -5.485 -4.438
178 HB3 GLN 25 HB3 GLN 25 9.083 -5.091 -3.154
179 HG2 GLN 25 HG2 GLN 25 8.049 -6.142 -5.837
180 HG3 GLN 25 HG3 GLN 25 8.606 -7.190 -4.547
181 HE21 GLN 25 HE21 GLN 25 5.740 -5.617 -5.717
182 HE22 GLN 25 HE22 GLN 25 4.901 -5.682 -4.200
183 H TYR 26 H TYR 26 8.060 -4.377 -7.115
184 HA TYR 26 HA TYR 26 10.300 -4.994 -8.615
185 HB2 TYR 26 HB2 TYR 26 7.740 -3.696 -9.595
186 HB3 TYR 26 HB3 TYR 26 8.831 -4.698 -10.530
187 HD1 TYR 26 HD2 TYR 26 9.294 -7.110 -9.106
188 HD2 TYR 26 HD1 TYR 26 5.711 -4.707 -9.026
189 HE1 TYR 26 HE2 TYR 26 7.981 -9.102 -8.429
190 HE2 TYR 26 HE1 TYR 26 4.401 -6.701 -8.348
191 HH TYR 26 HH TYR 26 5.777 -9.972 -8.061
192 H SER 27 H SER 27 8.914 -1.800 -7.931
193 HA SER 27 HA SER 27 11.035 -0.549 -9.570
194 HB2 SER 27 HB2 SER 27 8.503 -0.257 -10.115
195 HB3 SER 27 HB3 SER 27 8.457 0.780 -8.699
196 HG SER 27 HG SER 27 10.209 1.000 -10.932
197 H ASN 28 H ASN 28 10.658 -1.470 -6.472
198 HA ASN 28 HA ASN 28 11.280 -0.761 -4.466
199 HB2 ASN 28 HB2 ASN 28 13.440 -1.003 -5.580
200 HB3 ASN 28 HB3 ASN 28 13.319 0.581 -6.311
201 HD21 ASN 28 HD21 ASN 28 13.133 -0.540 -2.788
202 HD22 ASN 28 HD22 ASN 28 14.424 0.591 -2.367
203 H THR 29 H THR 29 9.039 0.658 -5.323
204 HA THR 29 HA THR 29 9.358 3.067 -3.778
205 HB THR 29 HB THR 29 10.077 3.801 -6.067
206 HG1 THR 29 HG1 THR 29 8.496 5.616 -6.009
207 HG21 THR 29 HG21 THR 29 8.528 2.488 -7.459
208 HG22 THR 29 HG22 THR 29 8.412 4.220 -7.785
209 HG23 THR 29 HG23 THR 29 7.150 3.425 -6.833
210 H CYS 30 H CYS 30 7.008 4.256 -4.280
211 HA CYS 30 HA CYS 30 4.860 2.284 -3.758
212 HB2 CYS 30 HB2 CYS 30 5.646 4.876 -2.386
213 HB3 CYS 30 HB3 CYS 30 4.125 4.079 -2.104
214 H HIS 31 H HIS 31 2.703 3.403 -4.076
215 HA HIS 31 HA HIS 31 2.739 5.910 -5.515
216 HB2 HIS 31 HB2 HIS 31 3.323 3.888 -7.139
217 HB3 HIS 31 HB3 HIS 31 1.624 3.487 -6.972
218 HD1 HIS 31 HD1 HIS 31 0.760 4.320 -9.402
219 HD2 HIS 31 HD2 HIS 31 3.252 7.000 -7.318
220 HE1 HIS 31 HE1 HIS 31 0.686 6.496 -10.692
221 H SER 32 H SER 32 0.671 6.927 -5.386
222 HA SER 32 HA SER 32 -1.117 5.834 -3.435
223 HB2 SER 32 HB2 SER 32 -2.530 7.721 -3.997
224 HB3 SER 32 HB3 SER 32 -0.854 8.229 -3.752
225 HG SER 32 HG SER 32 -2.128 7.772 -6.247
226 H PHE 33 H PHE 33 -3.086 4.777 -3.687
227 HA PHE 33 HA PHE 33 -4.137 4.181 -6.373
228 HB2 PHE 33 HB2 PHE 33 -4.119 1.894 -6.211
229 HB3 PHE 33 HB3 PHE 33 -2.529 2.318 -5.604
230 HD1 PHE 33 HD2 PHE 33 -2.437 2.599 -2.942
231 HD2 PHE 33 HD1 PHE 33 -5.440 0.340 -5.012
232 HE1 PHE 33 HE2 PHE 33 -2.937 1.301 -0.843
233 HE2 PHE 33 HE1 PHE 33 -6.009 -0.825 -2.932
234 HZ PHE 33 HZ PHE 33 -4.685 -0.342 -0.807
235 H THR 34 H THR 34 -6.333 2.675 -5.783
236 HA THR 34 HA THR 34 -7.832 4.405 -3.867
237 HB THR 34 HB THR 34 -9.833 3.549 -5.085
238 HG1 THR 34 HG1 THR 34 -9.440 1.876 -6.249
239 HG21 THR 34 HG21 THR 34 -7.772 4.953 -6.839
240 HG22 THR 34 HG22 THR 34 -8.758 5.729 -5.589
241 HG23 THR 34 HG23 THR 34 -9.538 5.007 -7.013
242 H TYR 35 H TYR 35 -8.472 3.588 -1.924
243 HA TYR 35 HA TYR 35 -8.499 0.650 -1.646
244 HB2 TYR 35 HB2 TYR 35 -6.661 1.604 -0.426
245 HB3 TYR 35 HB3 TYR 35 -7.734 2.727 0.399
246 HD1 TYR 35 HD1 TYR 35 -6.921 -0.905 -0.120
247 HD2 TYR 35 HD2 TYR 35 -8.465 2.099 2.587
248 HE1 TYR 35 HE1 TYR 35 -6.900 -2.520 1.704
249 HE2 TYR 35 HE2 TYR 35 -8.416 0.453 4.428
250 HH TYR 35 HH TYR 35 -8.254 -1.955 4.900
251 H SER 36 H SER 36 -9.881 0.013 0.264
252 HA SER 36 HA SER 36 -12.350 1.559 0.619
253 HB2 SER 36 HB2 SER 36 -12.040 -1.374 -0.187
254 HB3 SER 36 HB3 SER 36 -13.580 -0.576 0.136
255 HG SER 36 HG SER 36 -13.165 0.844 -1.573
256 H GLY 37 H GLY 37 -12.478 1.781 2.862
257 HA2 GLY 37 HA2 GLY 37 -10.641 0.787 4.674
258 HA3 GLY 37 HA3 GLY 37 -12.254 1.373 5.071
259 H CYS 38 H CYS 38 -13.653 -0.672 3.606
260 HA CYS 38 HA CYS 38 -13.825 -2.749 5.617
261 HB2 CYS 38 HB2 CYS 38 -15.640 -1.578 4.108
262 HB3 CYS 38 HB3 CYS 38 -15.098 -2.704 2.868
263 H GLY 39 H GLY 39 -12.813 -4.793 5.487
264 HA2 GLY 39 HA2 GLY 39 -11.707 -6.592 4.605
265 HA3 GLY 39 HA3 GLY 39 -12.112 -6.033 2.970
266 H GLY 40 H GLY 40 -10.322 -5.699 1.793
267 HA2 GLY 40 HA2 GLY 40 -8.276 -4.799 1.172
268 HA3 GLY 40 HA3 GLY 40 -8.308 -3.866 2.662
269 H ASN 41 H ASN 41 -5.864 -4.710 2.031
270 HA ASN 41 HA ASN 41 -5.292 -6.898 3.981
271 HB2 ASN 41 HB2 ASN 41 -4.119 -6.709 1.162
272 HB3 ASN 41 HB3 ASN 41 -3.285 -7.473 2.471
273 HD21 ASN 41 HD21 ASN 41 -6.764 -8.053 2.665
274 HD22 ASN 41 HD22 ASN 41 -6.627 -9.690 2.058
275 H ALA 42 H ALA 42 -2.915 -6.787 4.626
276 HA ALA 42 HA ALA 42 -2.386 -4.277 5.690
277 HB1 ALA 42 HB1 ALA 42 -0.292 -6.402 5.180
278 HB2 ALA 42 HB2 ALA 42 -0.340 -5.198 6.480
279 HB3 ALA 42 HB3 ALA 42 -1.535 -6.514 6.466
280 H ASN 43 H ASN 43 -1.712 -5.095 2.303
281 HA ASN 43 HA ASN 43 0.654 -3.452 2.206
282 HB2 ASN 43 HB2 ASN 43 0.814 -3.860 0.000
283 HB3 ASN 43 HB3 ASN 43 -0.083 -5.276 0.508
284 HD21 ASN 43 HD21 ASN 43 0.075 -3.021 -1.886
285 HD22 ASN 43 HD22 ASN 43 -1.595 -2.993 -2.372
286 H ARG 44 H ARG 44 -2.342 -2.341 3.014
287 HA ARG 44 HA ARG 44 -2.266 0.037 1.253
288 HB2 ARG 44 HB2 ARG 44 -4.460 -0.879 1.640
289 HB3 ARG 44 HB3 ARG 44 -4.226 -0.966 3.395
290 HG2 ARG 44 HG2 ARG 44 -3.902 1.695 2.050
291 HG3 ARG 44 HG3 ARG 44 -5.516 1.051 2.123
292 HD2 ARG 44 HD2 ARG 44 -5.467 0.912 4.557
293 HD3 ARG 44 HD3 ARG 44 -3.774 1.434 4.563
294 HE ARG 44 HE ARG 44 -5.618 3.242 3.208
295 HH11 ARG 44 HH11 ARG 44 -4.124 2.521 6.341
296 HH12 ARG 44 HH12 ARG 44 -4.116 4.159 6.900
297 HH21 ARG 44 HH21 ARG 44 -5.570 5.348 3.816
298 HH22 ARG 44 HH22 ARG 44 -5.050 5.850 5.398
299 H PHE 45 H PHE 45 -1.421 1.944 1.993
300 HA PHE 45 HA PHE 45 -0.779 2.226 4.887
301 HB2 PHE 45 HB2 PHE 45 1.052 3.398 2.832
302 HB3 PHE 45 HB3 PHE 45 1.410 2.930 4.474
303 HD1 PHE 45 HD1 PHE 45 1.070 0.185 4.909
304 HD2 PHE 45 HD2 PHE 45 1.586 2.096 1.126
305 HE1 PHE 45 HE1 PHE 45 1.753 -1.984 3.884
306 HE2 PHE 45 HE2 PHE 45 2.309 -0.021 0.119
307 HZ PHE 45 HZ PHE 45 2.468 -2.057 1.488
308 H ARG 46 H ARG 46 -0.063 4.741 5.129
309 HA ARG 46 HA ARG 46 -2.340 6.278 3.943
310 HB2 ARG 46 HB2 ARG 46 -1.916 7.795 5.994
311 HB3 ARG 46 HB3 ARG 46 -2.803 6.296 6.149
312 HG2 ARG 46 HG2 ARG 46 -1.268 6.691 8.040
313 HG3 ARG 46 HG3 ARG 46 -1.009 5.171 7.216
314 HD2 ARG 46 HD2 ARG 46 1.120 6.127 7.799
315 HD3 ARG 46 HD3 ARG 46 0.986 6.144 6.066
316 HE ARG 46 HE ARG 46 0.664 8.517 6.065
317 HH11 ARG 46 HH11 ARG 46 1.682 7.192 9.232
318 HH12 ARG 46 HH12 ARG 46 2.167 8.740 9.811
319 HH21 ARG 46 HH21 ARG 46 1.033 10.595 7.026
320 HH22 ARG 46 HH22 ARG 46 1.740 10.677 8.591
321 H THR 47 H THR 47 1.156 6.143 3.883
322 HA THR 47 HA THR 47 1.056 8.349 2.137
323 HB THR 47 HB THR 47 1.140 9.528 4.371
324 HG1 THR 47 HG1 THR 47 2.847 10.902 3.669
325 HG21 THR 47 HG21 THR 47 2.784 7.759 5.356
326 HG22 THR 47 HG22 THR 47 3.126 9.477 5.713
327 HG23 THR 47 HG23 THR 47 4.025 8.607 4.479
328 H ILE 48 H ILE 48 3.098 8.758 1.131
329 HA ILE 48 HA ILE 48 4.448 6.370 0.550
330 HB ILE 48 HB ILE 48 4.166 7.889 -1.176
331 HG12 ILE 48 HG12 ILE 48 7.129 7.804 -0.479
332 HG13 ILE 48 HG13 ILE 48 6.204 6.469 -1.108
333 HG21 ILE 48 HG21 ILE 48 4.097 10.048 0.105
334 HG22 ILE 48 HG22 ILE 48 5.864 9.961 0.297
335 HG23 ILE 48 HG23 ILE 48 5.136 10.145 -1.304
336 HD11 ILE 48 HD11 ILE 48 5.629 7.766 -3.141
337 HD12 ILE 48 HD12 ILE 48 6.664 9.094 -2.569
338 HD13 ILE 48 HD13 ILE 48 7.374 7.524 -2.956
339 H ASP 49 H ASP 49 5.091 9.078 2.738
340 HA ASP 49 HA ASP 49 7.875 8.578 3.155
341 HB2 ASP 49 HB2 ASP 49 6.780 10.674 3.724
342 HB3 ASP 49 HB3 ASP 49 5.858 9.848 4.993
343 H GLU 50 H GLU 50 4.967 7.033 4.545
344 HA GLU 50 HA GLU 50 6.404 5.751 6.697
345 HB2 GLU 50 HB2 GLU 50 4.034 6.662 6.789
346 HB3 GLU 50 HB3 GLU 50 3.567 5.433 5.606
347 HG2 GLU 50 HG2 GLU 50 2.949 4.442 7.586
348 HG3 GLU 50 HG3 GLU 50 4.568 3.754 7.392
349 H CYS 51 H CYS 51 4.835 4.984 3.513
350 HA CYS 51 HA CYS 51 5.316 2.233 3.703
351 HB2 CYS 51 HB2 CYS 51 4.544 2.084 1.487
352 HB3 CYS 51 HB3 CYS 51 3.727 3.526 2.135
353 H ASN 52 H ASN 52 7.265 4.878 2.278
354 HA ASN 52 HA ASN 52 9.140 3.048 1.175
355 HB2 ASN 52 HB2 ASN 52 10.164 4.776 0.128
356 HB3 ASN 52 HB3 ASN 52 8.592 5.463 0.364
357 HD21 ASN 52 HD21 ASN 52 8.487 7.347 1.483
358 HD22 ASN 52 HD22 ASN 52 9.884 8.219 2.106
359 H ARG 53 H ARG 53 9.303 5.252 3.967
360 HA ARG 53 HA ARG 53 11.778 4.316 4.868
361 HB2 ARG 53 HB2 ARG 53 11.436 5.317 6.906
362 HB3 ARG 53 HB3 ARG 53 10.389 6.215 5.803
363 HG2 ARG 53 HG2 ARG 53 8.446 4.866 6.664
364 HG3 ARG 53 HG3 ARG 53 9.520 4.122 7.849
365 HD2 ARG 53 HD2 ARG 53 8.813 7.081 7.640
366 HD3 ARG 53 HD3 ARG 53 8.279 5.928 8.878
367 HE ARG 53 HE ARG 53 11.101 5.886 8.822
368 HH11 ARG 53 HH11 ARG 53 8.471 7.987 9.968
369 HH12 ARG 53 HH12 ARG 53 9.474 8.781 11.144
370 HH21 ARG 53 HH21 ARG 53 12.428 7.109 10.065
371 HH22 ARG 53 HH22 ARG 53 11.789 8.102 11.354
372 H THR 54 H THR 54 8.773 2.504 5.104
373 HA THR 54 HA THR 54 10.098 0.599 6.937
374 HB THR 54 HB THR 54 7.836 1.629 7.423
375 HG1 THR 54 HG1 THR 54 8.070 -1.186 7.372
376 HG21 THR 54 HG21 THR 54 5.901 0.795 6.409
377 HG22 THR 54 HG22 THR 54 6.763 -0.573 5.633
378 HG23 THR 54 HG23 THR 54 6.952 1.082 5.030
379 H CYS 55 H CYS 55 9.538 0.872 3.534
380 HA CYS 55 HA CYS 55 10.130 -2.041 3.313
381 HB2 CYS 55 HB2 CYS 55 8.074 -0.551 1.639
382 HB3 CYS 55 HB3 CYS 55 8.557 -2.234 1.455
383 H VAL 56 H VAL 56 10.125 1.133 1.630
384 HA VAL 56 HA VAL 56 11.537 0.126 -0.663
385 HB VAL 56 HB VAL 56 11.171 2.890 0.470
386 HG11 VAL 56 HG11 VAL 56 12.429 2.205 -2.177
387 HG12 VAL 56 HG12 VAL 56 11.922 3.820 -1.645
388 HG13 VAL 56 HG13 VAL 56 13.224 2.997 -0.791
389 HG21 VAL 56 HG21 VAL 56 9.114 1.776 -0.499
390 HG22 VAL 56 HG22 VAL 56 9.629 3.143 -1.477
391 HG23 VAL 56 HG23 VAL 56 10.012 1.498 -2.003
392 H GLY 57 H GLY 57 13.458 -0.642 -0.635
393 HA2 GLY 57 HA2 GLY 57 15.333 -0.316 1.592
394 HA3 GLY 57 HA3 GLY 57 15.605 -1.236 0.096
Start of MODEL 8
1 H1 ARG 1 H ARG 1 12.226 -5.911 3.945
2 HA ARG 1 HA ARG 1 10.463 -4.572 2.940
3 HB2 ARG 1 HB2 ARG 1 9.607 -5.197 0.730
4 HB3 ARG 1 HB3 ARG 1 11.199 -4.502 0.758
5 HG2 ARG 1 HG2 ARG 1 11.722 -7.295 0.745
6 HG3 ARG 1 HG3 ARG 1 10.356 -7.058 -0.343
7 HD2 ARG 1 HD2 ARG 1 12.316 -6.809 -1.663
8 HD3 ARG 1 HD3 ARG 1 11.652 -5.192 -1.472
9 HE ARG 1 HE ARG 1 13.701 -5.942 0.523
10 HH11 ARG 1 HH11 ARG 1 13.301 -4.655 -2.763
11 HH12 ARG 1 HH12 ARG 1 14.848 -3.865 -2.748
12 HH21 ARG 1 HH21 ARG 1 15.631 -4.846 0.558
13 HH22 ARG 1 HH22 ARG 1 16.171 -3.955 -0.870
14 HA PRO 2 HA PRO 2 8.720 -7.974 5.230
15 HB2 PRO 2 HB2 PRO 2 6.594 -6.687 6.339
16 HB3 PRO 2 HB3 PRO 2 8.284 -6.419 6.877
17 HG2 PRO 2 HG2 PRO 2 6.679 -4.791 4.890
18 HG3 PRO 2 HG3 PRO 2 7.588 -4.175 6.312
19 HD2 PRO 2 HD2 PRO 2 8.717 -4.112 3.850
20 HD3 PRO 2 HD3 PRO 2 9.682 -4.598 5.276
21 H ARG 3 H ARG 3 7.242 -9.532 4.793
22 HA ARG 3 HA ARG 3 5.933 -9.671 2.361
23 HB2 ARG 3 HB2 ARG 3 5.144 -11.739 2.975
24 HB3 ARG 3 HB3 ARG 3 6.622 -11.555 3.880
25 HG2 ARG 3 HG2 ARG 3 3.766 -11.438 4.910
26 HG3 ARG 3 HG3 ARG 3 5.005 -12.643 5.268
27 HD2 ARG 3 HD2 ARG 3 4.962 -9.766 6.196
28 HD3 ARG 3 HD3 ARG 3 4.672 -11.206 7.187
29 HE ARG 3 HE ARG 3 7.103 -11.802 6.300
30 HH11 ARG 3 HH11 ARG 3 5.851 -9.189 8.240
31 HH12 ARG 3 HH12 ARG 3 7.357 -8.392 8.508
32 HH21 ARG 3 HH21 ARG 3 9.225 -10.832 6.652
33 HH22 ARG 3 HH22 ARG 3 9.316 -9.455 7.702
34 H PHE 4 H PHE 4 4.691 -7.912 5.072
35 HA PHE 4 HA PHE 4 1.903 -8.341 4.259
36 HB2 PHE 4 HB2 PHE 4 1.316 -6.895 6.019
37 HB3 PHE 4 HB3 PHE 4 2.532 -7.995 6.623
38 HD1 PHE 4 HD2 PHE 4 2.008 -4.547 5.274
39 HD2 PHE 4 HD1 PHE 4 4.390 -7.098 7.782
40 HE1 PHE 4 HE2 PHE 4 3.479 -2.609 5.915
41 HE2 PHE 4 HE1 PHE 4 5.721 -5.155 8.549
42 HZ PHE 4 HZ PHE 4 5.283 -2.911 7.568
43 H CYS 5 H CYS 5 4.597 -6.182 3.323
44 HA CYS 5 HA CYS 5 2.934 -4.055 2.350
45 HB2 CYS 5 HB2 CYS 5 5.593 -4.492 3.003
46 HB3 CYS 5 HB3 CYS 5 5.659 -4.515 1.250
47 H GLU 6 H GLU 6 3.929 -7.176 1.130
48 HA GLU 6 HA GLU 6 3.556 -6.386 -1.700
49 HB2 GLU 6 HB2 GLU 6 4.601 -8.439 -2.247
50 HB3 GLU 6 HB3 GLU 6 5.506 -7.638 -0.965
51 HG2 GLU 6 HG2 GLU 6 4.578 -9.105 0.684
52 HG3 GLU 6 HG3 GLU 6 3.645 -9.991 -0.537
53 H LEU 7 H LEU 7 1.275 -6.762 0.411
54 HA LEU 7 HA LEU 7 -0.151 -9.068 -0.732
55 HB2 LEU 7 HB2 LEU 7 -1.090 -6.968 1.255
56 HB3 LEU 7 HB3 LEU 7 -1.964 -8.442 0.788
57 HG LEU 7 HG LEU 7 0.636 -8.220 2.335
58 HD11 LEU 7 HD11 LEU 7 -1.556 -7.899 3.522
59 HD12 LEU 7 HD12 LEU 7 -0.591 -9.258 4.124
60 HD13 LEU 7 HD13 LEU 7 -1.995 -9.556 3.079
61 HD21 LEU 7 HD21 LEU 7 0.695 -10.629 2.543
62 HD22 LEU 7 HD22 LEU 7 0.968 -10.125 0.895
63 HD23 LEU 7 HD23 LEU 7 -0.627 -10.797 1.348
64 H ALA 8 H ALA 8 -2.362 -8.716 -1.473
65 HA ALA 8 HA ALA 8 -2.375 -6.546 -3.526
66 HB1 ALA 8 HB1 ALA 8 -4.002 -7.835 -4.754
67 HB2 ALA 8 HB2 ALA 8 -2.576 -8.839 -4.448
68 HB3 ALA 8 HB3 ALA 8 -4.065 -9.068 -3.494
69 HA PRO 9 HA PRO 9 -5.256 -5.014 -0.400
70 HB2 PRO 9 HB2 PRO 9 -6.034 -2.684 -1.612
71 HB3 PRO 9 HB3 PRO 9 -4.466 -2.893 -0.786
72 HG2 PRO 9 HG2 PRO 9 -5.076 -3.044 -3.745
73 HG3 PRO 9 HG3 PRO 9 -3.680 -2.266 -2.946
74 HD2 PRO 9 HD2 PRO 9 -3.572 -4.758 -4.085
75 HD3 PRO 9 HD3 PRO 9 -2.561 -4.285 -2.685
76 H SER 10 H SER 10 -6.979 -6.405 -0.433
77 HA SER 10 HA SER 10 -8.624 -6.791 -2.748
78 HB2 SER 10 HB2 SER 10 -7.934 -8.502 -0.984
79 HB3 SER 10 HB3 SER 10 -9.140 -7.762 0.080
80 HG SER 10 HG SER 10 -9.605 -8.932 -2.496
81 H ALA 11 H ALA 11 -8.809 -4.218 -2.599
82 HA ALA 11 HA ALA 11 -10.676 -3.026 -0.767
83 HB1 ALA 11 HB1 ALA 11 -10.724 -1.174 -2.393
84 HB2 ALA 11 HB2 ALA 11 -9.053 -1.713 -2.106
85 HB3 ALA 11 HB3 ALA 11 -9.907 -2.181 -3.602
86 H GLY 12 H GLY 12 -11.067 -4.895 -3.752
87 HA2 GLY 12 HA2 GLY 12 -13.681 -4.208 -4.477
88 HA3 GLY 12 HA3 GLY 12 -12.884 -5.757 -4.789
89 H SER 13 H SER 13 -12.618 -6.050 -1.663
90 HA SER 13 HA SER 13 -14.845 -7.702 -1.266
91 HB2 SER 13 HB2 SER 13 -12.816 -6.437 0.581
92 HB3 SER 13 HB3 SER 13 -13.968 -7.652 1.124
93 HG SER 13 HG SER 13 -12.045 -8.599 0.569
94 H CYS 14 H CYS 14 -14.675 -4.222 -0.875
95 HA CYS 14 HA CYS 14 -17.386 -4.126 0.297
96 HB2 CYS 14 HB2 CYS 14 -14.956 -2.701 1.448
97 HB3 CYS 14 HB3 CYS 14 -16.640 -2.443 1.920
98 H PHE 15 H PHE 15 -17.976 -1.546 0.331
99 HA PHE 15 HA PHE 15 -16.899 -0.376 -2.210
100 HB2 PHE 15 HB2 PHE 15 -19.139 -1.109 -2.727
101 HB3 PHE 15 HB3 PHE 15 -19.755 -0.501 -1.203
102 HD1 PHE 15 HD1 PHE 15 -20.035 2.008 -0.824
103 HD2 PHE 15 HD2 PHE 15 -18.905 0.400 -4.665
104 HE1 PHE 15 HE1 PHE 15 -20.389 4.198 -1.850
105 HE2 PHE 15 HE2 PHE 15 -19.347 2.583 -5.703
106 HZ PHE 15 HZ PHE 15 -20.025 4.520 -4.294
107 H ALA 16 H ALA 16 -15.595 1.188 -1.500
108 HA ALA 16 HA ALA 16 -16.690 3.311 0.034
109 HB1 ALA 16 HB1 ALA 16 -15.907 2.947 2.068
110 HB2 ALA 16 HB2 ALA 16 -15.372 1.344 1.561
111 HB3 ALA 16 HB3 ALA 16 -14.263 2.769 1.468
112 H PHE 17 H PHE 17 -15.120 5.172 0.069
113 HA PHE 17 HA PHE 17 -13.039 4.946 -2.060
114 HB2 PHE 17 HB2 PHE 17 -15.019 5.951 -3.002
115 HB3 PHE 17 HB3 PHE 17 -15.140 7.077 -1.648
116 HD1 PHE 17 HD2 PHE 17 -12.146 6.114 -3.755
117 HD2 PHE 17 HD1 PHE 17 -14.888 9.241 -2.596
118 HE1 PHE 17 HE2 PHE 17 -10.719 7.766 -4.882
119 HE2 PHE 17 HE1 PHE 17 -13.491 10.889 -3.810
120 HZ PHE 17 HZ PHE 17 -11.390 10.163 -4.929
121 H VAL 18 H VAL 18 -11.280 4.924 -0.803
122 HA VAL 18 HA VAL 18 -10.623 7.327 0.707
123 HB VAL 18 HB VAL 18 -9.570 5.853 2.504
124 HG11 VAL 18 HG11 VAL 18 -11.553 6.036 3.868
125 HG12 VAL 18 HG12 VAL 18 -11.529 7.401 2.736
126 HG13 VAL 18 HG13 VAL 18 -12.609 6.033 2.439
127 HG21 VAL 18 HG21 VAL 18 -10.776 3.782 3.087
128 HG22 VAL 18 HG22 VAL 18 -11.737 3.902 1.600
129 HG23 VAL 18 HG23 VAL 18 -9.986 3.604 1.517
130 HA PRO 19 HA PRO 19 -7.430 6.061 -2.314
131 HB2 PRO 19 HB2 PRO 19 -6.195 8.518 -2.597
132 HB3 PRO 19 HB3 PRO 19 -7.662 7.995 -3.490
133 HG2 PRO 19 HG2 PRO 19 -7.518 9.694 -0.990
134 HG3 PRO 19 HG3 PRO 19 -8.492 9.971 -2.468
135 HD2 PRO 19 HD2 PRO 19 -9.546 8.839 -0.241
136 HD3 PRO 19 HD3 PRO 19 -10.032 8.272 -1.876
137 H SER 20 H SER 20 -5.870 4.883 -1.392
138 HA SER 20 HA SER 20 -4.284 5.987 0.847
139 HB2 SER 20 HB2 SER 20 -5.265 3.157 0.581
140 HB3 SER 20 HB3 SER 20 -4.377 3.868 1.934
141 HG SER 20 HG SER 20 -6.966 4.545 0.954
142 H TYR 21 H TYR 21 -2.191 4.032 0.871
143 HA TYR 21 HA TYR 21 -0.883 4.558 -1.778
144 HB2 TYR 21 HB2 TYR 21 0.122 4.867 1.000
145 HB3 TYR 21 HB3 TYR 21 1.240 4.170 -0.152
146 HD1 TYR 21 HD2 TYR 21 2.087 5.465 -2.137
147 HD2 TYR 21 HD1 TYR 21 -0.621 7.173 0.777
148 HE1 TYR 21 HE2 TYR 21 2.442 7.706 -3.098
149 HE2 TYR 21 HE1 TYR 21 -0.174 9.396 -0.100
150 HH TYR 21 HH TYR 21 0.830 10.656 -1.966
151 H TYR 22 H TYR 22 0.205 3.073 -2.790
152 HA TYR 22 HA TYR 22 0.045 0.219 -1.964
153 HB2 TYR 22 HB2 TYR 22 -0.935 1.281 -4.343
154 HB3 TYR 22 HB3 TYR 22 0.751 1.264 -4.720
155 HD1 TYR 22 HD1 TYR 22 1.973 -0.806 -5.155
156 HD2 TYR 22 HD2 TYR 22 -2.231 -0.793 -4.169
157 HE1 TYR 22 HE1 TYR 22 1.787 -3.132 -5.931
158 HE2 TYR 22 HE2 TYR 22 -2.432 -3.077 -5.060
159 HH TYR 22 HH TYR 22 -1.296 -4.956 -5.991
160 H TYR 23 H TYR 23 1.953 -1.067 -2.555
161 HA TYR 23 HA TYR 23 4.566 0.373 -2.683
162 HB2 TYR 23 HB2 TYR 23 4.261 -0.596 -0.468
163 HB3 TYR 23 HB3 TYR 23 3.676 -2.095 -1.147
164 HD1 TYR 23 HD1 TYR 23 6.720 0.126 -1.212
165 HD2 TYR 23 HD2 TYR 23 5.177 -3.901 -1.445
166 HE1 TYR 23 HE1 TYR 23 9.024 -0.773 -1.203
167 HE2 TYR 23 HE2 TYR 23 7.485 -4.781 -1.402
168 HH TYR 23 HH TYR 23 10.275 -2.851 -0.807
169 H ASN 24 H ASN 24 5.719 -0.196 -4.506
170 HA ASN 24 HA ASN 24 5.043 -2.791 -5.873
171 HB2 ASN 24 HB2 ASN 24 5.706 -0.087 -7.083
172 HB3 ASN 24 HB3 ASN 24 5.999 -1.577 -7.950
173 HD21 ASN 24 HD21 ASN 24 3.785 -3.199 -7.727
174 HD22 ASN 24 HD22 ASN 24 2.443 -2.299 -8.394
175 H GLN 25 H GLN 25 6.654 -3.998 -4.815
176 HA GLN 25 HA GLN 25 9.326 -3.204 -4.404
177 HB2 GLN 25 HB2 GLN 25 9.882 -5.690 -4.509
178 HB3 GLN 25 HB3 GLN 25 8.784 -5.162 -3.266
179 HG2 GLN 25 HG2 GLN 25 7.748 -6.335 -5.888
180 HG3 GLN 25 HG3 GLN 25 8.290 -7.341 -4.542
181 HE21 GLN 25 HE21 GLN 25 5.484 -5.592 -5.723
182 HE22 GLN 25 HE22 GLN 25 4.645 -5.689 -4.208
183 H TYR 26 H TYR 26 7.790 -4.274 -7.374
184 HA TYR 26 HA TYR 26 9.961 -5.110 -8.913
185 HB2 TYR 26 HB2 TYR 26 7.449 -3.568 -9.709
186 HB3 TYR 26 HB3 TYR 26 8.526 -4.367 -10.836
187 HD1 TYR 26 HD2 TYR 26 8.687 -6.816 -10.964
188 HD2 TYR 26 HD1 TYR 26 5.895 -4.894 -8.298
189 HE1 TYR 26 HE2 TYR 26 7.463 -8.942 -10.718
190 HE2 TYR 26 HE1 TYR 26 4.660 -7.052 -8.050
191 HH TYR 26 HH TYR 26 5.242 -9.725 -10.172
192 H SER 27 H SER 27 8.816 -1.810 -8.211
193 HA SER 27 HA SER 27 11.153 -0.663 -9.676
194 HB2 SER 27 HB2 SER 27 8.865 -0.124 -10.504
195 HB3 SER 27 HB3 SER 27 8.477 0.560 -8.919
196 HG SER 27 HG SER 27 9.086 2.136 -10.406
197 H ASN 28 H ASN 28 10.253 -1.625 -6.654
198 HA ASN 28 HA ASN 28 10.593 -1.105 -4.549
199 HB2 ASN 28 HB2 ASN 28 12.842 -1.766 -5.477
200 HB3 ASN 28 HB3 ASN 28 13.228 -0.047 -5.572
201 HD21 ASN 28 HD21 ASN 28 14.391 0.561 -3.879
202 HD22 ASN 28 HD22 ASN 28 14.463 -0.189 -2.281
203 H THR 29 H THR 29 8.800 0.497 -5.157
204 HA THR 29 HA THR 29 9.376 2.949 -3.810
205 HB THR 29 HB THR 29 10.067 3.375 -6.208
206 HG1 THR 29 HG1 THR 29 9.726 5.301 -5.696
207 HG21 THR 29 HG21 THR 29 8.182 2.174 -7.340
208 HG22 THR 29 HG22 THR 29 8.399 3.848 -7.880
209 HG23 THR 29 HG23 THR 29 7.078 3.448 -6.775
210 H CYS 30 H CYS 30 7.105 4.263 -4.085
211 HA CYS 30 HA CYS 30 4.844 2.354 -3.702
212 HB2 CYS 30 HB2 CYS 30 5.509 4.826 -2.137
213 HB3 CYS 30 HB3 CYS 30 4.137 3.778 -1.817
214 H HIS 31 H HIS 31 2.726 3.385 -4.112
215 HA HIS 31 HA HIS 31 2.741 6.039 -5.387
216 HB2 HIS 31 HB2 HIS 31 3.273 4.009 -7.034
217 HB3 HIS 31 HB3 HIS 31 1.551 3.683 -6.896
218 HD1 HIS 31 HD1 HIS 31 0.582 4.643 -9.178
219 HD2 HIS 31 HD2 HIS 31 3.532 7.001 -7.320
220 HE1 HIS 31 HE1 HIS 31 0.966 6.618 -10.719
221 H SER 32 H SER 32 0.586 7.009 -5.302
222 HA SER 32 HA SER 32 -1.104 5.849 -3.306
223 HB2 SER 32 HB2 SER 32 -2.579 7.737 -4.003
224 HB3 SER 32 HB3 SER 32 -0.970 8.202 -3.418
225 HG SER 32 HG SER 32 -1.648 9.227 -5.464
226 H PHE 33 H PHE 33 -3.064 4.812 -3.555
227 HA PHE 33 HA PHE 33 -4.146 4.310 -6.238
228 HB2 PHE 33 HB2 PHE 33 -4.148 2.011 -6.190
229 HB3 PHE 33 HB3 PHE 33 -2.537 2.411 -5.611
230 HD1 PHE 33 HD2 PHE 33 -2.158 2.367 -3.138
231 HD2 PHE 33 HD1 PHE 33 -5.701 0.738 -4.837
232 HE1 PHE 33 HE2 PHE 33 -2.303 0.643 -1.283
233 HE2 PHE 33 HE1 PHE 33 -6.153 -0.505 -2.746
234 HZ PHE 33 HZ PHE 33 -4.395 -0.424 -0.856
235 H THR 34 H THR 34 -6.159 2.735 -5.652
236 HA THR 34 HA THR 34 -7.821 4.407 -3.765
237 HB THR 34 HB THR 34 -9.778 3.433 -5.049
238 HG1 THR 34 HG1 THR 34 -9.454 2.354 -6.732
239 HG21 THR 34 HG21 THR 34 -9.040 5.770 -5.291
240 HG22 THR 34 HG22 THR 34 -9.578 5.108 -6.841
241 HG23 THR 34 HG23 THR 34 -7.846 5.286 -6.505
242 H TYR 35 H TYR 35 -8.501 3.596 -1.856
243 HA TYR 35 HA TYR 35 -8.662 0.653 -1.571
244 HB2 TYR 35 HB2 TYR 35 -6.772 1.777 -0.383
245 HB3 TYR 35 HB3 TYR 35 -7.953 2.586 0.625
246 HD1 TYR 35 HD1 TYR 35 -6.837 -0.818 -0.552
247 HD2 TYR 35 HD2 TYR 35 -8.552 1.517 2.649
248 HE1 TYR 35 HE1 TYR 35 -6.384 -2.651 1.032
249 HE2 TYR 35 HE2 TYR 35 -8.189 -0.368 4.212
250 HH TYR 35 HH TYR 35 -6.779 -2.258 4.515
251 H SER 36 H SER 36 -10.149 0.150 0.570
252 HA SER 36 HA SER 36 -12.460 1.981 0.618
253 HB2 SER 36 HB2 SER 36 -12.531 -1.025 0.190
254 HB3 SER 36 HB3 SER 36 -13.945 -0.012 0.484
255 HG SER 36 HG SER 36 -13.157 1.251 -1.416
256 H GLY 37 H GLY 37 -14.052 0.975 2.505
257 HA2 GLY 37 HA2 GLY 37 -12.677 1.464 4.960
258 HA3 GLY 37 HA3 GLY 37 -14.375 1.026 4.735
259 H CYS 38 H CYS 38 -14.963 -1.254 4.584
260 HA CYS 38 HA CYS 38 -13.127 -2.929 6.130
261 HB2 CYS 38 HB2 CYS 38 -14.848 -4.652 5.900
262 HB3 CYS 38 HB3 CYS 38 -15.441 -3.144 6.548
263 H GLY 39 H GLY 39 -12.918 -5.364 5.089
264 HA2 GLY 39 HA2 GLY 39 -12.000 -6.622 3.345
265 HA3 GLY 39 HA3 GLY 39 -12.464 -5.318 2.234
266 H GLY 40 H GLY 40 -10.403 -5.558 1.184
267 HA2 GLY 40 HA2 GLY 40 -8.318 -4.728 0.725
268 HA3 GLY 40 HA3 GLY 40 -8.502 -3.714 2.143
269 H ASN 41 H ASN 41 -5.992 -4.601 1.638
270 HA ASN 41 HA ASN 41 -5.530 -6.638 3.747
271 HB2 ASN 41 HB2 ASN 41 -4.238 -6.613 1.001
272 HB3 ASN 41 HB3 ASN 41 -3.617 -7.524 2.362
273 HD21 ASN 41 HD21 ASN 41 -4.526 -9.537 2.893
274 HD22 ASN 41 HD22 ASN 41 -5.847 -10.203 1.939
275 H ALA 42 H ALA 42 -3.182 -6.677 4.480
276 HA ALA 42 HA ALA 42 -2.494 -4.307 5.595
277 HB1 ALA 42 HB1 ALA 42 -0.489 -5.398 6.333
278 HB2 ALA 42 HB2 ALA 42 -1.824 -6.575 6.346
279 HB3 ALA 42 HB3 ALA 42 -0.611 -6.594 5.029
280 H ASN 43 H ASN 43 -1.844 -5.040 2.256
281 HA ASN 43 HA ASN 43 0.601 -3.559 1.964
282 HB2 ASN 43 HB2 ASN 43 0.286 -4.630 0.012
283 HB3 ASN 43 HB3 ASN 43 -1.443 -4.798 0.251
284 HD21 ASN 43 HD21 ASN 43 0.660 -3.596 -2.018
285 HD22 ASN 43 HD22 ASN 43 -0.474 -2.455 -2.653
286 H ARG 44 H ARG 44 -2.616 -2.522 2.810
287 HA ARG 44 HA ARG 44 -2.540 0.004 1.605
288 HB2 ARG 44 HB2 ARG 44 -4.579 -1.139 2.528
289 HB3 ARG 44 HB3 ARG 44 -4.007 -0.823 4.159
290 HG2 ARG 44 HG2 ARG 44 -3.923 1.722 2.932
291 HG3 ARG 44 HG3 ARG 44 -5.344 0.968 2.229
292 HD2 ARG 44 HD2 ARG 44 -6.089 0.574 4.655
293 HD3 ARG 44 HD3 ARG 44 -4.691 1.531 5.138
294 HE ARG 44 HE ARG 44 -6.050 3.006 3.184
295 HH11 ARG 44 HH11 ARG 44 -6.590 1.915 6.519
296 HH12 ARG 44 HH12 ARG 44 -7.817 3.066 6.875
297 HH21 ARG 44 HH21 ARG 44 -7.543 4.665 3.678
298 HH22 ARG 44 HH22 ARG 44 -8.479 4.590 5.152
299 H PHE 45 H PHE 45 -1.563 1.839 2.117
300 HA PHE 45 HA PHE 45 -0.613 2.347 4.854
301 HB2 PHE 45 HB2 PHE 45 0.989 2.230 2.326
302 HB3 PHE 45 HB3 PHE 45 1.313 3.595 3.385
303 HD1 PHE 45 HD2 PHE 45 0.742 -0.147 3.691
304 HD2 PHE 45 HD1 PHE 45 2.922 3.308 5.047
305 HE1 PHE 45 HE2 PHE 45 1.688 -1.484 5.483
306 HE2 PHE 45 HE1 PHE 45 3.983 1.917 6.818
307 HZ PHE 45 HZ PHE 45 3.350 -0.468 7.071
308 H ARG 46 H ARG 46 -0.140 4.732 5.177
309 HA ARG 46 HA ARG 46 -2.357 6.283 3.915
310 HB2 ARG 46 HB2 ARG 46 -1.868 7.851 5.963
311 HB3 ARG 46 HB3 ARG 46 -2.908 6.451 6.070
312 HG2 ARG 46 HG2 ARG 46 -1.473 6.712 8.040
313 HG3 ARG 46 HG3 ARG 46 -1.309 5.172 7.242
314 HD2 ARG 46 HD2 ARG 46 0.859 5.830 7.935
315 HD3 ARG 46 HD3 ARG 46 0.856 5.988 6.203
316 HE ARG 46 HE ARG 46 0.866 8.324 6.335
317 HH11 ARG 46 HH11 ARG 46 1.280 6.749 9.575
318 HH12 ARG 46 HH12 ARG 46 2.133 8.098 10.204
319 HH21 ARG 46 HH21 ARG 46 1.674 10.218 7.410
320 HH22 ARG 46 HH22 ARG 46 2.492 10.041 8.927
321 H THR 47 H THR 47 1.109 6.087 3.957
322 HA THR 47 HA THR 47 1.112 8.307 2.195
323 HB THR 47 HB THR 47 1.266 9.436 4.432
324 HG1 THR 47 HG1 THR 47 2.193 10.646 2.930
325 HG21 THR 47 HG21 THR 47 4.053 8.251 4.601
326 HG22 THR 47 HG22 THR 47 2.720 7.513 5.449
327 HG23 THR 47 HG23 THR 47 3.209 9.195 5.816
328 H ILE 48 H ILE 48 3.054 8.505 1.008
329 HA ILE 48 HA ILE 48 4.392 6.043 0.456
330 HB ILE 48 HB ILE 48 4.107 7.575 -1.284
331 HG12 ILE 48 HG12 ILE 48 7.052 7.805 -0.590
332 HG13 ILE 48 HG13 ILE 48 6.291 6.338 -1.118
333 HG21 ILE 48 HG21 ILE 48 5.579 9.751 0.268
334 HG22 ILE 48 HG22 ILE 48 4.977 9.886 -1.388
335 HG23 ILE 48 HG23 ILE 48 3.834 9.732 -0.086
336 HD11 ILE 48 HD11 ILE 48 6.467 8.903 -2.743
337 HD12 ILE 48 HD12 ILE 48 7.220 7.336 -3.095
338 HD13 ILE 48 HD13 ILE 48 5.470 7.498 -3.187
339 H ASP 49 H ASP 49 4.985 8.765 2.628
340 HA ASP 49 HA ASP 49 7.762 8.441 3.007
341 HB2 ASP 49 HB2 ASP 49 5.694 10.084 4.024
342 HB3 ASP 49 HB3 ASP 49 6.416 9.284 5.431
343 H GLU 50 H GLU 50 4.995 6.747 4.485
344 HA GLU 50 HA GLU 50 6.620 5.379 6.477
345 HB2 GLU 50 HB2 GLU 50 3.691 5.367 5.667
346 HB3 GLU 50 HB3 GLU 50 4.360 4.190 6.792
347 HG2 GLU 50 HG2 GLU 50 4.437 7.201 7.214
348 HG3 GLU 50 HG3 GLU 50 3.248 6.089 7.912
349 H CYS 51 H CYS 51 4.751 4.773 3.453
350 HA CYS 51 HA CYS 51 5.187 2.030 3.314
351 HB2 CYS 51 HB2 CYS 51 3.548 3.046 1.934
352 HB3 CYS 51 HB3 CYS 51 4.718 4.151 1.204
353 H ASN 52 H ASN 52 7.177 4.677 1.915
354 HA ASN 52 HA ASN 52 9.018 2.846 0.804
355 HB2 ASN 52 HB2 ASN 52 10.087 4.571 -0.165
356 HB3 ASN 52 HB3 ASN 52 8.546 5.317 0.083
357 HD21 ASN 52 HD21 ASN 52 8.466 7.137 1.383
358 HD22 ASN 52 HD22 ASN 52 9.927 7.922 2.012
359 H ARG 53 H ARG 53 9.287 5.008 3.671
360 HA ARG 53 HA ARG 53 11.725 3.919 4.415
361 HB2 ARG 53 HB2 ARG 53 11.582 4.981 6.476
362 HB3 ARG 53 HB3 ARG 53 10.493 5.928 5.436
363 HG2 ARG 53 HG2 ARG 53 8.571 4.687 6.419
364 HG3 ARG 53 HG3 ARG 53 9.666 3.802 7.473
365 HD2 ARG 53 HD2 ARG 53 8.583 5.633 8.669
366 HD3 ARG 53 HD3 ARG 53 10.351 5.826 8.608
367 HE ARG 53 HE ARG 53 9.122 7.235 6.452
368 HH11 ARG 53 HH11 ARG 53 9.277 7.360 10.004
369 HH12 ARG 53 HH12 ARG 53 9.268 9.078 10.106
370 HH21 ARG 53 HH21 ARG 53 9.163 9.634 6.600
371 HH22 ARG 53 HH22 ARG 53 9.208 10.381 8.131
372 H THR 54 H THR 54 8.664 2.305 4.826
373 HA THR 54 HA THR 54 9.901 0.325 6.597
374 HB THR 54 HB THR 54 7.644 1.628 6.845
375 HG1 THR 54 HG1 THR 54 8.596 0.266 8.260
376 HG21 THR 54 HG21 THR 54 5.706 0.571 6.125
377 HG22 THR 54 HG22 THR 54 6.543 -0.915 5.631
378 HG23 THR 54 HG23 THR 54 6.712 0.591 4.677
379 H CYS 55 H CYS 55 9.308 0.537 3.174
380 HA CYS 55 HA CYS 55 9.860 -2.396 3.022
381 HB2 CYS 55 HB2 CYS 55 7.799 -1.003 1.303
382 HB3 CYS 55 HB3 CYS 55 8.153 -2.736 1.370
383 H VAL 56 H VAL 56 10.334 0.745 1.658
384 HA VAL 56 HA VAL 56 11.509 -0.298 -0.870
385 HB VAL 56 HB VAL 56 11.213 2.498 0.251
386 HG11 VAL 56 HG11 VAL 56 12.487 1.794 -2.361
387 HG12 VAL 56 HG12 VAL 56 11.955 3.406 -1.853
388 HG13 VAL 56 HG13 VAL 56 13.255 2.599 -0.972
389 HG21 VAL 56 HG21 VAL 56 9.651 2.771 -1.633
390 HG22 VAL 56 HG22 VAL 56 10.027 1.132 -2.200
391 HG23 VAL 56 HG23 VAL 56 9.152 1.378 -0.682
392 H GLY 57 H GLY 57 13.217 -1.578 -0.305
393 HA2 GLY 57 HA2 GLY 57 15.080 -0.874 1.809
394 HA3 GLY 57 HA3 GLY 57 15.262 -2.186 0.635
Start of MODEL 9
1 H1 ARG 1 H ARG 1 12.809 -4.585 3.016
2 HA ARG 1 HA ARG 1 10.513 -4.136 3.245
3 HB2 ARG 1 HB2 ARG 1 9.563 -4.863 1.097
4 HB3 ARG 1 HB3 ARG 1 11.159 -4.151 1.006
5 HG2 ARG 1 HG2 ARG 1 11.579 -6.988 1.092
6 HG3 ARG 1 HG3 ARG 1 10.247 -6.673 0.004
7 HD2 ARG 1 HD2 ARG 1 12.253 -6.591 -1.280
8 HD3 ARG 1 HD3 ARG 1 11.594 -4.968 -1.201
9 HE ARG 1 HE ARG 1 13.685 -5.624 0.803
10 HH11 ARG 1 HH11 ARG 1 13.065 -4.375 -2.466
11 HH12 ARG 1 HH12 ARG 1 14.687 -3.815 -2.691
12 HH21 ARG 1 HH21 ARG 1 15.726 -4.642 0.606
13 HH22 ARG 1 HH22 ARG 1 16.172 -3.817 -0.876
14 HA PRO 2 HA PRO 2 8.742 -7.476 5.555
15 HB2 PRO 2 HB2 PRO 2 6.543 -6.220 6.500
16 HB3 PRO 2 HB3 PRO 2 8.170 -5.875 7.135
17 HG2 PRO 2 HG2 PRO 2 6.646 -4.351 5.007
18 HG3 PRO 2 HG3 PRO 2 7.475 -3.655 6.437
19 HD2 PRO 2 HD2 PRO 2 8.702 -3.694 4.032
20 HD3 PRO 2 HD3 PRO 2 9.614 -4.073 5.524
21 H ARG 3 H ARG 3 7.443 -9.058 4.798
22 HA ARG 3 HA ARG 3 6.242 -8.932 2.264
23 HB2 ARG 3 HB2 ARG 3 5.474 -11.133 2.597
24 HB3 ARG 3 HB3 ARG 3 6.988 -10.982 3.483
25 HG2 ARG 3 HG2 ARG 3 5.783 -12.078 5.080
26 HG3 ARG 3 HG3 ARG 3 5.327 -10.432 5.527
27 HD2 ARG 3 HD2 ARG 3 3.258 -10.741 4.017
28 HD3 ARG 3 HD3 ARG 3 3.769 -12.421 3.819
29 HE ARG 3 HE ARG 3 3.554 -11.497 6.596
30 HH11 ARG 3 HH11 ARG 3 1.729 -13.048 3.880
31 HH12 ARG 3 HH12 ARG 3 0.652 -13.829 4.986
32 HH21 ARG 3 HH21 ARG 3 2.084 -12.602 7.970
33 HH22 ARG 3 HH22 ARG 3 1.121 -13.859 7.295
34 H PHE 4 H PHE 4 4.785 -7.719 5.228
35 HA PHE 4 HA PHE 4 2.069 -8.126 4.326
36 HB2 PHE 4 HB2 PHE 4 1.384 -6.722 6.048
37 HB3 PHE 4 HB3 PHE 4 2.756 -7.606 6.687
38 HD1 PHE 4 HD2 PHE 4 1.739 -4.331 5.155
39 HD2 PHE 4 HD1 PHE 4 4.554 -6.397 7.685
40 HE1 PHE 4 HE2 PHE 4 2.716 -2.186 5.797
41 HE2 PHE 4 HE1 PHE 4 5.627 -4.235 8.240
42 HZ PHE 4 HZ PHE 4 4.712 -2.107 7.320
43 H CYS 5 H CYS 5 4.607 -5.879 3.396
44 HA CYS 5 HA CYS 5 2.940 -3.857 2.243
45 HB2 CYS 5 HB2 CYS 5 5.584 -4.233 3.010
46 HB3 CYS 5 HB3 CYS 5 5.729 -4.325 1.275
47 H GLU 6 H GLU 6 4.038 -7.054 1.194
48 HA GLU 6 HA GLU 6 3.633 -6.367 -1.643
49 HB2 GLU 6 HB2 GLU 6 4.834 -8.201 -2.240
50 HB3 GLU 6 HB3 GLU 6 5.607 -7.709 -0.752
51 HG2 GLU 6 HG2 GLU 6 4.007 -9.557 0.301
52 HG3 GLU 6 HG3 GLU 6 3.834 -10.098 -1.347
53 H LEU 7 H LEU 7 1.392 -6.959 0.616
54 HA LEU 7 HA LEU 7 -0.047 -9.166 -0.596
55 HB2 LEU 7 HB2 LEU 7 -0.989 -7.032 1.344
56 HB3 LEU 7 HB3 LEU 7 -1.825 -8.552 0.970
57 HG LEU 7 HG LEU 7 0.786 -8.177 2.466
58 HD11 LEU 7 HD11 LEU 7 -0.404 -9.049 4.332
59 HD12 LEU 7 HD12 LEU 7 -1.787 -9.544 3.330
60 HD13 LEU 7 HD13 LEU 7 -1.462 -7.828 3.599
61 HD21 LEU 7 HD21 LEU 7 -0.469 -10.830 1.741
62 HD22 LEU 7 HD22 LEU 7 0.896 -10.573 2.850
63 HD23 LEU 7 HD23 LEU 7 1.092 -10.201 1.142
64 H ALA 8 H ALA 8 -2.328 -8.804 -1.260
65 HA ALA 8 HA ALA 8 -2.409 -6.703 -3.340
66 HB1 ALA 8 HB1 ALA 8 -3.902 -8.018 -4.500
67 HB2 ALA 8 HB2 ALA 8 -2.683 -9.143 -3.892
68 HB3 ALA 8 HB3 ALA 8 -4.281 -9.049 -3.110
69 HA PRO 9 HA PRO 9 -5.367 -4.918 -0.333
70 HB2 PRO 9 HB2 PRO 9 -5.105 -2.328 -0.958
71 HB3 PRO 9 HB3 PRO 9 -3.775 -3.215 -0.170
72 HG2 PRO 9 HG2 PRO 9 -4.143 -2.652 -3.143
73 HG3 PRO 9 HG3 PRO 9 -2.681 -2.383 -2.135
74 HD2 PRO 9 HD2 PRO 9 -3.083 -4.647 -3.649
75 HD3 PRO 9 HD3 PRO 9 -2.156 -4.621 -2.126
76 H SER 10 H SER 10 -6.808 -6.271 -1.747
77 HA SER 10 HA SER 10 -8.216 -5.180 -3.940
78 HB2 SER 10 HB2 SER 10 -7.858 -7.600 -3.038
79 HB3 SER 10 HB3 SER 10 -9.349 -7.326 -2.136
80 HG SER 10 HG SER 10 -9.524 -8.294 -4.276
81 H ALA 11 H ALA 11 -9.111 -3.161 -3.549
82 HA ALA 11 HA ALA 11 -10.507 -2.426 -1.175
83 HB1 ALA 11 HB1 ALA 11 -11.158 -0.435 -2.494
84 HB2 ALA 11 HB2 ALA 11 -9.442 -0.836 -2.745
85 HB3 ALA 11 HB3 ALA 11 -10.639 -1.241 -3.983
86 H GLY 12 H GLY 12 -11.592 -4.443 -3.745
87 HA2 GLY 12 HA2 GLY 12 -14.382 -3.619 -3.636
88 HA3 GLY 12 HA3 GLY 12 -13.722 -5.005 -4.497
89 H SER 13 H SER 13 -12.486 -5.577 -1.554
90 HA SER 13 HA SER 13 -14.340 -7.611 -0.907
91 HB2 SER 13 HB2 SER 13 -12.154 -6.345 0.766
92 HB3 SER 13 HB3 SER 13 -12.862 -7.959 1.015
93 HG SER 13 HG SER 13 -10.796 -7.753 -0.253
94 H CYS 14 H CYS 14 -14.642 -4.274 -0.250
95 HA CYS 14 HA CYS 14 -17.037 -4.626 1.354
96 HB2 CYS 14 HB2 CYS 14 -15.238 -4.489 3.118
97 HB3 CYS 14 HB3 CYS 14 -14.604 -3.056 2.287
98 H PHE 15 H PHE 15 -18.392 -2.786 0.585
99 HA PHE 15 HA PHE 15 -17.043 -1.277 -1.541
100 HB2 PHE 15 HB2 PHE 15 -19.287 -2.199 -1.842
101 HB3 PHE 15 HB3 PHE 15 -19.892 -1.231 -0.516
102 HD1 PHE 15 HD1 PHE 15 -19.848 1.382 -0.745
103 HD2 PHE 15 HD2 PHE 15 -19.296 -1.346 -4.049
104 HE1 PHE 15 HE1 PHE 15 -20.384 3.179 -2.313
105 HE2 PHE 15 HE2 PHE 15 -19.981 0.446 -5.620
106 HZ PHE 15 HZ PHE 15 -20.521 2.708 -4.768
107 H ALA 16 H ALA 16 -15.757 0.328 -0.925
108 HA ALA 16 HA ALA 16 -16.816 2.609 0.419
109 HB1 ALA 16 HB1 ALA 16 -14.935 2.784 2.075
110 HB2 ALA 16 HB2 ALA 16 -16.105 1.499 2.439
111 HB3 ALA 16 HB3 ALA 16 -14.546 1.090 1.724
112 H PHE 17 H PHE 17 -15.379 4.454 -0.018
113 HA PHE 17 HA PHE 17 -13.289 3.905 -2.074
114 HB2 PHE 17 HB2 PHE 17 -15.385 4.482 -3.154
115 HB3 PHE 17 HB3 PHE 17 -15.479 5.986 -2.238
116 HD1 PHE 17 HD2 PHE 17 -12.480 4.444 -3.994
117 HD2 PHE 17 HD1 PHE 17 -15.384 7.652 -3.939
118 HE1 PHE 17 HE2 PHE 17 -11.241 5.619 -5.761
119 HE2 PHE 17 HE1 PHE 17 -14.112 8.800 -5.734
120 HZ PHE 17 HZ PHE 17 -12.032 7.806 -6.624
121 H VAL 18 H VAL 18 -11.482 4.371 -0.916
122 HA VAL 18 HA VAL 18 -11.151 7.162 -0.028
123 HB VAL 18 HB VAL 18 -9.888 6.252 1.989
124 HG11 VAL 18 HG11 VAL 18 -11.901 6.216 3.365
125 HG12 VAL 18 HG12 VAL 18 -12.089 7.432 2.092
126 HG13 VAL 18 HG13 VAL 18 -12.919 5.871 1.956
127 HG21 VAL 18 HG21 VAL 18 -9.851 3.830 1.422
128 HG22 VAL 18 HG22 VAL 18 -10.697 4.115 2.947
129 HG23 VAL 18 HG23 VAL 18 -11.624 3.791 1.471
130 HA PRO 19 HA PRO 19 -7.621 6.117 -2.656
131 HB2 PRO 19 HB2 PRO 19 -6.246 8.528 -2.491
132 HB3 PRO 19 HB3 PRO 19 -7.554 8.187 -3.640
133 HG2 PRO 19 HG2 PRO 19 -7.659 9.713 -1.058
134 HG3 PRO 19 HG3 PRO 19 -8.571 9.993 -2.573
135 HD2 PRO 19 HD2 PRO 19 -9.624 8.767 -0.318
136 HD3 PRO 19 HD3 PRO 19 -10.209 8.450 -1.980
137 H SER 20 H SER 20 -5.874 4.991 -1.898
138 HA SER 20 HA SER 20 -4.509 5.995 0.549
139 HB2 SER 20 HB2 SER 20 -6.319 4.328 1.018
140 HB3 SER 20 HB3 SER 20 -5.385 3.188 0.048
141 HG SER 20 HG SER 20 -4.186 4.444 2.287
142 H TYR 21 H TYR 21 -2.394 4.190 0.697
143 HA TYR 21 HA TYR 21 -1.097 4.611 -1.968
144 HB2 TYR 21 HB2 TYR 21 -0.312 5.027 0.851
145 HB3 TYR 21 HB3 TYR 21 0.851 4.384 -0.231
146 HD1 TYR 21 HD2 TYR 21 1.859 5.833 -2.180
147 HD2 TYR 21 HD1 TYR 21 -1.028 7.298 0.721
148 HE1 TYR 21 HE2 TYR 21 2.381 8.085 -2.830
149 HE2 TYR 21 HE1 TYR 21 -0.372 9.606 0.174
150 HH TYR 21 HH TYR 21 1.181 10.921 -0.954
151 H TYR 22 H TYR 22 -0.124 3.044 -3.050
152 HA TYR 22 HA TYR 22 -0.172 0.250 -1.998
153 HB2 TYR 22 HB2 TYR 22 -1.308 1.158 -4.218
154 HB3 TYR 22 HB3 TYR 22 0.286 1.188 -4.855
155 HD1 TYR 22 HD1 TYR 22 1.691 -0.945 -4.948
156 HD2 TYR 22 HD2 TYR 22 -2.563 -0.861 -4.275
157 HE1 TYR 22 HE1 TYR 22 1.560 -3.277 -5.644
158 HE2 TYR 22 HE2 TYR 22 -2.732 -3.171 -5.102
159 HH TYR 22 HH TYR 22 -1.548 -5.085 -5.917
160 H TYR 23 H TYR 23 1.740 -0.812 -1.707
161 HA TYR 23 HA TYR 23 4.340 0.483 -2.413
162 HB2 TYR 23 HB2 TYR 23 4.177 -0.598 -0.234
163 HB3 TYR 23 HB3 TYR 23 3.635 -2.083 -0.976
164 HD1 TYR 23 HD1 TYR 23 6.632 0.219 -1.356
165 HD2 TYR 23 HD2 TYR 23 5.131 -3.811 -1.246
166 HE1 TYR 23 HE1 TYR 23 8.939 -0.634 -1.295
167 HE2 TYR 23 HE2 TYR 23 7.444 -4.660 -1.080
168 HH TYR 23 HH TYR 23 10.225 -2.659 -0.720
169 H ASN 24 H ASN 24 5.608 -0.102 -4.209
170 HA ASN 24 HA ASN 24 4.869 -2.621 -5.638
171 HB2 ASN 24 HB2 ASN 24 5.653 0.059 -6.824
172 HB3 ASN 24 HB3 ASN 24 5.541 -1.462 -7.720
173 HD21 ASN 24 HD21 ASN 24 3.773 1.265 -6.767
174 HD22 ASN 24 HD22 ASN 24 2.167 0.604 -7.076
175 H GLN 25 H GLN 25 6.498 -3.772 -4.499
176 HA GLN 25 HA GLN 25 9.169 -2.994 -4.185
177 HB2 GLN 25 HB2 GLN 25 9.727 -5.470 -4.241
178 HB3 GLN 25 HB3 GLN 25 8.655 -4.934 -2.987
179 HG2 GLN 25 HG2 GLN 25 7.631 -6.226 -5.538
180 HG3 GLN 25 HG3 GLN 25 8.107 -7.131 -4.093
181 HE21 GLN 25 HE21 GLN 25 5.368 -5.674 -5.574
182 HE22 GLN 25 HE22 GLN 25 4.435 -5.475 -4.124
183 H TYR 26 H TYR 26 7.564 -4.323 -7.075
184 HA TYR 26 HA TYR 26 9.681 -5.116 -8.634
185 HB2 TYR 26 HB2 TYR 26 7.269 -3.487 -9.528
186 HB3 TYR 26 HB3 TYR 26 8.314 -4.426 -10.580
187 HD1 TYR 26 HD2 TYR 26 8.600 -6.994 -9.900
188 HD2 TYR 26 HD1 TYR 26 5.231 -4.503 -8.849
189 HE1 TYR 26 HE2 TYR 26 7.202 -9.011 -9.629
190 HE2 TYR 26 HE1 TYR 26 3.835 -6.516 -8.588
191 HH TYR 26 HH TYR 26 5.152 -9.819 -8.927
192 H SER 27 H SER 27 8.578 -1.753 -8.095
193 HA SER 27 HA SER 27 10.933 -0.770 -9.606
194 HB2 SER 27 HB2 SER 27 8.534 -0.188 -10.319
195 HB3 SER 27 HB3 SER 27 8.475 0.817 -8.864
196 HG SER 27 HG SER 27 10.061 1.084 -11.204
197 H ASN 28 H ASN 28 10.379 -1.551 -6.551
198 HA ASN 28 HA ASN 28 11.040 -0.886 -4.500
199 HB2 ASN 28 HB2 ASN 28 13.189 -1.314 -5.667
200 HB3 ASN 28 HB3 ASN 28 13.263 0.366 -6.177
201 HD21 ASN 28 HD21 ASN 28 12.932 -1.492 -3.057
202 HD22 ASN 28 HD22 ASN 28 14.203 -0.501 -2.284
203 H THR 29 H THR 29 8.913 0.606 -5.104
204 HA THR 29 HA THR 29 9.389 3.016 -3.669
205 HB THR 29 HB THR 29 10.112 3.764 -5.914
206 HG1 THR 29 HG1 THR 29 8.549 5.585 -5.882
207 HG21 THR 29 HG21 THR 29 8.623 2.473 -7.350
208 HG22 THR 29 HG22 THR 29 8.413 4.210 -7.618
209 HG23 THR 29 HG23 THR 29 7.207 3.315 -6.674
210 H CYS 30 H CYS 30 6.913 4.312 -4.073
211 HA CYS 30 HA CYS 30 4.828 2.265 -3.825
212 HB2 CYS 30 HB2 CYS 30 4.782 4.422 -1.796
213 HB3 CYS 30 HB3 CYS 30 4.328 2.715 -1.759
214 H HIS 31 H HIS 31 2.675 3.241 -4.288
215 HA HIS 31 HA HIS 31 2.678 5.990 -5.316
216 HB2 HIS 31 HB2 HIS 31 3.418 4.170 -7.015
217 HB3 HIS 31 HB3 HIS 31 1.763 3.588 -6.951
218 HD1 HIS 31 HD1 HIS 31 0.548 4.509 -9.054
219 HD2 HIS 31 HD2 HIS 31 3.427 7.085 -7.379
220 HE1 HIS 31 HE1 HIS 31 0.600 6.582 -10.561
221 H SER 32 H SER 32 0.560 6.915 -5.222
222 HA SER 32 HA SER 32 -1.344 5.766 -3.480
223 HB2 SER 32 HB2 SER 32 -1.524 7.796 -5.611
224 HB3 SER 32 HB3 SER 32 -2.832 7.543 -4.435
225 HG SER 32 HG SER 32 -1.493 9.269 -3.882
226 H PHE 33 H PHE 33 -3.293 4.775 -3.833
227 HA PHE 33 HA PHE 33 -4.292 4.141 -6.511
228 HB2 PHE 33 HB2 PHE 33 -4.192 1.839 -6.396
229 HB3 PHE 33 HB3 PHE 33 -2.605 2.323 -5.778
230 HD1 PHE 33 HD2 PHE 33 -2.524 2.692 -3.138
231 HD2 PHE 33 HD1 PHE 33 -5.389 0.197 -5.182
232 HE1 PHE 33 HE2 PHE 33 -2.979 1.506 -1.058
233 HE2 PHE 33 HE1 PHE 33 -5.867 -0.945 -3.032
234 HZ PHE 33 HZ PHE 33 -4.645 -0.243 -0.953
235 H THR 34 H THR 34 -6.422 2.554 -5.918
236 HA THR 34 HA THR 34 -7.963 4.272 -4.016
237 HB THR 34 HB THR 34 -9.982 3.387 -5.082
238 HG1 THR 34 HG1 THR 34 -9.846 1.729 -6.298
239 HG21 THR 34 HG21 THR 34 -9.732 4.620 -7.188
240 HG22 THR 34 HG22 THR 34 -7.970 4.554 -7.061
241 HG23 THR 34 HG23 THR 34 -8.899 5.471 -5.862
242 H TYR 35 H TYR 35 -8.655 3.544 -2.067
243 HA TYR 35 HA TYR 35 -8.515 0.662 -1.621
244 HB2 TYR 35 HB2 TYR 35 -6.678 1.813 -0.636
245 HB3 TYR 35 HB3 TYR 35 -7.795 2.675 0.442
246 HD1 TYR 35 HD1 TYR 35 -6.705 -0.817 -0.612
247 HD2 TYR 35 HD2 TYR 35 -8.286 1.653 2.569
248 HE1 TYR 35 HE1 TYR 35 -6.175 -2.563 1.022
249 HE2 TYR 35 HE2 TYR 35 -7.873 -0.231 4.173
250 HH TYR 35 HH TYR 35 -5.887 -2.973 3.396
251 H SER 36 H SER 36 -9.800 0.225 0.617
252 HA SER 36 HA SER 36 -12.439 1.610 0.502
253 HB2 SER 36 HB2 SER 36 -12.819 -0.361 -0.556
254 HB3 SER 36 HB3 SER 36 -11.625 -1.272 0.372
255 HG SER 36 HG SER 36 -14.075 -1.457 0.644
256 H GLY 37 H GLY 37 -10.137 -0.219 2.651
257 HA2 GLY 37 HA2 GLY 37 -9.576 0.724 4.835
258 HA3 GLY 37 HA3 GLY 37 -11.191 1.398 4.950
259 H CYS 38 H CYS 38 -13.034 -0.214 4.781
260 HA CYS 38 HA CYS 38 -12.649 -2.413 6.610
261 HB2 CYS 38 HB2 CYS 38 -15.022 -2.952 5.872
262 HB3 CYS 38 HB3 CYS 38 -14.757 -1.374 6.607
263 H GLY 39 H GLY 39 -12.381 -2.040 3.127
264 HA2 GLY 39 HA2 GLY 39 -12.091 -4.968 2.699
265 HA3 GLY 39 HA3 GLY 39 -12.569 -3.772 1.472
266 H GLY 40 H GLY 40 -10.263 -5.632 1.529
267 HA2 GLY 40 HA2 GLY 40 -8.284 -5.274 0.292
268 HA3 GLY 40 HA3 GLY 40 -8.095 -3.682 1.030
269 H ASN 41 H ASN 41 -5.922 -5.070 1.115
270 HA ASN 41 HA ASN 41 -5.704 -6.449 3.750
271 HB2 ASN 41 HB2 ASN 41 -4.144 -6.890 1.168
272 HB3 ASN 41 HB3 ASN 41 -3.703 -7.598 2.695
273 HD21 ASN 41 HD21 ASN 41 -4.951 -9.223 3.713
274 HD22 ASN 41 HD22 ASN 41 -6.166 -10.082 2.769
275 H ALA 42 H ALA 42 -3.238 -6.589 4.346
276 HA ALA 42 HA ALA 42 -2.531 -4.235 5.513
277 HB1 ALA 42 HB1 ALA 42 -0.598 -5.300 6.314
278 HB2 ALA 42 HB2 ALA 42 -1.855 -6.544 6.217
279 HB3 ALA 42 HB3 ALA 42 -0.564 -6.453 4.980
280 H ASN 43 H ASN 43 -1.813 -4.831 2.142
281 HA ASN 43 HA ASN 43 0.648 -3.303 2.060
282 HB2 ASN 43 HB2 ASN 43 -0.043 -4.736 0.219
283 HB3 ASN 43 HB3 ASN 43 -1.478 -3.737 -0.062
284 HD21 ASN 43 HD21 ASN 43 -0.576 -3.687 -2.320
285 HD22 ASN 43 HD22 ASN 43 0.685 -2.549 -2.686
286 H ARG 44 H ARG 44 -2.443 -2.411 3.011
287 HA ARG 44 HA ARG 44 -2.589 0.228 1.996
288 HB2 ARG 44 HB2 ARG 44 -4.431 -1.174 3.183
289 HB3 ARG 44 HB3 ARG 44 -3.689 -0.729 4.719
290 HG2 ARG 44 HG2 ARG 44 -3.926 1.682 3.244
291 HG3 ARG 44 HG3 ARG 44 -5.386 0.776 2.927
292 HD2 ARG 44 HD2 ARG 44 -5.846 0.810 5.365
293 HD3 ARG 44 HD3 ARG 44 -4.437 1.918 5.506
294 HE ARG 44 HE ARG 44 -5.692 3.010 3.447
295 HH11 ARG 44 HH11 ARG 44 -7.027 2.046 6.592
296 HH12 ARG 44 HH12 ARG 44 -8.461 2.998 6.473
297 HH21 ARG 44 HH21 ARG 44 -7.315 4.726 3.602
298 HH22 ARG 44 HH22 ARG 44 -8.670 4.512 4.675
299 H PHE 45 H PHE 45 -1.837 2.081 2.646
300 HA PHE 45 HA PHE 45 -0.570 2.544 5.257
301 HB2 PHE 45 HB2 PHE 45 0.705 2.704 2.530
302 HB3 PHE 45 HB3 PHE 45 1.193 3.845 3.780
303 HD1 PHE 45 HD1 PHE 45 2.393 3.188 5.799
304 HD2 PHE 45 HD2 PHE 45 1.426 0.379 2.672
305 HE1 PHE 45 HE1 PHE 45 4.097 1.633 6.668
306 HE2 PHE 45 HE2 PHE 45 3.111 -1.179 3.545
307 HZ PHE 45 HZ PHE 45 4.480 -0.560 5.516
308 H ARG 46 H ARG 46 0.041 4.961 5.199
309 HA ARG 46 HA ARG 46 -2.213 6.545 4.054
310 HB2 ARG 46 HB2 ARG 46 -1.639 8.069 6.106
311 HB3 ARG 46 HB3 ARG 46 -2.669 6.661 6.253
312 HG2 ARG 46 HG2 ARG 46 -1.123 6.873 8.137
313 HG3 ARG 46 HG3 ARG 46 -0.964 5.341 7.303
314 HD2 ARG 46 HD2 ARG 46 1.213 6.166 7.936
315 HD3 ARG 46 HD3 ARG 46 1.121 6.181 6.191
316 HE ARG 46 HE ARG 46 1.010 8.545 6.166
317 HH11 ARG 46 HH11 ARG 46 1.402 7.297 9.535
318 HH12 ARG 46 HH12 ARG 46 1.789 8.883 10.119
319 HH21 ARG 46 HH21 ARG 46 1.484 10.629 7.128
320 HH22 ARG 46 HH22 ARG 46 1.975 10.631 8.800
321 H THR 47 H THR 47 1.258 6.204 3.919
322 HA THR 47 HA THR 47 1.328 8.401 2.105
323 HB THR 47 HB THR 47 1.504 9.624 4.322
324 HG1 THR 47 HG1 THR 47 3.595 10.645 3.521
325 HG21 THR 47 HG21 THR 47 3.420 9.354 5.728
326 HG22 THR 47 HG22 THR 47 4.281 8.414 4.507
327 HG23 THR 47 HG23 THR 47 2.966 7.661 5.342
328 H ILE 48 H ILE 48 3.090 8.305 0.760
329 HA ILE 48 HA ILE 48 4.511 5.873 0.547
330 HB ILE 48 HB ILE 48 4.167 7.123 -1.396
331 HG12 ILE 48 HG12 ILE 48 7.104 7.411 -0.721
332 HG13 ILE 48 HG13 ILE 48 6.352 5.922 -1.181
333 HG21 ILE 48 HG21 ILE 48 3.887 9.420 -0.488
334 HG22 ILE 48 HG22 ILE 48 5.626 9.501 -0.170
335 HG23 ILE 48 HG23 ILE 48 5.014 9.405 -1.828
336 HD11 ILE 48 HD11 ILE 48 6.834 8.392 -2.860
337 HD12 ILE 48 HD12 ILE 48 7.326 6.711 -3.168
338 HD13 ILE 48 HD13 ILE 48 5.626 7.186 -3.327
339 H ASP 49 H ASP 49 5.135 8.767 2.452
340 HA ASP 49 HA ASP 49 7.928 8.442 2.823
341 HB2 ASP 49 HB2 ASP 49 6.204 9.512 5.019
342 HB3 ASP 49 HB3 ASP 49 7.821 10.008 4.540
343 H GLU 50 H GLU 50 5.200 6.856 4.442
344 HA GLU 50 HA GLU 50 6.860 5.635 6.521
345 HB2 GLU 50 HB2 GLU 50 3.926 5.451 5.714
346 HB3 GLU 50 HB3 GLU 50 4.630 4.437 6.963
347 HG2 GLU 50 HG2 GLU 50 4.567 7.485 7.036
348 HG3 GLU 50 HG3 GLU 50 3.464 6.410 7.900
349 H CYS 51 H CYS 51 5.055 4.834 3.550
350 HA CYS 51 HA CYS 51 5.560 2.094 3.658
351 HB2 CYS 51 HB2 CYS 51 3.926 2.660 2.164
352 HB3 CYS 51 HB3 CYS 51 4.898 3.949 1.398
353 H ASN 52 H ASN 52 7.383 4.684 1.972
354 HA ASN 52 HA ASN 52 9.241 2.820 0.913
355 HB2 ASN 52 HB2 ASN 52 10.242 4.516 -0.232
356 HB3 ASN 52 HB3 ASN 52 8.690 5.250 0.046
357 HD21 ASN 52 HD21 ASN 52 8.608 7.040 1.336
358 HD22 ASN 52 HD22 ASN 52 10.010 7.879 1.946
359 H ARG 53 H ARG 53 9.451 5.070 3.731
360 HA ARG 53 HA ARG 53 11.983 4.134 4.419
361 HB2 ARG 53 HB2 ARG 53 11.826 5.224 6.425
362 HB3 ARG 53 HB3 ARG 53 10.718 6.114 5.356
363 HG2 ARG 53 HG2 ARG 53 8.830 4.856 6.411
364 HG3 ARG 53 HG3 ARG 53 9.960 4.177 7.584
365 HD2 ARG 53 HD2 ARG 53 9.512 7.163 7.091
366 HD3 ARG 53 HD3 ARG 53 8.751 6.256 8.391
367 HE ARG 53 HE ARG 53 11.560 7.086 8.131
368 HH11 ARG 53 HH11 ARG 53 9.280 5.010 9.940
369 HH12 ARG 53 HH12 ARG 53 10.313 4.874 11.326
370 HH21 ARG 53 HH21 ARG 53 12.960 6.775 9.976
371 HH22 ARG 53 HH22 ARG 53 12.356 5.899 11.371
372 H THR 54 H THR 54 8.968 2.388 4.909
373 HA THR 54 HA THR 54 10.393 0.466 6.631
374 HB THR 54 HB THR 54 8.169 1.502 7.197
375 HG1 THR 54 HG1 THR 54 7.511 -0.550 8.095
376 HG21 THR 54 HG21 THR 54 6.192 0.735 6.331
377 HG22 THR 54 HG22 THR 54 6.901 -0.754 5.640
378 HG23 THR 54 HG23 THR 54 7.142 0.823 4.858
379 H CYS 55 H CYS 55 9.293 0.636 3.249
380 HA CYS 55 HA CYS 55 10.074 -2.229 2.967
381 HB2 CYS 55 HB2 CYS 55 7.994 -0.850 1.279
382 HB3 CYS 55 HB3 CYS 55 8.315 -2.580 1.438
383 H VAL 56 H VAL 56 10.662 0.979 1.758
384 HA VAL 56 HA VAL 56 11.754 -0.080 -0.812
385 HB VAL 56 HB VAL 56 11.337 2.694 0.230
386 HG11 VAL 56 HG11 VAL 56 13.315 2.950 -1.014
387 HG12 VAL 56 HG12 VAL 56 12.684 1.955 -2.346
388 HG13 VAL 56 HG13 VAL 56 11.973 3.546 -1.982
389 HG21 VAL 56 HG21 VAL 56 10.186 1.208 -2.172
390 HG22 VAL 56 HG22 VAL 56 9.328 1.416 -0.638
391 HG23 VAL 56 HG23 VAL 56 9.712 2.826 -1.612
392 H GLY 57 H GLY 57 13.266 -1.381 0.039
393 HA2 GLY 57 HA2 GLY 57 15.321 -0.482 1.891
394 HA3 GLY 57 HA3 GLY 57 15.304 -2.007 0.969
Start of MODEL 10
1 H1 ARG 1 H ARG 1 12.426 -5.787 3.747
2 HA ARG 1 HA ARG 1 10.602 -4.350 2.945
3 HB2 ARG 1 HB2 ARG 1 9.568 -4.863 0.809
4 HB3 ARG 1 HB3 ARG 1 11.233 -4.330 0.699
5 HG2 ARG 1 HG2 ARG 1 11.421 -7.170 0.590
6 HG3 ARG 1 HG3 ARG 1 10.004 -6.725 -0.363
7 HD2 ARG 1 HD2 ARG 1 11.650 -6.484 -1.989
8 HD3 ARG 1 HD3 ARG 1 11.552 -4.888 -1.408
9 HE ARG 1 HE ARG 1 13.596 -5.153 -0.167
10 HH11 ARG 1 HH11 ARG 1 12.910 -7.842 -2.387
11 HH12 ARG 1 HH12 ARG 1 14.610 -8.142 -2.707
12 HH21 ARG 1 HH21 ARG 1 15.821 -5.666 -0.524
13 HH22 ARG 1 HH22 ARG 1 16.232 -7.033 -1.512
14 HA PRO 2 HA PRO 2 8.927 -7.791 5.376
15 HB2 PRO 2 HB2 PRO 2 6.757 -6.481 6.430
16 HB3 PRO 2 HB3 PRO 2 8.408 -6.181 7.018
17 HG2 PRO 2 HG2 PRO 2 6.920 -4.619 4.974
18 HG3 PRO 2 HG3 PRO 2 7.780 -3.992 6.430
19 HD2 PRO 2 HD2 PRO 2 9.095 -3.939 4.088
20 HD3 PRO 2 HD3 PRO 2 9.919 -4.581 5.529
21 H ARG 3 H ARG 3 7.295 -9.317 5.087
22 HA ARG 3 HA ARG 3 6.096 -9.510 2.567
23 HB2 ARG 3 HB2 ARG 3 4.976 -11.474 3.269
24 HB3 ARG 3 HB3 ARG 3 6.586 -11.445 3.949
25 HG2 ARG 3 HG2 ARG 3 5.153 -12.415 5.512
26 HG3 ARG 3 HG3 ARG 3 5.615 -10.846 6.174
27 HD2 ARG 3 HD2 ARG 3 3.393 -9.988 5.802
28 HD3 ARG 3 HD3 ARG 3 2.948 -11.370 4.805
29 HE ARG 3 HE ARG 3 3.006 -11.145 7.722
30 HH11 ARG 3 HH11 ARG 3 2.822 -13.504 5.009
31 HH12 ARG 3 HH12 ARG 3 2.382 -14.790 6.099
32 HH21 ARG 3 HH21 ARG 3 2.091 -12.888 9.001
33 HH22 ARG 3 HH22 ARG 3 1.916 -14.439 8.263
34 H PHE 4 H PHE 4 4.799 -7.755 5.280
35 HA PHE 4 HA PHE 4 2.063 -8.065 4.378
36 HB2 PHE 4 HB2 PHE 4 1.464 -6.661 6.078
37 HB3 PHE 4 HB3 PHE 4 2.867 -7.474 6.724
38 HD1 PHE 4 HD2 PHE 4 1.612 -4.330 5.201
39 HD2 PHE 4 HD1 PHE 4 4.825 -6.204 7.344
40 HE1 PHE 4 HE2 PHE 4 2.395 -2.119 5.935
41 HE2 PHE 4 HE1 PHE 4 5.802 -3.966 7.826
42 HZ PHE 4 HZ PHE 4 4.580 -1.916 7.170
43 H CYS 5 H CYS 5 4.722 -5.917 3.403
44 HA CYS 5 HA CYS 5 2.987 -3.941 2.223
45 HB2 CYS 5 HB2 CYS 5 5.951 -4.585 2.138
46 HB3 CYS 5 HB3 CYS 5 5.239 -3.356 1.095
47 H GLU 6 H GLU 6 4.036 -7.071 1.189
48 HA GLU 6 HA GLU 6 3.619 -6.293 -1.676
49 HB2 GLU 6 HB2 GLU 6 4.863 -8.141 -2.335
50 HB3 GLU 6 HB3 GLU 6 5.677 -7.440 -0.943
51 HG2 GLU 6 HG2 GLU 6 4.066 -9.282 0.315
52 HG3 GLU 6 HG3 GLU 6 4.250 -10.065 -1.245
53 H LEU 7 H LEU 7 1.485 -6.950 0.516
54 HA LEU 7 HA LEU 7 0.084 -9.236 -0.675
55 HB2 LEU 7 HB2 LEU 7 -0.981 -7.186 1.274
56 HB3 LEU 7 HB3 LEU 7 -1.681 -8.766 0.906
57 HG LEU 7 HG LEU 7 0.933 -8.225 2.350
58 HD11 LEU 7 HD11 LEU 7 -1.161 -7.812 3.623
59 HD12 LEU 7 HD12 LEU 7 -0.207 -9.141 4.286
60 HD13 LEU 7 HD13 LEU 7 -1.654 -9.492 3.326
61 HD21 LEU 7 HD21 LEU 7 -0.298 -10.939 1.815
62 HD22 LEU 7 HD22 LEU 7 1.129 -10.592 2.829
63 HD23 LEU 7 HD23 LEU 7 1.214 -10.309 1.093
64 H ALA 8 H ALA 8 -2.289 -8.894 -1.388
65 HA ALA 8 HA ALA 8 -2.315 -6.742 -3.436
66 HB1 ALA 8 HB1 ALA 8 -4.068 -9.197 -3.150
67 HB2 ALA 8 HB2 ALA 8 -4.073 -8.011 -4.481
68 HB3 ALA 8 HB3 ALA 8 -2.652 -9.029 -4.223
69 HA PRO 9 HA PRO 9 -5.068 -4.928 -0.299
70 HB2 PRO 9 HB2 PRO 9 -5.227 -2.399 -1.230
71 HB3 PRO 9 HB3 PRO 9 -3.760 -3.041 -0.425
72 HG2 PRO 9 HG2 PRO 9 -4.295 -2.764 -3.407
73 HG3 PRO 9 HG3 PRO 9 -2.818 -2.314 -2.487
74 HD2 PRO 9 HD2 PRO 9 -3.116 -4.697 -3.851
75 HD3 PRO 9 HD3 PRO 9 -2.102 -4.520 -2.392
76 H SER 10 H SER 10 -6.931 -6.190 -0.778
77 HA SER 10 HA SER 10 -8.586 -6.013 -3.014
78 HB2 SER 10 HB2 SER 10 -9.570 -6.804 -0.260
79 HB3 SER 10 HB3 SER 10 -9.928 -7.514 -1.838
80 HG SER 10 HG SER 10 -7.725 -8.265 -1.852
81 H ALA 11 H ALA 11 -8.615 -3.559 -3.128
82 HA ALA 11 HA ALA 11 -10.128 -1.942 -1.335
83 HB1 ALA 11 HB1 ALA 11 -10.003 -0.308 -3.189
84 HB2 ALA 11 HB2 ALA 11 -8.436 -1.117 -2.952
85 HB3 ALA 11 HB3 ALA 11 -9.493 -1.590 -4.298
86 H GLY 12 H GLY 12 -11.338 -4.399 -3.197
87 HA2 GLY 12 HA2 GLY 12 -13.840 -2.995 -4.006
88 HA3 GLY 12 HA3 GLY 12 -13.291 -4.557 -4.589
89 H SER 13 H SER 13 -12.751 -5.246 -1.547
90 HA SER 13 HA SER 13 -14.937 -6.836 -1.120
91 HB2 SER 13 HB2 SER 13 -13.104 -5.561 0.914
92 HB3 SER 13 HB3 SER 13 -13.967 -7.110 1.095
93 HG SER 13 HG SER 13 -12.383 -8.023 0.072
94 H CYS 14 H CYS 14 -14.337 -3.907 0.956
95 HA CYS 14 HA CYS 14 -17.259 -3.795 1.500
96 HB2 CYS 14 HB2 CYS 14 -14.858 -2.360 2.699
97 HB3 CYS 14 HB3 CYS 14 -16.544 -2.109 3.180
98 H PHE 15 H PHE 15 -18.482 -1.906 0.819
99 HA PHE 15 HA PHE 15 -17.162 -0.562 -1.453
100 HB2 PHE 15 HB2 PHE 15 -19.524 -1.444 -1.519
101 HB3 PHE 15 HB3 PHE 15 -19.990 -0.139 -0.453
102 HD1 PHE 15 HD1 PHE 15 -19.071 2.348 -1.334
103 HD2 PHE 15 HD2 PHE 15 -19.766 -1.130 -3.799
104 HE1 PHE 15 HE1 PHE 15 -19.171 3.777 -3.326
105 HE2 PHE 15 HE2 PHE 15 -19.898 0.328 -5.793
106 HZ PHE 15 HZ PHE 15 -19.630 2.785 -5.561
107 H ALA 16 H ALA 16 -15.812 0.997 -0.916
108 HA ALA 16 HA ALA 16 -16.828 3.327 0.468
109 HB1 ALA 16 HB1 ALA 16 -15.997 2.216 2.394
110 HB2 ALA 16 HB2 ALA 16 -14.513 1.729 1.569
111 HB3 ALA 16 HB3 ALA 16 -14.779 3.437 1.972
112 H PHE 17 H PHE 17 -15.140 5.099 0.330
113 HA PHE 17 HA PHE 17 -13.355 4.788 -2.034
114 HB2 PHE 17 HB2 PHE 17 -15.685 5.782 -2.480
115 HB3 PHE 17 HB3 PHE 17 -15.163 7.192 -1.597
116 HD1 PHE 17 HD2 PHE 17 -12.195 6.291 -3.238
117 HD2 PHE 17 HD1 PHE 17 -16.176 7.731 -4.104
118 HE1 PHE 17 HE2 PHE 17 -11.401 7.159 -5.357
119 HE2 PHE 17 HE1 PHE 17 -15.340 8.684 -6.215
120 HZ PHE 17 HZ PHE 17 -12.955 8.457 -6.853
121 H VAL 18 H VAL 18 -11.432 4.831 -0.828
122 HA VAL 18 HA VAL 18 -10.832 7.306 0.624
123 HB VAL 18 HB VAL 18 -9.648 5.897 2.408
124 HG11 VAL 18 HG11 VAL 18 -12.698 5.975 2.463
125 HG12 VAL 18 HG12 VAL 18 -11.588 5.956 3.853
126 HG13 VAL 18 HG13 VAL 18 -11.640 7.358 2.780
127 HG21 VAL 18 HG21 VAL 18 -11.763 3.847 1.595
128 HG22 VAL 18 HG22 VAL 18 -10.006 3.637 1.442
129 HG23 VAL 18 HG23 VAL 18 -10.744 3.779 3.039
130 HA PRO 19 HA PRO 19 -7.503 6.274 -2.262
131 HB2 PRO 19 HB2 PRO 19 -6.152 8.669 -2.258
132 HB3 PRO 19 HB3 PRO 19 -7.635 8.359 -3.204
133 HG2 PRO 19 HG2 PRO 19 -7.360 9.774 -0.553
134 HG3 PRO 19 HG3 PRO 19 -8.370 10.216 -1.955
135 HD2 PRO 19 HD2 PRO 19 -9.344 8.884 0.263
136 HD3 PRO 19 HD3 PRO 19 -10.036 8.655 -1.362
137 H SER 20 H SER 20 -5.846 5.029 -1.572
138 HA SER 20 HA SER 20 -4.251 5.952 0.752
139 HB2 SER 20 HB2 SER 20 -5.057 3.068 0.385
140 HB3 SER 20 HB3 SER 20 -4.275 3.832 1.767
141 HG SER 20 HG SER 20 -6.859 4.496 0.826
142 H TYR 21 H TYR 21 -2.144 4.116 0.773
143 HA TYR 21 HA TYR 21 -0.912 4.504 -1.937
144 HB2 TYR 21 HB2 TYR 21 0.153 4.745 0.829
145 HB3 TYR 21 HB3 TYR 21 1.241 4.151 -0.404
146 HD1 TYR 21 HD1 TYR 21 -0.704 7.019 0.755
147 HD2 TYR 21 HD2 TYR 21 2.044 5.624 -2.298
148 HE1 TYR 21 HE1 TYR 21 -0.251 9.335 0.095
149 HE2 TYR 21 HE2 TYR 21 2.388 7.937 -3.026
150 HH TYR 21 HH TYR 21 0.918 10.753 -1.388
151 H TYR 22 H TYR 22 0.104 2.967 -3.006
152 HA TYR 22 HA TYR 22 0.002 0.155 -2.081
153 HB2 TYR 22 HB2 TYR 22 -1.277 1.052 -4.192
154 HB3 TYR 22 HB3 TYR 22 0.272 1.285 -4.907
155 HD1 TYR 22 HD1 TYR 22 1.861 -0.842 -4.991
156 HD2 TYR 22 HD2 TYR 22 -2.420 -0.868 -4.611
157 HE1 TYR 22 HE1 TYR 22 1.868 -3.108 -5.871
158 HE2 TYR 22 HE2 TYR 22 -2.462 -3.199 -5.557
159 HH TYR 22 HH TYR 22 0.504 -4.772 -6.788
160 H TYR 23 H TYR 23 1.942 -0.769 -1.704
161 HA TYR 23 HA TYR 23 4.476 0.582 -2.474
162 HB2 TYR 23 HB2 TYR 23 4.389 -0.377 -0.278
163 HB3 TYR 23 HB3 TYR 23 3.797 -1.914 -0.904
164 HD1 TYR 23 HD1 TYR 23 6.827 0.314 -1.092
165 HD2 TYR 23 HD2 TYR 23 5.191 -3.665 -1.353
166 HE1 TYR 23 HE1 TYR 23 9.118 -0.645 -1.210
167 HE2 TYR 23 HE2 TYR 23 7.472 -4.621 -1.249
168 HH TYR 23 HH TYR 23 10.318 -2.756 -0.785
169 H ASN 24 H ASN 24 5.678 0.002 -4.256
170 HA ASN 24 HA ASN 24 4.899 -2.478 -5.726
171 HB2 ASN 24 HB2 ASN 24 5.776 0.169 -6.939
172 HB3 ASN 24 HB3 ASN 24 5.623 -1.359 -7.799
173 HD21 ASN 24 HD21 ASN 24 3.770 1.286 -6.260
174 HD22 ASN 24 HD22 ASN 24 2.258 0.807 -7.013
175 H GLN 25 H GLN 25 6.462 -3.777 -4.853
176 HA GLN 25 HA GLN 25 9.140 -2.932 -4.330
177 HB2 GLN 25 HB2 GLN 25 9.751 -5.163 -3.935
178 HB3 GLN 25 HB3 GLN 25 8.182 -4.928 -3.232
179 HG2 GLN 25 HG2 GLN 25 8.731 -6.378 -5.830
180 HG3 GLN 25 HG3 GLN 25 8.509 -7.135 -4.265
181 HE21 GLN 25 HE21 GLN 25 6.126 -5.055 -3.656
182 HE22 GLN 25 HE22 GLN 25 4.876 -5.713 -4.659
183 H TYR 26 H TYR 26 7.584 -4.300 -7.231
184 HA TYR 26 HA TYR 26 9.910 -4.896 -8.678
185 HB2 TYR 26 HB2 TYR 26 7.188 -3.947 -9.632
186 HB3 TYR 26 HB3 TYR 26 8.424 -4.603 -10.681
187 HD1 TYR 26 HD2 TYR 26 9.479 -6.984 -9.562
188 HD2 TYR 26 HD1 TYR 26 5.466 -5.469 -9.175
189 HE1 TYR 26 HE2 TYR 26 8.645 -9.291 -9.384
190 HE2 TYR 26 HE1 TYR 26 4.600 -7.789 -9.009
191 HH TYR 26 HH TYR 26 5.345 -10.120 -9.780
192 H SER 27 H SER 27 8.648 -1.770 -7.837
193 HA SER 27 HA SER 27 10.548 -0.445 -9.724
194 HB2 SER 27 HB2 SER 27 8.097 -0.186 -10.194
195 HB3 SER 27 HB3 SER 27 7.921 0.625 -8.635
196 HG SER 27 HG SER 27 8.185 1.992 -10.493
197 H ASN 28 H ASN 28 10.321 -1.452 -6.632
198 HA ASN 28 HA ASN 28 10.839 -0.837 -4.604
199 HB2 ASN 28 HB2 ASN 28 13.010 -1.205 -5.985
200 HB3 ASN 28 HB3 ASN 28 13.255 0.528 -5.783
201 HD21 ASN 28 HD21 ASN 28 14.506 0.907 -3.919
202 HD22 ASN 28 HD22 ASN 28 14.669 -0.199 -2.565
203 H THR 29 H THR 29 8.870 0.715 -5.212
204 HA THR 29 HA THR 29 9.395 3.098 -3.709
205 HB THR 29 HB THR 29 10.083 3.724 -6.035
206 HG1 THR 29 HG1 THR 29 9.269 5.158 -4.416
207 HG21 THR 29 HG21 THR 29 8.395 2.484 -7.358
208 HG22 THR 29 HG22 THR 29 8.401 4.210 -7.723
209 HG23 THR 29 HG23 THR 29 7.113 3.536 -6.715
210 H CYS 30 H CYS 30 6.950 4.417 -4.320
211 HA CYS 30 HA CYS 30 4.844 2.432 -3.710
212 HB2 CYS 30 HB2 CYS 30 5.999 3.868 -1.698
213 HB3 CYS 30 HB3 CYS 30 4.866 5.073 -2.307
214 H HIS 31 H HIS 31 2.680 3.424 -4.204
215 HA HIS 31 HA HIS 31 2.727 5.965 -5.646
216 HB2 HIS 31 HB2 HIS 31 3.310 3.938 -7.230
217 HB3 HIS 31 HB3 HIS 31 1.614 3.490 -6.992
218 HD1 HIS 31 HD1 HIS 31 0.482 4.253 -9.274
219 HD2 HIS 31 HD2 HIS 31 3.241 6.956 -7.595
220 HE1 HIS 31 HE1 HIS 31 0.533 6.244 -10.845
221 H SER 32 H SER 32 0.657 6.979 -5.451
222 HA SER 32 HA SER 32 -1.065 5.782 -3.490
223 HB2 SER 32 HB2 SER 32 -2.543 7.727 -4.143
224 HB3 SER 32 HB3 SER 32 -0.992 8.062 -3.369
225 HG SER 32 HG SER 32 -0.554 9.270 -4.986
226 H PHE 33 H PHE 33 -3.033 4.775 -3.724
227 HA PHE 33 HA PHE 33 -4.136 4.228 -6.378
228 HB2 PHE 33 HB2 PHE 33 -4.191 1.940 -6.170
229 HB3 PHE 33 HB3 PHE 33 -2.571 2.325 -5.625
230 HD1 PHE 33 HD2 PHE 33 -2.411 2.651 -2.946
231 HD2 PHE 33 HD1 PHE 33 -5.470 0.387 -4.958
232 HE1 PHE 33 HE2 PHE 33 -2.955 1.442 -0.820
233 HE2 PHE 33 HE1 PHE 33 -5.976 -0.793 -2.879
234 HZ PHE 33 HZ PHE 33 -4.684 -0.218 -0.758
235 H THR 34 H THR 34 -6.344 2.793 -5.676
236 HA THR 34 HA THR 34 -7.818 4.604 -3.807
237 HB THR 34 HB THR 34 -9.744 3.408 -5.189
238 HG1 THR 34 HG1 THR 34 -8.691 2.091 -6.542
239 HG21 THR 34 HG21 THR 34 -9.274 5.839 -5.214
240 HG22 THR 34 HG22 THR 34 -9.713 5.235 -6.819
241 HG23 THR 34 HG23 THR 34 -8.016 5.583 -6.444
242 H TYR 35 H TYR 35 -8.617 3.740 -1.893
243 HA TYR 35 HA TYR 35 -8.644 0.797 -1.662
244 HB2 TYR 35 HB2 TYR 35 -6.819 1.964 -0.416
245 HB3 TYR 35 HB3 TYR 35 -8.059 2.693 0.589
246 HD1 TYR 35 HD1 TYR 35 -6.988 -0.678 -0.729
247 HD2 TYR 35 HD2 TYR 35 -8.374 1.614 2.652
248 HE1 TYR 35 HE1 TYR 35 -6.321 -2.523 0.811
249 HE2 TYR 35 HE2 TYR 35 -7.845 -0.252 4.152
250 HH TYR 35 HH TYR 35 -7.044 -2.688 4.178
251 H SER 36 H SER 36 -10.008 0.199 0.537
252 HA SER 36 HA SER 36 -12.389 1.875 0.867
253 HB2 SER 36 HB2 SER 36 -13.772 -0.199 0.768
254 HB3 SER 36 HB3 SER 36 -13.090 0.291 -0.790
255 HG SER 36 HG SER 36 -12.743 -1.790 -0.665
256 H GLY 37 H GLY 37 -13.433 1.386 3.006
257 HA2 GLY 37 HA2 GLY 37 -11.787 1.332 5.133
258 HA3 GLY 37 HA3 GLY 37 -13.469 0.841 5.197
259 H CYS 38 H CYS 38 -13.630 -1.692 4.146
260 HA CYS 38 HA CYS 38 -11.536 -3.229 5.615
261 HB2 CYS 38 HB2 CYS 38 -13.403 -4.800 6.191
262 HB3 CYS 38 HB3 CYS 38 -13.316 -3.267 7.032
263 H GLY 39 H GLY 39 -11.441 -5.473 5.158
264 HA2 GLY 39 HA2 GLY 39 -11.560 -7.379 3.840
265 HA3 GLY 39 HA3 GLY 39 -12.140 -6.440 2.474
266 H GLY 40 H GLY 40 -10.277 -4.395 2.273
267 HA2 GLY 40 HA2 GLY 40 -8.206 -5.372 0.818
268 HA3 GLY 40 HA3 GLY 40 -8.188 -3.817 1.658
269 H ASN 41 H ASN 41 -6.002 -5.690 1.078
270 HA ASN 41 HA ASN 41 -5.234 -6.760 3.691
271 HB2 ASN 41 HB2 ASN 41 -3.977 -7.011 0.946
272 HB3 ASN 41 HB3 ASN 41 -3.266 -7.668 2.401
273 HD21 ASN 41 HD21 ASN 41 -5.382 -8.556 -0.124
274 HD22 ASN 41 HD22 ASN 41 -6.184 -9.839 0.704
275 H ALA 42 H ALA 42 -3.005 -6.563 4.389
276 HA ALA 42 HA ALA 42 -2.458 -4.048 5.210
277 HB1 ALA 42 HB1 ALA 42 -0.414 -6.255 5.012
278 HB2 ALA 42 HB2 ALA 42 -0.463 -4.925 6.182
279 HB3 ALA 42 HB3 ALA 42 -1.715 -6.184 6.227
280 H ASN 43 H ASN 43 -1.630 -4.891 1.951
281 HA ASN 43 HA ASN 43 0.823 -3.389 1.761
282 HB2 ASN 43 HB2 ASN 43 0.132 -4.882 -0.004
283 HB3 ASN 43 HB3 ASN 43 -1.337 -3.941 -0.314
284 HD21 ASN 43 HD21 ASN 43 -0.570 -3.742 -2.690
285 HD22 ASN 43 HD22 ASN 43 0.774 -2.679 -2.975
286 H ARG 44 H ARG 44 -2.453 -2.350 2.320
287 HA ARG 44 HA ARG 44 -2.205 0.248 1.127
288 HB2 ARG 44 HB2 ARG 44 -4.358 -0.561 1.550
289 HB3 ARG 44 HB3 ARG 44 -4.007 -1.026 3.206
290 HG2 ARG 44 HG2 ARG 44 -3.852 1.903 2.518
291 HG3 ARG 44 HG3 ARG 44 -5.431 1.183 2.518
292 HD2 ARG 44 HD2 ARG 44 -3.535 1.255 4.900
293 HD3 ARG 44 HD3 ARG 44 -4.983 2.228 4.656
294 HE ARG 44 HE ARG 44 -5.382 -0.665 4.568
295 HH11 ARG 44 HH11 ARG 44 -5.124 2.071 6.844
296 HH12 ARG 44 HH12 ARG 44 -6.307 1.428 7.928
297 HH21 ARG 44 HH21 ARG 44 -6.927 -1.548 6.210
298 HH22 ARG 44 HH22 ARG 44 -7.226 -0.593 7.608
299 H PHE 45 H PHE 45 -1.404 2.037 1.786
300 HA PHE 45 HA PHE 45 -0.504 2.513 4.566
301 HB2 PHE 45 HB2 PHE 45 1.095 2.584 2.046
302 HB3 PHE 45 HB3 PHE 45 1.281 4.009 3.064
303 HD1 PHE 45 HD1 PHE 45 2.047 3.820 5.454
304 HD2 PHE 45 HD2 PHE 45 1.818 0.430 2.810
305 HE1 PHE 45 HE1 PHE 45 3.275 2.441 7.114
306 HE2 PHE 45 HE2 PHE 45 3.129 -0.902 4.388
307 HZ PHE 45 HZ PHE 45 3.787 0.076 6.614
308 H ARG 46 H ARG 46 -0.022 4.939 4.797
309 HA ARG 46 HA ARG 46 -2.305 6.476 3.648
310 HB2 ARG 46 HB2 ARG 46 -1.974 7.833 5.834
311 HB3 ARG 46 HB3 ARG 46 -2.824 6.309 5.856
312 HG2 ARG 46 HG2 ARG 46 -1.324 6.592 7.779
313 HG3 ARG 46 HG3 ARG 46 -0.986 5.145 6.867
314 HD2 ARG 46 HD2 ARG 46 1.072 6.229 7.638
315 HD3 ARG 46 HD3 ARG 46 1.012 6.236 5.877
316 HE ARG 46 HE ARG 46 0.733 8.561 5.861
317 HH11 ARG 46 HH11 ARG 46 1.071 7.394 9.251
318 HH12 ARG 46 HH12 ARG 46 1.197 9.011 9.821
319 HH21 ARG 46 HH21 ARG 46 0.604 10.625 6.758
320 HH22 ARG 46 HH22 ARG 46 0.935 10.860 8.424
321 H THR 47 H THR 47 1.118 6.294 3.554
322 HA THR 47 HA THR 47 1.236 8.650 2.008
323 HB THR 47 HB THR 47 1.303 9.642 4.337
324 HG1 THR 47 HG1 THR 47 2.200 10.786 2.643
325 HG21 THR 47 HG21 THR 47 3.273 9.404 5.700
326 HG22 THR 47 HG22 THR 47 4.091 8.458 4.449
327 HG23 THR 47 HG23 THR 47 2.752 7.748 5.309
328 H ILE 48 H ILE 48 3.187 8.708 0.789
329 HA ILE 48 HA ILE 48 4.399 6.128 0.463
330 HB ILE 48 HB ILE 48 4.188 7.385 -1.484
331 HG12 ILE 48 HG12 ILE 48 7.133 7.646 -0.788
332 HG13 ILE 48 HG13 ILE 48 6.355 6.120 -1.123
333 HG21 ILE 48 HG21 ILE 48 3.976 9.680 -0.575
334 HG22 ILE 48 HG22 ILE 48 5.715 9.677 -0.166
335 HG23 ILE 48 HG23 ILE 48 5.170 9.640 -1.850
336 HD11 ILE 48 HD11 ILE 48 6.726 8.440 -3.041
337 HD12 ILE 48 HD12 ILE 48 7.409 6.810 -3.132
338 HD13 ILE 48 HD13 ILE 48 5.668 7.047 -3.383
339 H ASP 49 H ASP 49 5.063 8.968 2.389
340 HA ASP 49 HA ASP 49 7.834 8.693 2.792
341 HB2 ASP 49 HB2 ASP 49 5.833 9.806 4.768
342 HB3 ASP 49 HB3 ASP 49 7.566 10.089 4.733
343 H GLU 50 H GLU 50 5.098 7.009 4.315
344 HA GLU 50 HA GLU 50 6.748 5.711 6.348
345 HB2 GLU 50 HB2 GLU 50 3.839 5.887 5.623
346 HB3 GLU 50 HB3 GLU 50 4.376 4.388 6.327
347 HG2 GLU 50 HG2 GLU 50 3.520 5.843 8.023
348 HG3 GLU 50 HG3 GLU 50 5.220 5.411 8.275
349 H CYS 51 H CYS 51 4.868 4.968 3.476
350 HA CYS 51 HA CYS 51 5.273 2.236 3.260
351 HB2 CYS 51 HB2 CYS 51 3.717 3.459 1.866
352 HB3 CYS 51 HB3 CYS 51 5.049 4.387 1.153
353 H ASN 52 H ASN 52 7.334 4.853 1.883
354 HA ASN 52 HA ASN 52 9.194 2.996 0.844
355 HB2 ASN 52 HB2 ASN 52 10.272 4.711 -0.163
356 HB3 ASN 52 HB3 ASN 52 8.674 5.444 0.039
357 HD21 ASN 52 HD21 ASN 52 8.500 7.250 1.317
358 HD22 ASN 52 HD22 ASN 52 9.878 8.104 1.982
359 H ARG 53 H ARG 53 9.434 5.256 3.669
360 HA ARG 53 HA ARG 53 11.860 4.185 4.446
361 HB2 ARG 53 HB2 ARG 53 11.726 5.371 6.406
362 HB3 ARG 53 HB3 ARG 53 10.580 6.232 5.350
363 HG2 ARG 53 HG2 ARG 53 8.728 4.965 6.485
364 HG3 ARG 53 HG3 ARG 53 9.919 4.314 7.633
365 HD2 ARG 53 HD2 ARG 53 10.507 6.569 8.370
366 HD3 ARG 53 HD3 ARG 53 9.524 7.275 7.094
367 HE ARG 53 HE ARG 53 7.600 6.939 8.229
368 HH11 ARG 53 HH11 ARG 53 10.226 5.427 10.100
369 HH12 ARG 53 HH12 ARG 53 9.348 5.431 11.589
370 HH21 ARG 53 HH21 ARG 53 6.451 6.988 10.199
371 HH22 ARG 53 HH22 ARG 53 7.158 6.379 11.639
372 H THR 54 H THR 54 8.827 2.552 4.814
373 HA THR 54 HA THR 54 9.979 0.683 6.765
374 HB THR 54 HB THR 54 7.704 1.950 6.834
375 HG1 THR 54 HG1 THR 54 8.410 0.681 8.428
376 HG21 THR 54 HG21 THR 54 5.830 0.974 6.008
377 HG22 THR 54 HG22 THR 54 6.605 -0.636 5.758
378 HG23 THR 54 HG23 THR 54 6.908 0.744 4.658
379 H CYS 55 H CYS 55 9.033 0.673 3.294
380 HA CYS 55 HA CYS 55 9.869 -2.163 3.191
381 HB2 CYS 55 HB2 CYS 55 7.509 -0.803 1.849
382 HB3 CYS 55 HB3 CYS 55 8.059 -2.455 1.500
383 H VAL 56 H VAL 56 10.488 0.949 1.834
384 HA VAL 56 HA VAL 56 11.542 -0.242 -0.679
385 HB VAL 56 HB VAL 56 11.338 2.596 0.329
386 HG11 VAL 56 HG11 VAL 56 13.400 2.568 -0.856
387 HG12 VAL 56 HG12 VAL 56 12.611 1.772 -2.245
388 HG13 VAL 56 HG13 VAL 56 12.135 3.416 -1.744
389 HG21 VAL 56 HG21 VAL 56 9.261 1.486 -0.619
390 HG22 VAL 56 HG22 VAL 56 9.811 2.868 -1.564
391 HG23 VAL 56 HG23 VAL 56 10.159 1.220 -2.122
392 H GLY 57 H GLY 57 13.210 -1.550 -0.162
393 HA2 GLY 57 HA2 GLY 57 15.173 -0.846 1.882
394 HA3 GLY 57 HA3 GLY 57 15.167 -2.262 0.796
Start of MODEL 11
1 H1 ARG 1 H ARG 1 12.807 -5.322 2.881
2 HA ARG 1 HA ARG 1 10.561 -4.541 3.116
3 HB2 ARG 1 HB2 ARG 1 10.272 -6.354 0.724
4 HB3 ARG 1 HB3 ARG 1 9.792 -4.669 0.996
5 HG2 ARG 1 HG2 ARG 1 11.554 -4.412 -0.484
6 HG3 ARG 1 HG3 ARG 1 12.352 -4.164 1.048
7 HD2 ARG 1 HD2 ARG 1 12.814 -6.817 0.760
8 HD3 ARG 1 HD3 ARG 1 12.440 -6.444 -0.912
9 HE ARG 1 HE ARG 1 14.787 -5.606 0.671
10 HH11 ARG 1 HH11 ARG 1 13.085 -5.237 -2.430
11 HH12 ARG 1 HH12 ARG 1 14.240 -4.129 -3.087
12 HH21 ARG 1 HH21 ARG 1 16.342 -4.201 -0.206
13 HH22 ARG 1 HH22 ARG 1 16.119 -3.486 -1.772
14 HA PRO 2 HA PRO 2 8.521 -7.819 5.391
15 HB2 PRO 2 HB2 PRO 2 6.394 -6.425 6.369
16 HB3 PRO 2 HB3 PRO 2 8.055 -6.226 6.980
17 HG2 PRO 2 HG2 PRO 2 6.620 -4.554 4.896
18 HG3 PRO 2 HG3 PRO 2 7.524 -3.963 6.339
19 HD2 PRO 2 HD2 PRO 2 8.706 -4.019 3.904
20 HD3 PRO 2 HD3 PRO 2 9.614 -4.477 5.367
21 H ARG 3 H ARG 3 6.832 -9.260 5.150
22 HA ARG 3 HA ARG 3 5.632 -9.546 2.676
23 HB2 ARG 3 HB2 ARG 3 4.416 -11.352 3.563
24 HB3 ARG 3 HB3 ARG 3 5.932 -11.342 4.430
25 HG2 ARG 3 HG2 ARG 3 3.212 -10.417 5.472
26 HG3 ARG 3 HG3 ARG 3 4.068 -11.874 5.921
27 HD2 ARG 3 HD2 ARG 3 4.896 -9.049 6.614
28 HD3 ARG 3 HD3 ARG 3 4.276 -10.293 7.713
29 HE ARG 3 HE ARG 3 6.368 -11.611 6.766
30 HH11 ARG 3 HH11 ARG 3 6.217 -8.458 8.387
31 HH12 ARG 3 HH12 ARG 3 7.938 -8.398 8.626
32 HH21 ARG 3 HH21 ARG 3 8.536 -11.459 6.945
33 HH22 ARG 3 HH22 ARG 3 9.295 -10.235 7.914
34 H PHE 4 H PHE 4 4.324 -7.659 5.390
35 HA PHE 4 HA PHE 4 1.645 -7.730 4.432
36 HB2 PHE 4 HB2 PHE 4 1.182 -6.138 6.045
37 HB3 PHE 4 HB3 PHE 4 2.510 -7.032 6.741
38 HD1 PHE 4 HD2 PHE 4 1.561 -3.930 4.918
39 HD2 PHE 4 HD1 PHE 4 4.494 -5.856 7.398
40 HE1 PHE 4 HE2 PHE 4 2.666 -1.710 5.389
41 HE2 PHE 4 HE1 PHE 4 5.632 -3.664 7.769
42 HZ PHE 4 HZ PHE 4 4.683 -1.597 6.781
43 H CYS 5 H CYS 5 4.473 -5.933 3.389
44 HA CYS 5 HA CYS 5 3.006 -3.898 2.010
45 HB2 CYS 5 HB2 CYS 5 5.738 -4.491 2.742
46 HB3 CYS 5 HB3 CYS 5 5.693 -4.243 1.013
47 H GLU 6 H GLU 6 3.731 -7.210 1.240
48 HA GLU 6 HA GLU 6 3.588 -6.522 -1.685
49 HB2 GLU 6 HB2 GLU 6 4.803 -8.387 -2.214
50 HB3 GLU 6 HB3 GLU 6 5.582 -7.687 -0.800
51 HG2 GLU 6 HG2 GLU 6 4.155 -9.480 0.515
52 HG3 GLU 6 HG3 GLU 6 3.991 -10.262 -1.052
53 H LEU 7 H LEU 7 1.306 -7.007 0.463
54 HA LEU 7 HA LEU 7 -0.118 -9.240 -0.712
55 HB2 LEU 7 HB2 LEU 7 -1.173 -7.033 1.090
56 HB3 LEU 7 HB3 LEU 7 -1.882 -8.636 0.807
57 HG LEU 7 HG LEU 7 0.690 -7.979 2.280
58 HD11 LEU 7 HD11 LEU 7 -1.463 -7.556 3.439
59 HD12 LEU 7 HD12 LEU 7 -0.464 -8.778 4.229
60 HD13 LEU 7 HD13 LEU 7 -1.869 -9.274 3.258
61 HD21 LEU 7 HD21 LEU 7 0.855 -10.343 2.870
62 HD22 LEU 7 HD22 LEU 7 1.075 -10.088 1.146
63 HD23 LEU 7 HD23 LEU 7 -0.475 -10.734 1.747
64 H ALA 8 H ALA 8 -2.376 -8.907 -1.470
65 HA ALA 8 HA ALA 8 -2.467 -6.811 -3.581
66 HB1 ALA 8 HB1 ALA 8 -4.193 -8.226 -4.576
67 HB2 ALA 8 HB2 ALA 8 -2.663 -9.101 -4.375
68 HB3 ALA 8 HB3 ALA 8 -4.014 -9.391 -3.250
69 HA PRO 9 HA PRO 9 -5.392 -5.203 -0.457
70 HB2 PRO 9 HB2 PRO 9 -5.734 -2.685 -1.429
71 HB3 PRO 9 HB3 PRO 9 -4.262 -3.201 -0.555
72 HG2 PRO 9 HG2 PRO 9 -4.676 -2.957 -3.541
73 HG3 PRO 9 HG3 PRO 9 -3.269 -2.443 -2.557
74 HD2 PRO 9 HD2 PRO 9 -3.387 -4.819 -3.962
75 HD3 PRO 9 HD3 PRO 9 -2.404 -4.601 -2.489
76 H SER 10 H SER 10 -7.167 -6.512 -0.892
77 HA SER 10 HA SER 10 -8.691 -6.431 -3.305
78 HB2 SER 10 HB2 SER 10 -8.463 -8.407 -1.721
79 HB3 SER 10 HB3 SER 10 -9.533 -7.562 -0.607
80 HG SER 10 HG SER 10 -10.104 -8.501 -3.238
81 H ALA 11 H ALA 11 -8.902 -4.072 -3.382
82 HA ALA 11 HA ALA 11 -10.429 -2.507 -1.547
83 HB1 ALA 11 HB1 ALA 11 -9.848 -2.053 -4.510
84 HB2 ALA 11 HB2 ALA 11 -10.352 -0.824 -3.331
85 HB3 ALA 11 HB3 ALA 11 -8.768 -1.602 -3.171
86 H GLY 12 H GLY 12 -11.543 -5.021 -3.402
87 HA2 GLY 12 HA2 GLY 12 -14.187 -3.819 -4.044
88 HA3 GLY 12 HA3 GLY 12 -13.547 -5.359 -4.634
89 H SER 13 H SER 13 -12.587 -5.625 -1.593
90 HA SER 13 HA SER 13 -14.638 -7.419 -0.785
91 HB2 SER 13 HB2 SER 13 -12.206 -7.565 -0.310
92 HB3 SER 13 HB3 SER 13 -12.340 -6.154 0.732
93 HG SER 13 HG SER 13 -13.882 -7.470 1.992
94 H CYS 14 H CYS 14 -14.811 -4.067 -0.712
95 HA CYS 14 HA CYS 14 -17.039 -3.907 1.103
96 HB2 CYS 14 HB2 CYS 14 -14.852 -3.686 2.525
97 HB3 CYS 14 HB3 CYS 14 -14.669 -2.133 1.696
98 H PHE 15 H PHE 15 -17.696 -1.357 0.945
99 HA PHE 15 HA PHE 15 -16.724 -0.295 -1.671
100 HB2 PHE 15 HB2 PHE 15 -18.870 -1.464 -2.066
101 HB3 PHE 15 HB3 PHE 15 -19.627 -0.531 -0.790
102 HD1 PHE 15 HD1 PHE 15 -19.431 2.214 -1.135
103 HD2 PHE 15 HD2 PHE 15 -19.185 -0.755 -4.277
104 HE1 PHE 15 HE1 PHE 15 -19.806 3.941 -2.778
105 HE2 PHE 15 HE2 PHE 15 -19.733 0.999 -5.932
106 HZ PHE 15 HZ PHE 15 -20.003 3.359 -5.210
107 H ALA 16 H ALA 16 -15.635 1.375 -0.965
108 HA ALA 16 HA ALA 16 -16.925 3.538 0.387
109 HB1 ALA 16 HB1 ALA 16 -14.368 2.680 1.704
110 HB2 ALA 16 HB2 ALA 16 -15.678 3.668 2.338
111 HB3 ALA 16 HB3 ALA 16 -15.884 1.900 2.220
112 H PHE 17 H PHE 17 -15.314 5.488 0.248
113 HA PHE 17 HA PHE 17 -13.292 5.030 -1.927
114 HB2 PHE 17 HB2 PHE 17 -15.202 6.097 -2.854
115 HB3 PHE 17 HB3 PHE 17 -15.278 7.275 -1.542
116 HD1 PHE 17 HD2 PHE 17 -12.364 6.144 -3.682
117 HD2 PHE 17 HD1 PHE 17 -14.980 9.389 -2.556
118 HE1 PHE 17 HE2 PHE 17 -10.902 7.736 -4.881
119 HE2 PHE 17 HE1 PHE 17 -13.539 10.967 -3.810
120 HZ PHE 17 HZ PHE 17 -11.472 10.145 -4.929
121 H VAL 18 H VAL 18 -11.474 4.889 -0.639
122 HA VAL 18 HA VAL 18 -10.661 7.381 0.710
123 HB VAL 18 HB VAL 18 -9.636 5.923 2.519
124 HG11 VAL 18 HG11 VAL 18 -11.620 6.125 3.895
125 HG12 VAL 18 HG12 VAL 18 -11.596 7.487 2.769
126 HG13 VAL 18 HG13 VAL 18 -12.685 6.126 2.472
127 HG21 VAL 18 HG21 VAL 18 -10.876 3.881 3.133
128 HG22 VAL 18 HG22 VAL 18 -11.833 3.981 1.645
129 HG23 VAL 18 HG23 VAL 18 -10.081 3.671 1.569
130 HA PRO 19 HA PRO 19 -7.549 5.988 -2.327
131 HB2 PRO 19 HB2 PRO 19 -6.280 8.415 -2.659
132 HB3 PRO 19 HB3 PRO 19 -7.751 7.900 -3.545
133 HG2 PRO 19 HG2 PRO 19 -7.577 9.641 -1.074
134 HG3 PRO 19 HG3 PRO 19 -8.546 9.896 -2.561
135 HD2 PRO 19 HD2 PRO 19 -9.615 8.844 -0.307
136 HD3 PRO 19 HD3 PRO 19 -10.119 8.248 -1.922
137 H SER 20 H SER 20 -5.976 4.836 -1.436
138 HA SER 20 HA SER 20 -4.363 5.952 0.795
139 HB2 SER 20 HB2 SER 20 -5.159 3.065 0.490
140 HB3 SER 20 HB3 SER 20 -4.331 3.865 1.830
141 HG SER 20 HG SER 20 -6.952 4.507 0.947
142 H TYR 21 H TYR 21 -2.236 4.080 0.848
143 HA TYR 21 HA TYR 21 -0.985 4.546 -1.850
144 HB2 TYR 21 HB2 TYR 21 0.032 4.871 0.922
145 HB3 TYR 21 HB3 TYR 21 1.151 4.177 -0.233
146 HD1 TYR 21 HD2 TYR 21 1.977 5.529 -2.230
147 HD2 TYR 21 HD1 TYR 21 -0.681 7.163 0.775
148 HE1 TYR 21 HE2 TYR 21 2.414 7.784 -3.066
149 HE2 TYR 21 HE1 TYR 21 -0.149 9.427 0.002
150 HH TYR 21 HH TYR 21 2.195 10.106 -2.635
151 H TYR 22 H TYR 22 0.041 2.987 -2.888
152 HA TYR 22 HA TYR 22 -0.074 0.169 -1.923
153 HB2 TYR 22 HB2 TYR 22 -1.381 1.044 -4.051
154 HB3 TYR 22 HB3 TYR 22 0.154 1.268 -4.770
155 HD1 TYR 22 HD1 TYR 22 1.690 -0.930 -4.963
156 HD2 TYR 22 HD2 TYR 22 -2.569 -0.900 -4.375
157 HE1 TYR 22 HE1 TYR 22 1.591 -3.177 -5.895
158 HE2 TYR 22 HE2 TYR 22 -2.710 -3.166 -5.372
159 HH TYR 22 HH TYR 22 0.088 -4.775 -6.862
160 H TYR 23 H TYR 23 1.844 -1.028 -2.197
161 HA TYR 23 HA TYR 23 4.354 0.522 -2.849
162 HB2 TYR 23 HB2 TYR 23 4.463 -0.166 -0.619
163 HB3 TYR 23 HB3 TYR 23 3.780 -1.756 -0.973
164 HD1 TYR 23 HD1 TYR 23 6.858 0.364 -1.231
165 HD2 TYR 23 HD2 TYR 23 5.161 -3.578 -1.564
166 HE1 TYR 23 HE1 TYR 23 9.108 -0.632 -1.110
167 HE2 TYR 23 HE2 TYR 23 7.423 -4.563 -1.270
168 HH TYR 23 HH TYR 23 10.231 -2.743 -0.644
169 H ASN 24 H ASN 24 5.619 -0.068 -4.538
170 HA ASN 24 HA ASN 24 4.987 -2.609 -5.944
171 HB2 ASN 24 HB2 ASN 24 5.672 0.120 -7.026
172 HB3 ASN 24 HB3 ASN 24 6.144 -1.346 -7.905
173 HD21 ASN 24 HD21 ASN 24 4.651 -1.640 -9.581
174 HD22 ASN 24 HD22 ASN 24 2.911 -1.616 -9.304
175 H GLN 25 H GLN 25 6.397 -3.842 -4.820
176 HA GLN 25 HA GLN 25 9.074 -3.301 -4.110
177 HB2 GLN 25 HB2 GLN 25 9.390 -5.661 -3.842
178 HB3 GLN 25 HB3 GLN 25 7.857 -5.208 -3.168
179 HG2 GLN 25 HG2 GLN 25 8.219 -6.638 -5.798
180 HG3 GLN 25 HG3 GLN 25 7.810 -7.384 -4.265
181 HE21 GLN 25 HE21 GLN 25 5.796 -5.056 -3.568
182 HE22 GLN 25 HE22 GLN 25 4.486 -5.433 -4.686
183 H TYR 26 H TYR 26 7.658 -4.488 -7.179
184 HA TYR 26 HA TYR 26 10.102 -5.218 -8.403
185 HB2 TYR 26 HB2 TYR 26 7.489 -4.238 -9.601
186 HB3 TYR 26 HB3 TYR 26 8.799 -4.961 -10.520
187 HD1 TYR 26 HD2 TYR 26 9.693 -7.326 -9.347
188 HD2 TYR 26 HD1 TYR 26 5.703 -5.695 -9.205
189 HE1 TYR 26 HE2 TYR 26 8.787 -9.596 -9.060
190 HE2 TYR 26 HE1 TYR 26 4.785 -7.971 -8.818
191 HH TYR 26 HH TYR 26 6.876 -10.873 -9.050
192 H SER 27 H SER 27 8.827 -2.068 -7.699
193 HA SER 27 HA SER 27 10.907 -0.854 -9.480
194 HB2 SER 27 HB2 SER 27 8.532 -0.500 -10.201
195 HB3 SER 27 HB3 SER 27 8.263 0.397 -8.696
196 HG SER 27 HG SER 27 8.835 1.797 -10.385
197 H ASN 28 H ASN 28 10.378 -1.701 -6.395
198 HA ASN 28 HA ASN 28 10.947 -1.003 -4.341
199 HB2 ASN 28 HB2 ASN 28 13.141 -1.402 -5.491
200 HB3 ASN 28 HB3 ASN 28 13.213 0.295 -5.933
201 HD21 ASN 28 HD21 ASN 28 12.743 -1.605 -2.846
202 HD22 ASN 28 HD22 ASN 28 14.051 -0.719 -2.052
203 H THR 29 H THR 29 8.865 0.504 -5.190
204 HA THR 29 HA THR 29 9.293 2.998 -3.808
205 HB THR 29 HB THR 29 10.061 3.375 -6.203
206 HG1 THR 29 HG1 THR 29 9.675 5.291 -5.731
207 HG21 THR 29 HG21 THR 29 8.444 3.750 -7.938
208 HG22 THR 29 HG22 THR 29 7.086 3.390 -6.862
209 HG23 THR 29 HG23 THR 29 8.217 2.105 -7.344
210 H CYS 30 H CYS 30 6.970 4.262 -4.296
211 HA CYS 30 HA CYS 30 4.746 2.297 -4.043
212 HB2 CYS 30 HB2 CYS 30 5.257 4.694 -2.262
213 HB3 CYS 30 HB3 CYS 30 3.797 3.725 -2.231
214 H HIS 31 H HIS 31 2.608 3.462 -4.253
215 HA HIS 31 HA HIS 31 2.652 6.099 -5.484
216 HB2 HIS 31 HB2 HIS 31 3.166 4.131 -7.212
217 HB3 HIS 31 HB3 HIS 31 1.446 3.813 -7.081
218 HD1 HIS 31 HD1 HIS 31 0.494 4.834 -9.304
219 HD2 HIS 31 HD2 HIS 31 3.427 7.149 -7.386
220 HE1 HIS 31 HE1 HIS 31 0.725 6.949 -10.692
221 H SER 32 H SER 32 0.515 7.019 -5.489
222 HA SER 32 HA SER 32 -1.196 5.896 -3.446
223 HB2 SER 32 HB2 SER 32 -2.598 7.790 -3.824
224 HB3 SER 32 HB3 SER 32 -0.909 8.290 -3.689
225 HG SER 32 HG SER 32 -0.908 8.348 -6.101
226 H PHE 33 H PHE 33 -3.136 4.753 -3.639
227 HA PHE 33 HA PHE 33 -4.251 4.172 -6.301
228 HB2 PHE 33 HB2 PHE 33 -4.247 1.890 -6.097
229 HB3 PHE 33 HB3 PHE 33 -2.650 2.303 -5.523
230 HD1 PHE 33 HD2 PHE 33 -2.502 2.593 -2.851
231 HD2 PHE 33 HD1 PHE 33 -5.550 0.354 -4.885
232 HE1 PHE 33 HE2 PHE 33 -3.039 1.366 -0.739
233 HE2 PHE 33 HE1 PHE 33 -6.107 -0.804 -2.805
234 HZ PHE 33 HZ PHE 33 -4.807 -0.249 -0.667
235 H THR 34 H THR 34 -6.443 2.702 -5.669
236 HA THR 34 HA THR 34 -7.926 4.444 -3.740
237 HB THR 34 HB THR 34 -9.923 3.513 -5.069
238 HG1 THR 34 HG1 THR 34 -9.482 2.246 -6.590
239 HG21 THR 34 HG21 THR 34 -9.118 5.851 -5.252
240 HG22 THR 34 HG22 THR 34 -9.700 5.224 -6.800
241 HG23 THR 34 HG23 THR 34 -7.957 5.350 -6.500
242 H TYR 35 H TYR 35 -8.650 3.605 -1.835
243 HA TYR 35 HA TYR 35 -8.879 0.679 -1.634
244 HB2 TYR 35 HB2 TYR 35 -6.933 1.712 -0.378
245 HB3 TYR 35 HB3 TYR 35 -8.111 2.476 0.664
246 HD1 TYR 35 HD1 TYR 35 -7.363 -0.938 -0.815
247 HD2 TYR 35 HD2 TYR 35 -8.307 1.354 2.721
248 HE1 TYR 35 HE1 TYR 35 -7.012 -2.938 0.580
249 HE2 TYR 35 HE2 TYR 35 -8.045 -0.657 4.101
250 HH TYR 35 HH TYR 35 -7.497 -2.940 4.125
251 H SER 36 H SER 36 -10.417 0.098 0.364
252 HA SER 36 HA SER 36 -12.595 2.097 0.569
253 HB2 SER 36 HB2 SER 36 -12.821 -0.889 0.125
254 HB3 SER 36 HB3 SER 36 -14.172 0.198 0.482
255 HG SER 36 HG SER 36 -13.505 1.427 -1.410
256 H GLY 37 H GLY 37 -10.222 1.035 2.377
257 HA2 GLY 37 HA2 GLY 37 -9.877 1.091 4.664
258 HA3 GLY 37 HA3 GLY 37 -11.577 1.529 4.879
259 H CYS 38 H CYS 38 -13.160 -0.220 4.638
260 HA CYS 38 HA CYS 38 -12.523 -2.529 6.273
261 HB2 CYS 38 HB2 CYS 38 -14.930 -3.149 5.411
262 HB3 CYS 38 HB3 CYS 38 -14.703 -1.800 6.514
263 H GLY 39 H GLY 39 -12.523 -4.813 5.497
264 HA2 GLY 39 HA2 GLY 39 -12.053 -6.450 3.925
265 HA3 GLY 39 HA3 GLY 39 -12.575 -5.333 2.653
266 H GLY 40 H GLY 40 -10.672 -6.328 1.517
267 HA2 GLY 40 HA2 GLY 40 -8.681 -5.955 0.540
268 HA3 GLY 40 HA3 GLY 40 -8.487 -4.513 1.519
269 H ASN 41 H ASN 41 -6.200 -5.137 1.467
270 HA ASN 41 HA ASN 41 -5.493 -7.041 3.609
271 HB2 ASN 41 HB2 ASN 41 -4.241 -6.945 0.816
272 HB3 ASN 41 HB3 ASN 41 -3.402 -7.543 2.208
273 HD21 ASN 41 HD21 ASN 41 -5.525 -8.629 -0.253
274 HD22 ASN 41 HD22 ASN 41 -6.026 -10.108 0.542
275 H ALA 42 H ALA 42 -3.330 -6.670 4.405
276 HA ALA 42 HA ALA 42 -2.921 -4.121 5.241
277 HB1 ALA 42 HB1 ALA 42 -0.869 -4.911 6.222
278 HB2 ALA 42 HB2 ALA 42 -2.075 -6.206 6.292
279 HB3 ALA 42 HB3 ALA 42 -0.776 -6.252 5.064
280 H ASN 43 H ASN 43 -2.091 -4.962 1.992
281 HA ASN 43 HA ASN 43 0.292 -3.381 1.726
282 HB2 ASN 43 HB2 ASN 43 -0.375 -5.026 0.070
283 HB3 ASN 43 HB3 ASN 43 -1.806 -4.066 -0.354
284 HD21 ASN 43 HD21 ASN 43 -1.309 -3.378 -2.516
285 HD22 ASN 43 HD22 ASN 43 0.243 -2.755 -2.955
286 H ARG 44 H ARG 44 -2.747 -2.332 2.674
287 HA ARG 44 HA ARG 44 -2.688 0.231 1.194
288 HB2 ARG 44 HB2 ARG 44 -4.883 -0.573 1.679
289 HB3 ARG 44 HB3 ARG 44 -4.487 -0.957 3.351
290 HG2 ARG 44 HG2 ARG 44 -4.162 1.904 2.486
291 HG3 ARG 44 HG3 ARG 44 -5.790 1.328 2.549
292 HD2 ARG 44 HD2 ARG 44 -3.844 1.442 4.879
293 HD3 ARG 44 HD3 ARG 44 -5.276 2.439 4.610
294 HE ARG 44 HE ARG 44 -5.869 -0.381 4.660
295 HH11 ARG 44 HH11 ARG 44 -5.049 2.298 6.902
296 HH12 ARG 44 HH12 ARG 44 -6.050 1.657 8.154
297 HH21 ARG 44 HH21 ARG 44 -7.113 -1.217 6.516
298 HH22 ARG 44 HH22 ARG 44 -7.081 -0.288 7.986
299 H PHE 45 H PHE 45 -1.657 1.985 1.919
300 HA PHE 45 HA PHE 45 -0.733 2.149 4.749
301 HB2 PHE 45 HB2 PHE 45 0.805 3.362 2.465
302 HB3 PHE 45 HB3 PHE 45 1.375 3.000 4.079
303 HD1 PHE 45 HD1 PHE 45 0.784 0.197 4.573
304 HD2 PHE 45 HD2 PHE 45 1.775 2.106 0.826
305 HE1 PHE 45 HE1 PHE 45 1.425 -1.995 3.593
306 HE2 PHE 45 HE2 PHE 45 2.401 -0.058 -0.082
307 HZ PHE 45 HZ PHE 45 2.305 -2.099 1.266
308 H ARG 46 H ARG 46 -0.075 4.590 5.169
309 HA ARG 46 HA ARG 46 -2.389 6.225 4.219
310 HB2 ARG 46 HB2 ARG 46 -1.754 7.646 6.302
311 HB3 ARG 46 HB3 ARG 46 -2.725 6.197 6.424
312 HG2 ARG 46 HG2 ARG 46 -1.134 6.379 8.258
313 HG3 ARG 46 HG3 ARG 46 -0.928 4.907 7.330
314 HD2 ARG 46 HD2 ARG 46 1.244 5.755 7.925
315 HD3 ARG 46 HD3 ARG 46 1.065 5.939 6.198
316 HE ARG 46 HE ARG 46 0.965 8.263 6.398
317 HH11 ARG 46 HH11 ARG 46 1.419 6.744 9.670
318 HH12 ARG 46 HH12 ARG 46 1.802 8.293 10.354
319 HH21 ARG 46 HH21 ARG 46 1.297 10.255 7.542
320 HH22 ARG 46 HH22 ARG 46 1.807 10.198 9.202
321 H THR 47 H THR 47 1.097 6.066 3.981
322 HA THR 47 HA THR 47 0.958 8.280 2.247
323 HB THR 47 HB THR 47 1.130 9.443 4.478
324 HG1 THR 47 HG1 THR 47 1.915 10.650 2.853
325 HG21 THR 47 HG21 THR 47 3.992 8.471 4.559
326 HG22 THR 47 HG22 THR 47 2.753 7.566 5.387
327 HG23 THR 47 HG23 THR 47 3.074 9.268 5.834
328 H ILE 48 H ILE 48 2.988 8.592 1.122
329 HA ILE 48 HA ILE 48 4.273 6.160 0.573
330 HB ILE 48 HB ILE 48 4.017 7.609 -1.215
331 HG12 ILE 48 HG12 ILE 48 6.973 7.686 -0.509
332 HG13 ILE 48 HG13 ILE 48 6.125 6.284 -1.092
333 HG21 ILE 48 HG21 ILE 48 5.596 9.757 0.255
334 HG22 ILE 48 HG22 ILE 48 4.952 9.886 -1.388
335 HG23 ILE 48 HG23 ILE 48 3.842 9.798 -0.035
336 HD11 ILE 48 HD11 ILE 48 6.577 8.878 -2.596
337 HD12 ILE 48 HD12 ILE 48 7.183 7.266 -2.995
338 HD13 ILE 48 HD13 ILE 48 5.451 7.612 -3.149
339 H ASP 49 H ASP 49 4.998 8.909 2.631
340 HA ASP 49 HA ASP 49 7.762 8.461 3.016
341 HB2 ASP 49 HB2 ASP 49 5.828 9.728 4.966
342 HB3 ASP 49 HB3 ASP 49 7.583 9.876 4.973
343 H GLU 50 H GLU 50 4.921 6.936 4.543
344 HA GLU 50 HA GLU 50 6.524 5.581 6.557
345 HB2 GLU 50 HB2 GLU 50 4.030 6.349 6.778
346 HB3 GLU 50 HB3 GLU 50 3.638 4.996 5.758
347 HG2 GLU 50 HG2 GLU 50 3.323 4.315 8.017
348 HG3 GLU 50 HG3 GLU 50 4.761 3.472 7.439
349 H CYS 51 H CYS 51 4.733 4.804 3.518
350 HA CYS 51 HA CYS 51 5.271 2.074 3.654
351 HB2 CYS 51 HB2 CYS 51 4.335 1.884 1.514
352 HB3 CYS 51 HB3 CYS 51 3.578 3.365 2.184
353 H ASN 52 H ASN 52 7.164 4.680 2.163
354 HA ASN 52 HA ASN 52 8.976 2.801 1.000
355 HB2 ASN 52 HB2 ASN 52 9.988 4.497 -0.077
356 HB3 ASN 52 HB3 ASN 52 8.444 5.262 0.239
357 HD21 ASN 52 HD21 ASN 52 8.400 6.996 1.591
358 HD22 ASN 52 HD22 ASN 52 9.805 7.813 2.226
359 H ARG 53 H ARG 53 9.262 5.046 3.818
360 HA ARG 53 HA ARG 53 11.725 4.039 4.629
361 HB2 ARG 53 HB2 ARG 53 11.526 5.181 6.595
362 HB3 ARG 53 HB3 ARG 53 10.386 6.034 5.556
363 HG2 ARG 53 HG2 ARG 53 8.535 4.693 6.625
364 HG3 ARG 53 HG3 ARG 53 9.709 4.031 7.757
365 HD2 ARG 53 HD2 ARG 53 9.037 6.983 7.398
366 HD3 ARG 53 HD3 ARG 53 8.448 5.941 8.708
367 HE ARG 53 HE ARG 53 11.191 5.695 8.842
368 HH11 ARG 53 HH11 ARG 53 8.849 8.284 9.328
369 HH12 ARG 53 HH12 ARG 53 9.938 9.339 10.175
370 HH21 ARG 53 HH21 ARG 53 12.719 7.159 9.692
371 HH22 ARG 53 HH22 ARG 53 12.206 8.627 10.479
372 H THR 54 H THR 54 8.642 2.369 5.025
373 HA THR 54 HA THR 54 9.947 0.388 6.757
374 HB THR 54 HB THR 54 7.743 1.457 7.255
375 HG1 THR 54 HG1 THR 54 7.883 -1.352 7.155
376 HG21 THR 54 HG21 THR 54 6.846 0.858 4.833
377 HG22 THR 54 HG22 THR 54 5.765 0.787 6.231
378 HG23 THR 54 HG23 THR 54 6.485 -0.700 5.570
379 H CYS 55 H CYS 55 9.380 0.579 3.309
380 HA CYS 55 HA CYS 55 9.981 -2.326 3.143
381 HB2 CYS 55 HB2 CYS 55 7.887 -1.029 1.384
382 HB3 CYS 55 HB3 CYS 55 8.314 -2.746 1.498
383 H VAL 56 H VAL 56 10.369 0.854 1.801
384 HA VAL 56 HA VAL 56 11.579 -0.154 -0.727
385 HB VAL 56 HB VAL 56 11.151 2.629 0.371
386 HG11 VAL 56 HG11 VAL 56 11.899 3.493 -1.829
387 HG12 VAL 56 HG12 VAL 56 13.198 2.841 -0.834
388 HG13 VAL 56 HG13 VAL 56 12.566 1.878 -2.181
389 HG21 VAL 56 HG21 VAL 56 9.148 1.469 -0.596
390 HG22 VAL 56 HG22 VAL 56 9.646 2.836 -1.583
391 HG23 VAL 56 HG23 VAL 56 10.063 1.196 -2.090
392 H GLY 57 H GLY 57 13.034 -1.498 0.261
393 HA2 GLY 57 HA2 GLY 57 15.099 -0.480 2.094
394 HA3 GLY 57 HA3 GLY 57 14.932 -2.145 1.468
Start of MODEL 12
1 H1 ARG 1 H ARG 1 12.783 -5.007 1.850
2 HA ARG 1 HA ARG 1 10.655 -4.297 2.758
3 HB2 ARG 1 HB2 ARG 1 9.203 -4.820 0.804
4 HB3 ARG 1 HB3 ARG 1 10.696 -4.012 0.489
5 HG2 ARG 1 HG2 ARG 1 10.824 -6.975 0.089
6 HG3 ARG 1 HG3 ARG 1 9.762 -6.068 -0.962
7 HD2 ARG 1 HD2 ARG 1 11.650 -5.917 -2.222
8 HD3 ARG 1 HD3 ARG 1 11.748 -4.437 -1.348
9 HE ARG 1 HE ARG 1 13.661 -5.178 -0.228
10 HH11 ARG 1 HH11 ARG 1 12.173 -7.850 -2.025
11 HH12 ARG 1 HH12 ARG 1 13.615 -8.816 -2.089
12 HH21 ARG 1 HH21 ARG 1 15.619 -6.466 -0.287
13 HH22 ARG 1 HH22 ARG 1 15.608 -7.955 -1.184
14 HA PRO 2 HA PRO 2 8.975 -7.637 5.152
15 HB2 PRO 2 HB2 PRO 2 6.802 -6.317 6.230
16 HB3 PRO 2 HB3 PRO 2 8.480 -6.071 6.798
17 HG2 PRO 2 HG2 PRO 2 6.923 -4.427 4.837
18 HG3 PRO 2 HG3 PRO 2 7.906 -3.841 6.218
19 HD2 PRO 2 HD2 PRO 2 8.959 -3.835 3.735
20 HD3 PRO 2 HD3 PRO 2 9.946 -4.345 5.125
21 H ARG 3 H ARG 3 7.302 -9.129 5.022
22 HA ARG 3 HA ARG 3 6.040 -9.408 2.544
23 HB2 ARG 3 HB2 ARG 3 4.949 -11.383 3.443
24 HB3 ARG 3 HB3 ARG 3 6.628 -11.294 3.949
25 HG2 ARG 3 HG2 ARG 3 5.607 -11.988 5.886
26 HG3 ARG 3 HG3 ARG 3 5.713 -10.254 6.160
27 HD2 ARG 3 HD2 ARG 3 3.597 -10.774 6.922
28 HD3 ARG 3 HD3 ARG 3 3.237 -10.177 5.320
29 HE ARG 3 HE ARG 3 2.750 -12.353 4.553
30 HH11 ARG 3 HH11 ARG 3 3.794 -12.492 7.986
31 HH12 ARG 3 HH12 ARG 3 2.880 -13.923 8.287
32 HH21 ARG 3 HH21 ARG 3 1.656 -14.173 4.970
33 HH22 ARG 3 HH22 ARG 3 1.598 -14.951 6.524
34 H PHE 4 H PHE 4 4.819 -7.636 5.344
35 HA PHE 4 HA PHE 4 2.072 -7.992 4.595
36 HB2 PHE 4 HB2 PHE 4 1.532 -6.539 6.303
37 HB3 PHE 4 HB3 PHE 4 2.951 -7.355 6.888
38 HD1 PHE 4 HD2 PHE 4 1.649 -4.197 5.402
39 HD2 PHE 4 HD1 PHE 4 4.946 -6.073 7.438
40 HE1 PHE 4 HE2 PHE 4 2.666 -1.981 5.757
41 HE2 PHE 4 HE1 PHE 4 6.029 -3.850 7.702
42 HZ PHE 4 HZ PHE 4 4.897 -1.804 6.875
43 H CYS 5 H CYS 5 4.608 -5.778 3.376
44 HA CYS 5 HA CYS 5 2.504 -4.009 2.373
45 HB2 CYS 5 HB2 CYS 5 4.322 -2.666 1.469
46 HB3 CYS 5 HB3 CYS 5 4.295 -2.889 3.220
47 H GLU 6 H GLU 6 3.852 -6.874 1.282
48 HA GLU 6 HA GLU 6 3.469 -6.152 -1.607
49 HB2 GLU 6 HB2 GLU 6 4.747 -8.231 -2.035
50 HB3 GLU 6 HB3 GLU 6 5.619 -7.049 -1.044
51 HG2 GLU 6 HG2 GLU 6 5.132 -8.248 0.981
52 HG3 GLU 6 HG3 GLU 6 4.083 -9.402 0.142
53 H LEU 7 H LEU 7 1.311 -6.748 0.495
54 HA LEU 7 HA LEU 7 0.158 -9.316 -0.443
55 HB2 LEU 7 HB2 LEU 7 -0.964 -7.291 1.514
56 HB3 LEU 7 HB3 LEU 7 -1.562 -8.932 1.222
57 HG LEU 7 HG LEU 7 1.091 -8.165 2.473
58 HD11 LEU 7 HD11 LEU 7 -0.877 -7.875 3.925
59 HD12 LEU 7 HD12 LEU 7 0.162 -9.188 4.498
60 HD13 LEU 7 HD13 LEU 7 -1.340 -9.571 3.642
61 HD21 LEU 7 HD21 LEU 7 1.408 -10.251 1.251
62 HD22 LEU 7 HD22 LEU 7 -0.027 -10.952 2.058
63 HD23 LEU 7 HD23 LEU 7 1.432 -10.525 2.989
64 H ALA 8 H ALA 8 -2.484 -9.008 -0.738
65 HA ALA 8 HA ALA 8 -2.686 -7.086 -3.006
66 HB1 ALA 8 HB1 ALA 8 -3.092 -9.254 -3.732
67 HB2 ALA 8 HB2 ALA 8 -4.165 -9.614 -2.354
68 HB3 ALA 8 HB3 ALA 8 -4.665 -8.439 -3.605
69 HA PRO 9 HA PRO 9 -5.280 -4.975 0.082
70 HB2 PRO 9 HB2 PRO 9 -5.138 -2.449 -0.825
71 HB3 PRO 9 HB3 PRO 9 -3.725 -3.246 -0.128
72 HG2 PRO 9 HG2 PRO 9 -4.448 -2.994 -3.078
73 HG3 PRO 9 HG3 PRO 9 -2.890 -2.599 -2.291
74 HD2 PRO 9 HD2 PRO 9 -3.366 -4.996 -3.505
75 HD3 PRO 9 HD3 PRO 9 -2.263 -4.786 -2.119
76 H SER 10 H SER 10 -6.872 -6.573 -1.260
77 HA SER 10 HA SER 10 -8.494 -5.799 -3.359
78 HB2 SER 10 HB2 SER 10 -8.532 -8.043 -2.356
79 HB3 SER 10 HB3 SER 10 -9.327 -7.414 -0.911
80 HG SER 10 HG SER 10 -10.316 -8.089 -3.363
81 H ALA 11 H ALA 11 -9.290 -3.774 -3.484
82 HA ALA 11 HA ALA 11 -10.626 -2.547 -1.187
83 HB1 ALA 11 HB1 ALA 11 -10.096 -1.530 -4.011
84 HB2 ALA 11 HB2 ALA 11 -10.767 -0.566 -2.686
85 HB3 ALA 11 HB3 ALA 11 -9.109 -1.212 -2.570
86 H GLY 12 H GLY 12 -11.575 -4.764 -3.492
87 HA2 GLY 12 HA2 GLY 12 -14.244 -3.633 -4.052
88 HA3 GLY 12 HA3 GLY 12 -13.560 -5.133 -4.692
89 H SER 13 H SER 13 -12.895 -5.401 -1.526
90 HA SER 13 HA SER 13 -14.959 -7.331 -1.042
91 HB2 SER 13 HB2 SER 13 -12.942 -5.977 0.762
92 HB3 SER 13 HB3 SER 13 -13.913 -7.380 1.237
93 HG SER 13 HG SER 13 -12.202 -7.428 -1.057
94 H CYS 14 H CYS 14 -14.460 -3.966 0.112
95 HA CYS 14 HA CYS 14 -17.238 -3.915 1.187
96 HB2 CYS 14 HB2 CYS 14 -14.729 -2.611 2.306
97 HB3 CYS 14 HB3 CYS 14 -16.370 -2.421 2.922
98 H PHE 15 H PHE 15 -18.146 -1.581 1.158
99 HA PHE 15 HA PHE 15 -16.969 -0.227 -1.248
100 HB2 PHE 15 HB2 PHE 15 -19.218 -0.901 -1.696
101 HB3 PHE 15 HB3 PHE 15 -19.787 -0.199 -0.176
102 HD1 PHE 15 HD2 PHE 15 -17.401 1.275 -2.734
103 HD2 PHE 15 HD1 PHE 15 -21.245 1.584 -0.794
104 HE1 PHE 15 HE2 PHE 15 -17.782 3.426 -3.839
105 HE2 PHE 15 HE1 PHE 15 -21.663 3.692 -1.964
106 HZ PHE 15 HZ PHE 15 -19.932 4.629 -3.523
107 H ALA 16 H ALA 16 -15.575 1.138 -0.554
108 HA ALA 16 HA ALA 16 -16.347 3.453 0.998
109 HB1 ALA 16 HB1 ALA 16 -14.223 1.463 1.835
110 HB2 ALA 16 HB2 ALA 16 -14.033 3.190 2.188
111 HB3 ALA 16 HB3 ALA 16 -15.422 2.285 2.823
112 H PHE 17 H PHE 17 -14.877 5.198 0.390
113 HA PHE 17 HA PHE 17 -13.118 4.631 -1.961
114 HB2 PHE 17 HB2 PHE 17 -15.215 5.365 -2.845
115 HB3 PHE 17 HB3 PHE 17 -15.353 6.653 -1.651
116 HD1 PHE 17 HD2 PHE 17 -12.582 5.661 -4.017
117 HD2 PHE 17 HD1 PHE 17 -15.316 8.737 -2.731
118 HE1 PHE 17 HE2 PHE 17 -11.444 7.279 -5.496
119 HE2 PHE 17 HE1 PHE 17 -14.260 10.319 -4.301
120 HZ PHE 17 HZ PHE 17 -12.336 9.604 -5.690
121 H VAL 18 H VAL 18 -11.169 4.868 -0.828
122 HA VAL 18 HA VAL 18 -10.629 7.585 0.079
123 HB VAL 18 HB VAL 18 -9.312 6.533 2.007
124 HG11 VAL 18 HG11 VAL 18 -12.352 6.481 2.230
125 HG12 VAL 18 HG12 VAL 18 -11.184 6.775 3.530
126 HG13 VAL 18 HG13 VAL 18 -11.378 7.958 2.203
127 HG21 VAL 18 HG21 VAL 18 -9.609 4.133 1.396
128 HG22 VAL 18 HG22 VAL 18 -10.255 4.499 3.012
129 HG23 VAL 18 HG23 VAL 18 -11.357 4.292 1.645
130 HA PRO 19 HA PRO 19 -7.347 6.236 -2.661
131 HB2 PRO 19 HB2 PRO 19 -5.712 8.440 -2.620
132 HB3 PRO 19 HB3 PRO 19 -7.238 8.357 -3.560
133 HG2 PRO 19 HG2 PRO 19 -6.808 9.588 -0.828
134 HG3 PRO 19 HG3 PRO 19 -7.655 10.288 -2.238
135 HD2 PRO 19 HD2 PRO 19 -9.010 9.026 -0.231
136 HD3 PRO 19 HD3 PRO 19 -9.521 8.854 -1.943
137 H SER 20 H SER 20 -5.656 4.993 -2.063
138 HA SER 20 HA SER 20 -4.252 5.529 0.515
139 HB2 SER 20 HB2 SER 20 -5.934 3.745 0.712
140 HB3 SER 20 HB3 SER 20 -5.098 2.875 -0.603
141 HG SER 20 HG SER 20 -3.867 3.616 1.851
142 H TYR 21 H TYR 21 -2.270 3.682 0.349
143 HA TYR 21 HA TYR 21 -0.816 4.504 -2.155
144 HB2 TYR 21 HB2 TYR 21 0.013 4.622 0.690
145 HB3 TYR 21 HB3 TYR 21 1.204 4.072 -0.484
146 HD1 TYR 21 HD2 TYR 21 2.049 5.664 -2.313
147 HD2 TYR 21 HD1 TYR 21 -0.845 6.870 0.684
148 HE1 TYR 21 HE2 TYR 21 2.305 8.012 -2.983
149 HE2 TYR 21 HE1 TYR 21 -0.510 9.205 0.079
150 HH TYR 21 HH TYR 21 0.562 10.696 -1.385
151 H TYR 22 H TYR 22 0.087 3.016 -3.273
152 HA TYR 22 HA TYR 22 -0.149 0.192 -2.412
153 HB2 TYR 22 HB2 TYR 22 -1.264 1.219 -4.564
154 HB3 TYR 22 HB3 TYR 22 0.336 1.155 -5.249
155 HD1 TYR 22 HD1 TYR 22 1.624 -1.200 -4.876
156 HD2 TYR 22 HD2 TYR 22 -2.648 -0.659 -4.789
157 HE1 TYR 22 HE1 TYR 22 1.360 -3.583 -4.978
158 HE2 TYR 22 HE2 TYR 22 -2.954 -3.089 -5.067
159 HH TYR 22 HH TYR 22 -0.166 -5.350 -4.845
160 H TYR 23 H TYR 23 1.695 -0.874 -2.026
161 HA TYR 23 HA TYR 23 4.290 0.471 -2.592
162 HB2 TYR 23 HB2 TYR 23 3.972 -0.413 -0.373
163 HB3 TYR 23 HB3 TYR 23 3.541 -1.985 -1.017
164 HD1 TYR 23 HD1 TYR 23 6.400 0.477 -1.501
165 HD2 TYR 23 HD2 TYR 23 5.188 -3.618 -0.866
166 HE1 TYR 23 HE1 TYR 23 8.742 -0.248 -1.672
167 HE2 TYR 23 HE2 TYR 23 7.535 -4.322 -0.865
168 HH TYR 23 HH TYR 23 10.252 -2.064 -1.462
169 H ASN 24 H ASN 24 5.665 -0.057 -4.266
170 HA ASN 24 HA ASN 24 5.206 -2.624 -5.711
171 HB2 ASN 24 HB2 ASN 24 5.487 0.147 -6.834
172 HB3 ASN 24 HB3 ASN 24 6.232 -1.203 -7.685
173 HD21 ASN 24 HD21 ASN 24 4.925 -1.886 -9.375
174 HD22 ASN 24 HD22 ASN 24 3.210 -2.166 -9.191
175 H GLN 25 H GLN 25 6.738 -3.637 -4.489
176 HA GLN 25 HA GLN 25 9.386 -2.820 -4.025
177 HB2 GLN 25 HB2 GLN 25 9.881 -5.098 -3.520
178 HB3 GLN 25 HB3 GLN 25 8.312 -4.730 -2.866
179 HG2 GLN 25 HG2 GLN 25 8.865 -6.410 -5.316
180 HG3 GLN 25 HG3 GLN 25 8.424 -6.975 -3.721
181 HE21 GLN 25 HE21 GLN 25 6.113 -4.816 -3.360
182 HE22 GLN 25 HE22 GLN 25 4.997 -5.373 -4.581
183 H TYR 26 H TYR 26 7.879 -4.253 -6.904
184 HA TYR 26 HA TYR 26 10.140 -5.083 -8.300
185 HB2 TYR 26 HB2 TYR 26 7.639 -3.728 -9.381
186 HB3 TYR 26 HB3 TYR 26 8.760 -4.706 -10.310
187 HD1 TYR 26 HD2 TYR 26 9.249 -7.148 -8.983
188 HD2 TYR 26 HD1 TYR 26 5.605 -4.807 -8.951
189 HE1 TYR 26 HE2 TYR 26 7.925 -9.204 -8.599
190 HE2 TYR 26 HE1 TYR 26 4.295 -6.860 -8.539
191 HH TYR 26 HH TYR 26 4.353 -9.138 -8.270
192 H SER 27 H SER 27 8.902 -1.816 -7.761
193 HA SER 27 HA SER 27 11.166 -0.752 -9.418
194 HB2 SER 27 HB2 SER 27 8.807 -0.366 -10.254
195 HB3 SER 27 HB3 SER 27 8.571 0.683 -8.842
196 HG SER 27 HG SER 27 10.601 0.919 -10.834
197 H ASN 28 H ASN 28 10.594 -1.412 -6.329
198 HA ASN 28 HA ASN 28 11.188 -0.607 -4.325
199 HB2 ASN 28 HB2 ASN 28 13.392 -0.957 -5.389
200 HB3 ASN 28 HB3 ASN 28 13.322 0.615 -6.157
201 HD21 ASN 28 HD21 ASN 28 13.339 -0.748 -2.788
202 HD22 ASN 28 HD22 ASN 28 14.539 0.422 -2.253
203 H THR 29 H THR 29 8.993 0.742 -5.176
204 HA THR 29 HA THR 29 9.342 3.305 -3.882
205 HB THR 29 HB THR 29 9.916 3.717 -6.314
206 HG1 THR 29 HG1 THR 29 8.303 5.530 -6.379
207 HG21 THR 29 HG21 THR 29 8.207 2.195 -7.323
208 HG22 THR 29 HG22 THR 29 8.159 3.840 -7.964
209 HG23 THR 29 HG23 THR 29 6.932 3.316 -6.802
210 H CYS 30 H CYS 30 6.962 4.411 -4.216
211 HA CYS 30 HA CYS 30 4.832 2.430 -3.760
212 HB2 CYS 30 HB2 CYS 30 6.048 3.542 -1.609
213 HB3 CYS 30 HB3 CYS 30 4.977 4.879 -2.040
214 H HIS 31 H HIS 31 2.772 3.365 -4.397
215 HA HIS 31 HA HIS 31 2.849 6.079 -5.575
216 HB2 HIS 31 HB2 HIS 31 3.481 4.116 -7.178
217 HB3 HIS 31 HB3 HIS 31 1.776 3.673 -7.082
218 HD1 HIS 31 HD1 HIS 31 0.981 4.362 -9.502
219 HD2 HIS 31 HD2 HIS 31 3.437 7.156 -7.519
220 HE1 HIS 31 HE1 HIS 31 1.131 6.354 -11.034
221 H SER 32 H SER 32 0.808 7.084 -5.566
222 HA SER 32 HA SER 32 -1.059 5.997 -3.671
223 HB2 SER 32 HB2 SER 32 -2.424 7.899 -4.175
224 HB3 SER 32 HB3 SER 32 -0.745 8.382 -3.912
225 HG SER 32 HG SER 32 -0.534 8.406 -6.268
226 H PHE 33 H PHE 33 -3.037 4.966 -3.947
227 HA PHE 33 HA PHE 33 -4.091 4.495 -6.636
228 HB2 PHE 33 HB2 PHE 33 -4.041 2.215 -6.681
229 HB3 PHE 33 HB3 PHE 33 -2.479 2.562 -5.968
230 HD1 PHE 33 HD2 PHE 33 -2.555 2.699 -3.261
231 HD2 PHE 33 HD1 PHE 33 -5.306 0.503 -5.759
232 HE1 PHE 33 HE2 PHE 33 -3.230 1.342 -1.324
233 HE2 PHE 33 HE1 PHE 33 -5.982 -0.855 -3.792
234 HZ PHE 33 HZ PHE 33 -5.018 -0.350 -1.565
235 H THR 34 H THR 34 -6.333 2.962 -6.034
236 HA THR 34 HA THR 34 -7.762 4.699 -4.055
237 HB THR 34 HB THR 34 -9.777 3.727 -5.326
238 HG1 THR 34 HG1 THR 34 -9.516 2.763 -7.092
239 HG21 THR 34 HG21 THR 34 -9.044 6.070 -5.550
240 HG22 THR 34 HG22 THR 34 -9.622 5.428 -7.093
241 HG23 THR 34 HG23 THR 34 -7.878 5.603 -6.803
242 H TYR 35 H TYR 35 -8.561 3.799 -2.161
243 HA TYR 35 HA TYR 35 -8.628 0.874 -2.091
244 HB2 TYR 35 HB2 TYR 35 -6.657 1.614 -1.029
245 HB3 TYR 35 HB3 TYR 35 -7.596 2.594 0.093
246 HD1 TYR 35 HD1 TYR 35 -6.811 -1.064 -0.785
247 HD2 TYR 35 HD2 TYR 35 -8.469 1.724 2.020
248 HE1 TYR 35 HE1 TYR 35 -6.802 -2.797 0.913
249 HE2 TYR 35 HE2 TYR 35 -8.668 -0.126 3.710
250 HH TYR 35 HH TYR 35 -7.299 -3.369 3.296
251 H SER 36 H SER 36 -9.908 0.143 -0.049
252 HA SER 36 HA SER 36 -12.379 1.754 0.287
253 HB2 SER 36 HB2 SER 36 -12.727 -0.152 -1.105
254 HB3 SER 36 HB3 SER 36 -11.871 -1.228 0.019
255 HG SER 36 HG SER 36 -14.288 -1.132 -0.082
256 H GLY 37 H GLY 37 -12.602 -0.755 2.376
257 HA2 GLY 37 HA2 GLY 37 -10.961 0.533 4.539
258 HA3 GLY 37 HA3 GLY 37 -12.680 0.231 4.742
259 H CYS 38 H CYS 38 -13.352 -2.139 4.359
260 HA CYS 38 HA CYS 38 -11.431 -3.880 5.765
261 HB2 CYS 38 HB2 CYS 38 -13.508 -5.362 5.900
262 HB3 CYS 38 HB3 CYS 38 -13.400 -3.912 6.870
263 H GLY 39 H GLY 39 -11.547 -6.258 5.126
264 HA2 GLY 39 HA2 GLY 39 -11.454 -7.961 3.540
265 HA3 GLY 39 HA3 GLY 39 -11.811 -6.798 2.258
266 H GLY 40 H GLY 40 -10.127 -5.152 1.798
267 HA2 GLY 40 HA2 GLY 40 -7.888 -6.266 0.740
268 HA3 GLY 40 HA3 GLY 40 -8.019 -4.554 1.172
269 H ASN 41 H ASN 41 -5.908 -6.857 1.291
270 HA ASN 41 HA ASN 41 -5.165 -7.283 3.990
271 HB2 ASN 41 HB2 ASN 41 -3.549 -7.331 1.420
272 HB3 ASN 41 HB3 ASN 41 -3.008 -7.995 2.941
273 HD21 ASN 41 HD21 ASN 41 -5.700 -9.235 3.754
274 HD22 ASN 41 HD22 ASN 41 -5.761 -10.613 2.704
275 H ALA 42 H ALA 42 -2.928 -6.813 4.743
276 HA ALA 42 HA ALA 42 -2.633 -4.213 5.553
277 HB1 ALA 42 HB1 ALA 42 -0.464 -6.319 5.410
278 HB2 ALA 42 HB2 ALA 42 -0.538 -4.938 6.523
279 HB3 ALA 42 HB3 ALA 42 -1.739 -6.234 6.658
280 H ASN 43 H ASN 43 -1.916 -5.050 2.389
281 HA ASN 43 HA ASN 43 0.508 -3.571 1.918
282 HB2 ASN 43 HB2 ASN 43 -0.358 -5.223 0.364
283 HB3 ASN 43 HB3 ASN 43 -1.803 -4.288 0.086
284 HD21 ASN 43 HD21 ASN 43 -0.631 -1.648 -0.568
285 HD22 ASN 43 HD22 ASN 43 -0.011 -2.068 -2.188
286 H ARG 44 H ARG 44 -2.610 -2.562 2.911
287 HA ARG 44 HA ARG 44 -2.687 -0.010 1.700
288 HB2 ARG 44 HB2 ARG 44 -4.572 -1.274 3.049
289 HB3 ARG 44 HB3 ARG 44 -3.718 -0.780 4.508
290 HG2 ARG 44 HG2 ARG 44 -4.008 1.645 3.235
291 HG3 ARG 44 HG3 ARG 44 -5.414 0.775 2.648
292 HD2 ARG 44 HD2 ARG 44 -5.576 0.458 5.388
293 HD3 ARG 44 HD3 ARG 44 -4.897 2.097 5.130
294 HE ARG 44 HE ARG 44 -6.977 1.586 3.285
295 HH11 ARG 44 HH11 ARG 44 -6.603 2.316 6.781
296 HH12 ARG 44 HH12 ARG 44 -8.234 2.870 6.966
297 HH21 ARG 44 HH21 ARG 44 -9.338 2.426 3.685
298 HH22 ARG 44 HH22 ARG 44 -9.587 3.119 5.238
299 H PHE 45 H PHE 45 -1.905 1.906 2.165
300 HA PHE 45 HA PHE 45 -0.452 2.441 4.673
301 HB2 PHE 45 HB2 PHE 45 0.557 2.770 1.824
302 HB3 PHE 45 HB3 PHE 45 1.183 3.764 3.137
303 HD1 PHE 45 HD1 PHE 45 1.869 2.363 5.359
304 HD2 PHE 45 HD2 PHE 45 1.785 0.850 1.307
305 HE1 PHE 45 HE1 PHE 45 3.528 0.657 5.961
306 HE2 PHE 45 HE2 PHE 45 3.521 -0.781 1.894
307 HZ PHE 45 HZ PHE 45 4.417 -0.895 4.221
308 H ARG 46 H ARG 46 -0.100 4.784 4.865
309 HA ARG 46 HA ARG 46 -2.429 6.336 3.817
310 HB2 ARG 46 HB2 ARG 46 -1.947 7.778 5.938
311 HB3 ARG 46 HB3 ARG 46 -2.900 6.317 6.005
312 HG2 ARG 46 HG2 ARG 46 -1.402 6.525 7.913
313 HG3 ARG 46 HG3 ARG 46 -1.128 5.046 7.006
314 HD2 ARG 46 HD2 ARG 46 0.970 5.956 7.756
315 HD3 ARG 46 HD3 ARG 46 0.916 6.065 6.007
316 HE ARG 46 HE ARG 46 0.733 8.406 6.103
317 HH11 ARG 46 HH11 ARG 46 1.048 7.015 9.447
318 HH12 ARG 46 HH12 ARG 46 1.395 8.567 10.096
319 HH21 ARG 46 HH21 ARG 46 0.994 10.458 7.164
320 HH22 ARG 46 HH22 ARG 46 1.466 10.458 8.827
321 H THR 47 H THR 47 1.052 6.202 3.712
322 HA THR 47 HA THR 47 1.044 8.471 2.008
323 HB THR 47 HB THR 47 1.110 9.551 4.283
324 HG1 THR 47 HG1 THR 47 1.883 10.654 2.571
325 HG21 THR 47 HG21 THR 47 3.081 9.395 5.648
326 HG22 THR 47 HG22 THR 47 3.935 8.473 4.409
327 HG23 THR 47 HG23 THR 47 2.639 7.704 5.277
328 H ILE 48 H ILE 48 3.031 8.703 0.901
329 HA ILE 48 HA ILE 48 4.356 6.221 0.396
330 HB ILE 48 HB ILE 48 4.100 7.765 -1.377
331 HG12 ILE 48 HG12 ILE 48 7.051 7.726 -0.603
332 HG13 ILE 48 HG13 ILE 48 6.158 6.392 -1.292
333 HG21 ILE 48 HG21 ILE 48 5.708 9.861 0.144
334 HG22 ILE 48 HG22 ILE 48 5.034 10.022 -1.486
335 HG23 ILE 48 HG23 ILE 48 3.948 9.921 -0.130
336 HD11 ILE 48 HD11 ILE 48 7.310 7.478 -3.111
337 HD12 ILE 48 HD12 ILE 48 5.569 7.759 -3.291
338 HD13 ILE 48 HD13 ILE 48 6.632 9.043 -2.677
339 H ASP 49 H ASP 49 4.974 8.989 2.555
340 HA ASP 49 HA ASP 49 7.733 8.551 3.001
341 HB2 ASP 49 HB2 ASP 49 6.564 10.592 3.624
342 HB3 ASP 49 HB3 ASP 49 5.668 9.727 4.872
343 H GLU 50 H GLU 50 4.869 7.034 4.503
344 HA GLU 50 HA GLU 50 6.474 5.607 6.462
345 HB2 GLU 50 HB2 GLU 50 3.530 5.654 5.678
346 HB3 GLU 50 HB3 GLU 50 4.172 4.484 6.817
347 HG2 GLU 50 HG2 GLU 50 4.391 7.511 7.157
348 HG3 GLU 50 HG3 GLU 50 3.218 6.476 7.963
349 H CYS 51 H CYS 51 4.818 5.006 3.376
350 HA CYS 51 HA CYS 51 5.156 2.196 3.339
351 HB2 CYS 51 HB2 CYS 51 3.565 3.374 1.906
352 HB3 CYS 51 HB3 CYS 51 4.891 4.283 1.155
353 H ASN 52 H ASN 52 7.174 4.877 2.076
354 HA ASN 52 HA ASN 52 9.052 3.073 0.931
355 HB2 ASN 52 HB2 ASN 52 10.207 4.842 0.086
356 HB3 ASN 52 HB3 ASN 52 8.581 5.475 0.183
357 HD21 ASN 52 HD21 ASN 52 8.389 7.436 1.095
358 HD22 ASN 52 HD22 ASN 52 9.662 8.279 1.964
359 H ARG 53 H ARG 53 9.223 5.165 3.839
360 HA ARG 53 HA ARG 53 11.663 4.137 4.670
361 HB2 ARG 53 HB2 ARG 53 11.336 5.083 6.769
362 HB3 ARG 53 HB3 ARG 53 10.281 6.043 5.704
363 HG2 ARG 53 HG2 ARG 53 8.395 4.504 6.432
364 HG3 ARG 53 HG3 ARG 53 9.475 3.859 7.675
365 HD2 ARG 53 HD2 ARG 53 8.519 6.729 7.356
366 HD3 ARG 53 HD3 ARG 53 8.027 5.546 8.588
367 HE ARG 53 HE ARG 53 10.845 5.866 8.689
368 HH11 ARG 53 HH11 ARG 53 7.780 7.447 9.594
369 HH12 ARG 53 HH12 ARG 53 8.551 8.504 10.750
370 HH21 ARG 53 HH21 ARG 53 11.831 7.262 10.136
371 HH22 ARG 53 HH22 ARG 53 10.887 8.257 11.216
372 H THR 54 H THR 54 8.591 2.408 4.977
373 HA THR 54 HA THR 54 9.878 0.415 6.723
374 HB THR 54 HB THR 54 7.637 1.434 7.158
375 HG1 THR 54 HG1 THR 54 8.191 -1.298 7.110
376 HG21 THR 54 HG21 THR 54 5.723 0.782 6.075
377 HG22 THR 54 HG22 THR 54 6.490 -0.647 5.308
378 HG23 THR 54 HG23 THR 54 6.806 0.995 4.711
379 H CYS 55 H CYS 55 9.407 0.760 3.271
380 HA CYS 55 HA CYS 55 10.119 -2.117 3.018
381 HB2 CYS 55 HB2 CYS 55 7.976 -0.799 1.321
382 HB3 CYS 55 HB3 CYS 55 8.540 -2.473 1.264
383 H VAL 56 H VAL 56 10.331 1.110 1.615
384 HA VAL 56 HA VAL 56 11.587 0.182 -0.847
385 HB VAL 56 HB VAL 56 11.269 2.894 0.401
386 HG11 VAL 56 HG11 VAL 56 12.636 2.332 -2.237
387 HG12 VAL 56 HG12 VAL 56 12.128 3.916 -1.641
388 HG13 VAL 56 HG13 VAL 56 13.399 3.024 -0.785
389 HG21 VAL 56 HG21 VAL 56 10.243 1.582 -2.165
390 HG22 VAL 56 HG22 VAL 56 9.282 1.765 -0.691
391 HG23 VAL 56 HG23 VAL 56 9.807 3.191 -1.593
392 H GLY 57 H GLY 57 13.320 -0.918 -0.745
393 HA2 GLY 57 HA2 GLY 57 15.225 -0.980 1.329
394 HA3 GLY 57 HA3 GLY 57 15.388 -1.721 -0.280
Start of MODEL 13
1 H1 ARG 1 H ARG 1 12.959 -6.044 4.020
2 HA ARG 1 HA ARG 1 11.195 -4.452 3.502
3 HB2 ARG 1 HB2 ARG 1 9.936 -4.688 1.422
4 HB3 ARG 1 HB3 ARG 1 11.624 -4.189 1.266
5 HG2 ARG 1 HG2 ARG 1 11.868 -6.916 0.788
6 HG3 ARG 1 HG3 ARG 1 10.252 -6.591 0.211
7 HD2 ARG 1 HD2 ARG 1 11.392 -6.072 -1.669
8 HD3 ARG 1 HD3 ARG 1 11.402 -4.491 -0.948
9 HE ARG 1 HE ARG 1 13.700 -5.059 -0.012
10 HH11 ARG 1 HH11 ARG 1 12.507 -6.434 -3.060
11 HH12 ARG 1 HH12 ARG 1 14.036 -6.228 -3.874
12 HH21 ARG 1 HH21 ARG 1 15.796 -5.355 -0.982
13 HH22 ARG 1 HH22 ARG 1 15.883 -5.663 -2.709
14 HA PRO 2 HA PRO 2 8.968 -7.783 5.519
15 HB2 PRO 2 HB2 PRO 2 6.750 -6.399 6.312
16 HB3 PRO 2 HB3 PRO 2 8.341 -6.207 7.105
17 HG2 PRO 2 HG2 PRO 2 7.091 -4.549 4.944
18 HG3 PRO 2 HG3 PRO 2 7.864 -3.924 6.425
19 HD2 PRO 2 HD2 PRO 2 9.261 -3.949 4.127
20 HD3 PRO 2 HD3 PRO 2 10.040 -4.465 5.649
21 H ARG 3 H ARG 3 7.488 -9.308 4.914
22 HA ARG 3 HA ARG 3 6.331 -9.091 2.355
23 HB2 ARG 3 HB2 ARG 3 5.694 -11.271 2.475
24 HB3 ARG 3 HB3 ARG 3 7.144 -11.181 3.445
25 HG2 ARG 3 HG2 ARG 3 4.266 -11.486 4.363
26 HG3 ARG 3 HG3 ARG 3 5.590 -12.634 4.531
27 HD2 ARG 3 HD2 ARG 3 5.402 -9.972 5.993
28 HD3 ARG 3 HD3 ARG 3 5.023 -11.558 6.675
29 HE ARG 3 HE ARG 3 7.538 -11.944 5.693
30 HH11 ARG 3 HH11 ARG 3 6.189 -9.743 8.153
31 HH12 ARG 3 HH12 ARG 3 7.588 -9.843 9.139
32 HH21 ARG 3 HH21 ARG 3 9.324 -11.977 6.848
33 HH22 ARG 3 HH22 ARG 3 9.499 -11.181 8.374
34 H PHE 4 H PHE 4 5.095 -7.573 5.099
35 HA PHE 4 HA PHE 4 2.265 -8.148 4.532
36 HB2 PHE 4 HB2 PHE 4 1.697 -6.704 6.233
37 HB3 PHE 4 HB3 PHE 4 3.100 -7.548 6.847
38 HD1 PHE 4 HD2 PHE 4 1.925 -4.344 5.270
39 HD2 PHE 4 HD1 PHE 4 4.925 -6.262 7.703
40 HE1 PHE 4 HE2 PHE 4 2.919 -2.137 5.766
41 HE2 PHE 4 HE1 PHE 4 5.945 -4.040 8.180
42 HZ PHE 4 HZ PHE 4 4.965 -1.974 7.194
43 H CYS 5 H CYS 5 4.743 -5.853 3.395
44 HA CYS 5 HA CYS 5 2.604 -4.058 2.430
45 HB2 CYS 5 HB2 CYS 5 4.490 -2.772 1.469
46 HB3 CYS 5 HB3 CYS 5 4.404 -2.925 3.237
47 H GLU 6 H GLU 6 4.071 -6.937 1.230
48 HA GLU 6 HA GLU 6 3.543 -6.106 -1.585
49 HB2 GLU 6 HB2 GLU 6 4.802 -8.140 -2.150
50 HB3 GLU 6 HB3 GLU 6 5.695 -7.077 -1.049
51 HG2 GLU 6 HG2 GLU 6 5.063 -8.451 0.856
52 HG3 GLU 6 HG3 GLU 6 4.133 -9.538 -0.164
53 H LEU 7 H LEU 7 1.314 -6.553 0.327
54 HA LEU 7 HA LEU 7 0.127 -9.119 -0.603
55 HB2 LEU 7 HB2 LEU 7 -0.954 -7.039 1.325
56 HB3 LEU 7 HB3 LEU 7 -1.693 -8.609 0.960
57 HG LEU 7 HG LEU 7 0.938 -8.107 2.379
58 HD11 LEU 7 HD11 LEU 7 -0.168 -9.104 4.297
59 HD12 LEU 7 HD12 LEU 7 -1.612 -9.478 3.330
60 HD13 LEU 7 HD13 LEU 7 -1.182 -7.790 3.680
61 HD21 LEU 7 HD21 LEU 7 1.103 -10.494 2.756
62 HD22 LEU 7 HD22 LEU 7 1.285 -10.093 1.063
63 HD23 LEU 7 HD23 LEU 7 -0.262 -10.775 1.658
64 H ALA 8 H ALA 8 -2.235 -8.991 -1.229
65 HA ALA 8 HA ALA 8 -2.502 -6.951 -3.376
66 HB1 ALA 8 HB1 ALA 8 -4.157 -8.439 -4.315
67 HB2 ALA 8 HB2 ALA 8 -2.577 -9.236 -4.157
68 HB3 ALA 8 HB3 ALA 8 -3.891 -9.599 -2.994
69 HA PRO 9 HA PRO 9 -5.420 -5.482 -0.168
70 HB2 PRO 9 HB2 PRO 9 -5.817 -2.951 -1.095
71 HB3 PRO 9 HB3 PRO 9 -4.312 -3.437 -0.263
72 HG2 PRO 9 HG2 PRO 9 -4.822 -3.279 -3.248
73 HG3 PRO 9 HG3 PRO 9 -3.465 -2.598 -2.340
74 HD2 PRO 9 HD2 PRO 9 -3.292 -4.995 -3.604
75 HD3 PRO 9 HD3 PRO 9 -2.468 -4.711 -2.038
76 H SER 10 H SER 10 -7.266 -6.743 -0.595
77 HA SER 10 HA SER 10 -8.701 -6.507 -3.049
78 HB2 SER 10 HB2 SER 10 -8.642 -8.582 -1.518
79 HB3 SER 10 HB3 SER 10 -9.886 -7.752 -0.579
80 HG SER 10 HG SER 10 -9.964 -8.786 -3.200
81 H ALA 11 H ALA 11 -8.931 -4.238 -3.114
82 HA ALA 11 HA ALA 11 -10.509 -2.731 -1.219
83 HB1 ALA 11 HB1 ALA 11 -8.785 -1.698 -2.674
84 HB2 ALA 11 HB2 ALA 11 -9.732 -2.142 -4.115
85 HB3 ALA 11 HB3 ALA 11 -10.380 -0.964 -2.958
86 H GLY 12 H GLY 12 -11.445 -5.136 -3.334
87 HA2 GLY 12 HA2 GLY 12 -13.957 -3.941 -4.277
88 HA3 GLY 12 HA3 GLY 12 -13.329 -5.557 -4.611
89 H SER 13 H SER 13 -13.013 -5.302 -1.350
90 HA SER 13 HA SER 13 -14.947 -7.157 -0.637
91 HB2 SER 13 HB2 SER 13 -12.931 -6.480 0.654
92 HB3 SER 13 HB3 SER 13 -13.686 -4.927 1.010
93 HG SER 13 HG SER 13 -14.680 -7.478 1.829
94 H CYS 14 H CYS 14 -15.178 -3.557 -0.419
95 HA CYS 14 HA CYS 14 -18.127 -3.710 -0.383
96 HB2 CYS 14 HB2 CYS 14 -16.557 -1.936 1.483
97 HB3 CYS 14 HB3 CYS 14 -18.258 -2.335 1.569
98 H PHE 15 H PHE 15 -19.037 -1.568 -0.925
99 HA PHE 15 HA PHE 15 -17.232 -0.074 -2.774
100 HB2 PHE 15 HB2 PHE 15 -19.332 -0.881 -3.676
101 HB3 PHE 15 HB3 PHE 15 -20.240 -0.051 -2.454
102 HD1 PHE 15 HD1 PHE 15 -19.478 2.767 -2.385
103 HD2 PHE 15 HD2 PHE 15 -19.560 0.075 -5.777
104 HE1 PHE 15 HE1 PHE 15 -19.466 4.650 -3.878
105 HE2 PHE 15 HE2 PHE 15 -19.816 2.003 -7.261
106 HZ PHE 15 HZ PHE 15 -19.705 4.310 -6.349
107 H ALA 16 H ALA 16 -16.122 1.440 -1.762
108 HA ALA 16 HA ALA 16 -17.404 3.549 -0.244
109 HB1 ALA 16 HB1 ALA 16 -15.182 1.831 0.929
110 HB2 ALA 16 HB2 ALA 16 -15.764 3.356 1.632
111 HB3 ALA 16 HB3 ALA 16 -16.838 1.947 1.554
112 H PHE 17 H PHE 17 -15.531 5.260 0.097
113 HA PHE 17 HA PHE 17 -13.460 4.988 -2.039
114 HB2 PHE 17 HB2 PHE 17 -15.554 6.331 -2.640
115 HB3 PHE 17 HB3 PHE 17 -14.924 7.602 -1.631
116 HD1 PHE 17 HD2 PHE 17 -11.950 7.370 -2.325
117 HD2 PHE 17 HD1 PHE 17 -15.465 7.256 -4.806
118 HE1 PHE 17 HE2 PHE 17 -10.617 8.198 -4.231
119 HE2 PHE 17 HE1 PHE 17 -14.131 8.128 -6.701
120 HZ PHE 17 HZ PHE 17 -11.703 8.589 -6.415
121 H VAL 18 H VAL 18 -11.662 4.701 -0.697
122 HA VAL 18 HA VAL 18 -10.899 7.061 0.908
123 HB VAL 18 HB VAL 18 -9.929 5.421 2.599
124 HG11 VAL 18 HG11 VAL 18 -11.961 5.544 3.950
125 HG12 VAL 18 HG12 VAL 18 -11.735 7.035 3.019
126 HG13 VAL 18 HG13 VAL 18 -12.939 5.832 2.497
127 HG21 VAL 18 HG21 VAL 18 -10.428 3.276 1.523
128 HG22 VAL 18 HG22 VAL 18 -11.310 3.414 3.061
129 HG23 VAL 18 HG23 VAL 18 -12.166 3.660 1.523
130 HA PRO 19 HA PRO 19 -7.804 5.820 -2.175
131 HB2 PRO 19 HB2 PRO 19 -6.453 8.201 -2.374
132 HB3 PRO 19 HB3 PRO 19 -7.952 7.839 -3.265
133 HG2 PRO 19 HG2 PRO 19 -7.656 9.349 -0.665
134 HG3 PRO 19 HG3 PRO 19 -8.617 9.800 -2.095
135 HD2 PRO 19 HD2 PRO 19 -9.726 8.601 0.071
136 HD3 PRO 19 HD3 PRO 19 -10.269 8.204 -1.597
137 H SER 20 H SER 20 -6.170 4.634 -1.429
138 HA SER 20 HA SER 20 -4.712 5.602 0.990
139 HB2 SER 20 HB2 SER 20 -5.429 2.735 0.379
140 HB3 SER 20 HB3 SER 20 -4.573 3.360 1.794
141 HG SER 20 HG SER 20 -7.200 4.173 1.041
142 H TYR 21 H TYR 21 -2.479 3.894 0.970
143 HA TYR 21 HA TYR 21 -1.345 4.366 -1.758
144 HB2 TYR 21 HB2 TYR 21 -0.113 4.675 0.951
145 HB3 TYR 21 HB3 TYR 21 0.799 4.211 -0.480
146 HD1 TYR 21 HD1 TYR 21 -1.530 6.928 0.627
147 HD2 TYR 21 HD2 TYR 21 1.993 5.838 -1.637
148 HE1 TYR 21 HE1 TYR 21 -1.123 9.305 0.088
149 HE2 TYR 21 HE2 TYR 21 2.317 8.177 -2.275
150 HH TYR 21 HH TYR 21 1.537 10.334 -2.083
151 H TYR 22 H TYR 22 -0.183 2.902 -2.681
152 HA TYR 22 HA TYR 22 -0.263 0.092 -1.758
153 HB2 TYR 22 HB2 TYR 22 -1.367 1.107 -3.971
154 HB3 TYR 22 HB3 TYR 22 0.270 1.120 -4.573
155 HD1 TYR 22 HD1 TYR 22 1.516 -1.233 -4.720
156 HD2 TYR 22 HD2 TYR 22 -2.734 -0.744 -4.176
157 HE1 TYR 22 HE1 TYR 22 1.212 -3.594 -5.226
158 HE2 TYR 22 HE2 TYR 22 -3.088 -3.035 -4.957
159 HH TYR 22 HH TYR 22 -2.150 -4.992 -5.581
160 H TYR 23 H TYR 23 1.631 -1.129 -2.489
161 HA TYR 23 HA TYR 23 4.233 0.386 -2.510
162 HB2 TYR 23 HB2 TYR 23 3.927 -0.631 -0.338
163 HB3 TYR 23 HB3 TYR 23 3.438 -2.147 -1.069
164 HD1 TYR 23 HD1 TYR 23 6.418 0.186 -1.413
165 HD2 TYR 23 HD2 TYR 23 5.014 -3.862 -1.026
166 HE1 TYR 23 HE1 TYR 23 8.740 -0.606 -1.410
167 HE2 TYR 23 HE2 TYR 23 7.345 -4.652 -0.841
168 HH TYR 23 HH TYR 23 10.111 -2.617 -0.701
169 H ASN 24 H ASN 24 5.433 -0.021 -4.351
170 HA ASN 24 HA ASN 24 4.840 -2.503 -5.890
171 HB2 ASN 24 HB2 ASN 24 5.865 0.131 -6.964
172 HB3 ASN 24 HB3 ASN 24 5.599 -1.342 -7.882
173 HD21 ASN 24 HD21 ASN 24 4.393 1.540 -7.933
174 HD22 ASN 24 HD22 ASN 24 2.681 1.290 -7.934
175 H GLN 25 H GLN 25 6.390 -3.666 -4.614
176 HA GLN 25 HA GLN 25 9.022 -2.807 -4.120
177 HB2 GLN 25 HB2 GLN 25 9.562 -4.939 -3.423
178 HB3 GLN 25 HB3 GLN 25 7.870 -4.762 -3.018
179 HG2 GLN 25 HG2 GLN 25 8.962 -6.399 -5.292
180 HG3 GLN 25 HG3 GLN 25 8.430 -6.999 -3.744
181 HE21 GLN 25 HE21 GLN 25 5.870 -5.190 -3.673
182 HE22 GLN 25 HE22 GLN 25 4.888 -5.895 -4.936
183 H TYR 26 H TYR 26 7.579 -4.313 -6.983
184 HA TYR 26 HA TYR 26 9.840 -5.056 -8.405
185 HB2 TYR 26 HB2 TYR 26 7.427 -3.660 -9.580
186 HB3 TYR 26 HB3 TYR 26 8.489 -4.777 -10.406
187 HD1 TYR 26 HD2 TYR 26 8.527 -7.240 -9.471
188 HD2 TYR 26 HD1 TYR 26 5.391 -4.397 -8.678
189 HE1 TYR 26 HE2 TYR 26 6.958 -9.104 -9.063
190 HE2 TYR 26 HE1 TYR 26 3.847 -6.229 -8.152
191 HH TYR 26 HH TYR 26 4.787 -9.694 -8.531
192 H SER 27 H SER 27 8.381 -1.867 -7.981
193 HA SER 27 HA SER 27 10.442 -0.572 -9.670
194 HB2 SER 27 HB2 SER 27 8.047 -0.238 -10.226
195 HB3 SER 27 HB3 SER 27 7.786 0.464 -8.637
196 HG SER 27 HG SER 27 9.632 1.926 -9.407
197 H ASN 28 H ASN 28 10.292 -1.478 -6.546
198 HA ASN 28 HA ASN 28 10.915 -0.744 -4.548
199 HB2 ASN 28 HB2 ASN 28 13.074 -1.118 -5.650
200 HB3 ASN 28 HB3 ASN 28 13.009 0.441 -6.427
201 HD21 ASN 28 HD21 ASN 28 13.210 -0.924 -3.030
202 HD22 ASN 28 HD22 ASN 28 14.416 0.297 -2.592
203 H THR 29 H THR 29 8.733 0.600 -5.050
204 HA THR 29 HA THR 29 9.163 3.138 -3.763
205 HB THR 29 HB THR 29 9.586 3.689 -6.184
206 HG1 THR 29 HG1 THR 29 8.835 5.270 -4.823
207 HG21 THR 29 HG21 THR 29 7.974 2.112 -7.220
208 HG22 THR 29 HG22 THR 29 7.731 3.789 -7.738
209 HG23 THR 29 HG23 THR 29 6.625 3.071 -6.570
210 H CYS 30 H CYS 30 6.752 4.246 -3.999
211 HA CYS 30 HA CYS 30 4.631 2.260 -3.498
212 HB2 CYS 30 HB2 CYS 30 5.055 4.656 -1.701
213 HB3 CYS 30 HB3 CYS 30 4.013 3.279 -1.444
214 H HIS 31 H HIS 31 2.479 3.342 -3.825
215 HA HIS 31 HA HIS 31 2.541 6.076 -4.882
216 HB2 HIS 31 HB2 HIS 31 3.187 4.360 -6.750
217 HB3 HIS 31 HB3 HIS 31 1.530 3.784 -6.589
218 HD1 HIS 31 HD1 HIS 31 0.117 4.917 -8.539
219 HD2 HIS 31 HD2 HIS 31 3.189 7.273 -6.872
220 HE1 HIS 31 HE1 HIS 31 0.073 7.117 -9.816
221 H SER 32 H SER 32 0.273 6.926 -5.127
222 HA SER 32 HA SER 32 -1.450 5.739 -3.179
223 HB2 SER 32 HB2 SER 32 -3.004 7.518 -3.979
224 HB3 SER 32 HB3 SER 32 -1.446 8.036 -3.297
225 HG SER 32 HG SER 32 -1.867 9.177 -5.157
226 H PHE 33 H PHE 33 -3.485 4.747 -3.474
227 HA PHE 33 HA PHE 33 -4.370 3.960 -6.142
228 HB2 PHE 33 HB2 PHE 33 -4.323 1.686 -5.872
229 HB3 PHE 33 HB3 PHE 33 -2.766 2.169 -5.236
230 HD1 PHE 33 HD2 PHE 33 -2.777 2.554 -2.577
231 HD2 PHE 33 HD1 PHE 33 -5.538 0.063 -4.705
232 HE1 PHE 33 HE2 PHE 33 -3.398 1.374 -0.440
233 HE2 PHE 33 HE1 PHE 33 -6.084 -1.134 -2.650
234 HZ PHE 33 HZ PHE 33 -4.965 -0.493 -0.478
235 H THR 34 H THR 34 -6.536 2.457 -5.526
236 HA THR 34 HA THR 34 -8.123 4.233 -3.701
237 HB THR 34 HB THR 34 -10.083 3.465 -5.024
238 HG1 THR 34 HG1 THR 34 -9.345 2.814 -7.264
239 HG21 THR 34 HG21 THR 34 -8.979 5.673 -5.427
240 HG22 THR 34 HG22 THR 34 -9.759 5.011 -6.863
241 HG23 THR 34 HG23 THR 34 -8.002 4.919 -6.694
242 H TYR 35 H TYR 35 -8.943 3.388 -1.864
243 HA TYR 35 HA TYR 35 -9.024 0.449 -1.680
244 HB2 TYR 35 HB2 TYR 35 -7.094 1.551 -0.489
245 HB3 TYR 35 HB3 TYR 35 -8.277 2.287 0.564
246 HD1 TYR 35 HD1 TYR 35 -7.091 -1.151 -0.586
247 HD2 TYR 35 HD2 TYR 35 -8.816 1.227 2.588
248 HE1 TYR 35 HE1 TYR 35 -6.459 -2.856 1.054
249 HE2 TYR 35 HE2 TYR 35 -8.383 -0.635 4.173
250 HH TYR 35 HH TYR 35 -6.034 -3.172 3.424
251 H SER 36 H SER 36 -10.681 -0.208 0.140
252 HA SER 36 HA SER 36 -12.937 1.726 0.213
253 HB2 SER 36 HB2 SER 36 -14.286 -0.439 0.519
254 HB3 SER 36 HB3 SER 36 -13.643 -0.036 -1.071
255 HG SER 36 HG SER 36 -12.839 -1.875 -1.030
256 H GLY 37 H GLY 37 -10.610 0.320 2.274
257 HA2 GLY 37 HA2 GLY 37 -10.318 0.623 4.551
258 HA3 GLY 37 HA3 GLY 37 -11.896 1.405 4.644
259 H CYS 38 H CYS 38 -13.628 -0.325 3.883
260 HA CYS 38 HA CYS 38 -14.285 -2.034 5.952
261 HB2 CYS 38 HB2 CYS 38 -15.738 -0.952 4.268
262 HB3 CYS 38 HB3 CYS 38 -15.062 -1.994 3.020
263 H GLY 39 H GLY 39 -11.966 -2.785 3.460
264 HA2 GLY 39 HA2 GLY 39 -11.778 -5.524 4.392
265 HA3 GLY 39 HA3 GLY 39 -12.272 -5.353 2.698
266 H GLY 40 H GLY 40 -10.329 -6.317 1.978
267 HA2 GLY 40 HA2 GLY 40 -8.393 -5.966 0.868
268 HA3 GLY 40 HA3 GLY 40 -8.164 -4.397 1.641
269 H ASN 41 H ASN 41 -5.916 -5.309 1.611
270 HA ASN 41 HA ASN 41 -5.339 -6.903 4.063
271 HB2 ASN 41 HB2 ASN 41 -4.114 -7.187 1.282
272 HB3 ASN 41 HB3 ASN 41 -3.317 -7.765 2.727
273 HD21 ASN 41 HD21 ASN 41 -4.445 -9.347 4.137
274 HD22 ASN 41 HD22 ASN 41 -5.591 -10.446 3.399
275 H ALA 42 H ALA 42 -2.984 -6.699 4.657
276 HA ALA 42 HA ALA 42 -2.412 -4.195 5.562
277 HB1 ALA 42 HB1 ALA 42 -1.604 -6.396 6.437
278 HB2 ALA 42 HB2 ALA 42 -0.369 -6.390 5.165
279 HB3 ALA 42 HB3 ALA 42 -0.380 -5.118 6.386
280 H ASN 43 H ASN 43 -1.753 -5.117 2.287
281 HA ASN 43 HA ASN 43 0.648 -3.632 1.819
282 HB2 ASN 43 HB2 ASN 43 -0.073 -5.135 0.183
283 HB3 ASN 43 HB3 ASN 43 -1.697 -4.469 0.094
284 HD21 ASN 43 HD21 ASN 43 -1.880 -2.203 -0.984
285 HD22 ASN 43 HD22 ASN 43 -0.791 -2.168 -2.381
286 H ARG 44 H ARG 44 -2.527 -2.518 2.683
287 HA ARG 44 HA ARG 44 -2.439 0.034 1.379
288 HB2 ARG 44 HB2 ARG 44 -4.481 -1.145 2.389
289 HB3 ARG 44 HB3 ARG 44 -3.802 -0.841 3.990
290 HG2 ARG 44 HG2 ARG 44 -3.774 1.708 3.016
291 HG3 ARG 44 HG3 ARG 44 -5.097 1.040 2.069
292 HD2 ARG 44 HD2 ARG 44 -6.299 0.461 4.132
293 HD3 ARG 44 HD3 ARG 44 -4.938 0.909 5.117
294 HE ARG 44 HE ARG 44 -6.553 2.759 3.444
295 HH11 ARG 44 HH11 ARG 44 -4.221 2.408 6.147
296 HH12 ARG 44 HH12 ARG 44 -4.266 4.087 6.548
297 HH21 ARG 44 HH21 ARG 44 -6.441 4.893 3.802
298 HH22 ARG 44 HH22 ARG 44 -5.400 5.594 4.981
299 H PHE 45 H PHE 45 -1.523 1.852 1.995
300 HA PHE 45 HA PHE 45 -0.286 2.288 4.656
301 HB2 PHE 45 HB2 PHE 45 0.812 2.738 1.843
302 HB3 PHE 45 HB3 PHE 45 1.367 3.713 3.190
303 HD1 PHE 45 HD1 PHE 45 2.439 2.637 5.204
304 HD2 PHE 45 HD2 PHE 45 1.699 0.544 1.498
305 HE1 PHE 45 HE1 PHE 45 4.071 0.927 5.851
306 HE2 PHE 45 HE2 PHE 45 3.399 -1.095 2.089
307 HZ PHE 45 HZ PHE 45 4.633 -0.939 4.276
308 H ARG 46 H ARG 46 0.111 4.689 4.844
309 HA ARG 46 HA ARG 46 -2.198 6.247 3.777
310 HB2 ARG 46 HB2 ARG 46 -1.703 7.682 5.898
311 HB3 ARG 46 HB3 ARG 46 -2.681 6.244 5.955
312 HG2 ARG 46 HG2 ARG 46 -1.203 6.421 7.870
313 HG3 ARG 46 HG3 ARG 46 -0.971 4.938 6.977
314 HD2 ARG 46 HD2 ARG 46 1.147 5.770 7.739
315 HD3 ARG 46 HD3 ARG 46 1.110 5.856 5.989
316 HE ARG 46 HE ARG 46 0.958 8.224 6.057
317 HH11 ARG 46 HH11 ARG 46 1.381 6.849 9.401
318 HH12 ARG 46 HH12 ARG 46 2.039 8.339 9.943
319 HH21 ARG 46 HH21 ARG 46 1.485 10.219 7.063
320 HH22 ARG 46 HH22 ARG 46 2.034 10.211 8.712
321 H THR 47 H THR 47 1.249 6.027 3.664
322 HA THR 47 HA THR 47 1.367 8.276 1.933
323 HB THR 47 HB THR 47 1.444 9.458 4.164
324 HG1 THR 47 HG1 THR 47 2.497 10.696 2.798
325 HG21 THR 47 HG21 THR 47 2.836 7.500 5.232
326 HG22 THR 47 HG22 THR 47 3.331 9.177 5.620
327 HG23 THR 47 HG23 THR 47 4.191 8.212 4.423
328 H ILE 48 H ILE 48 3.378 8.445 0.905
329 HA ILE 48 HA ILE 48 4.717 5.905 0.492
330 HB ILE 48 HB ILE 48 4.345 7.252 -1.388
331 HG12 ILE 48 HG12 ILE 48 7.291 7.493 -0.686
332 HG13 ILE 48 HG13 ILE 48 6.521 6.016 -1.200
333 HG21 ILE 48 HG21 ILE 48 4.107 9.512 -0.375
334 HG22 ILE 48 HG22 ILE 48 5.853 9.548 -0.049
335 HG23 ILE 48 HG23 ILE 48 5.235 9.551 -1.708
336 HD11 ILE 48 HD11 ILE 48 7.552 6.895 -3.133
337 HD12 ILE 48 HD12 ILE 48 5.831 7.246 -3.342
338 HD13 ILE 48 HD13 ILE 48 6.945 8.528 -2.831
339 H ASP 49 H ASP 49 5.210 8.752 2.512
340 HA ASP 49 HA ASP 49 8.005 8.472 2.946
341 HB2 ASP 49 HB2 ASP 49 5.943 9.535 4.886
342 HB3 ASP 49 HB3 ASP 49 7.678 9.834 4.916
343 H GLU 50 H GLU 50 5.194 6.874 4.447
344 HA GLU 50 HA GLU 50 6.724 5.569 6.572
345 HB2 GLU 50 HB2 GLU 50 3.883 5.634 5.533
346 HB3 GLU 50 HB3 GLU 50 4.351 4.243 6.450
347 HG2 GLU 50 HG2 GLU 50 4.790 7.070 7.487
348 HG3 GLU 50 HG3 GLU 50 3.303 6.174 7.726
349 H CYS 51 H CYS 51 5.122 4.748 3.507
350 HA CYS 51 HA CYS 51 5.684 1.997 3.608
351 HB2 CYS 51 HB2 CYS 51 3.988 2.864 2.252
352 HB3 CYS 51 HB3 CYS 51 5.127 3.935 1.394
353 H ASN 52 H ASN 52 7.489 4.659 1.969
354 HA ASN 52 HA ASN 52 9.361 2.823 0.931
355 HB2 ASN 52 HB2 ASN 52 10.368 4.543 -0.150
356 HB3 ASN 52 HB3 ASN 52 8.805 5.263 0.098
357 HD21 ASN 52 HD21 ASN 52 8.656 7.037 1.488
358 HD22 ASN 52 HD22 ASN 52 10.073 7.897 2.071
359 H ARG 53 H ARG 53 9.505 5.033 3.782
360 HA ARG 53 HA ARG 53 12.017 4.087 4.543
361 HB2 ARG 53 HB2 ARG 53 11.818 5.201 6.523
362 HB3 ARG 53 HB3 ARG 53 10.662 6.066 5.488
363 HG2 ARG 53 HG2 ARG 53 8.835 4.679 6.556
364 HG3 ARG 53 HG3 ARG 53 10.028 4.015 7.672
365 HD2 ARG 53 HD2 ARG 53 9.153 6.911 7.362
366 HD3 ARG 53 HD3 ARG 53 8.804 5.850 8.729
367 HE ARG 53 HE ARG 53 11.142 7.440 8.225
368 HH11 ARG 53 HH11 ARG 53 10.360 4.229 9.658
369 HH12 ARG 53 HH12 ARG 53 11.582 4.366 10.858
370 HH21 ARG 53 HH21 ARG 53 12.756 7.534 9.930
371 HH22 ARG 53 HH22 ARG 53 12.953 6.203 11.010
372 H THR 54 H THR 54 8.975 2.340 4.921
373 HA THR 54 HA THR 54 10.314 0.411 6.671
374 HB THR 54 HB THR 54 8.122 1.418 7.242
375 HG1 THR 54 HG1 THR 54 8.353 -1.389 7.093
376 HG21 THR 54 HG21 THR 54 7.063 0.941 4.926
377 HG22 THR 54 HG22 THR 54 6.125 0.613 6.378
378 HG23 THR 54 HG23 THR 54 6.892 -0.719 5.488
379 H CYS 55 H CYS 55 9.558 0.555 3.231
380 HA CYS 55 HA CYS 55 10.315 -2.306 3.044
381 HB2 CYS 55 HB2 CYS 55 8.065 -1.048 1.431
382 HB3 CYS 55 HB3 CYS 55 8.630 -2.726 1.436
383 H VAL 56 H VAL 56 10.832 0.871 1.842
384 HA VAL 56 HA VAL 56 11.853 -0.149 -0.787
385 HB VAL 56 HB VAL 56 11.422 2.622 0.295
386 HG11 VAL 56 HG11 VAL 56 12.148 3.635 -1.697
387 HG12 VAL 56 HG12 VAL 56 13.490 2.680 -1.053
388 HG13 VAL 56 HG13 VAL 56 12.544 2.084 -2.437
389 HG21 VAL 56 HG21 VAL 56 10.289 1.138 -2.129
390 HG22 VAL 56 HG22 VAL 56 9.420 1.376 -0.602
391 HG23 VAL 56 HG23 VAL 56 9.830 2.774 -1.614
392 H GLY 57 H GLY 57 13.631 -1.285 -0.353
393 HA2 GLY 57 HA2 GLY 57 15.513 -0.704 1.748
394 HA3 GLY 57 HA3 GLY 57 15.736 -1.803 0.357
Start of MODEL 14
1 H1 ARG 1 H ARG 1 12.799 -4.774 1.559
2 HA ARG 1 HA ARG 1 10.772 -4.110 2.904
3 HB2 ARG 1 HB2 ARG 1 9.258 -4.476 1.096
4 HB3 ARG 1 HB3 ARG 1 10.830 -4.000 0.522
5 HG2 ARG 1 HG2 ARG 1 10.581 -6.919 0.401
6 HG3 ARG 1 HG3 ARG 1 9.290 -6.094 -0.445
7 HD2 ARG 1 HD2 ARG 1 10.796 -6.233 -2.137
8 HD3 ARG 1 HD3 ARG 1 11.170 -4.622 -1.529
9 HE ARG 1 HE ARG 1 13.219 -5.327 -0.767
10 HH11 ARG 1 HH11 ARG 1 11.289 -8.190 -1.733
11 HH12 ARG 1 HH12 ARG 1 12.705 -9.172 -2.010
12 HH21 ARG 1 HH21 ARG 1 15.019 -6.627 -1.242
13 HH22 ARG 1 HH22 ARG 1 14.864 -8.320 -1.610
14 HA PRO 2 HA PRO 2 9.083 -7.575 5.269
15 HB2 PRO 2 HB2 PRO 2 6.986 -6.334 6.444
16 HB3 PRO 2 HB3 PRO 2 8.659 -5.972 6.921
17 HG2 PRO 2 HG2 PRO 2 6.856 -4.431 5.060
18 HG3 PRO 2 HG3 PRO 2 7.922 -3.775 6.342
19 HD2 PRO 2 HD2 PRO 2 8.601 -3.850 3.669
20 HD3 PRO 2 HD3 PRO 2 9.823 -3.985 4.984
21 H ARG 3 H ARG 3 7.710 -9.116 4.744
22 HA ARG 3 HA ARG 3 6.301 -9.031 2.352
23 HB2 ARG 3 HB2 ARG 3 5.909 -11.199 2.580
24 HB3 ARG 3 HB3 ARG 3 7.142 -11.053 3.816
25 HG2 ARG 3 HG2 ARG 3 4.135 -11.203 4.209
26 HG3 ARG 3 HG3 ARG 3 5.315 -12.460 4.482
27 HD2 ARG 3 HD2 ARG 3 5.166 -9.911 6.114
28 HD3 ARG 3 HD3 ARG 3 4.461 -11.454 6.579
29 HE ARG 3 HE ARG 3 7.179 -10.613 6.815
30 HH11 ARG 3 HH11 ARG 3 5.184 -13.573 6.362
31 HH12 ARG 3 HH12 ARG 3 6.350 -14.608 7.111
32 HH21 ARG 3 HH21 ARG 3 8.714 -12.084 7.800
33 HH22 ARG 3 HH22 ARG 3 8.265 -13.750 7.953
34 H PHE 4 H PHE 4 5.057 -7.704 5.307
35 HA PHE 4 HA PHE 4 2.285 -8.190 4.529
36 HB2 PHE 4 HB2 PHE 4 1.639 -6.862 6.330
37 HB3 PHE 4 HB3 PHE 4 3.045 -7.749 6.890
38 HD1 PHE 4 HD2 PHE 4 1.841 -4.460 5.601
39 HD2 PHE 4 HD1 PHE 4 4.990 -6.538 7.694
40 HE1 PHE 4 HE2 PHE 4 2.817 -2.302 6.268
41 HE2 PHE 4 HE1 PHE 4 6.037 -4.359 8.266
42 HZ PHE 4 HZ PHE 4 4.960 -2.234 7.566
43 H CYS 5 H CYS 5 4.751 -5.855 3.596
44 HA CYS 5 HA CYS 5 2.956 -3.813 2.688
45 HB2 CYS 5 HB2 CYS 5 5.312 -3.736 3.645
46 HB3 CYS 5 HB3 CYS 5 5.889 -4.290 2.080
47 H GLU 6 H GLU 6 3.993 -6.840 1.334
48 HA GLU 6 HA GLU 6 3.463 -5.890 -1.451
49 HB2 GLU 6 HB2 GLU 6 4.883 -7.566 -2.263
50 HB3 GLU 6 HB3 GLU 6 5.682 -6.770 -0.924
51 HG2 GLU 6 HG2 GLU 6 4.527 -8.836 0.415
52 HG3 GLU 6 HG3 GLU 6 4.633 -9.583 -1.158
53 H LEU 7 H LEU 7 1.369 -6.590 0.556
54 HA LEU 7 HA LEU 7 0.242 -9.104 -0.487
55 HB2 LEU 7 HB2 LEU 7 -0.927 -7.094 1.465
56 HB3 LEU 7 HB3 LEU 7 -1.583 -8.690 1.059
57 HG LEU 7 HG LEU 7 1.057 -8.140 2.456
58 HD11 LEU 7 HD11 LEU 7 -1.061 -7.760 3.745
59 HD12 LEU 7 HD12 LEU 7 -0.042 -9.038 4.421
60 HD13 LEU 7 HD13 LEU 7 -1.489 -9.456 3.478
61 HD21 LEU 7 HD21 LEU 7 -0.228 -10.831 1.911
62 HD22 LEU 7 HD22 LEU 7 1.243 -10.522 2.843
63 HD23 LEU 7 HD23 LEU 7 1.256 -10.200 1.125
64 H ALA 8 H ALA 8 -2.232 -8.877 -1.047
65 HA ALA 8 HA ALA 8 -2.350 -6.981 -3.339
66 HB1 ALA 8 HB1 ALA 8 -2.578 -9.312 -3.957
67 HB2 ALA 8 HB2 ALA 8 -3.894 -9.520 -2.767
68 HB3 ALA 8 HB3 ALA 8 -4.117 -8.466 -4.166
69 HA PRO 9 HA PRO 9 -5.208 -5.064 -0.461
70 HB2 PRO 9 HB2 PRO 9 -5.803 -2.759 -1.782
71 HB3 PRO 9 HB3 PRO 9 -4.267 -3.032 -0.931
72 HG2 PRO 9 HG2 PRO 9 -4.818 -3.287 -3.899
73 HG3 PRO 9 HG3 PRO 9 -3.412 -2.543 -3.085
74 HD2 PRO 9 HD2 PRO 9 -3.429 -5.117 -4.102
75 HD3 PRO 9 HD3 PRO 9 -2.405 -4.620 -2.726
76 H SER 10 H SER 10 -7.127 -6.319 -0.546
77 HA SER 10 HA SER 10 -8.772 -6.643 -2.886
78 HB2 SER 10 HB2 SER 10 -8.488 -8.274 -0.931
79 HB3 SER 10 HB3 SER 10 -9.558 -7.211 -0.016
80 HG SER 10 HG SER 10 -10.169 -8.582 -2.457
81 H ALA 11 H ALA 11 -8.900 -4.368 -3.414
82 HA ALA 11 HA ALA 11 -10.248 -2.419 -1.778
83 HB1 ALA 11 HB1 ALA 11 -9.670 -2.453 -4.774
84 HB2 ALA 11 HB2 ALA 11 -10.109 -1.029 -3.810
85 HB3 ALA 11 HB3 ALA 11 -8.566 -1.851 -3.514
86 H GLY 12 H GLY 12 -11.533 -5.061 -3.491
87 HA2 GLY 12 HA2 GLY 12 -14.061 -3.679 -4.213
88 HA3 GLY 12 HA3 GLY 12 -13.558 -5.292 -4.685
89 H SER 13 H SER 13 -13.011 -5.324 -1.348
90 HA SER 13 HA SER 13 -15.106 -7.065 -0.864
91 HB2 SER 13 HB2 SER 13 -13.760 -5.345 1.216
92 HB3 SER 13 HB3 SER 13 -14.512 -6.934 1.450
93 HG SER 13 HG SER 13 -12.415 -7.441 1.172
94 H CYS 14 H CYS 14 -15.080 -3.537 0.036
95 HA CYS 14 HA CYS 14 -18.041 -3.632 0.151
96 HB2 CYS 14 HB2 CYS 14 -16.302 -2.076 2.109
97 HB3 CYS 14 HB3 CYS 14 -18.051 -2.083 1.995
98 H PHE 15 H PHE 15 -18.962 -1.597 -0.461
99 HA PHE 15 HA PHE 15 -17.221 -0.180 -2.373
100 HB2 PHE 15 HB2 PHE 15 -19.524 -0.986 -2.929
101 HB3 PHE 15 HB3 PHE 15 -20.165 0.126 -1.736
102 HD1 PHE 15 HD1 PHE 15 -19.330 2.764 -2.118
103 HD2 PHE 15 HD2 PHE 15 -19.523 -0.328 -5.141
104 HE1 PHE 15 HE1 PHE 15 -19.319 4.463 -3.868
105 HE2 PHE 15 HE2 PHE 15 -19.703 1.413 -6.888
106 HZ PHE 15 HZ PHE 15 -19.575 3.810 -6.260
107 H ALA 16 H ALA 16 -15.962 1.291 -1.493
108 HA ALA 16 HA ALA 16 -16.997 3.530 0.039
109 HB1 ALA 16 HB1 ALA 16 -16.296 2.327 1.941
110 HB2 ALA 16 HB2 ALA 16 -15.009 1.481 1.068
111 HB3 ALA 16 HB3 ALA 16 -14.828 3.193 1.487
112 H PHE 17 H PHE 17 -15.300 5.236 -0.018
113 HA PHE 17 HA PHE 17 -13.291 4.832 -2.171
114 HB2 PHE 17 HB2 PHE 17 -15.515 5.909 -2.812
115 HB3 PHE 17 HB3 PHE 17 -15.038 7.297 -1.860
116 HD1 PHE 17 HD2 PHE 17 -12.077 5.983 -3.533
117 HD2 PHE 17 HD1 PHE 17 -15.744 8.173 -4.205
118 HE1 PHE 17 HE2 PHE 17 -11.156 6.878 -5.586
119 HE2 PHE 17 HE1 PHE 17 -14.797 9.086 -6.291
120 HZ PHE 17 HZ PHE 17 -12.489 8.476 -6.995
121 H VAL 18 H VAL 18 -11.455 4.767 -0.856
122 HA VAL 18 HA VAL 18 -10.806 7.299 0.522
123 HB VAL 18 HB VAL 18 -9.715 5.881 2.347
124 HG11 VAL 18 HG11 VAL 18 -11.720 5.944 3.715
125 HG12 VAL 18 HG12 VAL 18 -11.677 7.371 2.677
126 HG13 VAL 18 HG13 VAL 18 -12.755 6.019 2.280
127 HG21 VAL 18 HG21 VAL 18 -11.829 3.868 1.451
128 HG22 VAL 18 HG22 VAL 18 -10.074 3.619 1.377
129 HG23 VAL 18 HG23 VAL 18 -10.874 3.786 2.949
130 HA PRO 19 HA PRO 19 -7.433 6.218 -2.274
131 HB2 PRO 19 HB2 PRO 19 -5.975 8.569 -2.093
132 HB3 PRO 19 HB3 PRO 19 -7.347 8.306 -3.193
133 HG2 PRO 19 HG2 PRO 19 -7.288 9.744 -0.556
134 HG3 PRO 19 HG3 PRO 19 -8.241 10.120 -2.017
135 HD2 PRO 19 HD2 PRO 19 -9.251 8.826 0.235
136 HD3 PRO 19 HD3 PRO 19 -9.943 8.636 -1.397
137 H SER 20 H SER 20 -5.867 4.876 -1.520
138 HA SER 20 HA SER 20 -4.356 5.654 0.925
139 HB2 SER 20 HB2 SER 20 -5.278 2.944 0.120
140 HB3 SER 20 HB3 SER 20 -4.314 3.328 1.573
141 HG SER 20 HG SER 20 -6.820 4.528 1.036
142 H TYR 21 H TYR 21 -2.271 3.752 0.800
143 HA TYR 21 HA TYR 21 -1.030 4.390 -1.852
144 HB2 TYR 21 HB2 TYR 21 0.044 4.538 0.900
145 HB3 TYR 21 HB3 TYR 21 1.118 3.955 -0.361
146 HD1 TYR 21 HD1 TYR 21 -0.979 6.806 0.732
147 HD2 TYR 21 HD2 TYR 21 2.060 5.513 -2.083
148 HE1 TYR 21 HE1 TYR 21 -0.604 9.140 0.055
149 HE2 TYR 21 HE2 TYR 21 2.355 7.812 -2.812
150 HH TYR 21 HH TYR 21 1.832 10.047 -2.431
151 H TYR 22 H TYR 22 -0.062 2.928 -2.957
152 HA TYR 22 HA TYR 22 -0.254 0.069 -2.194
153 HB2 TYR 22 HB2 TYR 22 -1.566 1.028 -4.242
154 HB3 TYR 22 HB3 TYR 22 -0.023 1.296 -4.984
155 HD1 TYR 22 HD1 TYR 22 1.615 -0.925 -4.934
156 HD2 TYR 22 HD2 TYR 22 -2.693 -0.865 -4.924
157 HE1 TYR 22 HE1 TYR 22 1.646 -3.231 -5.688
158 HE2 TYR 22 HE2 TYR 22 -2.696 -3.197 -5.835
159 HH TYR 22 HH TYR 22 0.248 -4.844 -6.878
160 H TYR 23 H TYR 23 1.660 -0.905 -1.987
161 HA TYR 23 HA TYR 23 4.174 0.542 -2.672
162 HB2 TYR 23 HB2 TYR 23 4.038 -0.394 -0.456
163 HB3 TYR 23 HB3 TYR 23 3.585 -1.963 -1.124
164 HD1 TYR 23 HD1 TYR 23 6.413 0.542 -1.316
165 HD2 TYR 23 HD2 TYR 23 5.201 -3.601 -1.274
166 HE1 TYR 23 HE1 TYR 23 8.765 -0.162 -1.262
167 HE2 TYR 23 HE2 TYR 23 7.559 -4.288 -1.082
168 HH TYR 23 HH TYR 23 9.798 -3.507 -0.978
169 H ASN 24 H ASN 24 5.460 0.017 -4.392
170 HA ASN 24 HA ASN 24 4.943 -2.584 -5.801
171 HB2 ASN 24 HB2 ASN 24 5.769 0.051 -7.068
172 HB3 ASN 24 HB3 ASN 24 5.801 -1.511 -7.856
173 HD21 ASN 24 HD21 ASN 24 4.038 -1.949 -9.121
174 HD22 ASN 24 HD22 ASN 24 2.431 -1.348 -8.851
175 H GLN 25 H GLN 25 6.491 -3.790 -4.858
176 HA GLN 25 HA GLN 25 9.080 -2.854 -4.136
177 HB2 GLN 25 HB2 GLN 25 9.717 -5.051 -3.683
178 HB3 GLN 25 HB3 GLN 25 8.076 -4.884 -3.115
179 HG2 GLN 25 HG2 GLN 25 8.922 -6.332 -5.656
180 HG3 GLN 25 HG3 GLN 25 8.631 -7.080 -4.106
181 HE21 GLN 25 HE21 GLN 25 6.088 -5.065 -3.775
182 HE22 GLN 25 HE22 GLN 25 4.954 -5.814 -4.831
183 H TYR 26 H TYR 26 7.824 -4.310 -7.151
184 HA TYR 26 HA TYR 26 10.236 -4.852 -8.445
185 HB2 TYR 26 HB2 TYR 26 7.831 -3.589 -9.784
186 HB3 TYR 26 HB3 TYR 26 8.989 -4.693 -10.496
187 HD1 TYR 26 HD2 TYR 26 9.041 -7.132 -9.199
188 HD2 TYR 26 HD1 TYR 26 5.710 -4.385 -9.314
189 HE1 TYR 26 HE2 TYR 26 7.454 -9.020 -8.909
190 HE2 TYR 26 HE1 TYR 26 4.151 -6.243 -8.993
191 HH TYR 26 HH TYR 26 5.230 -9.658 -8.723
192 H SER 27 H SER 27 8.474 -1.778 -8.078
193 HA SER 27 HA SER 27 10.564 -0.314 -9.572
194 HB2 SER 27 HB2 SER 27 8.156 -0.084 -10.148
195 HB3 SER 27 HB3 SER 27 7.868 0.644 -8.557
196 HG SER 27 HG SER 27 8.357 2.020 -10.546
197 H ASN 28 H ASN 28 10.246 -1.329 -6.451
198 HA ASN 28 HA ASN 28 10.862 -0.677 -4.446
199 HB2 ASN 28 HB2 ASN 28 12.981 -1.002 -5.723
200 HB3 ASN 28 HB3 ASN 28 13.009 0.715 -6.118
201 HD21 ASN 28 HD21 ASN 28 12.939 -1.476 -3.187
202 HD22 ASN 28 HD22 ASN 28 14.031 -0.418 -2.313
203 H THR 29 H THR 29 8.705 0.835 -5.264
204 HA THR 29 HA THR 29 9.084 3.215 -3.690
205 HB THR 29 HB THR 29 9.788 3.908 -6.035
206 HG1 THR 29 HG1 THR 29 8.546 5.859 -5.860
207 HG21 THR 29 HG21 THR 29 8.068 2.662 -7.318
208 HG22 THR 29 HG22 THR 29 8.035 4.401 -7.662
209 HG23 THR 29 HG23 THR 29 6.800 3.700 -6.623
210 H CYS 30 H CYS 30 6.778 4.523 -3.925
211 HA CYS 30 HA CYS 30 4.597 2.526 -3.636
212 HB2 CYS 30 HB2 CYS 30 5.886 3.725 -1.514
213 HB3 CYS 30 HB3 CYS 30 4.639 4.913 -1.890
214 H HIS 31 H HIS 31 2.535 3.344 -4.314
215 HA HIS 31 HA HIS 31 2.467 6.114 -5.326
216 HB2 HIS 31 HB2 HIS 31 3.142 4.295 -7.073
217 HB3 HIS 31 HB3 HIS 31 1.479 3.723 -6.942
218 HD1 HIS 31 HD1 HIS 31 -0.047 4.956 -8.747
219 HD2 HIS 31 HD2 HIS 31 3.241 7.147 -7.306
220 HE1 HIS 31 HE1 HIS 31 -0.118 7.198 -9.962
221 H SER 32 H SER 32 0.302 7.046 -5.247
222 HA SER 32 HA SER 32 -1.356 5.703 -3.330
223 HB2 SER 32 HB2 SER 32 -2.882 7.641 -3.842
224 HB3 SER 32 HB3 SER 32 -1.331 7.958 -3.061
225 HG SER 32 HG SER 32 -1.765 9.416 -4.756
226 H PHE 33 H PHE 33 -3.281 4.679 -3.559
227 HA PHE 33 HA PHE 33 -4.455 4.306 -6.231
228 HB2 PHE 33 HB2 PHE 33 -4.415 2.017 -6.187
229 HB3 PHE 33 HB3 PHE 33 -2.798 2.420 -5.594
230 HD1 PHE 33 HD2 PHE 33 -2.699 2.637 -2.907
231 HD2 PHE 33 HD1 PHE 33 -5.624 0.354 -5.087
232 HE1 PHE 33 HE2 PHE 33 -3.151 1.281 -0.908
233 HE2 PHE 33 HE1 PHE 33 -6.095 -0.972 -3.092
234 HZ PHE 33 HZ PHE 33 -4.770 -0.518 -0.959
235 H THR 34 H THR 34 -6.626 2.840 -5.696
236 HA THR 34 HA THR 34 -8.041 4.453 -3.619
237 HB THR 34 HB THR 34 -10.111 3.691 -4.756
238 HG1 THR 34 HG1 THR 34 -9.957 2.196 -6.142
239 HG21 THR 34 HG21 THR 34 -8.150 5.076 -6.632
240 HG22 THR 34 HG22 THR 34 -9.013 5.875 -5.293
241 HG23 THR 34 HG23 THR 34 -9.914 5.181 -6.660
242 H TYR 35 H TYR 35 -8.766 3.560 -1.743
243 HA TYR 35 HA TYR 35 -8.636 0.620 -1.560
244 HB2 TYR 35 HB2 TYR 35 -6.943 1.766 -0.298
245 HB3 TYR 35 HB3 TYR 35 -8.185 2.577 0.649
246 HD1 TYR 35 HD1 TYR 35 -6.592 -0.781 -0.064
247 HD2 TYR 35 HD2 TYR 35 -9.226 1.463 2.542
248 HE1 TYR 35 HE1 TYR 35 -6.177 -2.375 1.721
249 HE2 TYR 35 HE2 TYR 35 -8.974 -0.317 4.258
250 HH TYR 35 HH TYR 35 -8.247 -2.872 4.208
251 H SER 36 H SER 36 -10.200 -0.272 0.225
252 HA SER 36 HA SER 36 -12.854 0.962 -0.038
253 HB2 SER 36 HB2 SER 36 -13.520 -1.381 0.775
254 HB3 SER 36 HB3 SER 36 -12.812 -1.238 -0.832
255 HG SER 36 HG SER 36 -11.686 -2.888 0.084
256 H GLY 37 H GLY 37 -11.407 -1.046 2.584
257 HA2 GLY 37 HA2 GLY 37 -11.002 0.523 4.703
258 HA3 GLY 37 HA3 GLY 37 -12.760 0.689 4.587
259 H CYS 38 H CYS 38 -14.030 -1.386 4.410
260 HA CYS 38 HA CYS 38 -13.515 -3.059 6.609
261 HB2 CYS 38 HB2 CYS 38 -15.375 -4.273 5.972
262 HB3 CYS 38 HB3 CYS 38 -15.705 -2.691 5.290
263 H GLY 39 H GLY 39 -12.671 -3.374 3.249
264 HA2 GLY 39 HA2 GLY 39 -11.352 -6.006 3.620
265 HA3 GLY 39 HA3 GLY 39 -11.913 -5.318 2.085
266 H GLY 40 H GLY 40 -9.684 -6.053 1.652
267 HA2 GLY 40 HA2 GLY 40 -7.823 -4.964 0.653
268 HA3 GLY 40 HA3 GLY 40 -7.917 -3.710 1.859
269 H ASN 41 H ASN 41 -5.503 -5.155 1.343
270 HA ASN 41 HA ASN 41 -5.264 -6.955 3.715
271 HB2 ASN 41 HB2 ASN 41 -3.810 -6.760 1.055
272 HB3 ASN 41 HB3 ASN 41 -3.051 -7.474 2.449
273 HD21 ASN 41 HD21 ASN 41 -6.595 -8.116 2.210
274 HD22 ASN 41 HD22 ASN 41 -6.322 -9.754 1.717
275 H ALA 42 H ALA 42 -2.993 -6.882 4.610
276 HA ALA 42 HA ALA 42 -2.535 -4.443 5.874
277 HB1 ALA 42 HB1 ALA 42 -1.736 -6.764 6.582
278 HB2 ALA 42 HB2 ALA 42 -0.398 -6.553 5.407
279 HB3 ALA 42 HB3 ALA 42 -0.562 -5.445 6.766
280 H ASN 43 H ASN 43 -1.766 -5.044 2.514
281 HA ASN 43 HA ASN 43 0.717 -3.557 2.556
282 HB2 ASN 43 HB2 ASN 43 0.733 -3.703 0.237
283 HB3 ASN 43 HB3 ASN 43 0.022 -5.213 0.764
284 HD21 ASN 43 HD21 ASN 43 -0.358 -2.411 -1.171
285 HD22 ASN 43 HD22 ASN 43 -1.959 -2.778 -1.745
286 H ARG 44 H ARG 44 -2.345 -2.446 3.351
287 HA ARG 44 HA ARG 44 -2.408 -0.019 1.828
288 HB2 ARG 44 HB2 ARG 44 -4.421 -0.899 2.861
289 HB3 ARG 44 HB3 ARG 44 -3.669 -1.044 4.436
290 HG2 ARG 44 HG2 ARG 44 -3.683 1.271 4.866
291 HG3 ARG 44 HG3 ARG 44 -3.813 1.695 3.174
292 HD2 ARG 44 HD2 ARG 44 -6.086 0.696 3.130
293 HD3 ARG 44 HD3 ARG 44 -6.024 0.546 4.894
294 HE ARG 44 HE ARG 44 -6.187 2.932 3.179
295 HH11 ARG 44 HH11 ARG 44 -5.322 1.722 6.434
296 HH12 ARG 44 HH12 ARG 44 -5.534 3.254 7.211
297 HH21 ARG 44 HH21 ARG 44 -6.281 5.095 4.363
298 HH22 ARG 44 HH22 ARG 44 -6.200 5.051 6.093
299 H PHE 45 H PHE 45 -1.491 1.877 2.215
300 HA PHE 45 HA PHE 45 -0.326 2.530 4.847
301 HB2 PHE 45 HB2 PHE 45 1.090 2.517 2.196
302 HB3 PHE 45 HB3 PHE 45 1.432 3.841 3.296
303 HD1 PHE 45 HD1 PHE 45 2.301 3.448 5.609
304 HD2 PHE 45 HD2 PHE 45 1.799 0.233 2.782
305 HE1 PHE 45 HE1 PHE 45 3.606 1.936 7.082
306 HE2 PHE 45 HE2 PHE 45 3.185 -1.234 4.194
307 HZ PHE 45 HZ PHE 45 4.052 -0.381 6.388
308 H ARG 46 H ARG 46 0.057 4.867 5.008
309 HA ARG 46 HA ARG 46 -2.247 6.389 3.896
310 HB2 ARG 46 HB2 ARG 46 -1.619 7.954 5.912
311 HB3 ARG 46 HB3 ARG 46 -2.611 6.529 6.103
312 HG2 ARG 46 HG2 ARG 46 -1.030 6.819 7.950
313 HG3 ARG 46 HG3 ARG 46 -0.868 5.275 7.134
314 HD2 ARG 46 HD2 ARG 46 1.309 6.037 7.691
315 HD3 ARG 46 HD3 ARG 46 1.170 6.141 5.953
316 HE ARG 46 HE ARG 46 1.058 8.516 6.048
317 HH11 ARG 46 HH11 ARG 46 1.825 7.031 9.241
318 HH12 ARG 46 HH12 ARG 46 2.565 8.472 9.820
319 HH21 ARG 46 HH21 ARG 46 1.903 10.451 7.009
320 HH22 ARG 46 HH22 ARG 46 2.883 10.305 8.440
321 H THR 47 H THR 47 1.251 6.227 3.727
322 HA THR 47 HA THR 47 1.180 8.365 1.899
323 HB THR 47 HB THR 47 1.346 9.652 4.063
324 HG1 THR 47 HG1 THR 47 2.200 10.839 2.502
325 HG21 THR 47 HG21 THR 47 4.202 8.650 4.175
326 HG22 THR 47 HG22 THR 47 2.976 7.843 5.115
327 HG23 THR 47 HG23 THR 47 3.341 9.586 5.370
328 H ILE 48 H ILE 48 3.160 8.552 0.744
329 HA ILE 48 HA ILE 48 4.486 6.062 0.270
330 HB ILE 48 HB ILE 48 4.216 7.610 -1.485
331 HG12 ILE 48 HG12 ILE 48 7.178 7.560 -0.797
332 HG13 ILE 48 HG13 ILE 48 6.284 6.237 -1.491
333 HG21 ILE 48 HG21 ILE 48 4.110 9.798 -0.310
334 HG22 ILE 48 HG22 ILE 48 5.832 9.674 0.103
335 HG23 ILE 48 HG23 ILE 48 5.354 9.892 -1.553
336 HD11 ILE 48 HD11 ILE 48 6.856 8.908 -2.820
337 HD12 ILE 48 HD12 ILE 48 7.381 7.308 -3.330
338 HD13 ILE 48 HD13 ILE 48 5.674 7.748 -3.457
339 H ASP 49 H ASP 49 5.133 8.910 2.284
340 HA ASP 49 HA ASP 49 7.885 8.490 2.688
341 HB2 ASP 49 HB2 ASP 49 5.922 10.351 3.495
342 HB3 ASP 49 HB3 ASP 49 6.542 9.658 4.986
343 H GLU 50 H GLU 50 5.096 7.075 4.321
344 HA GLU 50 HA GLU 50 6.787 5.823 6.351
345 HB2 GLU 50 HB2 GLU 50 4.420 6.673 6.757
346 HB3 GLU 50 HB3 GLU 50 3.864 5.317 5.778
347 HG2 GLU 50 HG2 GLU 50 3.745 4.701 8.129
348 HG3 GLU 50 HG3 GLU 50 5.029 3.748 7.379
349 H CYS 51 H CYS 51 4.918 5.004 3.383
350 HA CYS 51 HA CYS 51 5.284 2.229 3.473
351 HB2 CYS 51 HB2 CYS 51 3.668 3.259 2.036
352 HB3 CYS 51 HB3 CYS 51 4.916 4.248 1.252
353 H ASN 52 H ASN 52 7.355 4.823 2.078
354 HA ASN 52 HA ASN 52 9.182 2.923 0.967
355 HB2 ASN 52 HB2 ASN 52 10.335 4.609 -0.010
356 HB3 ASN 52 HB3 ASN 52 8.711 5.273 0.060
357 HD21 ASN 52 HD21 ASN 52 8.632 7.387 0.768
358 HD22 ASN 52 HD22 ASN 52 9.955 8.171 1.624
359 H ARG 53 H ARG 53 9.451 5.202 3.703
360 HA ARG 53 HA ARG 53 11.879 4.206 4.619
361 HB2 ARG 53 HB2 ARG 53 11.620 5.438 6.552
362 HB3 ARG 53 HB3 ARG 53 10.584 6.260 5.367
363 HG2 ARG 53 HG2 ARG 53 8.647 4.982 6.327
364 HG3 ARG 53 HG3 ARG 53 9.677 4.449 7.645
365 HD2 ARG 53 HD2 ARG 53 9.322 7.395 6.915
366 HD3 ARG 53 HD3 ARG 53 8.247 6.589 8.042
367 HE ARG 53 HE ARG 53 10.956 7.472 8.463
368 HH11 ARG 53 HH11 ARG 53 8.353 5.331 9.665
369 HH12 ARG 53 HH12 ARG 53 9.054 5.105 11.232
370 HH21 ARG 53 HH21 ARG 53 11.955 7.091 10.579
371 HH22 ARG 53 HH22 ARG 53 11.222 5.987 11.686
372 H THR 54 H THR 54 8.763 2.573 5.014
373 HA THR 54 HA THR 54 10.030 0.660 6.867
374 HB THR 54 HB THR 54 7.790 1.754 7.325
375 HG1 THR 54 HG1 THR 54 8.151 -1.047 7.340
376 HG21 THR 54 HG21 THR 54 6.585 -0.531 5.755
377 HG22 THR 54 HG22 THR 54 6.954 0.973 4.895
378 HG23 THR 54 HG23 THR 54 5.890 1.032 6.294
379 H CYS 55 H CYS 55 9.413 0.819 3.419
380 HA CYS 55 HA CYS 55 9.769 -2.141 3.346
381 HB2 CYS 55 HB2 CYS 55 8.062 -0.611 1.385
382 HB3 CYS 55 HB3 CYS 55 8.225 -2.356 1.571
383 H VAL 56 H VAL 56 10.099 0.804 1.317
384 HA VAL 56 HA VAL 56 11.529 -0.324 -0.781
385 HB VAL 56 HB VAL 56 11.510 2.416 0.488
386 HG11 VAL 56 HG11 VAL 56 12.665 3.437 -1.241
387 HG12 VAL 56 HG12 VAL 56 13.727 2.128 -0.750
388 HG13 VAL 56 HG13 VAL 56 12.731 1.956 -2.220
389 HG21 VAL 56 HG21 VAL 56 9.449 1.728 -0.660
390 HG22 VAL 56 HG22 VAL 56 10.253 2.969 -1.611
391 HG23 VAL 56 HG23 VAL 56 10.375 1.274 -2.096
392 H GLY 57 H GLY 57 13.103 -1.765 -0.549
393 HA2 GLY 57 HA2 GLY 57 15.679 -1.549 -0.300
394 HA3 GLY 57 HA3 GLY 57 15.279 -1.455 1.417
Start of MODEL 15
1 H1 ARG 1 H ARG 1 12.834 -4.996 2.507
2 HA ARG 1 HA ARG 1 10.654 -4.220 3.106
3 HB2 ARG 1 HB2 ARG 1 9.392 -4.537 1.029
4 HB3 ARG 1 HB3 ARG 1 11.014 -3.951 0.825
5 HG2 ARG 1 HG2 ARG 1 10.921 -6.883 0.451
6 HG3 ARG 1 HG3 ARG 1 9.796 -6.032 -0.570
7 HD2 ARG 1 HD2 ARG 1 11.657 -5.971 -1.932
8 HD3 ARG 1 HD3 ARG 1 11.790 -4.421 -1.139
9 HE ARG 1 HE ARG 1 13.686 -5.070 -0.013
10 HH11 ARG 1 HH11 ARG 1 12.368 -7.876 -1.714
11 HH12 ARG 1 HH12 ARG 1 13.900 -8.705 -1.820
12 HH21 ARG 1 HH21 ARG 1 15.543 -6.085 0.030
13 HH22 ARG 1 HH22 ARG 1 15.866 -7.564 -0.845
14 HA PRO 2 HA PRO 2 8.635 -7.587 5.194
15 HB2 PRO 2 HB2 PRO 2 6.572 -6.238 6.327
16 HB3 PRO 2 HB3 PRO 2 8.252 -6.073 6.899
17 HG2 PRO 2 HG2 PRO 2 6.757 -4.252 4.999
18 HG3 PRO 2 HG3 PRO 2 7.748 -3.800 6.428
19 HD2 PRO 2 HD2 PRO 2 8.735 -3.752 3.888
20 HD3 PRO 2 HD3 PRO 2 9.761 -4.210 5.281
21 H ARG 3 H ARG 3 6.804 -8.877 4.956
22 HA ARG 3 HA ARG 3 5.703 -8.962 2.348
23 HB2 ARG 3 HB2 ARG 3 4.852 -10.399 4.913
24 HB3 ARG 3 HB3 ARG 3 4.189 -10.742 3.306
25 HG2 ARG 3 HG2 ARG 3 5.858 -12.279 3.461
26 HG3 ARG 3 HG3 ARG 3 6.579 -10.952 2.513
27 HD2 ARG 3 HD2 ARG 3 7.935 -10.249 4.263
28 HD3 ARG 3 HD3 ARG 3 6.989 -11.093 5.505
29 HE ARG 3 HE ARG 3 9.114 -12.094 3.790
30 HH11 ARG 3 HH11 ARG 3 6.313 -13.123 5.823
31 HH12 ARG 3 HH12 ARG 3 7.001 -14.699 6.096
32 HH21 ARG 3 HH21 ARG 3 9.736 -14.320 3.999
33 HH22 ARG 3 HH22 ARG 3 8.918 -15.363 5.159
34 H PHE 4 H PHE 4 4.596 -7.528 5.170
35 HA PHE 4 HA PHE 4 1.784 -7.394 4.520
36 HB2 PHE 4 HB2 PHE 4 1.459 -5.958 6.217
37 HB3 PHE 4 HB3 PHE 4 2.899 -6.773 6.775
38 HD1 PHE 4 HD2 PHE 4 1.566 -3.714 5.144
39 HD2 PHE 4 HD1 PHE 4 4.839 -5.468 7.283
40 HE1 PHE 4 HE2 PHE 4 2.530 -1.439 5.536
41 HE2 PHE 4 HE1 PHE 4 5.891 -3.214 7.524
42 HZ PHE 4 HZ PHE 4 4.748 -1.219 6.644
43 H CYS 5 H CYS 5 4.603 -5.502 3.501
44 HA CYS 5 HA CYS 5 3.043 -3.507 2.196
45 HB2 CYS 5 HB2 CYS 5 5.875 -4.123 2.655
46 HB3 CYS 5 HB3 CYS 5 5.631 -3.650 0.996
47 H GLU 6 H GLU 6 4.025 -6.776 1.355
48 HA GLU 6 HA GLU 6 3.650 -6.194 -1.534
49 HB2 GLU 6 HB2 GLU 6 4.816 -8.044 -2.038
50 HB3 GLU 6 HB3 GLU 6 5.585 -7.571 -0.546
51 HG2 GLU 6 HG2 GLU 6 5.106 -9.510 0.481
52 HG3 GLU 6 HG3 GLU 6 3.432 -9.558 -0.059
53 H LEU 7 H LEU 7 1.369 -6.604 0.755
54 HA LEU 7 HA LEU 7 -0.035 -8.871 -0.366
55 HB2 LEU 7 HB2 LEU 7 -1.008 -6.641 1.441
56 HB3 LEU 7 HB3 LEU 7 -1.856 -8.164 1.107
57 HG LEU 7 HG LEU 7 0.714 -7.723 2.645
58 HD11 LEU 7 HD11 LEU 7 -0.475 -8.688 4.497
59 HD12 LEU 7 HD12 LEU 7 -1.844 -9.143 3.464
60 HD13 LEU 7 HD13 LEU 7 -1.497 -7.435 3.776
61 HD21 LEU 7 HD21 LEU 7 1.178 -9.732 1.394
62 HD22 LEU 7 HD22 LEU 7 -0.429 -10.404 1.791
63 HD23 LEU 7 HD23 LEU 7 0.799 -10.176 3.050
64 H ALA 8 H ALA 8 -2.237 -8.639 -1.131
65 HA ALA 8 HA ALA 8 -2.377 -6.629 -3.329
66 HB1 ALA 8 HB1 ALA 8 -2.480 -9.012 -4.025
67 HB2 ALA 8 HB2 ALA 8 -3.880 -9.243 -2.950
68 HB3 ALA 8 HB3 ALA 8 -3.995 -8.149 -4.340
69 HA PRO 9 HA PRO 9 -5.189 -5.005 -0.196
70 HB2 PRO 9 HB2 PRO 9 -6.171 -2.816 -1.476
71 HB3 PRO 9 HB3 PRO 9 -4.540 -2.902 -0.751
72 HG2 PRO 9 HG2 PRO 9 -5.312 -3.311 -3.662
73 HG3 PRO 9 HG3 PRO 9 -3.951 -2.360 -3.001
74 HD2 PRO 9 HD2 PRO 9 -3.663 -4.910 -3.937
75 HD3 PRO 9 HD3 PRO 9 -2.667 -4.270 -2.588
76 H SER 10 H SER 10 -7.075 -6.257 0.084
77 HA SER 10 HA SER 10 -8.781 -6.884 -2.156
78 HB2 SER 10 HB2 SER 10 -8.243 -8.484 -0.313
79 HB3 SER 10 HB3 SER 10 -9.230 -7.510 0.784
80 HG SER 10 HG SER 10 -10.093 -8.750 -1.647
81 H ALA 11 H ALA 11 -8.866 -4.391 -2.399
82 HA ALA 11 HA ALA 11 -10.609 -2.824 -0.755
83 HB1 ALA 11 HB1 ALA 11 -8.789 -1.874 -2.140
84 HB2 ALA 11 HB2 ALA 11 -9.649 -2.381 -3.614
85 HB3 ALA 11 HB3 ALA 11 -10.356 -1.150 -2.546
86 H GLY 12 H GLY 12 -11.436 -5.324 -2.821
87 HA2 GLY 12 HA2 GLY 12 -13.901 -4.144 -3.953
88 HA3 GLY 12 HA3 GLY 12 -13.292 -5.788 -4.168
89 H SER 13 H SER 13 -13.107 -4.994 -0.943
90 HA SER 13 HA SER 13 -14.823 -6.871 0.112
91 HB2 SER 13 HB2 SER 13 -14.170 -5.532 2.185
92 HB3 SER 13 HB3 SER 13 -12.831 -6.052 1.156
93 HG SER 13 HG SER 13 -12.869 -3.724 1.865
94 H CYS 14 H CYS 14 -15.194 -3.299 0.125
95 HA CYS 14 HA CYS 14 -18.137 -3.515 0.230
96 HB2 CYS 14 HB2 CYS 14 -16.421 -1.978 2.227
97 HB3 CYS 14 HB3 CYS 14 -18.141 -1.725 1.971
98 H PHE 15 H PHE 15 -19.130 -1.460 -0.329
99 HA PHE 15 HA PHE 15 -17.526 -0.111 -2.377
100 HB2 PHE 15 HB2 PHE 15 -19.896 -0.935 -2.670
101 HB3 PHE 15 HB3 PHE 15 -20.418 0.335 -1.569
102 HD1 PHE 15 HD1 PHE 15 -19.717 2.823 -2.204
103 HD2 PHE 15 HD2 PHE 15 -19.714 -0.504 -4.951
104 HE1 PHE 15 HE1 PHE 15 -19.641 4.382 -4.094
105 HE2 PHE 15 HE2 PHE 15 -19.864 1.072 -6.851
106 HZ PHE 15 HZ PHE 15 -19.841 3.518 -6.436
107 H ALA 16 H ALA 16 -16.192 1.425 -1.674
108 HA ALA 16 HA ALA 16 -17.245 3.762 -0.313
109 HB1 ALA 16 HB1 ALA 16 -14.914 2.219 0.877
110 HB2 ALA 16 HB2 ALA 16 -15.537 3.780 1.447
111 HB3 ALA 16 HB3 ALA 16 -16.528 2.312 1.588
112 H PHE 17 H PHE 17 -15.531 5.505 -0.403
113 HA PHE 17 HA PHE 17 -13.476 4.993 -2.500
114 HB2 PHE 17 HB2 PHE 17 -15.553 6.109 -3.383
115 HB3 PHE 17 HB3 PHE 17 -15.222 7.476 -2.333
116 HD1 PHE 17 HD2 PHE 17 -12.919 5.375 -4.489
117 HD2 PHE 17 HD1 PHE 17 -14.717 9.251 -3.860
118 HE1 PHE 17 HE2 PHE 17 -11.406 6.332 -6.157
119 HE2 PHE 17 HE1 PHE 17 -13.300 10.177 -5.675
120 HZ PHE 17 HZ PHE 17 -11.625 8.740 -6.804
121 H VAL 18 H VAL 18 -11.706 4.954 -1.172
122 HA VAL 18 HA VAL 18 -10.998 7.444 0.197
123 HB VAL 18 HB VAL 18 -10.039 6.021 2.094
124 HG11 VAL 18 HG11 VAL 18 -13.070 6.306 1.945
125 HG12 VAL 18 HG12 VAL 18 -12.045 6.301 3.398
126 HG13 VAL 18 HG13 VAL 18 -11.941 7.641 2.254
127 HG21 VAL 18 HG21 VAL 18 -12.250 4.103 1.210
128 HG22 VAL 18 HG22 VAL 18 -10.506 3.767 1.144
129 HG23 VAL 18 HG23 VAL 18 -11.297 3.996 2.703
130 HA PRO 19 HA PRO 19 -7.618 6.018 -2.395
131 HB2 PRO 19 HB2 PRO 19 -6.105 8.291 -2.499
132 HB3 PRO 19 HB3 PRO 19 -7.630 8.099 -3.407
133 HG2 PRO 19 HG2 PRO 19 -7.184 9.558 -0.807
134 HG3 PRO 19 HG3 PRO 19 -8.173 10.031 -2.221
135 HD2 PRO 19 HD2 PRO 19 -9.180 8.814 0.088
136 HD3 PRO 19 HD3 PRO 19 -9.956 8.687 -1.510
137 H SER 20 H SER 20 -5.952 4.839 -1.738
138 HA SER 20 HA SER 20 -4.366 5.823 0.560
139 HB2 SER 20 HB2 SER 20 -5.784 4.034 1.397
140 HB3 SER 20 HB3 SER 20 -5.074 2.907 0.229
141 HG SER 20 HG SER 20 -3.824 4.140 2.434
142 H TYR 21 H TYR 21 -2.315 4.108 0.551
143 HA TYR 21 HA TYR 21 -0.880 4.594 -2.017
144 HB2 TYR 21 HB2 TYR 21 -0.253 4.974 0.877
145 HB3 TYR 21 HB3 TYR 21 0.996 4.395 -0.147
146 HD1 TYR 21 HD2 TYR 21 1.786 6.036 -2.270
147 HD2 TYR 21 HD1 TYR 21 -0.981 7.217 0.894
148 HE1 TYR 21 HE2 TYR 21 2.121 8.309 -2.844
149 HE2 TYR 21 HE1 TYR 21 -0.545 9.575 0.328
150 HH TYR 21 HH TYR 21 1.627 10.521 -2.377
151 H TYR 22 H TYR 22 0.006 2.931 -2.990
152 HA TYR 22 HA TYR 22 -0.085 0.166 -1.805
153 HB2 TYR 22 HB2 TYR 22 -1.242 0.975 -3.940
154 HB3 TYR 22 HB3 TYR 22 0.331 1.106 -4.662
155 HD1 TYR 22 HD1 TYR 22 1.815 -0.844 -5.082
156 HD2 TYR 22 HD2 TYR 22 -2.350 -1.158 -4.041
157 HE1 TYR 22 HE1 TYR 22 1.793 -3.107 -6.018
158 HE2 TYR 22 HE2 TYR 22 -2.387 -3.460 -5.015
159 HH TYR 22 HH TYR 22 0.473 -4.921 -6.621
160 H TYR 23 H TYR 23 1.874 -1.140 -1.899
161 HA TYR 23 HA TYR 23 4.384 0.417 -2.505
162 HB2 TYR 23 HB2 TYR 23 4.384 -0.391 -0.308
163 HB3 TYR 23 HB3 TYR 23 3.758 -1.949 -0.785
164 HD1 TYR 23 HD1 TYR 23 6.749 0.231 -0.665
165 HD2 TYR 23 HD2 TYR 23 5.214 -3.676 -1.686
166 HE1 TYR 23 HE1 TYR 23 9.042 -0.638 -0.726
167 HE2 TYR 23 HE2 TYR 23 7.499 -4.548 -1.689
168 HH TYR 23 HH TYR 23 9.687 -4.088 -1.401
169 H ASN 24 H ASN 24 5.898 -0.225 -4.055
170 HA ASN 24 HA ASN 24 5.265 -2.682 -5.625
171 HB2 ASN 24 HB2 ASN 24 6.069 0.061 -6.660
172 HB3 ASN 24 HB3 ASN 24 6.189 -1.416 -7.597
173 HD21 ASN 24 HD21 ASN 24 4.207 1.201 -7.189
174 HD22 ASN 24 HD22 ASN 24 2.673 0.477 -7.617
175 H GLN 25 H GLN 25 6.918 -3.924 -4.509
176 HA GLN 25 HA GLN 25 9.585 -3.048 -4.140
177 HB2 GLN 25 HB2 GLN 25 10.242 -5.491 -4.241
178 HB3 GLN 25 HB3 GLN 25 9.141 -5.057 -2.981
179 HG2 GLN 25 HG2 GLN 25 8.155 -6.299 -5.583
180 HG3 GLN 25 HG3 GLN 25 8.784 -7.256 -4.230
181 HE21 GLN 25 HE21 GLN 25 5.893 -5.675 -5.380
182 HE22 GLN 25 HE22 GLN 25 5.023 -5.781 -3.891
183 H TYR 26 H TYR 26 7.969 -4.278 -7.047
184 HA TYR 26 HA TYR 26 10.144 -4.982 -8.626
185 HB2 TYR 26 HB2 TYR 26 7.555 -3.573 -9.379
186 HB3 TYR 26 HB3 TYR 26 8.645 -4.332 -10.523
187 HD1 TYR 26 HD2 TYR 26 9.168 -6.863 -10.179
188 HD2 TYR 26 HD1 TYR 26 5.781 -4.842 -8.452
189 HE1 TYR 26 HE2 TYR 26 8.003 -9.034 -9.967
190 HE2 TYR 26 HE1 TYR 26 4.620 -7.019 -8.178
191 HH TYR 26 HH TYR 26 5.539 -9.866 -9.761
192 H SER 27 H SER 27 8.902 -1.704 -7.875
193 HA SER 27 HA SER 27 11.111 -0.525 -9.459
194 HB2 SER 27 HB2 SER 27 8.810 0.009 -10.186
195 HB3 SER 27 HB3 SER 27 8.473 0.661 -8.581
196 HG SER 27 HG SER 27 9.799 1.772 -10.729
197 H ASN 28 H ASN 28 10.484 -1.358 -6.305
198 HA ASN 28 HA ASN 28 11.223 -0.693 -4.293
199 HB2 ASN 28 HB2 ASN 28 13.366 -1.130 -5.383
200 HB3 ASN 28 HB3 ASN 28 13.413 0.464 -6.092
201 HD21 ASN 28 HD21 ASN 28 13.280 -0.937 -2.705
202 HD22 ASN 28 HD22 ASN 28 14.569 0.127 -2.161
203 H THR 29 H THR 29 9.094 0.775 -5.040
204 HA THR 29 HA THR 29 9.432 3.262 -3.622
205 HB THR 29 HB THR 29 10.030 3.921 -5.962
206 HG1 THR 29 HG1 THR 29 8.299 5.603 -6.045
207 HG21 THR 29 HG21 THR 29 7.124 3.251 -6.624
208 HG22 THR 29 HG22 THR 29 8.558 2.385 -7.217
209 HG23 THR 29 HG23 THR 29 8.282 4.069 -7.674
210 H CYS 30 H CYS 30 6.875 4.368 -3.975
211 HA CYS 30 HA CYS 30 4.955 2.181 -3.749
212 HB2 CYS 30 HB2 CYS 30 4.772 4.423 -1.794
213 HB3 CYS 30 HB3 CYS 30 4.240 2.741 -1.732
214 H HIS 31 H HIS 31 2.802 2.987 -4.393
215 HA HIS 31 HA HIS 31 2.742 5.686 -5.540
216 HB2 HIS 31 HB2 HIS 31 3.497 3.716 -7.155
217 HB3 HIS 31 HB3 HIS 31 1.793 3.272 -7.115
218 HD1 HIS 31 HD1 HIS 31 1.268 4.017 -9.664
219 HD2 HIS 31 HD2 HIS 31 3.203 6.907 -7.268
220 HE1 HIS 31 HE1 HIS 31 1.195 6.144 -10.967
221 H SER 32 H SER 32 0.594 6.577 -5.576
222 HA SER 32 HA SER 32 -1.199 5.571 -3.627
223 HB2 SER 32 HB2 SER 32 -1.630 7.407 -5.890
224 HB3 SER 32 HB3 SER 32 -2.697 7.306 -4.469
225 HG SER 32 HG SER 32 -1.431 8.989 -4.050
226 H PHE 33 H PHE 33 -3.160 4.528 -3.806
227 HA PHE 33 HA PHE 33 -4.183 3.587 -6.394
228 HB2 PHE 33 HB2 PHE 33 -4.129 1.351 -5.934
229 HB3 PHE 33 HB3 PHE 33 -2.571 1.877 -5.320
230 HD1 PHE 33 HD2 PHE 33 -2.512 2.354 -2.721
231 HD2 PHE 33 HD1 PHE 33 -5.621 0.086 -4.608
232 HE1 PHE 33 HE2 PHE 33 -3.016 1.237 -0.540
233 HE2 PHE 33 HE1 PHE 33 -6.266 -0.841 -2.454
234 HZ PHE 33 HZ PHE 33 -4.906 -0.329 -0.368
235 H THR 34 H THR 34 -6.393 2.201 -5.641
236 HA THR 34 HA THR 34 -7.951 4.178 -4.011
237 HB THR 34 HB THR 34 -9.875 3.039 -5.236
238 HG1 THR 34 HG1 THR 34 -9.279 1.385 -6.280
239 HG21 THR 34 HG21 THR 34 -9.146 5.265 -5.868
240 HG22 THR 34 HG22 THR 34 -9.586 4.337 -7.303
241 HG23 THR 34 HG23 THR 34 -7.874 4.595 -6.908
242 H TYR 35 H TYR 35 -8.761 3.580 -2.013
243 HA TYR 35 HA TYR 35 -8.847 0.682 -1.453
244 HB2 TYR 35 HB2 TYR 35 -7.130 2.062 -0.197
245 HB3 TYR 35 HB3 TYR 35 -8.460 2.769 0.672
246 HD1 TYR 35 HD1 TYR 35 -7.241 -0.685 -0.396
247 HD2 TYR 35 HD2 TYR 35 -8.897 1.757 2.764
248 HE1 TYR 35 HE1 TYR 35 -6.722 -2.438 1.231
249 HE2 TYR 35 HE2 TYR 35 -8.504 -0.047 4.369
250 HH TYR 35 HH TYR 35 -7.650 -2.390 4.608
251 H SER 36 H SER 36 -10.395 0.414 0.734
252 HA SER 36 HA SER 36 -12.805 2.049 0.489
253 HB2 SER 36 HB2 SER 36 -14.182 -0.091 0.509
254 HB3 SER 36 HB3 SER 36 -13.366 0.323 -1.004
255 HG SER 36 HG SER 36 -12.896 -1.726 -0.748
256 H GLY 37 H GLY 37 -14.405 1.100 2.417
257 HA2 GLY 37 HA2 GLY 37 -12.929 1.674 4.807
258 HA3 GLY 37 HA3 GLY 37 -14.640 1.261 4.686
259 H CYS 38 H CYS 38 -15.072 -1.112 4.180
260 HA CYS 38 HA CYS 38 -13.757 -2.674 6.244
261 HB2 CYS 38 HB2 CYS 38 -15.521 -4.065 6.108
262 HB3 CYS 38 HB3 CYS 38 -16.261 -2.652 5.392
263 H GLY 39 H GLY 39 -13.267 -5.100 5.650
264 HA2 GLY 39 HA2 GLY 39 -11.789 -6.580 4.775
265 HA3 GLY 39 HA3 GLY 39 -12.285 -5.999 3.193
266 H GLY 40 H GLY 40 -10.571 -5.636 1.969
267 HA2 GLY 40 HA2 GLY 40 -8.617 -4.745 1.238
268 HA3 GLY 40 HA3 GLY 40 -8.618 -3.714 2.659
269 H ASN 41 H ASN 41 -6.175 -4.419 2.095
270 HA ASN 41 HA ASN 41 -5.513 -6.562 4.028
271 HB2 ASN 41 HB2 ASN 41 -4.164 -6.354 1.278
272 HB3 ASN 41 HB3 ASN 41 -3.588 -7.297 2.616
273 HD21 ASN 41 HD21 ASN 41 -4.206 -9.453 2.741
274 HD22 ASN 41 HD22 ASN 41 -5.668 -10.044 1.962
275 H ALA 42 H ALA 42 -3.195 -6.452 4.660
276 HA ALA 42 HA ALA 42 -2.617 -3.990 5.758
277 HB1 ALA 42 HB1 ALA 42 -0.560 -4.878 6.499
278 HB2 ALA 42 HB2 ALA 42 -1.724 -6.218 6.489
279 HB3 ALA 42 HB3 ALA 42 -0.508 -6.071 5.188
280 H ASN 43 H ASN 43 -2.066 -4.772 2.429
281 HA ASN 43 HA ASN 43 0.229 -3.175 1.869
282 HB2 ASN 43 HB2 ASN 43 -0.353 -4.608 0.180
283 HB3 ASN 43 HB3 ASN 43 -2.088 -4.321 0.334
284 HD21 ASN 43 HD21 ASN 43 0.667 -3.543 -1.616
285 HD22 ASN 43 HD22 ASN 43 -0.326 -2.512 -2.609
286 H ARG 44 H ARG 44 -2.968 -2.200 2.880
287 HA ARG 44 HA ARG 44 -2.882 0.419 1.609
288 HB2 ARG 44 HB2 ARG 44 -5.004 -0.345 2.120
289 HB3 ARG 44 HB3 ARG 44 -4.578 -0.936 3.727
290 HG2 ARG 44 HG2 ARG 44 -4.338 2.012 3.295
291 HG3 ARG 44 HG3 ARG 44 -5.957 1.393 3.231
292 HD2 ARG 44 HD2 ARG 44 -4.000 1.000 5.537
293 HD3 ARG 44 HD3 ARG 44 -5.237 2.259 5.421
294 HE ARG 44 HE ARG 44 -6.118 -0.505 5.057
295 HH11 ARG 44 HH11 ARG 44 -5.675 2.178 7.363
296 HH12 ARG 44 HH12 ARG 44 -7.000 1.700 8.397
297 HH21 ARG 44 HH21 ARG 44 -7.807 -1.248 6.726
298 HH22 ARG 44 HH22 ARG 44 -8.153 -0.132 8.019
299 H PHE 45 H PHE 45 -2.079 2.248 2.407
300 HA PHE 45 HA PHE 45 -0.765 2.302 5.088
301 HB2 PHE 45 HB2 PHE 45 0.316 3.604 2.577
302 HB3 PHE 45 HB3 PHE 45 1.126 3.446 4.095
303 HD1 PHE 45 HD1 PHE 45 0.712 0.416 4.636
304 HD2 PHE 45 HD2 PHE 45 1.679 2.621 1.056
305 HE1 PHE 45 HE1 PHE 45 1.589 -1.644 3.572
306 HE2 PHE 45 HE2 PHE 45 2.571 0.614 0.053
307 HZ PHE 45 HZ PHE 45 2.546 -1.556 1.280
308 H ARG 46 H ARG 46 0.140 4.879 5.144
309 HA ARG 46 HA ARG 46 -2.304 6.548 4.805
310 HB2 ARG 46 HB2 ARG 46 -1.198 7.823 6.795
311 HB3 ARG 46 HB3 ARG 46 -2.225 6.426 7.051
312 HG2 ARG 46 HG2 ARG 46 -0.314 6.449 8.540
313 HG3 ARG 46 HG3 ARG 46 -0.362 4.996 7.563
314 HD2 ARG 46 HD2 ARG 46 1.316 7.339 6.658
315 HD3 ARG 46 HD3 ARG 46 1.907 6.398 7.998
316 HE ARG 46 HE ARG 46 2.260 5.764 5.348
317 HH11 ARG 46 HH11 ARG 46 1.589 4.150 8.486
318 HH12 ARG 46 HH12 ARG 46 2.238 2.626 7.931
319 HH21 ARG 46 HH21 ARG 46 3.337 3.727 4.815
320 HH22 ARG 46 HH22 ARG 46 3.269 2.453 5.981
321 H THR 47 H THR 47 1.134 6.258 4.167
322 HA THR 47 HA THR 47 1.063 8.424 2.375
323 HB THR 47 HB THR 47 1.275 9.633 4.598
324 HG1 THR 47 HG1 THR 47 2.353 11.077 3.585
325 HG21 THR 47 HG21 THR 47 4.133 8.633 4.498
326 HG22 THR 47 HG22 THR 47 2.970 7.993 5.634
327 HG23 THR 47 HG23 THR 47 3.415 9.709 5.704
328 H ILE 48 H ILE 48 2.952 8.554 1.073
329 HA ILE 48 HA ILE 48 4.237 6.014 0.661
330 HB ILE 48 HB ILE 48 3.930 7.297 -1.281
331 HG12 ILE 48 HG12 ILE 48 6.909 7.438 -0.567
332 HG13 ILE 48 HG13 ILE 48 6.030 6.001 -1.075
333 HG21 ILE 48 HG21 ILE 48 5.531 9.619 -0.116
334 HG22 ILE 48 HG22 ILE 48 4.786 9.540 -1.714
335 HG23 ILE 48 HG23 ILE 48 3.761 9.603 -0.295
336 HD11 ILE 48 HD11 ILE 48 7.164 6.800 -2.979
337 HD12 ILE 48 HD12 ILE 48 5.455 7.181 -3.207
338 HD13 ILE 48 HD13 ILE 48 6.591 8.467 -2.741
339 H ASP 49 H ASP 49 5.103 9.093 2.178
340 HA ASP 49 HA ASP 49 7.801 8.831 2.613
341 HB2 ASP 49 HB2 ASP 49 5.819 10.019 4.543
342 HB3 ASP 49 HB3 ASP 49 7.558 10.298 4.513
343 H GLU 50 H GLU 50 5.168 7.195 4.512
344 HA GLU 50 HA GLU 50 7.190 6.159 6.360
345 HB2 GLU 50 HB2 GLU 50 5.094 6.937 7.257
346 HB3 GLU 50 HB3 GLU 50 4.245 5.897 6.124
347 HG2 GLU 50 HG2 GLU 50 4.210 4.920 8.363
348 HG3 GLU 50 HG3 GLU 50 5.130 3.880 7.286
349 H CYS 51 H CYS 51 4.995 5.177 3.695
350 HA CYS 51 HA CYS 51 5.410 2.395 3.778
351 HB2 CYS 51 HB2 CYS 51 3.786 3.210 2.237
352 HB3 CYS 51 HB3 CYS 51 4.962 4.281 1.451
353 H ASN 52 H ASN 52 7.378 4.918 2.235
354 HA ASN 52 HA ASN 52 9.194 3.007 1.116
355 HB2 ASN 52 HB2 ASN 52 10.332 4.692 0.109
356 HB3 ASN 52 HB3 ASN 52 8.686 5.322 0.158
357 HD21 ASN 52 HD21 ASN 52 8.394 7.309 1.074
358 HD22 ASN 52 HD22 ASN 52 9.640 8.191 1.937
359 H ARG 53 H ARG 53 9.517 5.352 3.879
360 HA ARG 53 HA ARG 53 12.006 4.345 4.614
361 HB2 ARG 53 HB2 ARG 53 11.883 5.637 6.503
362 HB3 ARG 53 HB3 ARG 53 10.666 6.399 5.455
363 HG2 ARG 53 HG2 ARG 53 8.903 5.219 6.624
364 HG3 ARG 53 HG3 ARG 53 10.039 4.473 7.729
365 HD2 ARG 53 HD2 ARG 53 9.883 7.495 7.407
366 HD3 ARG 53 HD3 ARG 53 8.809 6.621 8.509
367 HE ARG 53 HE ARG 53 11.075 5.613 9.356
368 HH11 ARG 53 HH11 ARG 53 10.615 9.077 8.545
369 HH12 ARG 53 HH12 ARG 53 11.520 9.622 9.924
370 HH21 ARG 53 HH21 ARG 53 12.185 6.367 11.162
371 HH22 ARG 53 HH22 ARG 53 12.512 8.048 11.383
372 H THR 54 H THR 54 8.898 2.848 5.312
373 HA THR 54 HA THR 54 10.096 0.884 7.103
374 HB THR 54 HB THR 54 7.819 2.217 7.149
375 HG1 THR 54 HG1 THR 54 7.109 0.839 8.621
376 HG21 THR 54 HG21 THR 54 6.808 -0.386 5.980
377 HG22 THR 54 HG22 THR 54 6.974 1.095 5.017
378 HG23 THR 54 HG23 THR 54 5.895 1.095 6.412
379 H CYS 55 H CYS 55 9.614 0.922 3.639
380 HA CYS 55 HA CYS 55 9.946 -2.027 3.605
381 HB2 CYS 55 HB2 CYS 55 8.056 -0.463 1.814
382 HB3 CYS 55 HB3 CYS 55 8.406 -2.184 1.716
383 H VAL 56 H VAL 56 10.121 0.920 1.525
384 HA VAL 56 HA VAL 56 11.574 -0.190 -0.556
385 HB VAL 56 HB VAL 56 11.387 2.589 0.557
386 HG11 VAL 56 HG11 VAL 56 12.729 1.982 -2.063
387 HG12 VAL 56 HG12 VAL 56 12.365 3.554 -1.350
388 HG13 VAL 56 HG13 VAL 56 13.572 2.516 -0.590
389 HG21 VAL 56 HG21 VAL 56 10.303 1.239 -1.952
390 HG22 VAL 56 HG22 VAL 56 9.362 1.564 -0.486
391 HG23 VAL 56 HG23 VAL 56 9.973 2.900 -1.446
392 H GLY 57 H GLY 57 13.356 -1.234 -0.611
393 HA2 GLY 57 HA2 GLY 57 15.262 -1.408 1.518
394 HA3 GLY 57 HA3 GLY 57 15.436 -2.063 -0.127
Start of MODEL 16
1 H1 ARG 1 H ARG 1 12.542 -5.330 2.019
2 HA ARG 1 HA ARG 1 10.506 -4.438 3.130
3 HB2 ARG 1 HB2 ARG 1 8.825 -5.437 1.290
4 HB3 ARG 1 HB3 ARG 1 9.940 -4.161 0.970
5 HG2 ARG 1 HG2 ARG 1 10.580 -7.070 0.334
6 HG3 ARG 1 HG3 ARG 1 9.761 -5.979 -0.757
7 HD2 ARG 1 HD2 ARG 1 11.636 -5.023 -1.459
8 HD3 ARG 1 HD3 ARG 1 12.132 -4.607 0.156
9 HE ARG 1 HE ARG 1 13.683 -6.257 0.091
10 HH11 ARG 1 HH11 ARG 1 11.331 -6.958 -2.468
11 HH12 ARG 1 HH12 ARG 1 12.456 -7.832 -3.465
12 HH21 ARG 1 HH21 ARG 1 14.972 -7.881 -0.950
13 HH22 ARG 1 HH22 ARG 1 14.420 -8.582 -2.441
14 HA PRO 2 HA PRO 2 8.709 -7.723 5.577
15 HB2 PRO 2 HB2 PRO 2 6.542 -6.406 6.605
16 HB3 PRO 2 HB3 PRO 2 8.207 -6.101 7.154
17 HG2 PRO 2 HG2 PRO 2 6.614 -4.541 5.104
18 HG3 PRO 2 HG3 PRO 2 7.564 -3.892 6.490
19 HD2 PRO 2 HD2 PRO 2 8.602 -3.966 3.991
20 HD3 PRO 2 HD3 PRO 2 9.612 -4.338 5.418
21 H ARG 3 H ARG 3 7.024 -9.241 5.325
22 HA ARG 3 HA ARG 3 5.856 -9.541 2.817
23 HB2 ARG 3 HB2 ARG 3 4.777 -11.453 3.638
24 HB3 ARG 3 HB3 ARG 3 6.289 -11.352 4.509
25 HG2 ARG 3 HG2 ARG 3 3.491 -10.696 5.550
26 HG3 ARG 3 HG3 ARG 3 4.498 -12.058 6.006
27 HD2 ARG 3 HD2 ARG 3 5.039 -9.148 6.625
28 HD3 ARG 3 HD3 ARG 3 4.482 -10.381 7.772
29 HE ARG 3 HE ARG 3 6.743 -11.556 6.927
30 HH11 ARG 3 HH11 ARG 3 6.222 -8.457 8.547
31 HH12 ARG 3 HH12 ARG 3 7.932 -8.181 8.746
32 HH21 ARG 3 HH21 ARG 3 8.873 -11.168 7.127
33 HH22 ARG 3 HH22 ARG 3 9.517 -9.742 7.880
34 H PHE 4 H PHE 4 4.545 -7.545 5.413
35 HA PHE 4 HA PHE 4 1.822 -7.818 4.464
36 HB2 PHE 4 HB2 PHE 4 1.238 -6.246 6.052
37 HB3 PHE 4 HB3 PHE 4 2.582 -7.081 6.791
38 HD1 PHE 4 HD2 PHE 4 1.538 -3.975 5.029
39 HD2 PHE 4 HD1 PHE 4 4.568 -5.885 7.400
40 HE1 PHE 4 HE2 PHE 4 2.602 -1.736 5.527
41 HE2 PHE 4 HE1 PHE 4 5.664 -3.675 7.787
42 HZ PHE 4 HZ PHE 4 4.651 -1.611 6.873
43 H CYS 5 H CYS 5 4.623 -5.853 3.437
44 HA CYS 5 HA CYS 5 3.039 -3.859 2.117
45 HB2 CYS 5 HB2 CYS 5 5.821 -4.429 2.764
46 HB3 CYS 5 HB3 CYS 5 5.695 -4.070 1.058
47 H GLU 6 H GLU 6 3.873 -7.137 1.310
48 HA GLU 6 HA GLU 6 3.678 -6.446 -1.611
49 HB2 GLU 6 HB2 GLU 6 4.797 -8.496 -2.074
50 HB3 GLU 6 HB3 GLU 6 5.637 -7.513 -0.861
51 HG2 GLU 6 HG2 GLU 6 5.978 -9.572 -0.036
52 HG3 GLU 6 HG3 GLU 6 4.643 -9.021 0.916
53 H LEU 7 H LEU 7 1.372 -6.960 0.557
54 HA LEU 7 HA LEU 7 -0.047 -9.148 -0.701
55 HB2 LEU 7 HB2 LEU 7 -1.131 -6.974 1.111
56 HB3 LEU 7 HB3 LEU 7 -1.890 -8.532 0.743
57 HG LEU 7 HG LEU 7 0.563 -7.984 2.441
58 HD11 LEU 7 HD11 LEU 7 -0.702 -8.991 4.224
59 HD12 LEU 7 HD12 LEU 7 -2.000 -9.479 3.108
60 HD13 LEU 7 HD13 LEU 7 -1.719 -7.769 3.448
61 HD21 LEU 7 HD21 LEU 7 -0.428 -10.729 1.597
62 HD22 LEU 7 HD22 LEU 7 0.793 -10.379 2.859
63 HD23 LEU 7 HD23 LEU 7 1.130 -9.969 1.196
64 H ALA 8 H ALA 8 -2.202 -8.834 -1.646
65 HA ALA 8 HA ALA 8 -2.203 -6.592 -3.613
66 HB1 ALA 8 HB1 ALA 8 -3.779 -9.168 -3.677
67 HB2 ALA 8 HB2 ALA 8 -3.679 -7.940 -4.949
68 HB3 ALA 8 HB3 ALA 8 -2.244 -8.904 -4.543
69 HA PRO 9 HA PRO 9 -5.322 -5.336 -0.565
70 HB2 PRO 9 HB2 PRO 9 -5.962 -2.874 -1.517
71 HB3 PRO 9 HB3 PRO 9 -4.425 -3.230 -0.670
72 HG2 PRO 9 HG2 PRO 9 -4.907 -3.037 -3.659
73 HG3 PRO 9 HG3 PRO 9 -3.553 -2.355 -2.698
74 HD2 PRO 9 HD2 PRO 9 -3.393 -4.727 -4.082
75 HD3 PRO 9 HD3 PRO 9 -2.467 -4.408 -2.582
76 H SER 10 H SER 10 -7.062 -6.627 -0.752
77 HA SER 10 HA SER 10 -8.783 -6.796 -3.060
78 HB2 SER 10 HB2 SER 10 -8.313 -8.702 -1.531
79 HB3 SER 10 HB3 SER 10 -9.095 -7.825 -0.212
80 HG SER 10 HG SER 10 -10.984 -7.787 -1.520
81 H ALA 11 H ALA 11 -8.739 -4.139 -2.586
82 HA ALA 11 HA ALA 11 -10.529 -3.017 -0.725
83 HB1 ALA 11 HB1 ALA 11 -8.922 -1.706 -2.075
84 HB2 ALA 11 HB2 ALA 11 -9.874 -2.062 -3.537
85 HB3 ALA 11 HB3 ALA 11 -10.578 -1.075 -2.243
86 H GLY 12 H GLY 12 -11.176 -4.553 -3.830
87 HA2 GLY 12 HA2 GLY 12 -13.804 -3.735 -4.302
88 HA3 GLY 12 HA3 GLY 12 -13.073 -5.250 -4.834
89 H SER 13 H SER 13 -12.814 -5.615 -1.600
90 HA SER 13 HA SER 13 -15.055 -7.396 -1.426
91 HB2 SER 13 HB2 SER 13 -12.875 -7.712 -0.284
92 HB3 SER 13 HB3 SER 13 -13.233 -6.321 0.748
93 HG SER 13 HG SER 13 -13.822 -8.169 1.852
94 H CYS 14 H CYS 14 -14.647 -3.955 -0.682
95 HA CYS 14 HA CYS 14 -17.504 -3.780 0.093
96 HB2 CYS 14 HB2 CYS 14 -15.100 -2.812 1.697
97 HB3 CYS 14 HB3 CYS 14 -16.625 -1.935 1.705
98 H PHE 15 H PHE 15 -18.434 -1.974 -0.895
99 HA PHE 15 HA PHE 15 -16.625 -0.422 -2.647
100 HB2 PHE 15 HB2 PHE 15 -18.553 -1.012 -3.809
101 HB3 PHE 15 HB3 PHE 15 -19.597 -0.769 -2.416
102 HD1 PHE 15 HD2 PHE 15 -17.045 1.716 -3.763
103 HD2 PHE 15 HD1 PHE 15 -21.209 0.696 -3.244
104 HE1 PHE 15 HE2 PHE 15 -17.707 4.046 -4.264
105 HE2 PHE 15 HE1 PHE 15 -21.837 2.995 -3.802
106 HZ PHE 15 HZ PHE 15 -20.072 4.699 -4.317
107 H ALA 16 H ALA 16 -15.556 1.129 -1.658
108 HA ALA 16 HA ALA 16 -16.959 3.221 -0.255
109 HB1 ALA 16 HB1 ALA 16 -16.380 1.758 1.619
110 HB2 ALA 16 HB2 ALA 16 -14.709 1.643 1.056
111 HB3 ALA 16 HB3 ALA 16 -15.331 3.189 1.656
112 H PHE 17 H PHE 17 -15.153 4.982 0.188
113 HA PHE 17 HA PHE 17 -13.104 4.916 -1.966
114 HB2 PHE 17 HB2 PHE 17 -15.258 6.083 -2.653
115 HB3 PHE 17 HB3 PHE 17 -14.804 7.376 -1.546
116 HD1 PHE 17 HD2 PHE 17 -11.598 6.809 -2.483
117 HD2 PHE 17 HD1 PHE 17 -15.330 7.782 -4.428
118 HE1 PHE 17 HE2 PHE 17 -10.363 7.800 -4.338
119 HE2 PHE 17 HE1 PHE 17 -14.055 8.836 -6.278
120 HZ PHE 17 HZ PHE 17 -11.572 8.851 -6.240
121 H VAL 18 H VAL 18 -11.371 4.764 -0.641
122 HA VAL 18 HA VAL 18 -10.710 7.064 1.035
123 HB VAL 18 HB VAL 18 -9.698 5.449 2.727
124 HG11 VAL 18 HG11 VAL 18 -11.600 6.990 3.138
125 HG12 VAL 18 HG12 VAL 18 -12.737 5.733 2.604
126 HG13 VAL 18 HG13 VAL 18 -11.746 5.487 4.061
127 HG21 VAL 18 HG21 VAL 18 -11.855 3.595 1.618
128 HG22 VAL 18 HG22 VAL 18 -10.103 3.309 1.567
129 HG23 VAL 18 HG23 VAL 18 -10.937 3.349 3.125
130 HA PRO 19 HA PRO 19 -7.615 5.908 -2.117
131 HB2 PRO 19 HB2 PRO 19 -6.298 8.312 -2.296
132 HB3 PRO 19 HB3 PRO 19 -7.851 7.974 -3.119
133 HG2 PRO 19 HG2 PRO 19 -7.432 9.353 -0.441
134 HG3 PRO 19 HG3 PRO 19 -8.419 9.914 -1.818
135 HD2 PRO 19 HD2 PRO 19 -9.493 8.586 0.277
136 HD3 PRO 19 HD3 PRO 19 -10.091 8.268 -1.383
137 H SER 20 H SER 20 -5.874 4.771 -1.527
138 HA SER 20 HA SER 20 -4.189 5.723 0.722
139 HB2 SER 20 HB2 SER 20 -5.560 3.902 1.531
140 HB3 SER 20 HB3 SER 20 -4.992 2.847 0.239
141 HG SER 20 HG SER 20 -3.549 3.837 2.423
142 H TYR 21 H TYR 21 -2.161 3.962 0.573
143 HA TYR 21 HA TYR 21 -0.733 4.570 -1.985
144 HB2 TYR 21 HB2 TYR 21 0.059 4.768 0.898
145 HB3 TYR 21 HB3 TYR 21 1.273 4.249 -0.267
146 HD1 TYR 21 HD2 TYR 21 1.941 5.761 -2.193
147 HD2 TYR 21 HD1 TYR 21 -0.648 7.068 1.012
148 HE1 TYR 21 HE2 TYR 21 2.239 8.097 -2.908
149 HE2 TYR 21 HE1 TYR 21 -0.264 9.414 0.358
150 HH TYR 21 HH TYR 21 1.752 10.351 -2.448
151 H TYR 22 H TYR 22 0.124 2.937 -2.954
152 HA TYR 22 HA TYR 22 -0.012 0.162 -1.887
153 HB2 TYR 22 HB2 TYR 22 -1.237 1.008 -4.023
154 HB3 TYR 22 HB3 TYR 22 0.323 1.293 -4.714
155 HD1 TYR 22 HD1 TYR 22 1.945 -0.715 -4.977
156 HD2 TYR 22 HD2 TYR 22 -2.323 -1.031 -4.438
157 HE1 TYR 22 HE1 TYR 22 2.007 -2.928 -5.972
158 HE2 TYR 22 HE2 TYR 22 -2.274 -3.286 -5.498
159 HH TYR 22 HH TYR 22 -0.827 -5.062 -6.424
160 H TYR 23 H TYR 23 1.945 -1.095 -1.993
161 HA TYR 23 HA TYR 23 4.481 0.427 -2.481
162 HB2 TYR 23 HB2 TYR 23 4.419 -0.488 -0.289
163 HB3 TYR 23 HB3 TYR 23 3.810 -2.027 -0.861
164 HD1 TYR 23 HD1 TYR 23 6.835 0.200 -0.835
165 HD2 TYR 23 HD2 TYR 23 5.266 -3.747 -1.519
166 HE1 TYR 23 HE1 TYR 23 9.135 -0.701 -0.902
167 HE2 TYR 23 HE2 TYR 23 7.559 -4.674 -1.389
168 HH TYR 23 HH TYR 23 10.540 -2.734 -1.215
169 H ASN 24 H ASN 24 5.599 0.043 -4.294
170 HA ASN 24 HA ASN 24 4.959 -2.366 -5.948
171 HB2 ASN 24 HB2 ASN 24 5.992 0.391 -6.748
172 HB3 ASN 24 HB3 ASN 24 5.951 -1.012 -7.816
173 HD21 ASN 24 HD21 ASN 24 4.449 1.614 -7.992
174 HD22 ASN 24 HD22 ASN 24 2.761 1.154 -8.071
175 H GLN 25 H GLN 25 6.472 -3.735 -4.800
176 HA GLN 25 HA GLN 25 9.162 -3.005 -4.274
177 HB2 GLN 25 HB2 GLN 25 9.741 -5.294 -4.046
178 HB3 GLN 25 HB3 GLN 25 8.194 -5.042 -3.301
179 HG2 GLN 25 HG2 GLN 25 8.666 -6.427 -5.948
180 HG3 GLN 25 HG3 GLN 25 8.326 -7.188 -4.409
181 HE21 GLN 25 HE21 GLN 25 6.101 -5.100 -3.662
182 HE22 GLN 25 HE22 GLN 25 4.848 -5.527 -4.796
183 H TYR 26 H TYR 26 7.649 -4.262 -7.247
184 HA TYR 26 HA TYR 26 9.922 -4.849 -8.732
185 HB2 TYR 26 HB2 TYR 26 7.342 -3.572 -9.706
186 HB3 TYR 26 HB3 TYR 26 8.524 -4.394 -10.705
187 HD1 TYR 26 HD2 TYR 26 9.138 -6.919 -9.745
188 HD2 TYR 26 HD1 TYR 26 5.410 -4.795 -9.171
189 HE1 TYR 26 HE2 TYR 26 7.909 -9.088 -9.545
190 HE2 TYR 26 HE1 TYR 26 4.224 -6.922 -8.941
191 HH TYR 26 HH TYR 26 4.388 -9.213 -8.880
192 H SER 27 H SER 27 8.720 -1.689 -7.796
193 HA SER 27 HA SER 27 10.788 -0.453 -9.551
194 HB2 SER 27 HB2 SER 27 8.357 -0.092 -10.188
195 HB3 SER 27 HB3 SER 27 8.221 0.921 -8.746
196 HG SER 27 HG SER 27 10.330 1.318 -10.592
197 H ASN 28 H ASN 28 10.266 -1.367 -6.462
198 HA ASN 28 HA ASN 28 10.958 -0.812 -4.481
199 HB2 ASN 28 HB2 ASN 28 13.074 -0.970 -6.085
200 HB3 ASN 28 HB3 ASN 28 13.251 0.737 -5.696
201 HD21 ASN 28 HD21 ASN 28 14.398 1.075 -3.754
202 HD22 ASN 28 HD22 ASN 28 14.574 -0.088 -2.438
203 H THR 29 H THR 29 8.877 0.747 -5.122
204 HA THR 29 HA THR 29 9.352 3.111 -3.569
205 HB THR 29 HB THR 29 10.055 3.697 -5.942
206 HG1 THR 29 HG1 THR 29 9.644 5.585 -5.405
207 HG21 THR 29 HG21 THR 29 7.071 3.726 -6.551
208 HG22 THR 29 HG22 THR 29 8.234 2.534 -7.178
209 HG23 THR 29 HG23 THR 29 8.396 4.242 -7.601
210 H CYS 30 H CYS 30 6.936 4.415 -3.992
211 HA CYS 30 HA CYS 30 4.829 2.369 -3.694
212 HB2 CYS 30 HB2 CYS 30 5.069 4.808 -1.927
213 HB3 CYS 30 HB3 CYS 30 3.934 3.486 -1.774
214 H HIS 31 H HIS 31 2.690 3.334 -4.151
215 HA HIS 31 HA HIS 31 2.698 6.007 -5.397
216 HB2 HIS 31 HB2 HIS 31 3.424 4.115 -7.064
217 HB3 HIS 31 HB3 HIS 31 1.754 3.571 -6.960
218 HD1 HIS 31 HD1 HIS 31 0.681 4.430 -9.196
219 HD2 HIS 31 HD2 HIS 31 3.427 7.064 -7.395
220 HE1 HIS 31 HE1 HIS 31 0.839 6.436 -10.747
221 H SER 32 H SER 32 0.554 6.933 -5.386
222 HA SER 32 HA SER 32 -1.214 5.747 -3.498
223 HB2 SER 32 HB2 SER 32 -2.760 7.518 -4.260
224 HB3 SER 32 HB3 SER 32 -1.215 8.058 -3.594
225 HG SER 32 HG SER 32 -1.701 7.807 -6.389
226 H PHE 33 H PHE 33 -3.076 4.618 -3.691
227 HA PHE 33 HA PHE 33 -4.172 3.863 -6.326
228 HB2 PHE 33 HB2 PHE 33 -4.159 1.599 -5.969
229 HB3 PHE 33 HB3 PHE 33 -2.570 2.073 -5.417
230 HD1 PHE 33 HD2 PHE 33 -2.413 2.464 -2.764
231 HD2 PHE 33 HD1 PHE 33 -5.527 0.191 -4.654
232 HE1 PHE 33 HE2 PHE 33 -2.877 1.298 -0.610
233 HE2 PHE 33 HE1 PHE 33 -6.062 -0.858 -2.533
234 HZ PHE 33 HZ PHE 33 -4.675 -0.328 -0.427
235 H THR 34 H THR 34 -6.379 2.453 -5.589
236 HA THR 34 HA THR 34 -7.852 4.291 -3.691
237 HB THR 34 HB THR 34 -9.884 3.451 -4.929
238 HG1 THR 34 HG1 THR 34 -8.036 2.748 -6.952
239 HG21 THR 34 HG21 THR 34 -9.636 5.006 -6.809
240 HG22 THR 34 HG22 THR 34 -7.882 5.076 -6.546
241 HG23 THR 34 HG23 THR 34 -8.993 5.702 -5.316
242 H TYR 35 H TYR 35 -8.612 3.484 -1.780
243 HA TYR 35 HA TYR 35 -8.725 0.569 -1.564
244 HB2 TYR 35 HB2 TYR 35 -6.834 1.606 -0.353
245 HB3 TYR 35 HB3 TYR 35 -7.982 2.423 0.681
246 HD1 TYR 35 HD1 TYR 35 -7.066 -1.039 -0.602
247 HD2 TYR 35 HD2 TYR 35 -8.488 1.349 2.711
248 HE1 TYR 35 HE1 TYR 35 -6.576 -2.878 0.939
249 HE2 TYR 35 HE2 TYR 35 -8.189 -0.572 4.215
250 HH TYR 35 HH TYR 35 -6.916 -2.531 4.450
251 H SER 36 H SER 36 -10.195 -0.043 0.438
252 HA SER 36 HA SER 36 -12.581 1.692 0.674
253 HB2 SER 36 HB2 SER 36 -12.430 -1.323 0.259
254 HB3 SER 36 HB3 SER 36 -13.906 -0.422 0.636
255 HG SER 36 HG SER 36 -13.610 -0.763 -1.598
256 H GLY 37 H GLY 37 -13.940 0.764 2.807
257 HA2 GLY 37 HA2 GLY 37 -11.922 0.799 4.943
258 HA3 GLY 37 HA3 GLY 37 -13.644 0.986 5.129
259 H CYS 38 H CYS 38 -14.949 -1.115 4.602
260 HA CYS 38 HA CYS 38 -13.993 -3.113 6.466
261 HB2 CYS 38 HB2 CYS 38 -16.184 -4.186 5.998
262 HB3 CYS 38 HB3 CYS 38 -16.227 -2.558 6.621
263 H GLY 39 H GLY 39 -12.323 -3.032 4.000
264 HA2 GLY 39 HA2 GLY 39 -12.222 -5.906 3.520
265 HA3 GLY 39 HA3 GLY 39 -12.677 -4.917 2.104
266 H GLY 40 H GLY 40 -10.516 -6.011 1.454
267 HA2 GLY 40 HA2 GLY 40 -8.548 -5.163 0.509
268 HA3 GLY 40 HA3 GLY 40 -8.485 -3.914 1.722
269 H ASN 41 H ASN 41 -6.157 -4.792 1.374
270 HA ASN 41 HA ASN 41 -5.614 -6.775 3.484
271 HB2 ASN 41 HB2 ASN 41 -4.177 -6.688 0.797
272 HB3 ASN 41 HB3 ASN 41 -3.752 -7.691 2.163
273 HD21 ASN 41 HD21 ASN 41 -4.839 -9.666 2.541
274 HD22 ASN 41 HD22 ASN 41 -6.179 -10.164 1.552
275 H ALA 42 H ALA 42 -3.327 -6.680 4.214
276 HA ALA 42 HA ALA 42 -2.775 -4.229 5.242
277 HB1 ALA 42 HB1 ALA 42 -0.760 -5.121 6.104
278 HB2 ALA 42 HB2 ALA 42 -1.945 -6.439 6.063
279 HB3 ALA 42 HB3 ALA 42 -0.661 -6.341 4.818
280 H ASN 43 H ASN 43 -1.950 -4.945 1.890
281 HA ASN 43 HA ASN 43 0.363 -3.250 1.753
282 HB2 ASN 43 HB2 ASN 43 -0.168 -4.893 0.075
283 HB3 ASN 43 HB3 ASN 43 -1.623 -3.997 -0.398
284 HD21 ASN 43 HD21 ASN 43 -0.895 -3.688 -2.591
285 HD22 ASN 43 HD22 ASN 43 0.516 -2.743 -2.964
286 H ARG 44 H ARG 44 -2.645 -2.325 2.730
287 HA ARG 44 HA ARG 44 -2.745 0.297 1.354
288 HB2 ARG 44 HB2 ARG 44 -4.865 -0.708 1.827
289 HB3 ARG 44 HB3 ARG 44 -4.451 -1.075 3.490
290 HG2 ARG 44 HG2 ARG 44 -4.161 1.749 3.092
291 HG3 ARG 44 HG3 ARG 44 -5.690 1.331 2.401
292 HD2 ARG 44 HD2 ARG 44 -5.664 2.200 4.696
293 HD3 ARG 44 HD3 ARG 44 -6.342 0.563 4.690
294 HE ARG 44 HE ARG 44 -3.917 -0.127 5.089
295 HH11 ARG 44 HH11 ARG 44 -5.232 2.851 6.473
296 HH12 ARG 44 HH12 ARG 44 -4.068 2.980 7.750
297 HH21 ARG 44 HH21 ARG 44 -2.578 -0.172 6.867
298 HH22 ARG 44 HH22 ARG 44 -2.617 1.048 8.112
299 H PHE 45 H PHE 45 -1.815 2.103 2.230
300 HA PHE 45 HA PHE 45 -0.789 2.047 5.040
301 HB2 PHE 45 HB2 PHE 45 0.611 3.387 2.711
302 HB3 PHE 45 HB3 PHE 45 1.278 3.060 4.301
303 HD1 PHE 45 HD1 PHE 45 0.723 0.190 4.774
304 HD2 PHE 45 HD2 PHE 45 1.700 2.209 1.085
305 HE1 PHE 45 HE1 PHE 45 1.408 -1.965 3.737
306 HE2 PHE 45 HE2 PHE 45 2.411 0.089 0.129
307 HZ PHE 45 HZ PHE 45 2.339 -1.991 1.432
308 H ARG 46 H ARG 46 0.160 4.584 5.169
309 HA ARG 46 HA ARG 46 -2.256 6.294 4.615
310 HB2 ARG 46 HB2 ARG 46 -1.535 7.640 6.682
311 HB3 ARG 46 HB3 ARG 46 -2.484 6.175 6.818
312 HG2 ARG 46 HG2 ARG 46 -0.773 6.391 8.570
313 HG3 ARG 46 HG3 ARG 46 -0.692 4.903 7.664
314 HD2 ARG 46 HD2 ARG 46 1.542 5.682 8.078
315 HD3 ARG 46 HD3 ARG 46 1.254 5.849 6.360
316 HE ARG 46 HE ARG 46 1.166 8.218 6.567
317 HH11 ARG 46 HH11 ARG 46 2.248 6.625 9.619
318 HH12 ARG 46 HH12 ARG 46 2.423 8.157 10.413
319 HH21 ARG 46 HH21 ARG 46 1.378 10.191 7.774
320 HH22 ARG 46 HH22 ARG 46 1.956 10.128 9.397
321 H THR 47 H THR 47 1.208 6.087 4.120
322 HA THR 47 HA THR 47 1.026 8.343 2.413
323 HB THR 47 HB THR 47 1.213 9.484 4.645
324 HG1 THR 47 HG1 THR 47 1.769 10.636 2.892
325 HG21 THR 47 HG21 THR 47 3.288 9.470 5.835
326 HG22 THR 47 HG22 THR 47 4.086 8.586 4.529
327 HG23 THR 47 HG23 THR 47 2.932 7.746 5.512
328 H ILE 48 H ILE 48 3.047 8.666 1.205
329 HA ILE 48 HA ILE 48 4.364 6.172 0.642
330 HB ILE 48 HB ILE 48 4.024 7.668 -1.140
331 HG12 ILE 48 HG12 ILE 48 7.010 7.739 -0.535
332 HG13 ILE 48 HG13 ILE 48 6.142 6.318 -1.051
333 HG21 ILE 48 HG21 ILE 48 5.668 9.813 0.275
334 HG22 ILE 48 HG22 ILE 48 4.967 9.929 -1.342
335 HG23 ILE 48 HG23 ILE 48 3.903 9.855 0.041
336 HD11 ILE 48 HD11 ILE 48 7.127 7.290 -3.019
337 HD12 ILE 48 HD12 ILE 48 5.376 7.513 -3.110
338 HD13 ILE 48 HD13 ILE 48 6.433 8.874 -2.665
339 H ASP 49 H ASP 49 5.082 8.968 2.689
340 HA ASP 49 HA ASP 49 7.876 8.612 3.030
341 HB2 ASP 49 HB2 ASP 49 6.576 10.588 3.715
342 HB3 ASP 49 HB3 ASP 49 5.860 9.638 5.026
343 H GLU 50 H GLU 50 5.079 7.084 4.623
344 HA GLU 50 HA GLU 50 6.632 5.674 6.602
345 HB2 GLU 50 HB2 GLU 50 4.250 6.534 6.883
346 HB3 GLU 50 HB3 GLU 50 3.732 5.324 5.721
347 HG2 GLU 50 HG2 GLU 50 3.320 4.348 7.826
348 HG3 GLU 50 HG3 GLU 50 4.794 3.560 7.273
349 H CYS 51 H CYS 51 4.729 4.929 3.629
350 HA CYS 51 HA CYS 51 5.182 2.209 3.546
351 HB2 CYS 51 HB2 CYS 51 3.559 3.154 2.132
352 HB3 CYS 51 HB3 CYS 51 4.723 4.246 1.363
353 H ASN 52 H ASN 52 7.213 4.797 2.126
354 HA ASN 52 HA ASN 52 9.026 2.897 1.040
355 HB2 ASN 52 HB2 ASN 52 10.115 4.591 0.030
356 HB3 ASN 52 HB3 ASN 52 8.549 5.345 0.265
357 HD21 ASN 52 HD21 ASN 52 8.485 7.235 1.405
358 HD22 ASN 52 HD22 ASN 52 9.941 8.018 2.038
359 H ARG 53 H ARG 53 9.354 5.177 3.814
360 HA ARG 53 HA ARG 53 11.752 4.029 4.627
361 HB2 ARG 53 HB2 ARG 53 11.722 5.353 6.473
362 HB3 ARG 53 HB3 ARG 53 10.603 6.169 5.359
363 HG2 ARG 53 HG2 ARG 53 8.701 5.226 6.631
364 HG3 ARG 53 HG3 ARG 53 9.805 4.482 7.765
365 HD2 ARG 53 HD2 ARG 53 8.740 6.721 8.442
366 HD3 ARG 53 HD3 ARG 53 10.478 6.549 8.697
367 HE ARG 53 HE ARG 53 9.040 8.303 6.843
368 HH11 ARG 53 HH11 ARG 53 12.296 7.173 7.837
369 HH12 ARG 53 HH12 ARG 53 13.101 8.383 6.908
370 HH21 ARG 53 HH21 ARG 53 10.146 10.005 5.817
371 HH22 ARG 53 HH22 ARG 53 11.878 10.109 5.907
372 H THR 54 H THR 54 8.664 2.532 5.117
373 HA THR 54 HA THR 54 9.791 0.655 7.090
374 HB THR 54 HB THR 54 7.529 1.974 7.108
375 HG1 THR 54 HG1 THR 54 6.865 0.733 8.600
376 HG21 THR 54 HG21 THR 54 6.510 -0.590 5.839
377 HG22 THR 54 HG22 THR 54 6.822 0.855 4.869
378 HG23 THR 54 HG23 THR 54 5.648 0.942 6.176
379 H CYS 55 H CYS 55 9.413 0.701 3.596
380 HA CYS 55 HA CYS 55 9.853 -2.230 3.576
381 HB2 CYS 55 HB2 CYS 55 7.907 -0.738 1.774
382 HB3 CYS 55 HB3 CYS 55 8.277 -2.457 1.704
383 H VAL 56 H VAL 56 10.285 0.872 1.858
384 HA VAL 56 HA VAL 56 11.559 -0.305 -0.450
385 HB VAL 56 HB VAL 56 11.337 2.527 0.599
386 HG11 VAL 56 HG11 VAL 56 12.621 1.732 -2.014
387 HG12 VAL 56 HG12 VAL 56 12.257 3.375 -1.451
388 HG13 VAL 56 HG13 VAL 56 13.480 2.411 -0.604
389 HG21 VAL 56 HG21 VAL 56 9.901 2.805 -1.391
390 HG22 VAL 56 HG22 VAL 56 10.244 1.146 -1.902
391 HG23 VAL 56 HG23 VAL 56 9.298 1.449 -0.438
392 H GLY 57 H GLY 57 13.188 -1.488 -0.164
393 HA2 GLY 57 HA2 GLY 57 15.193 -1.234 1.916
394 HA3 GLY 57 HA3 GLY 57 15.055 -2.476 0.666
Start of MODEL 17
1 H1 ARG 1 H ARG 1 12.847 -4.912 2.245
2 HA ARG 1 HA ARG 1 10.626 -4.387 3.056
3 HB2 ARG 1 HB2 ARG 1 9.227 -5.541 1.113
4 HB3 ARG 1 HB3 ARG 1 10.197 -4.165 0.870
5 HG2 ARG 1 HG2 ARG 1 11.251 -6.935 0.231
6 HG3 ARG 1 HG3 ARG 1 10.186 -6.059 -0.832
7 HD2 ARG 1 HD2 ARG 1 12.075 -5.339 -1.792
8 HD3 ARG 1 HD3 ARG 1 11.983 -4.097 -0.563
9 HE ARG 1 HE ARG 1 13.874 -4.900 0.434
10 HH11 ARG 1 HH11 ARG 1 12.771 -7.343 -1.927
11 HH12 ARG 1 HH12 ARG 1 14.276 -8.209 -1.898
12 HH21 ARG 1 HH21 ARG 1 15.824 -6.111 0.471
13 HH22 ARG 1 HH22 ARG 1 15.959 -7.582 -0.470
14 HA PRO 2 HA PRO 2 8.722 -7.848 5.177
15 HB2 PRO 2 HB2 PRO 2 6.488 -6.622 6.138
16 HB3 PRO 2 HB3 PRO 2 8.096 -6.313 6.842
17 HG2 PRO 2 HG2 PRO 2 6.584 -4.680 4.815
18 HG3 PRO 2 HG3 PRO 2 7.444 -4.092 6.255
19 HD2 PRO 2 HD2 PRO 2 8.682 -3.986 3.800
20 HD3 PRO 2 HD3 PRO 2 9.545 -4.414 5.296
21 H ARG 3 H ARG 3 6.669 -9.142 4.804
22 HA ARG 3 HA ARG 3 5.883 -8.889 1.965
23 HB2 ARG 3 HB2 ARG 3 4.534 -10.802 3.881
24 HB3 ARG 3 HB3 ARG 3 4.685 -10.905 2.128
25 HG2 ARG 3 HG2 ARG 3 6.754 -11.235 4.249
26 HG3 ARG 3 HG3 ARG 3 6.138 -12.458 3.077
27 HD2 ARG 3 HD2 ARG 3 7.076 -10.962 1.238
28 HD3 ARG 3 HD3 ARG 3 7.766 -9.948 2.494
29 HE ARG 3 HE ARG 3 8.776 -12.447 1.473
30 HH11 ARG 3 HH11 ARG 3 8.825 -10.536 4.501
31 HH12 ARG 3 HH12 ARG 3 10.537 -10.478 4.572
32 HH21 ARG 3 HH21 ARG 3 10.993 -12.536 1.707
33 HH22 ARG 3 HH22 ARG 3 11.854 -11.855 3.058
34 H PHE 4 H PHE 4 4.658 -8.034 4.905
35 HA PHE 4 HA PHE 4 1.846 -8.076 4.331
36 HB2 PHE 4 HB2 PHE 4 1.398 -6.770 6.125
37 HB3 PHE 4 HB3 PHE 4 2.731 -7.779 6.649
38 HD1 PHE 4 HD2 PHE 4 1.743 -4.332 5.492
39 HD2 PHE 4 HD1 PHE 4 4.649 -6.706 7.636
40 HE1 PHE 4 HE2 PHE 4 2.915 -2.279 6.176
41 HE2 PHE 4 HE1 PHE 4 5.831 -4.645 8.308
42 HZ PHE 4 HZ PHE 4 5.012 -2.421 7.514
43 H CYS 5 H CYS 5 4.388 -5.866 3.347
44 HA CYS 5 HA CYS 5 2.320 -3.876 2.730
45 HB2 CYS 5 HB2 CYS 5 4.144 -2.523 1.725
46 HB3 CYS 5 HB3 CYS 5 4.166 -2.841 3.459
47 H GLU 6 H GLU 6 3.825 -6.457 1.120
48 HA GLU 6 HA GLU 6 3.089 -5.404 -1.578
49 HB2 GLU 6 HB2 GLU 6 4.458 -7.171 -2.480
50 HB3 GLU 6 HB3 GLU 6 5.338 -6.224 -1.254
51 HG2 GLU 6 HG2 GLU 6 5.152 -7.897 0.362
52 HG3 GLU 6 HG3 GLU 6 3.989 -8.856 -0.579
53 H LEU 7 H LEU 7 1.253 -6.637 0.654
54 HA LEU 7 HA LEU 7 0.121 -8.973 -0.592
55 HB2 LEU 7 HB2 LEU 7 -1.081 -7.044 1.432
56 HB3 LEU 7 HB3 LEU 7 -1.756 -8.623 0.978
57 HG LEU 7 HG LEU 7 0.814 -8.045 2.437
58 HD11 LEU 7 HD11 LEU 7 -1.665 -9.596 3.293
59 HD12 LEU 7 HD12 LEU 7 -1.308 -7.910 3.720
60 HD13 LEU 7 HD13 LEU 7 -0.251 -9.204 4.299
61 HD21 LEU 7 HD21 LEU 7 -0.155 -10.808 1.650
62 HD22 LEU 7 HD22 LEU 7 1.238 -10.429 2.700
63 HD23 LEU 7 HD23 LEU 7 1.300 -9.983 1.020
64 H ALA 8 H ALA 8 -2.303 -8.832 -1.091
65 HA ALA 8 HA ALA 8 -2.578 -6.904 -3.358
66 HB1 ALA 8 HB1 ALA 8 -4.372 -8.444 -4.105
67 HB2 ALA 8 HB2 ALA 8 -2.768 -9.198 -4.020
68 HB3 ALA 8 HB3 ALA 8 -3.980 -9.529 -2.747
69 HA PRO 9 HA PRO 9 -5.257 -5.064 -0.171
70 HB2 PRO 9 HB2 PRO 9 -5.835 -2.707 -1.375
71 HB3 PRO 9 HB3 PRO 9 -4.296 -3.044 -0.528
72 HG2 PRO 9 HG2 PRO 9 -4.856 -3.279 -3.510
73 HG3 PRO 9 HG3 PRO 9 -3.490 -2.462 -2.726
74 HD2 PRO 9 HD2 PRO 9 -3.212 -4.963 -3.648
75 HD3 PRO 9 HD3 PRO 9 -2.471 -4.493 -2.101
76 H SER 10 H SER 10 -7.144 -6.296 -0.212
77 HA SER 10 HA SER 10 -8.781 -6.597 -2.528
78 HB2 SER 10 HB2 SER 10 -8.457 -8.342 -0.805
79 HB3 SER 10 HB3 SER 10 -9.294 -7.337 0.378
80 HG SER 10 HG SER 10 -10.501 -8.316 -2.036
81 H ALA 11 H ALA 11 -8.837 -4.178 -2.797
82 HA ALA 11 HA ALA 11 -10.370 -2.417 -1.181
83 HB1 ALA 11 HB1 ALA 11 -9.666 -2.241 -4.125
84 HB2 ALA 11 HB2 ALA 11 -10.119 -0.886 -3.072
85 HB3 ALA 11 HB3 ALA 11 -8.589 -1.758 -2.790
86 H GLY 12 H GLY 12 -11.621 -4.987 -2.823
87 HA2 GLY 12 HA2 GLY 12 -14.074 -3.611 -3.838
88 HA3 GLY 12 HA3 GLY 12 -13.513 -5.228 -4.277
89 H SER 13 H SER 13 -12.975 -5.008 -0.984
90 HA SER 13 HA SER 13 -14.862 -6.910 -0.348
91 HB2 SER 13 HB2 SER 13 -12.708 -6.094 0.857
92 HB3 SER 13 HB3 SER 13 -13.771 -4.955 1.690
93 HG SER 13 HG SER 13 -13.912 -7.788 1.556
94 H CYS 14 H CYS 14 -15.299 -3.392 -0.158
95 HA CYS 14 HA CYS 14 -18.180 -3.703 0.045
96 HB2 CYS 14 HB2 CYS 14 -16.613 -1.993 2.027
97 HB3 CYS 14 HB3 CYS 14 -18.353 -2.011 1.810
98 H PHE 15 H PHE 15 -19.158 -1.530 -0.484
99 HA PHE 15 HA PHE 15 -17.480 -0.222 -2.527
100 HB2 PHE 15 HB2 PHE 15 -19.768 -0.848 -3.087
101 HB3 PHE 15 HB3 PHE 15 -20.379 0.057 -1.722
102 HD1 PHE 15 HD1 PHE 15 -20.160 2.676 -1.740
103 HD2 PHE 15 HD2 PHE 15 -19.322 0.204 -5.179
104 HE1 PHE 15 HE1 PHE 15 -20.140 4.664 -3.178
105 HE2 PHE 15 HE2 PHE 15 -19.533 2.176 -6.633
106 HZ PHE 15 HZ PHE 15 -19.863 4.421 -5.643
107 H ALA 16 H ALA 16 -16.116 1.260 -1.805
108 HA ALA 16 HA ALA 16 -17.066 3.520 -0.282
109 HB1 ALA 16 HB1 ALA 16 -16.386 2.149 1.583
110 HB2 ALA 16 HB2 ALA 16 -14.905 1.646 0.755
111 HB3 ALA 16 HB3 ALA 16 -15.083 3.329 1.330
112 H PHE 17 H PHE 17 -15.321 5.201 -0.274
113 HA PHE 17 HA PHE 17 -13.332 4.878 -2.470
114 HB2 PHE 17 HB2 PHE 17 -15.122 6.075 -3.505
115 HB3 PHE 17 HB3 PHE 17 -15.310 7.139 -2.101
116 HD1 PHE 17 HD2 PHE 17 -12.226 6.090 -4.053
117 HD2 PHE 17 HD1 PHE 17 -14.766 9.351 -2.778
118 HE1 PHE 17 HE2 PHE 17 -10.585 7.712 -4.919
119 HE2 PHE 17 HE1 PHE 17 -13.130 10.957 -3.694
120 HZ PHE 17 HZ PHE 17 -11.021 10.141 -4.745
121 H VAL 18 H VAL 18 -11.550 4.761 -1.108
122 HA VAL 18 HA VAL 18 -10.936 7.179 0.429
123 HB VAL 18 HB VAL 18 -10.003 5.648 2.275
124 HG11 VAL 18 HG11 VAL 18 -13.017 6.046 2.094
125 HG12 VAL 18 HG12 VAL 18 -12.024 5.946 3.558
126 HG13 VAL 18 HG13 VAL 18 -11.854 7.327 2.469
127 HG21 VAL 18 HG21 VAL 18 -12.247 3.821 1.275
128 HG22 VAL 18 HG22 VAL 18 -10.517 3.440 1.256
129 HG23 VAL 18 HG23 VAL 18 -11.355 3.654 2.800
130 HA PRO 19 HA PRO 19 -7.600 5.819 -2.310
131 HB2 PRO 19 HB2 PRO 19 -6.203 8.166 -2.531
132 HB3 PRO 19 HB3 PRO 19 -7.709 7.810 -3.442
133 HG2 PRO 19 HG2 PRO 19 -7.418 9.415 -0.896
134 HG3 PRO 19 HG3 PRO 19 -8.349 9.831 -2.370
135 HD2 PRO 19 HD2 PRO 19 -9.490 8.698 -0.141
136 HD3 PRO 19 HD3 PRO 19 -10.078 8.338 -1.801
137 H SER 20 H SER 20 -5.866 4.747 -1.591
138 HA SER 20 HA SER 20 -4.308 5.773 0.689
139 HB2 SER 20 HB2 SER 20 -5.835 4.298 1.677
140 HB3 SER 20 HB3 SER 20 -5.580 3.075 0.451
141 HG SER 20 HG SER 20 -3.572 3.954 2.268
142 H TYR 21 H TYR 21 -2.267 3.868 0.763
143 HA TYR 21 HA TYR 21 -0.964 4.315 -1.905
144 HB2 TYR 21 HB2 TYR 21 -0.025 4.802 0.868
145 HB3 TYR 21 HB3 TYR 21 1.123 4.013 -0.216
146 HD1 TYR 21 HD1 TYR 21 -0.904 7.045 0.332
147 HD2 TYR 21 HD2 TYR 21 2.203 5.211 -2.052
148 HE1 TYR 21 HE1 TYR 21 -0.433 9.186 -0.709
149 HE2 TYR 21 HE2 TYR 21 2.618 7.353 -3.155
150 HH TYR 21 HH TYR 21 0.758 10.329 -2.418
151 H TYR 22 H TYR 22 -0.013 2.776 -2.927
152 HA TYR 22 HA TYR 22 -0.117 -0.011 -1.912
153 HB2 TYR 22 HB2 TYR 22 -1.256 0.890 -4.131
154 HB3 TYR 22 HB3 TYR 22 0.350 0.979 -4.755
155 HD1 TYR 22 HD1 TYR 22 1.814 -1.216 -4.643
156 HD2 TYR 22 HD2 TYR 22 -2.484 -1.045 -4.399
157 HE1 TYR 22 HE1 TYR 22 1.724 -3.616 -5.127
158 HE2 TYR 22 HE2 TYR 22 -2.591 -3.435 -5.081
159 HH TYR 22 HH TYR 22 0.333 -5.480 -5.131
160 H TYR 23 H TYR 23 1.835 -1.030 -1.515
161 HA TYR 23 HA TYR 23 4.355 0.386 -2.172
162 HB2 TYR 23 HB2 TYR 23 4.205 -0.626 0.033
163 HB3 TYR 23 HB3 TYR 23 3.747 -2.154 -0.682
164 HD1 TYR 23 HD1 TYR 23 6.570 0.306 -1.166
165 HD2 TYR 23 HD2 TYR 23 5.356 -3.808 -0.756
166 HE1 TYR 23 HE1 TYR 23 8.906 -0.407 -1.441
167 HE2 TYR 23 HE2 TYR 23 7.735 -4.522 -0.910
168 HH TYR 23 HH TYR 23 10.315 -2.522 -0.641
169 H ASN 24 H ASN 24 5.510 0.004 -4.018
170 HA ASN 24 HA ASN 24 4.913 -2.488 -5.551
171 HB2 ASN 24 HB2 ASN 24 6.094 0.109 -6.578
172 HB3 ASN 24 HB3 ASN 24 5.874 -1.386 -7.489
173 HD21 ASN 24 HD21 ASN 24 3.344 -2.277 -7.186
174 HD22 ASN 24 HD22 ASN 24 2.193 -0.975 -7.446
175 H GLN 25 H GLN 25 6.259 -3.764 -4.401
176 HA GLN 25 HA GLN 25 8.936 -3.449 -3.729
177 HB2 GLN 25 HB2 GLN 25 8.986 -5.857 -3.528
178 HB3 GLN 25 HB3 GLN 25 7.440 -5.256 -2.955
179 HG2 GLN 25 HG2 GLN 25 7.965 -6.810 -5.490
180 HG3 GLN 25 HG3 GLN 25 7.030 -7.253 -4.061
181 HE21 GLN 25 HE21 GLN 25 4.920 -5.866 -3.700
182 HE22 GLN 25 HE22 GLN 25 4.175 -5.194 -5.135
183 H TYR 26 H TYR 26 7.533 -4.548 -6.875
184 HA TYR 26 HA TYR 26 9.964 -5.239 -8.080
185 HB2 TYR 26 HB2 TYR 26 7.420 -4.148 -9.333
186 HB3 TYR 26 HB3 TYR 26 8.747 -4.852 -10.230
187 HD1 TYR 26 HD2 TYR 26 9.491 -7.326 -8.891
188 HD2 TYR 26 HD1 TYR 26 5.577 -5.577 -9.500
189 HE1 TYR 26 HE2 TYR 26 8.474 -9.567 -8.822
190 HE2 TYR 26 HE1 TYR 26 4.552 -7.795 -9.324
191 HH TYR 26 HH TYR 26 6.538 -10.801 -9.211
192 H SER 27 H SER 27 8.477 -2.121 -7.586
193 HA SER 27 HA SER 27 10.674 -0.882 -9.199
194 HB2 SER 27 HB2 SER 27 8.277 -0.620 -9.897
195 HB3 SER 27 HB3 SER 27 8.030 0.397 -8.478
196 HG SER 27 HG SER 27 10.108 0.855 -10.366
197 H ASN 28 H ASN 28 10.210 -1.669 -6.083
198 HA ASN 28 HA ASN 28 10.850 -0.962 -4.078
199 HB2 ASN 28 HB2 ASN 28 12.993 -1.382 -5.368
200 HB3 ASN 28 HB3 ASN 28 13.072 0.340 -5.719
201 HD21 ASN 28 HD21 ASN 28 12.552 -1.716 -2.736
202 HD22 ASN 28 HD22 ASN 28 13.854 -0.877 -1.891
203 H THR 29 H THR 29 8.782 0.568 -4.913
204 HA THR 29 HA THR 29 9.259 3.086 -3.574
205 HB THR 29 HB THR 29 9.941 3.553 -5.934
206 HG1 THR 29 HG1 THR 29 9.229 5.459 -5.561
207 HG21 THR 29 HG21 THR 29 8.279 3.736 -7.695
208 HG22 THR 29 HG22 THR 29 6.994 3.137 -6.635
209 HG23 THR 29 HG23 THR 29 8.329 2.070 -7.122
210 H CYS 30 H CYS 30 6.858 4.280 -4.161
211 HA CYS 30 HA CYS 30 4.752 2.295 -3.573
212 HB2 CYS 30 HB2 CYS 30 5.903 3.672 -1.505
213 HB3 CYS 30 HB3 CYS 30 4.728 4.870 -2.063
214 H HIS 31 H HIS 31 2.654 3.170 -4.179
215 HA HIS 31 HA HIS 31 2.652 5.796 -5.492
216 HB2 HIS 31 HB2 HIS 31 3.351 3.816 -7.113
217 HB3 HIS 31 HB3 HIS 31 1.642 3.403 -7.055
218 HD1 HIS 31 HD1 HIS 31 1.099 4.167 -9.582
219 HD2 HIS 31 HD2 HIS 31 3.249 6.953 -7.259
220 HE1 HIS 31 HE1 HIS 31 1.252 6.281 -10.970
221 H SER 32 H SER 32 0.519 6.739 -5.487
222 HA SER 32 HA SER 32 -1.188 5.605 -3.501
223 HB2 SER 32 HB2 SER 32 -2.704 7.450 -4.300
224 HB3 SER 32 HB3 SER 32 -1.154 7.933 -3.604
225 HG SER 32 HG SER 32 -1.778 8.938 -5.709
226 H PHE 33 H PHE 33 -3.153 4.590 -3.719
227 HA PHE 33 HA PHE 33 -4.219 3.903 -6.351
228 HB2 PHE 33 HB2 PHE 33 -4.210 1.645 -6.110
229 HB3 PHE 33 HB3 PHE 33 -2.615 2.063 -5.530
230 HD1 PHE 33 HD2 PHE 33 -2.475 2.379 -2.884
231 HD2 PHE 33 HD1 PHE 33 -5.566 0.181 -4.896
232 HE1 PHE 33 HE2 PHE 33 -2.916 1.039 -0.793
233 HE2 PHE 33 HE1 PHE 33 -6.113 -0.978 -2.804
234 HZ PHE 33 HZ PHE 33 -4.700 -0.556 -0.709
235 H THR 34 H THR 34 -6.386 2.443 -5.618
236 HA THR 34 HA THR 34 -7.884 4.265 -3.778
237 HB THR 34 HB THR 34 -9.810 3.171 -5.171
238 HG1 THR 34 HG1 THR 34 -9.272 2.247 -6.944
239 HG21 THR 34 HG21 THR 34 -9.700 5.014 -6.787
240 HG22 THR 34 HG22 THR 34 -7.992 5.294 -6.390
241 HG23 THR 34 HG23 THR 34 -9.257 5.582 -5.172
242 H TYR 35 H TYR 35 -8.674 3.440 -1.844
243 HA TYR 35 HA TYR 35 -8.669 0.517 -1.537
244 HB2 TYR 35 HB2 TYR 35 -6.990 1.693 -0.301
245 HB3 TYR 35 HB3 TYR 35 -8.194 2.643 0.537
246 HD1 TYR 35 HD1 TYR 35 -7.106 -0.903 -0.075
247 HD2 TYR 35 HD2 TYR 35 -8.827 1.951 2.680
248 HE1 TYR 35 HE1 TYR 35 -6.960 -2.556 1.745
249 HE2 TYR 35 HE2 TYR 35 -8.818 0.275 4.442
250 HH TYR 35 HH TYR 35 -8.628 -2.827 4.210
251 H SER 36 H SER 36 -10.225 -0.055 0.585
252 HA SER 36 HA SER 36 -12.780 1.413 0.368
253 HB2 SER 36 HB2 SER 36 -13.898 -0.821 0.653
254 HB3 SER 36 HB3 SER 36 -13.071 -0.620 -0.892
255 HG SER 36 HG SER 36 -12.215 -2.132 1.384
256 H GLY 37 H GLY 37 -13.916 1.570 2.426
257 HA2 GLY 37 HA2 GLY 37 -12.390 1.756 4.736
258 HA3 GLY 37 HA3 GLY 37 -14.155 1.561 4.685
259 H CYS 38 H CYS 38 -14.660 -0.911 3.840
260 HA CYS 38 HA CYS 38 -13.610 -2.561 6.030
261 HB2 CYS 38 HB2 CYS 38 -15.515 -3.715 5.855
262 HB3 CYS 38 HB3 CYS 38 -16.086 -2.340 4.928
263 H GLY 39 H GLY 39 -12.951 -4.779 5.601
264 HA2 GLY 39 HA2 GLY 39 -11.564 -6.347 4.766
265 HA3 GLY 39 HA3 GLY 39 -12.163 -5.899 3.178
266 H GLY 40 H GLY 40 -10.351 -6.155 2.088
267 HA2 GLY 40 HA2 GLY 40 -8.506 -5.214 1.031
268 HA3 GLY 40 HA3 GLY 40 -8.354 -4.038 2.327
269 H ASN 41 H ASN 41 -6.001 -4.756 1.932
270 HA ASN 41 HA ASN 41 -5.343 -6.872 3.907
271 HB2 ASN 41 HB2 ASN 41 -4.271 -6.746 1.070
272 HB3 ASN 41 HB3 ASN 41 -3.256 -7.293 2.369
273 HD21 ASN 41 HD21 ASN 41 -5.468 -8.494 0.154
274 HD22 ASN 41 HD22 ASN 41 -5.869 -9.981 0.977
275 H ALA 42 H ALA 42 -3.020 -6.698 4.554
276 HA ALA 42 HA ALA 42 -2.552 -4.204 5.688
277 HB1 ALA 42 HB1 ALA 42 -1.728 -6.308 6.584
278 HB2 ALA 42 HB2 ALA 42 -0.580 -6.449 5.225
279 HB3 ALA 42 HB3 ALA 42 -0.413 -5.138 6.406
280 H ASN 43 H ASN 43 -1.940 -4.888 2.374
281 HA ASN 43 HA ASN 43 0.447 -3.476 1.867
282 HB2 ASN 43 HB2 ASN 43 -0.323 -4.697 0.085
283 HB3 ASN 43 HB3 ASN 43 -2.019 -4.304 0.381
284 HD21 ASN 43 HD21 ASN 43 0.500 -3.712 -1.778
285 HD22 ASN 43 HD22 ASN 43 -0.385 -2.452 -2.604
286 H ARG 44 H ARG 44 -2.495 -2.203 3.043
287 HA ARG 44 HA ARG 44 -2.535 0.354 1.878
288 HB2 ARG 44 HB2 ARG 44 -4.379 -0.737 3.224
289 HB3 ARG 44 HB3 ARG 44 -3.380 -0.627 4.652
290 HG2 ARG 44 HG2 ARG 44 -3.520 2.058 4.040
291 HG3 ARG 44 HG3 ARG 44 -5.051 1.503 3.387
292 HD2 ARG 44 HD2 ARG 44 -4.083 1.126 6.178
293 HD3 ARG 44 HD3 ARG 44 -5.265 2.317 5.574
294 HE ARG 44 HE ARG 44 -6.081 -0.210 4.681
295 HH11 ARG 44 HH11 ARG 44 -5.729 1.625 7.724
296 HH12 ARG 44 HH12 ARG 44 -7.157 0.966 8.485
297 HH21 ARG 44 HH21 ARG 44 -7.848 -1.322 5.894
298 HH22 ARG 44 HH22 ARG 44 -8.306 -0.741 7.481
299 H PHE 45 H PHE 45 -1.681 2.203 2.291
300 HA PHE 45 HA PHE 45 -0.244 2.854 4.778
301 HB2 PHE 45 HB2 PHE 45 0.862 3.099 1.962
302 HB3 PHE 45 HB3 PHE 45 1.467 4.089 3.294
303 HD1 PHE 45 HD1 PHE 45 2.350 2.905 5.391
304 HD2 PHE 45 HD2 PHE 45 1.589 0.879 1.659
305 HE1 PHE 45 HE1 PHE 45 3.633 0.964 6.189
306 HE2 PHE 45 HE2 PHE 45 2.932 -1.000 2.398
307 HZ PHE 45 HZ PHE 45 4.033 -0.980 4.672
308 H ARG 46 H ARG 46 -0.045 5.179 5.079
309 HA ARG 46 HA ARG 46 -2.298 6.680 3.817
310 HB2 ARG 46 HB2 ARG 46 -1.752 8.319 5.801
311 HB3 ARG 46 HB3 ARG 46 -2.791 6.934 5.986
312 HG2 ARG 46 HG2 ARG 46 -1.255 7.290 7.875
313 HG3 ARG 46 HG3 ARG 46 -1.185 5.685 7.174
314 HD2 ARG 46 HD2 ARG 46 1.013 6.353 7.755
315 HD3 ARG 46 HD3 ARG 46 0.959 6.360 6.015
316 HE ARG 46 HE ARG 46 0.949 8.736 5.961
317 HH11 ARG 46 HH11 ARG 46 2.029 7.248 9.051
318 HH12 ARG 46 HH12 ARG 46 2.434 8.748 9.762
319 HH21 ARG 46 HH21 ARG 46 1.810 10.716 6.901
320 HH22 ARG 46 HH22 ARG 46 2.802 10.532 8.327
321 H THR 47 H THR 47 1.097 6.381 3.689
322 HA THR 47 HA THR 47 1.254 8.495 1.833
323 HB THR 47 HB THR 47 1.461 9.737 4.033
324 HG1 THR 47 HG1 THR 47 2.410 10.701 2.354
325 HG21 THR 47 HG21 THR 47 4.126 8.324 4.216
326 HG22 THR 47 HG22 THR 47 2.758 7.727 5.080
327 HG23 THR 47 HG23 THR 47 3.386 9.375 5.431
328 H ILE 48 H ILE 48 3.320 8.605 0.740
329 HA ILE 48 HA ILE 48 4.517 5.998 0.413
330 HB ILE 48 HB ILE 48 4.322 7.341 -1.519
331 HG12 ILE 48 HG12 ILE 48 7.271 7.374 -0.755
332 HG13 ILE 48 HG13 ILE 48 6.396 5.937 -1.206
333 HG21 ILE 48 HG21 ILE 48 5.973 9.524 -0.174
334 HG22 ILE 48 HG22 ILE 48 5.395 9.545 -1.846
335 HG23 ILE 48 HG23 ILE 48 4.232 9.618 -0.537
336 HD11 ILE 48 HD11 ILE 48 7.546 6.671 -3.164
337 HD12 ILE 48 HD12 ILE 48 5.831 7.044 -3.426
338 HD13 ILE 48 HD13 ILE 48 6.966 8.333 -2.989
339 H ASP 49 H ASP 49 5.169 8.896 2.341
340 HA ASP 49 HA ASP 49 7.917 8.574 2.870
341 HB2 ASP 49 HB2 ASP 49 5.697 9.809 4.524
342 HB3 ASP 49 HB3 ASP 49 7.376 9.782 5.023
343 H GLU 50 H GLU 50 5.093 6.928 4.235
344 HA GLU 50 HA GLU 50 6.619 5.618 6.385
345 HB2 GLU 50 HB2 GLU 50 3.763 5.414 5.353
346 HB3 GLU 50 HB3 GLU 50 4.384 4.400 6.668
347 HG2 GLU 50 HG2 GLU 50 4.765 7.393 6.929
348 HG3 GLU 50 HG3 GLU 50 3.153 6.736 7.043
349 H CYS 51 H CYS 51 4.836 4.813 3.398
350 HA CYS 51 HA CYS 51 5.323 2.100 3.295
351 HB2 CYS 51 HB2 CYS 51 3.768 3.374 1.906
352 HB3 CYS 51 HB3 CYS 51 5.129 4.164 1.099
353 H ASN 52 H ASN 52 7.408 4.767 2.082
354 HA ASN 52 HA ASN 52 9.314 2.926 1.033
355 HB2 ASN 52 HB2 ASN 52 10.470 4.663 0.131
356 HB3 ASN 52 HB3 ASN 52 8.850 5.314 0.168
357 HD21 ASN 52 HD21 ASN 52 8.669 7.313 1.030
358 HD22 ASN 52 HD22 ASN 52 9.955 8.156 1.857
359 H ARG 53 H ARG 53 9.430 5.132 3.855
360 HA ARG 53 HA ARG 53 11.849 4.124 4.786
361 HB2 ARG 53 HB2 ARG 53 11.530 5.253 6.768
362 HB3 ARG 53 HB3 ARG 53 10.486 6.134 5.648
363 HG2 ARG 53 HG2 ARG 53 8.566 4.767 6.574
364 HG3 ARG 53 HG3 ARG 53 9.661 4.147 7.802
365 HD2 ARG 53 HD2 ARG 53 8.890 7.061 7.350
366 HD3 ARG 53 HD3 ARG 53 8.299 6.010 8.654
367 HE ARG 53 HE ARG 53 11.095 6.004 8.853
368 HH11 ARG 53 HH11 ARG 53 8.489 8.426 9.275
369 HH12 ARG 53 HH12 ARG 53 9.553 9.596 9.955
370 HH21 ARG 53 HH21 ARG 53 12.371 7.386 9.920
371 HH22 ARG 53 HH22 ARG 53 11.793 8.848 10.682
372 H THR 54 H THR 54 8.796 2.480 5.016
373 HA THR 54 HA THR 54 9.867 0.486 6.888
374 HB THR 54 HB THR 54 7.616 1.831 6.897
375 HG1 THR 54 HG1 THR 54 6.826 0.491 8.263
376 HG21 THR 54 HG21 THR 54 6.835 0.807 4.686
377 HG22 THR 54 HG22 THR 54 5.739 0.792 6.056
378 HG23 THR 54 HG23 THR 54 6.597 -0.707 5.604
379 H CYS 55 H CYS 55 9.180 0.662 3.365
380 HA CYS 55 HA CYS 55 9.907 -2.233 3.222
381 HB2 CYS 55 HB2 CYS 55 7.819 -0.819 1.526
382 HB3 CYS 55 HB3 CYS 55 8.340 -2.498 1.409
383 H VAL 56 H VAL 56 10.594 0.914 1.994
384 HA VAL 56 HA VAL 56 11.782 -0.177 -0.505
385 HB VAL 56 HB VAL 56 11.522 2.615 0.583
386 HG11 VAL 56 HG11 VAL 56 13.648 2.483 -0.681
387 HG12 VAL 56 HG12 VAL 56 12.719 1.900 -2.084
388 HG13 VAL 56 HG13 VAL 56 12.421 3.519 -1.390
389 HG21 VAL 56 HG21 VAL 56 9.472 1.513 -0.444
390 HG22 VAL 56 HG22 VAL 56 10.045 2.886 -1.400
391 HG23 VAL 56 HG23 VAL 56 10.416 1.225 -1.901
392 H GLY 57 H GLY 57 13.186 -1.644 0.396
393 HA2 GLY 57 HA2 GLY 57 15.772 -1.289 0.622
394 HA3 GLY 57 HA3 GLY 57 15.291 -0.729 2.237
Start of MODEL 18
1 H1 ARG 1 H ARG 1 12.916 -5.159 2.644
2 HA ARG 1 HA ARG 1 10.756 -4.369 3.180
3 HB2 ARG 1 HB2 ARG 1 9.443 -4.904 1.089
4 HB3 ARG 1 HB3 ARG 1 10.998 -4.137 0.931
5 HG2 ARG 1 HG2 ARG 1 11.269 -7.055 0.619
6 HG3 ARG 1 HG3 ARG 1 10.090 -6.362 -0.463
7 HD2 ARG 1 HD2 ARG 1 12.241 -6.360 -1.580
8 HD3 ARG 1 HD3 ARG 1 11.679 -4.729 -1.328
9 HE ARG 1 HE ARG 1 13.443 -4.246 0.036
10 HH11 ARG 1 HH11 ARG 1 13.652 -7.720 -0.803
11 HH12 ARG 1 HH12 ARG 1 15.300 -7.835 -0.243
12 HH21 ARG 1 HH21 ARG 1 15.580 -4.390 0.491
13 HH22 ARG 1 HH22 ARG 1 16.426 -5.923 0.477
14 HA PRO 2 HA PRO 2 8.856 -7.564 5.557
15 HB2 PRO 2 HB2 PRO 2 6.637 -6.255 6.477
16 HB3 PRO 2 HB3 PRO 2 8.284 -5.987 7.119
17 HG2 PRO 2 HG2 PRO 2 6.831 -4.398 5.002
18 HG3 PRO 2 HG3 PRO 2 7.652 -3.782 6.457
19 HD2 PRO 2 HD2 PRO 2 8.966 -3.778 4.075
20 HD3 PRO 2 HD3 PRO 2 9.828 -4.302 5.553
21 H ARG 3 H ARG 3 7.380 -9.122 5.198
22 HA ARG 3 HA ARG 3 6.313 -9.366 2.617
23 HB2 ARG 3 HB2 ARG 3 5.559 -11.465 3.211
24 HB3 ARG 3 HB3 ARG 3 6.998 -11.193 4.167
25 HG2 ARG 3 HG2 ARG 3 5.618 -12.243 5.662
26 HG3 ARG 3 HG3 ARG 3 5.400 -10.552 6.106
27 HD2 ARG 3 HD2 ARG 3 3.354 -11.922 6.152
28 HD3 ARG 3 HD3 ARG 3 3.200 -10.522 5.107
29 HE ARG 3 HE ARG 3 3.862 -12.249 3.235
30 HH11 ARG 3 HH11 ARG 3 1.851 -13.148 6.024
31 HH12 ARG 3 HH12 ARG 3 0.646 -13.928 5.043
32 HH21 ARG 3 HH21 ARG 3 2.488 -13.408 2.049
33 HH22 ARG 3 HH22 ARG 3 1.096 -14.229 2.681
34 H PHE 4 H PHE 4 4.808 -7.820 5.387
35 HA PHE 4 HA PHE 4 2.130 -8.268 4.372
36 HB2 PHE 4 HB2 PHE 4 1.385 -6.835 6.064
37 HB3 PHE 4 HB3 PHE 4 2.736 -7.715 6.744
38 HD1 PHE 4 HD2 PHE 4 1.742 -4.454 5.209
39 HD2 PHE 4 HD1 PHE 4 4.584 -6.561 7.677
40 HE1 PHE 4 HE2 PHE 4 2.740 -2.310 5.906
41 HE2 PHE 4 HE1 PHE 4 5.649 -4.409 8.275
42 HZ PHE 4 HZ PHE 4 4.754 -2.279 7.365
43 H CYS 5 H CYS 5 4.711 -6.070 3.498
44 HA CYS 5 HA CYS 5 3.105 -4.019 2.340
45 HB2 CYS 5 HB2 CYS 5 5.692 -4.389 3.215
46 HB3 CYS 5 HB3 CYS 5 5.948 -4.567 1.497
47 H GLU 6 H GLU 6 4.001 -7.196 1.223
48 HA GLU 6 HA GLU 6 3.706 -6.279 -1.623
49 HB2 GLU 6 HB2 GLU 6 4.877 -8.168 -2.284
50 HB3 GLU 6 HB3 GLU 6 5.699 -7.537 -0.862
51 HG2 GLU 6 HG2 GLU 6 3.875 -9.417 0.199
52 HG3 GLU 6 HG3 GLU 6 4.322 -10.143 -1.328
53 H LEU 7 H LEU 7 1.549 -7.106 0.535
54 HA LEU 7 HA LEU 7 0.146 -9.263 -0.793
55 HB2 LEU 7 HB2 LEU 7 -0.889 -7.357 1.302
56 HB3 LEU 7 HB3 LEU 7 -1.528 -8.964 0.893
57 HG LEU 7 HG LEU 7 1.140 -8.351 2.230
58 HD11 LEU 7 HD11 LEU 7 -1.347 -9.712 3.323
59 HD12 LEU 7 HD12 LEU 7 -0.822 -8.055 3.692
60 HD13 LEU 7 HD13 LEU 7 0.170 -9.441 4.197
61 HD21 LEU 7 HD21 LEU 7 1.370 -10.396 0.888
62 HD22 LEU 7 HD22 LEU 7 -0.046 -11.086 1.740
63 HD23 LEU 7 HD23 LEU 7 1.459 -10.684 2.626
64 H ALA 8 H ALA 8 -2.320 -8.934 -1.301
65 HA ALA 8 HA ALA 8 -2.531 -6.745 -3.282
66 HB1 ALA 8 HB1 ALA 8 -4.425 -8.099 -4.095
67 HB2 ALA 8 HB2 ALA 8 -2.847 -8.917 -4.195
68 HB3 ALA 8 HB3 ALA 8 -4.010 -9.341 -2.915
69 HA PRO 9 HA PRO 9 -5.390 -5.104 -0.095
70 HB2 PRO 9 HB2 PRO 9 -5.256 -2.487 -0.681
71 HB3 PRO 9 HB3 PRO 9 -3.846 -3.347 -0.008
72 HG2 PRO 9 HG2 PRO 9 -4.401 -2.701 -2.930
73 HG3 PRO 9 HG3 PRO 9 -2.890 -2.442 -2.005
74 HD2 PRO 9 HD2 PRO 9 -3.428 -4.670 -3.589
75 HD3 PRO 9 HD3 PRO 9 -2.304 -4.694 -2.208
76 H SER 10 H SER 10 -6.925 -6.481 -1.346
77 HA SER 10 HA SER 10 -8.480 -5.594 -3.507
78 HB2 SER 10 HB2 SER 10 -8.512 -7.930 -2.593
79 HB3 SER 10 HB3 SER 10 -9.467 -7.360 -1.224
80 HG SER 10 HG SER 10 -10.229 -8.040 -3.699
81 H ALA 11 H ALA 11 -9.477 -3.664 -3.546
82 HA ALA 11 HA ALA 11 -10.481 -2.410 -1.118
83 HB1 ALA 11 HB1 ALA 11 -9.512 -1.076 -2.946
84 HB2 ALA 11 HB2 ALA 11 -10.851 -1.595 -4.006
85 HB3 ALA 11 HB3 ALA 11 -11.182 -0.589 -2.586
86 H GLY 12 H GLY 12 -11.752 -4.683 -3.354
87 HA2 GLY 12 HA2 GLY 12 -14.509 -3.940 -3.235
88 HA3 GLY 12 HA3 GLY 12 -13.862 -5.510 -3.692
89 H SER 13 H SER 13 -12.619 -5.143 -0.639
90 HA SER 13 HA SER 13 -14.308 -7.037 0.493
91 HB2 SER 13 HB2 SER 13 -12.512 -5.002 1.846
92 HB3 SER 13 HB3 SER 13 -13.226 -6.412 2.642
93 HG SER 13 HG SER 13 -11.260 -7.061 1.976
94 H CYS 14 H CYS 14 -14.755 -3.506 0.519
95 HA CYS 14 HA CYS 14 -17.481 -3.708 1.499
96 HB2 CYS 14 HB2 CYS 14 -15.296 -2.213 2.994
97 HB3 CYS 14 HB3 CYS 14 -17.013 -1.929 3.210
98 H PHE 15 H PHE 15 -18.608 -1.814 0.616
99 HA PHE 15 HA PHE 15 -16.995 -0.498 -1.457
100 HB2 PHE 15 HB2 PHE 15 -19.235 -1.400 -1.894
101 HB3 PHE 15 HB3 PHE 15 -19.915 -0.310 -0.712
102 HD1 PHE 15 HD1 PHE 15 -19.634 2.349 -1.224
103 HD2 PHE 15 HD2 PHE 15 -19.087 -0.787 -4.136
104 HE1 PHE 15 HE1 PHE 15 -19.832 3.978 -3.008
105 HE2 PHE 15 HE2 PHE 15 -19.495 0.855 -5.951
106 HZ PHE 15 HZ PHE 15 -19.846 3.251 -5.400
107 H ALA 16 H ALA 16 -15.751 1.125 -0.837
108 HA ALA 16 HA ALA 16 -16.922 3.544 0.248
109 HB1 ALA 16 HB1 ALA 16 -15.239 3.815 2.022
110 HB2 ALA 16 HB2 ALA 16 -16.266 2.409 2.332
111 HB3 ALA 16 HB3 ALA 16 -14.634 2.170 1.725
112 H PHE 17 H PHE 17 -15.261 5.361 -0.003
113 HA PHE 17 HA PHE 17 -13.137 4.661 -1.980
114 HB2 PHE 17 HB2 PHE 17 -15.151 5.585 -3.060
115 HB3 PHE 17 HB3 PHE 17 -14.950 7.068 -2.121
116 HD1 PHE 17 HD2 PHE 17 -11.683 5.759 -3.164
117 HD2 PHE 17 HD1 PHE 17 -15.149 7.942 -4.578
118 HE1 PHE 17 HE2 PHE 17 -10.326 6.826 -4.887
119 HE2 PHE 17 HE1 PHE 17 -13.744 8.927 -6.380
120 HZ PHE 17 HZ PHE 17 -11.327 8.389 -6.510
121 H VAL 18 H VAL 18 -11.339 4.891 -0.810
122 HA VAL 18 HA VAL 18 -10.721 7.516 0.351
123 HB VAL 18 HB VAL 18 -9.592 6.288 2.272
124 HG11 VAL 18 HG11 VAL 18 -12.647 6.323 2.188
125 HG12 VAL 18 HG12 VAL 18 -11.611 6.467 3.630
126 HG13 VAL 18 HG13 VAL 18 -11.626 7.755 2.415
127 HG21 VAL 18 HG21 VAL 18 -10.660 4.211 3.068
128 HG22 VAL 18 HG22 VAL 18 -11.659 4.145 1.609
129 HG23 VAL 18 HG23 VAL 18 -9.899 3.930 1.498
130 HA PRO 19 HA PRO 19 -7.522 6.096 -2.575
131 HB2 PRO 19 HB2 PRO 19 -6.197 8.480 -2.898
132 HB3 PRO 19 HB3 PRO 19 -7.693 8.037 -3.776
133 HG2 PRO 19 HG2 PRO 19 -7.435 9.719 -1.272
134 HG3 PRO 19 HG3 PRO 19 -8.391 10.049 -2.744
135 HD2 PRO 19 HD2 PRO 19 -9.527 8.984 -0.528
136 HD3 PRO 19 HD3 PRO 19 -10.023 8.430 -2.155
137 H SER 20 H SER 20 -5.993 4.878 -1.659
138 HA SER 20 HA SER 20 -4.383 5.998 0.561
139 HB2 SER 20 HB2 SER 20 -5.227 3.111 0.348
140 HB3 SER 20 HB3 SER 20 -4.397 3.924 1.675
141 HG SER 20 HG SER 20 -7.003 4.543 0.727
142 H TYR 21 H TYR 21 -2.242 4.143 0.661
143 HA TYR 21 HA TYR 21 -1.034 4.502 -2.060
144 HB2 TYR 21 HB2 TYR 21 -0.024 4.953 0.697
145 HB3 TYR 21 HB3 TYR 21 1.101 4.315 -0.461
146 HD1 TYR 21 HD2 TYR 21 1.874 5.606 -2.489
147 HD2 TYR 21 HD1 TYR 21 -0.665 7.244 0.622
148 HE1 TYR 21 HE2 TYR 21 2.296 7.885 -3.319
149 HE2 TYR 21 HE1 TYR 21 -0.104 9.505 -0.105
150 HH TYR 21 HH TYR 21 1.556 10.748 -1.456
151 H TYR 22 H TYR 22 0.029 2.928 -3.024
152 HA TYR 22 HA TYR 22 -0.086 0.139 -2.025
153 HB2 TYR 22 HB2 TYR 22 -1.292 1.072 -4.253
154 HB3 TYR 22 HB3 TYR 22 0.324 1.106 -4.888
155 HD1 TYR 22 HD1 TYR 22 1.686 -1.117 -4.936
156 HD2 TYR 22 HD2 TYR 22 -2.583 -0.861 -4.404
157 HE1 TYR 22 HE1 TYR 22 1.531 -3.494 -5.388
158 HE2 TYR 22 HE2 TYR 22 -2.786 -3.243 -5.047
159 HH TYR 22 HH TYR 22 0.067 -5.384 -5.278
160 H TYR 23 H TYR 23 1.864 -1.102 -2.363
161 HA TYR 23 HA TYR 23 4.401 0.434 -2.861
162 HB2 TYR 23 HB2 TYR 23 4.326 -0.257 -0.600
163 HB3 TYR 23 HB3 TYR 23 3.755 -1.861 -1.034
164 HD1 TYR 23 HD1 TYR 23 6.788 0.366 -1.451
165 HD2 TYR 23 HD2 TYR 23 5.236 -3.638 -1.242
166 HE1 TYR 23 HE1 TYR 23 9.084 -0.525 -1.327
167 HE2 TYR 23 HE2 TYR 23 7.521 -4.520 -0.956
168 HH TYR 23 HH TYR 23 10.401 -2.530 -0.806
169 H ASN 24 H ASN 24 5.676 -0.170 -4.527
170 HA ASN 24 HA ASN 24 5.147 -2.756 -5.920
171 HB2 ASN 24 HB2 ASN 24 5.878 -0.052 -7.103
172 HB3 ASN 24 HB3 ASN 24 5.961 -1.586 -7.969
173 HD21 ASN 24 HD21 ASN 24 4.465 0.420 -9.046
174 HD22 ASN 24 HD22 ASN 24 2.752 0.005 -8.943
175 H GLN 25 H GLN 25 6.750 -3.786 -4.712
176 HA GLN 25 HA GLN 25 9.346 -2.839 -4.182
177 HB2 GLN 25 HB2 GLN 25 9.906 -5.002 -3.483
178 HB3 GLN 25 HB3 GLN 25 8.238 -4.753 -3.038
179 HG2 GLN 25 HG2 GLN 25 9.260 -6.515 -5.251
180 HG3 GLN 25 HG3 GLN 25 8.564 -7.006 -3.716
181 HE21 GLN 25 HE21 GLN 25 6.104 -5.238 -3.705
182 HE22 GLN 25 HE22 GLN 25 5.205 -5.714 -5.106
183 H TYR 26 H TYR 26 7.993 -4.341 -7.090
184 HA TYR 26 HA TYR 26 10.281 -5.138 -8.439
185 HB2 TYR 26 HB2 TYR 26 7.940 -3.643 -9.676
186 HB3 TYR 26 HB3 TYR 26 9.015 -4.766 -10.489
187 HD1 TYR 26 HD2 TYR 26 9.033 -7.243 -9.397
188 HD2 TYR 26 HD1 TYR 26 5.817 -4.382 -9.046
189 HE1 TYR 26 HE2 TYR 26 7.411 -9.098 -9.061
190 HE2 TYR 26 HE1 TYR 26 4.236 -6.211 -8.612
191 HH TYR 26 HH TYR 26 5.162 -9.674 -8.704
192 H SER 27 H SER 27 8.851 -1.947 -8.090
193 HA SER 27 HA SER 27 11.063 -0.650 -9.595
194 HB2 SER 27 HB2 SER 27 8.661 -0.399 -10.295
195 HB3 SER 27 HB3 SER 27 8.342 0.415 -8.765
196 HG SER 27 HG SER 27 8.756 1.742 -10.657
197 H ASN 28 H ASN 28 10.650 -1.551 -6.491
198 HA ASN 28 HA ASN 28 11.191 -0.771 -4.445
199 HB2 ASN 28 HB2 ASN 28 13.413 -1.029 -5.457
200 HB3 ASN 28 HB3 ASN 28 13.306 0.558 -6.207
201 HD21 ASN 28 HD21 ASN 28 13.240 -0.907 -2.840
202 HD22 ASN 28 HD22 ASN 28 14.202 0.427 -2.215
203 H THR 29 H THR 29 8.942 0.555 -5.365
204 HA THR 29 HA THR 29 9.221 3.051 -3.923
205 HB THR 29 HB THR 29 9.924 3.598 -6.293
206 HG1 THR 29 HG1 THR 29 9.212 5.488 -5.896
207 HG21 THR 29 HG21 THR 29 8.165 3.966 -7.967
208 HG22 THR 29 HG22 THR 29 6.962 3.196 -6.937
209 HG23 THR 29 HG23 THR 29 8.320 2.247 -7.574
210 H CYS 30 H CYS 30 6.871 4.185 -4.507
211 HA CYS 30 HA CYS 30 4.732 2.202 -4.009
212 HB2 CYS 30 HB2 CYS 30 5.255 4.758 -2.463
213 HB3 CYS 30 HB3 CYS 30 3.875 3.721 -2.239
214 H HIS 31 H HIS 31 2.588 3.306 -4.293
215 HA HIS 31 HA HIS 31 2.617 5.866 -5.696
216 HB2 HIS 31 HB2 HIS 31 3.119 3.868 -7.338
217 HB3 HIS 31 HB3 HIS 31 1.433 3.441 -7.098
218 HD1 HIS 31 HD1 HIS 31 -0.088 4.657 -8.946
219 HD2 HIS 31 HD2 HIS 31 3.395 6.706 -7.764
220 HE1 HIS 31 HE1 HIS 31 -0.035 6.795 -10.328
221 H SER 32 H SER 32 0.540 6.818 -5.695
222 HA SER 32 HA SER 32 -1.230 5.840 -3.662
223 HB2 SER 32 HB2 SER 32 -2.689 7.602 -4.354
224 HB3 SER 32 HB3 SER 32 -1.040 8.214 -4.174
225 HG SER 32 HG SER 32 -0.812 8.389 -6.378
226 H PHE 33 H PHE 33 -3.236 4.778 -3.841
227 HA PHE 33 HA PHE 33 -4.251 3.975 -6.466
228 HB2 PHE 33 HB2 PHE 33 -4.274 1.705 -6.178
229 HB3 PHE 33 HB3 PHE 33 -2.672 2.134 -5.628
230 HD1 PHE 33 HD2 PHE 33 -2.499 2.502 -2.984
231 HD2 PHE 33 HD1 PHE 33 -5.585 0.223 -4.912
232 HE1 PHE 33 HE2 PHE 33 -3.048 1.369 -0.812
233 HE2 PHE 33 HE1 PHE 33 -6.127 -0.871 -2.762
234 HZ PHE 33 HZ PHE 33 -4.813 -0.237 -0.682
235 H THR 34 H THR 34 -6.440 2.573 -5.767
236 HA THR 34 HA THR 34 -7.848 4.456 -3.881
237 HB THR 34 HB THR 34 -9.905 3.867 -5.101
238 HG1 THR 34 HG1 THR 34 -9.806 2.289 -6.375
239 HG21 THR 34 HG21 THR 34 -8.500 5.893 -5.601
240 HG22 THR 34 HG22 THR 34 -9.465 5.326 -6.980
241 HG23 THR 34 HG23 THR 34 -7.722 5.005 -6.905
242 H TYR 35 H TYR 35 -8.767 3.714 -1.980
243 HA TYR 35 HA TYR 35 -9.030 0.811 -1.728
244 HB2 TYR 35 HB2 TYR 35 -6.945 1.506 -0.800
245 HB3 TYR 35 HB3 TYR 35 -7.755 2.659 0.256
246 HD1 TYR 35 HD1 TYR 35 -7.076 -0.975 -0.500
247 HD2 TYR 35 HD2 TYR 35 -8.586 1.902 2.381
248 HE1 TYR 35 HE1 TYR 35 -6.662 -2.572 1.341
249 HE2 TYR 35 HE2 TYR 35 -8.250 0.276 4.184
250 HH TYR 35 HH TYR 35 -7.543 -1.957 4.714
251 H SER 36 H SER 36 -10.257 0.387 0.471
252 HA SER 36 HA SER 36 -12.487 2.251 0.993
253 HB2 SER 36 HB2 SER 36 -12.674 -0.749 0.488
254 HB3 SER 36 HB3 SER 36 -14.020 0.360 0.734
255 HG SER 36 HG SER 36 -13.485 1.367 -1.244
256 H GLY 37 H GLY 37 -13.240 2.072 3.249
257 HA2 GLY 37 HA2 GLY 37 -11.776 1.831 5.334
258 HA3 GLY 37 HA3 GLY 37 -13.421 1.232 5.374
259 H CYS 38 H CYS 38 -13.552 -1.191 4.583
260 HA CYS 38 HA CYS 38 -12.214 -2.833 6.457
261 HB2 CYS 38 HB2 CYS 38 -13.565 -3.693 3.877
262 HB3 CYS 38 HB3 CYS 38 -13.202 -4.727 5.256
263 H GLY 39 H GLY 39 -11.822 -3.121 2.896
264 HA2 GLY 39 HA2 GLY 39 -10.127 -3.662 1.565
265 HA3 GLY 39 HA3 GLY 39 -8.992 -3.296 2.875
266 H GLY 40 H GLY 40 -8.608 -5.114 0.917
267 HA2 GLY 40 HA2 GLY 40 -9.181 -7.825 1.729
268 HA3 GLY 40 HA3 GLY 40 -8.175 -7.287 0.388
269 H ASN 41 H ASN 41 -6.065 -5.927 1.479
270 HA ASN 41 HA ASN 41 -4.994 -7.528 3.699
271 HB2 ASN 41 HB2 ASN 41 -3.669 -7.361 0.961
272 HB3 ASN 41 HB3 ASN 41 -2.867 -7.895 2.413
273 HD21 ASN 41 HD21 ASN 41 -3.881 -9.795 3.629
274 HD22 ASN 41 HD22 ASN 41 -4.384 -11.124 2.592
275 H ALA 42 H ALA 42 -2.953 -6.956 4.417
276 HA ALA 42 HA ALA 42 -2.783 -4.392 5.329
277 HB1 ALA 42 HB1 ALA 42 -0.661 -5.082 6.280
278 HB2 ALA 42 HB2 ALA 42 -1.792 -6.456 6.325
279 HB3 ALA 42 HB3 ALA 42 -0.507 -6.376 5.082
280 H ASN 43 H ASN 43 -1.815 -5.142 2.136
281 HA ASN 43 HA ASN 43 0.541 -3.508 1.945
282 HB2 ASN 43 HB2 ASN 43 0.014 -5.114 0.233
283 HB3 ASN 43 HB3 ASN 43 -1.502 -4.284 -0.159
284 HD21 ASN 43 HD21 ASN 43 -0.964 -3.713 -2.443
285 HD22 ASN 43 HD22 ASN 43 0.444 -2.755 -2.750
286 H ARG 44 H ARG 44 -2.710 -2.573 2.589
287 HA ARG 44 HA ARG 44 -2.491 -0.020 1.139
288 HB2 ARG 44 HB2 ARG 44 -4.645 -0.850 1.652
289 HB3 ARG 44 HB3 ARG 44 -4.335 -0.912 3.387
290 HG2 ARG 44 HG2 ARG 44 -4.031 1.729 1.948
291 HG3 ARG 44 HG3 ARG 44 -5.641 1.137 2.171
292 HD2 ARG 44 HD2 ARG 44 -3.675 1.748 4.393
293 HD3 ARG 44 HD3 ARG 44 -5.092 2.694 3.939
294 HE ARG 44 HE ARG 44 -5.814 -0.011 4.567
295 HH11 ARG 44 HH11 ARG 44 -4.635 2.877 6.287
296 HH12 ARG 44 HH12 ARG 44 -5.617 2.615 7.677
297 HH21 ARG 44 HH21 ARG 44 -7.090 -0.394 6.536
298 HH22 ARG 44 HH22 ARG 44 -6.936 0.739 7.831
299 H PHE 45 H PHE 45 -1.432 1.770 1.674
300 HA PHE 45 HA PHE 45 -0.543 2.223 4.478
301 HB2 PHE 45 HB2 PHE 45 0.916 2.423 1.875
302 HB3 PHE 45 HB3 PHE 45 1.152 3.771 2.972
303 HD1 PHE 45 HD2 PHE 45 1.391 0.083 2.700
304 HD2 PHE 45 HD1 PHE 45 2.388 3.550 5.052
305 HE1 PHE 45 HE2 PHE 45 2.905 -1.285 4.039
306 HE2 PHE 45 HE1 PHE 45 3.802 2.129 6.522
307 HZ PHE 45 HZ PHE 45 4.041 -0.294 6.040
308 H ARG 46 H ARG 46 -0.201 4.594 4.904
309 HA ARG 46 HA ARG 46 -2.496 6.151 3.826
310 HB2 ARG 46 HB2 ARG 46 -2.242 7.434 6.011
311 HB3 ARG 46 HB3 ARG 46 -2.939 5.832 6.049
312 HG2 ARG 46 HG2 ARG 46 -1.461 6.275 7.952
313 HG3 ARG 46 HG3 ARG 46 -0.995 4.855 7.039
314 HD2 ARG 46 HD2 ARG 46 0.930 6.127 7.815
315 HD3 ARG 46 HD3 ARG 46 0.894 6.035 6.064
316 HE ARG 46 HE ARG 46 0.287 8.330 5.899
317 HH11 ARG 46 HH11 ARG 46 1.406 7.385 9.180
318 HH12 ARG 46 HH12 ARG 46 1.835 8.996 9.570
319 HH21 ARG 46 HH21 ARG 46 0.412 10.480 6.647
320 HH22 ARG 46 HH22 ARG 46 1.219 10.798 8.123
321 H THR 47 H THR 47 0.922 6.031 3.689
322 HA THR 47 HA THR 47 0.937 8.427 2.219
323 HB THR 47 HB THR 47 1.042 9.380 4.568
324 HG1 THR 47 HG1 THR 47 2.662 10.794 4.059
325 HG21 THR 47 HG21 THR 47 2.594 7.482 5.439
326 HG22 THR 47 HG22 THR 47 3.026 9.156 5.894
327 HG23 THR 47 HG23 THR 47 3.871 8.323 4.597
328 H ILE 48 H ILE 48 2.855 8.652 1.018
329 HA ILE 48 HA ILE 48 4.143 6.190 0.556
330 HB ILE 48 HB ILE 48 3.905 7.539 -1.328
331 HG12 ILE 48 HG12 ILE 48 6.856 7.663 -0.557
332 HG13 ILE 48 HG13 ILE 48 6.017 6.271 -1.161
333 HG21 ILE 48 HG21 ILE 48 3.636 9.762 -0.276
334 HG22 ILE 48 HG22 ILE 48 5.373 9.804 0.083
335 HG23 ILE 48 HG23 ILE 48 4.791 9.831 -1.589
336 HD11 ILE 48 HD11 ILE 48 7.199 7.237 -2.999
337 HD12 ILE 48 HD12 ILE 48 5.466 7.491 -3.279
338 HD13 ILE 48 HD13 ILE 48 6.491 8.833 -2.713
339 H ASP 49 H ASP 49 4.780 8.922 2.658
340 HA ASP 49 HA ASP 49 7.579 8.591 3.005
341 HB2 ASP 49 HB2 ASP 49 5.544 9.721 4.947
342 HB3 ASP 49 HB3 ASP 49 7.297 9.789 5.121
343 H GLU 50 H GLU 50 4.848 6.856 4.471
344 HA GLU 50 HA GLU 50 6.621 5.561 6.430
345 HB2 GLU 50 HB2 GLU 50 3.628 5.440 5.941
346 HB3 GLU 50 HB3 GLU 50 4.470 4.444 7.125
347 HG2 GLU 50 HG2 GLU 50 4.416 7.491 7.118
348 HG3 GLU 50 HG3 GLU 50 3.471 6.447 8.173
349 H CYS 51 H CYS 51 4.770 4.848 3.429
350 HA CYS 51 HA CYS 51 5.208 2.047 3.517
351 HB2 CYS 51 HB2 CYS 51 4.383 2.021 1.282
352 HB3 CYS 51 HB3 CYS 51 3.622 3.441 1.988
353 H ASN 52 H ASN 52 7.104 4.762 2.158
354 HA ASN 52 HA ASN 52 9.030 3.031 1.003
355 HB2 ASN 52 HB2 ASN 52 10.040 4.825 0.046
356 HB3 ASN 52 HB3 ASN 52 8.422 5.447 0.267
357 HD21 ASN 52 HD21 ASN 52 8.294 7.406 1.223
358 HD22 ASN 52 HD22 ASN 52 9.623 8.235 2.005
359 H ARG 53 H ARG 53 9.198 5.189 3.849
360 HA ARG 53 HA ARG 53 11.685 4.227 4.641
361 HB2 ARG 53 HB2 ARG 53 11.421 5.259 6.703
362 HB3 ARG 53 HB3 ARG 53 10.306 6.148 5.649
363 HG2 ARG 53 HG2 ARG 53 8.486 4.569 6.514
364 HG3 ARG 53 HG3 ARG 53 9.631 4.036 7.745
365 HD2 ARG 53 HD2 ARG 53 8.646 6.890 7.329
366 HD3 ARG 53 HD3 ARG 53 8.130 5.754 8.590
367 HE ARG 53 HE ARG 53 10.919 5.960 8.759
368 HH11 ARG 53 HH11 ARG 53 7.925 7.714 9.576
369 HH12 ARG 53 HH12 ARG 53 8.733 8.705 10.775
370 HH21 ARG 53 HH21 ARG 53 11.948 7.335 10.177
371 HH22 ARG 53 HH22 ARG 53 11.062 8.321 11.285
372 H THR 54 H THR 54 8.686 2.379 4.975
373 HA THR 54 HA THR 54 10.062 0.472 6.771
374 HB THR 54 HB THR 54 7.795 1.492 7.210
375 HG1 THR 54 HG1 THR 54 8.493 -0.216 8.427
376 HG21 THR 54 HG21 THR 54 6.968 0.738 4.771
377 HG22 THR 54 HG22 THR 54 5.916 0.850 6.169
378 HG23 THR 54 HG23 THR 54 6.536 -0.742 5.652
379 H CYS 55 H CYS 55 9.309 0.689 3.319
380 HA CYS 55 HA CYS 55 10.187 -2.159 3.092
381 HB2 CYS 55 HB2 CYS 55 8.027 -0.912 1.384
382 HB3 CYS 55 HB3 CYS 55 8.484 -2.613 1.494
383 H VAL 56 H VAL 56 10.357 1.073 1.734
384 HA VAL 56 HA VAL 56 11.455 0.111 -0.825
385 HB VAL 56 HB VAL 56 11.108 2.860 0.363
386 HG11 VAL 56 HG11 VAL 56 13.157 3.038 -0.910
387 HG12 VAL 56 HG12 VAL 56 12.393 2.228 -2.293
388 HG13 VAL 56 HG13 VAL 56 11.831 3.827 -1.749
389 HG21 VAL 56 HG21 VAL 56 9.523 3.110 -1.526
390 HG22 VAL 56 HG22 VAL 56 9.973 1.510 -2.141
391 HG23 VAL 56 HG23 VAL 56 9.093 1.659 -0.615
392 H GLY 57 H GLY 57 13.208 -1.080 -0.535
393 HA2 GLY 57 HA2 GLY 57 15.683 -0.260 -0.423
394 HA3 GLY 57 HA3 GLY 57 15.328 -0.260 1.334
Start of MODEL 19
1 H1 ARG 1 H ARG 1 12.803 -4.909 2.586
2 HA ARG 1 HA ARG 1 10.491 -4.214 3.102
3 HB2 ARG 1 HB2 ARG 1 9.388 -5.263 1.053
4 HB3 ARG 1 HB3 ARG 1 10.746 -4.200 0.826
5 HG2 ARG 1 HG2 ARG 1 11.230 -7.183 0.842
6 HG3 ARG 1 HG3 ARG 1 10.528 -6.416 -0.562
7 HD2 ARG 1 HD2 ARG 1 13.138 -5.372 0.582
8 HD3 ARG 1 HD3 ARG 1 13.087 -6.687 -0.558
9 HE ARG 1 HE ARG 1 12.578 -3.873 -1.061
10 HH11 ARG 1 HH11 ARG 1 12.379 -7.178 -2.436
11 HH12 ARG 1 HH12 ARG 1 12.472 -6.583 -4.067
12 HH21 ARG 1 HH21 ARG 1 12.957 -3.232 -3.122
13 HH22 ARG 1 HH22 ARG 1 12.693 -4.270 -4.488
14 HA PRO 2 HA PRO 2 8.750 -7.537 5.609
15 HB2 PRO 2 HB2 PRO 2 6.531 -6.208 6.499
16 HB3 PRO 2 HB3 PRO 2 8.159 -5.885 7.153
17 HG2 PRO 2 HG2 PRO 2 6.679 -4.399 5.001
18 HG3 PRO 2 HG3 PRO 2 7.518 -3.688 6.414
19 HD2 PRO 2 HD2 PRO 2 8.788 -3.758 4.025
20 HD3 PRO 2 HD3 PRO 2 9.662 -4.169 5.518
21 H ARG 3 H ARG 3 7.316 -9.132 5.071
22 HA ARG 3 HA ARG 3 6.215 -9.058 2.469
23 HB2 ARG 3 HB2 ARG 3 5.577 -11.269 2.740
24 HB3 ARG 3 HB3 ARG 3 7.011 -11.073 3.720
25 HG2 ARG 3 HG2 ARG 3 5.777 -12.241 5.220
26 HG3 ARG 3 HG3 ARG 3 5.192 -10.632 5.663
27 HD2 ARG 3 HD2 ARG 3 3.218 -10.994 4.124
28 HD3 ARG 3 HD3 ARG 3 3.865 -12.609 3.771
29 HE ARG 3 HE ARG 3 3.488 -12.000 6.607
30 HH11 ARG 3 HH11 ARG 3 1.857 -13.353 3.690
31 HH12 ARG 3 HH12 ARG 3 0.816 -14.336 4.669
32 HH21 ARG 3 HH21 ARG 3 2.094 -13.324 7.782
33 HH22 ARG 3 HH22 ARG 3 1.281 -14.626 6.993
34 H PHE 4 H PHE 4 4.871 -7.680 5.327
35 HA PHE 4 HA PHE 4 2.117 -8.139 4.556
36 HB2 PHE 4 HB2 PHE 4 1.466 -6.770 6.266
37 HB3 PHE 4 HB3 PHE 4 2.896 -7.550 6.886
38 HD1 PHE 4 HD2 PHE 4 1.618 -4.401 5.312
39 HD2 PHE 4 HD1 PHE 4 4.642 -6.172 7.813
40 HE1 PHE 4 HE2 PHE 4 2.412 -2.159 5.912
41 HE2 PHE 4 HE1 PHE 4 5.503 -3.917 8.353
42 HZ PHE 4 HZ PHE 4 4.417 -1.891 7.384
43 H CYS 5 H CYS 5 4.623 -5.871 3.387
44 HA CYS 5 HA CYS 5 2.532 -4.191 2.238
45 HB2 CYS 5 HB2 CYS 5 4.296 -2.766 1.412
46 HB3 CYS 5 HB3 CYS 5 4.217 -2.986 3.160
47 H GLU 6 H GLU 6 3.810 -7.076 1.284
48 HA GLU 6 HA GLU 6 3.674 -6.343 -1.629
49 HB2 GLU 6 HB2 GLU 6 4.829 -8.340 -2.101
50 HB3 GLU 6 HB3 GLU 6 5.660 -7.443 -0.824
51 HG2 GLU 6 HG2 GLU 6 4.917 -8.903 0.849
52 HG3 GLU 6 HG3 GLU 6 3.894 -9.836 -0.258
53 H LEU 7 H LEU 7 1.384 -6.836 0.437
54 HA LEU 7 HA LEU 7 0.032 -9.214 -0.622
55 HB2 LEU 7 HB2 LEU 7 -1.017 -7.078 1.248
56 HB3 LEU 7 HB3 LEU 7 -1.752 -8.651 0.921
57 HG LEU 7 HG LEU 7 0.889 -8.152 2.352
58 HD11 LEU 7 HD11 LEU 7 -1.741 -9.297 3.378
59 HD12 LEU 7 HD12 LEU 7 -1.172 -7.632 3.632
60 HD13 LEU 7 HD13 LEU 7 -0.268 -8.985 4.320
61 HD21 LEU 7 HD21 LEU 7 1.187 -10.212 1.215
62 HD22 LEU 7 HD22 LEU 7 -0.438 -10.800 1.707
63 HD23 LEU 7 HD23 LEU 7 0.861 -10.563 2.901
64 H ALA 8 H ALA 8 -2.319 -8.849 -1.241
65 HA ALA 8 HA ALA 8 -2.376 -6.890 -3.482
66 HB1 ALA 8 HB1 ALA 8 -2.687 -9.235 -4.115
67 HB2 ALA 8 HB2 ALA 8 -4.019 -9.383 -2.943
68 HB3 ALA 8 HB3 ALA 8 -4.183 -8.311 -4.355
69 HA PRO 9 HA PRO 9 -5.199 -4.945 -0.582
70 HB2 PRO 9 HB2 PRO 9 -5.932 -2.704 -1.942
71 HB3 PRO 9 HB3 PRO 9 -4.330 -2.925 -1.171
72 HG2 PRO 9 HG2 PRO 9 -5.063 -3.319 -4.088
73 HG3 PRO 9 HG3 PRO 9 -3.642 -2.477 -3.392
74 HD2 PRO 9 HD2 PRO 9 -3.577 -5.084 -4.291
75 HD3 PRO 9 HD3 PRO 9 -2.533 -4.498 -2.961
76 H SER 10 H SER 10 -6.827 -6.465 -0.597
77 HA SER 10 HA SER 10 -8.726 -7.015 -2.655
78 HB2 SER 10 HB2 SER 10 -7.982 -8.588 -0.913
79 HB3 SER 10 HB3 SER 10 -8.757 -7.603 0.332
80 HG SER 10 HG SER 10 -10.727 -7.954 -0.839
81 H ALA 11 H ALA 11 -8.718 -4.184 -2.215
82 HA ALA 11 HA ALA 11 -10.640 -3.086 -0.506
83 HB1 ALA 11 HB1 ALA 11 -9.703 -2.212 -3.282
84 HB2 ALA 11 HB2 ALA 11 -10.571 -1.180 -2.142
85 HB3 ALA 11 HB3 ALA 11 -8.950 -1.778 -1.727
86 H GLY 12 H GLY 12 -11.159 -4.861 -3.532
87 HA2 GLY 12 HA2 GLY 12 -13.728 -3.805 -4.141
88 HA3 GLY 12 HA3 GLY 12 -13.086 -5.364 -4.671
89 H SER 13 H SER 13 -12.871 -5.746 -1.477
90 HA SER 13 HA SER 13 -15.005 -7.535 -1.186
91 HB2 SER 13 HB2 SER 13 -12.748 -7.293 0.075
92 HB3 SER 13 HB3 SER 13 -13.591 -6.090 1.066
93 HG SER 13 HG SER 13 -13.800 -8.838 0.907
94 H CYS 14 H CYS 14 -14.849 -4.041 -0.230
95 HA CYS 14 HA CYS 14 -17.738 -4.206 0.469
96 HB2 CYS 14 HB2 CYS 14 -15.766 -2.511 1.994
97 HB3 CYS 14 HB3 CYS 14 -17.403 -2.968 2.445
98 H PHE 15 H PHE 15 -18.766 -1.944 0.370
99 HA PHE 15 HA PHE 15 -17.461 -0.494 -1.879
100 HB2 PHE 15 HB2 PHE 15 -19.909 -0.927 -2.006
101 HB3 PHE 15 HB3 PHE 15 -20.122 -0.015 -0.510
102 HD1 PHE 15 HD1 PHE 15 -19.923 2.443 -0.444
103 HD2 PHE 15 HD2 PHE 15 -19.481 0.233 -4.129
104 HE1 PHE 15 HE1 PHE 15 -20.166 4.544 -1.739
105 HE2 PHE 15 HE2 PHE 15 -19.696 2.332 -5.404
106 HZ PHE 15 HZ PHE 15 -20.018 4.508 -4.218
107 H ALA 16 H ALA 16 -15.803 0.764 -1.156
108 HA ALA 16 HA ALA 16 -16.532 2.871 0.593
109 HB1 ALA 16 HB1 ALA 16 -15.775 1.093 2.203
110 HB2 ALA 16 HB2 ALA 16 -14.157 1.289 1.535
111 HB3 ALA 16 HB3 ALA 16 -14.936 2.663 2.291
112 H PHE 17 H PHE 17 -15.035 4.620 0.504
113 HA PHE 17 HA PHE 17 -13.077 4.455 -1.726
114 HB2 PHE 17 HB2 PHE 17 -15.247 5.390 -2.463
115 HB3 PHE 17 HB3 PHE 17 -15.054 6.699 -1.283
116 HD1 PHE 17 HD2 PHE 17 -13.317 5.010 -4.168
117 HD2 PHE 17 HD1 PHE 17 -13.826 8.664 -1.914
118 HE1 PHE 17 HE2 PHE 17 -11.787 6.199 -5.731
119 HE2 PHE 17 HE1 PHE 17 -12.348 9.841 -3.508
120 HZ PHE 17 HZ PHE 17 -11.302 8.613 -5.396
121 H VAL 18 H VAL 18 -11.233 4.538 -0.584
122 HA VAL 18 HA VAL 18 -10.675 6.985 0.934
123 HB VAL 18 HB VAL 18 -9.388 5.523 2.598
124 HG11 VAL 18 HG11 VAL 18 -11.347 5.374 4.077
125 HG12 VAL 18 HG12 VAL 18 -11.316 6.890 3.177
126 HG13 VAL 18 HG13 VAL 18 -12.435 5.598 2.690
127 HG21 VAL 18 HG21 VAL 18 -11.470 3.446 1.782
128 HG22 VAL 18 HG22 VAL 18 -9.729 3.306 1.498
129 HG23 VAL 18 HG23 VAL 18 -10.341 3.351 3.157
130 HA PRO 19 HA PRO 19 -7.589 6.045 -2.293
131 HB2 PRO 19 HB2 PRO 19 -6.398 8.527 -2.428
132 HB3 PRO 19 HB3 PRO 19 -7.903 8.079 -3.289
133 HG2 PRO 19 HG2 PRO 19 -7.633 9.558 -0.670
134 HG3 PRO 19 HG3 PRO 19 -8.680 9.935 -2.068
135 HD2 PRO 19 HD2 PRO 19 -9.596 8.606 0.132
136 HD3 PRO 19 HD3 PRO 19 -10.208 8.219 -1.508
137 H SER 20 H SER 20 -5.788 4.972 -1.644
138 HA SER 20 HA SER 20 -4.141 6.096 0.503
139 HB2 SER 20 HB2 SER 20 -5.695 3.566 0.705
140 HB3 SER 20 HB3 SER 20 -4.218 3.809 1.652
141 HG SER 20 HG SER 20 -6.007 5.900 1.534
142 H TYR 21 H TYR 21 -2.182 4.065 0.715
143 HA TYR 21 HA TYR 21 -0.947 4.400 -2.006
144 HB2 TYR 21 HB2 TYR 21 0.133 4.795 0.739
145 HB3 TYR 21 HB3 TYR 21 1.220 4.129 -0.463
146 HD1 TYR 21 HD1 TYR 21 -0.854 7.053 0.422
147 HD2 TYR 21 HD2 TYR 21 2.111 5.476 -2.308
148 HE1 TYR 21 HE1 TYR 21 -0.369 9.330 -0.375
149 HE2 TYR 21 HE2 TYR 21 2.536 7.751 -3.143
150 HH TYR 21 HH TYR 21 0.670 10.564 -2.257
151 H TYR 22 H TYR 22 -0.027 2.895 -3.020
152 HA TYR 22 HA TYR 22 -0.096 0.078 -2.115
153 HB2 TYR 22 HB2 TYR 22 -1.048 1.090 -4.491
154 HB3 TYR 22 HB3 TYR 22 0.639 1.143 -4.876
155 HD1 TYR 22 HD1 TYR 22 1.982 -0.970 -5.013
156 HD2 TYR 22 HD2 TYR 22 -2.288 -0.936 -4.536
157 HE1 TYR 22 HE1 TYR 22 1.943 -3.297 -5.727
158 HE2 TYR 22 HE2 TYR 22 -2.354 -3.315 -5.302
159 HH TYR 22 HH TYR 22 0.548 -5.054 -6.446
160 H TYR 23 H TYR 23 1.912 -1.220 -2.334
161 HA TYR 23 HA TYR 23 4.427 0.395 -2.488
162 HB2 TYR 23 HB2 TYR 23 4.112 -0.652 -0.338
163 HB3 TYR 23 HB3 TYR 23 3.724 -2.185 -1.082
164 HD1 TYR 23 HD1 TYR 23 6.562 0.316 -1.208
165 HD2 TYR 23 HD2 TYR 23 5.408 -3.834 -1.226
166 HE1 TYR 23 HE1 TYR 23 8.938 -0.344 -1.242
167 HE2 TYR 23 HE2 TYR 23 7.779 -4.495 -1.140
168 HH TYR 23 HH TYR 23 10.363 -2.377 -0.525
169 H ASN 24 H ASN 24 5.908 -0.129 -4.105
170 HA ASN 24 HA ASN 24 5.438 -2.614 -5.659
171 HB2 ASN 24 HB2 ASN 24 6.017 0.196 -6.616
172 HB3 ASN 24 HB3 ASN 24 6.425 -1.213 -7.579
173 HD21 ASN 24 HD21 ASN 24 4.860 -2.048 -8.937
174 HD22 ASN 24 HD22 ASN 24 3.147 -1.745 -8.762
175 H GLN 25 H GLN 25 7.032 -3.733 -4.332
176 HA GLN 25 HA GLN 25 9.711 -2.967 -3.892
177 HB2 GLN 25 HB2 GLN 25 10.259 -5.427 -4.201
178 HB3 GLN 25 HB3 GLN 25 9.208 -5.002 -2.878
179 HG2 GLN 25 HG2 GLN 25 8.143 -6.060 -5.540
180 HG3 GLN 25 HG3 GLN 25 8.698 -7.113 -4.239
181 HE21 GLN 25 HE21 GLN 25 5.906 -5.328 -5.359
182 HE22 GLN 25 HE22 GLN 25 5.072 -5.394 -3.848
183 H TYR 26 H TYR 26 8.175 -4.282 -6.802
184 HA TYR 26 HA TYR 26 10.267 -4.928 -8.462
185 HB2 TYR 26 HB2 TYR 26 7.594 -3.602 -9.042
186 HB3 TYR 26 HB3 TYR 26 8.651 -4.213 -10.298
187 HD1 TYR 26 HD2 TYR 26 9.004 -6.605 -10.648
188 HD2 TYR 26 HD1 TYR 26 6.304 -5.149 -7.638
189 HE1 TYR 26 HE2 TYR 26 7.906 -8.802 -10.588
190 HE2 TYR 26 HE1 TYR 26 5.195 -7.384 -7.534
191 HH TYR 26 HH TYR 26 5.877 -9.842 -9.978
192 H SER 27 H SER 27 9.098 -1.634 -7.679
193 HA SER 27 HA SER 27 11.294 -0.557 -9.355
194 HB2 SER 27 HB2 SER 27 8.895 -0.241 -10.195
195 HB3 SER 27 HB3 SER 27 8.657 0.843 -8.813
196 HG SER 27 HG SER 27 10.736 1.013 -10.760
197 H ASN 28 H ASN 28 10.928 -1.349 -6.356
198 HA ASN 28 HA ASN 28 11.415 -0.603 -4.317
199 HB2 ASN 28 HB2 ASN 28 13.634 -0.718 -5.423
200 HB3 ASN 28 HB3 ASN 28 13.492 0.955 -5.942
201 HD21 ASN 28 HD21 ASN 28 13.254 -0.842 -2.768
202 HD22 ASN 28 HD22 ASN 28 14.339 0.259 -1.982
203 H THR 29 H THR 29 9.161 0.695 -5.131
204 HA THR 29 HA THR 29 9.363 3.158 -3.648
205 HB THR 29 HB THR 29 10.120 3.716 -5.992
206 HG1 THR 29 HG1 THR 29 9.319 5.610 -5.816
207 HG21 THR 29 HG21 THR 29 7.177 3.376 -6.718
208 HG22 THR 29 HG22 THR 29 8.534 2.409 -7.324
209 HG23 THR 29 HG23 THR 29 8.435 4.141 -7.691
210 H CYS 30 H CYS 30 6.922 4.229 -4.422
211 HA CYS 30 HA CYS 30 4.857 2.164 -3.928
212 HB2 CYS 30 HB2 CYS 30 5.219 4.782 -2.446
213 HB3 CYS 30 HB3 CYS 30 3.857 3.704 -2.252
214 H HIS 31 H HIS 31 2.614 3.317 -4.138
215 HA HIS 31 HA HIS 31 2.646 5.703 -5.768
216 HB2 HIS 31 HB2 HIS 31 3.089 3.508 -7.228
217 HB3 HIS 31 HB3 HIS 31 1.360 3.258 -7.021
218 HD1 HIS 31 HD1 HIS 31 0.389 3.994 -9.367
219 HD2 HIS 31 HD2 HIS 31 3.189 6.664 -7.666
220 HE1 HIS 31 HE1 HIS 31 0.594 5.932 -10.981
221 H SER 32 H SER 32 0.681 6.802 -5.557
222 HA SER 32 HA SER 32 -1.152 5.801 -3.578
223 HB2 SER 32 HB2 SER 32 -2.555 7.687 -4.293
224 HB3 SER 32 HB3 SER 32 -0.930 8.146 -3.781
225 HG SER 32 HG SER 32 -1.191 7.666 -6.514
226 H PHE 33 H PHE 33 -3.049 4.681 -3.812
227 HA PHE 33 HA PHE 33 -4.214 4.202 -6.461
228 HB2 PHE 33 HB2 PHE 33 -4.199 1.898 -6.423
229 HB3 PHE 33 HB3 PHE 33 -2.577 2.301 -5.860
230 HD1 PHE 33 HD2 PHE 33 -2.271 2.398 -3.349
231 HD2 PHE 33 HD1 PHE 33 -5.617 0.433 -5.139
232 HE1 PHE 33 HE2 PHE 33 -2.443 0.845 -1.375
233 HE2 PHE 33 HE1 PHE 33 -6.077 -0.723 -3.021
234 HZ PHE 33 HZ PHE 33 -4.414 -0.371 -1.031
235 H THR 34 H THR 34 -6.251 2.652 -5.762
236 HA THR 34 HA THR 34 -7.805 4.397 -3.823
237 HB THR 34 HB THR 34 -9.819 3.473 -5.108
238 HG1 THR 34 HG1 THR 34 -9.446 2.222 -6.690
239 HG21 THR 34 HG21 THR 34 -7.817 5.276 -6.557
240 HG22 THR 34 HG22 THR 34 -9.010 5.799 -5.358
241 HG23 THR 34 HG23 THR 34 -9.557 5.144 -6.910
242 H TYR 35 H TYR 35 -8.476 3.571 -1.878
243 HA TYR 35 HA TYR 35 -8.428 0.635 -1.658
244 HB2 TYR 35 HB2 TYR 35 -6.625 1.751 -0.461
245 HB3 TYR 35 HB3 TYR 35 -7.788 2.536 0.575
246 HD1 TYR 35 HD1 TYR 35 -6.657 -0.884 -0.612
247 HD2 TYR 35 HD2 TYR 35 -8.289 1.474 2.632
248 HE1 TYR 35 HE1 TYR 35 -6.268 -2.743 0.949
249 HE2 TYR 35 HE2 TYR 35 -7.946 -0.417 4.171
250 HH TYR 35 HH TYR 35 -7.251 -2.718 4.361
251 H SER 36 H SER 36 -9.739 -0.026 0.517
252 HA SER 36 HA SER 36 -12.300 1.398 0.658
253 HB2 SER 36 HB2 SER 36 -12.323 -0.596 -0.913
254 HB3 SER 36 HB3 SER 36 -11.930 -1.627 0.476
255 HG SER 36 HG SER 36 -14.182 -1.423 -0.202
256 H GLY 37 H GLY 37 -12.712 1.785 2.896
257 HA2 GLY 37 HA2 GLY 37 -10.760 1.217 4.855
258 HA3 GLY 37 HA3 GLY 37 -12.407 1.766 5.166
259 H CYS 38 H CYS 38 -13.509 -0.643 3.782
260 HA CYS 38 HA CYS 38 -13.253 -2.649 5.963
261 HB2 CYS 38 HB2 CYS 38 -15.458 -1.793 5.813
262 HB3 CYS 38 HB3 CYS 38 -15.456 -1.784 4.063
263 H GLY 39 H GLY 39 -12.510 -4.682 5.304
264 HA2 GLY 39 HA2 GLY 39 -11.803 -6.328 3.802
265 HA3 GLY 39 HA3 GLY 39 -12.379 -5.335 2.455
266 H GLY 40 H GLY 40 -10.198 -6.222 1.677
267 HA2 GLY 40 HA2 GLY 40 -8.242 -5.291 0.738
268 HA3 GLY 40 HA3 GLY 40 -8.252 -4.022 1.938
269 H ASN 41 H ASN 41 -5.826 -4.935 1.597
270 HA ASN 41 HA ASN 41 -5.298 -6.845 3.813
271 HB2 ASN 41 HB2 ASN 41 -4.082 -6.811 1.035
272 HB3 ASN 41 HB3 ASN 41 -3.184 -7.401 2.411
273 HD21 ASN 41 HD21 ASN 41 -5.246 -8.507 0.003
274 HD22 ASN 41 HD22 ASN 41 -5.906 -9.895 0.794
275 H ALA 42 H ALA 42 -3.141 -6.632 4.656
276 HA ALA 42 HA ALA 42 -2.583 -4.118 5.628
277 HB1 ALA 42 HB1 ALA 42 -0.561 -6.368 5.346
278 HB2 ALA 42 HB2 ALA 42 -0.574 -5.080 6.556
279 HB3 ALA 42 HB3 ALA 42 -1.848 -6.317 6.587
280 H ASN 43 H ASN 43 -1.694 -5.019 2.307
281 HA ASN 43 HA ASN 43 0.746 -3.480 2.368
282 HB2 ASN 43 HB2 ASN 43 0.862 -3.746 0.056
283 HB3 ASN 43 HB3 ASN 43 0.169 -5.251 0.643
284 HD21 ASN 43 HD21 ASN 43 -0.205 -2.540 -1.401
285 HD22 ASN 43 HD22 ASN 43 -1.763 -2.992 -2.061
286 H ARG 44 H ARG 44 -2.267 -2.387 2.863
287 HA ARG 44 HA ARG 44 -2.259 0.029 1.278
288 HB2 ARG 44 HB2 ARG 44 -4.317 -1.031 2.017
289 HB3 ARG 44 HB3 ARG 44 -3.826 -1.008 3.718
290 HG2 ARG 44 HG2 ARG 44 -3.750 1.628 2.425
291 HG3 ARG 44 HG3 ARG 44 -5.353 0.932 2.427
292 HD2 ARG 44 HD2 ARG 44 -5.339 0.910 4.853
293 HD3 ARG 44 HD3 ARG 44 -3.605 1.352 4.853
294 HE ARG 44 HE ARG 44 -5.164 3.118 3.243
295 HH11 ARG 44 HH11 ARG 44 -4.210 2.522 6.601
296 HH12 ARG 44 HH12 ARG 44 -4.200 4.182 7.095
297 HH21 ARG 44 HH21 ARG 44 -5.286 5.267 3.823
298 HH22 ARG 44 HH22 ARG 44 -5.068 5.817 5.464
299 H PHE 45 H PHE 45 -1.342 1.913 1.787
300 HA PHE 45 HA PHE 45 -0.419 2.464 4.567
301 HB2 PHE 45 HB2 PHE 45 0.958 3.036 1.919
302 HB3 PHE 45 HB3 PHE 45 1.410 3.826 3.430
303 HD1 PHE 45 HD1 PHE 45 2.104 2.406 5.444
304 HD2 PHE 45 HD2 PHE 45 1.658 0.792 1.449
305 HE1 PHE 45 HE1 PHE 45 3.400 0.439 6.093
306 HE2 PHE 45 HE2 PHE 45 3.028 -1.132 2.085
307 HZ PHE 45 HZ PHE 45 3.984 -1.293 4.409
308 H ARG 46 H ARG 46 -0.097 4.867 4.854
309 HA ARG 46 HA ARG 46 -2.445 6.339 3.766
310 HB2 ARG 46 HB2 ARG 46 -1.914 7.775 5.925
311 HB3 ARG 46 HB3 ARG 46 -2.876 6.319 5.973
312 HG2 ARG 46 HG2 ARG 46 -1.327 6.489 7.861
313 HG3 ARG 46 HG3 ARG 46 -1.134 5.013 6.937
314 HD2 ARG 46 HD2 ARG 46 0.997 5.838 7.629
315 HD3 ARG 46 HD3 ARG 46 0.931 5.949 5.884
316 HE ARG 46 HE ARG 46 0.617 8.359 6.043
317 HH11 ARG 46 HH11 ARG 46 1.908 6.756 9.013
318 HH12 ARG 46 HH12 ARG 46 2.629 8.234 9.528
319 HH21 ARG 46 HH21 ARG 46 1.090 10.284 7.126
320 HH22 ARG 46 HH22 ARG 46 2.115 10.243 8.523
321 H THR 47 H THR 47 0.997 6.290 3.568
322 HA THR 47 HA THR 47 0.938 8.550 1.931
323 HB THR 47 HB THR 47 0.973 9.631 4.267
324 HG1 THR 47 HG1 THR 47 1.560 10.812 2.528
325 HG21 THR 47 HG21 THR 47 3.879 8.795 4.235
326 HG22 THR 47 HG22 THR 47 2.692 7.861 5.082
327 HG23 THR 47 HG23 THR 47 3.001 9.574 5.538
328 H ILE 48 H ILE 48 3.031 8.897 0.907
329 HA ILE 48 HA ILE 48 4.306 6.432 0.506
330 HB ILE 48 HB ILE 48 4.096 7.862 -1.321
331 HG12 ILE 48 HG12 ILE 48 7.059 7.722 -0.677
332 HG13 ILE 48 HG13 ILE 48 6.096 6.328 -1.096
333 HG21 ILE 48 HG21 ILE 48 4.150 10.075 -0.194
334 HG22 ILE 48 HG22 ILE 48 5.891 9.883 0.097
335 HG23 ILE 48 HG23 ILE 48 5.261 10.036 -1.553
336 HD11 ILE 48 HD11 ILE 48 6.502 8.708 -2.918
337 HD12 ILE 48 HD12 ILE 48 7.273 7.120 -3.053
338 HD13 ILE 48 HD13 ILE 48 5.518 7.269 -3.277
339 H ASP 49 H ASP 49 4.939 9.139 2.617
340 HA ASP 49 HA ASP 49 7.725 8.734 3.079
341 HB2 ASP 49 HB2 ASP 49 5.754 9.704 5.145
342 HB3 ASP 49 HB3 ASP 49 7.482 10.035 5.070
343 H GLU 50 H GLU 50 4.846 7.169 4.332
344 HA GLU 50 HA GLU 50 6.267 5.770 6.492
345 HB2 GLU 50 HB2 GLU 50 3.787 6.665 6.410
346 HB3 GLU 50 HB3 GLU 50 3.437 5.166 5.559
347 HG2 GLU 50 HG2 GLU 50 4.373 5.688 8.376
348 HG3 GLU 50 HG3 GLU 50 2.936 4.828 7.826
349 H CYS 51 H CYS 51 4.505 5.014 3.429
350 HA CYS 51 HA CYS 51 5.130 2.320 3.488
351 HB2 CYS 51 HB2 CYS 51 4.189 2.180 1.343
352 HB3 CYS 51 HB3 CYS 51 3.480 3.667 2.001
353 H ASN 52 H ASN 52 7.100 4.978 2.131
354 HA ASN 52 HA ASN 52 8.968 3.116 1.020
355 HB2 ASN 52 HB2 ASN 52 10.019 4.807 -0.006
356 HB3 ASN 52 HB3 ASN 52 8.456 5.552 0.211
357 HD21 ASN 52 HD21 ASN 52 8.356 7.374 1.404
358 HD22 ASN 52 HD22 ASN 52 9.721 8.217 2.099
359 H ARG 53 H ARG 53 9.149 5.347 3.894
360 HA ARG 53 HA ARG 53 11.591 4.297 4.722
361 HB2 ARG 53 HB2 ARG 53 11.338 5.413 6.718
362 HB3 ARG 53 HB3 ARG 53 10.255 6.303 5.642
363 HG2 ARG 53 HG2 ARG 53 8.335 5.021 6.592
364 HG3 ARG 53 HG3 ARG 53 9.421 4.237 7.730
365 HD2 ARG 53 HD2 ARG 53 9.064 7.256 7.534
366 HD3 ARG 53 HD3 ARG 53 8.148 6.225 8.633
367 HE ARG 53 HE ARG 53 10.265 5.507 9.665
368 HH11 ARG 53 HH11 ARG 53 10.538 8.569 7.758
369 HH12 ARG 53 HH12 ARG 53 11.938 9.042 8.653
370 HH21 ARG 53 HH21 ARG 53 11.996 6.353 10.893
371 HH22 ARG 53 HH22 ARG 53 12.854 7.736 10.284
372 H THR 54 H THR 54 8.448 2.730 5.079
373 HA THR 54 HA THR 54 9.577 0.718 6.870
374 HB THR 54 HB THR 54 7.317 1.968 6.951
375 HG1 THR 54 HG1 THR 54 6.592 0.467 8.256
376 HG21 THR 54 HG21 THR 54 5.474 1.029 5.969
377 HG22 THR 54 HG22 THR 54 6.289 -0.501 5.535
378 HG23 THR 54 HG23 THR 54 6.618 1.004 4.646
379 H CYS 55 H CYS 55 9.247 0.898 3.375
380 HA CYS 55 HA CYS 55 9.947 -2.002 3.301
381 HB2 CYS 55 HB2 CYS 55 7.868 -0.777 1.479
382 HB3 CYS 55 HB3 CYS 55 8.468 -2.432 1.474
383 H VAL 56 H VAL 56 10.325 1.139 1.878
384 HA VAL 56 HA VAL 56 11.654 0.108 -0.565
385 HB VAL 56 HB VAL 56 11.227 2.877 0.557
386 HG11 VAL 56 HG11 VAL 56 12.089 3.858 -1.463
387 HG12 VAL 56 HG12 VAL 56 13.375 3.018 -0.594
388 HG13 VAL 56 HG13 VAL 56 12.644 2.283 -2.034
389 HG21 VAL 56 HG21 VAL 56 9.799 3.102 -1.467
390 HG22 VAL 56 HG22 VAL 56 10.249 1.469 -1.971
391 HG23 VAL 56 HG23 VAL 56 9.271 1.719 -0.513
392 H GLY 57 H GLY 57 13.163 -1.269 0.269
393 HA2 GLY 57 HA2 GLY 57 15.073 -0.448 2.331
394 HA3 GLY 57 HA3 GLY 57 14.988 -1.997 1.471
Start of MODEL 20
1 H1 ARG 1 H ARG 1 13.125 -4.503 3.117
2 HA ARG 1 HA ARG 1 10.773 -4.063 3.315
3 HB2 ARG 1 HB2 ARG 1 9.947 -4.743 1.110
4 HB3 ARG 1 HB3 ARG 1 11.534 -3.996 1.105
5 HG2 ARG 1 HG2 ARG 1 12.053 -6.804 1.157
6 HG3 ARG 1 HG3 ARG 1 10.700 -6.574 0.064
7 HD2 ARG 1 HD2 ARG 1 12.755 -6.412 -1.166
8 HD3 ARG 1 HD3 ARG 1 11.972 -4.817 -1.152
9 HE ARG 1 HE ARG 1 13.713 -4.647 0.969
10 HH11 ARG 1 HH11 ARG 1 14.103 -5.312 -2.482
11 HH12 ARG 1 HH12 ARG 1 15.790 -4.881 -2.494
12 HH21 ARG 1 HH21 ARG 1 15.899 -4.347 1.019
13 HH22 ARG 1 HH22 ARG 1 16.864 -4.248 -0.421
14 HA PRO 2 HA PRO 2 8.915 -7.542 5.379
15 HB2 PRO 2 HB2 PRO 2 6.672 -6.325 6.263
16 HB3 PRO 2 HB3 PRO 2 8.271 -5.960 6.976
17 HG2 PRO 2 HG2 PRO 2 6.788 -4.399 4.860
18 HG3 PRO 2 HG3 PRO 2 7.576 -3.769 6.348
19 HD2 PRO 2 HD2 PRO 2 8.824 -3.742 3.925
20 HD3 PRO 2 HD3 PRO 2 9.736 -4.055 5.434
21 H ARG 3 H ARG 3 7.625 -9.089 4.574
22 HA ARG 3 HA ARG 3 6.522 -8.923 1.994
23 HB2 ARG 3 HB2 ARG 3 5.803 -11.113 2.222
24 HB3 ARG 3 HB3 ARG 3 7.211 -11.017 3.266
25 HG2 ARG 3 HG2 ARG 3 4.284 -11.028 4.130
26 HG3 ARG 3 HG3 ARG 3 5.438 -12.347 4.268
27 HD2 ARG 3 HD2 ARG 3 6.758 -11.144 5.921
28 HD3 ARG 3 HD3 ARG 3 5.743 -9.706 5.711
29 HE ARG 3 HE ARG 3 4.385 -12.179 6.504
30 HH11 ARG 3 HH11 ARG 3 5.836 -9.142 7.736
31 HH12 ARG 3 HH12 ARG 3 4.594 -8.984 8.970
32 HH21 ARG 3 HH21 ARG 3 2.957 -11.957 8.341
33 HH22 ARG 3 HH22 ARG 3 3.125 -10.537 9.359
34 H PHE 4 H PHE 4 4.978 -7.854 4.979
35 HA PHE 4 HA PHE 4 2.300 -8.213 4.054
36 HB2 PHE 4 HB2 PHE 4 1.621 -6.787 5.798
37 HB3 PHE 4 HB3 PHE 4 2.933 -7.758 6.407
38 HD1 PHE 4 HD2 PHE 4 2.274 -4.344 4.873
39 HD2 PHE 4 HD1 PHE 4 4.571 -6.685 7.680
40 HE1 PHE 4 HE2 PHE 4 3.568 -2.317 5.541
41 HE2 PHE 4 HE1 PHE 4 5.783 -4.650 8.382
42 HZ PHE 4 HZ PHE 4 5.296 -2.455 7.283
43 H CYS 5 H CYS 5 4.819 -5.925 3.130
44 HA CYS 5 HA CYS 5 3.101 -3.916 2.130
45 HB2 CYS 5 HB2 CYS 5 5.809 -4.290 2.675
46 HB3 CYS 5 HB3 CYS 5 5.800 -4.209 0.932
47 H GLU 6 H GLU 6 4.085 -7.024 0.832
48 HA GLU 6 HA GLU 6 3.509 -6.214 -1.940
49 HB2 GLU 6 HB2 GLU 6 4.573 -8.190 -2.579
50 HB3 GLU 6 HB3 GLU 6 5.495 -7.608 -1.203
51 HG2 GLU 6 HG2 GLU 6 5.242 -9.505 -0.093
52 HG3 GLU 6 HG3 GLU 6 3.487 -9.428 -0.205
53 H LEU 7 H LEU 7 1.386 -6.846 0.443
54 HA LEU 7 HA LEU 7 -0.029 -9.076 -0.714
55 HB2 LEU 7 HB2 LEU 7 -0.929 -7.002 1.287
56 HB3 LEU 7 HB3 LEU 7 -1.788 -8.513 0.898
57 HG LEU 7 HG LEU 7 0.913 -8.210 2.250
58 HD11 LEU 7 HD11 LEU 7 -0.162 -9.112 4.173
59 HD12 LEU 7 HD12 LEU 7 -1.648 -9.488 3.265
60 HD13 LEU 7 HD13 LEU 7 -1.186 -7.807 3.575
61 HD21 LEU 7 HD21 LEU 7 0.939 -10.621 2.599
62 HD22 LEU 7 HD22 LEU 7 1.148 -10.172 0.910
63 HD23 LEU 7 HD23 LEU 7 -0.438 -10.794 1.460
64 H ALA 8 H ALA 8 -2.299 -8.881 -1.314
65 HA ALA 8 HA ALA 8 -2.583 -6.888 -3.506
66 HB1 ALA 8 HB1 ALA 8 -4.087 -9.461 -2.897
67 HB2 ALA 8 HB2 ALA 8 -4.373 -8.397 -4.300
68 HB3 ALA 8 HB3 ALA 8 -2.822 -9.236 -4.124
69 HA PRO 9 HA PRO 9 -5.249 -4.907 -0.460
70 HB2 PRO 9 HB2 PRO 9 -6.137 -2.752 -1.865
71 HB3 PRO 9 HB3 PRO 9 -4.527 -2.872 -1.111
72 HG2 PRO 9 HG2 PRO 9 -5.284 -3.411 -4.003
73 HG3 PRO 9 HG3 PRO 9 -3.897 -2.474 -3.370
74 HD2 PRO 9 HD2 PRO 9 -3.680 -5.080 -4.180
75 HD3 PRO 9 HD3 PRO 9 -2.691 -4.426 -2.843
76 H SER 10 H SER 10 -6.918 -6.454 -0.314
77 HA SER 10 HA SER 10 -8.854 -6.933 -2.326
78 HB2 SER 10 HB2 SER 10 -7.997 -8.498 -0.498
79 HB3 SER 10 HB3 SER 10 -9.084 -7.652 0.616
80 HG SER 10 HG SER 10 -10.167 -9.416 -0.252
81 H ALA 11 H ALA 11 -9.109 -4.323 -2.332
82 HA ALA 11 HA ALA 11 -10.917 -3.172 -0.401
83 HB1 ALA 11 HB1 ALA 11 -10.926 -1.266 -2.016
84 HB2 ALA 11 HB2 ALA 11 -9.282 -1.841 -1.656
85 HB3 ALA 11 HB3 ALA 11 -10.073 -2.277 -3.190
86 H GLY 12 H GLY 12 -11.617 -5.284 -3.080
87 HA2 GLY 12 HA2 GLY 12 -14.072 -4.149 -3.942
88 HA3 GLY 12 HA3 GLY 12 -13.537 -5.820 -4.138
89 H SER 13 H SER 13 -13.465 -5.696 -0.893
90 HA SER 13 HA SER 13 -15.707 -7.233 -0.467
91 HB2 SER 13 HB2 SER 13 -14.365 -5.439 1.574
92 HB3 SER 13 HB3 SER 13 -15.164 -6.996 1.870
93 HG SER 13 HG SER 13 -13.482 -7.998 0.675
94 H CYS 14 H CYS 14 -15.560 -3.620 -0.170
95 HA CYS 14 HA CYS 14 -18.504 -3.569 -0.041
96 HB2 CYS 14 HB2 CYS 14 -16.703 -2.229 2.012
97 HB3 CYS 14 HB3 CYS 14 -18.418 -1.913 1.835
98 H PHE 15 H PHE 15 -19.281 -1.295 -0.287
99 HA PHE 15 HA PHE 15 -17.581 0.087 -2.262
100 HB2 PHE 15 HB2 PHE 15 -20.032 -0.356 -2.692
101 HB3 PHE 15 HB3 PHE 15 -20.410 0.773 -1.389
102 HD1 PHE 15 HD1 PHE 15 -19.343 3.217 -1.583
103 HD2 PHE 15 HD2 PHE 15 -19.738 0.453 -4.888
104 HE1 PHE 15 HE1 PHE 15 -18.927 5.049 -3.184
105 HE2 PHE 15 HE2 PHE 15 -19.470 2.332 -6.462
106 HZ PHE 15 HZ PHE 15 -19.071 4.648 -5.597
107 H ALA 16 H ALA 16 -16.100 1.423 -1.390
108 HA ALA 16 HA ALA 16 -16.949 3.551 0.392
109 HB1 ALA 16 HB1 ALA 16 -14.717 1.619 1.112
110 HB2 ALA 16 HB2 ALA 16 -15.010 3.166 1.910
111 HB3 ALA 16 HB3 ALA 16 -16.218 1.860 2.021
112 H PHE 17 H PHE 17 -15.422 5.296 0.166
113 HA PHE 17 HA PHE 17 -13.423 4.914 -2.030
114 HB2 PHE 17 HB2 PHE 17 -15.599 6.070 -2.646
115 HB3 PHE 17 HB3 PHE 17 -15.109 7.390 -1.594
116 HD1 PHE 17 HD2 PHE 17 -11.979 6.518 -2.891
117 HD2 PHE 17 HD1 PHE 17 -15.796 8.075 -4.228
118 HE1 PHE 17 HE2 PHE 17 -10.884 7.519 -4.805
119 HE2 PHE 17 HE1 PHE 17 -14.662 9.112 -6.156
120 HZ PHE 17 HZ PHE 17 -12.198 8.856 -6.453
121 H VAL 18 H VAL 18 -11.624 4.755 -0.769
122 HA VAL 18 HA VAL 18 -10.828 7.130 0.778
123 HB VAL 18 HB VAL 18 -9.784 5.493 2.466
124 HG11 VAL 18 HG11 VAL 18 -12.777 6.064 2.459
125 HG12 VAL 18 HG12 VAL 18 -11.798 5.638 3.876
126 HG13 VAL 18 HG13 VAL 18 -11.463 7.138 3.017
127 HG21 VAL 18 HG21 VAL 18 -11.059 3.486 3.008
128 HG22 VAL 18 HG22 VAL 18 -12.136 3.726 1.622
129 HG23 VAL 18 HG23 VAL 18 -10.419 3.339 1.372
130 HA PRO 19 HA PRO 19 -7.723 5.785 -2.285
131 HB2 PRO 19 HB2 PRO 19 -6.520 8.230 -2.689
132 HB3 PRO 19 HB3 PRO 19 -7.988 7.676 -3.553
133 HG2 PRO 19 HG2 PRO 19 -7.810 9.464 -1.125
134 HG3 PRO 19 HG3 PRO 19 -8.822 9.662 -2.584
135 HD2 PRO 19 HD2 PRO 19 -9.792 8.639 -0.251
136 HD3 PRO 19 HD3 PRO 19 -10.367 8.046 -1.839
137 H SER 20 H SER 20 -6.048 4.767 -1.437
138 HA SER 20 HA SER 20 -4.528 5.947 0.794
139 HB2 SER 20 HB2 SER 20 -5.181 3.010 0.581
140 HB3 SER 20 HB3 SER 20 -4.435 3.893 1.913
141 HG SER 20 HG SER 20 -7.072 4.327 0.960
142 H TYR 21 H TYR 21 -2.443 4.125 0.926
143 HA TYR 21 HA TYR 21 -1.156 4.505 -1.743
144 HB2 TYR 21 HB2 TYR 21 -0.382 5.047 1.058
145 HB3 TYR 21 HB3 TYR 21 0.792 4.314 0.053
146 HD1 TYR 21 HD2 TYR 21 1.924 5.691 -1.890
147 HD2 TYR 21 HD1 TYR 21 -1.248 7.252 0.674
148 HE1 TYR 21 HE2 TYR 21 2.348 7.946 -2.699
149 HE2 TYR 21 HE1 TYR 21 -0.667 9.525 -0.018
150 HH TYR 21 HH TYR 21 1.664 10.249 -2.618
151 H TYR 22 H TYR 22 -0.066 2.941 -2.718
152 HA TYR 22 HA TYR 22 -0.191 0.136 -1.775
153 HB2 TYR 22 HB2 TYR 22 -1.246 1.155 -4.043
154 HB3 TYR 22 HB3 TYR 22 0.412 1.283 -4.545
155 HD1 TYR 22 HD1 TYR 22 1.791 -0.799 -5.032
156 HD2 TYR 22 HD2 TYR 22 -2.420 -0.910 -4.130
157 HE1 TYR 22 HE1 TYR 22 1.711 -3.098 -5.859
158 HE2 TYR 22 HE2 TYR 22 -2.539 -3.188 -5.146
159 HH TYR 22 HH TYR 22 0.319 -4.881 -6.483
160 H TYR 23 H TYR 23 1.784 -1.130 -2.582
161 HA TYR 23 HA TYR 23 4.344 0.460 -2.678
162 HB2 TYR 23 HB2 TYR 23 4.262 -0.468 -0.478
163 HB3 TYR 23 HB3 TYR 23 3.700 -2.013 -1.071
164 HD1 TYR 23 HD1 TYR 23 6.679 0.306 -1.237
165 HD2 TYR 23 HD2 TYR 23 5.259 -3.752 -1.492
166 HE1 TYR 23 HE1 TYR 23 8.984 -0.486 -1.111
167 HE2 TYR 23 HE2 TYR 23 7.591 -4.553 -1.262
168 HH TYR 23 HH TYR 23 10.222 -2.554 -0.445
169 H ASN 24 H ASN 24 5.842 -0.226 -4.239
170 HA ASN 24 HA ASN 24 5.283 -2.793 -5.624
171 HB2 ASN 24 HB2 ASN 24 5.282 -0.051 -6.825
172 HB3 ASN 24 HB3 ASN 24 6.167 -1.291 -7.700
173 HD21 ASN 24 HD21 ASN 24 3.285 0.123 -8.044
174 HD22 ASN 24 HD22 ASN 24 2.339 -1.283 -8.461
175 H GLN 25 H GLN 25 6.916 -3.800 -4.606
176 HA GLN 25 HA GLN 25 9.508 -2.822 -4.099
177 HB2 GLN 25 HB2 GLN 25 10.239 -5.247 -4.175
178 HB3 GLN 25 HB3 GLN 25 9.048 -4.822 -2.985
179 HG2 GLN 25 HG2 GLN 25 8.332 -6.167 -5.623
180 HG3 GLN 25 HG3 GLN 25 8.723 -7.022 -4.125
181 HE21 GLN 25 HE21 GLN 25 6.082 -5.813 -5.857
182 HE22 GLN 25 HE22 GLN 25 4.954 -5.674 -4.546
183 H TYR 26 H TYR 26 8.154 -4.180 -7.083
184 HA TYR 26 HA TYR 26 10.400 -4.704 -8.585
185 HB2 TYR 26 HB2 TYR 26 7.912 -3.276 -9.586
186 HB3 TYR 26 HB3 TYR 26 8.986 -4.302 -10.521
187 HD1 TYR 26 HD2 TYR 26 9.186 -6.835 -9.637
188 HD2 TYR 26 HD1 TYR 26 5.905 -4.161 -8.780
189 HE1 TYR 26 HE2 TYR 26 7.701 -8.779 -9.284
190 HE2 TYR 26 HE1 TYR 26 4.426 -6.092 -8.389
191 HH TYR 26 HH TYR 26 5.516 -9.494 -8.589
192 H SER 27 H SER 27 9.034 -1.515 -7.789
193 HA SER 27 HA SER 27 11.121 -0.125 -9.390
194 HB2 SER 27 HB2 SER 27 8.718 0.166 -10.012
195 HB3 SER 27 HB3 SER 27 8.386 0.742 -8.374
196 HG SER 27 HG SER 27 9.719 1.987 -10.509
197 H ASN 28 H ASN 28 10.778 -1.256 -6.342
198 HA ASN 28 HA ASN 28 11.262 -0.674 -4.242
199 HB2 ASN 28 HB2 ASN 28 13.469 -0.870 -5.436
200 HB3 ASN 28 HB3 ASN 28 13.486 0.890 -5.593
201 HD21 ASN 28 HD21 ASN 28 12.753 -1.421 -2.835
202 HD22 ASN 28 HD22 ASN 28 13.962 -0.646 -1.808
203 H THR 29 H THR 29 9.117 0.785 -5.062
204 HA THR 29 HA THR 29 9.358 3.131 -3.428
205 HB THR 29 HB THR 29 10.221 3.767 -5.726
206 HG1 THR 29 HG1 THR 29 9.397 5.183 -4.086
207 HG21 THR 29 HG21 THR 29 7.304 3.869 -6.508
208 HG22 THR 29 HG22 THR 29 8.417 2.591 -7.053
209 HG23 THR 29 HG23 THR 29 8.714 4.283 -7.492
210 H CYS 30 H CYS 30 6.943 4.372 -4.003
211 HA CYS 30 HA CYS 30 4.854 2.272 -3.785
212 HB2 CYS 30 HB2 CYS 30 4.856 4.552 -1.872
213 HB3 CYS 30 HB3 CYS 30 4.276 2.893 -1.821
214 H HIS 31 H HIS 31 2.596 3.304 -3.889
215 HA HIS 31 HA HIS 31 2.605 5.972 -5.124
216 HB2 HIS 31 HB2 HIS 31 3.110 3.887 -6.764
217 HB3 HIS 31 HB3 HIS 31 1.379 3.685 -6.687
218 HD1 HIS 31 HD1 HIS 31 0.486 4.803 -8.908
219 HD2 HIS 31 HD2 HIS 31 3.763 6.721 -7.074
220 HE1 HIS 31 HE1 HIS 31 1.084 6.771 -10.427
221 H SER 32 H SER 32 0.396 6.936 -5.166
222 HA SER 32 HA SER 32 -1.368 5.595 -3.311
223 HB2 SER 32 HB2 SER 32 -2.891 7.555 -4.025
224 HB3 SER 32 HB3 SER 32 -1.582 7.728 -2.864
225 HG SER 32 HG SER 32 -1.668 9.363 -4.503
226 H PHE 33 H PHE 33 -3.329 4.711 -3.635
227 HA PHE 33 HA PHE 33 -4.360 4.105 -6.301
228 HB2 PHE 33 HB2 PHE 33 -4.190 1.809 -6.144
229 HB3 PHE 33 HB3 PHE 33 -2.633 2.328 -5.507
230 HD1 PHE 33 HD2 PHE 33 -2.522 2.597 -2.886
231 HD2 PHE 33 HD1 PHE 33 -5.533 0.303 -4.911
232 HE1 PHE 33 HE2 PHE 33 -3.002 1.306 -0.775
233 HE2 PHE 33 HE1 PHE 33 -6.081 -0.833 -2.822
234 HZ PHE 33 HZ PHE 33 -4.707 -0.331 -0.704
235 H THR 34 H THR 34 -6.431 2.490 -5.603
236 HA THR 34 HA THR 34 -7.998 4.188 -3.659
237 HB THR 34 HB THR 34 -10.036 3.304 -4.787
238 HG1 THR 34 HG1 THR 34 -9.781 1.816 -6.140
239 HG21 THR 34 HG21 THR 34 -8.180 4.844 -6.625
240 HG22 THR 34 HG22 THR 34 -9.090 5.561 -5.275
241 HG23 THR 34 HG23 THR 34 -9.950 4.838 -6.647
242 H TYR 35 H TYR 35 -8.741 3.355 -1.735
243 HA TYR 35 HA TYR 35 -8.648 0.415 -1.441
244 HB2 TYR 35 HB2 TYR 35 -6.979 1.806 -0.126
245 HB3 TYR 35 HB3 TYR 35 -8.331 2.342 0.845
246 HD1 TYR 35 HD1 TYR 35 -6.913 -0.891 -0.533
247 HD2 TYR 35 HD2 TYR 35 -8.540 1.176 2.880
248 HE1 TYR 35 HE1 TYR 35 -6.199 -2.752 0.925
249 HE2 TYR 35 HE2 TYR 35 -7.895 -0.721 4.332
250 HH TYR 35 HH TYR 35 -5.567 -3.085 3.410
251 H SER 36 H SER 36 -10.066 -0.017 0.884
252 HA SER 36 HA SER 36 -12.617 1.409 0.699
253 HB2 SER 36 HB2 SER 36 -12.772 -0.530 -0.831
254 HB3 SER 36 HB3 SER 36 -12.338 -1.619 0.503
255 HG SER 36 HG SER 36 -14.676 -1.151 -0.167
256 H GLY 37 H GLY 37 -14.045 0.444 2.566
257 HA2 GLY 37 HA2 GLY 37 -12.529 0.846 5.036
258 HA3 GLY 37 HA3 GLY 37 -14.260 0.622 4.877
259 H CYS 38 H CYS 38 -14.764 -1.671 3.814
260 HA CYS 38 HA CYS 38 -14.054 -3.714 5.669
261 HB2 CYS 38 HB2 CYS 38 -15.198 -3.895 2.863
262 HB3 CYS 38 HB3 CYS 38 -15.276 -5.182 4.057
263 H GLY 39 H GLY 39 -13.340 -5.891 4.882
264 HA2 GLY 39 HA2 GLY 39 -11.552 -7.219 4.460
265 HA3 GLY 39 HA3 GLY 39 -11.925 -6.786 2.795
266 H GLY 40 H GLY 40 -10.273 -6.079 1.646
267 HA2 GLY 40 HA2 GLY 40 -8.300 -5.017 1.065
268 HA3 GLY 40 HA3 GLY 40 -8.437 -4.094 2.559
269 H ASN 41 H ASN 41 -5.928 -4.774 1.886
270 HA ASN 41 HA ASN 41 -5.213 -6.793 3.935
271 HB2 ASN 41 HB2 ASN 41 -4.136 -6.836 1.080
272 HB3 ASN 41 HB3 ASN 41 -3.225 -7.446 2.429
273 HD21 ASN 41 HD21 ASN 41 -5.333 -8.571 0.108
274 HD22 ASN 41 HD22 ASN 41 -5.919 -9.976 0.987
275 H ALA 42 H ALA 42 -2.894 -6.612 4.525
276 HA ALA 42 HA ALA 42 -2.290 -4.137 5.549
277 HB1 ALA 42 HB1 ALA 42 -0.159 -5.092 6.167
278 HB2 ALA 42 HB2 ALA 42 -1.404 -6.355 6.306
279 HB3 ALA 42 HB3 ALA 42 -0.293 -6.321 4.903
280 H ASN 43 H ASN 43 -1.720 -5.013 2.206
281 HA ASN 43 HA ASN 43 0.624 -3.473 1.716
282 HB2 ASN 43 HB2 ASN 43 0.286 -4.757 -0.074
283 HB3 ASN 43 HB3 ASN 43 -1.446 -4.902 0.201
284 HD21 ASN 43 HD21 ASN 43 0.843 -3.619 -1.968
285 HD22 ASN 43 HD22 ASN 43 -0.387 -2.739 -2.861
286 H ARG 44 H ARG 44 -2.373 -2.314 2.776
287 HA ARG 44 HA ARG 44 -2.289 0.191 1.259
288 HB2 ARG 44 HB2 ARG 44 -4.403 -0.870 1.777
289 HB3 ARG 44 HB3 ARG 44 -4.069 -0.864 3.509
290 HG2 ARG 44 HG2 ARG 44 -3.899 1.837 2.338
291 HG3 ARG 44 HG3 ARG 44 -5.436 1.081 1.993
292 HD2 ARG 44 HD2 ARG 44 -5.613 0.541 4.482
293 HD3 ARG 44 HD3 ARG 44 -4.224 1.610 4.724
294 HE ARG 44 HE ARG 44 -5.833 3.246 3.334
295 HH11 ARG 44 HH11 ARG 44 -6.874 1.067 5.992
296 HH12 ARG 44 HH12 ARG 44 -8.141 2.151 6.470
297 HH21 ARG 44 HH21 ARG 44 -7.397 4.633 4.096
298 HH22 ARG 44 HH22 ARG 44 -8.643 4.061 5.169
299 H PHE 45 H PHE 45 -1.420 2.037 1.965
300 HA PHE 45 HA PHE 45 -0.624 2.375 4.814
301 HB2 PHE 45 HB2 PHE 45 0.934 3.506 2.463
302 HB3 PHE 45 HB3 PHE 45 1.440 3.408 4.143
303 HD1 PHE 45 HD1 PHE 45 1.333 0.866 5.131
304 HD2 PHE 45 HD2 PHE 45 1.671 1.907 0.957
305 HE1 PHE 45 HE1 PHE 45 1.866 -1.474 4.568
306 HE2 PHE 45 HE2 PHE 45 2.317 -0.406 0.441
307 HZ PHE 45 HZ PHE 45 2.377 -2.086 2.216
308 H ARG 46 H ARG 46 -0.111 4.753 5.168
309 HA ARG 46 HA ARG 46 -2.363 6.388 4.103
310 HB2 ARG 46 HB2 ARG 46 -1.649 7.886 6.129
311 HB3 ARG 46 HB3 ARG 46 -2.681 6.485 6.324
312 HG2 ARG 46 HG2 ARG 46 -1.033 6.687 8.123
313 HG3 ARG 46 HG3 ARG 46 -0.944 5.158 7.266
314 HD2 ARG 46 HD2 ARG 46 1.279 5.928 7.769
315 HD3 ARG 46 HD3 ARG 46 1.073 5.966 6.036
316 HE ARG 46 HE ARG 46 0.869 8.356 6.068
317 HH11 ARG 46 HH11 ARG 46 2.175 6.901 9.068
318 HH12 ARG 46 HH12 ARG 46 2.865 8.368 9.606
319 HH21 ARG 46 HH21 ARG 46 1.558 10.399 6.987
320 HH22 ARG 46 HH22 ARG 46 2.396 10.349 8.508
321 H THR 47 H THR 47 1.096 6.028 3.790
322 HA THR 47 HA THR 47 1.104 8.159 1.985
323 HB THR 47 HB THR 47 1.333 9.477 4.131
324 HG1 THR 47 HG1 THR 47 3.015 10.709 3.206
325 HG21 THR 47 HG21 THR 47 3.382 9.368 5.413
326 HG22 THR 47 HG22 THR 47 4.135 8.379 4.196
327 HG23 THR 47 HG23 THR 47 2.943 7.640 5.197
328 H ILE 48 H ILE 48 3.047 8.315 0.779
329 HA ILE 48 HA ILE 48 4.368 5.785 0.383
330 HB ILE 48 HB ILE 48 4.233 7.141 -1.531
331 HG12 ILE 48 HG12 ILE 48 7.141 7.396 -0.569
332 HG13 ILE 48 HG13 ILE 48 6.425 5.922 -1.090
333 HG21 ILE 48 HG21 ILE 48 5.595 9.422 -0.009
334 HG22 ILE 48 HG22 ILE 48 5.150 9.454 -1.724
335 HG23 ILE 48 HG23 ILE 48 3.892 9.384 -0.500
336 HD11 ILE 48 HD11 ILE 48 6.864 8.360 -2.830
337 HD12 ILE 48 HD12 ILE 48 7.569 6.738 -2.988
338 HD13 ILE 48 HD13 ILE 48 5.850 6.994 -3.327
339 H ASP 49 H ASP 49 4.930 8.726 2.285
340 HA ASP 49 HA ASP 49 7.696 8.402 2.789
341 HB2 ASP 49 HB2 ASP 49 5.494 9.950 4.026
342 HB3 ASP 49 HB3 ASP 49 6.765 9.443 5.145
343 H GLU 50 H GLU 50 4.865 7.168 4.783
344 HA GLU 50 HA GLU 50 6.613 5.715 6.476
345 HB2 GLU 50 HB2 GLU 50 4.234 6.348 6.971
346 HB3 GLU 50 HB3 GLU 50 3.706 5.154 5.781
347 HG2 GLU 50 HG2 GLU 50 3.552 4.332 8.141
348 HG3 GLU 50 HG3 GLU 50 4.576 3.323 7.121
349 H CYS 51 H CYS 51 4.875 4.828 3.476
350 HA CYS 51 HA CYS 51 5.452 2.073 3.521
351 HB2 CYS 51 HB2 CYS 51 3.846 2.947 2.055
352 HB3 CYS 51 HB3 CYS 51 5.002 4.079 1.334
353 H ASN 52 H ASN 52 7.402 4.793 2.282
354 HA ASN 52 HA ASN 52 9.321 2.938 1.160
355 HB2 ASN 52 HB2 ASN 52 10.451 4.648 0.218
356 HB3 ASN 52 HB3 ASN 52 8.833 5.300 0.317
357 HD21 ASN 52 HD21 ASN 52 8.672 7.298 1.191
358 HD22 ASN 52 HD22 ASN 52 10.023 8.168 1.906
359 H ARG 53 H ARG 53 9.150 4.863 3.972
360 HA ARG 53 HA ARG 53 11.714 4.083 5.122
361 HB2 ARG 53 HB2 ARG 53 9.148 4.765 6.618
362 HB3 ARG 53 HB3 ARG 53 10.780 4.781 7.305
363 HG2 ARG 53 HG2 ARG 53 9.950 6.378 4.913
364 HG3 ARG 53 HG3 ARG 53 9.741 7.040 6.544
365 HD2 ARG 53 HD2 ARG 53 12.360 6.270 5.207
366 HD3 ARG 53 HD3 ARG 53 11.775 7.915 5.481
367 HE ARG 53 HE ARG 53 11.751 7.160 7.975
368 HH11 ARG 53 HH11 ARG 53 14.293 6.235 5.643
369 HH12 ARG 53 HH12 ARG 53 15.421 5.813 6.907
370 HH21 ARG 53 HH21 ARG 53 13.321 6.980 9.516
371 HH22 ARG 53 HH22 ARG 53 14.943 6.434 9.133
372 H THR 54 H THR 54 8.532 2.566 5.299
373 HA THR 54 HA THR 54 9.561 0.434 7.046
374 HB THR 54 HB THR 54 7.308 1.694 7.205
375 HG1 THR 54 HG1 THR 54 7.951 -0.221 8.452
376 HG21 THR 54 HG21 THR 54 6.134 -0.577 5.606
377 HG22 THR 54 HG22 THR 54 6.693 0.867 4.751
378 HG23 THR 54 HG23 THR 54 5.458 1.033 6.000
379 H CYS 55 H CYS 55 9.318 0.978 3.627
380 HA CYS 55 HA CYS 55 9.882 -1.997 3.277
381 HB2 CYS 55 HB2 CYS 55 7.884 -0.569 1.514
382 HB3 CYS 55 HB3 CYS 55 8.308 -2.272 1.500
383 H VAL 56 H VAL 56 10.733 1.126 2.080
384 HA VAL 56 HA VAL 56 11.812 -0.040 -0.442
385 HB VAL 56 HB VAL 56 11.487 2.745 0.614
386 HG11 VAL 56 HG11 VAL 56 13.606 2.865 -0.492
387 HG12 VAL 56 HG12 VAL 56 12.901 2.097 -1.938
388 HG13 VAL 56 HG13 VAL 56 12.333 3.697 -1.377
389 HG21 VAL 56 HG21 VAL 56 10.460 1.318 -1.871
390 HG22 VAL 56 HG22 VAL 56 9.504 1.586 -0.415
391 HG23 VAL 56 HG23 VAL 56 10.036 2.969 -1.370
392 H GLY 57 H GLY 57 13.267 -1.451 0.362
393 HA2 GLY 57 HA2 GLY 57 15.761 -1.488 0.541
394 HA3 GLY 57 HA3 GLY 57 15.590 -0.353 1.883