Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
644429 | 6qeu RC | 34350 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 H1 LEU 1 -18.963 3.737 -3.158
2 H2 LEU 1 H2 LEU 1 -19.078 4.939 -2.073
3 H3 LEU 1 H3 LEU 1 -19.382 3.409 -1.619
4 HA LEU 1 HA LEU 1 -17.238 4.097 -0.826
5 HB2 LEU 1 HB2 LEU 1 -17.862 1.731 -1.896
6 HB3 LEU 1 HB3 LEU 1 -16.665 2.226 -3.070
7 HG LEU 1 HG LEU 1 -14.979 2.399 -1.341
8 HD11 LEU 1 HD11 LEU 1 -16.366 3.029 0.546
9 HD12 LEU 1 HD12 LEU 1 -15.449 1.576 0.926
10 HD13 LEU 1 HD13 LEU 1 -17.157 1.455 0.515
11 HD21 LEU 1 HD21 LEU 1 -14.810 0.004 -0.798
12 HD22 LEU 1 HD22 LEU 1 -15.217 0.291 -2.488
13 HD23 LEU 1 HD23 LEU 1 -16.469 -0.216 -1.355
14 HA PRO 2 HA PRO 2 -14.970 7.017 -3.283
15 HB2 PRO 2 HB2 PRO 2 -12.551 5.610 -2.261
16 HB3 PRO 2 HB3 PRO 2 -12.959 7.329 -2.224
17 HG2 PRO 2 HG2 PRO 2 -13.153 5.862 -0.020
18 HG3 PRO 2 HG3 PRO 2 -14.386 7.090 -0.404
19 HD2 PRO 2 HD2 PRO 2 -14.508 4.116 -0.701
20 HD3 PRO 2 HD3 PRO 2 -15.767 5.242 -0.169
21 H ARG 3 H ARG 3 -13.748 7.171 -5.153
22 HA ARG 3 HA ARG 3 -14.543 5.434 -7.100
23 HB2 ARG 3 HB2 ARG 3 -13.739 7.770 -7.406
24 HB3 ARG 3 HB3 ARG 3 -12.089 7.189 -7.233
25 HG2 ARG 3 HG2 ARG 3 -12.457 5.730 -9.211
26 HG3 ARG 3 HG3 ARG 3 -14.040 6.488 -9.414
27 HD2 ARG 3 HD2 ARG 3 -12.917 8.688 -9.573
28 HD3 ARG 3 HD3 ARG 3 -11.361 7.866 -9.488
29 HE ARG 3 HE ARG 3 -13.200 7.093 -11.619
30 HH11 ARG 3 HH11 ARG 3 -10.275 8.750 -10.636
31 HH12 ARG 3 HH12 ARG 3 -9.688 8.940 -12.257
32 HH21 ARG 3 HH21 ARG 3 -12.429 7.331 -13.749
33 HH22 ARG 3 HH22 ARG 3 -10.915 8.133 -14.029
34 H ASP 4 H ASP 4 -11.427 5.358 -5.424
35 HA ASP 4 HA ASP 4 -10.614 3.113 -7.159
36 HB2 ASP 4 HB2 ASP 4 -8.901 5.003 -5.546
37 HB3 ASP 4 HB3 ASP 4 -8.299 3.670 -6.522
38 H THR 5 H THR 5 -11.957 3.486 -4.206
39 HA THR 5 HA THR 5 -10.156 2.046 -2.554
40 HB THR 5 HB THR 5 -13.137 2.421 -2.251
41 HG1 THR 5 HG1 THR 5 -11.713 3.749 -0.448
42 HG21 THR 5 HG21 THR 5 -12.335 0.464 -1.004
43 HG22 THR 5 HG22 THR 5 -12.784 1.777 0.088
44 HG23 THR 5 HG23 THR 5 -11.083 1.456 -0.256
45 H SER 6 H SER 6 -13.162 0.999 -4.195
46 HA SER 6 HA SER 6 -13.014 -1.681 -3.407
47 HB2 SER 6 HB2 SER 6 -15.020 -0.603 -4.384
48 HB3 SER 6 HB3 SER 6 -14.224 -0.602 -5.955
49 HG SER 6 HG SER 6 -14.962 -2.544 -6.174
50 H ARG 7 H ARG 7 -11.746 0.012 -6.203
51 HA ARG 7 HA ARG 7 -10.494 -2.038 -7.594
52 HB2 ARG 7 HB2 ARG 7 -10.461 0.023 -8.661
53 HB3 ARG 7 HB3 ARG 7 -10.001 0.885 -7.203
54 HG2 ARG 7 HG2 ARG 7 -7.772 -0.541 -7.559
55 HG3 ARG 7 HG3 ARG 7 -8.318 -0.441 -9.237
56 HD2 ARG 7 HD2 ARG 7 -8.437 1.987 -9.060
57 HD3 ARG 7 HD3 ARG 7 -7.950 1.895 -7.365
58 HE ARG 7 HE ARG 7 -6.004 0.620 -8.906
59 HH11 ARG 7 HH11 ARG 7 -7.295 3.855 -8.526
60 HH12 ARG 7 HH12 ARG 7 -5.771 4.626 -8.829
61 HH21 ARG 7 HH21 ARG 7 -4.005 1.643 -9.329
62 HH22 ARG 7 HH22 ARG 7 -3.905 3.376 -9.293
63 H CYS 8 H CYS 8 -9.259 -0.038 -4.954
64 HA CYS 8 HA CYS 8 -6.635 -1.085 -5.017
65 HB2 CYS 8 HB2 CYS 8 -7.533 1.144 -4.080
66 HB3 CYS 8 HB3 CYS 8 -7.870 0.215 -2.626
67 H VAL 9 H VAL 9 -9.533 -2.014 -3.294
68 HA VAL 9 HA VAL 9 -8.546 -3.467 -1.174
69 HB VAL 9 HB VAL 9 -10.925 -4.160 -2.903
70 HG11 VAL 9 HG11 VAL 9 -10.261 -6.082 -1.562
71 HG12 VAL 9 HG12 VAL 9 -11.764 -5.391 -0.952
72 HG13 VAL 9 HG13 VAL 9 -10.244 -5.082 -0.111
73 HG21 VAL 9 HG21 VAL 9 -10.714 -2.568 -0.360
74 HG22 VAL 9 HG22 VAL 9 -12.215 -2.999 -1.180
75 HG23 VAL 9 HG23 VAL 9 -11.050 -1.937 -1.971
76 H GLY 10 H GLY 10 -8.877 -4.504 -4.531
77 HA2 GLY 10 HA2 GLY 10 -7.828 -7.142 -3.946
78 HA3 GLY 10 HA3 GLY 10 -8.236 -6.509 -5.533
79 H TYR 11 H TYR 11 -6.498 -4.079 -4.750
80 HA TYR 11 HA TYR 11 -4.107 -5.246 -5.954
81 HB2 TYR 11 HB2 TYR 11 -5.148 -2.445 -5.723
82 HB3 TYR 11 HB3 TYR 11 -3.481 -2.774 -6.182
83 HD1 TYR 11 HD1 TYR 11 -6.598 -2.075 -7.463
84 HD2 TYR 11 HD2 TYR 11 -3.343 -4.737 -8.053
85 HE1 TYR 11 HE1 TYR 11 -7.324 -2.432 -9.782
86 HE2 TYR 11 HE2 TYR 11 -4.053 -5.105 -10.368
87 HH TYR 11 HH TYR 11 -6.333 -3.142 -11.927
88 H HIS 12 H HIS 12 -4.710 -2.729 -3.495
89 HA HIS 12 HA HIS 12 -2.163 -3.535 -2.251
90 HB2 HIS 12 HB2 HIS 12 -3.103 -0.691 -2.116
91 HB3 HIS 12 HB3 HIS 12 -1.467 -1.331 -1.999
92 HD1 HIS 12 HD1 HIS 12 -3.551 0.496 -4.212
93 HD2 HIS 12 HD2 HIS 12 -0.620 -2.407 -4.695
94 HE1 HIS 12 HE1 HIS 12 -2.841 0.653 -6.615
95 HE2 HIS 12 HE2 HIS 12 -0.837 -0.874 -6.774
96 H GLY 13 H GLY 13 -5.195 -3.952 -1.755
97 HA2 GLY 13 HA2 GLY 13 -5.900 -4.831 0.344
98 HA3 GLY 13 HA3 GLY 13 -4.855 -3.672 1.146
99 H TYR 14 H TYR 14 -6.880 -3.414 2.431
100 HA TYR 14 HA TYR 14 -9.120 -2.111 1.168
101 HB2 TYR 14 HB2 TYR 14 -10.000 -1.911 3.480
102 HB3 TYR 14 HB3 TYR 14 -9.544 -3.559 3.072
103 HD1 TYR 14 HD1 TYR 14 -7.876 -4.707 4.314
104 HD2 TYR 14 HD2 TYR 14 -8.532 -0.558 4.975
105 HE1 TYR 14 HE1 TYR 14 -6.482 -4.812 6.336
106 HE2 TYR 14 HE2 TYR 14 -7.137 -0.653 6.995
107 HH TYR 14 HH TYR 14 -6.379 -2.275 8.615
108 H CYS 15 H CYS 15 -9.861 -0.012 2.637
109 HA CYS 15 HA CYS 15 -7.514 1.741 2.662
110 HB2 CYS 15 HB2 CYS 15 -8.681 1.774 0.430
111 HB3 CYS 15 HB3 CYS 15 -10.056 2.499 1.251
112 H ILE 16 H ILE 16 -7.453 2.423 4.640
113 HA ILE 16 HA ILE 16 -9.904 3.217 6.031
114 HB ILE 16 HB ILE 16 -8.539 3.321 8.081
115 HG12 ILE 16 HG12 ILE 16 -6.344 2.292 6.280
116 HG13 ILE 16 HG13 ILE 16 -6.352 3.794 7.187
117 HG21 ILE 16 HG21 ILE 16 -8.209 0.875 8.318
118 HG22 ILE 16 HG22 ILE 16 -8.509 0.715 6.586
119 HG23 ILE 16 HG23 ILE 16 -9.775 1.330 7.647
120 HD11 ILE 16 HD11 ILE 16 -6.294 1.027 8.369
121 HD12 ILE 16 HD12 ILE 16 -6.297 2.540 9.277
122 HD13 ILE 16 HD13 ILE 16 -4.928 2.136 8.240
123 H ARG 17 H ARG 17 -9.110 5.175 7.690
124 HA ARG 17 HA ARG 17 -8.822 7.348 5.852
125 HB2 ARG 17 HB2 ARG 17 -10.268 7.588 7.777
126 HB3 ARG 17 HB3 ARG 17 -8.928 7.278 8.873
127 HG2 ARG 17 HG2 ARG 17 -7.846 9.353 8.085
128 HG3 ARG 17 HG3 ARG 17 -9.260 9.672 7.076
129 HD2 ARG 17 HD2 ARG 17 -9.277 9.371 10.076
130 HD3 ARG 17 HD3 ARG 17 -9.337 10.901 9.202
131 HE ARG 17 HE ARG 17 -11.441 9.589 8.181
132 HH11 ARG 17 HH11 ARG 17 -10.421 10.162 11.478
133 HH12 ARG 17 HH12 ARG 17 -12.034 10.131 12.117
134 HH21 ARG 17 HH21 ARG 17 -13.563 9.547 9.017
135 HH22 ARG 17 HH22 ARG 17 -13.819 9.773 10.718
136 H SER 18 H SER 18 -6.709 5.902 8.342
137 HA SER 18 HA SER 18 -4.626 7.807 7.507
138 HB2 SER 18 HB2 SER 18 -5.289 6.888 10.308
139 HB3 SER 18 HB3 SER 18 -3.917 7.910 9.880
140 HG SER 18 HG SER 18 -5.457 9.433 9.058
141 H LYS 19 H LYS 19 -2.428 7.072 8.481
142 HA LYS 19 HA LYS 19 -1.879 4.546 7.231
143 HB2 LYS 19 HB2 LYS 19 -0.053 6.502 8.630
144 HB3 LYS 19 HB3 LYS 19 0.469 5.137 7.656
145 HG2 LYS 19 HG2 LYS 19 0.667 7.055 6.342
146 HG3 LYS 19 HG3 LYS 19 -0.713 6.184 5.714
147 HD2 LYS 19 HD2 LYS 19 -2.172 7.724 7.009
148 HD3 LYS 19 HD3 LYS 19 -0.736 8.626 7.489
149 HE2 LYS 19 HE2 LYS 19 -1.674 8.193 4.661
150 HE3 LYS 19 HE3 LYS 19 -1.918 9.662 5.603
151 HZ1 LYS 19 HZ1 LYS 19 0.491 9.859 5.731
152 HZ2 LYS 19 HZ2 LYS 19 -0.030 9.901 4.193
153 HZ3 LYS 19 HZ3 LYS 19 0.666 8.554 4.772
154 H VAL 20 H VAL 20 -3.313 4.790 9.792
155 HA VAL 20 HA VAL 20 -1.663 3.622 11.840
156 HB VAL 20 HB VAL 20 -4.666 3.625 11.892
157 HG11 VAL 20 HG11 VAL 20 -3.520 2.489 13.710
158 HG12 VAL 20 HG12 VAL 20 -4.327 3.945 14.295
159 HG13 VAL 20 HG13 VAL 20 -2.581 3.944 14.045
160 HG21 VAL 20 HG21 VAL 20 -4.611 5.895 12.809
161 HG22 VAL 20 HG22 VAL 20 -4.018 5.843 11.150
162 HG23 VAL 20 HG23 VAL 20 -2.879 5.977 12.490
163 H CYS 21 H CYS 21 -1.737 2.162 9.379
164 HA CYS 21 HA CYS 21 -3.460 -0.027 9.351
165 HB2 CYS 21 HB2 CYS 21 -0.600 0.089 8.382
166 HB3 CYS 21 HB3 CYS 21 -1.851 -1.023 7.829
167 HA PRO 22 HA PRO 22 -1.877 -2.509 12.728
168 HB2 PRO 22 HB2 PRO 22 -3.223 -4.779 12.121
169 HB3 PRO 22 HB3 PRO 22 -4.010 -3.381 12.863
170 HG2 PRO 22 HG2 PRO 22 -3.980 -4.239 9.998
171 HG3 PRO 22 HG3 PRO 22 -5.330 -3.624 10.970
172 HD2 PRO 22 HD2 PRO 22 -3.945 -2.079 9.216
173 HD3 PRO 22 HD3 PRO 22 -4.699 -1.432 10.686
174 H LYS 23 H LYS 23 -1.134 -5.041 12.714
175 HA LYS 23 HA LYS 23 0.666 -5.267 10.409
176 HB2 LYS 23 HB2 LYS 23 2.210 -4.881 12.022
177 HB3 LYS 23 HB3 LYS 23 1.146 -5.404 13.315
178 HG2 LYS 23 HG2 LYS 23 2.293 -7.450 11.487
179 HG3 LYS 23 HG3 LYS 23 3.319 -6.729 12.729
180 HD2 LYS 23 HD2 LYS 23 1.754 -7.398 14.453
181 HD3 LYS 23 HD3 LYS 23 0.646 -8.033 13.235
182 HE2 LYS 23 HE2 LYS 23 1.919 -9.834 14.279
183 HE3 LYS 23 HE3 LYS 23 2.334 -9.683 12.571
184 HZ1 LYS 23 HZ1 LYS 23 4.282 -9.954 13.928
185 HZ2 LYS 23 HZ2 LYS 23 3.920 -8.634 14.804
186 HZ3 LYS 23 HZ3 LYS 23 4.302 -8.481 13.231
187 HA PRO 24 HA PRO 24 1.891 -6.463 9.492
188 HB2 PRO 24 HB2 PRO 24 2.220 -8.129 7.441
189 HB3 PRO 24 HB3 PRO 24 2.786 -8.566 9.059
190 HG2 PRO 24 HG2 PRO 24 0.339 -9.460 7.599
191 HG3 PRO 24 HG3 PRO 24 1.426 -10.395 8.639
192 HD2 PRO 24 HD2 PRO 24 -1.013 -9.286 9.418
193 HD3 PRO 24 HD3 PRO 24 0.271 -9.817 10.519
194 H PHE 25 H PHE 25 0.766 -4.648 8.788
195 HA PHE 25 HA PHE 25 -0.366 -4.872 6.109
196 HB2 PHE 25 HB2 PHE 25 -1.758 -3.604 8.468
197 HB3 PHE 25 HB3 PHE 25 -2.154 -3.181 6.807
198 HD1 PHE 25 HD1 PHE 25 -3.588 -4.507 5.550
199 HD2 PHE 25 HD2 PHE 25 -2.017 -5.987 9.213
200 HE1 PHE 25 HE1 PHE 25 -5.123 -6.425 5.425
201 HE2 PHE 25 HE2 PHE 25 -3.560 -7.905 9.101
202 HZ PHE 25 HZ PHE 25 -5.105 -8.120 7.197
203 H ALA 26 H ALA 26 0.221 -3.252 4.809
204 HA ALA 26 HA ALA 26 1.958 -1.221 6.045
205 HB1 ALA 26 HB1 ALA 26 1.993 -2.142 3.177
206 HB2 ALA 26 HB2 ALA 26 3.007 -2.838 4.442
207 HB3 ALA 26 HB3 ALA 26 3.188 -1.138 3.997
208 H ALA 27 H ALA 27 1.392 0.860 5.911
209 HA ALA 27 HA ALA 27 -0.846 1.865 4.590
210 HB1 ALA 27 HB1 ALA 27 0.261 3.063 6.398
211 HB2 ALA 27 HB2 ALA 27 0.204 4.068 4.949
212 HB3 ALA 27 HB3 ALA 27 1.704 3.263 5.405
213 H PHE 28 H PHE 28 -0.909 1.109 2.516
214 HA PHE 28 HA PHE 28 1.357 1.513 0.752
215 HB2 PHE 28 HB2 PHE 28 -0.756 -0.374 0.953
216 HB3 PHE 28 HB3 PHE 28 -0.964 0.463 -0.573
217 HD1 PHE 28 HD1 PHE 28 1.341 0.791 -1.899
218 HD2 PHE 28 HD2 PHE 28 0.498 -2.263 0.936
219 HE1 PHE 28 HE1 PHE 28 3.084 -0.622 -2.908
220 HE2 PHE 28 HE2 PHE 28 2.235 -3.682 -0.065
221 HZ PHE 28 HZ PHE 28 3.536 -2.860 -1.988
222 H GLY 29 H GLY 29 1.358 3.731 0.661
223 HA2 GLY 29 HA2 GLY 29 0.777 5.826 -0.054
224 HA3 GLY 29 HA3 GLY 29 0.226 4.979 -1.482
225 H THR 30 H THR 30 -1.619 5.790 -2.023
226 HA THR 30 HA THR 30 -3.774 5.843 -0.035
227 HB THR 30 HB THR 30 -4.646 7.925 -1.099
228 HG1 THR 30 HG1 THR 30 -2.715 7.354 -2.888
229 HG21 THR 30 HG21 THR 30 -1.860 8.037 0.059
230 HG22 THR 30 HG22 THR 30 -3.392 8.246 0.911
231 HG23 THR 30 HG23 THR 30 -2.845 9.468 -0.235
232 H CYS 31 H CYS 31 -5.834 5.271 -0.918
233 HA CYS 31 HA CYS 31 -5.594 3.685 -3.321
234 HB2 CYS 31 HB2 CYS 31 -7.933 3.012 -2.830
235 HB3 CYS 31 HB3 CYS 31 -6.843 2.752 -1.473
236 H SER 32 H SER 32 -8.146 5.979 -2.372
237 HA SER 32 HA SER 32 -8.257 6.851 -5.176
238 HB2 SER 32 HB2 SER 32 -10.292 5.702 -4.062
239 HB3 SER 32 HB3 SER 32 -10.479 7.211 -3.172
240 HG SER 32 HG SER 32 -10.200 7.283 -5.971
241 H TRP 33 H TRP 33 -9.286 8.187 -2.046
242 HA TRP 33 HA TRP 33 -8.230 10.785 -2.820
243 HB2 TRP 33 HB2 TRP 33 -9.458 10.180 -0.141
244 HB3 TRP 33 HB3 TRP 33 -9.450 11.692 -1.032
245 HD1 TRP 33 HD1 TRP 33 -11.979 9.837 0.197
246 HE1 TRP 33 HE1 TRP 33 -13.996 9.489 -1.361
247 HE3 TRP 33 HE3 TRP 33 -9.758 10.944 -4.268
248 HZ2 TRP 33 HZ2 TRP 33 -14.565 9.661 -4.107
249 HZ3 TRP 33 HZ3 TRP 33 -11.123 10.828 -6.317
250 HH2 TRP 33 HH2 TRP 33 -13.466 10.204 -6.237
251 H ARG 34 H ARG 34 -6.584 11.830 -1.667
252 HA ARG 34 HA ARG 34 -4.578 10.193 -0.511
253 HB2 ARG 34 HB2 ARG 34 -4.190 12.379 -1.679
254 HB3 ARG 34 HB3 ARG 34 -4.895 13.193 -0.292
255 HG2 ARG 34 HG2 ARG 34 -2.620 11.346 0.135
256 HG3 ARG 34 HG3 ARG 34 -2.315 12.935 -0.545
257 HD2 ARG 34 HD2 ARG 34 -3.347 13.979 1.391
258 HD3 ARG 34 HD3 ARG 34 -3.739 12.393 2.055
259 HE ARG 34 HE ARG 34 -0.928 12.935 1.519
260 HH11 ARG 34 HH11 ARG 34 -3.501 12.816 3.887
261 HH12 ARG 34 HH12 ARG 34 -2.422 12.679 5.236
262 HH21 ARG 34 HH21 ARG 34 0.490 12.747 3.277
263 HH22 ARG 34 HH22 ARG 34 -0.144 12.632 4.889
264 H GLN 35 H GLN 35 -7.232 11.961 0.645
265 HA GLN 35 HA GLN 35 -6.842 12.271 3.334
266 HB2 GLN 35 HB2 GLN 35 -9.419 11.331 2.070
267 HB3 GLN 35 HB3 GLN 35 -9.245 12.214 3.581
268 HG2 GLN 35 HG2 GLN 35 -8.270 14.089 2.277
269 HG3 GLN 35 HG3 GLN 35 -8.685 13.217 0.810
270 HE21 GLN 35 HE21 GLN 35 -10.820 13.057 0.182
271 HE22 GLN 35 HE22 GLN 35 -12.077 14.007 0.894
272 H LYS 36 H LYS 36 -7.383 9.290 1.618
273 HA LYS 36 HA LYS 36 -7.376 7.859 4.196
274 HB2 LYS 36 HB2 LYS 36 -8.409 5.974 2.796
275 HB3 LYS 36 HB3 LYS 36 -9.427 7.341 3.204
276 HG2 LYS 36 HG2 LYS 36 -8.752 8.299 0.945
277 HG3 LYS 36 HG3 LYS 36 -8.127 6.687 0.601
278 HD2 LYS 36 HD2 LYS 36 -10.338 6.927 -0.310
279 HD3 LYS 36 HD3 LYS 36 -10.346 5.755 1.007
280 HE2 LYS 36 HE2 LYS 36 -11.034 8.602 1.569
281 HE3 LYS 36 HE3 LYS 36 -12.231 7.565 0.794
282 HZ1 LYS 36 HZ1 LYS 36 -11.929 6.045 2.686
283 HZ2 LYS 36 HZ2 LYS 36 -12.539 7.484 3.119
284 HZ3 LYS 36 HZ3 LYS 36 -10.983 7.150 3.417
285 H THR 37 H THR 37 -6.462 5.629 4.041
286 HA THR 37 HA THR 37 -4.042 5.604 2.348
287 HB THR 37 HB THR 37 -4.292 4.586 5.193
288 HG1 THR 37 HG1 THR 37 -4.226 7.003 4.641
289 HG21 THR 37 HG21 THR 37 -1.859 4.891 3.422
290 HG22 THR 37 HG22 THR 37 -2.636 3.365 3.843
291 HG23 THR 37 HG23 THR 37 -1.859 4.332 5.095
292 H CYS 38 H CYS 38 -3.538 3.642 1.374
293 HA CYS 38 HA CYS 38 -5.596 1.583 1.543
294 HB2 CYS 38 HB2 CYS 38 -4.518 2.498 -0.631
295 HB3 CYS 38 HB3 CYS 38 -3.132 1.508 -0.195
296 H CYS 39 H CYS 39 -5.182 -0.497 2.363
297 HA CYS 39 HA CYS 39 -2.544 -0.935 3.564
298 HB2 CYS 39 HB2 CYS 39 -5.155 -1.111 5.075
299 HB3 CYS 39 HB3 CYS 39 -3.579 -1.582 5.699
300 H VAL 40 H VAL 40 -1.881 -2.842 2.858
301 HA VAL 40 HA VAL 40 -3.891 -4.982 2.588
302 HB VAL 40 HB VAL 40 -2.836 -4.110 0.450
303 HG11 VAL 40 HG11 VAL 40 -0.560 -3.881 1.218
304 HG12 VAL 40 HG12 VAL 40 -0.655 -4.950 -0.181
305 HG13 VAL 40 HG13 VAL 40 -0.444 -5.626 1.436
306 HG21 VAL 40 HG21 VAL 40 -2.608 -7.044 1.071
307 HG22 VAL 40 HG22 VAL 40 -2.653 -6.335 -0.549
308 HG23 VAL 40 HG23 VAL 40 -4.049 -6.190 0.518
309 H ASP 41 H ASP 41 -3.305 -7.075 3.213
310 HA ASP 41 HA ASP 41 -1.623 -7.281 5.479
311 HB2 ASP 41 HB2 ASP 41 -3.542 -8.747 5.177
312 HB3 ASP 41 HB3 ASP 41 -2.833 -9.414 3.718
313 H THR 42 H THR 42 0.411 -6.660 4.985
314 HA THR 42 HA THR 42 1.689 -7.615 2.591
315 HB THR 42 HB THR 42 3.574 -6.119 3.403
316 HG1 THR 42 HG1 THR 42 2.388 -6.290 5.666
317 HG21 THR 42 HG21 THR 42 2.268 -4.028 2.968
318 HG22 THR 42 HG22 THR 42 0.797 -4.990 3.029
319 HG23 THR 42 HG23 THR 42 1.999 -5.292 1.777
320 H THR 43 H THR 43 1.877 -9.833 3.041
321 HA THR 43 HA THR 43 3.852 -10.524 5.102
322 HB THR 43 HB THR 43 2.861 -12.905 4.583
323 HG1 THR 43 HG1 THR 43 0.472 -11.481 4.179
324 HG21 THR 43 HG21 THR 43 1.366 -10.815 6.151
325 HG22 THR 43 HG22 THR 43 2.733 -11.764 6.733
326 HG23 THR 43 HG23 THR 43 1.208 -12.558 6.347
327 H SER 44 H SER 44 2.793 -12.118 2.089
328 HA SER 44 HA SER 44 5.528 -13.075 1.791
329 HB2 SER 44 HB2 SER 44 3.014 -13.905 0.344
330 HB3 SER 44 HB3 SER 44 4.572 -14.728 0.272
331 HG SER 44 HG SER 44 2.831 -15.449 1.858
332 H ASP 45 H ASP 45 3.136 -12.186 -0.714
333 HA ASP 45 HA ASP 45 5.343 -11.433 -2.456
334 HB2 ASP 45 HB2 ASP 45 3.684 -11.467 -4.254
335 HB3 ASP 45 HB3 ASP 45 3.632 -12.963 -3.329
336 H PHE 46 H PHE 46 3.485 -9.965 -0.292
337 HA PHE 46 HA PHE 46 2.412 -7.735 -1.634
338 HB2 PHE 46 HB2 PHE 46 2.902 -8.245 1.287
339 HB3 PHE 46 HB3 PHE 46 1.928 -6.923 0.642
340 HD1 PHE 46 HD1 PHE 46 2.151 -10.544 1.127
341 HD2 PHE 46 HD2 PHE 46 -0.246 -7.327 -0.287
342 HE1 PHE 46 HE1 PHE 46 0.210 -12.042 1.033
343 HE2 PHE 46 HE2 PHE 46 -2.201 -8.821 -0.380
344 HZ PHE 46 HZ PHE 46 -1.974 -11.183 0.280
345 H HIS 47 H HIS 47 5.571 -8.349 -1.042
346 HA HIS 47 HA HIS 47 6.803 -5.960 -0.375
347 HB2 HIS 47 HB2 HIS 47 7.643 -7.888 -2.554
348 HB3 HIS 47 HB3 HIS 47 8.668 -6.651 -1.848
349 HD1 HIS 47 HD1 HIS 47 8.713 -7.033 1.023
350 HD2 HIS 47 HD2 HIS 47 8.207 -10.280 -1.519
351 HE1 HIS 47 HE1 HIS 47 9.409 -9.044 2.351
352 HE2 HIS 47 HE2 HIS 47 9.274 -10.965 0.734
353 H THR 48 H THR 48 4.460 -6.065 -2.491
354 HA THR 48 HA THR 48 4.917 -5.169 -4.974
355 HB THR 48 HB THR 48 2.747 -4.194 -3.174
356 HG1 THR 48 HG1 THR 48 1.956 -6.388 -4.369
357 HG21 THR 48 HG21 THR 48 2.782 -4.809 -6.127
358 HG22 THR 48 HG22 THR 48 2.620 -3.217 -5.377
359 HG23 THR 48 HG23 THR 48 1.335 -4.415 -5.198
360 H CYS 49 H CYS 49 6.095 -3.382 -2.479
361 HA CYS 49 HA CYS 49 5.465 -0.779 -2.599
362 HB2 CYS 49 HB2 CYS 49 7.386 -0.464 -1.488
363 HB3 CYS 49 HB3 CYS 49 7.581 -2.202 -1.623
364 H GLN 50 H GLN 50 7.376 -2.400 -5.135
365 HA GLN 50 HA GLN 50 8.154 -0.075 -6.483
366 HB2 GLN 50 HB2 GLN 50 8.563 -1.562 -8.423
367 HB3 GLN 50 HB3 GLN 50 9.301 -2.118 -6.936
368 HG2 GLN 50 HG2 GLN 50 6.659 -3.177 -7.875
369 HG3 GLN 50 HG3 GLN 50 8.186 -3.839 -8.453
370 HE21 GLN 50 HE21 GLN 50 6.125 -5.151 -6.916
371 HE22 GLN 50 HE22 GLN 50 6.879 -5.684 -5.448
372 H ASP 51 H ASP 51 5.094 -1.672 -6.416
373 HA ASP 51 HA ASP 51 4.041 -0.754 -8.884
374 HB2 ASP 51 HB2 ASP 51 2.950 -2.505 -7.530
375 HB3 ASP 51 HB3 ASP 51 2.588 -1.317 -6.281
376 H LYS 52 H LYS 52 4.365 0.659 -5.724
377 HA LYS 52 HA LYS 52 2.862 3.044 -6.421
378 HB2 LYS 52 HB2 LYS 52 4.472 2.358 -3.958
379 HB3 LYS 52 HB3 LYS 52 3.475 3.788 -4.140
380 HG2 LYS 52 HG2 LYS 52 2.472 0.958 -4.217
381 HG3 LYS 52 HG3 LYS 52 2.408 2.029 -2.818
382 HD2 LYS 52 HD2 LYS 52 1.155 2.788 -5.438
383 HD3 LYS 52 HD3 LYS 52 0.297 1.802 -4.258
384 HE2 LYS 52 HE2 LYS 52 -0.403 3.965 -3.773
385 HE3 LYS 52 HE3 LYS 52 0.862 3.658 -2.590
386 HZ1 LYS 52 HZ1 LYS 52 2.317 5.045 -3.732
387 HZ2 LYS 52 HZ2 LYS 52 0.906 5.853 -3.778
388 HZ3 LYS 52 HZ3 LYS 52 1.419 5.054 -5.094
389 H GLY 53 H GLY 53 5.732 1.969 -7.335
390 HA2 GLY 53 HA2 GLY 53 7.636 2.996 -8.129
391 HA3 GLY 53 HA3 GLY 53 6.925 4.548 -7.699
392 H GLY 54 H GLY 54 7.621 1.712 -5.693
393 HA2 GLY 54 HA2 GLY 54 8.634 3.139 -3.520
394 HA3 GLY 54 HA3 GLY 54 8.961 1.442 -3.848
395 H HIS 55 H HIS 55 10.441 4.205 -3.215
396 HA HIS 55 HA HIS 55 12.436 4.185 -5.326
397 HB2 HIS 55 HB2 HIS 55 11.996 5.964 -2.931
398 HB3 HIS 55 HB3 HIS 55 13.413 6.102 -3.963
399 HD1 HIS 55 HD1 HIS 55 13.188 7.656 -5.880
400 HD2 HIS 55 HD2 HIS 55 9.490 6.366 -4.472
401 HE1 HIS 55 HE1 HIS 55 11.479 8.993 -7.147
402 HE2 HIS 55 HE2 HIS 55 9.260 8.050 -6.431
403 H CYS 56 H CYS 56 14.760 4.427 -4.584
404 HA CYS 56 HA CYS 56 15.313 2.543 -2.402
405 HB2 CYS 56 HB2 CYS 56 16.581 2.676 -5.141
406 HB3 CYS 56 HB3 CYS 56 17.292 1.793 -3.792
407 H VAL 57 H VAL 57 16.438 3.493 -0.855
408 HA VAL 57 HA VAL 57 18.170 5.736 -1.635
409 HB VAL 57 HB VAL 57 17.637 6.875 0.428
410 HG11 VAL 57 HG11 VAL 57 16.236 7.309 -1.499
411 HG12 VAL 57 HG12 VAL 57 15.313 7.450 -0.002
412 HG13 VAL 57 HG13 VAL 57 15.144 6.013 -1.011
413 HG21 VAL 57 HG21 VAL 57 15.877 6.072 1.943
414 HG22 VAL 57 HG22 VAL 57 17.266 4.986 1.899
415 HG23 VAL 57 HG23 VAL 57 15.792 4.568 1.024
416 H SER 58 H SER 58 20.149 5.778 -0.898
417 HA SER 58 HA SER 58 21.266 3.467 0.316
418 HB2 SER 58 HB2 SER 58 23.271 5.274 0.237
419 HB3 SER 58 HB3 SER 58 22.751 4.368 -1.167
420 HG SER 58 HG SER 58 22.905 6.671 -1.493
421 HA PRO 59 HA PRO 59 21.053 4.324 4.573
422 HB2 PRO 59 HB2 PRO 59 23.697 3.932 5.355
423 HB3 PRO 59 HB3 PRO 59 22.464 2.682 5.189
424 HG2 PRO 59 HG2 PRO 59 24.624 3.477 3.302
425 HG3 PRO 59 HG3 PRO 59 23.960 1.871 3.640
426 HD2 PRO 59 HD2 PRO 59 23.329 3.218 1.403
427 HD3 PRO 59 HD3 PRO 59 22.151 2.184 2.233
428 H LYS 60 H LYS 60 22.903 6.387 2.619
429 HA LYS 60 HA LYS 60 23.463 8.207 4.849
430 HB2 LYS 60 HB2 LYS 60 24.773 9.517 3.288
431 HB3 LYS 60 HB3 LYS 60 25.271 7.835 3.204
432 HG2 LYS 60 HG2 LYS 60 24.219 7.521 1.119
433 HG3 LYS 60 HG3 LYS 60 23.305 9.021 1.268
434 HD2 LYS 60 HD2 LYS 60 25.131 9.305 -0.307
435 HD3 LYS 60 HD3 LYS 60 25.401 10.297 1.124
436 HE2 LYS 60 HE2 LYS 60 27.475 9.264 0.501
437 HE3 LYS 60 HE3 LYS 60 26.910 8.526 1.998
438 HZ1 LYS 60 HZ1 LYS 60 27.663 6.848 0.518
439 HZ2 LYS 60 HZ2 LYS 60 26.716 7.373 -0.692
440 HZ3 LYS 60 HZ3 LYS 60 26.046 6.709 0.629
441 H ILE 61 H ILE 61 21.007 7.577 2.668
442 HA ILE 61 HA ILE 61 20.300 10.314 2.041
443 HB ILE 61 HB ILE 61 18.698 7.784 1.634
444 HG12 ILE 61 HG12 ILE 61 20.960 7.880 0.513
445 HG13 ILE 61 HG13 ILE 61 19.588 7.631 -0.558
446 HG21 ILE 61 HG21 ILE 61 17.472 9.087 -0.042
447 HG22 ILE 61 HG22 ILE 61 18.414 10.513 0.387
448 HG23 ILE 61 HG23 ILE 61 17.327 9.789 1.569
449 HD11 ILE 61 HD11 ILE 61 21.162 9.158 -1.539
450 HD12 ILE 61 HD12 ILE 61 21.087 10.203 -0.119
451 HD13 ILE 61 HD13 ILE 61 19.669 10.013 -1.151
452 H ARG 62 H ARG 62 18.671 11.489 2.939
453 HA ARG 62 HA ARG 62 17.469 10.357 5.369
454 HB2 ARG 62 HB2 ARG 62 17.938 13.230 4.559
455 HB3 ARG 62 HB3 ARG 62 16.958 12.767 5.943
456 HG2 ARG 62 HG2 ARG 62 19.042 13.256 6.854
457 HG3 ARG 62 HG3 ARG 62 19.011 11.495 6.752
458 HD2 ARG 62 HD2 ARG 62 21.160 12.315 6.004
459 HD3 ARG 62 HD3 ARG 62 20.283 11.621 4.642
460 HE ARG 62 HE ARG 62 19.892 14.447 4.891
461 HH11 ARG 62 HH11 ARG 62 22.034 11.978 3.619
462 HH12 ARG 62 HH12 ARG 62 22.739 13.032 2.430
463 HH21 ARG 62 HH21 ARG 62 20.823 15.825 3.329
464 HH22 ARG 62 HH22 ARG 62 22.049 15.216 2.265
465 H CYS 63 H CYS 63 15.858 9.268 4.388
466 HA CYS 63 HA CYS 63 13.688 10.878 3.247
467 HB2 CYS 63 HB2 CYS 63 14.797 9.817 1.375
468 HB3 CYS 63 HB3 CYS 63 14.782 8.264 2.197
469 H LEU 64 H LEU 64 11.564 10.009 3.607
470 HA LEU 64 HA LEU 64 11.351 8.415 5.978
471 HB2 LEU 64 HB2 LEU 64 9.371 9.540 4.050
472 HB3 LEU 64 HB3 LEU 64 8.869 8.351 5.236
473 HG LEU 64 HG LEU 64 9.798 9.870 7.015
474 HD11 LEU 64 HD11 LEU 64 10.123 12.214 6.463
475 HD12 LEU 64 HD12 LEU 64 9.883 11.856 4.753
476 HD13 LEU 64 HD13 LEU 64 11.277 11.192 5.606
477 HD21 LEU 64 HD21 LEU 64 7.434 9.699 6.575
478 HD22 LEU 64 HD22 LEU 64 7.560 10.911 5.300
479 HD23 LEU 64 HD23 LEU 64 7.867 11.358 6.979
480 H GLU 65 H GLU 65 12.442 6.592 5.489
481 HA GLU 65 HA GLU 65 11.802 5.081 3.125
482 HB2 GLU 65 HB2 GLU 65 13.624 3.507 4.076
483 HB3 GLU 65 HB3 GLU 65 14.079 5.061 3.407
484 HG2 GLU 65 HG2 GLU 65 15.349 4.671 5.378
485 HG3 GLU 65 HG3 GLU 65 14.209 5.963 5.712
486 H GLU 66 H GLU 66 11.805 2.659 3.358
487 HA GLU 66 HA GLU 66 11.015 0.701 4.176
488 HB2 GLU 66 HB2 GLU 66 9.733 2.263 6.416
489 HB3 GLU 66 HB3 GLU 66 9.733 0.509 6.253
490 HG2 GLU 66 HG2 GLU 66 12.375 1.045 6.052
491 HG3 GLU 66 HG3 GLU 66 11.849 2.328 7.140
492 H GLN 67 H GLN 67 10.059 1.072 2.133
493 HA GLN 67 HA GLN 67 7.169 1.438 2.161
494 HB2 GLN 67 HB2 GLN 67 9.098 1.964 0.286
495 HB3 GLN 67 HB3 GLN 67 8.503 0.414 -0.268
496 HG2 GLN 67 HG2 GLN 67 6.723 2.776 0.256
497 HG3 GLN 67 HG3 GLN 67 7.461 2.451 -1.304
498 HE21 GLN 67 HE21 GLN 67 5.599 2.159 -2.406
499 HE22 GLN 67 HE22 GLN 67 4.535 0.811 -2.155
500 H LEU 68 H LEU 68 9.157 -1.005 0.544
501 HA LEU 68 HA LEU 68 8.545 -3.207 2.147
502 HB2 LEU 68 HB2 LEU 68 6.513 -2.500 0.160
503 HB3 LEU 68 HB3 LEU 68 7.086 -4.150 0.020
504 HG LEU 68 HG LEU 68 6.243 -3.111 2.679
505 HD11 LEU 68 HD11 LEU 68 4.433 -2.499 1.202
506 HD12 LEU 68 HD12 LEU 68 3.968 -3.850 2.233
507 HD13 LEU 68 HD13 LEU 68 4.398 -4.137 0.549
508 HD21 LEU 68 HD21 LEU 68 5.679 -5.410 3.097
509 HD22 LEU 68 HD22 LEU 68 7.335 -5.305 2.500
510 HD23 LEU 68 HD23 LEU 68 6.041 -5.833 1.425
511 H GLY 69 H GLY 69 9.652 -5.024 1.477
512 HA2 GLY 69 HA2 GLY 69 10.700 -6.455 -0.036
513 HA3 GLY 69 HA3 GLY 69 10.478 -5.248 -1.292
514 H LEU 70 H LEU 70 12.795 -6.368 -1.424
515 HA LEU 70 HA LEU 70 14.681 -4.607 -0.020
516 HB2 LEU 70 HB2 LEU 70 14.675 -7.342 -0.170
517 HB3 LEU 70 HB3 LEU 70 15.749 -6.920 -1.488
518 HG LEU 70 HG LEU 70 16.101 -6.102 1.399
519 HD11 LEU 70 HD11 LEU 70 17.592 -8.100 -0.295
520 HD12 LEU 70 HD12 LEU 70 16.500 -8.471 1.039
521 HD13 LEU 70 HD13 LEU 70 18.015 -7.623 1.350
522 HD21 LEU 70 HD21 LEU 70 18.283 -5.264 0.701
523 HD22 LEU 70 HD22 LEU 70 16.985 -4.417 -0.141
524 HD23 LEU 70 HD23 LEU 70 17.911 -5.664 -0.976
525 H CYS 71 H CYS 71 15.901 -3.263 -1.152
526 HA CYS 71 HA CYS 71 15.407 -2.817 -3.926
527 HB2 CYS 71 HB2 CYS 71 17.160 -1.562 -1.841
528 HB3 CYS 71 HB3 CYS 71 17.346 -1.122 -3.536
529 HA PRO 72 HA PRO 72 18.624 -4.946 -6.175
530 HB2 PRO 72 HB2 PRO 72 19.789 -2.216 -6.618
531 HB3 PRO 72 HB3 PRO 72 19.566 -3.544 -7.773
532 HG2 PRO 72 HG2 PRO 72 17.866 -1.503 -7.732
533 HG3 PRO 72 HG3 PRO 72 17.283 -3.160 -7.971
534 HD2 PRO 72 HD2 PRO 72 17.060 -1.402 -5.587
535 HD3 PRO 72 HD3 PRO 72 15.985 -2.702 -6.138
536 H LEU 73 H LEU 73 20.026 -2.119 -4.454
537 HA LEU 73 HA LEU 73 22.346 -3.616 -3.649
538 HB2 LEU 73 HB2 LEU 73 21.309 -0.968 -2.663
539 HB3 LEU 73 HB3 LEU 73 22.825 -1.673 -2.180
540 HG LEU 73 HG LEU 73 23.509 -0.144 -3.729
541 HD11 LEU 73 HD11 LEU 73 24.205 -1.299 -5.725
542 HD12 LEU 73 HD12 LEU 73 23.008 -2.563 -5.442
543 HD13 LEU 73 HD13 LEU 73 24.354 -2.355 -4.319
544 HD21 LEU 73 HD21 LEU 73 21.045 -0.774 -5.331
545 HD22 LEU 73 HD22 LEU 73 22.348 0.274 -5.889
546 HD23 LEU 73 HD23 LEU 73 21.424 0.712 -4.454
547 H LYS 74 H LYS 74 22.902 -3.812 -1.315
548 HA LYS 74 HA LYS 74 20.616 -5.240 -0.170
549 HB2 LYS 74 HB2 LYS 74 23.573 -5.582 0.320
550 HB3 LYS 74 HB3 LYS 74 22.309 -6.551 1.066
551 HG2 LYS 74 HG2 LYS 74 22.942 -6.392 -1.873
552 HG3 LYS 74 HG3 LYS 74 23.287 -7.744 -0.793
553 HD2 LYS 74 HD2 LYS 74 20.875 -8.024 -0.401
554 HD3 LYS 74 HD3 LYS 74 20.549 -6.695 -1.513
555 HE2 LYS 74 HE2 LYS 74 20.239 -8.844 -2.612
556 HE3 LYS 74 HE3 LYS 74 21.577 -7.954 -3.331
557 HZ1 LYS 74 HZ1 LYS 74 21.917 -10.060 -1.323
558 HZ2 LYS 74 HZ2 LYS 74 23.093 -9.335 -2.181
559 HZ3 LYS 74 HZ3 LYS 74 22.033 -10.314 -2.926
560 H ARG 75 H ARG 75 22.737 -2.619 0.519
561 HA ARG 75 HA ARG 75 21.887 -2.569 3.319
562 HB2 ARG 75 HB2 ARG 75 23.966 -1.018 1.787
563 HB3 ARG 75 HB3 ARG 75 23.495 -0.601 3.429
564 HG2 ARG 75 HG2 ARG 75 24.215 -2.760 4.228
565 HG3 ARG 75 HG3 ARG 75 24.589 -3.274 2.582
566 HD2 ARG 75 HD2 ARG 75 25.878 -0.911 3.923
567 HD3 ARG 75 HD3 ARG 75 26.553 -2.538 3.969
568 HE ARG 75 HE ARG 75 26.056 -1.819 1.297
569 HH11 ARG 75 HH11 ARG 75 28.189 -1.005 3.947
570 HH12 ARG 75 HH12 ARG 75 29.515 -0.572 2.916
571 HH21 ARG 75 HH21 ARG 75 27.802 -1.257 -0.069
572 HH22 ARG 75 HH22 ARG 75 29.292 -0.702 0.631
573 H TRP 76 H TRP 76 20.537 -1.714 0.583
574 HA TRP 76 HA TRP 76 19.742 0.991 1.339
575 HB2 TRP 76 HB2 TRP 76 19.352 -0.613 -1.186
576 HB3 TRP 76 HB3 TRP 76 18.641 0.978 -0.925
577 HD1 TRP 76 HD1 TRP 76 22.270 -0.190 -0.203
578 HE1 TRP 76 HE1 TRP 76 23.865 1.357 -1.475
579 HE3 TRP 76 HE3 TRP 76 18.831 2.758 -2.533
580 HZ2 TRP 76 HZ2 TRP 76 23.684 3.546 -3.226
581 HZ3 TRP 76 HZ3 TRP 76 19.616 4.599 -3.955
582 HH2 TRP 76 HH2 TRP 76 22.004 4.991 -4.265
583 H THR 77 H THR 77 17.639 1.589 1.624
584 HA THR 77 HA THR 77 15.764 -0.610 2.173
585 HB THR 77 HB THR 77 15.637 2.220 3.222
586 HG1 THR 77 HG1 THR 77 17.041 -0.034 4.105
587 HG21 THR 77 HG21 THR 77 14.115 1.242 4.890
588 HG22 THR 77 HG22 THR 77 14.245 -0.318 4.079
589 HG23 THR 77 HG23 THR 77 13.502 1.048 3.248
590 H CYS 78 H CYS 78 13.897 -0.714 1.023
591 HA CYS 78 HA CYS 78 13.346 1.075 -1.110
592 HB2 CYS 78 HB2 CYS 78 12.534 -1.292 -1.051
593 HB3 CYS 78 HB3 CYS 78 11.445 -0.855 0.259
594 H CYS 79 H CYS 79 12.375 3.006 -1.027
595 HA CYS 79 HA CYS 79 11.184 3.782 1.550
596 HB2 CYS 79 HB2 CYS 79 13.148 4.997 1.372
597 HB3 CYS 79 HB3 CYS 79 12.962 5.261 -0.360
598 H LYS 80 H LYS 80 9.329 4.972 1.595
599 HA LYS 80 HA LYS 80 7.636 4.518 -0.693
600 HB2 LYS 80 HB2 LYS 80 7.013 4.154 1.750
601 HB3 LYS 80 HB3 LYS 80 6.884 5.902 1.872
602 HG2 LYS 80 HG2 LYS 80 5.140 5.926 0.207
603 HG3 LYS 80 HG3 LYS 80 5.309 4.189 -0.034
604 HD2 LYS 80 HD2 LYS 80 4.431 5.562 2.504
605 HD3 LYS 80 HD3 LYS 80 3.392 4.686 1.383
606 HE2 LYS 80 HE2 LYS 80 3.730 3.046 2.934
607 HE3 LYS 80 HE3 LYS 80 5.111 2.734 1.886
608 HZ1 LYS 80 HZ1 LYS 80 5.170 4.274 4.385
609 HZ2 LYS 80 HZ2 LYS 80 6.450 4.035 3.417
610 HZ3 LYS 80 HZ3 LYS 80 5.767 2.775 4.178
611 H GLU 81 H GLU 81 8.341 5.926 -2.252
612 HA GLU 81 HA GLU 81 8.218 7.802 -3.517
613 HB2 GLU 81 HB2 GLU 81 5.848 8.202 -1.702
614 HB3 GLU 81 HB3 GLU 81 6.146 9.145 -3.158
615 HG2 GLU 81 HG2 GLU 81 5.861 7.273 -4.555
616 HG3 GLU 81 HG3 GLU 81 5.966 6.150 -3.202
617 H ILE 82 H ILE 82 10.086 8.862 -3.042
618 HA ILE 82 HA ILE 82 10.543 10.402 -0.703
619 HB ILE 82 HB ILE 82 11.984 10.686 -3.345
620 HG12 ILE 82 HG12 ILE 82 12.593 8.777 -1.074
621 HG13 ILE 82 HG13 ILE 82 11.937 8.317 -2.641
622 HG21 ILE 82 HG21 ILE 82 12.465 12.445 -1.749
623 HG22 ILE 82 HG22 ILE 82 13.867 11.389 -1.927
624 HG23 ILE 82 HG23 ILE 82 12.831 11.249 -0.506
625 HD11 ILE 82 HD11 ILE 82 13.984 9.138 -3.717
626 HD12 ILE 82 HD12 ILE 82 14.305 7.857 -2.549
627 HD13 ILE 82 HD13 ILE 82 14.640 9.537 -2.131
Start of MODEL 2
1 H1 LEU 1 H1 LEU 1 -18.009 3.555 -4.121
2 H2 LEU 1 H2 LEU 1 -18.566 4.863 -3.340
3 H3 LEU 1 H3 LEU 1 -18.652 3.404 -2.632
4 HA LEU 1 HA LEU 1 -16.891 4.640 -1.652
5 HB2 LEU 1 HB2 LEU 1 -16.098 2.353 -3.435
6 HB3 LEU 1 HB3 LEU 1 -14.977 3.082 -2.309
7 HG LEU 1 HG LEU 1 -17.569 1.785 -1.559
8 HD11 LEU 1 HD11 LEU 1 -16.025 0.141 -2.440
9 HD12 LEU 1 HD12 LEU 1 -16.174 -0.039 -0.693
10 HD13 LEU 1 HD13 LEU 1 -14.753 0.745 -1.379
11 HD21 LEU 1 HD21 LEU 1 -16.883 3.494 0.024
12 HD22 LEU 1 HD22 LEU 1 -15.280 2.769 0.127
13 HD23 LEU 1 HD23 LEU 1 -16.686 1.888 0.724
14 HA PRO 2 HA PRO 2 -14.350 7.421 -4.011
15 HB2 PRO 2 HB2 PRO 2 -11.965 6.022 -2.905
16 HB3 PRO 2 HB3 PRO 2 -12.370 7.743 -2.885
17 HG2 PRO 2 HG2 PRO 2 -12.624 6.308 -0.676
18 HG3 PRO 2 HG3 PRO 2 -13.878 7.497 -1.114
19 HD2 PRO 2 HD2 PRO 2 -13.892 4.516 -1.440
20 HD3 PRO 2 HD3 PRO 2 -15.194 5.585 -0.884
21 H ARG 3 H ARG 3 -12.644 7.495 -5.652
22 HA ARG 3 HA ARG 3 -13.339 5.952 -7.791
23 HB2 ARG 3 HB2 ARG 3 -12.188 8.081 -7.958
24 HB3 ARG 3 HB3 ARG 3 -10.723 7.366 -7.302
25 HG2 ARG 3 HG2 ARG 3 -10.613 5.883 -9.274
26 HG3 ARG 3 HG3 ARG 3 -12.016 6.724 -9.939
27 HD2 ARG 3 HD2 ARG 3 -9.353 7.951 -9.254
28 HD3 ARG 3 HD3 ARG 3 -9.964 7.620 -10.874
29 HE ARG 3 HE ARG 3 -11.866 9.224 -9.781
30 HH11 ARG 3 HH11 ARG 3 -8.405 9.499 -10.200
31 HH12 ARG 3 HH12 ARG 3 -8.430 11.227 -10.333
32 HH21 ARG 3 HH21 ARG 3 -11.902 11.504 -9.924
33 HH22 ARG 3 HH22 ARG 3 -10.418 12.369 -10.176
34 H ASP 4 H ASP 4 -10.551 5.383 -5.669
35 HA ASP 4 HA ASP 4 -9.897 3.001 -7.282
36 HB2 ASP 4 HB2 ASP 4 -8.068 4.732 -5.614
37 HB3 ASP 4 HB3 ASP 4 -7.580 3.292 -6.499
38 H THR 5 H THR 5 -11.543 3.507 -4.598
39 HA THR 5 HA THR 5 -10.055 2.039 -2.660
40 HB THR 5 HB THR 5 -13.015 2.649 -2.739
41 HG1 THR 5 HG1 THR 5 -11.740 3.961 -0.834
42 HG21 THR 5 HG21 THR 5 -12.963 2.119 -0.335
43 HG22 THR 5 HG22 THR 5 -11.278 1.615 -0.496
44 HG23 THR 5 HG23 THR 5 -12.549 0.716 -1.322
45 H SER 6 H SER 6 -12.896 1.158 -4.631
46 HA SER 6 HA SER 6 -12.973 -1.542 -3.822
47 HB2 SER 6 HB2 SER 6 -14.870 -0.410 -4.874
48 HB3 SER 6 HB3 SER 6 -13.960 -0.257 -6.375
49 HG SER 6 HG SER 6 -13.863 -2.800 -5.786
50 H ARG 7 H ARG 7 -11.112 0.198 -6.111
51 HA ARG 7 HA ARG 7 -10.052 -2.014 -7.554
52 HB2 ARG 7 HB2 ARG 7 -9.932 0.088 -8.616
53 HB3 ARG 7 HB3 ARG 7 -9.301 0.874 -7.178
54 HG2 ARG 7 HG2 ARG 7 -7.323 -0.880 -7.668
55 HG3 ARG 7 HG3 ARG 7 -7.902 -0.582 -9.309
56 HD2 ARG 7 HD2 ARG 7 -7.671 1.825 -8.953
57 HD3 ARG 7 HD3 ARG 7 -7.103 1.525 -7.306
58 HE ARG 7 HE ARG 7 -5.420 0.095 -8.898
59 HH11 ARG 7 HH11 ARG 7 -6.379 3.467 -8.799
60 HH12 ARG 7 HH12 ARG 7 -4.823 4.040 -9.324
61 HH21 ARG 7 HH21 ARG 7 -3.395 0.854 -9.610
62 HH22 ARG 7 HH22 ARG 7 -3.137 2.560 -9.797
63 H CYS 8 H CYS 8 -8.795 0.055 -4.961
64 HA CYS 8 HA CYS 8 -6.261 -1.186 -4.858
65 HB2 CYS 8 HB2 CYS 8 -7.313 1.122 -3.923
66 HB3 CYS 8 HB3 CYS 8 -7.238 0.168 -2.443
67 H VAL 9 H VAL 9 -9.235 -1.642 -3.026
68 HA VAL 9 HA VAL 9 -8.281 -2.967 -0.812
69 HB VAL 9 HB VAL 9 -10.590 -2.222 -1.009
70 HG11 VAL 9 HG11 VAL 9 -12.237 -3.504 -2.289
71 HG12 VAL 9 HG12 VAL 9 -10.936 -4.495 -2.952
72 HG13 VAL 9 HG13 VAL 9 -11.008 -2.772 -3.323
73 HG21 VAL 9 HG21 VAL 9 -11.708 -4.140 0.019
74 HG22 VAL 9 HG22 VAL 9 -10.080 -3.921 0.659
75 HG23 VAL 9 HG23 VAL 9 -10.399 -5.193 -0.520
76 H GLY 10 H GLY 10 -8.817 -4.279 -4.030
77 HA2 GLY 10 HA2 GLY 10 -8.296 -6.987 -3.096
78 HA3 GLY 10 HA3 GLY 10 -8.664 -6.505 -4.746
79 H TYR 11 H TYR 11 -6.559 -4.348 -4.544
80 HA TYR 11 HA TYR 11 -4.445 -6.113 -5.503
81 HB2 TYR 11 HB2 TYR 11 -4.822 -3.133 -5.797
82 HB3 TYR 11 HB3 TYR 11 -3.519 -4.068 -6.516
83 HD1 TYR 11 HD1 TYR 11 -5.136 -6.491 -7.311
84 HD2 TYR 11 HD2 TYR 11 -5.879 -2.330 -7.742
85 HE1 TYR 11 HE1 TYR 11 -6.555 -6.956 -9.248
86 HE2 TYR 11 HE2 TYR 11 -7.307 -2.778 -9.690
87 HH TYR 11 HH TYR 11 -8.371 -5.927 -10.496
88 H HIS 12 H HIS 12 -4.667 -3.132 -3.555
89 HA HIS 12 HA HIS 12 -2.032 -3.809 -2.419
90 HB2 HIS 12 HB2 HIS 12 -3.063 -0.990 -2.690
91 HB3 HIS 12 HB3 HIS 12 -1.410 -1.530 -2.437
92 HD1 HIS 12 HD1 HIS 12 -3.206 0.063 -4.911
93 HD2 HIS 12 HD2 HIS 12 -0.782 -3.318 -4.966
94 HE1 HIS 12 HE1 HIS 12 -2.470 -0.204 -7.299
95 HE2 HIS 12 HE2 HIS 12 -0.940 -2.206 -7.298
96 H GLY 13 H GLY 13 -5.072 -3.998 -1.630
97 HA2 GLY 13 HA2 GLY 13 -5.651 -4.581 0.619
98 HA3 GLY 13 HA3 GLY 13 -4.509 -3.376 1.184
99 H TYR 14 H TYR 14 -6.791 -3.264 2.403
100 HA TYR 14 HA TYR 14 -8.846 -1.861 0.972
101 HB2 TYR 14 HB2 TYR 14 -9.993 -1.800 3.193
102 HB3 TYR 14 HB3 TYR 14 -9.556 -3.412 2.649
103 HD1 TYR 14 HD1 TYR 14 -8.010 -4.752 3.875
104 HD2 TYR 14 HD2 TYR 14 -8.734 -0.729 5.032
105 HE1 TYR 14 HE1 TYR 14 -6.860 -5.166 6.003
106 HE2 TYR 14 HE2 TYR 14 -7.583 -1.126 7.171
107 HH TYR 14 HH TYR 14 -5.699 -3.911 7.733
108 H CYS 15 H CYS 15 -9.862 0.083 2.351
109 HA CYS 15 HA CYS 15 -7.661 2.033 2.377
110 HB2 CYS 15 HB2 CYS 15 -10.435 2.431 1.256
111 HB3 CYS 15 HB3 CYS 15 -9.095 3.574 1.184
112 H ILE 16 H ILE 16 -7.592 2.068 4.636
113 HA ILE 16 HA ILE 16 -9.909 3.230 5.990
114 HB ILE 16 HB ILE 16 -8.529 3.057 8.054
115 HG12 ILE 16 HG12 ILE 16 -6.596 1.655 6.211
116 HG13 ILE 16 HG13 ILE 16 -6.307 3.156 7.075
117 HG21 ILE 16 HG21 ILE 16 -10.120 1.340 7.539
118 HG22 ILE 16 HG22 ILE 16 -8.672 0.592 8.213
119 HG23 ILE 16 HG23 ILE 16 -8.967 0.537 6.475
120 HD11 ILE 16 HD11 ILE 16 -6.427 1.969 9.197
121 HD12 ILE 16 HD12 ILE 16 -5.191 1.279 8.144
122 HD13 ILE 16 HD13 ILE 16 -6.740 0.460 8.340
123 H ARG 17 H ARG 17 -9.204 5.117 7.557
124 HA ARG 17 HA ARG 17 -8.405 7.103 5.582
125 HB2 ARG 17 HB2 ARG 17 -10.522 7.316 6.888
126 HB3 ARG 17 HB3 ARG 17 -9.561 7.531 8.344
127 HG2 ARG 17 HG2 ARG 17 -8.560 9.548 7.374
128 HG3 ARG 17 HG3 ARG 17 -9.561 9.340 5.937
129 HD2 ARG 17 HD2 ARG 17 -10.539 9.801 8.750
130 HD3 ARG 17 HD3 ARG 17 -10.547 10.973 7.433
131 HE ARG 17 HE ARG 17 -12.032 8.472 7.108
132 HH11 ARG 17 HH11 ARG 17 -12.058 11.940 7.584
133 HH12 ARG 17 HH12 ARG 17 -13.716 12.118 7.111
134 HH21 ARG 17 HH21 ARG 17 -14.201 8.695 6.488
135 HH22 ARG 17 HH22 ARG 17 -14.939 10.266 6.481
136 H SER 18 H SER 18 -6.796 5.380 7.891
137 HA SER 18 HA SER 18 -4.683 7.356 8.032
138 HB2 SER 18 HB2 SER 18 -6.066 6.277 10.492
139 HB3 SER 18 HB3 SER 18 -4.508 7.108 10.527
140 HG SER 18 HG SER 18 -6.354 8.502 9.108
141 H LYS 19 H LYS 19 -2.751 6.401 9.240
142 HA LYS 19 HA LYS 19 -2.129 3.969 7.847
143 HB2 LYS 19 HB2 LYS 19 -0.494 5.735 9.667
144 HB3 LYS 19 HB3 LYS 19 0.146 4.375 8.759
145 HG2 LYS 19 HG2 LYS 19 0.643 6.414 7.651
146 HG3 LYS 19 HG3 LYS 19 -0.478 5.496 6.668
147 HD2 LYS 19 HD2 LYS 19 -2.303 6.929 7.598
148 HD3 LYS 19 HD3 LYS 19 -1.064 7.903 8.390
149 HE2 LYS 19 HE2 LYS 19 -1.230 7.412 5.427
150 HE3 LYS 19 HE3 LYS 19 -1.856 8.844 6.241
151 HZ1 LYS 19 HZ1 LYS 19 0.375 9.318 6.975
152 HZ2 LYS 19 HZ2 LYS 19 0.330 9.224 5.354
153 HZ3 LYS 19 HZ3 LYS 19 0.951 7.998 6.216
154 H VAL 20 H VAL 20 -3.936 4.028 10.154
155 HA VAL 20 HA VAL 20 -2.726 2.717 12.382
156 HB VAL 20 HB VAL 20 -5.660 2.532 11.777
157 HG11 VAL 20 HG11 VAL 20 -4.123 2.905 14.344
158 HG12 VAL 20 HG12 VAL 20 -4.810 1.390 13.758
159 HG13 VAL 20 HG13 VAL 20 -5.872 2.727 14.200
160 HG21 VAL 20 HG21 VAL 20 -5.055 4.834 11.279
161 HG22 VAL 20 HG22 VAL 20 -4.244 4.972 12.840
162 HG23 VAL 20 HG23 VAL 20 -5.991 4.743 12.771
163 H CYS 21 H CYS 21 -2.145 1.373 9.894
164 HA CYS 21 HA CYS 21 -3.772 -0.869 9.437
165 HB2 CYS 21 HB2 CYS 21 -0.802 -0.604 8.961
166 HB3 CYS 21 HB3 CYS 21 -1.912 -1.695 8.135
167 HA PRO 22 HA PRO 22 -2.563 -3.401 12.950
168 HB2 PRO 22 HB2 PRO 22 -3.990 -5.579 12.243
169 HB3 PRO 22 HB3 PRO 22 -4.756 -4.142 12.928
170 HG2 PRO 22 HG2 PRO 22 -4.561 -5.007 10.072
171 HG3 PRO 22 HG3 PRO 22 -5.948 -4.326 10.943
172 HD2 PRO 22 HD2 PRO 22 -4.347 -2.859 9.298
173 HD3 PRO 22 HD3 PRO 22 -5.200 -2.168 10.692
174 H LYS 23 H LYS 23 -1.913 -5.949 12.946
175 HA LYS 23 HA LYS 23 -0.026 -6.253 10.705
176 HB2 LYS 23 HB2 LYS 23 0.238 -6.921 13.612
177 HB3 LYS 23 HB3 LYS 23 1.163 -7.825 12.426
178 HG2 LYS 23 HG2 LYS 23 2.572 -6.115 13.221
179 HG3 LYS 23 HG3 LYS 23 2.063 -5.628 11.606
180 HD2 LYS 23 HD2 LYS 23 0.355 -4.168 12.609
181 HD3 LYS 23 HD3 LYS 23 0.926 -4.630 14.215
182 HE2 LYS 23 HE2 LYS 23 2.531 -3.219 12.089
183 HE3 LYS 23 HE3 LYS 23 1.864 -2.487 13.545
184 HZ1 LYS 23 HZ1 LYS 23 3.945 -4.550 13.438
185 HZ2 LYS 23 HZ2 LYS 23 3.277 -3.996 14.813
186 HZ3 LYS 23 HZ3 LYS 23 4.146 -2.995 13.874
187 HA PRO 24 HA PRO 24 1.134 -7.484 9.768
188 HB2 PRO 24 HB2 PRO 24 1.353 -9.007 7.602
189 HB3 PRO 24 HB3 PRO 24 1.883 -9.592 9.183
190 HG2 PRO 24 HG2 PRO 24 -0.588 -10.232 7.640
191 HG3 PRO 24 HG3 PRO 24 0.408 -11.293 8.651
192 HD2 PRO 24 HD2 PRO 24 -1.976 -10.079 9.434
193 HD3 PRO 24 HD3 PRO 24 -0.754 -10.744 10.532
194 H PHE 25 H PHE 25 0.223 -5.520 9.111
195 HA PHE 25 HA PHE 25 -0.684 -5.489 6.347
196 HB2 PHE 25 HB2 PHE 25 -2.236 -4.241 8.626
197 HB3 PHE 25 HB3 PHE 25 -2.441 -3.746 6.953
198 HD1 PHE 25 HD1 PHE 25 -2.580 -6.736 9.156
199 HD2 PHE 25 HD2 PHE 25 -3.973 -4.833 5.614
200 HE1 PHE 25 HE1 PHE 25 -4.236 -8.530 8.846
201 HE2 PHE 25 HE2 PHE 25 -5.608 -6.640 5.286
202 HZ PHE 25 HZ PHE 25 -5.734 -8.481 6.900
203 H ALA 26 H ALA 26 -0.040 -3.700 5.243
204 HA ALA 26 HA ALA 26 1.631 -1.819 6.781
205 HB1 ALA 26 HB1 ALA 26 2.079 -2.643 3.919
206 HB2 ALA 26 HB2 ALA 26 2.898 -3.374 5.299
207 HB3 ALA 26 HB3 ALA 26 3.140 -1.665 4.932
208 H ALA 27 H ALA 27 1.274 0.283 6.561
209 HA ALA 27 HA ALA 27 -0.824 1.381 5.048
210 HB1 ALA 27 HB1 ALA 27 1.611 2.665 6.284
211 HB2 ALA 27 HB2 ALA 27 0.022 2.489 7.026
212 HB3 ALA 27 HB3 ALA 27 0.234 3.548 5.631
213 H PHE 28 H PHE 28 -0.601 0.709 2.912
214 HA PHE 28 HA PHE 28 1.884 1.329 1.536
215 HB2 PHE 28 HB2 PHE 28 -0.294 -0.584 1.168
216 HB3 PHE 28 HB3 PHE 28 0.198 0.183 -0.330
217 HD1 PHE 28 HD1 PHE 28 3.027 0.521 -0.103
218 HD2 PHE 28 HD2 PHE 28 0.579 -2.672 1.257
219 HE1 PHE 28 HE1 PHE 28 4.952 -1.006 -0.224
220 HE2 PHE 28 HE2 PHE 28 2.491 -4.208 1.129
221 HZ PHE 28 HZ PHE 28 4.685 -3.372 0.389
222 H GLY 29 H GLY 29 1.761 3.530 1.494
223 HA2 GLY 29 HA2 GLY 29 1.323 5.566 0.547
224 HA3 GLY 29 HA3 GLY 29 0.771 4.660 -0.849
225 H THR 30 H THR 30 -1.027 5.665 -1.422
226 HA THR 30 HA THR 30 -3.240 5.586 0.503
227 HB THR 30 HB THR 30 -4.101 7.724 -0.423
228 HG1 THR 30 HG1 THR 30 -1.563 8.139 -1.614
229 HG21 THR 30 HG21 THR 30 -2.880 7.943 1.607
230 HG22 THR 30 HG22 THR 30 -2.276 9.220 0.544
231 HG23 THR 30 HG23 THR 30 -1.336 7.743 0.779
232 H CYS 31 H CYS 31 -5.342 5.209 -0.535
233 HA CYS 31 HA CYS 31 -5.045 3.492 -2.819
234 HB2 CYS 31 HB2 CYS 31 -7.551 4.483 -1.457
235 HB3 CYS 31 HB3 CYS 31 -7.494 3.220 -2.679
236 H SER 32 H SER 32 -7.369 6.118 -2.393
237 HA SER 32 HA SER 32 -6.994 6.814 -5.224
238 HB2 SER 32 HB2 SER 32 -9.261 5.871 -4.360
239 HB3 SER 32 HB3 SER 32 -9.463 7.457 -3.620
240 HG SER 32 HG SER 32 -8.857 7.113 -6.375
241 H TRP 33 H TRP 33 -8.366 8.340 -2.332
242 HA TRP 33 HA TRP 33 -6.994 10.828 -2.939
243 HB2 TRP 33 HB2 TRP 33 -8.532 10.459 -0.406
244 HB3 TRP 33 HB3 TRP 33 -8.434 11.864 -1.453
245 HD1 TRP 33 HD1 TRP 33 -11.031 10.005 -0.225
246 HE1 TRP 33 HE1 TRP 33 -12.945 9.573 -1.883
247 HE3 TRP 33 HE3 TRP 33 -8.569 10.986 -4.595
248 HZ2 TRP 33 HZ2 TRP 33 -13.354 9.624 -4.654
249 HZ3 TRP 33 HZ3 TRP 33 -9.808 10.771 -6.712
250 HH2 TRP 33 HH2 TRP 33 -12.144 10.105 -6.740
251 H ARG 34 H ARG 34 -5.583 11.818 -1.387
252 HA ARG 34 HA ARG 34 -3.770 10.036 -0.161
253 HB2 ARG 34 HB2 ARG 34 -3.028 12.176 -0.990
254 HB3 ARG 34 HB3 ARG 34 -4.123 13.023 0.089
255 HG2 ARG 34 HG2 ARG 34 -2.109 11.236 1.317
256 HG3 ARG 34 HG3 ARG 34 -1.552 12.738 0.600
257 HD2 ARG 34 HD2 ARG 34 -3.199 13.969 1.966
258 HD3 ARG 34 HD3 ARG 34 -3.668 12.448 2.719
259 HE ARG 34 HE ARG 34 -1.077 13.805 3.042
260 HH11 ARG 34 HH11 ARG 34 -3.361 11.346 4.023
261 HH12 ARG 34 HH12 ARG 34 -2.615 11.080 5.563
262 HH21 ARG 34 HH21 ARG 34 -0.085 13.464 5.072
263 HH22 ARG 34 HH22 ARG 34 -0.743 12.286 6.160
264 H GLN 35 H GLN 35 -6.597 11.644 0.892
265 HA GLN 35 HA GLN 35 -6.658 11.596 3.588
266 HB2 GLN 35 HB2 GLN 35 -8.803 10.410 1.816
267 HB3 GLN 35 HB3 GLN 35 -9.026 10.944 3.472
268 HG2 GLN 35 HG2 GLN 35 -8.547 13.233 2.808
269 HG3 GLN 35 HG3 GLN 35 -8.294 12.704 1.146
270 HE21 GLN 35 HE21 GLN 35 -10.251 14.577 2.289
271 HE22 GLN 35 HE22 GLN 35 -11.800 13.979 1.813
272 H LYS 36 H LYS 36 -7.094 8.710 1.531
273 HA LYS 36 HA LYS 36 -7.157 7.104 3.988
274 HB2 LYS 36 HB2 LYS 36 -8.370 5.427 2.551
275 HB3 LYS 36 HB3 LYS 36 -9.230 6.925 2.867
276 HG2 LYS 36 HG2 LYS 36 -8.204 7.686 0.606
277 HG3 LYS 36 HG3 LYS 36 -7.974 5.958 0.345
278 HD2 LYS 36 HD2 LYS 36 -10.050 6.629 -0.646
279 HD3 LYS 36 HD3 LYS 36 -10.381 5.625 0.772
280 HE2 LYS 36 HE2 LYS 36 -10.276 8.551 1.186
281 HE3 LYS 36 HE3 LYS 36 -11.644 7.930 0.265
282 HZ1 LYS 36 HZ1 LYS 36 -12.144 6.493 2.124
283 HZ2 LYS 36 HZ2 LYS 36 -12.135 8.047 2.600
284 HZ3 LYS 36 HZ3 LYS 36 -10.887 7.079 2.974
285 H THR 37 H THR 37 -5.836 5.483 4.304
286 HA THR 37 HA THR 37 -3.539 5.172 2.562
287 HB THR 37 HB THR 37 -4.134 3.789 5.184
288 HG1 THR 37 HG1 THR 37 -3.519 6.415 4.654
289 HG21 THR 37 HG21 THR 37 -1.511 4.455 3.848
290 HG22 THR 37 HG22 THR 37 -2.280 2.869 3.832
291 HG23 THR 37 HG23 THR 37 -1.730 3.564 5.356
292 H CYS 38 H CYS 38 -2.909 3.164 1.642
293 HA CYS 38 HA CYS 38 -5.117 1.267 1.274
294 HB2 CYS 38 HB2 CYS 38 -3.721 2.370 -0.642
295 HB3 CYS 38 HB3 CYS 38 -2.497 1.185 -0.206
296 H CYS 39 H CYS 39 -5.100 -0.222 2.883
297 HA CYS 39 HA CYS 39 -2.483 -1.150 3.868
298 HB2 CYS 39 HB2 CYS 39 -5.178 -1.155 5.233
299 HB3 CYS 39 HB3 CYS 39 -3.688 -1.778 5.934
300 H VAL 40 H VAL 40 -1.927 -2.987 2.903
301 HA VAL 40 HA VAL 40 -4.005 -5.026 2.454
302 HB VAL 40 HB VAL 40 -2.586 -4.247 0.508
303 HG11 VAL 40 HG11 VAL 40 -0.462 -4.119 1.728
304 HG12 VAL 40 HG12 VAL 40 -0.351 -5.101 0.267
305 HG13 VAL 40 HG13 VAL 40 -0.445 -5.878 1.848
306 HG21 VAL 40 HG21 VAL 40 -2.604 -7.174 1.227
307 HG22 VAL 40 HG22 VAL 40 -2.271 -6.539 -0.387
308 HG23 VAL 40 HG23 VAL 40 -3.852 -6.284 0.351
309 H ASP 41 H ASP 41 -3.669 -7.165 3.108
310 HA ASP 41 HA ASP 41 -2.189 -7.658 5.454
311 HB2 ASP 41 HB2 ASP 41 -4.058 -9.071 4.915
312 HB3 ASP 41 HB3 ASP 41 -3.334 -9.533 3.383
313 H THR 42 H THR 42 -0.069 -7.368 5.455
314 HA THR 42 HA THR 42 1.389 -7.906 3.009
315 HB THR 42 HB THR 42 3.256 -6.695 4.349
316 HG1 THR 42 HG1 THR 42 2.654 -5.705 6.166
317 HG21 THR 42 HG21 THR 42 0.768 -5.137 3.641
318 HG22 THR 42 HG22 THR 42 1.913 -5.757 2.455
319 HG23 THR 42 HG23 THR 42 2.431 -4.554 3.633
320 H THR 43 H THR 43 1.402 -10.192 3.192
321 HA THR 43 HA THR 43 3.321 -11.194 5.168
322 HB THR 43 HB THR 43 2.271 -13.465 4.405
323 HG1 THR 43 HG1 THR 43 -0.059 -11.900 4.091
324 HG21 THR 43 HG21 THR 43 0.825 -11.497 6.170
325 HG22 THR 43 HG22 THR 43 2.165 -12.534 6.654
326 HG23 THR 43 HG23 THR 43 0.617 -13.248 6.199
327 H SER 44 H SER 44 2.209 -12.357 1.998
328 HA SER 44 HA SER 44 4.964 -13.109 1.359
329 HB2 SER 44 HB2 SER 44 2.511 -13.737 -0.224
330 HB3 SER 44 HB3 SER 44 4.045 -14.596 -0.229
331 HG SER 44 HG SER 44 2.203 -15.516 1.045
332 H ASP 45 H ASP 45 2.243 -11.560 -0.353
333 HA ASP 45 HA ASP 45 3.972 -10.768 -2.523
334 HB2 ASP 45 HB2 ASP 45 1.953 -9.996 -3.634
335 HB3 ASP 45 HB3 ASP 45 1.706 -11.614 -2.994
336 H PHE 46 H PHE 46 3.262 -9.540 0.381
337 HA PHE 46 HA PHE 46 2.691 -6.900 0.279
338 HB2 PHE 46 HB2 PHE 46 3.823 -6.673 2.387
339 HB3 PHE 46 HB3 PHE 46 3.004 -8.212 2.281
340 HD1 PHE 46 HD1 PHE 46 5.322 -7.337 4.135
341 HD2 PHE 46 HD2 PHE 46 5.066 -9.523 0.526
342 HE1 PHE 46 HE1 PHE 46 7.352 -8.579 4.756
343 HE2 PHE 46 HE2 PHE 46 7.071 -10.796 1.118
344 HZ PHE 46 HZ PHE 46 8.248 -10.308 3.245
345 H HIS 47 H HIS 47 5.468 -8.267 -1.018
346 HA HIS 47 HA HIS 47 7.300 -6.156 -0.922
347 HB2 HIS 47 HB2 HIS 47 7.244 -8.660 -2.087
348 HB3 HIS 47 HB3 HIS 47 7.365 -7.566 -3.464
349 HD1 HIS 47 HD1 HIS 47 9.514 -6.153 -3.675
350 HD2 HIS 47 HD2 HIS 47 9.456 -8.699 -0.390
351 HE1 HIS 47 HE1 HIS 47 11.834 -6.068 -2.713
352 HE2 HIS 47 HE2 HIS 47 11.829 -7.762 -0.845
353 H THR 48 H THR 48 4.313 -5.983 -2.089
354 HA THR 48 HA THR 48 4.115 -4.822 -4.541
355 HB THR 48 HB THR 48 2.635 -3.928 -2.100
356 HG1 THR 48 HG1 THR 48 2.902 -6.418 -3.065
357 HG21 THR 48 HG21 THR 48 1.979 -2.713 -4.079
358 HG22 THR 48 HG22 THR 48 0.697 -3.847 -3.649
359 HG23 THR 48 HG23 THR 48 1.792 -4.215 -4.982
360 H CYS 49 H CYS 49 6.122 -3.473 -2.284
361 HA CYS 49 HA CYS 49 5.463 -0.830 -2.028
362 HB2 CYS 49 HB2 CYS 49 7.667 -0.402 -1.362
363 HB3 CYS 49 HB3 CYS 49 7.446 -2.103 -1.008
364 H GLN 50 H GLN 50 7.430 -2.152 -4.749
365 HA GLN 50 HA GLN 50 7.677 0.396 -5.952
366 HB2 GLN 50 HB2 GLN 50 8.576 -0.752 -7.888
367 HB3 GLN 50 HB3 GLN 50 9.303 -1.339 -6.411
368 HG2 GLN 50 HG2 GLN 50 7.122 -2.759 -7.923
369 HG3 GLN 50 HG3 GLN 50 8.842 -3.092 -8.097
370 HE21 GLN 50 HE21 GLN 50 6.017 -3.668 -6.299
371 HE22 GLN 50 HE22 GLN 50 6.731 -4.655 -5.059
372 H ASP 51 H ASP 51 5.109 -1.814 -5.875
373 HA ASP 51 HA ASP 51 3.842 -0.998 -8.320
374 HB2 ASP 51 HB2 ASP 51 2.781 -2.401 -5.864
375 HB3 ASP 51 HB3 ASP 51 1.811 -2.082 -7.293
376 H LYS 52 H LYS 52 3.760 -0.034 -4.952
377 HA LYS 52 HA LYS 52 1.607 1.836 -5.275
378 HB2 LYS 52 HB2 LYS 52 3.585 1.308 -3.080
379 HB3 LYS 52 HB3 LYS 52 2.421 2.618 -2.986
380 HG2 LYS 52 HG2 LYS 52 1.797 -0.313 -3.243
381 HG3 LYS 52 HG3 LYS 52 1.653 0.664 -1.785
382 HD2 LYS 52 HD2 LYS 52 0.046 0.914 -4.324
383 HD3 LYS 52 HD3 LYS 52 -0.538 0.464 -2.723
384 HE2 LYS 52 HE2 LYS 52 -0.004 2.705 -1.889
385 HE3 LYS 52 HE3 LYS 52 0.610 3.152 -3.480
386 HZ1 LYS 52 HZ1 LYS 52 -1.624 3.927 -3.169
387 HZ2 LYS 52 HZ2 LYS 52 -2.166 2.421 -2.886
388 HZ3 LYS 52 HZ3 LYS 52 -1.594 2.813 -4.357
389 H GLY 53 H GLY 53 4.942 1.867 -5.880
390 HA2 GLY 53 HA2 GLY 53 5.808 3.857 -7.068
391 HA3 GLY 53 HA3 GLY 53 4.990 4.817 -5.839
392 H GLY 54 H GLY 54 6.839 1.857 -5.437
393 HA2 GLY 54 HA2 GLY 54 8.352 3.005 -3.290
394 HA3 GLY 54 HA3 GLY 54 8.505 1.374 -3.919
395 H HIS 55 H HIS 55 10.020 4.216 -3.554
396 HA HIS 55 HA HIS 55 11.648 3.946 -5.985
397 HB2 HIS 55 HB2 HIS 55 11.433 6.184 -3.962
398 HB3 HIS 55 HB3 HIS 55 12.607 6.161 -5.270
399 HD1 HIS 55 HD1 HIS 55 11.878 7.247 -7.381
400 HD2 HIS 55 HD2 HIS 55 8.653 6.134 -5.001
401 HE1 HIS 55 HE1 HIS 55 9.842 8.174 -8.525
402 HE2 HIS 55 HE2 HIS 55 7.897 7.322 -7.169
403 H CYS 56 H CYS 56 14.030 4.334 -5.617
404 HA CYS 56 HA CYS 56 14.864 2.972 -3.152
405 HB2 CYS 56 HB2 CYS 56 15.892 2.640 -5.970
406 HB3 CYS 56 HB3 CYS 56 16.784 2.080 -4.556
407 H VAL 57 H VAL 57 15.984 4.249 -1.900
408 HA VAL 57 HA VAL 57 17.540 6.408 -3.160
409 HB VAL 57 HB VAL 57 17.027 7.830 -1.238
410 HG11 VAL 57 HG11 VAL 57 14.673 8.261 -1.731
411 HG12 VAL 57 HG12 VAL 57 14.566 6.700 -2.545
412 HG13 VAL 57 HG13 VAL 57 15.608 7.965 -3.199
413 HG21 VAL 57 HG21 VAL 57 16.711 6.148 0.477
414 HG22 VAL 57 HG22 VAL 57 15.256 5.567 -0.333
415 HG23 VAL 57 HG23 VAL 57 15.285 7.181 0.375
416 H SER 58 H SER 58 19.516 6.818 -2.418
417 HA SER 58 HA SER 58 20.863 4.734 -1.000
418 HB2 SER 58 HB2 SER 58 22.864 6.029 -1.502
419 HB3 SER 58 HB3 SER 58 21.825 6.022 -2.918
420 HG SER 58 HG SER 58 21.759 8.100 -2.807
421 HA PRO 59 HA PRO 59 20.786 6.131 3.152
422 HB2 PRO 59 HB2 PRO 59 23.448 6.150 3.879
423 HB3 PRO 59 HB3 PRO 59 22.422 4.716 3.822
424 HG2 PRO 59 HG2 PRO 59 24.389 5.720 1.811
425 HG3 PRO 59 HG3 PRO 59 24.061 4.055 2.328
426 HD2 PRO 59 HD2 PRO 59 23.125 5.012 0.011
427 HD3 PRO 59 HD3 PRO 59 22.180 3.877 0.989
428 H LYS 60 H LYS 60 22.198 8.112 0.827
429 HA LYS 60 HA LYS 60 22.724 10.236 2.791
430 HB2 LYS 60 HB2 LYS 60 23.921 11.401 1.009
431 HB3 LYS 60 HB3 LYS 60 24.561 9.785 1.257
432 HG2 LYS 60 HG2 LYS 60 23.435 8.979 -0.709
433 HG3 LYS 60 HG3 LYS 60 22.636 10.536 -0.930
434 HD2 LYS 60 HD2 LYS 60 24.547 10.292 -2.435
435 HD3 LYS 60 HD3 LYS 60 24.798 11.607 -1.287
436 HE2 LYS 60 HE2 LYS 60 26.142 10.058 0.111
437 HE3 LYS 60 HE3 LYS 60 25.962 8.830 -1.139
438 HZ1 LYS 60 HZ1 LYS 60 28.033 10.017 -1.340
439 HZ2 LYS 60 HZ2 LYS 60 27.259 11.435 -1.504
440 HZ3 LYS 60 HZ3 LYS 60 27.104 10.292 -2.647
441 H ILE 61 H ILE 61 20.260 9.125 0.952
442 HA ILE 61 HA ILE 61 19.216 11.712 0.118
443 HB ILE 61 HB ILE 61 17.784 9.056 0.080
444 HG12 ILE 61 HG12 ILE 61 19.963 8.968 -1.106
445 HG13 ILE 61 HG13 ILE 61 18.579 8.690 -2.152
446 HG21 ILE 61 HG21 ILE 61 16.480 10.078 -1.725
447 HG22 ILE 61 HG22 ILE 61 17.390 11.575 -1.528
448 HG23 ILE 61 HG23 ILE 61 16.353 10.996 -0.224
449 HD11 ILE 61 HD11 ILE 61 18.755 11.029 -2.913
450 HD12 ILE 61 HD12 ILE 61 20.182 10.058 -3.275
451 HD13 ILE 61 HD13 ILE 61 20.212 11.203 -1.933
452 H ARG 62 H ARG 62 17.239 12.554 0.936
453 HA ARG 62 HA ARG 62 16.487 11.498 3.578
454 HB2 ARG 62 HB2 ARG 62 16.531 14.370 2.647
455 HB3 ARG 62 HB3 ARG 62 15.775 13.838 4.145
456 HG2 ARG 62 HG2 ARG 62 17.943 12.961 4.894
457 HG3 ARG 62 HG3 ARG 62 18.686 13.600 3.426
458 HD2 ARG 62 HD2 ARG 62 17.306 15.201 5.580
459 HD3 ARG 62 HD3 ARG 62 19.040 15.135 5.269
460 HE ARG 62 HE ARG 62 17.274 16.088 3.140
461 HH11 ARG 62 HH11 ARG 62 19.720 16.792 5.548
462 HH12 ARG 62 HH12 ARG 62 20.084 18.356 4.895
463 HH21 ARG 62 HH21 ARG 62 17.754 18.146 2.289
464 HH22 ARG 62 HH22 ARG 62 18.969 19.127 3.049
465 H CYS 63 H CYS 63 14.954 10.202 2.793
466 HA CYS 63 HA CYS 63 12.508 11.482 1.800
467 HB2 CYS 63 HB2 CYS 63 13.683 10.442 -0.109
468 HB3 CYS 63 HB3 CYS 63 13.703 8.907 0.752
469 H LEU 64 H LEU 64 10.558 10.304 2.321
470 HA LEU 64 HA LEU 64 10.627 8.967 4.823
471 HB2 LEU 64 HB2 LEU 64 8.499 9.181 2.718
472 HB3 LEU 64 HB3 LEU 64 8.247 8.410 4.273
473 HG LEU 64 HG LEU 64 8.789 11.319 3.720
474 HD11 LEU 64 HD11 LEU 64 6.663 11.602 4.887
475 HD12 LEU 64 HD12 LEU 64 6.538 9.852 5.060
476 HD13 LEU 64 HD13 LEU 64 6.499 10.585 3.457
477 HD21 LEU 64 HD21 LEU 64 10.130 10.715 5.640
478 HD22 LEU 64 HD22 LEU 64 8.757 9.886 6.375
479 HD23 LEU 64 HD23 LEU 64 8.723 11.637 6.167
480 H GLU 65 H GLU 65 12.120 7.318 4.528
481 HA GLU 65 HA GLU 65 11.649 5.341 2.469
482 HB2 GLU 65 HB2 GLU 65 13.793 4.426 3.038
483 HB3 GLU 65 HB3 GLU 65 13.936 6.171 2.917
484 HG2 GLU 65 HG2 GLU 65 13.620 4.722 5.532
485 HG3 GLU 65 HG3 GLU 65 15.183 5.078 4.806
486 H GLU 66 H GLU 66 12.005 3.013 3.087
487 HA GLU 66 HA GLU 66 11.592 1.123 4.277
488 HB2 GLU 66 HB2 GLU 66 10.751 2.990 6.484
489 HB3 GLU 66 HB3 GLU 66 10.766 1.235 6.629
490 HG2 GLU 66 HG2 GLU 66 13.116 1.148 6.374
491 HG3 GLU 66 HG3 GLU 66 13.179 2.841 5.886
492 H GLN 67 H GLN 67 10.072 1.672 2.376
493 HA GLN 67 HA GLN 67 7.275 1.720 3.075
494 HB2 GLN 67 HB2 GLN 67 8.258 2.575 0.911
495 HB3 GLN 67 HB3 GLN 67 8.496 0.895 0.447
496 HG2 GLN 67 HG2 GLN 67 6.105 0.496 0.616
497 HG3 GLN 67 HG3 GLN 67 5.854 2.168 1.113
498 HE21 GLN 67 HE21 GLN 67 4.724 0.859 -1.169
499 HE22 GLN 67 HE22 GLN 67 5.304 1.703 -2.565
500 H LEU 68 H LEU 68 9.229 -0.710 1.359
501 HA LEU 68 HA LEU 68 8.663 -2.867 3.070
502 HB2 LEU 68 HB2 LEU 68 6.423 -2.286 1.665
503 HB3 LEU 68 HB3 LEU 68 7.228 -3.340 0.516
504 HG LEU 68 HG LEU 68 5.653 -4.608 1.834
505 HD11 LEU 68 HD11 LEU 68 8.483 -5.243 2.633
506 HD12 LEU 68 HD12 LEU 68 7.673 -5.760 1.155
507 HD13 LEU 68 HD13 LEU 68 7.112 -6.348 2.720
508 HD21 LEU 68 HD21 LEU 68 7.207 -3.705 4.251
509 HD22 LEU 68 HD22 LEU 68 5.881 -4.866 4.245
510 HD23 LEU 68 HD23 LEU 68 5.581 -3.184 3.809
511 H GLY 69 H GLY 69 10.250 -4.327 2.674
512 HA2 GLY 69 HA2 GLY 69 11.414 -5.862 1.346
513 HA3 GLY 69 HA3 GLY 69 10.860 -5.001 -0.083
514 H LEU 70 H LEU 70 13.484 -5.930 0.276
515 HA LEU 70 HA LEU 70 15.034 -3.521 0.871
516 HB2 LEU 70 HB2 LEU 70 15.494 -6.115 1.516
517 HB3 LEU 70 HB3 LEU 70 16.397 -6.003 0.019
518 HG LEU 70 HG LEU 70 16.815 -4.247 2.442
519 HD11 LEU 70 HD11 LEU 70 18.915 -5.472 2.690
520 HD12 LEU 70 HD12 LEU 70 18.458 -6.522 1.348
521 HD13 LEU 70 HD13 LEU 70 17.517 -6.537 2.840
522 HD21 LEU 70 HD21 LEU 70 17.366 -3.077 0.377
523 HD22 LEU 70 HD22 LEU 70 18.366 -4.434 -0.139
524 HD23 LEU 70 HD23 LEU 70 18.828 -3.485 1.272
525 H CYS 71 H CYS 71 15.837 -2.300 -0.673
526 HA CYS 71 HA CYS 71 15.202 -2.650 -3.393
527 HB2 CYS 71 HB2 CYS 71 16.881 -0.730 -1.837
528 HB3 CYS 71 HB3 CYS 71 16.996 -0.740 -3.594
529 HA PRO 72 HA PRO 72 18.454 -4.844 -5.529
530 HB2 PRO 72 HB2 PRO 72 19.177 -2.106 -6.540
531 HB3 PRO 72 HB3 PRO 72 19.111 -3.644 -7.421
532 HG2 PRO 72 HG2 PRO 72 17.096 -1.932 -7.602
533 HG3 PRO 72 HG3 PRO 72 16.784 -3.670 -7.463
534 HD2 PRO 72 HD2 PRO 72 16.408 -1.521 -5.456
535 HD3 PRO 72 HD3 PRO 72 15.557 -3.068 -5.630
536 H LEU 73 H LEU 73 19.698 -1.602 -4.571
537 HA LEU 73 HA LEU 73 22.174 -2.748 -3.660
538 HB2 LEU 73 HB2 LEU 73 21.043 -0.023 -3.122
539 HB3 LEU 73 HB3 LEU 73 22.640 -0.539 -2.668
540 HG LEU 73 HG LEU 73 23.079 0.691 -4.551
541 HD11 LEU 73 HD11 LEU 73 23.667 -0.780 -6.352
542 HD12 LEU 73 HD12 LEU 73 22.572 -2.019 -5.739
543 HD13 LEU 73 HD13 LEU 73 23.995 -1.559 -4.803
544 HD21 LEU 73 HD21 LEU 73 21.698 0.621 -6.625
545 HD22 LEU 73 HD22 LEU 73 20.890 1.300 -5.213
546 HD23 LEU 73 HD23 LEU 73 20.519 -0.346 -5.737
547 H LYS 74 H LYS 74 22.882 -2.728 -1.521
548 HA LYS 74 HA LYS 74 20.737 -3.590 0.260
549 HB2 LYS 74 HB2 LYS 74 23.716 -4.042 0.364
550 HB3 LYS 74 HB3 LYS 74 22.603 -4.582 1.610
551 HG2 LYS 74 HG2 LYS 74 22.590 -5.451 -1.273
552 HG3 LYS 74 HG3 LYS 74 23.184 -6.389 0.097
553 HD2 LYS 74 HD2 LYS 74 20.888 -6.269 1.075
554 HD3 LYS 74 HD3 LYS 74 20.346 -5.516 -0.425
555 HE2 LYS 74 HE2 LYS 74 19.851 -7.867 -0.511
556 HE3 LYS 74 HE3 LYS 74 21.139 -7.512 -1.660
557 HZ1 LYS 74 HZ1 LYS 74 21.595 -9.489 -0.380
558 HZ2 LYS 74 HZ2 LYS 74 21.529 -8.658 1.014
559 HZ3 LYS 74 HZ3 LYS 74 22.709 -8.348 -0.058
560 H ARG 75 H ARG 75 22.868 -0.972 -0.188
561 HA ARG 75 HA ARG 75 22.696 -0.119 2.600
562 HB2 ARG 75 HB2 ARG 75 23.894 1.312 0.215
563 HB3 ARG 75 HB3 ARG 75 24.015 1.832 1.886
564 HG2 ARG 75 HG2 ARG 75 25.227 -0.642 0.676
565 HG3 ARG 75 HG3 ARG 75 26.078 0.811 1.190
566 HD2 ARG 75 HD2 ARG 75 26.389 -0.826 2.887
567 HD3 ARG 75 HD3 ARG 75 25.243 0.357 3.515
568 HE ARG 75 HE ARG 75 23.716 -1.615 2.358
569 HH11 ARG 75 HH11 ARG 75 26.154 -1.530 4.873
570 HH12 ARG 75 HH12 ARG 75 25.395 -2.761 5.828
571 HH21 ARG 75 HH21 ARG 75 22.705 -3.225 3.617
572 HH22 ARG 75 HH22 ARG 75 23.443 -3.750 5.097
573 H TRP 76 H TRP 76 20.688 -0.144 0.055
574 HA TRP 76 HA TRP 76 19.640 2.563 0.469
575 HB2 TRP 76 HB2 TRP 76 19.178 0.576 -1.761
576 HB3 TRP 76 HB3 TRP 76 18.402 2.152 -1.649
577 HD1 TRP 76 HD1 TRP 76 22.159 1.410 -1.079
578 HE1 TRP 76 HE1 TRP 76 23.507 2.749 -2.794
579 HE3 TRP 76 HE3 TRP 76 18.305 3.491 -3.664
580 HZ2 TRP 76 HZ2 TRP 76 22.996 4.475 -4.958
581 HZ3 TRP 76 HZ3 TRP 76 18.803 5.008 -5.522
582 HH2 TRP 76 HH2 TRP 76 21.105 5.501 -6.147
583 H THR 77 H THR 77 17.344 2.838 0.530
584 HA THR 77 HA THR 77 15.930 0.518 1.671
585 HB THR 77 HB THR 77 15.437 3.409 2.393
586 HG1 THR 77 HG1 THR 77 17.018 1.442 3.732
587 HG21 THR 77 HG21 THR 77 13.582 1.856 2.800
588 HG22 THR 77 HG22 THR 77 14.274 2.448 4.309
589 HG23 THR 77 HG23 THR 77 14.657 0.823 3.741
590 H CYS 78 H CYS 78 13.850 0.130 0.951
591 HA CYS 78 HA CYS 78 12.970 1.425 -1.453
592 HB2 CYS 78 HB2 CYS 78 12.526 -1.009 -0.833
593 HB3 CYS 78 HB3 CYS 78 11.347 -0.414 0.329
594 H CYS 79 H CYS 79 12.019 3.349 -1.473
595 HA CYS 79 HA CYS 79 10.889 4.335 1.055
596 HB2 CYS 79 HB2 CYS 79 12.678 5.696 0.553
597 HB3 CYS 79 HB3 CYS 79 12.388 5.648 -1.181
598 H LYS 80 H LYS 80 8.966 5.388 1.136
599 HA LYS 80 HA LYS 80 7.109 4.605 -0.947
600 HB2 LYS 80 HB2 LYS 80 6.801 4.431 1.630
601 HB3 LYS 80 HB3 LYS 80 6.380 6.134 1.531
602 HG2 LYS 80 HG2 LYS 80 4.656 5.484 -0.182
603 HG3 LYS 80 HG3 LYS 80 4.992 3.808 0.248
604 HD2 LYS 80 HD2 LYS 80 4.014 5.953 2.130
605 HD3 LYS 80 HD3 LYS 80 3.033 4.666 1.433
606 HE2 LYS 80 HE2 LYS 80 3.512 3.810 3.520
607 HE3 LYS 80 HE3 LYS 80 4.792 3.096 2.545
608 HZ1 LYS 80 HZ1 LYS 80 5.048 5.449 4.280
609 HZ2 LYS 80 HZ2 LYS 80 6.236 4.877 3.329
610 HZ3 LYS 80 HZ3 LYS 80 5.679 3.974 4.558
611 H GLU 81 H GLU 81 7.468 5.970 -2.647
612 HA GLU 81 HA GLU 81 7.136 7.781 -3.970
613 HB2 GLU 81 HB2 GLU 81 5.106 8.419 -1.831
614 HB3 GLU 81 HB3 GLU 81 5.211 9.244 -3.380
615 HG2 GLU 81 HG2 GLU 81 4.739 7.181 -4.548
616 HG3 GLU 81 HG3 GLU 81 4.729 6.297 -3.025
617 H ILE 82 H ILE 82 9.077 8.786 -3.862
618 HA ILE 82 HA ILE 82 10.081 10.330 -1.761
619 HB ILE 82 HB ILE 82 10.714 10.621 -4.705
620 HG12 ILE 82 HG12 ILE 82 12.080 8.971 -2.561
621 HG13 ILE 82 HG13 ILE 82 11.092 8.333 -3.872
622 HG21 ILE 82 HG21 ILE 82 12.834 11.590 -3.930
623 HG22 ILE 82 HG22 ILE 82 12.257 11.498 -2.266
624 HG23 ILE 82 HG23 ILE 82 11.444 12.551 -3.425
625 HD11 ILE 82 HD11 ILE 82 13.473 8.085 -4.326
626 HD12 ILE 82 HD12 ILE 82 13.681 9.833 -4.205
627 HD13 ILE 82 HD13 ILE 82 12.700 9.149 -5.501
Start of MODEL 3
1 H1 LEU 1 H1 LEU 1 -18.741 3.352 -3.042
2 H2 LEU 1 H2 LEU 1 -18.437 1.798 -2.677
3 H3 LEU 1 H3 LEU 1 -18.097 2.363 -4.163
4 HA LEU 1 HA LEU 1 -16.803 3.229 -1.694
5 HB2 LEU 1 HB2 LEU 1 -15.904 1.408 -3.912
6 HB3 LEU 1 HB3 LEU 1 -14.773 2.179 -2.825
7 HG LEU 1 HG LEU 1 -16.946 0.281 -2.017
8 HD11 LEU 1 HD11 LEU 1 -15.105 -1.281 -1.564
9 HD12 LEU 1 HD12 LEU 1 -13.977 -0.122 -2.264
10 HD13 LEU 1 HD13 LEU 1 -15.221 -0.858 -3.272
11 HD21 LEU 1 HD21 LEU 1 -14.735 1.559 -0.428
12 HD22 LEU 1 HD22 LEU 1 -15.787 0.273 0.160
13 HD23 LEU 1 HD23 LEU 1 -16.464 1.849 -0.245
14 HA PRO 2 HA PRO 2 -15.194 6.781 -3.820
15 HB2 PRO 2 HB2 PRO 2 -12.474 5.795 -3.121
16 HB3 PRO 2 HB3 PRO 2 -13.214 7.368 -2.807
17 HG2 PRO 2 HG2 PRO 2 -12.936 5.630 -0.832
18 HG3 PRO 2 HG3 PRO 2 -14.451 6.559 -0.987
19 HD2 PRO 2 HD2 PRO 2 -13.868 3.720 -1.792
20 HD3 PRO 2 HD3 PRO 2 -15.299 4.367 -0.965
21 H ARG 3 H ARG 3 -13.394 7.403 -5.427
22 HA ARG 3 HA ARG 3 -14.034 6.119 -7.785
23 HB2 ARG 3 HB2 ARG 3 -13.268 8.397 -7.772
24 HB3 ARG 3 HB3 ARG 3 -11.700 7.915 -7.139
25 HG2 ARG 3 HG2 ARG 3 -11.233 6.708 -9.207
26 HG3 ARG 3 HG3 ARG 3 -12.804 7.193 -9.842
27 HD2 ARG 3 HD2 ARG 3 -12.159 9.522 -9.749
28 HD3 ARG 3 HD3 ARG 3 -10.617 9.090 -9.010
29 HE ARG 3 HE ARG 3 -10.555 7.689 -11.295
30 HH11 ARG 3 HH11 ARG 3 -11.305 11.050 -10.651
31 HH12 ARG 3 HH12 ARG 3 -10.703 11.608 -12.179
32 HH21 ARG 3 HH21 ARG 3 -9.768 8.419 -13.303
33 HH22 ARG 3 HH22 ARG 3 -9.826 10.108 -13.688
34 H ASP 4 H ASP 4 -10.998 5.807 -5.924
35 HA ASP 4 HA ASP 4 -10.238 3.680 -7.822
36 HB2 ASP 4 HB2 ASP 4 -8.510 5.581 -6.256
37 HB3 ASP 4 HB3 ASP 4 -7.873 4.174 -7.099
38 H THR 5 H THR 5 -11.691 3.604 -5.079
39 HA THR 5 HA THR 5 -9.851 2.131 -3.443
40 HB THR 5 HB THR 5 -12.843 2.453 -3.181
41 HG1 THR 5 HG1 THR 5 -10.729 3.683 -1.712
42 HG21 THR 5 HG21 THR 5 -12.555 1.663 -0.898
43 HG22 THR 5 HG22 THR 5 -10.830 1.428 -1.176
44 HG23 THR 5 HG23 THR 5 -12.005 0.436 -2.039
45 H SER 6 H SER 6 -12.517 1.281 -5.609
46 HA SER 6 HA SER 6 -12.546 -1.475 -4.995
47 HB2 SER 6 HB2 SER 6 -14.438 -0.402 -6.070
48 HB3 SER 6 HB3 SER 6 -13.459 -0.017 -7.483
49 HG SER 6 HG SER 6 -13.575 -2.694 -6.711
50 H ARG 7 H ARG 7 -10.549 0.472 -7.044
51 HA ARG 7 HA ARG 7 -9.319 -1.723 -8.433
52 HB2 ARG 7 HB2 ARG 7 -9.285 0.425 -9.513
53 HB3 ARG 7 HB3 ARG 7 -8.597 1.196 -8.092
54 HG2 ARG 7 HG2 ARG 7 -6.793 -0.827 -8.836
55 HG3 ARG 7 HG3 ARG 7 -7.266 -0.002 -10.324
56 HD2 ARG 7 HD2 ARG 7 -6.263 1.358 -7.827
57 HD3 ARG 7 HD3 ARG 7 -5.272 0.983 -9.231
58 HE ARG 7 HE ARG 7 -7.548 2.867 -9.273
59 HH11 ARG 7 HH11 ARG 7 -4.383 1.852 -10.389
60 HH12 ARG 7 HH12 ARG 7 -4.112 3.288 -11.320
61 HH21 ARG 7 HH21 ARG 7 -7.184 4.765 -10.464
62 HH22 ARG 7 HH22 ARG 7 -5.708 4.944 -11.374
63 H CYS 8 H CYS 8 -8.538 0.339 -5.710
64 HA CYS 8 HA CYS 8 -5.888 -0.587 -5.362
65 HB2 CYS 8 HB2 CYS 8 -6.983 1.588 -4.608
66 HB3 CYS 8 HB3 CYS 8 -7.605 0.655 -3.259
67 H VAL 9 H VAL 9 -8.978 -1.530 -3.990
68 HA VAL 9 HA VAL 9 -8.156 -2.763 -1.665
69 HB VAL 9 HB VAL 9 -10.477 -2.368 -2.047
70 HG11 VAL 9 HG11 VAL 9 -10.486 -2.645 -4.466
71 HG12 VAL 9 HG12 VAL 9 -11.785 -3.570 -3.704
72 HG13 VAL 9 HG13 VAL 9 -10.331 -4.394 -4.268
73 HG21 VAL 9 HG21 VAL 9 -11.458 -4.539 -1.449
74 HG22 VAL 9 HG22 VAL 9 -9.978 -4.211 -0.549
75 HG23 VAL 9 HG23 VAL 9 -9.954 -5.336 -1.907
76 H GLY 10 H GLY 10 -8.246 -4.150 -4.935
77 HA2 GLY 10 HA2 GLY 10 -7.443 -6.754 -3.965
78 HA3 GLY 10 HA3 GLY 10 -7.587 -6.264 -5.647
79 H TYR 11 H TYR 11 -5.832 -3.850 -4.771
80 HA TYR 11 HA TYR 11 -3.380 -5.232 -5.542
81 HB2 TYR 11 HB2 TYR 11 -4.223 -2.349 -5.639
82 HB3 TYR 11 HB3 TYR 11 -2.556 -2.847 -5.890
83 HD1 TYR 11 HD1 TYR 11 -4.935 -1.582 -7.713
84 HD2 TYR 11 HD2 TYR 11 -2.911 -5.313 -7.469
85 HE1 TYR 11 HE1 TYR 11 -5.429 -2.001 -10.084
86 HE2 TYR 11 HE2 TYR 11 -3.399 -5.742 -9.833
87 HH TYR 11 HH TYR 11 -5.129 -5.001 -11.520
88 H HIS 12 H HIS 12 -4.289 -2.598 -3.301
89 HA HIS 12 HA HIS 12 -1.845 -3.259 -1.785
90 HB2 HIS 12 HB2 HIS 12 -2.953 -0.485 -1.693
91 HB3 HIS 12 HB3 HIS 12 -1.286 -1.031 -1.557
92 HD1 HIS 12 HD1 HIS 12 -3.448 0.705 -3.794
93 HD2 HIS 12 HD2 HIS 12 -0.323 -1.984 -4.264
94 HE1 HIS 12 HE1 HIS 12 -2.702 0.944 -6.181
95 HE2 HIS 12 HE2 HIS 12 -0.705 -0.586 -6.401
96 H GLY 13 H GLY 13 -4.903 -3.844 -1.545
97 HA2 GLY 13 HA2 GLY 13 -5.794 -4.696 0.496
98 HA3 GLY 13 HA3 GLY 13 -4.865 -3.487 1.371
99 H TYR 14 H TYR 14 -7.057 -3.287 2.428
100 HA TYR 14 HA TYR 14 -9.125 -1.992 0.841
101 HB2 TYR 14 HB2 TYR 14 -10.412 -2.025 2.991
102 HB3 TYR 14 HB3 TYR 14 -9.906 -3.612 2.427
103 HD1 TYR 14 HD1 TYR 14 -8.699 -5.031 3.829
104 HD2 TYR 14 HD2 TYR 14 -8.989 -0.906 4.809
105 HE1 TYR 14 HE1 TYR 14 -7.668 -5.483 6.012
106 HE2 TYR 14 HE2 TYR 14 -7.954 -1.342 6.995
107 HH TYR 14 HH TYR 14 -6.454 -4.326 7.745
108 H CYS 15 H CYS 15 -10.247 -0.132 2.452
109 HA CYS 15 HA CYS 15 -8.042 1.761 2.875
110 HB2 CYS 15 HB2 CYS 15 -9.726 1.860 0.721
111 HB3 CYS 15 HB3 CYS 15 -10.458 2.994 1.833
112 H ILE 16 H ILE 16 -8.119 1.904 4.994
113 HA ILE 16 HA ILE 16 -10.619 2.679 6.301
114 HB ILE 16 HB ILE 16 -9.375 2.555 8.414
115 HG12 ILE 16 HG12 ILE 16 -7.076 1.719 6.650
116 HG13 ILE 16 HG13 ILE 16 -7.154 3.150 7.661
117 HG21 ILE 16 HG21 ILE 16 -8.989 0.082 8.362
118 HG22 ILE 16 HG22 ILE 16 -9.277 0.149 6.620
119 HG23 ILE 16 HG23 ILE 16 -10.550 0.620 7.747
120 HD11 ILE 16 HD11 ILE 16 -7.189 1.752 9.654
121 HD12 ILE 16 HD12 ILE 16 -5.762 1.435 8.667
122 HD13 ILE 16 HD13 ILE 16 -7.118 0.308 8.644
123 H ARG 17 H ARG 17 -10.395 4.568 7.851
124 HA ARG 17 HA ARG 17 -9.680 6.737 6.072
125 HB2 ARG 17 HB2 ARG 17 -11.891 6.624 7.178
126 HB3 ARG 17 HB3 ARG 17 -11.102 6.827 8.733
127 HG2 ARG 17 HG2 ARG 17 -10.221 9.017 7.902
128 HG3 ARG 17 HG3 ARG 17 -11.249 8.812 6.482
129 HD2 ARG 17 HD2 ARG 17 -12.296 10.208 8.232
130 HD3 ARG 17 HD3 ARG 17 -13.221 8.754 7.861
131 HE ARG 17 HE ARG 17 -12.395 7.783 9.910
132 HH11 ARG 17 HH11 ARG 17 -11.916 11.230 9.549
133 HH12 ARG 17 HH12 ARG 17 -11.720 11.509 11.246
134 HH21 ARG 17 HH21 ARG 17 -12.137 8.138 12.139
135 HH22 ARG 17 HH22 ARG 17 -11.850 9.744 12.727
136 H SER 18 H SER 18 -8.122 5.185 8.637
137 HA SER 18 HA SER 18 -6.402 7.531 8.992
138 HB2 SER 18 HB2 SER 18 -7.393 5.714 11.194
139 HB3 SER 18 HB3 SER 18 -6.249 7.040 11.400
140 HG SER 18 HG SER 18 -8.250 8.139 10.212
141 H LYS 19 H LYS 19 -4.272 6.851 10.041
142 HA LYS 19 HA LYS 19 -3.230 4.703 8.389
143 HB2 LYS 19 HB2 LYS 19 -1.649 6.398 10.313
144 HB3 LYS 19 HB3 LYS 19 -1.090 5.598 8.849
145 HG2 LYS 19 HG2 LYS 19 -3.060 7.869 8.875
146 HG3 LYS 19 HG3 LYS 19 -1.327 8.064 8.672
147 HD2 LYS 19 HD2 LYS 19 -1.339 6.927 6.602
148 HD3 LYS 19 HD3 LYS 19 -2.962 6.292 6.881
149 HE2 LYS 19 HE2 LYS 19 -3.833 8.610 6.790
150 HE3 LYS 19 HE3 LYS 19 -2.214 9.173 6.383
151 HZ1 LYS 19 HZ1 LYS 19 -2.317 7.914 4.378
152 HZ2 LYS 19 HZ2 LYS 19 -3.647 8.849 4.448
153 HZ3 LYS 19 HZ3 LYS 19 -3.755 7.258 4.777
154 H VAL 20 H VAL 20 -4.898 4.241 10.777
155 HA VAL 20 HA VAL 20 -3.168 3.091 12.796
156 HB VAL 20 HB VAL 20 -6.094 2.581 12.844
157 HG11 VAL 20 HG11 VAL 20 -4.659 1.807 14.651
158 HG12 VAL 20 HG12 VAL 20 -5.793 3.030 15.225
159 HG13 VAL 20 HG13 VAL 20 -4.109 3.459 14.935
160 HG21 VAL 20 HG21 VAL 20 -6.025 4.857 12.025
161 HG22 VAL 20 HG22 VAL 20 -4.901 5.306 13.312
162 HG23 VAL 20 HG23 VAL 20 -6.551 4.831 13.712
163 H CYS 21 H CYS 21 -2.983 1.842 10.214
164 HA CYS 21 HA CYS 21 -4.529 -0.382 9.758
165 HB2 CYS 21 HB2 CYS 21 -1.559 -0.101 9.302
166 HB3 CYS 21 HB3 CYS 21 -2.622 -1.252 8.497
167 HA PRO 22 HA PRO 22 -3.676 -3.112 13.193
168 HB2 PRO 22 HB2 PRO 22 -4.950 -5.282 12.169
169 HB3 PRO 22 HB3 PRO 22 -5.810 -3.909 12.874
170 HG2 PRO 22 HG2 PRO 22 -5.276 -4.537 9.997
171 HG3 PRO 22 HG3 PRO 22 -6.769 -3.955 10.756
172 HD2 PRO 22 HD2 PRO 22 -5.086 -2.312 9.427
173 HD3 PRO 22 HD3 PRO 22 -6.030 -1.772 10.829
174 H LYS 23 H LYS 23 -3.091 -5.696 13.143
175 HA LYS 23 HA LYS 23 -0.805 -5.889 11.308
176 HB2 LYS 23 HB2 LYS 23 0.395 -5.791 13.205
177 HB3 LYS 23 HB3 LYS 23 -0.999 -6.125 14.213
178 HG2 LYS 23 HG2 LYS 23 0.292 -8.355 12.708
179 HG3 LYS 23 HG3 LYS 23 1.038 -7.746 14.185
180 HD2 LYS 23 HD2 LYS 23 -1.121 -8.117 15.362
181 HD3 LYS 23 HD3 LYS 23 -1.755 -8.846 13.887
182 HE2 LYS 23 HE2 LYS 23 0.621 -9.834 15.465
183 HE3 LYS 23 HE3 LYS 23 -0.993 -10.543 15.481
184 HZ1 LYS 23 HZ1 LYS 23 0.738 -10.362 13.118
185 HZ2 LYS 23 HZ2 LYS 23 -0.725 -11.066 13.169
186 HZ3 LYS 23 HZ3 LYS 23 0.509 -11.702 14.007
187 HA PRO 24 HA PRO 24 0.484 -7.032 10.485
188 HB2 PRO 24 HB2 PRO 24 1.103 -8.530 8.369
189 HB3 PRO 24 HB3 PRO 24 1.415 -9.102 10.011
190 HG2 PRO 24 HG2 PRO 24 -0.772 -9.843 8.122
191 HG3 PRO 24 HG3 PRO 24 0.119 -10.865 9.262
192 HD2 PRO 24 HD2 PRO 24 -2.409 -9.772 9.697
193 HD3 PRO 24 HD3 PRO 24 -1.327 -10.392 10.957
194 H PHE 25 H PHE 25 -0.410 -5.112 9.715
195 HA PHE 25 HA PHE 25 -1.097 -5.108 6.878
196 HB2 PHE 25 HB2 PHE 25 -2.836 -3.948 9.063
197 HB3 PHE 25 HB3 PHE 25 -2.938 -3.407 7.393
198 HD1 PHE 25 HD1 PHE 25 -4.314 -4.505 5.907
199 HD2 PHE 25 HD2 PHE 25 -3.180 -6.440 9.519
200 HE1 PHE 25 HE1 PHE 25 -5.883 -6.330 5.414
201 HE2 PHE 25 HE2 PHE 25 -4.756 -8.269 9.036
202 HZ PHE 25 HZ PHE 25 -6.096 -8.210 6.976
203 H ALA 26 H ALA 26 -0.335 -3.359 5.818
204 HA ALA 26 HA ALA 26 0.965 -1.304 7.483
205 HB1 ALA 26 HB1 ALA 26 1.866 -2.114 4.729
206 HB2 ALA 26 HB2 ALA 26 2.517 -2.826 6.204
207 HB3 ALA 26 HB3 ALA 26 2.717 -1.100 5.894
208 H ALA 27 H ALA 27 0.539 0.766 7.075
209 HA ALA 27 HA ALA 27 -1.530 1.636 5.407
210 HB1 ALA 27 HB1 ALA 27 -0.533 3.908 5.835
211 HB2 ALA 27 HB2 ALA 27 0.781 3.098 6.684
212 HB3 ALA 27 HB3 ALA 27 -0.870 2.965 7.286
213 H PHE 28 H PHE 28 -1.281 0.957 3.289
214 HA PHE 28 HA PHE 28 1.232 1.565 1.931
215 HB2 PHE 28 HB2 PHE 28 -0.804 -0.450 1.651
216 HB3 PHE 28 HB3 PHE 28 -0.604 0.400 0.129
217 HD1 PHE 28 HD1 PHE 28 0.471 -2.295 1.995
218 HD2 PHE 28 HD2 PHE 28 1.957 0.795 -0.517
219 HE1 PHE 28 HE1 PHE 28 2.453 -3.660 1.503
220 HE2 PHE 28 HE2 PHE 28 3.947 -0.560 -1.013
221 HZ PHE 28 HZ PHE 28 4.197 -2.793 -0.004
222 H GLY 29 H GLY 29 1.042 3.797 1.862
223 HA2 GLY 29 HA2 GLY 29 0.563 5.791 0.845
224 HA3 GLY 29 HA3 GLY 29 0.158 4.817 -0.555
225 H THR 30 H THR 30 -1.662 5.506 -1.318
226 HA THR 30 HA THR 30 -3.996 5.604 0.451
227 HB THR 30 HB THR 30 -4.818 7.640 -0.659
228 HG1 THR 30 HG1 THR 30 -3.085 7.053 -2.500
229 HG21 THR 30 HG21 THR 30 -2.075 7.850 0.573
230 HG22 THR 30 HG22 THR 30 -3.639 8.094 1.354
231 HG23 THR 30 HG23 THR 30 -3.049 9.261 0.169
232 H CYS 31 H CYS 31 -5.982 5.134 -0.668
233 HA CYS 31 HA CYS 31 -5.555 3.609 -3.108
234 HB2 CYS 31 HB2 CYS 31 -7.886 2.856 -2.788
235 HB3 CYS 31 HB3 CYS 31 -6.886 2.558 -1.373
236 H SER 32 H SER 32 -8.141 5.821 -2.115
237 HA SER 32 HA SER 32 -8.203 6.872 -4.856
238 HB2 SER 32 HB2 SER 32 -10.241 5.646 -4.027
239 HB3 SER 32 HB3 SER 32 -10.428 6.889 -2.792
240 HG SER 32 HG SER 32 -10.158 8.090 -5.159
241 H TRP 33 H TRP 33 -9.303 7.979 -1.661
242 HA TRP 33 HA TRP 33 -8.260 10.631 -2.216
243 HB2 TRP 33 HB2 TRP 33 -9.556 9.798 0.371
244 HB3 TRP 33 HB3 TRP 33 -9.532 11.386 -0.385
245 HD1 TRP 33 HD1 TRP 33 -12.066 9.324 0.546
246 HE1 TRP 33 HE1 TRP 33 -14.009 9.106 -1.128
247 HE3 TRP 33 HE3 TRP 33 -9.712 11.020 -3.672
248 HZ2 TRP 33 HZ2 TRP 33 -14.479 9.586 -3.861
249 HZ3 TRP 33 HZ3 TRP 33 -10.992 11.107 -5.772
250 HH2 TRP 33 HH2 TRP 33 -13.316 10.407 -5.861
251 H ARG 34 H ARG 34 -7.066 11.681 -0.316
252 HA ARG 34 HA ARG 34 -4.790 9.977 0.207
253 HB2 ARG 34 HB2 ARG 34 -4.453 12.247 -0.648
254 HB3 ARG 34 HB3 ARG 34 -5.240 12.908 0.777
255 HG2 ARG 34 HG2 ARG 34 -2.906 11.154 1.234
256 HG3 ARG 34 HG3 ARG 34 -2.607 12.734 0.520
257 HD2 ARG 34 HD2 ARG 34 -4.138 12.255 3.068
258 HD3 ARG 34 HD3 ARG 34 -2.445 12.743 2.986
259 HE ARG 34 HE ARG 34 -3.795 14.617 1.512
260 HH11 ARG 34 HH11 ARG 34 -4.021 13.426 4.791
261 HH12 ARG 34 HH12 ARG 34 -4.535 14.951 5.442
262 HH21 ARG 34 HH21 ARG 34 -4.477 16.623 2.362
263 HH22 ARG 34 HH22 ARG 34 -4.794 16.771 4.061
264 H GLN 35 H GLN 35 -7.385 11.489 1.931
265 HA GLN 35 HA GLN 35 -6.596 11.238 4.570
266 HB2 GLN 35 HB2 GLN 35 -9.365 10.603 3.551
267 HB3 GLN 35 HB3 GLN 35 -8.934 11.167 5.158
268 HG2 GLN 35 HG2 GLN 35 -8.143 13.293 4.097
269 HG3 GLN 35 HG3 GLN 35 -8.825 12.703 2.581
270 HE21 GLN 35 HE21 GLN 35 -11.060 11.388 3.937
271 HE22 GLN 35 HE22 GLN 35 -12.145 12.658 4.383
272 H LYS 36 H LYS 36 -8.371 8.828 2.640
273 HA LYS 36 HA LYS 36 -8.036 6.843 4.692
274 HB2 LYS 36 HB2 LYS 36 -9.176 5.326 3.049
275 HB3 LYS 36 HB3 LYS 36 -10.108 6.723 3.537
276 HG2 LYS 36 HG2 LYS 36 -9.067 7.766 1.355
277 HG3 LYS 36 HG3 LYS 36 -8.892 6.065 0.914
278 HD2 LYS 36 HD2 LYS 36 -11.457 7.435 1.727
279 HD3 LYS 36 HD3 LYS 36 -11.004 6.963 0.089
280 HE2 LYS 36 HE2 LYS 36 -11.470 4.785 0.446
281 HE3 LYS 36 HE3 LYS 36 -10.919 4.837 2.113
282 HZ1 LYS 36 HZ1 LYS 36 -13.316 4.493 1.869
283 HZ2 LYS 36 HZ2 LYS 36 -13.464 5.972 1.210
284 HZ3 LYS 36 HZ3 LYS 36 -12.961 5.817 2.745
285 H THR 37 H THR 37 -6.992 4.873 4.461
286 HA THR 37 HA THR 37 -4.552 5.110 2.824
287 HB THR 37 HB THR 37 -4.793 3.644 5.445
288 HG1 THR 37 HG1 THR 37 -5.351 5.811 5.821
289 HG21 THR 37 HG21 THR 37 -2.396 3.920 5.527
290 HG22 THR 37 HG22 THR 37 -2.422 4.893 4.058
291 HG23 THR 37 HG23 THR 37 -2.840 3.181 3.989
292 H CYS 38 H CYS 38 -3.813 3.276 1.753
293 HA CYS 38 HA CYS 38 -5.760 1.134 1.481
294 HB2 CYS 38 HB2 CYS 38 -4.256 2.368 -0.363
295 HB3 CYS 38 HB3 CYS 38 -3.140 1.077 0.064
296 H CYS 39 H CYS 39 -5.657 -0.316 3.103
297 HA CYS 39 HA CYS 39 -2.998 -1.030 4.136
298 HB2 CYS 39 HB2 CYS 39 -5.700 -1.237 5.468
299 HB3 CYS 39 HB3 CYS 39 -4.167 -1.718 6.183
300 H VAL 40 H VAL 40 -2.265 -2.849 3.358
301 HA VAL 40 HA VAL 40 -4.164 -5.027 2.766
302 HB VAL 40 HB VAL 40 -2.655 -4.049 0.922
303 HG11 VAL 40 HG11 VAL 40 -0.597 -3.940 2.163
304 HG12 VAL 40 HG12 VAL 40 -0.411 -4.988 0.760
305 HG13 VAL 40 HG13 VAL 40 -0.592 -5.689 2.368
306 HG21 VAL 40 HG21 VAL 40 -2.660 -7.019 1.436
307 HG22 VAL 40 HG22 VAL 40 -2.337 -6.246 -0.120
308 HG23 VAL 40 HG23 VAL 40 -3.925 -6.089 0.628
309 H ASP 41 H ASP 41 -3.585 -7.195 3.421
310 HA ASP 41 HA ASP 41 -2.298 -7.357 5.909
311 HB2 ASP 41 HB2 ASP 41 -2.668 -9.777 5.606
312 HB3 ASP 41 HB3 ASP 41 -4.115 -8.837 5.377
313 H THR 42 H THR 42 -0.240 -6.690 5.790
314 HA THR 42 HA THR 42 1.417 -7.393 3.562
315 HB THR 42 HB THR 42 3.136 -6.052 4.941
316 HG1 THR 42 HG1 THR 42 1.911 -6.341 6.936
317 HG21 THR 42 HG21 THR 42 1.786 -5.166 3.036
318 HG22 THR 42 HG22 THR 42 2.187 -3.955 4.249
319 HG23 THR 42 HG23 THR 42 0.566 -4.646 4.199
320 H THR 43 H THR 43 1.445 -9.721 3.908
321 HA THR 43 HA THR 43 3.565 -10.416 5.811
322 HB THR 43 HB THR 43 1.720 -11.753 6.381
323 HG1 THR 43 HG1 THR 43 2.455 -13.914 5.422
324 HG21 THR 43 HG21 THR 43 0.218 -12.789 4.967
325 HG22 THR 43 HG22 THR 43 1.360 -12.864 3.633
326 HG23 THR 43 HG23 THR 43 0.607 -11.327 4.059
327 H SER 44 H SER 44 2.480 -11.909 2.735
328 HA SER 44 HA SER 44 5.253 -11.909 1.821
329 HB2 SER 44 HB2 SER 44 3.920 -14.019 1.732
330 HB3 SER 44 HB3 SER 44 2.849 -13.232 0.580
331 HG SER 44 HG SER 44 5.225 -14.423 0.150
332 H ASP 45 H ASP 45 2.024 -10.964 0.732
333 HA ASP 45 HA ASP 45 2.750 -9.914 -1.767
334 HB2 ASP 45 HB2 ASP 45 0.336 -9.160 -0.109
335 HB3 ASP 45 HB3 ASP 45 0.502 -9.020 -1.854
336 H PHE 46 H PHE 46 3.234 -8.684 1.290
337 HA PHE 46 HA PHE 46 2.725 -5.967 1.075
338 HB2 PHE 46 HB2 PHE 46 3.997 -5.678 3.033
339 HB3 PHE 46 HB3 PHE 46 3.255 -7.261 3.140
340 HD1 PHE 46 HD1 PHE 46 4.897 -8.925 1.572
341 HD2 PHE 46 HD2 PHE 46 5.992 -5.812 4.207
342 HE1 PHE 46 HE1 PHE 46 7.027 -10.058 1.970
343 HE2 PHE 46 HE2 PHE 46 8.157 -6.905 4.619
344 HZ PHE 46 HZ PHE 46 8.693 -9.038 3.494
345 H HIS 47 H HIS 47 5.108 -7.816 -0.336
346 HA HIS 47 HA HIS 47 7.199 -6.070 -0.820
347 HB2 HIS 47 HB2 HIS 47 7.598 -8.270 -1.386
348 HB3 HIS 47 HB3 HIS 47 6.035 -8.470 -2.160
349 HD1 HIS 47 HD1 HIS 47 9.279 -6.591 -2.864
350 HD2 HIS 47 HD2 HIS 47 6.201 -8.600 -4.795
351 HE1 HIS 47 HE1 HIS 47 9.884 -6.542 -5.290
352 HE2 HIS 47 HE2 HIS 47 7.952 -7.660 -6.473
353 H THR 48 H THR 48 4.071 -5.533 -1.621
354 HA THR 48 HA THR 48 3.776 -4.634 -4.172
355 HB THR 48 HB THR 48 2.653 -3.398 -1.676
356 HG1 THR 48 HG1 THR 48 2.409 -5.855 -2.631
357 HG21 THR 48 HG21 THR 48 1.520 -3.466 -4.467
358 HG22 THR 48 HG22 THR 48 2.188 -2.047 -3.657
359 HG23 THR 48 HG23 THR 48 0.726 -2.812 -3.034
360 H CYS 49 H CYS 49 6.012 -3.214 -2.041
361 HA CYS 49 HA CYS 49 5.838 -0.529 -2.145
362 HB2 CYS 49 HB2 CYS 49 7.784 -0.892 -1.123
363 HB3 CYS 49 HB3 CYS 49 8.070 -2.395 -1.982
364 H GLN 50 H GLN 50 7.250 -2.387 -4.890
365 HA GLN 50 HA GLN 50 7.944 -0.096 -6.354
366 HB2 GLN 50 HB2 GLN 50 8.395 -1.532 -8.184
367 HB3 GLN 50 HB3 GLN 50 8.835 -2.413 -6.741
368 HG2 GLN 50 HG2 GLN 50 6.261 -2.772 -8.264
369 HG3 GLN 50 HG3 GLN 50 7.685 -3.793 -8.435
370 HE21 GLN 50 HE21 GLN 50 8.373 -3.851 -5.662
371 HE22 GLN 50 HE22 GLN 50 7.169 -4.793 -4.850
372 H ASP 51 H ASP 51 4.914 -1.761 -6.041
373 HA ASP 51 HA ASP 51 3.743 -0.596 -8.411
374 HB2 ASP 51 HB2 ASP 51 3.052 -2.822 -7.446
375 HB3 ASP 51 HB3 ASP 51 2.323 -1.943 -6.103
376 H LYS 52 H LYS 52 3.844 0.055 -4.970
377 HA LYS 52 HA LYS 52 1.785 2.035 -4.994
378 HB2 LYS 52 HB2 LYS 52 1.905 1.364 -2.861
379 HB3 LYS 52 HB3 LYS 52 3.468 0.623 -3.113
380 HG2 LYS 52 HG2 LYS 52 3.868 2.124 -1.452
381 HG3 LYS 52 HG3 LYS 52 4.384 3.009 -2.878
382 HD2 LYS 52 HD2 LYS 52 2.058 4.024 -2.926
383 HD3 LYS 52 HD3 LYS 52 1.821 3.335 -1.321
384 HE2 LYS 52 HE2 LYS 52 4.087 5.189 -2.018
385 HE3 LYS 52 HE3 LYS 52 2.545 5.743 -1.375
386 HZ1 LYS 52 HZ1 LYS 52 2.982 4.366 0.557
387 HZ2 LYS 52 HZ2 LYS 52 4.131 5.502 0.358
388 HZ3 LYS 52 HZ3 LYS 52 4.438 3.949 -0.039
389 H GLY 53 H GLY 53 5.131 1.964 -5.699
390 HA2 GLY 53 HA2 GLY 53 5.994 3.926 -6.922
391 HA3 GLY 53 HA3 GLY 53 5.210 4.917 -5.699
392 H GLY 54 H GLY 54 6.824 1.976 -4.825
393 HA2 GLY 54 HA2 GLY 54 8.568 3.266 -3.008
394 HA3 GLY 54 HA3 GLY 54 8.654 1.574 -3.497
395 H HIS 55 H HIS 55 10.566 4.009 -3.209
396 HA HIS 55 HA HIS 55 11.731 3.949 -5.905
397 HB2 HIS 55 HB2 HIS 55 12.055 5.883 -3.617
398 HB3 HIS 55 HB3 HIS 55 13.087 5.913 -5.041
399 HD1 HIS 55 HD1 HIS 55 12.161 6.994 -7.137
400 HD2 HIS 55 HD2 HIS 55 9.327 6.570 -4.119
401 HE1 HIS 55 HE1 HIS 55 10.165 8.332 -7.886
402 HE2 HIS 55 HE2 HIS 55 8.411 7.925 -6.121
403 H CYS 56 H CYS 56 14.228 4.300 -5.775
404 HA CYS 56 HA CYS 56 15.355 2.463 -3.783
405 HB2 CYS 56 HB2 CYS 56 15.770 2.451 -6.767
406 HB3 CYS 56 HB3 CYS 56 16.893 1.673 -5.657
407 H VAL 57 H VAL 57 16.940 3.389 -2.688
408 HA VAL 57 HA VAL 57 18.458 5.536 -4.000
409 HB VAL 57 HB VAL 57 18.419 6.865 -1.974
410 HG11 VAL 57 HG11 VAL 57 16.092 7.568 -1.997
411 HG12 VAL 57 HG12 VAL 57 15.644 6.067 -2.808
412 HG13 VAL 57 HG13 VAL 57 16.678 7.236 -3.629
413 HG21 VAL 57 HG21 VAL 57 18.262 5.135 -0.297
414 HG22 VAL 57 HG22 VAL 57 16.637 4.717 -0.841
415 HG23 VAL 57 HG23 VAL 57 16.940 6.285 -0.088
416 H SER 58 H SER 58 20.565 5.704 -3.498
417 HA SER 58 HA SER 58 21.834 3.351 -2.488
418 HB2 SER 58 HB2 SER 58 23.906 4.534 -3.161
419 HB3 SER 58 HB3 SER 58 22.703 4.534 -4.441
420 HG SER 58 HG SER 58 23.023 6.600 -4.435
421 HA PRO 59 HA PRO 59 22.865 4.295 1.743
422 HB2 PRO 59 HB2 PRO 59 25.695 4.582 0.839
423 HB3 PRO 59 HB3 PRO 59 25.038 3.680 2.208
424 HG2 PRO 59 HG2 PRO 59 25.772 2.471 -0.079
425 HG3 PRO 59 HG3 PRO 59 24.421 1.891 0.907
426 HD2 PRO 59 HD2 PRO 59 24.386 3.218 -1.718
427 HD3 PRO 59 HD3 PRO 59 23.149 2.215 -0.946
428 H LYS 60 H LYS 60 24.579 6.286 -0.668
429 HA LYS 60 HA LYS 60 25.145 8.411 1.117
430 HB2 LYS 60 HB2 LYS 60 25.813 9.661 -0.839
431 HB3 LYS 60 HB3 LYS 60 26.423 8.022 -0.945
432 HG2 LYS 60 HG2 LYS 60 24.649 7.444 -2.498
433 HG3 LYS 60 HG3 LYS 60 23.988 9.071 -2.367
434 HD2 LYS 60 HD2 LYS 60 26.807 8.572 -3.278
435 HD3 LYS 60 HD3 LYS 60 25.450 8.531 -4.400
436 HE2 LYS 60 HE2 LYS 60 26.258 10.714 -4.571
437 HE3 LYS 60 HE3 LYS 60 24.873 10.857 -3.497
438 HZ1 LYS 60 HZ1 LYS 60 26.353 10.972 -1.655
439 HZ2 LYS 60 HZ2 LYS 60 26.829 12.077 -2.743
440 HZ3 LYS 60 HZ3 LYS 60 27.656 10.689 -2.587
441 H ILE 61 H ILE 61 22.241 7.532 -0.472
442 HA ILE 61 HA ILE 61 21.238 10.228 -0.770
443 HB ILE 61 HB ILE 61 19.688 7.647 -0.904
444 HG12 ILE 61 HG12 ILE 61 21.663 7.797 -2.463
445 HG13 ILE 61 HG13 ILE 61 20.105 7.529 -3.231
446 HG21 ILE 61 HG21 ILE 61 18.314 9.639 -0.647
447 HG22 ILE 61 HG22 ILE 61 18.110 8.940 -2.252
448 HG23 ILE 61 HG23 ILE 61 19.107 10.377 -2.039
449 HD11 ILE 61 HD11 ILE 61 21.610 10.126 -3.084
450 HD12 ILE 61 HD12 ILE 61 20.020 9.904 -3.815
451 HD13 ILE 61 HD13 ILE 61 21.424 9.085 -4.497
452 H ARG 62 H ARG 62 20.064 11.311 0.646
453 HA ARG 62 HA ARG 62 19.336 9.941 3.128
454 HB2 ARG 62 HB2 ARG 62 19.813 12.873 2.583
455 HB3 ARG 62 HB3 ARG 62 19.222 12.239 4.118
456 HG2 ARG 62 HG2 ARG 62 21.247 10.842 4.277
457 HG3 ARG 62 HG3 ARG 62 21.853 11.599 2.805
458 HD2 ARG 62 HD2 ARG 62 21.861 13.767 3.897
459 HD3 ARG 62 HD3 ARG 62 21.186 13.050 5.362
460 HE ARG 62 HE ARG 62 23.648 11.837 4.495
461 HH11 ARG 62 HH11 ARG 62 22.268 14.459 6.361
462 HH12 ARG 62 HH12 ARG 62 23.641 14.599 7.410
463 HH21 ARG 62 HH21 ARG 62 25.451 12.014 5.881
464 HH22 ARG 62 HH22 ARG 62 25.452 13.215 7.133
465 H CYS 63 H CYS 63 17.542 9.040 2.428
466 HA CYS 63 HA CYS 63 15.204 10.766 2.071
467 HB2 CYS 63 HB2 CYS 63 15.799 9.938 -0.136
468 HB3 CYS 63 HB3 CYS 63 15.914 8.295 0.478
469 H LEU 64 H LEU 64 13.209 9.741 2.770
470 HA LEU 64 HA LEU 64 13.577 8.170 5.118
471 HB2 LEU 64 HB2 LEU 64 11.121 8.940 3.551
472 HB3 LEU 64 HB3 LEU 64 11.045 7.997 5.024
473 HG LEU 64 HG LEU 64 10.522 10.222 5.627
474 HD11 LEU 64 HD11 LEU 64 12.060 9.074 7.148
475 HD12 LEU 64 HD12 LEU 64 12.261 10.824 7.182
476 HD13 LEU 64 HD13 LEU 64 13.422 9.820 6.316
477 HD21 LEU 64 HD21 LEU 64 11.364 11.337 3.618
478 HD22 LEU 64 HD22 LEU 64 13.016 11.128 4.198
479 HD23 LEU 64 HD23 LEU 64 11.893 12.153 5.088
480 H GLU 65 H GLU 65 14.680 6.378 4.428
481 HA GLU 65 HA GLU 65 13.586 4.754 2.307
482 HB2 GLU 65 HB2 GLU 65 15.618 3.487 2.389
483 HB3 GLU 65 HB3 GLU 65 16.018 5.195 2.438
484 HG2 GLU 65 HG2 GLU 65 15.856 3.513 4.920
485 HG3 GLU 65 HG3 GLU 65 17.325 3.639 3.958
486 H GLU 66 H GLU 66 13.696 2.350 2.595
487 HA GLU 66 HA GLU 66 13.185 0.395 3.595
488 HB2 GLU 66 HB2 GLU 66 13.056 2.000 6.141
489 HB3 GLU 66 HB3 GLU 66 12.771 0.263 6.057
490 HG2 GLU 66 HG2 GLU 66 14.977 -0.131 5.254
491 HG3 GLU 66 HG3 GLU 66 15.269 1.599 5.091
492 H GLN 67 H GLN 67 11.479 1.315 2.071
493 HA GLN 67 HA GLN 67 8.868 1.549 3.273
494 HB2 GLN 67 HB2 GLN 67 9.379 2.587 1.084
495 HB3 GLN 67 HB3 GLN 67 9.632 0.988 0.399
496 HG2 GLN 67 HG2 GLN 67 7.315 0.417 0.777
497 HG3 GLN 67 HG3 GLN 67 7.039 1.958 1.584
498 HE21 GLN 67 HE21 GLN 67 5.750 0.821 -0.778
499 HE22 GLN 67 HE22 GLN 67 5.998 1.969 -2.050
500 H LEU 68 H LEU 68 9.680 -0.778 0.743
501 HA LEU 68 HA LEU 68 9.166 -3.006 2.553
502 HB2 LEU 68 HB2 LEU 68 7.533 -2.369 0.119
503 HB3 LEU 68 HB3 LEU 68 7.756 -4.031 0.616
504 HG LEU 68 HG LEU 68 5.692 -3.430 1.514
505 HD11 LEU 68 HD11 LEU 68 7.192 -4.500 3.149
506 HD12 LEU 68 HD12 LEU 68 5.949 -3.493 3.892
507 HD13 LEU 68 HD13 LEU 68 7.606 -2.903 3.772
508 HD21 LEU 68 HD21 LEU 68 5.778 -1.054 1.114
509 HD22 LEU 68 HD22 LEU 68 6.928 -0.850 2.437
510 HD23 LEU 68 HD23 LEU 68 5.275 -1.371 2.774
511 H GLY 69 H GLY 69 11.473 -3.314 2.204
512 HA2 GLY 69 HA2 GLY 69 12.337 -5.459 1.314
513 HA3 GLY 69 HA3 GLY 69 11.769 -4.920 -0.254
514 H LEU 70 H LEU 70 14.151 -5.781 -0.309
515 HA LEU 70 HA LEU 70 16.024 -3.531 -0.078
516 HB2 LEU 70 HB2 LEU 70 16.385 -5.977 0.841
517 HB3 LEU 70 HB3 LEU 70 16.788 -6.335 -0.823
518 HG LEU 70 HG LEU 70 18.203 -4.201 0.771
519 HD11 LEU 70 HD11 LEU 70 18.488 -6.334 1.901
520 HD12 LEU 70 HD12 LEU 70 19.987 -5.837 1.114
521 HD13 LEU 70 HD13 LEU 70 18.977 -7.087 0.384
522 HD21 LEU 70 HD21 LEU 70 18.997 -5.704 -1.716
523 HD22 LEU 70 HD22 LEU 70 19.931 -4.445 -0.909
524 HD23 LEU 70 HD23 LEU 70 18.391 -4.049 -1.671
525 H CYS 71 H CYS 71 16.908 -2.649 -1.886
526 HA CYS 71 HA CYS 71 15.488 -3.078 -4.342
527 HB2 CYS 71 HB2 CYS 71 17.539 -1.115 -3.388
528 HB3 CYS 71 HB3 CYS 71 17.115 -1.200 -5.096
529 HA PRO 72 HA PRO 72 18.040 -5.478 -7.081
530 HB2 PRO 72 HB2 PRO 72 18.727 -2.813 -8.293
531 HB3 PRO 72 HB3 PRO 72 18.373 -4.353 -9.099
532 HG2 PRO 72 HG2 PRO 72 16.491 -2.478 -8.869
533 HG3 PRO 72 HG3 PRO 72 16.095 -4.196 -8.693
534 HD2 PRO 72 HD2 PRO 72 16.201 -2.072 -6.646
535 HD3 PRO 72 HD3 PRO 72 15.325 -3.614 -6.629
536 H LEU 73 H LEU 73 19.742 -2.343 -6.516
537 HA LEU 73 HA LEU 73 22.263 -3.653 -6.214
538 HB2 LEU 73 HB2 LEU 73 21.432 -0.893 -5.327
539 HB3 LEU 73 HB3 LEU 73 23.057 -1.525 -5.216
540 HG LEU 73 HG LEU 73 23.201 -0.238 -7.059
541 HD11 LEU 73 HD11 LEU 73 23.925 -2.488 -7.606
542 HD12 LEU 73 HD12 LEU 73 23.332 -1.618 -9.021
543 HD13 LEU 73 HD13 LEU 73 22.322 -2.845 -8.252
544 HD21 LEU 73 HD21 LEU 73 21.033 0.582 -7.298
545 HD22 LEU 73 HD22 LEU 73 20.383 -1.012 -7.700
546 HD23 LEU 73 HD23 LEU 73 21.420 -0.167 -8.849
547 H LYS 74 H LYS 74 23.350 -4.158 -4.395
548 HA LYS 74 HA LYS 74 21.640 -5.256 -2.402
549 HB2 LYS 74 HB2 LYS 74 23.679 -6.380 -3.236
550 HB3 LYS 74 HB3 LYS 74 24.655 -5.144 -2.454
551 HG2 LYS 74 HG2 LYS 74 24.605 -7.143 -1.104
552 HG3 LYS 74 HG3 LYS 74 23.759 -5.835 -0.276
553 HD2 LYS 74 HD2 LYS 74 21.615 -6.753 -1.060
554 HD3 LYS 74 HD3 LYS 74 22.482 -8.082 -1.832
555 HE2 LYS 74 HE2 LYS 74 22.404 -7.449 1.113
556 HE3 LYS 74 HE3 LYS 74 21.595 -8.792 0.306
557 HZ1 LYS 74 HZ1 LYS 74 24.493 -8.406 0.554
558 HZ2 LYS 74 HZ2 LYS 74 23.799 -9.595 -0.314
559 HZ3 LYS 74 HZ3 LYS 74 23.598 -9.548 1.297
560 H ARG 75 H ARG 75 23.562 -2.384 -2.570
561 HA ARG 75 HA ARG 75 23.539 -1.995 0.315
562 HB2 ARG 75 HB2 ARG 75 24.650 -0.334 -1.937
563 HB3 ARG 75 HB3 ARG 75 24.794 0.078 -0.232
564 HG2 ARG 75 HG2 ARG 75 26.128 -1.831 0.206
565 HG3 ARG 75 HG3 ARG 75 25.807 -2.493 -1.397
566 HD2 ARG 75 HD2 ARG 75 27.278 0.067 -0.831
567 HD3 ARG 75 HD3 ARG 75 28.036 -1.477 -1.217
568 HE ARG 75 HE ARG 75 26.138 -0.675 -3.204
569 HH11 ARG 75 HH11 ARG 75 29.416 -0.232 -2.071
570 HH12 ARG 75 HH12 ARG 75 30.027 0.270 -3.616
571 HH21 ARG 75 HH21 ARG 75 26.926 0.004 -5.248
572 HH22 ARG 75 HH22 ARG 75 28.606 0.402 -5.428
573 H TRP 76 H TRP 76 21.357 -1.518 -2.083
574 HA TRP 76 HA TRP 76 20.530 1.147 -1.196
575 HB2 TRP 76 HB2 TRP 76 19.658 -0.501 -3.571
576 HB3 TRP 76 HB3 TRP 76 19.039 1.095 -3.173
577 HD1 TRP 76 HD1 TRP 76 22.761 0.024 -3.190
578 HE1 TRP 76 HE1 TRP 76 23.997 1.485 -4.909
579 HE3 TRP 76 HE3 TRP 76 18.796 2.688 -4.984
580 HZ2 TRP 76 HZ2 TRP 76 23.360 3.485 -6.760
581 HZ3 TRP 76 HZ3 TRP 76 19.191 4.386 -6.703
582 HH2 TRP 76 HH2 TRP 76 21.442 4.786 -7.560
583 H THR 77 H THR 77 18.559 1.555 -0.347
584 HA THR 77 HA THR 77 16.945 -0.795 0.388
585 HB THR 77 HB THR 77 16.927 1.928 1.701
586 HG1 THR 77 HG1 THR 77 18.900 0.333 1.825
587 HG21 THR 77 HG21 THR 77 15.802 -0.751 2.513
588 HG22 THR 77 HG22 THR 77 14.885 0.679 2.038
589 HG23 THR 77 HG23 THR 77 15.822 0.687 3.531
590 H CYS 78 H CYS 78 14.754 -0.803 -0.062
591 HA CYS 78 HA CYS 78 13.742 0.950 -2.053
592 HB2 CYS 78 HB2 CYS 78 12.843 -1.307 -1.818
593 HB3 CYS 78 HB3 CYS 78 12.310 -0.953 -0.179
594 H CYS 79 H CYS 79 13.050 2.963 -1.773
595 HA CYS 79 HA CYS 79 12.632 3.854 0.991
596 HB2 CYS 79 HB2 CYS 79 14.462 4.994 0.126
597 HB3 CYS 79 HB3 CYS 79 13.713 5.230 -1.446
598 H LYS 80 H LYS 80 10.913 5.101 1.568
599 HA LYS 80 HA LYS 80 8.622 4.725 -0.183
600 HB2 LYS 80 HB2 LYS 80 8.586 4.048 2.250
601 HB3 LYS 80 HB3 LYS 80 8.609 5.763 2.645
602 HG2 LYS 80 HG2 LYS 80 6.552 5.992 1.200
603 HG3 LYS 80 HG3 LYS 80 6.487 4.229 1.184
604 HD2 LYS 80 HD2 LYS 80 6.466 5.936 3.663
605 HD3 LYS 80 HD3 LYS 80 5.038 5.247 2.892
606 HE2 LYS 80 HE2 LYS 80 5.897 3.003 3.274
607 HE3 LYS 80 HE3 LYS 80 7.358 3.671 3.998
608 HZ1 LYS 80 HZ1 LYS 80 6.073 4.517 5.775
609 HZ2 LYS 80 HZ2 LYS 80 5.665 2.955 5.604
610 HZ3 LYS 80 HZ3 LYS 80 4.665 4.113 5.067
611 H GLU 81 H GLU 81 8.790 6.315 -1.682
612 HA GLU 81 HA GLU 81 8.108 8.276 -2.590
613 HB2 GLU 81 HB2 GLU 81 7.064 8.787 0.196
614 HB3 GLU 81 HB3 GLU 81 6.704 9.782 -1.208
615 HG2 GLU 81 HG2 GLU 81 5.467 8.081 -2.237
616 HG3 GLU 81 HG3 GLU 81 6.106 6.847 -1.157
617 H ILE 82 H ILE 82 10.143 9.031 -3.048
618 HA ILE 82 HA ILE 82 11.738 10.490 -1.182
619 HB ILE 82 HB ILE 82 11.926 10.562 -4.201
620 HG12 ILE 82 HG12 ILE 82 13.365 8.747 -2.243
621 HG13 ILE 82 HG13 ILE 82 12.091 8.248 -3.354
622 HG21 ILE 82 HG21 ILE 82 13.931 11.227 -2.048
623 HG22 ILE 82 HG22 ILE 82 13.116 12.372 -3.112
624 HG23 ILE 82 HG23 ILE 82 14.262 11.210 -3.781
625 HD11 ILE 82 HD11 ILE 82 13.515 8.816 -5.252
626 HD12 ILE 82 HD12 ILE 82 14.292 7.638 -4.192
627 HD13 ILE 82 HD13 ILE 82 14.789 9.329 -4.146
Start of MODEL 4
1 H1 LEU 1 H1 LEU 1 -18.122 4.459 -4.133
2 H2 LEU 1 H2 LEU 1 -18.107 2.915 -3.636
3 H3 LEU 1 H3 LEU 1 -17.479 3.306 -5.084
4 HA LEU 1 HA LEU 1 -16.437 4.166 -2.494
5 HB2 LEU 1 HB2 LEU 1 -15.503 2.095 -4.466
6 HB3 LEU 1 HB3 LEU 1 -14.438 2.774 -3.258
7 HG LEU 1 HG LEU 1 -16.963 1.268 -2.683
8 HD11 LEU 1 HD11 LEU 1 -15.285 -0.182 -3.673
9 HD12 LEU 1 HD12 LEU 1 -15.495 -0.546 -1.960
10 HD13 LEU 1 HD13 LEU 1 -14.097 0.383 -2.500
11 HD21 LEU 1 HD21 LEU 1 -14.777 2.261 -0.868
12 HD22 LEU 1 HD22 LEU 1 -16.100 1.206 -0.376
13 HD23 LEU 1 HD23 LEU 1 -16.441 2.846 -0.925
14 HA PRO 2 HA PRO 2 -14.089 7.351 -4.491
15 HB2 PRO 2 HB2 PRO 2 -11.649 6.097 -3.337
16 HB3 PRO 2 HB3 PRO 2 -12.234 7.759 -3.197
17 HG2 PRO 2 HG2 PRO 2 -12.469 6.100 -1.146
18 HG3 PRO 2 HG3 PRO 2 -13.810 7.199 -1.558
19 HD2 PRO 2 HD2 PRO 2 -13.496 4.274 -2.155
20 HD3 PRO 2 HD3 PRO 2 -14.934 5.148 -1.593
21 H ARG 3 H ARG 3 -12.266 7.729 -5.970
22 HA ARG 3 HA ARG 3 -12.666 6.361 -8.289
23 HB2 ARG 3 HB2 ARG 3 -11.638 8.582 -8.109
24 HB3 ARG 3 HB3 ARG 3 -10.161 7.845 -7.506
25 HG2 ARG 3 HG2 ARG 3 -9.949 6.623 -9.647
26 HG3 ARG 3 HG3 ARG 3 -11.367 7.492 -10.241
27 HD2 ARG 3 HD2 ARG 3 -8.720 8.657 -9.406
28 HD3 ARG 3 HD3 ARG 3 -9.410 8.621 -11.028
29 HE ARG 3 HE ARG 3 -11.260 10.032 -9.870
30 HH11 ARG 3 HH11 ARG 3 -7.804 10.243 -9.331
31 HH12 ARG 3 HH12 ARG 3 -7.864 11.891 -8.798
32 HH21 ARG 3 HH21 ARG 3 -11.331 12.207 -9.170
33 HH22 ARG 3 HH22 ARG 3 -9.861 13.007 -8.711
34 H ASP 4 H ASP 4 -9.966 5.809 -6.027
35 HA ASP 4 HA ASP 4 -9.170 3.559 -7.748
36 HB2 ASP 4 HB2 ASP 4 -7.508 5.355 -6.002
37 HB3 ASP 4 HB3 ASP 4 -6.900 3.833 -6.644
38 H THR 5 H THR 5 -10.923 3.833 -5.101
39 HA THR 5 HA THR 5 -9.501 2.206 -3.246
40 HB THR 5 HB THR 5 -12.465 2.778 -3.398
41 HG1 THR 5 HG1 THR 5 -10.749 3.916 -1.497
42 HG21 THR 5 HG21 THR 5 -12.500 2.119 -1.037
43 HG22 THR 5 HG22 THR 5 -10.793 1.688 -1.127
44 HG23 THR 5 HG23 THR 5 -11.983 0.778 -2.060
45 H SER 6 H SER 6 -12.029 1.492 -5.649
46 HA SER 6 HA SER 6 -12.291 -1.236 -4.953
47 HB2 SER 6 HB2 SER 6 -13.995 0.022 -6.214
48 HB3 SER 6 HB3 SER 6 -12.902 0.116 -7.590
49 HG SER 6 HG SER 6 -13.048 -2.085 -7.850
50 H ARG 7 H ARG 7 -10.097 0.520 -7.004
51 HA ARG 7 HA ARG 7 -8.898 -1.779 -8.210
52 HB2 ARG 7 HB2 ARG 7 -8.653 0.339 -9.328
53 HB3 ARG 7 HB3 ARG 7 -7.970 1.082 -7.887
54 HG2 ARG 7 HG2 ARG 7 -6.421 -1.207 -8.695
55 HG3 ARG 7 HG3 ARG 7 -6.583 -0.051 -10.019
56 HD2 ARG 7 HD2 ARG 7 -5.720 0.703 -7.230
57 HD3 ARG 7 HD3 ARG 7 -4.590 0.263 -8.506
58 HE ARG 7 HE ARG 7 -6.454 2.516 -8.866
59 HH11 ARG 7 HH11 ARG 7 -3.184 1.240 -8.796
60 HH12 ARG 7 HH12 ARG 7 -2.463 2.728 -9.312
61 HH21 ARG 7 HH21 ARG 7 -5.499 4.472 -9.538
62 HH22 ARG 7 HH22 ARG 7 -3.769 4.565 -9.729
63 H CYS 8 H CYS 8 -8.142 0.301 -5.468
64 HA CYS 8 HA CYS 8 -5.587 -0.785 -4.961
65 HB2 CYS 8 HB2 CYS 8 -6.822 1.428 -4.156
66 HB3 CYS 8 HB3 CYS 8 -7.164 0.416 -2.761
67 H VAL 9 H VAL 9 -8.793 -1.487 -3.664
68 HA VAL 9 HA VAL 9 -8.111 -2.818 -1.350
69 HB VAL 9 HB VAL 9 -10.389 -2.160 -1.858
70 HG11 VAL 9 HG11 VAL 9 -10.387 -4.381 -3.890
71 HG12 VAL 9 HG12 VAL 9 -10.411 -2.650 -4.234
72 HG13 VAL 9 HG13 VAL 9 -11.782 -3.408 -3.419
73 HG21 VAL 9 HG21 VAL 9 -11.572 -4.164 -1.080
74 HG22 VAL 9 HG22 VAL 9 -10.077 -3.893 -0.185
75 HG23 VAL 9 HG23 VAL 9 -10.142 -5.135 -1.434
76 H GLY 10 H GLY 10 -8.207 -4.118 -4.632
77 HA2 GLY 10 HA2 GLY 10 -7.674 -6.809 -3.689
78 HA3 GLY 10 HA3 GLY 10 -7.802 -6.295 -5.366
79 H TYR 11 H TYR 11 -5.838 -4.055 -4.659
80 HA TYR 11 HA TYR 11 -3.518 -5.682 -5.362
81 HB2 TYR 11 HB2 TYR 11 -4.185 -2.773 -5.696
82 HB3 TYR 11 HB3 TYR 11 -2.541 -3.361 -5.889
83 HD1 TYR 11 HD1 TYR 11 -2.919 -5.909 -7.257
84 HD2 TYR 11 HD2 TYR 11 -4.922 -2.202 -7.816
85 HE1 TYR 11 HE1 TYR 11 -3.400 -6.530 -9.581
86 HE2 TYR 11 HE2 TYR 11 -5.413 -2.813 -10.146
87 HH TYR 11 HH TYR 11 -5.025 -5.968 -11.335
88 H HIS 12 H HIS 12 -4.181 -2.852 -3.300
89 HA HIS 12 HA HIS 12 -1.753 -3.549 -1.780
90 HB2 HIS 12 HB2 HIS 12 -2.804 -0.741 -1.883
91 HB3 HIS 12 HB3 HIS 12 -1.162 -1.304 -1.605
92 HD1 HIS 12 HD1 HIS 12 -3.007 0.428 -4.031
93 HD2 HIS 12 HD2 HIS 12 -0.203 -2.631 -4.214
94 HE1 HIS 12 HE1 HIS 12 -2.128 0.455 -6.389
95 HE2 HIS 12 HE2 HIS 12 -0.433 -1.418 -6.489
96 H GLY 13 H GLY 13 -4.848 -3.949 -1.504
97 HA2 GLY 13 HA2 GLY 13 -5.727 -4.734 0.567
98 HA3 GLY 13 HA3 GLY 13 -4.728 -3.554 1.398
99 H TYR 14 H TYR 14 -7.037 -3.469 2.393
100 HA TYR 14 HA TYR 14 -8.949 -1.963 0.817
101 HB2 TYR 14 HB2 TYR 14 -10.412 -2.172 2.808
102 HB3 TYR 14 HB3 TYR 14 -9.834 -3.726 2.225
103 HD1 TYR 14 HD1 TYR 14 -9.814 -1.354 4.971
104 HD2 TYR 14 HD2 TYR 14 -8.149 -4.984 3.518
105 HE1 TYR 14 HE1 TYR 14 -9.009 -1.874 7.233
106 HE2 TYR 14 HE2 TYR 14 -7.338 -5.519 5.774
107 HH TYR 14 HH TYR 14 -8.378 -3.858 8.544
108 H CYS 15 H CYS 15 -9.940 0.046 1.786
109 HA CYS 15 HA CYS 15 -7.619 1.669 2.564
110 HB2 CYS 15 HB2 CYS 15 -8.489 1.875 0.202
111 HB3 CYS 15 HB3 CYS 15 -9.934 2.603 0.893
112 H ILE 16 H ILE 16 -7.865 2.045 4.627
113 HA ILE 16 HA ILE 16 -10.473 2.769 5.723
114 HB ILE 16 HB ILE 16 -9.448 2.472 7.937
115 HG12 ILE 16 HG12 ILE 16 -6.998 1.613 6.385
116 HG13 ILE 16 HG13 ILE 16 -7.134 3.062 7.373
117 HG21 ILE 16 HG21 ILE 16 -10.578 0.625 6.894
118 HG22 ILE 16 HG22 ILE 16 -9.188 0.039 7.806
119 HG23 ILE 16 HG23 ILE 16 -9.102 0.164 6.046
120 HD11 ILE 16 HD11 ILE 16 -7.431 1.684 9.360
121 HD12 ILE 16 HD12 ILE 16 -5.920 1.308 8.534
122 HD13 ILE 16 HD13 ILE 16 -7.305 0.229 8.374
123 H ARG 17 H ARG 17 -9.877 4.351 7.804
124 HA ARG 17 HA ARG 17 -9.480 6.840 6.520
125 HB2 ARG 17 HB2 ARG 17 -9.665 7.792 8.793
126 HB3 ARG 17 HB3 ARG 17 -10.946 6.637 8.454
127 HG2 ARG 17 HG2 ARG 17 -9.754 4.938 9.735
128 HG3 ARG 17 HG3 ARG 17 -8.451 6.084 10.050
129 HD2 ARG 17 HD2 ARG 17 -9.965 7.504 11.299
130 HD3 ARG 17 HD3 ARG 17 -11.320 6.442 10.918
131 HE ARG 17 HE ARG 17 -9.863 4.701 12.155
132 HH11 ARG 17 HH11 ARG 17 -10.150 8.091 12.985
133 HH12 ARG 17 HH12 ARG 17 -9.804 7.841 14.664
134 HH21 ARG 17 HH21 ARG 17 -9.403 4.368 14.370
135 HH22 ARG 17 HH22 ARG 17 -9.379 5.723 15.453
136 H SER 18 H SER 18 -7.385 4.955 8.733
137 HA SER 18 HA SER 18 -5.208 6.812 8.147
138 HB2 SER 18 HB2 SER 18 -6.194 6.212 10.936
139 HB3 SER 18 HB3 SER 18 -4.751 7.143 10.543
140 HG SER 18 HG SER 18 -6.651 8.260 9.165
141 H LYS 19 H LYS 19 -3.378 6.036 9.942
142 HA LYS 19 HA LYS 19 -2.498 3.590 8.683
143 HB2 LYS 19 HB2 LYS 19 -0.949 4.959 10.843
144 HB3 LYS 19 HB3 LYS 19 -0.367 4.180 9.380
145 HG2 LYS 19 HG2 LYS 19 -1.827 6.808 9.470
146 HG3 LYS 19 HG3 LYS 19 -0.087 6.612 9.353
147 HD2 LYS 19 HD2 LYS 19 -0.206 5.738 7.193
148 HD3 LYS 19 HD3 LYS 19 -1.919 5.344 7.354
149 HE2 LYS 19 HE2 LYS 19 -1.552 7.290 5.899
150 HE3 LYS 19 HE3 LYS 19 -2.496 7.697 7.332
151 HZ1 LYS 19 HZ1 LYS 19 0.384 8.190 7.037
152 HZ2 LYS 19 HZ2 LYS 19 -0.537 8.634 8.299
153 HZ3 LYS 19 HZ3 LYS 19 -0.772 9.318 6.846
154 H VAL 20 H VAL 20 -4.652 3.693 10.742
155 HA VAL 20 HA VAL 20 -3.636 2.292 13.055
156 HB VAL 20 HB VAL 20 -6.547 2.516 12.303
157 HG11 VAL 20 HG11 VAL 20 -6.878 2.532 14.727
158 HG12 VAL 20 HG12 VAL 20 -5.134 2.424 14.966
159 HG13 VAL 20 HG13 VAL 20 -6.002 1.092 14.204
160 HG21 VAL 20 HG21 VAL 20 -4.879 4.619 13.678
161 HG22 VAL 20 HG22 VAL 20 -6.633 4.658 13.484
162 HG23 VAL 20 HG23 VAL 20 -5.586 4.740 12.068
163 H CYS 21 H CYS 21 -3.107 1.051 10.529
164 HA CYS 21 HA CYS 21 -4.889 -1.025 9.893
165 HB2 CYS 21 HB2 CYS 21 -1.895 -1.015 9.513
166 HB3 CYS 21 HB3 CYS 21 -3.090 -1.885 8.554
167 HA PRO 22 HA PRO 22 -4.031 -3.937 13.208
168 HB2 PRO 22 HB2 PRO 22 -5.166 -6.106 12.030
169 HB3 PRO 22 HB3 PRO 22 -6.115 -4.823 12.789
170 HG2 PRO 22 HG2 PRO 22 -5.494 -5.262 9.895
171 HG3 PRO 22 HG3 PRO 22 -7.025 -4.787 10.652
172 HD2 PRO 22 HD2 PRO 22 -5.380 -3.005 9.450
173 HD3 PRO 22 HD3 PRO 22 -6.391 -2.578 10.845
174 H LYS 23 H LYS 23 -3.255 -6.457 13.053
175 HA LYS 23 HA LYS 23 -1.036 -6.457 11.134
176 HB2 LYS 23 HB2 LYS 23 0.151 -6.185 13.060
177 HB3 LYS 23 HB3 LYS 23 -1.111 -6.872 14.064
178 HG2 LYS 23 HG2 LYS 23 0.517 -8.650 12.303
179 HG3 LYS 23 HG3 LYS 23 1.174 -8.071 13.838
180 HD2 LYS 23 HD2 LYS 23 -0.806 -8.963 14.994
181 HD3 LYS 23 HD3 LYS 23 -1.412 -9.577 13.456
182 HE2 LYS 23 HE2 LYS 23 -0.351 -11.379 14.648
183 HE3 LYS 23 HE3 LYS 23 0.647 -10.954 13.258
184 HZ1 LYS 23 HZ1 LYS 23 1.143 -10.033 15.999
185 HZ2 LYS 23 HZ2 LYS 23 2.098 -9.766 14.712
186 HZ3 LYS 23 HZ3 LYS 23 1.923 -11.275 15.291
187 HA PRO 24 HA PRO 24 0.353 -7.606 10.346
188 HB2 PRO 24 HB2 PRO 24 0.994 -9.067 8.214
189 HB3 PRO 24 HB3 PRO 24 1.284 -9.674 9.848
190 HG2 PRO 24 HG2 PRO 24 -0.888 -10.367 7.924
191 HG3 PRO 24 HG3 PRO 24 -0.007 -11.418 9.044
192 HD2 PRO 24 HD2 PRO 24 -2.534 -10.318 9.488
193 HD3 PRO 24 HD3 PRO 24 -1.468 -10.990 10.736
194 H PHE 25 H PHE 25 -0.579 -5.680 9.633
195 HA PHE 25 HA PHE 25 -1.198 -5.604 6.782
196 HB2 PHE 25 HB2 PHE 25 -2.986 -4.473 8.947
197 HB3 PHE 25 HB3 PHE 25 -3.060 -3.934 7.276
198 HD1 PHE 25 HD1 PHE 25 -4.382 -5.056 5.749
199 HD2 PHE 25 HD2 PHE 25 -3.348 -6.966 9.408
200 HE1 PHE 25 HE1 PHE 25 -5.914 -6.903 5.218
201 HE2 PHE 25 HE2 PHE 25 -4.890 -8.806 8.883
202 HZ PHE 25 HZ PHE 25 -6.167 -8.772 6.786
203 H ALA 26 H ALA 26 -0.512 -3.741 5.791
204 HA ALA 26 HA ALA 26 0.917 -1.867 7.570
205 HB1 ALA 26 HB1 ALA 26 2.676 -1.654 5.981
206 HB2 ALA 26 HB2 ALA 26 1.787 -2.592 4.784
207 HB3 ALA 26 HB3 ALA 26 2.404 -3.379 6.236
208 H ALA 27 H ALA 27 0.489 0.215 7.370
209 HA ALA 27 HA ALA 27 -1.399 1.339 5.657
210 HB1 ALA 27 HB1 ALA 27 -0.401 3.498 6.356
211 HB2 ALA 27 HB2 ALA 27 0.929 2.610 7.099
212 HB3 ALA 27 HB3 ALA 27 -0.712 2.417 7.714
213 H PHE 28 H PHE 28 -1.093 0.869 3.503
214 HA PHE 28 HA PHE 28 1.519 1.443 2.325
215 HB2 PHE 28 HB2 PHE 28 -0.544 -0.501 1.829
216 HB3 PHE 28 HB3 PHE 28 -0.250 0.422 0.365
217 HD1 PHE 28 HD1 PHE 28 0.444 -2.540 1.569
218 HD2 PHE 28 HD2 PHE 28 2.588 0.948 0.430
219 HE1 PHE 28 HE1 PHE 28 2.435 -3.914 1.138
220 HE2 PHE 28 HE2 PHE 28 4.585 -0.415 0.008
221 HZ PHE 28 HZ PHE 28 4.511 -2.850 0.352
222 H GLY 29 H GLY 29 1.413 3.665 2.375
223 HA2 GLY 29 HA2 GLY 29 0.998 5.757 1.538
224 HA3 GLY 29 HA3 GLY 29 0.669 4.917 0.030
225 H THR 30 H THR 30 -1.051 5.946 -0.720
226 HA THR 30 HA THR 30 -3.501 5.806 0.900
227 HB THR 30 HB THR 30 -4.274 7.887 -0.179
228 HG1 THR 30 HG1 THR 30 -1.859 8.705 -1.153
229 HG21 THR 30 HG21 THR 30 -3.190 8.239 1.917
230 HG22 THR 30 HG22 THR 30 -2.551 9.469 0.821
231 HG23 THR 30 HG23 THR 30 -1.594 8.037 1.198
232 H CYS 31 H CYS 31 -5.490 5.566 -0.478
233 HA CYS 31 HA CYS 31 -4.849 3.904 -2.788
234 HB2 CYS 31 HB2 CYS 31 -7.257 3.301 -2.752
235 HB3 CYS 31 HB3 CYS 31 -6.437 2.964 -1.232
236 H SER 32 H SER 32 -7.467 6.228 -2.236
237 HA SER 32 HA SER 32 -7.011 7.284 -4.940
238 HB2 SER 32 HB2 SER 32 -9.236 6.129 -4.401
239 HB3 SER 32 HB3 SER 32 -9.569 7.491 -3.339
240 HG SER 32 HG SER 32 -8.778 8.432 -5.709
241 H TRP 33 H TRP 33 -8.540 8.341 -1.918
242 HA TRP 33 HA TRP 33 -7.402 10.997 -2.225
243 HB2 TRP 33 HB2 TRP 33 -9.052 10.107 0.128
244 HB3 TRP 33 HB3 TRP 33 -8.914 11.711 -0.575
245 HD1 TRP 33 HD1 TRP 33 -11.561 9.650 -0.029
246 HE1 TRP 33 HE1 TRP 33 -13.286 9.524 -1.931
247 HE3 TRP 33 HE3 TRP 33 -8.685 11.447 -3.861
248 HZ2 TRP 33 HZ2 TRP 33 -13.409 10.095 -4.682
249 HZ3 TRP 33 HZ3 TRP 33 -9.695 11.621 -6.100
250 HH2 TRP 33 HH2 TRP 33 -11.998 10.962 -6.499
251 H ARG 34 H ARG 34 -6.315 11.982 -0.341
252 HA ARG 34 HA ARG 34 -4.268 10.198 0.613
253 HB2 ARG 34 HB2 ARG 34 -3.733 12.467 -0.182
254 HB3 ARG 34 HB3 ARG 34 -4.702 13.148 1.115
255 HG2 ARG 34 HG2 ARG 34 -2.426 11.334 1.744
256 HG3 ARG 34 HG3 ARG 34 -2.131 13.019 1.352
257 HD2 ARG 34 HD2 ARG 34 -3.980 12.045 3.520
258 HD3 ARG 34 HD3 ARG 34 -2.320 12.574 3.789
259 HE ARG 34 HE ARG 34 -3.575 14.669 2.514
260 HH11 ARG 34 HH11 ARG 34 -4.059 12.847 5.464
261 HH12 ARG 34 HH12 ARG 34 -4.726 14.186 6.342
262 HH21 ARG 34 HH21 ARG 34 -4.466 16.448 3.671
263 HH22 ARG 34 HH22 ARG 34 -4.955 16.237 5.321
264 H GLN 35 H GLN 35 -7.033 11.833 1.855
265 HA GLN 35 HA GLN 35 -6.626 11.714 4.596
266 HB2 GLN 35 HB2 GLN 35 -9.100 11.767 4.754
267 HB3 GLN 35 HB3 GLN 35 -8.437 12.982 3.669
268 HG2 GLN 35 HG2 GLN 35 -8.942 11.506 1.770
269 HG3 GLN 35 HG3 GLN 35 -9.688 10.364 2.885
270 HE21 GLN 35 HE21 GLN 35 -10.799 12.534 4.532
271 HE22 GLN 35 HE22 GLN 35 -12.141 13.153 3.638
272 H LYS 36 H LYS 36 -6.974 9.096 2.502
273 HA LYS 36 HA LYS 36 -7.548 7.330 4.777
274 HB2 LYS 36 HB2 LYS 36 -8.607 5.773 3.064
275 HB3 LYS 36 HB3 LYS 36 -9.526 7.192 3.525
276 HG2 LYS 36 HG2 LYS 36 -8.372 8.246 1.424
277 HG3 LYS 36 HG3 LYS 36 -8.160 6.556 0.964
278 HD2 LYS 36 HD2 LYS 36 -10.763 7.948 1.575
279 HD3 LYS 36 HD3 LYS 36 -10.199 7.431 -0.013
280 HE2 LYS 36 HE2 LYS 36 -11.554 5.666 0.473
281 HE3 LYS 36 HE3 LYS 36 -10.070 5.088 1.226
282 HZ1 LYS 36 HZ1 LYS 36 -10.877 5.854 3.319
283 HZ2 LYS 36 HZ2 LYS 36 -11.990 4.869 2.664
284 HZ3 LYS 36 HZ3 LYS 36 -12.222 6.476 2.651
285 H THR 37 H THR 37 -6.696 5.172 4.569
286 HA THR 37 HA THR 37 -4.090 5.212 3.183
287 HB THR 37 HB THR 37 -4.774 3.870 5.806
288 HG1 THR 37 HG1 THR 37 -4.553 6.399 5.420
289 HG21 THR 37 HG21 THR 37 -2.092 4.445 4.541
290 HG22 THR 37 HG22 THR 37 -2.892 2.873 4.537
291 HG23 THR 37 HG23 THR 37 -2.381 3.598 6.061
292 H CYS 38 H CYS 38 -3.393 3.307 2.177
293 HA CYS 38 HA CYS 38 -5.505 1.332 1.702
294 HB2 CYS 38 HB2 CYS 38 -4.143 2.551 -0.134
295 HB3 CYS 38 HB3 CYS 38 -2.828 1.479 0.317
296 H CYS 39 H CYS 39 -5.475 -0.387 3.073
297 HA CYS 39 HA CYS 39 -2.870 -1.174 4.205
298 HB2 CYS 39 HB2 CYS 39 -5.627 -1.372 5.419
299 HB3 CYS 39 HB3 CYS 39 -4.149 -1.962 6.168
300 H VAL 40 H VAL 40 -2.156 -2.994 3.344
301 HA VAL 40 HA VAL 40 -4.104 -5.111 2.701
302 HB VAL 40 HB VAL 40 -2.628 -4.195 0.847
303 HG11 VAL 40 HG11 VAL 40 -0.574 -4.027 2.178
304 HG12 VAL 40 HG12 VAL 40 -0.352 -4.946 0.692
305 HG13 VAL 40 HG13 VAL 40 -0.485 -5.788 2.236
306 HG21 VAL 40 HG21 VAL 40 -3.803 -6.251 0.539
307 HG22 VAL 40 HG22 VAL 40 -2.608 -7.137 1.487
308 HG23 VAL 40 HG23 VAL 40 -2.165 -6.459 -0.083
309 H ASP 41 H ASP 41 -3.632 -7.261 3.301
310 HA ASP 41 HA ASP 41 -2.248 -7.623 5.750
311 HB2 ASP 41 HB2 ASP 41 -4.116 -9.061 5.068
312 HB3 ASP 41 HB3 ASP 41 -3.158 -9.691 3.740
313 H THR 42 H THR 42 -0.195 -7.144 5.732
314 HA THR 42 HA THR 42 1.472 -7.827 3.462
315 HB THR 42 HB THR 42 3.186 -6.477 4.805
316 HG1 THR 42 HG1 THR 42 1.855 -6.761 6.796
317 HG21 THR 42 HG21 THR 42 0.627 -5.049 4.064
318 HG22 THR 42 HG22 THR 42 1.846 -5.574 2.905
319 HG23 THR 42 HG23 THR 42 2.248 -4.359 4.116
320 H THR 43 H THR 43 1.585 -10.135 3.793
321 HA THR 43 HA THR 43 3.216 -10.901 6.080
322 HB THR 43 HB THR 43 1.289 -12.437 4.349
323 HG1 THR 43 HG1 THR 43 0.172 -11.508 5.979
324 HG21 THR 43 HG21 THR 43 3.116 -13.509 6.475
325 HG22 THR 43 HG22 THR 43 3.267 -13.777 4.741
326 HG23 THR 43 HG23 THR 43 1.873 -14.416 5.612
327 H SER 44 H SER 44 2.728 -12.299 2.823
328 HA SER 44 HA SER 44 5.623 -12.671 2.597
329 HB2 SER 44 HB2 SER 44 3.426 -13.831 0.911
330 HB3 SER 44 HB3 SER 44 5.118 -14.319 0.906
331 HG SER 44 HG SER 44 4.651 -14.685 3.297
332 H ASP 45 H ASP 45 2.918 -11.592 0.534
333 HA ASP 45 HA ASP 45 4.728 -10.759 -1.541
334 HB2 ASP 45 HB2 ASP 45 2.809 -10.372 -2.895
335 HB3 ASP 45 HB3 ASP 45 2.522 -11.859 -2.006
336 H PHE 46 H PHE 46 3.739 -9.375 1.203
337 HA PHE 46 HA PHE 46 2.889 -6.850 0.898
338 HB2 PHE 46 HB2 PHE 46 3.908 -6.322 2.977
339 HB3 PHE 46 HB3 PHE 46 3.376 -7.994 2.986
340 HD1 PHE 46 HD1 PHE 46 5.068 -9.730 2.299
341 HD2 PHE 46 HD2 PHE 46 6.075 -5.885 3.690
342 HE1 PHE 46 HE1 PHE 46 7.281 -10.577 2.928
343 HE2 PHE 46 HE2 PHE 46 8.319 -6.677 4.331
344 HZ PHE 46 HZ PHE 46 8.932 -9.036 3.949
345 H HIS 47 H HIS 47 5.906 -7.932 -0.212
346 HA HIS 47 HA HIS 47 7.467 -5.624 -0.275
347 HB2 HIS 47 HB2 HIS 47 7.295 -7.873 -2.273
348 HB3 HIS 47 HB3 HIS 47 8.541 -6.632 -2.305
349 HD1 HIS 47 HD1 HIS 47 10.366 -6.737 -0.473
350 HD2 HIS 47 HD2 HIS 47 7.591 -9.826 -0.299
351 HE1 HIS 47 HE1 HIS 47 11.316 -8.409 1.141
352 HE2 HIS 47 HE2 HIS 47 9.693 -10.335 1.120
353 H THR 48 H THR 48 4.485 -5.912 -1.558
354 HA THR 48 HA THR 48 4.294 -4.910 -4.063
355 HB THR 48 HB THR 48 2.574 -4.157 -1.723
356 HG1 THR 48 HG1 THR 48 1.799 -6.140 -1.790
357 HG21 THR 48 HG21 THR 48 1.995 -2.877 -3.671
358 HG22 THR 48 HG22 THR 48 0.763 -4.122 -3.414
359 HG23 THR 48 HG23 THR 48 1.986 -4.335 -4.669
360 H CYS 49 H CYS 49 5.810 -3.169 -1.594
361 HA CYS 49 HA CYS 49 4.950 -0.573 -1.815
362 HB2 CYS 49 HB2 CYS 49 7.106 0.124 -1.046
363 HB3 CYS 49 HB3 CYS 49 6.772 -1.431 -0.299
364 H GLN 50 H GLN 50 7.081 -2.313 -3.991
365 HA GLN 50 HA GLN 50 7.939 -0.222 -5.599
366 HB2 GLN 50 HB2 GLN 50 8.365 -1.996 -7.269
367 HB3 GLN 50 HB3 GLN 50 8.947 -2.406 -5.663
368 HG2 GLN 50 HG2 GLN 50 6.545 -3.523 -5.505
369 HG3 GLN 50 HG3 GLN 50 6.760 -3.595 -7.249
370 HE21 GLN 50 HE21 GLN 50 7.795 -4.766 -4.177
371 HE22 GLN 50 HE22 GLN 50 8.827 -6.022 -4.795
372 H ASP 51 H ASP 51 4.914 -2.034 -5.687
373 HA ASP 51 HA ASP 51 4.067 -0.865 -8.190
374 HB2 ASP 51 HB2 ASP 51 3.335 -3.134 -7.417
375 HB3 ASP 51 HB3 ASP 51 2.393 -2.348 -6.154
376 H LYS 52 H LYS 52 3.703 -0.244 -4.796
377 HA LYS 52 HA LYS 52 1.592 1.640 -4.954
378 HB2 LYS 52 HB2 LYS 52 3.526 0.708 -2.938
379 HB3 LYS 52 HB3 LYS 52 2.892 2.326 -2.695
380 HG2 LYS 52 HG2 LYS 52 1.262 -0.173 -3.024
381 HG3 LYS 52 HG3 LYS 52 1.612 0.641 -1.507
382 HD2 LYS 52 HD2 LYS 52 0.031 1.758 -3.825
383 HD3 LYS 52 HD3 LYS 52 -0.607 1.272 -2.258
384 HE2 LYS 52 HE2 LYS 52 0.445 3.081 -1.157
385 HE3 LYS 52 HE3 LYS 52 1.469 3.432 -2.543
386 HZ1 LYS 52 HZ1 LYS 52 -0.266 5.001 -2.465
387 HZ2 LYS 52 HZ2 LYS 52 -1.421 3.867 -2.363
388 HZ3 LYS 52 HZ3 LYS 52 -0.568 4.034 -3.737
389 H GLY 53 H GLY 53 4.759 1.776 -5.960
390 HA2 GLY 53 HA2 GLY 53 5.576 3.742 -7.078
391 HA3 GLY 53 HA3 GLY 53 4.763 4.718 -5.858
392 H GLY 54 H GLY 54 6.739 1.839 -5.425
393 HA2 GLY 54 HA2 GLY 54 8.336 3.216 -3.445
394 HA3 GLY 54 HA3 GLY 54 8.428 1.514 -3.860
395 H HIS 55 H HIS 55 9.902 4.435 -4.072
396 HA HIS 55 HA HIS 55 11.255 3.922 -6.611
397 HB2 HIS 55 HB2 HIS 55 11.357 6.292 -4.737
398 HB3 HIS 55 HB3 HIS 55 12.274 6.172 -6.231
399 HD1 HIS 55 HD1 HIS 55 11.185 7.185 -8.213
400 HD2 HIS 55 HD2 HIS 55 8.419 6.158 -5.280
401 HE1 HIS 55 HE1 HIS 55 8.974 8.073 -9.022
402 HE2 HIS 55 HE2 HIS 55 7.320 7.461 -7.222
403 H CYS 56 H CYS 56 13.544 3.861 -6.744
404 HA CYS 56 HA CYS 56 14.720 2.705 -4.329
405 HB2 CYS 56 HB2 CYS 56 15.421 2.405 -7.248
406 HB3 CYS 56 HB3 CYS 56 16.407 1.755 -5.940
407 H VAL 57 H VAL 57 16.067 3.904 -3.219
408 HA VAL 57 HA VAL 57 17.586 5.976 -4.655
409 HB VAL 57 HB VAL 57 17.383 7.455 -2.740
410 HG11 VAL 57 HG11 VAL 57 15.701 7.594 -4.490
411 HG12 VAL 57 HG12 VAL 57 15.018 8.007 -2.915
412 HG13 VAL 57 HG13 VAL 57 14.700 6.424 -3.629
413 HG21 VAL 57 HG21 VAL 57 15.671 5.296 -1.516
414 HG22 VAL 57 HG22 VAL 57 15.857 6.927 -0.874
415 HG23 VAL 57 HG23 VAL 57 17.248 5.844 -0.941
416 H SER 58 H SER 58 19.661 6.232 -4.136
417 HA SER 58 HA SER 58 20.994 4.092 -2.813
418 HB2 SER 58 HB2 SER 58 23.018 5.241 -3.487
419 HB3 SER 58 HB3 SER 58 21.864 5.368 -4.803
420 HG SER 58 HG SER 58 21.719 7.457 -4.514
421 HA PRO 59 HA PRO 59 21.360 5.639 1.319
422 HB2 PRO 59 HB2 PRO 59 24.078 5.431 1.795
423 HB3 PRO 59 HB3 PRO 59 22.913 4.116 1.952
424 HG2 PRO 59 HG2 PRO 59 24.797 4.723 -0.271
425 HG3 PRO 59 HG3 PRO 59 24.271 3.156 0.363
426 HD2 PRO 59 HD2 PRO 59 23.325 4.191 -1.945
427 HD3 PRO 59 HD3 PRO 59 22.346 3.152 -0.896
428 H LYS 60 H LYS 60 23.061 7.130 -1.242
429 HA LYS 60 HA LYS 60 23.935 9.406 0.331
430 HB2 LYS 60 HB2 LYS 60 24.087 8.800 -2.623
431 HB3 LYS 60 HB3 LYS 60 24.639 10.311 -1.921
432 HG2 LYS 60 HG2 LYS 60 26.556 8.986 -2.195
433 HG3 LYS 60 HG3 LYS 60 26.178 8.930 -0.474
434 HD2 LYS 60 HD2 LYS 60 25.105 6.750 -0.787
435 HD3 LYS 60 HD3 LYS 60 25.496 6.808 -2.507
436 HE2 LYS 60 HE2 LYS 60 27.105 5.432 -1.320
437 HE3 LYS 60 HE3 LYS 60 27.883 6.882 -1.949
438 HZ1 LYS 60 HZ1 LYS 60 28.538 6.415 0.308
439 HZ2 LYS 60 HZ2 LYS 60 27.001 6.512 0.825
440 HZ3 LYS 60 HZ3 LYS 60 27.745 7.832 0.236
441 H ILE 61 H ILE 61 21.122 8.399 -1.243
442 HA ILE 61 HA ILE 61 20.138 11.047 -1.882
443 HB ILE 61 HB ILE 61 18.643 8.425 -1.691
444 HG12 ILE 61 HG12 ILE 61 20.564 8.649 -3.387
445 HG13 ILE 61 HG13 ILE 61 19.011 8.064 -3.966
446 HG21 ILE 61 HG21 ILE 61 16.944 9.546 -3.069
447 HG22 ILE 61 HG22 ILE 61 17.870 11.043 -2.972
448 HG23 ILE 61 HG23 ILE 61 17.171 10.343 -1.512
449 HD11 ILE 61 HD11 ILE 61 20.012 9.630 -5.517
450 HD12 ILE 61 HD12 ILE 61 20.069 10.864 -4.256
451 HD13 ILE 61 HD13 ILE 61 18.516 10.277 -4.848
452 H ARG 62 H ARG 62 18.861 12.279 -0.586
453 HA ARG 62 HA ARG 62 18.248 11.170 2.053
454 HB2 ARG 62 HB2 ARG 62 18.483 13.999 1.063
455 HB3 ARG 62 HB3 ARG 62 17.615 13.640 2.547
456 HG2 ARG 62 HG2 ARG 62 19.794 14.245 3.194
457 HG3 ARG 62 HG3 ARG 62 19.715 12.489 3.353
458 HD2 ARG 62 HD2 ARG 62 20.857 12.232 1.218
459 HD3 ARG 62 HD3 ARG 62 20.896 13.983 1.018
460 HE ARG 62 HE ARG 62 22.139 13.106 3.450
461 HH11 ARG 62 HH11 ARG 62 22.620 13.570 0.018
462 HH12 ARG 62 HH12 ARG 62 24.335 13.789 0.158
463 HH21 ARG 62 HH21 ARG 62 24.407 13.385 3.639
464 HH22 ARG 62 HH22 ARG 62 25.354 13.665 2.213
465 H CYS 63 H CYS 63 16.540 9.941 1.550
466 HA CYS 63 HA CYS 63 14.055 11.354 0.881
467 HB2 CYS 63 HB2 CYS 63 14.880 10.120 -1.110
468 HB3 CYS 63 HB3 CYS 63 14.890 8.640 -0.164
469 H LEU 64 H LEU 64 12.146 10.368 1.800
470 HA LEU 64 HA LEU 64 12.664 8.975 4.263
471 HB2 LEU 64 HB2 LEU 64 10.710 10.639 3.516
472 HB3 LEU 64 HB3 LEU 64 9.936 9.106 3.174
473 HG LEU 64 HG LEU 64 11.121 9.809 5.852
474 HD11 LEU 64 HD11 LEU 64 9.294 11.308 5.328
475 HD12 LEU 64 HD12 LEU 64 8.835 10.168 6.591
476 HD13 LEU 64 HD13 LEU 64 8.261 9.934 4.941
477 HD21 LEU 64 HD21 LEU 64 10.964 7.417 5.397
478 HD22 LEU 64 HD22 LEU 64 9.257 7.603 4.997
479 HD23 LEU 64 HD23 LEU 64 9.816 7.909 6.642
480 H GLU 65 H GLU 65 13.642 7.186 3.555
481 HA GLU 65 HA GLU 65 12.363 5.410 1.679
482 HB2 GLU 65 HB2 GLU 65 14.541 4.011 2.424
483 HB3 GLU 65 HB3 GLU 65 14.537 5.211 1.145
484 HG2 GLU 65 HG2 GLU 65 16.452 5.505 2.574
485 HG3 GLU 65 HG3 GLU 65 15.374 6.888 2.714
486 H GLU 66 H GLU 66 12.524 3.028 2.185
487 HA GLU 66 HA GLU 66 12.035 1.192 3.410
488 HB2 GLU 66 HB2 GLU 66 11.959 3.065 5.762
489 HB3 GLU 66 HB3 GLU 66 11.637 1.337 5.875
490 HG2 GLU 66 HG2 GLU 66 13.849 0.858 5.006
491 HG3 GLU 66 HG3 GLU 66 14.158 2.589 4.853
492 H GLN 67 H GLN 67 10.336 2.053 1.833
493 HA GLN 67 HA GLN 67 7.731 2.483 2.910
494 HB2 GLN 67 HB2 GLN 67 8.364 2.992 0.555
495 HB3 GLN 67 HB3 GLN 67 8.495 1.265 0.252
496 HG2 GLN 67 HG2 GLN 67 6.146 0.963 0.670
497 HG3 GLN 67 HG3 GLN 67 5.977 2.651 1.149
498 HE21 GLN 67 HE21 GLN 67 4.625 1.181 -1.001
499 HE22 GLN 67 HE22 GLN 67 5.006 2.043 -2.454
500 H LEU 68 H LEU 68 9.035 -0.380 1.236
501 HA LEU 68 HA LEU 68 8.691 -2.145 3.368
502 HB2 LEU 68 HB2 LEU 68 6.253 -1.563 2.670
503 HB3 LEU 68 HB3 LEU 68 6.575 -2.638 1.312
504 HG LEU 68 HG LEU 68 6.924 -4.502 2.756
505 HD11 LEU 68 HD11 LEU 68 6.739 -2.515 5.022
506 HD12 LEU 68 HD12 LEU 68 8.130 -3.508 4.580
507 HD13 LEU 68 HD13 LEU 68 6.679 -4.264 5.232
508 HD21 LEU 68 HD21 LEU 68 4.746 -4.533 4.002
509 HD22 LEU 68 HD22 LEU 68 4.638 -4.116 2.293
510 HD23 LEU 68 HD23 LEU 68 4.533 -2.851 3.519
511 H GLY 69 H GLY 69 10.767 -2.603 2.441
512 HA2 GLY 69 HA2 GLY 69 11.302 -4.894 1.395
513 HA3 GLY 69 HA3 GLY 69 10.635 -4.160 -0.051
514 H LEU 70 H LEU 70 13.180 -5.237 0.119
515 HA LEU 70 HA LEU 70 15.006 -2.955 0.177
516 HB2 LEU 70 HB2 LEU 70 15.316 -5.499 1.049
517 HB3 LEU 70 HB3 LEU 70 15.942 -5.668 -0.576
518 HG LEU 70 HG LEU 70 16.985 -3.582 1.337
519 HD11 LEU 70 HD11 LEU 70 18.815 -5.125 1.830
520 HD12 LEU 70 HD12 LEU 70 18.014 -6.382 0.885
521 HD13 LEU 70 HD13 LEU 70 17.265 -5.776 2.363
522 HD21 LEU 70 HD21 LEU 70 18.170 -4.862 -1.124
523 HD22 LEU 70 HD22 LEU 70 18.940 -3.634 -0.119
524 HD23 LEU 70 HD23 LEU 70 17.487 -3.240 -1.035
525 H CYS 71 H CYS 71 16.060 -2.233 -1.657
526 HA CYS 71 HA CYS 71 14.685 -2.767 -4.145
527 HB2 CYS 71 HB2 CYS 71 16.536 -0.669 -3.131
528 HB3 CYS 71 HB3 CYS 71 16.463 -0.930 -4.871
529 HA PRO 72 HA PRO 72 17.404 -5.297 -6.578
530 HB2 PRO 72 HB2 PRO 72 18.123 -2.724 -7.944
531 HB3 PRO 72 HB3 PRO 72 17.805 -4.318 -8.651
532 HG2 PRO 72 HG2 PRO 72 15.923 -2.421 -8.633
533 HG3 PRO 72 HG3 PRO 72 15.515 -4.130 -8.386
534 HD2 PRO 72 HD2 PRO 72 15.493 -1.900 -6.459
535 HD3 PRO 72 HD3 PRO 72 14.644 -3.455 -6.395
536 H LEU 73 H LEU 73 19.022 -2.093 -6.195
537 HA LEU 73 HA LEU 73 21.541 -3.317 -5.643
538 HB2 LEU 73 HB2 LEU 73 20.544 -0.521 -5.171
539 HB3 LEU 73 HB3 LEU 73 22.135 -1.040 -4.673
540 HG LEU 73 HG LEU 73 22.640 -0.047 -6.616
541 HD11 LEU 73 HD11 LEU 73 23.395 -2.342 -6.796
542 HD12 LEU 73 HD12 LEU 73 23.037 -1.641 -8.374
543 HD13 LEU 73 HD13 LEU 73 21.901 -2.768 -7.632
544 HD21 LEU 73 HD21 LEU 73 19.991 -0.926 -7.707
545 HD22 LEU 73 HD22 LEU 73 21.216 -0.078 -8.650
546 HD23 LEU 73 HD23 LEU 73 20.487 0.705 -7.247
547 H LYS 74 H LYS 74 22.447 -3.851 -3.777
548 HA LYS 74 HA LYS 74 20.638 -4.560 -1.682
549 HB2 LYS 74 HB2 LYS 74 22.580 -5.951 -2.418
550 HB3 LYS 74 HB3 LYS 74 23.653 -4.757 -1.707
551 HG2 LYS 74 HG2 LYS 74 23.387 -6.651 -0.228
552 HG3 LYS 74 HG3 LYS 74 22.694 -5.201 0.498
553 HD2 LYS 74 HD2 LYS 74 21.252 -7.150 0.841
554 HD3 LYS 74 HD3 LYS 74 20.458 -5.929 -0.153
555 HE2 LYS 74 HE2 LYS 74 20.085 -8.191 -1.016
556 HE3 LYS 74 HE3 LYS 74 20.979 -7.196 -2.162
557 HZ1 LYS 74 HZ1 LYS 74 22.162 -9.194 -0.368
558 HZ2 LYS 74 HZ2 LYS 74 22.986 -8.284 -1.430
559 HZ3 LYS 74 HZ3 LYS 74 21.922 -9.386 -1.967
560 H ARG 75 H ARG 75 22.667 -1.896 -2.281
561 HA ARG 75 HA ARG 75 22.817 -1.083 0.508
562 HB2 ARG 75 HB2 ARG 75 23.880 0.172 -2.020
563 HB3 ARG 75 HB3 ARG 75 24.147 0.804 -0.400
564 HG2 ARG 75 HG2 ARG 75 25.429 -1.085 0.223
565 HG3 ARG 75 HG3 ARG 75 24.955 -1.968 -1.230
566 HD2 ARG 75 HD2 ARG 75 26.559 0.576 -1.212
567 HD3 ARG 75 HD3 ARG 75 27.252 -1.040 -1.324
568 HE ARG 75 HE ARG 75 25.350 -0.788 -3.353
569 HH11 ARG 75 HH11 ARG 75 28.432 0.604 -2.457
570 HH12 ARG 75 HH12 ARG 75 28.915 0.920 -4.092
571 HH21 ARG 75 HH21 ARG 75 25.990 -0.386 -5.518
572 HH22 ARG 75 HH22 ARG 75 27.526 0.357 -5.831
573 H TRP 76 H TRP 76 20.542 -0.903 -1.858
574 HA TRP 76 HA TRP 76 19.730 1.853 -1.219
575 HB2 TRP 76 HB2 TRP 76 18.905 0.056 -3.502
576 HB3 TRP 76 HB3 TRP 76 18.280 1.676 -3.223
577 HD1 TRP 76 HD1 TRP 76 22.011 0.715 -2.991
578 HE1 TRP 76 HE1 TRP 76 23.281 2.004 -4.802
579 HE3 TRP 76 HE3 TRP 76 18.060 2.979 -5.275
580 HZ2 TRP 76 HZ2 TRP 76 22.680 3.733 -6.929
581 HZ3 TRP 76 HZ3 TRP 76 18.484 4.472 -7.166
582 HH2 TRP 76 HH2 TRP 76 20.757 4.854 -7.970
583 H THR 77 H THR 77 17.514 2.305 -0.840
584 HA THR 77 HA THR 77 16.028 0.011 0.258
585 HB THR 77 HB THR 77 15.985 2.844 1.308
586 HG1 THR 77 HG1 THR 77 17.089 1.607 3.140
587 HG21 THR 77 HG21 THR 77 13.934 1.625 1.753
588 HG22 THR 77 HG22 THR 77 14.862 1.801 3.241
589 HG23 THR 77 HG23 THR 77 14.856 0.260 2.386
590 H CYS 78 H CYS 78 13.839 -0.096 -0.142
591 HA CYS 78 HA CYS 78 12.778 1.391 -2.336
592 HB2 CYS 78 HB2 CYS 78 12.099 -0.929 -1.898
593 HB3 CYS 78 HB3 CYS 78 11.421 -0.451 -0.348
594 H CYS 79 H CYS 79 12.076 3.409 -2.199
595 HA CYS 79 HA CYS 79 11.314 4.445 0.440
596 HB2 CYS 79 HB2 CYS 79 13.147 5.654 -0.319
597 HB3 CYS 79 HB3 CYS 79 12.575 5.697 -1.983
598 H LYS 80 H LYS 80 9.437 5.466 0.791
599 HA LYS 80 HA LYS 80 7.330 4.973 -1.117
600 HB2 LYS 80 HB2 LYS 80 7.193 4.750 1.446
601 HB3 LYS 80 HB3 LYS 80 7.035 6.502 1.456
602 HG2 LYS 80 HG2 LYS 80 5.093 6.177 -0.147
603 HG3 LYS 80 HG3 LYS 80 5.181 4.467 0.274
604 HD2 LYS 80 HD2 LYS 80 4.727 6.746 2.201
605 HD3 LYS 80 HD3 LYS 80 3.496 5.636 1.606
606 HE2 LYS 80 HE2 LYS 80 4.019 4.766 3.690
607 HE3 LYS 80 HE3 LYS 80 5.000 3.791 2.602
608 HZ1 LYS 80 HZ1 LYS 80 5.974 6.091 4.140
609 HZ2 LYS 80 HZ2 LYS 80 6.879 5.160 3.171
610 HZ3 LYS 80 HZ3 LYS 80 6.237 4.534 4.524
611 H GLU 81 H GLU 81 7.645 6.319 -2.831
612 HA GLU 81 HA GLU 81 7.403 8.178 -4.102
613 HB2 GLU 81 HB2 GLU 81 5.708 9.093 -1.777
614 HB3 GLU 81 HB3 GLU 81 5.679 9.769 -3.401
615 HG2 GLU 81 HG2 GLU 81 4.886 7.671 -4.297
616 HG3 GLU 81 HG3 GLU 81 5.006 6.924 -2.707
617 H ILE 82 H ILE 82 9.431 8.974 -4.188
618 HA ILE 82 HA ILE 82 10.842 10.347 -2.219
619 HB ILE 82 HB ILE 82 11.075 10.758 -5.207
620 HG12 ILE 82 HG12 ILE 82 12.548 8.827 -3.399
621 HG13 ILE 82 HG13 ILE 82 11.282 8.384 -4.540
622 HG21 ILE 82 HG21 ILE 82 12.190 12.493 -3.908
623 HG22 ILE 82 HG22 ILE 82 13.368 11.451 -4.706
624 HG23 ILE 82 HG23 ILE 82 13.050 11.262 -2.982
625 HD11 ILE 82 HD11 ILE 82 13.515 7.900 -5.402
626 HD12 ILE 82 HD12 ILE 82 13.935 9.609 -5.265
627 HD13 ILE 82 HD13 ILE 82 12.679 9.098 -6.392
Start of MODEL 5
1 H1 LEU 1 H1 LEU 1 -18.200 3.210 -4.584
2 H2 LEU 1 H2 LEU 1 -18.887 4.406 -3.729
3 H3 LEU 1 H3 LEU 1 -18.768 2.919 -3.086
4 HA LEU 1 HA LEU 1 -17.147 4.397 -2.133
5 HB2 LEU 1 HB2 LEU 1 -16.182 2.125 -3.846
6 HB3 LEU 1 HB3 LEU 1 -15.109 2.992 -2.775
7 HG LEU 1 HG LEU 1 -17.573 1.525 -1.900
8 HD11 LEU 1 HD11 LEU 1 -16.043 -0.180 -1.047
9 HD12 LEU 1 HD12 LEU 1 -14.687 0.685 -1.770
10 HD13 LEU 1 HD13 LEU 1 -15.930 -0.025 -2.800
11 HD21 LEU 1 HD21 LEU 1 -15.297 2.747 -0.353
12 HD22 LEU 1 HD22 LEU 1 -16.574 1.749 0.342
13 HD23 LEU 1 HD23 LEU 1 -16.969 3.307 -0.381
14 HA PRO 2 HA PRO 2 -14.914 7.373 -4.573
15 HB2 PRO 2 HB2 PRO 2 -12.406 6.265 -3.413
16 HB3 PRO 2 HB3 PRO 2 -12.992 7.932 -3.445
17 HG2 PRO 2 HG2 PRO 2 -13.118 6.543 -1.200
18 HG3 PRO 2 HG3 PRO 2 -14.491 7.572 -1.683
19 HD2 PRO 2 HD2 PRO 2 -14.165 4.597 -1.926
20 HD3 PRO 2 HD3 PRO 2 -15.586 5.521 -1.405
21 H ARG 3 H ARG 3 -13.126 7.599 -6.147
22 HA ARG 3 HA ARG 3 -13.522 6.040 -8.324
23 HB2 ARG 3 HB2 ARG 3 -12.452 8.194 -8.445
24 HB3 ARG 3 HB3 ARG 3 -11.057 7.598 -7.562
25 HG2 ARG 3 HG2 ARG 3 -10.564 6.075 -9.442
26 HG3 ARG 3 HG3 ARG 3 -11.907 6.795 -10.333
27 HD2 ARG 3 HD2 ARG 3 -10.835 8.961 -10.262
28 HD3 ARG 3 HD3 ARG 3 -9.531 8.313 -9.270
29 HE ARG 3 HE ARG 3 -9.755 6.881 -11.706
30 HH11 ARG 3 HH11 ARG 3 -8.635 9.921 -10.393
31 HH12 ARG 3 HH12 ARG 3 -7.419 10.149 -11.609
32 HH21 ARG 3 HH21 ARG 3 -8.158 7.164 -13.305
33 HH22 ARG 3 HH22 ARG 3 -7.147 8.573 -13.267
34 H ASP 4 H ASP 4 -10.824 5.611 -6.037
35 HA ASP 4 HA ASP 4 -10.062 3.200 -7.558
36 HB2 ASP 4 HB2 ASP 4 -8.313 5.092 -5.997
37 HB3 ASP 4 HB3 ASP 4 -7.760 3.591 -6.725
38 H THR 5 H THR 5 -11.744 3.728 -4.917
39 HA THR 5 HA THR 5 -10.172 2.407 -2.927
40 HB THR 5 HB THR 5 -13.146 2.924 -2.976
41 HG1 THR 5 HG1 THR 5 -12.081 4.411 -1.186
42 HG21 THR 5 HG21 THR 5 -12.604 1.067 -1.494
43 HG22 THR 5 HG22 THR 5 -13.028 2.496 -0.550
44 HG23 THR 5 HG23 THR 5 -11.336 2.027 -0.731
45 H SER 6 H SER 6 -13.087 1.377 -4.723
46 HA SER 6 HA SER 6 -13.113 -1.265 -3.803
47 HB2 SER 6 HB2 SER 6 -14.969 -0.106 -4.990
48 HB3 SER 6 HB3 SER 6 -14.059 -0.252 -6.489
49 HG SER 6 HG SER 6 -14.062 -2.618 -5.920
50 H ARG 7 H ARG 7 -11.435 0.310 -6.391
51 HA ARG 7 HA ARG 7 -10.236 -1.886 -7.654
52 HB2 ARG 7 HB2 ARG 7 -10.145 0.211 -8.741
53 HB3 ARG 7 HB3 ARG 7 -9.514 1.015 -7.314
54 HG2 ARG 7 HG2 ARG 7 -7.504 -0.683 -7.764
55 HG3 ARG 7 HG3 ARG 7 -8.109 -0.507 -9.414
56 HD2 ARG 7 HD2 ARG 7 -7.948 1.932 -9.200
57 HD3 ARG 7 HD3 ARG 7 -7.333 1.739 -7.554
58 HE ARG 7 HE ARG 7 -5.588 0.300 -9.003
59 HH11 ARG 7 HH11 ARG 7 -6.824 3.557 -9.449
60 HH12 ARG 7 HH12 ARG 7 -5.339 4.149 -10.130
61 HH21 ARG 7 HH21 ARG 7 -3.640 1.095 -9.894
62 HH22 ARG 7 HH22 ARG 7 -3.534 2.757 -10.377
63 H CYS 8 H CYS 8 -9.001 0.247 -5.078
64 HA CYS 8 HA CYS 8 -6.467 -0.986 -5.005
65 HB2 CYS 8 HB2 CYS 8 -7.304 1.374 -4.119
66 HB3 CYS 8 HB3 CYS 8 -7.502 0.457 -2.626
67 H VAL 9 H VAL 9 -9.409 -1.516 -3.118
68 HA VAL 9 HA VAL 9 -8.380 -2.841 -0.922
69 HB VAL 9 HB VAL 9 -10.962 -3.528 -2.335
70 HG11 VAL 9 HG11 VAL 9 -11.707 -4.328 -0.143
71 HG12 VAL 9 HG12 VAL 9 -10.111 -3.986 0.523
72 HG13 VAL 9 HG13 VAL 9 -10.301 -5.227 -0.714
73 HG21 VAL 9 HG21 VAL 9 -12.001 -1.967 -0.747
74 HG22 VAL 9 HG22 VAL 9 -10.849 -1.164 -1.814
75 HG23 VAL 9 HG23 VAL 9 -10.401 -1.530 -0.149
76 H GLY 10 H GLY 10 -9.145 -4.174 -4.105
77 HA2 GLY 10 HA2 GLY 10 -8.452 -6.854 -3.301
78 HA3 GLY 10 HA3 GLY 10 -8.826 -6.318 -4.931
79 H TYR 11 H TYR 11 -6.698 -4.130 -4.457
80 HA TYR 11 HA TYR 11 -4.568 -5.791 -5.560
81 HB2 TYR 11 HB2 TYR 11 -5.112 -2.835 -5.646
82 HB3 TYR 11 HB3 TYR 11 -3.581 -3.526 -6.168
83 HD1 TYR 11 HD1 TYR 11 -6.413 -2.238 -7.439
84 HD2 TYR 11 HD2 TYR 11 -4.171 -5.836 -7.660
85 HE1 TYR 11 HE1 TYR 11 -7.395 -2.700 -9.643
86 HE2 TYR 11 HE2 TYR 11 -5.141 -6.320 -9.858
87 HH TYR 11 HH TYR 11 -6.971 -3.976 -11.613
88 H HIS 12 H HIS 12 -4.752 -2.980 -3.343
89 HA HIS 12 HA HIS 12 -2.235 -3.963 -2.155
90 HB2 HIS 12 HB2 HIS 12 -2.899 -1.038 -2.180
91 HB3 HIS 12 HB3 HIS 12 -1.326 -1.820 -2.090
92 HD1 HIS 12 HD1 HIS 12 -3.311 0.068 -4.326
93 HD2 HIS 12 HD2 HIS 12 -0.783 -3.205 -4.754
94 HE1 HIS 12 HE1 HIS 12 -2.715 -0.013 -6.766
95 HE2 HIS 12 HE2 HIS 12 -1.005 -1.848 -6.948
96 H GLY 13 H GLY 13 -5.208 -4.128 -1.427
97 HA2 GLY 13 HA2 GLY 13 -5.806 -4.770 0.791
98 HA3 GLY 13 HA3 GLY 13 -4.679 -3.570 1.404
99 H TYR 14 H TYR 14 -6.858 -3.379 2.673
100 HA TYR 14 HA TYR 14 -8.999 -2.057 1.290
101 HB2 TYR 14 HB2 TYR 14 -10.029 -1.915 3.571
102 HB3 TYR 14 HB3 TYR 14 -9.615 -3.546 3.062
103 HD1 TYR 14 HD1 TYR 14 -8.451 -0.719 5.156
104 HD2 TYR 14 HD2 TYR 14 -8.215 -4.888 4.378
105 HE1 TYR 14 HE1 TYR 14 -7.174 -1.020 7.235
106 HE2 TYR 14 HE2 TYR 14 -6.938 -5.209 6.452
107 HH TYR 14 HH TYR 14 -5.534 -3.926 7.962
108 H CYS 15 H CYS 15 -9.957 -0.044 2.547
109 HA CYS 15 HA CYS 15 -7.749 1.900 2.469
110 HB2 CYS 15 HB2 CYS 15 -10.561 2.302 1.446
111 HB3 CYS 15 HB3 CYS 15 -9.194 3.394 1.248
112 H ILE 16 H ILE 16 -7.566 2.109 4.694
113 HA ILE 16 HA ILE 16 -9.891 3.121 6.149
114 HB ILE 16 HB ILE 16 -8.487 3.056 8.161
115 HG12 ILE 16 HG12 ILE 16 -6.380 1.967 6.292
116 HG13 ILE 16 HG13 ILE 16 -6.299 3.463 7.205
117 HG21 ILE 16 HG21 ILE 16 -8.296 0.601 8.301
118 HG22 ILE 16 HG22 ILE 16 -8.585 0.517 6.563
119 HG23 ILE 16 HG23 ILE 16 -9.833 1.149 7.633
120 HD11 ILE 16 HD11 ILE 16 -6.374 0.700 8.394
121 HD12 ILE 16 HD12 ILE 16 -6.240 2.216 9.286
122 HD13 ILE 16 HD13 ILE 16 -4.939 1.708 8.209
123 H ARG 17 H ARG 17 -8.940 4.971 7.855
124 HA ARG 17 HA ARG 17 -8.511 7.140 5.979
125 HB2 ARG 17 HB2 ARG 17 -10.233 7.322 7.728
126 HB3 ARG 17 HB3 ARG 17 -8.983 7.228 8.961
127 HG2 ARG 17 HG2 ARG 17 -7.988 9.301 8.047
128 HG3 ARG 17 HG3 ARG 17 -9.340 9.408 6.916
129 HD2 ARG 17 HD2 ARG 17 -9.508 9.457 9.926
130 HD3 ARG 17 HD3 ARG 17 -9.724 10.830 8.844
131 HE ARG 17 HE ARG 17 -11.525 8.580 8.460
132 HH11 ARG 17 HH11 ARG 17 -11.008 11.749 9.866
133 HH12 ARG 17 HH12 ARG 17 -12.704 12.076 10.059
134 HH21 ARG 17 HH21 ARG 17 -13.746 9.004 8.713
135 HH22 ARG 17 HH22 ARG 17 -14.261 10.512 9.400
136 H SER 18 H SER 18 -6.717 5.489 8.493
137 HA SER 18 HA SER 18 -4.571 7.477 8.191
138 HB2 SER 18 HB2 SER 18 -5.569 6.198 10.738
139 HB3 SER 18 HB3 SER 18 -4.154 7.242 10.626
140 HG SER 18 HG SER 18 -6.073 8.577 9.478
141 H LYS 19 H LYS 19 -2.519 6.547 9.384
142 HA LYS 19 HA LYS 19 -1.854 4.146 7.901
143 HB2 LYS 19 HB2 LYS 19 -0.034 5.670 9.750
144 HB3 LYS 19 HB3 LYS 19 0.403 4.690 8.358
145 HG2 LYS 19 HG2 LYS 19 -1.128 7.272 8.203
146 HG3 LYS 19 HG3 LYS 19 0.612 7.123 7.993
147 HD2 LYS 19 HD2 LYS 19 0.348 5.812 6.026
148 HD3 LYS 19 HD3 LYS 19 -1.379 5.605 6.326
149 HE2 LYS 19 HE2 LYS 19 -1.001 7.240 4.567
150 HE3 LYS 19 HE3 LYS 19 -1.728 7.997 5.983
151 HZ1 LYS 19 HZ1 LYS 19 0.468 8.776 6.586
152 HZ2 LYS 19 HZ2 LYS 19 0.043 9.329 5.121
153 HZ3 LYS 19 HZ3 LYS 19 1.110 8.110 5.247
154 H VAL 20 H VAL 20 -3.601 4.171 10.277
155 HA VAL 20 HA VAL 20 -2.216 2.892 12.443
156 HB VAL 20 HB VAL 20 -5.204 2.883 12.069
157 HG11 VAL 20 HG11 VAL 20 -3.480 3.062 14.537
158 HG12 VAL 20 HG12 VAL 20 -4.280 1.606 13.949
159 HG13 VAL 20 HG13 VAL 20 -5.240 2.980 14.499
160 HG21 VAL 20 HG21 VAL 20 -5.335 5.070 13.079
161 HG22 VAL 20 HG22 VAL 20 -4.360 5.150 11.611
162 HG23 VAL 20 HG23 VAL 20 -3.577 5.157 13.191
163 H CYS 21 H CYS 21 -1.941 1.529 9.906
164 HA CYS 21 HA CYS 21 -3.665 -0.657 9.616
165 HB2 CYS 21 HB2 CYS 21 -0.728 -0.556 8.922
166 HB3 CYS 21 HB3 CYS 21 -1.960 -1.578 8.187
167 HA PRO 22 HA PRO 22 -2.298 -3.179 13.085
168 HB2 PRO 22 HB2 PRO 22 -3.900 -5.291 12.560
169 HB3 PRO 22 HB3 PRO 22 -4.520 -3.802 13.283
170 HG2 PRO 22 HG2 PRO 22 -4.654 -4.728 10.443
171 HG3 PRO 22 HG3 PRO 22 -5.901 -3.939 11.424
172 HD2 PRO 22 HD2 PRO 22 -4.368 -2.619 9.593
173 HD3 PRO 22 HD3 PRO 22 -5.057 -1.844 11.029
174 H LYS 23 H LYS 23 -1.715 -5.751 13.078
175 HA LYS 23 HA LYS 23 -0.161 -6.147 10.627
176 HB2 LYS 23 HB2 LYS 23 1.567 -7.072 11.823
177 HB3 LYS 23 HB3 LYS 23 0.931 -5.917 12.985
178 HG2 LYS 23 HG2 LYS 23 0.330 -8.866 12.956
179 HG3 LYS 23 HG3 LYS 23 1.488 -8.059 14.016
180 HD2 LYS 23 HD2 LYS 23 -0.342 -6.691 14.921
181 HD3 LYS 23 HD3 LYS 23 -1.475 -7.577 13.900
182 HE2 LYS 23 HE2 LYS 23 -0.847 -9.662 15.038
183 HE3 LYS 23 HE3 LYS 23 0.258 -8.757 16.070
184 HZ1 LYS 23 HZ1 LYS 23 -2.652 -8.391 15.969
185 HZ2 LYS 23 HZ2 LYS 23 -1.634 -7.560 16.925
186 HZ3 LYS 23 HZ3 LYS 23 -1.836 -9.157 17.153
187 HA PRO 24 HA PRO 24 0.975 -7.472 9.825
188 HB2 PRO 24 HB2 PRO 24 1.224 -9.056 7.682
189 HB3 PRO 24 HB3 PRO 24 1.640 -9.639 9.297
190 HG2 PRO 24 HG2 PRO 24 -0.806 -10.162 7.667
191 HG3 PRO 24 HG3 PRO 24 0.096 -11.264 8.718
192 HD2 PRO 24 HD2 PRO 24 -2.240 -9.908 9.417
193 HD3 PRO 24 HD3 PRO 24 -1.092 -10.629 10.560
194 H PHE 25 H PHE 25 0.150 -5.480 9.132
195 HA PHE 25 HA PHE 25 -0.808 -5.420 6.383
196 HB2 PHE 25 HB2 PHE 25 -2.271 -4.147 8.706
197 HB3 PHE 25 HB3 PHE 25 -2.508 -3.637 7.039
198 HD1 PHE 25 HD1 PHE 25 -3.955 -4.798 5.624
199 HD2 PHE 25 HD2 PHE 25 -2.789 -6.517 9.334
200 HE1 PHE 25 HE1 PHE 25 -5.617 -6.581 5.314
201 HE2 PHE 25 HE2 PHE 25 -4.457 -8.304 9.028
202 HZ PHE 25 HZ PHE 25 -5.862 -8.333 7.010
203 H ALA 26 H ALA 26 -0.050 -3.720 5.252
204 HA ALA 26 HA ALA 26 1.555 -1.766 6.770
205 HB1 ALA 26 HB1 ALA 26 3.205 -1.766 5.066
206 HB2 ALA 26 HB2 ALA 26 2.181 -2.708 3.984
207 HB3 ALA 26 HB3 ALA 26 2.860 -3.462 5.427
208 H ALA 27 H ALA 27 1.206 0.334 6.391
209 HA ALA 27 HA ALA 27 -0.867 1.296 4.771
210 HB1 ALA 27 HB1 ALA 27 1.528 2.713 5.935
211 HB2 ALA 27 HB2 ALA 27 -0.060 2.546 6.680
212 HB3 ALA 27 HB3 ALA 27 0.134 3.516 5.220
213 H PHE 28 H PHE 28 -0.726 0.671 2.672
214 HA PHE 28 HA PHE 28 1.725 1.273 1.200
215 HB2 PHE 28 HB2 PHE 28 -0.361 -0.768 1.002
216 HB3 PHE 28 HB3 PHE 28 0.035 -0.046 -0.547
217 HD1 PHE 28 HD1 PHE 28 0.596 -2.835 1.054
218 HD2 PHE 28 HD2 PHE 28 2.871 0.461 -0.362
219 HE1 PHE 28 HE1 PHE 28 2.578 -4.276 0.910
220 HE2 PHE 28 HE2 PHE 28 4.862 -0.973 -0.505
221 HZ PHE 28 HZ PHE 28 4.717 -3.344 0.128
222 H GLY 29 H GLY 29 1.508 3.461 0.993
223 HA2 GLY 29 HA2 GLY 29 0.860 5.416 0.001
224 HA3 GLY 29 HA3 GLY 29 0.354 4.399 -1.337
225 H THR 30 H THR 30 -1.519 5.326 -1.906
226 HA THR 30 HA THR 30 -3.693 5.208 0.056
227 HB THR 30 HB THR 30 -4.597 7.358 -0.705
228 HG1 THR 30 HG1 THR 30 -2.175 7.646 -2.192
229 HG21 THR 30 HG21 THR 30 -1.759 7.378 0.299
230 HG22 THR 30 HG22 THR 30 -3.247 7.586 1.223
231 HG23 THR 30 HG23 THR 30 -2.698 8.858 0.130
232 H CYS 31 H CYS 31 -5.748 4.729 -0.868
233 HA CYS 31 HA CYS 31 -5.672 3.304 -3.321
234 HB2 CYS 31 HB2 CYS 31 -8.107 4.195 -1.780
235 HB3 CYS 31 HB3 CYS 31 -7.995 2.850 -2.907
236 H SER 32 H SER 32 -7.926 5.896 -2.423
237 HA SER 32 HA SER 32 -7.859 6.794 -5.223
238 HB2 SER 32 HB2 SER 32 -10.016 5.787 -4.350
239 HB3 SER 32 HB3 SER 32 -10.130 7.158 -3.248
240 HG SER 32 HG SER 32 -9.667 8.047 -5.738
241 H TRP 33 H TRP 33 -9.042 8.214 -2.198
242 HA TRP 33 HA TRP 33 -7.581 10.660 -2.782
243 HB2 TRP 33 HB2 TRP 33 -9.208 10.261 -0.289
244 HB3 TRP 33 HB3 TRP 33 -8.944 11.730 -1.216
245 HD1 TRP 33 HD1 TRP 33 -11.752 10.017 -0.275
246 HE1 TRP 33 HE1 TRP 33 -13.595 9.854 -2.058
247 HE3 TRP 33 HE3 TRP 33 -8.967 11.077 -4.443
248 HZ2 TRP 33 HZ2 TRP 33 -13.840 10.124 -4.844
249 HZ3 TRP 33 HZ3 TRP 33 -10.101 11.099 -6.628
250 HH2 TRP 33 HH2 TRP 33 -12.475 10.632 -6.822
251 H ARG 34 H ARG 34 -6.109 11.558 -1.201
252 HA ARG 34 HA ARG 34 -4.314 9.679 -0.113
253 HB2 ARG 34 HB2 ARG 34 -3.719 12.002 -0.789
254 HB3 ARG 34 HB3 ARG 34 -4.612 12.604 0.598
255 HG2 ARG 34 HG2 ARG 34 -2.411 10.646 0.996
256 HG3 ARG 34 HG3 ARG 34 -2.037 12.337 0.708
257 HD2 ARG 34 HD2 ARG 34 -3.748 11.226 2.926
258 HD3 ARG 34 HD3 ARG 34 -2.114 11.859 3.092
259 HE ARG 34 HE ARG 34 -3.773 13.837 1.965
260 HH11 ARG 34 HH11 ARG 34 -3.181 12.179 4.988
261 HH12 ARG 34 HH12 ARG 34 -3.777 13.479 5.968
262 HH21 ARG 34 HH21 ARG 34 -4.572 15.554 3.254
263 HH22 ARG 34 HH22 ARG 34 -4.578 15.394 4.983
264 H GLN 35 H GLN 35 -7.025 11.349 1.093
265 HA GLN 35 HA GLN 35 -6.873 11.135 3.826
266 HB2 GLN 35 HB2 GLN 35 -9.338 10.731 2.143
267 HB3 GLN 35 HB3 GLN 35 -9.290 11.249 3.822
268 HG2 GLN 35 HG2 GLN 35 -8.007 13.236 3.094
269 HG3 GLN 35 HG3 GLN 35 -8.268 12.740 1.431
270 HE21 GLN 35 HE21 GLN 35 -10.303 12.916 0.529
271 HE22 GLN 35 HE22 GLN 35 -11.570 13.835 1.260
272 H LYS 36 H LYS 36 -7.231 8.573 1.578
273 HA LYS 36 HA LYS 36 -7.562 6.754 3.861
274 HB2 LYS 36 HB2 LYS 36 -8.537 5.091 2.169
275 HB3 LYS 36 HB3 LYS 36 -9.561 6.385 2.759
276 HG2 LYS 36 HG2 LYS 36 -8.089 6.959 0.281
277 HG3 LYS 36 HG3 LYS 36 -9.329 5.705 0.178
278 HD2 LYS 36 HD2 LYS 36 -9.813 8.431 1.374
279 HD3 LYS 36 HD3 LYS 36 -10.129 8.041 -0.319
280 HE2 LYS 36 HE2 LYS 36 -11.837 6.557 0.214
281 HE3 LYS 36 HE3 LYS 36 -11.289 6.363 1.870
282 HZ1 LYS 36 HZ1 LYS 36 -12.020 8.609 2.296
283 HZ2 LYS 36 HZ2 LYS 36 -13.257 7.706 1.755
284 HZ3 LYS 36 HZ3 LYS 36 -12.541 8.772 0.766
285 H THR 37 H THR 37 -6.070 5.361 4.206
286 HA THR 37 HA THR 37 -3.816 5.098 2.387
287 HB THR 37 HB THR 37 -4.246 3.878 5.126
288 HG1 THR 37 HG1 THR 37 -3.887 6.429 4.442
289 HG21 THR 37 HG21 THR 37 -1.693 4.410 3.604
290 HG22 THR 37 HG22 THR 37 -2.470 2.834 3.750
291 HG23 THR 37 HG23 THR 37 -1.837 3.642 5.186
292 H CYS 38 H CYS 38 -3.153 3.098 1.477
293 HA CYS 38 HA CYS 38 -5.303 1.116 1.303
294 HB2 CYS 38 HB2 CYS 38 -3.985 2.207 -0.693
295 HB3 CYS 38 HB3 CYS 38 -2.761 1.014 -0.284
296 H CYS 39 H CYS 39 -5.169 -0.299 2.965
297 HA CYS 39 HA CYS 39 -2.487 -1.123 3.855
298 HB2 CYS 39 HB2 CYS 39 -5.123 -1.129 5.328
299 HB3 CYS 39 HB3 CYS 39 -3.605 -1.731 5.986
300 H VAL 40 H VAL 40 -1.973 -2.922 2.773
301 HA VAL 40 HA VAL 40 -3.979 -5.038 2.500
302 HB VAL 40 HB VAL 40 -2.516 -4.271 0.547
303 HG11 VAL 40 HG11 VAL 40 -0.401 -4.245 1.807
304 HG12 VAL 40 HG12 VAL 40 -0.318 -5.203 0.332
305 HG13 VAL 40 HG13 VAL 40 -0.457 -6.005 1.898
306 HG21 VAL 40 HG21 VAL 40 -3.858 -6.204 0.319
307 HG22 VAL 40 HG22 VAL 40 -2.776 -7.160 1.333
308 HG23 VAL 40 HG23 VAL 40 -2.250 -6.633 -0.269
309 H ASP 41 H ASP 41 -3.567 -7.167 3.170
310 HA ASP 41 HA ASP 41 -2.140 -7.468 5.571
311 HB2 ASP 41 HB2 ASP 41 -2.705 -9.920 5.050
312 HB3 ASP 41 HB3 ASP 41 -4.026 -8.818 5.343
313 H THR 42 H THR 42 -0.030 -6.958 5.235
314 HA THR 42 HA THR 42 1.399 -7.884 2.943
315 HB THR 42 HB THR 42 3.358 -6.834 4.338
316 HG1 THR 42 HG1 THR 42 2.685 -6.371 6.294
317 HG21 THR 42 HG21 THR 42 2.739 -4.624 3.565
318 HG22 THR 42 HG22 THR 42 1.053 -5.116 3.409
319 HG23 THR 42 HG23 THR 42 2.280 -5.822 2.357
320 H THR 43 H THR 43 1.076 -10.172 3.273
321 HA THR 43 HA THR 43 3.141 -11.249 5.053
322 HB THR 43 HB THR 43 1.096 -12.224 5.716
323 HG1 THR 43 HG1 THR 43 1.539 -14.476 4.466
324 HG21 THR 43 HG21 THR 43 -0.166 -11.663 3.620
325 HG22 THR 43 HG22 THR 43 -0.516 -13.252 4.297
326 HG23 THR 43 HG23 THR 43 0.535 -13.108 2.891
327 H SER 44 H SER 44 1.631 -12.062 1.902
328 HA SER 44 HA SER 44 4.235 -13.010 0.964
329 HB2 SER 44 HB2 SER 44 2.316 -14.519 0.689
330 HB3 SER 44 HB3 SER 44 1.502 -13.300 -0.282
331 HG SER 44 HG SER 44 2.729 -13.764 -1.943
332 H ASP 45 H ASP 45 1.627 -10.813 -0.033
333 HA ASP 45 HA ASP 45 2.958 -10.145 -2.492
334 HB2 ASP 45 HB2 ASP 45 0.967 -8.930 -3.048
335 HB3 ASP 45 HB3 ASP 45 0.491 -10.454 -2.311
336 H PHE 46 H PHE 46 3.230 -8.998 0.569
337 HA PHE 46 HA PHE 46 3.138 -6.297 0.584
338 HB2 PHE 46 HB2 PHE 46 4.782 -6.318 2.340
339 HB3 PHE 46 HB3 PHE 46 3.616 -7.624 2.536
340 HD1 PHE 46 HD1 PHE 46 7.016 -6.740 2.369
341 HD2 PHE 46 HD2 PHE 46 4.301 -9.875 1.627
342 HE1 PHE 46 HE1 PHE 46 8.878 -8.339 2.458
343 HE2 PHE 46 HE2 PHE 46 6.131 -11.510 1.703
344 HZ PHE 46 HZ PHE 46 8.442 -10.745 2.117
345 H HIS 47 H HIS 47 5.463 -8.149 -1.139
346 HA HIS 47 HA HIS 47 7.491 -6.223 -1.397
347 HB2 HIS 47 HB2 HIS 47 6.733 -8.606 -3.040
348 HB3 HIS 47 HB3 HIS 47 7.974 -7.493 -3.612
349 HD1 HIS 47 HD1 HIS 47 9.835 -6.978 -1.538
350 HD2 HIS 47 HD2 HIS 47 7.829 -10.617 -1.610
351 HE1 HIS 47 HE1 HIS 47 11.185 -8.520 -0.091
352 HE2 HIS 47 HE2 HIS 47 9.905 -10.690 -0.065
353 H THR 48 H THR 48 4.392 -5.947 -2.376
354 HA THR 48 HA THR 48 4.189 -4.791 -4.831
355 HB THR 48 HB THR 48 2.906 -4.114 -2.210
356 HG1 THR 48 HG1 THR 48 2.081 -6.000 -2.780
357 HG21 THR 48 HG21 THR 48 1.147 -2.908 -3.393
358 HG22 THR 48 HG22 THR 48 2.004 -3.128 -4.918
359 HG23 THR 48 HG23 THR 48 2.713 -2.123 -3.647
360 H CYS 49 H CYS 49 6.261 -3.615 -2.461
361 HA CYS 49 HA CYS 49 5.895 -0.994 -2.092
362 HB2 CYS 49 HB2 CYS 49 8.021 -0.920 -1.288
363 HB3 CYS 49 HB3 CYS 49 7.847 -2.657 -1.434
364 H GLN 50 H GLN 50 7.583 -2.180 -5.069
365 HA GLN 50 HA GLN 50 8.173 0.449 -5.925
366 HB2 GLN 50 HB2 GLN 50 8.773 -0.552 -8.078
367 HB3 GLN 50 HB3 GLN 50 9.516 -1.373 -6.728
368 HG2 GLN 50 HG2 GLN 50 7.024 -2.394 -8.045
369 HG3 GLN 50 HG3 GLN 50 8.636 -2.798 -8.629
370 HE21 GLN 50 HE21 GLN 50 6.274 -3.315 -6.198
371 HE22 GLN 50 HE22 GLN 50 7.121 -4.541 -5.306
372 H ASP 51 H ASP 51 5.308 -1.457 -6.230
373 HA ASP 51 HA ASP 51 4.125 -0.166 -8.464
374 HB2 ASP 51 HB2 ASP 51 3.113 -2.190 -7.722
375 HB3 ASP 51 HB3 ASP 51 2.977 -1.607 -6.069
376 H LYS 52 H LYS 52 4.238 0.489 -5.061
377 HA LYS 52 HA LYS 52 2.278 2.626 -5.235
378 HB2 LYS 52 HB2 LYS 52 3.775 1.453 -2.896
379 HB3 LYS 52 HB3 LYS 52 2.481 2.636 -2.782
380 HG2 LYS 52 HG2 LYS 52 1.838 0.226 -4.319
381 HG3 LYS 52 HG3 LYS 52 2.149 -0.026 -2.603
382 HD2 LYS 52 HD2 LYS 52 -0.258 0.407 -3.195
383 HD3 LYS 52 HD3 LYS 52 0.414 1.512 -1.995
384 HE2 LYS 52 HE2 LYS 52 -0.871 2.796 -3.546
385 HE3 LYS 52 HE3 LYS 52 0.830 3.147 -3.829
386 HZ1 LYS 52 HZ1 LYS 52 -1.017 1.640 -5.499
387 HZ2 LYS 52 HZ2 LYS 52 0.571 1.319 -5.606
388 HZ3 LYS 52 HZ3 LYS 52 0.019 2.818 -5.928
389 H GLY 53 H GLY 53 5.168 2.658 -6.222
390 HA2 GLY 53 HA2 GLY 53 6.474 4.547 -6.666
391 HA3 GLY 53 HA3 GLY 53 5.672 5.384 -5.342
392 H GLY 54 H GLY 54 7.021 2.184 -4.993
393 HA2 GLY 54 HA2 GLY 54 8.850 3.111 -2.975
394 HA3 GLY 54 HA3 GLY 54 8.686 1.462 -3.550
395 H HIS 55 H HIS 55 10.518 4.202 -3.557
396 HA HIS 55 HA HIS 55 12.047 3.457 -5.951
397 HB2 HIS 55 HB2 HIS 55 12.031 5.988 -4.289
398 HB3 HIS 55 HB3 HIS 55 13.156 5.695 -5.609
399 HD1 HIS 55 HD1 HIS 55 12.444 6.714 -7.737
400 HD2 HIS 55 HD2 HIS 55 9.182 5.731 -5.344
401 HE1 HIS 55 HE1 HIS 55 10.417 7.517 -8.990
402 HE2 HIS 55 HE2 HIS 55 8.452 6.868 -7.553
403 H CYS 56 H CYS 56 14.522 4.063 -5.545
404 HA CYS 56 HA CYS 56 15.278 2.678 -3.064
405 HB2 CYS 56 HB2 CYS 56 16.467 2.465 -5.830
406 HB3 CYS 56 HB3 CYS 56 17.265 1.849 -4.387
407 H VAL 57 H VAL 57 16.490 3.832 -1.736
408 HA VAL 57 HA VAL 57 18.126 5.980 -2.897
409 HB VAL 57 HB VAL 57 17.662 7.423 -1.013
410 HG11 VAL 57 HG11 VAL 57 16.181 7.547 -2.939
411 HG12 VAL 57 HG12 VAL 57 15.329 7.940 -1.444
412 HG13 VAL 57 HG13 VAL 57 15.109 6.359 -2.195
413 HG21 VAL 57 HG21 VAL 57 15.956 6.850 0.662
414 HG22 VAL 57 HG22 VAL 57 17.364 5.792 0.739
415 HG23 VAL 57 HG23 VAL 57 15.871 5.220 -0.007
416 H SER 58 H SER 58 20.138 6.110 -2.246
417 HA SER 58 HA SER 58 21.386 4.099 -0.721
418 HB2 SER 58 HB2 SER 58 22.680 5.189 -2.382
419 HB3 SER 58 HB3 SER 58 22.257 6.790 -1.787
420 HG SER 58 HG SER 58 24.412 5.524 -1.246
421 HA PRO 59 HA PRO 59 20.865 5.474 3.432
422 HB2 PRO 59 HB2 PRO 59 23.330 4.951 4.495
423 HB3 PRO 59 HB3 PRO 59 22.112 3.713 4.174
424 HG2 PRO 59 HG2 PRO 59 24.480 4.512 2.527
425 HG3 PRO 59 HG3 PRO 59 23.873 2.891 2.901
426 HD2 PRO 59 HD2 PRO 59 23.392 4.069 0.538
427 HD3 PRO 59 HD3 PRO 59 22.189 3.019 1.313
428 H LYS 60 H LYS 60 22.943 7.042 1.308
429 HA LYS 60 HA LYS 60 23.466 9.190 3.240
430 HB2 LYS 60 HB2 LYS 60 25.051 10.082 1.606
431 HB3 LYS 60 HB3 LYS 60 25.428 8.416 2.012
432 HG2 LYS 60 HG2 LYS 60 24.433 7.660 -0.072
433 HG3 LYS 60 HG3 LYS 60 23.997 9.323 -0.476
434 HD2 LYS 60 HD2 LYS 60 26.342 9.952 -0.518
435 HD3 LYS 60 HD3 LYS 60 26.808 8.321 -0.038
436 HE2 LYS 60 HE2 LYS 60 25.873 7.435 -2.107
437 HE3 LYS 60 HE3 LYS 60 25.366 9.055 -2.580
438 HZ1 LYS 60 HZ1 LYS 60 27.439 8.403 -3.612
439 HZ2 LYS 60 HZ2 LYS 60 28.148 8.230 -2.161
440 HZ3 LYS 60 HZ3 LYS 60 27.658 9.701 -2.652
441 H ILE 61 H ILE 61 21.152 8.274 1.172
442 HA ILE 61 HA ILE 61 20.512 10.921 0.118
443 HB ILE 61 HB ILE 61 18.990 8.313 -0.074
444 HG12 ILE 61 HG12 ILE 61 21.259 8.539 -1.241
445 HG13 ILE 61 HG13 ILE 61 19.897 8.007 -2.216
446 HG21 ILE 61 HG21 ILE 61 18.535 10.944 -1.478
447 HG22 ILE 61 HG22 ILE 61 17.506 10.227 -0.239
448 HG23 ILE 61 HG23 ILE 61 17.669 9.445 -1.811
449 HD11 ILE 61 HD11 ILE 61 19.670 10.297 -3.076
450 HD12 ILE 61 HD12 ILE 61 21.235 9.573 -3.439
451 HD13 ILE 61 HD13 ILE 61 21.094 10.764 -2.144
452 H ARG 62 H ARG 62 19.195 12.276 1.157
453 HA ARG 62 HA ARG 62 18.064 11.366 3.664
454 HB2 ARG 62 HB2 ARG 62 18.278 14.127 2.464
455 HB3 ARG 62 HB3 ARG 62 17.547 13.786 4.030
456 HG2 ARG 62 HG2 ARG 62 19.666 12.835 4.796
457 HG3 ARG 62 HG3 ARG 62 20.398 13.241 3.243
458 HD2 ARG 62 HD2 ARG 62 19.235 15.192 5.226
459 HD3 ARG 62 HD3 ARG 62 20.949 14.919 4.918
460 HE ARG 62 HE ARG 62 19.122 15.939 2.837
461 HH11 ARG 62 HH11 ARG 62 22.112 16.163 4.663
462 HH12 ARG 62 HH12 ARG 62 22.741 17.459 3.702
463 HH21 ARG 62 HH21 ARG 62 19.968 17.643 1.573
464 HH22 ARG 62 HH22 ARG 62 21.530 18.294 1.945
465 H CYS 63 H CYS 63 16.470 10.095 3.007
466 HA CYS 63 HA CYS 63 14.038 11.434 2.047
467 HB2 CYS 63 HB2 CYS 63 14.929 10.181 0.154
468 HB3 CYS 63 HB3 CYS 63 15.113 8.748 1.156
469 H LEU 64 H LEU 64 12.124 10.706 3.043
470 HA LEU 64 HA LEU 64 12.426 9.031 5.363
471 HB2 LEU 64 HB2 LEU 64 9.985 10.081 3.927
472 HB3 LEU 64 HB3 LEU 64 9.886 9.056 5.342
473 HG LEU 64 HG LEU 64 9.548 11.264 6.102
474 HD11 LEU 64 HD11 LEU 64 12.432 10.586 6.640
475 HD12 LEU 64 HD12 LEU 64 11.041 9.933 7.502
476 HD13 LEU 64 HD13 LEU 64 11.411 11.654 7.602
477 HD21 LEU 64 HD21 LEU 64 12.019 12.055 4.568
478 HD22 LEU 64 HD22 LEU 64 11.100 13.108 5.643
479 HD23 LEU 64 HD23 LEU 64 10.354 12.484 4.172
480 H GLU 65 H GLU 65 13.330 7.190 4.596
481 HA GLU 65 HA GLU 65 12.150 5.914 2.272
482 HB2 GLU 65 HB2 GLU 65 14.300 4.377 2.805
483 HB3 GLU 65 HB3 GLU 65 14.348 5.813 1.807
484 HG2 GLU 65 HG2 GLU 65 16.203 5.860 3.285
485 HG3 GLU 65 HG3 GLU 65 15.080 7.115 3.780
486 H GLU 66 H GLU 66 10.264 5.045 3.217
487 HA GLU 66 HA GLU 66 10.750 2.349 4.089
488 HB2 GLU 66 HB2 GLU 66 9.535 4.368 5.916
489 HB3 GLU 66 HB3 GLU 66 8.953 2.708 5.966
490 HG2 GLU 66 HG2 GLU 66 11.798 2.707 5.918
491 HG3 GLU 66 HG3 GLU 66 11.230 3.792 7.198
492 H GLN 67 H GLN 67 9.833 2.147 1.932
493 HA GLN 67 HA GLN 67 6.918 2.292 1.869
494 HB2 GLN 67 HB2 GLN 67 8.020 2.775 -0.232
495 HB3 GLN 67 HB3 GLN 67 8.937 1.276 -0.147
496 HG2 GLN 67 HG2 GLN 67 7.268 0.742 -1.632
497 HG3 GLN 67 HG3 GLN 67 6.618 0.139 -0.109
498 HE21 GLN 67 HE21 GLN 67 6.177 2.156 -2.750
499 HE22 GLN 67 HE22 GLN 67 4.740 2.963 -2.233
500 H LEU 68 H LEU 68 9.211 -0.290 1.036
501 HA LEU 68 HA LEU 68 8.456 -2.074 3.080
502 HB2 LEU 68 HB2 LEU 68 6.501 -1.972 1.184
503 HB3 LEU 68 HB3 LEU 68 7.523 -3.239 0.528
504 HG LEU 68 HG LEU 68 5.928 -4.387 1.788
505 HD11 LEU 68 HD11 LEU 68 8.281 -4.018 3.631
506 HD12 LEU 68 HD12 LEU 68 8.172 -5.165 2.298
507 HD13 LEU 68 HD13 LEU 68 7.113 -5.337 3.700
508 HD21 LEU 68 HD21 LEU 68 6.330 -2.389 4.008
509 HD22 LEU 68 HD22 LEU 68 5.257 -3.787 4.060
510 HD23 LEU 68 HD23 LEU 68 4.943 -2.475 2.922
511 H GLY 69 H GLY 69 10.510 -2.846 3.313
512 HA2 GLY 69 HA2 GLY 69 11.785 -4.782 2.833
513 HA3 GLY 69 HA3 GLY 69 11.319 -4.640 1.150
514 H LEU 70 H LEU 70 13.679 -5.195 1.140
515 HA LEU 70 HA LEU 70 15.411 -2.833 1.404
516 HB2 LEU 70 HB2 LEU 70 15.827 -5.044 2.660
517 HB3 LEU 70 HB3 LEU 70 16.288 -5.693 1.103
518 HG LEU 70 HG LEU 70 18.100 -4.836 2.742
519 HD11 LEU 70 HD11 LEU 70 18.589 -5.630 0.520
520 HD12 LEU 70 HD12 LEU 70 19.543 -4.194 0.885
521 HD13 LEU 70 HD13 LEU 70 18.126 -4.070 -0.158
522 HD21 LEU 70 HD21 LEU 70 17.416 -2.236 1.404
523 HD22 LEU 70 HD22 LEU 70 18.706 -2.539 2.566
524 HD23 LEU 70 HD23 LEU 70 17.022 -2.628 3.079
525 H CYS 71 H CYS 71 16.781 -2.288 -0.333
526 HA CYS 71 HA CYS 71 15.583 -2.937 -2.906
527 HB2 CYS 71 HB2 CYS 71 17.266 -0.721 -1.850
528 HB3 CYS 71 HB3 CYS 71 17.304 -1.045 -3.580
529 HA PRO 72 HA PRO 72 18.607 -5.435 -4.977
530 HB2 PRO 72 HB2 PRO 72 19.315 -2.925 -6.459
531 HB3 PRO 72 HB3 PRO 72 19.104 -4.573 -7.079
532 HG2 PRO 72 HG2 PRO 72 17.164 -2.753 -7.319
533 HG3 PRO 72 HG3 PRO 72 16.796 -4.454 -6.984
534 HD2 PRO 72 HD2 PRO 72 16.580 -2.102 -5.214
535 HD3 PRO 72 HD3 PRO 72 15.753 -3.667 -5.117
536 H LEU 73 H LEU 73 19.897 -2.121 -4.404
537 HA LEU 73 HA LEU 73 22.473 -3.218 -3.717
538 HB2 LEU 73 HB2 LEU 73 21.474 -0.390 -3.395
539 HB3 LEU 73 HB3 LEU 73 23.127 -0.931 -3.179
540 HG LEU 73 HG LEU 73 21.685 -1.314 -5.757
541 HD11 LEU 73 HD11 LEU 73 23.401 1.017 -4.959
542 HD12 LEU 73 HD12 LEU 73 21.672 1.067 -5.303
543 HD13 LEU 73 HD13 LEU 73 22.818 0.687 -6.590
544 HD21 LEU 73 HD21 LEU 73 23.696 -2.660 -5.334
545 HD22 LEU 73 HD22 LEU 73 24.609 -1.171 -5.083
546 HD23 LEU 73 HD23 LEU 73 23.917 -1.523 -6.664
547 H LYS 74 H LYS 74 23.299 -3.502 -1.807
548 HA LYS 74 HA LYS 74 21.489 -4.579 0.031
549 HB2 LYS 74 HB2 LYS 74 23.912 -5.242 -0.431
550 HB3 LYS 74 HB3 LYS 74 24.357 -3.957 0.682
551 HG2 LYS 74 HG2 LYS 74 24.343 -5.728 2.107
552 HG3 LYS 74 HG3 LYS 74 22.672 -5.194 2.273
553 HD2 LYS 74 HD2 LYS 74 23.643 -7.418 0.476
554 HD3 LYS 74 HD3 LYS 74 22.834 -7.629 2.025
555 HE2 LYS 74 HE2 LYS 74 20.861 -6.435 1.081
556 HE3 LYS 74 HE3 LYS 74 21.678 -6.422 -0.481
557 HZ1 LYS 74 HZ1 LYS 74 21.690 -8.819 -0.417
558 HZ2 LYS 74 HZ2 LYS 74 20.169 -8.264 -0.307
559 HZ3 LYS 74 HZ3 LYS 74 20.921 -8.826 1.016
560 H ARG 75 H ARG 75 22.957 -1.436 -0.033
561 HA ARG 75 HA ARG 75 22.291 -0.957 2.777
562 HB2 ARG 75 HB2 ARG 75 23.796 0.739 0.793
563 HB3 ARG 75 HB3 ARG 75 23.578 1.106 2.496
564 HG2 ARG 75 HG2 ARG 75 24.903 -0.742 3.158
565 HG3 ARG 75 HG3 ARG 75 24.939 -1.380 1.513
566 HD2 ARG 75 HD2 ARG 75 26.111 1.248 2.382
567 HD3 ARG 75 HD3 ARG 75 27.027 -0.239 2.146
568 HE ARG 75 HE ARG 75 25.548 0.380 -0.193
569 HH11 ARG 75 HH11 ARG 75 28.358 1.425 1.625
570 HH12 ARG 75 HH12 ARG 75 29.198 2.026 0.232
571 HH21 ARG 75 HH21 ARG 75 26.668 1.173 -2.036
572 HH22 ARG 75 HH22 ARG 75 28.245 1.872 -1.846
573 H TRP 76 H TRP 76 20.682 -0.763 -0.055
574 HA TRP 76 HA TRP 76 19.649 1.952 0.315
575 HB2 TRP 76 HB2 TRP 76 19.411 -0.018 -1.952
576 HB3 TRP 76 HB3 TRP 76 18.582 1.535 -1.926
577 HD1 TRP 76 HD1 TRP 76 22.272 0.723 -1.058
578 HE1 TRP 76 HE1 TRP 76 23.775 2.221 -2.494
579 HE3 TRP 76 HE3 TRP 76 18.673 3.086 -3.774
580 HZ2 TRP 76 HZ2 TRP 76 23.468 4.154 -4.524
581 HZ3 TRP 76 HZ3 TRP 76 19.341 4.751 -5.435
582 HH2 TRP 76 HH2 TRP 76 21.693 5.278 -5.808
583 H THR 77 H THR 77 17.710 2.361 1.087
584 HA THR 77 HA THR 77 15.946 0.129 1.752
585 HB THR 77 HB THR 77 15.631 3.042 2.492
586 HG1 THR 77 HG1 THR 77 16.603 2.358 4.504
587 HG21 THR 77 HG21 THR 77 14.496 0.508 3.683
588 HG22 THR 77 HG22 THR 77 13.603 1.722 2.764
589 HG23 THR 77 HG23 THR 77 14.278 2.128 4.343
590 H CYS 78 H CYS 78 13.746 0.074 1.130
591 HA CYS 78 HA CYS 78 13.201 1.347 -1.422
592 HB2 CYS 78 HB2 CYS 78 12.599 -1.054 -0.964
593 HB3 CYS 78 HB3 CYS 78 11.420 -0.487 0.210
594 H CYS 79 H CYS 79 12.417 3.345 -1.449
595 HA CYS 79 HA CYS 79 11.075 4.339 0.970
596 HB2 CYS 79 HB2 CYS 79 13.036 5.541 0.564
597 HB3 CYS 79 HB3 CYS 79 12.715 5.698 -1.157
598 H LYS 80 H LYS 80 9.160 5.361 0.916
599 HA LYS 80 HA LYS 80 7.589 4.999 -1.519
600 HB2 LYS 80 HB2 LYS 80 6.874 4.307 0.877
601 HB3 LYS 80 HB3 LYS 80 6.546 6.013 1.116
602 HG2 LYS 80 HG2 LYS 80 5.327 4.471 -1.147
603 HG3 LYS 80 HG3 LYS 80 4.603 4.500 0.456
604 HD2 LYS 80 HD2 LYS 80 5.176 6.922 -1.246
605 HD3 LYS 80 HD3 LYS 80 3.599 6.145 -1.069
606 HE2 LYS 80 HE2 LYS 80 3.689 6.593 1.353
607 HE3 LYS 80 HE3 LYS 80 5.226 7.424 1.125
608 HZ1 LYS 80 HZ1 LYS 80 4.036 8.950 -0.355
609 HZ2 LYS 80 HZ2 LYS 80 3.497 9.014 1.178
610 HZ3 LYS 80 HZ3 LYS 80 2.627 8.238 0.044
611 H GLU 81 H GLU 81 8.143 6.629 -2.865
612 HA GLU 81 HA GLU 81 8.112 8.676 -3.826
613 HB2 GLU 81 HB2 GLU 81 6.126 9.224 -1.632
614 HB3 GLU 81 HB3 GLU 81 6.479 10.354 -2.931
615 HG2 GLU 81 HG2 GLU 81 5.721 8.734 -4.571
616 HG3 GLU 81 HG3 GLU 81 5.412 7.565 -3.287
617 H ILE 82 H ILE 82 10.087 9.462 -3.640
618 HA ILE 82 HA ILE 82 11.310 10.348 -1.250
619 HB ILE 82 HB ILE 82 12.041 11.074 -4.094
620 HG12 ILE 82 HG12 ILE 82 13.038 8.802 -2.360
621 HG13 ILE 82 HG13 ILE 82 11.911 8.629 -3.701
622 HG21 ILE 82 HG21 ILE 82 13.102 12.518 -2.444
623 HG22 ILE 82 HG22 ILE 82 14.288 11.438 -3.177
624 HG23 ILE 82 HG23 ILE 82 13.675 11.106 -1.557
625 HD11 ILE 82 HD11 ILE 82 13.621 9.401 -5.247
626 HD12 ILE 82 HD12 ILE 82 14.167 7.995 -4.332
627 HD13 ILE 82 HD13 ILE 82 14.747 9.605 -3.906
Start of MODEL 6
1 H1 LEU 1 H1 LEU 1 -18.663 3.695 -3.910
2 H2 LEU 1 H2 LEU 1 -18.676 4.922 -2.846
3 H3 LEU 1 H3 LEU 1 -19.142 3.440 -2.375
4 HA LEU 1 HA LEU 1 -16.971 3.873 -1.533
5 HB2 LEU 1 HB2 LEU 1 -17.734 1.587 -2.572
6 HB3 LEU 1 HB3 LEU 1 -16.596 2.005 -3.830
7 HG LEU 1 HG LEU 1 -14.793 2.100 -2.183
8 HD11 LEU 1 HD11 LEU 1 -16.900 1.107 -0.272
9 HD12 LEU 1 HD12 LEU 1 -16.065 2.659 -0.196
10 HD13 LEU 1 HD13 LEU 1 -15.170 1.162 0.059
11 HD21 LEU 1 HD21 LEU 1 -15.191 0.059 -3.442
12 HD22 LEU 1 HD22 LEU 1 -16.343 -0.483 -2.223
13 HD23 LEU 1 HD23 LEU 1 -14.636 -0.315 -1.811
14 HA PRO 2 HA PRO 2 -14.728 6.927 -3.745
15 HB2 PRO 2 HB2 PRO 2 -12.351 5.640 -2.470
16 HB3 PRO 2 HB3 PRO 2 -12.841 7.343 -2.495
17 HG2 PRO 2 HG2 PRO 2 -13.248 5.960 -0.315
18 HG3 PRO 2 HG3 PRO 2 -14.553 6.995 -0.932
19 HD2 PRO 2 HD2 PRO 2 -14.230 4.016 -1.212
20 HD3 PRO 2 HD3 PRO 2 -15.677 4.941 -0.765
21 H ARG 3 H ARG 3 -13.413 7.266 -5.444
22 HA ARG 3 HA ARG 3 -13.609 5.754 -7.605
23 HB2 ARG 3 HB2 ARG 3 -12.761 8.019 -7.632
24 HB3 ARG 3 HB3 ARG 3 -11.251 7.493 -6.909
25 HG2 ARG 3 HG2 ARG 3 -10.870 6.084 -8.943
26 HG3 ARG 3 HG3 ARG 3 -12.277 6.871 -9.664
27 HD2 ARG 3 HD2 ARG 3 -11.215 9.034 -9.451
28 HD3 ARG 3 HD3 ARG 3 -9.843 8.305 -8.624
29 HE ARG 3 HE ARG 3 -10.519 7.607 -11.402
30 HH11 ARG 3 HH11 ARG 3 -8.199 8.602 -8.969
31 HH12 ARG 3 HH12 ARG 3 -6.863 8.629 -10.076
32 HH21 ARG 3 HH21 ARG 3 -8.751 7.618 -12.846
33 HH22 ARG 3 HH22 ARG 3 -7.178 8.069 -12.276
34 H ASP 4 H ASP 4 -10.769 5.472 -5.453
35 HA ASP 4 HA ASP 4 -9.783 3.362 -7.245
36 HB2 ASP 4 HB2 ASP 4 -8.288 5.099 -5.284
37 HB3 ASP 4 HB3 ASP 4 -7.560 3.790 -6.209
38 H THR 5 H THR 5 -11.436 3.529 -4.434
39 HA THR 5 HA THR 5 -9.914 1.906 -2.702
40 HB THR 5 HB THR 5 -12.903 2.323 -2.797
41 HG1 THR 5 HG1 THR 5 -11.777 3.526 -0.737
42 HG21 THR 5 HG21 THR 5 -12.876 1.557 -0.456
43 HG22 THR 5 HG22 THR 5 -11.159 1.180 -0.609
44 HG23 THR 5 HG23 THR 5 -12.345 0.290 -1.563
45 H SER 6 H SER 6 -12.643 1.058 -4.857
46 HA SER 6 HA SER 6 -12.717 -1.660 -4.212
47 HB2 SER 6 HB2 SER 6 -14.510 -0.463 -5.394
48 HB3 SER 6 HB3 SER 6 -13.490 -0.356 -6.824
49 HG SER 6 HG SER 6 -13.765 -2.454 -7.207
50 H ARG 7 H ARG 7 -10.729 0.115 -6.454
51 HA ARG 7 HA ARG 7 -9.608 -2.162 -7.763
52 HB2 ARG 7 HB2 ARG 7 -9.542 -0.079 -8.940
53 HB3 ARG 7 HB3 ARG 7 -8.780 0.738 -7.584
54 HG2 ARG 7 HG2 ARG 7 -7.229 -1.514 -8.577
55 HG3 ARG 7 HG3 ARG 7 -7.496 -0.265 -9.793
56 HD2 ARG 7 HD2 ARG 7 -6.429 0.258 -7.021
57 HD3 ARG 7 HD3 ARG 7 -5.409 -0.011 -8.430
58 HE ARG 7 HE ARG 7 -7.318 2.233 -8.265
59 HH11 ARG 7 HH11 ARG 7 -4.151 0.946 -9.061
60 HH12 ARG 7 HH12 ARG 7 -3.526 2.478 -9.579
61 HH21 ARG 7 HH21 ARG 7 -6.479 4.257 -8.928
62 HH22 ARG 7 HH22 ARG 7 -4.836 4.349 -9.499
63 H CYS 8 H CYS 8 -8.600 -0.040 -5.131
64 HA CYS 8 HA CYS 8 -5.977 -1.026 -4.943
65 HB2 CYS 8 HB2 CYS 8 -7.136 1.110 -3.911
66 HB3 CYS 8 HB3 CYS 8 -7.377 0.025 -2.550
67 H VAL 9 H VAL 9 -8.994 -2.036 -3.457
68 HA VAL 9 HA VAL 9 -8.183 -3.379 -1.223
69 HB VAL 9 HB VAL 9 -10.363 -4.199 -3.145
70 HG11 VAL 9 HG11 VAL 9 -11.340 -5.427 -1.271
71 HG12 VAL 9 HG12 VAL 9 -9.934 -5.040 -0.280
72 HG13 VAL 9 HG13 VAL 9 -9.756 -6.072 -1.700
73 HG21 VAL 9 HG21 VAL 9 -10.446 -2.579 -0.607
74 HG22 VAL 9 HG22 VAL 9 -11.836 -3.030 -1.595
75 HG23 VAL 9 HG23 VAL 9 -10.603 -1.950 -2.247
76 H GLY 10 H GLY 10 -8.398 -4.785 -4.484
77 HA2 GLY 10 HA2 GLY 10 -7.357 -7.309 -3.565
78 HA3 GLY 10 HA3 GLY 10 -7.689 -6.865 -5.231
79 H TYR 11 H TYR 11 -5.959 -4.373 -4.750
80 HA TYR 11 HA TYR 11 -3.558 -5.768 -5.651
81 HB2 TYR 11 HB2 TYR 11 -4.431 -2.899 -5.901
82 HB3 TYR 11 HB3 TYR 11 -2.879 -3.506 -6.453
83 HD1 TYR 11 HD1 TYR 11 -5.503 -2.298 -7.887
84 HD2 TYR 11 HD2 TYR 11 -3.709 -6.138 -7.572
85 HE1 TYR 11 HE1 TYR 11 -6.552 -2.958 -10.010
86 HE2 TYR 11 HE2 TYR 11 -4.748 -6.806 -9.689
87 HH TYR 11 HH TYR 11 -6.734 -6.149 -11.063
88 H HIS 12 H HIS 12 -4.334 -2.993 -3.541
89 HA HIS 12 HA HIS 12 -1.700 -3.383 -2.268
90 HB2 HIS 12 HB2 HIS 12 -3.025 -0.692 -2.372
91 HB3 HIS 12 HB3 HIS 12 -1.319 -1.080 -2.196
92 HD1 HIS 12 HD1 HIS 12 -3.469 0.413 -4.516
93 HD2 HIS 12 HD2 HIS 12 -0.451 -2.426 -4.860
94 HE1 HIS 12 HE1 HIS 12 -2.779 0.447 -6.934
95 HE2 HIS 12 HE2 HIS 12 -1.042 -1.365 -7.144
96 H GLY 13 H GLY 13 -4.798 -3.910 -1.742
97 HA2 GLY 13 HA2 GLY 13 -5.564 -4.603 0.412
98 HA3 GLY 13 HA3 GLY 13 -4.540 -3.371 1.135
99 H TYR 14 H TYR 14 -6.803 -3.200 2.222
100 HA TYR 14 HA TYR 14 -8.811 -1.876 0.613
101 HB2 TYR 14 HB2 TYR 14 -10.119 -1.873 2.762
102 HB3 TYR 14 HB3 TYR 14 -9.647 -3.465 2.180
103 HD1 TYR 14 HD1 TYR 14 -8.421 -4.920 3.549
104 HD2 TYR 14 HD2 TYR 14 -8.730 -0.819 4.610
105 HE1 TYR 14 HE1 TYR 14 -7.412 -5.416 5.735
106 HE2 TYR 14 HE2 TYR 14 -7.718 -1.299 6.796
107 HH TYR 14 HH TYR 14 -7.432 -3.196 8.310
108 H CYS 15 H CYS 15 -9.962 0.027 1.993
109 HA CYS 15 HA CYS 15 -7.790 1.991 2.308
110 HB2 CYS 15 HB2 CYS 15 -10.455 2.372 0.940
111 HB3 CYS 15 HB3 CYS 15 -9.248 3.628 1.187
112 H ILE 16 H ILE 16 -7.858 1.984 4.556
113 HA ILE 16 HA ILE 16 -10.350 2.841 5.820
114 HB ILE 16 HB ILE 16 -9.128 2.634 7.964
115 HG12 ILE 16 HG12 ILE 16 -6.907 1.654 6.170
116 HG13 ILE 16 HG13 ILE 16 -6.861 3.019 7.269
117 HG21 ILE 16 HG21 ILE 16 -9.016 0.155 7.931
118 HG22 ILE 16 HG22 ILE 16 -9.207 0.216 6.178
119 HG23 ILE 16 HG23 ILE 16 -10.489 0.819 7.227
120 HD11 ILE 16 HD11 ILE 16 -5.627 1.116 8.144
121 HD12 ILE 16 HD12 ILE 16 -7.089 0.133 8.080
122 HD13 ILE 16 HD13 ILE 16 -7.004 1.515 9.168
123 H ARG 17 H ARG 17 -9.888 4.600 7.621
124 HA ARG 17 HA ARG 17 -9.379 6.930 6.150
125 HB2 ARG 17 HB2 ARG 17 -10.881 6.995 8.024
126 HB3 ARG 17 HB3 ARG 17 -9.621 6.482 9.131
127 HG2 ARG 17 HG2 ARG 17 -8.424 8.593 8.717
128 HG3 ARG 17 HG3 ARG 17 -9.752 9.112 7.674
129 HD2 ARG 17 HD2 ARG 17 -9.975 10.054 9.914
130 HD3 ARG 17 HD3 ARG 17 -11.298 8.945 9.553
131 HE ARG 17 HE ARG 17 -9.290 7.503 10.854
132 HH11 ARG 17 HH11 ARG 17 -11.534 10.095 11.556
133 HH12 ARG 17 HH12 ARG 17 -11.679 9.681 13.235
134 HH21 ARG 17 HH21 ARG 17 -9.478 6.958 13.062
135 HH22 ARG 17 HH22 ARG 17 -10.515 7.896 14.091
136 H SER 18 H SER 18 -7.295 5.141 8.448
137 HA SER 18 HA SER 18 -5.124 6.948 7.699
138 HB2 SER 18 HB2 SER 18 -6.270 7.792 9.786
139 HB3 SER 18 HB3 SER 18 -5.704 6.342 10.589
140 HG SER 18 HG SER 18 -4.274 8.117 10.878
141 H LYS 19 H LYS 19 -3.153 6.235 9.165
142 HA LYS 19 HA LYS 19 -2.416 3.709 8.029
143 HB2 LYS 19 HB2 LYS 19 -0.868 5.582 9.819
144 HB3 LYS 19 HB3 LYS 19 -0.196 4.306 8.811
145 HG2 LYS 19 HG2 LYS 19 -0.427 5.503 6.897
146 HG3 LYS 19 HG3 LYS 19 -1.848 6.370 7.478
147 HD2 LYS 19 HD2 LYS 19 0.863 6.822 8.654
148 HD3 LYS 19 HD3 LYS 19 0.328 7.687 7.213
149 HE2 LYS 19 HE2 LYS 19 -1.611 8.530 8.463
150 HE3 LYS 19 HE3 LYS 19 -1.048 7.677 9.898
151 HZ1 LYS 19 HZ1 LYS 19 0.385 9.839 8.528
152 HZ2 LYS 19 HZ2 LYS 19 0.929 9.040 9.837
153 HZ3 LYS 19 HZ3 LYS 19 -0.400 9.970 9.950
154 H VAL 20 H VAL 20 -4.239 4.135 10.499
155 HA VAL 20 HA VAL 20 -3.013 2.698 12.641
156 HB VAL 20 HB VAL 20 -5.985 2.716 12.211
157 HG11 VAL 20 HG11 VAL 20 -5.114 1.477 14.119
158 HG12 VAL 20 HG12 VAL 20 -6.034 2.886 14.649
159 HG13 VAL 20 HG13 VAL 20 -4.271 2.921 14.684
160 HG21 VAL 20 HG21 VAL 20 -4.329 5.033 13.193
161 HG22 VAL 20 HG22 VAL 20 -6.086 4.923 13.292
162 HG23 VAL 20 HG23 VAL 20 -5.293 4.975 11.719
163 H CYS 21 H CYS 21 -2.634 1.350 10.150
164 HA CYS 21 HA CYS 21 -4.378 -0.759 9.628
165 HB2 CYS 21 HB2 CYS 21 -1.379 -0.757 9.284
166 HB3 CYS 21 HB3 CYS 21 -2.551 -1.702 8.371
167 HA PRO 22 HA PRO 22 -3.597 -3.553 13.067
168 HB2 PRO 22 HB2 PRO 22 -4.847 -5.707 11.974
169 HB3 PRO 22 HB3 PRO 22 -5.726 -4.365 12.714
170 HG2 PRO 22 HG2 PRO 22 -5.190 -4.913 9.823
171 HG3 PRO 22 HG3 PRO 22 -6.680 -4.345 10.599
172 HD2 PRO 22 HD2 PRO 22 -4.981 -2.680 9.306
173 HD3 PRO 22 HD3 PRO 22 -5.945 -2.166 10.704
174 H LYS 23 H LYS 23 -2.921 -6.113 12.955
175 HA LYS 23 HA LYS 23 -0.677 -6.177 11.068
176 HB2 LYS 23 HB2 LYS 23 0.421 -6.061 13.074
177 HB3 LYS 23 HB3 LYS 23 -0.894 -6.810 13.961
178 HG2 LYS 23 HG2 LYS 23 0.716 -8.472 12.086
179 HG3 LYS 23 HG3 LYS 23 1.385 -8.039 13.661
180 HD2 LYS 23 HD2 LYS 23 -0.426 -9.072 14.806
181 HD3 LYS 23 HD3 LYS 23 -1.336 -9.274 13.308
182 HE2 LYS 23 HE2 LYS 23 0.374 -10.839 12.499
183 HE3 LYS 23 HE3 LYS 23 1.267 -10.637 14.005
184 HZ1 LYS 23 HZ1 LYS 23 -1.438 -11.746 13.773
185 HZ2 LYS 23 HZ2 LYS 23 -0.616 -11.565 15.161
186 HZ3 LYS 23 HZ3 LYS 23 -0.084 -12.609 14.036
187 HA PRO 24 HA PRO 24 0.617 -7.268 10.207
188 HB2 PRO 24 HB2 PRO 24 1.350 -8.733 8.107
189 HB3 PRO 24 HB3 PRO 24 1.575 -9.329 9.756
190 HG2 PRO 24 HG2 PRO 24 -0.494 -10.066 7.745
191 HG3 PRO 24 HG3 PRO 24 0.330 -11.083 8.937
192 HD2 PRO 24 HD2 PRO 24 -2.222 -9.958 9.209
193 HD3 PRO 24 HD3 PRO 24 -1.244 -10.659 10.511
194 H PHE 25 H PHE 25 -0.280 -5.354 9.467
195 HA PHE 25 HA PHE 25 -0.913 -5.296 6.612
196 HB2 PHE 25 HB2 PHE 25 -2.625 -4.126 8.809
197 HB3 PHE 25 HB3 PHE 25 -2.712 -3.552 7.149
198 HD1 PHE 25 HD1 PHE 25 -3.069 -6.598 9.245
199 HD2 PHE 25 HD2 PHE 25 -4.066 -4.627 5.608
200 HE1 PHE 25 HE1 PHE 25 -4.677 -8.382 8.720
201 HE2 PHE 25 HE2 PHE 25 -5.666 -6.414 5.077
202 HZ PHE 25 HZ PHE 25 -5.965 -8.288 6.629
203 H ALA 26 H ALA 26 -0.154 -3.506 5.563
204 HA ALA 26 HA ALA 26 1.310 -1.587 7.256
205 HB1 ALA 26 HB1 ALA 26 3.043 -1.446 5.636
206 HB2 ALA 26 HB2 ALA 26 2.117 -2.390 4.472
207 HB3 ALA 26 HB3 ALA 26 2.750 -3.163 5.926
208 H ALA 27 H ALA 27 0.942 0.499 6.964
209 HA ALA 27 HA ALA 27 -1.047 1.553 5.313
210 HB1 ALA 27 HB1 ALA 27 -0.298 2.701 7.299
211 HB2 ALA 27 HB2 ALA 27 -0.027 3.737 5.896
212 HB3 ALA 27 HB3 ALA 27 1.323 2.873 6.630
213 H PHE 28 H PHE 28 -0.856 1.078 3.173
214 HA PHE 28 HA PHE 28 1.692 1.611 1.849
215 HB2 PHE 28 HB2 PHE 28 -0.334 -0.379 1.558
216 HB3 PHE 28 HB3 PHE 28 -0.241 0.519 0.058
217 HD1 PHE 28 HD1 PHE 28 2.512 1.131 -0.320
218 HD2 PHE 28 HD2 PHE 28 0.752 -2.365 1.341
219 HE1 PHE 28 HE1 PHE 28 4.494 -0.169 -0.953
220 HE2 PHE 28 HE2 PHE 28 2.729 -3.674 0.706
221 HZ PHE 28 HZ PHE 28 4.608 -2.573 -0.446
222 H GLY 29 H GLY 29 1.586 3.822 1.864
223 HA2 GLY 29 HA2 GLY 29 1.060 5.919 1.107
224 HA3 GLY 29 HA3 GLY 29 0.706 5.095 -0.400
225 H THR 30 H THR 30 -1.033 6.107 -1.090
226 HA THR 30 HA THR 30 -3.466 5.872 0.520
227 HB THR 30 HB THR 30 -4.191 8.121 -0.200
228 HG1 THR 30 HG1 THR 30 -2.430 7.977 -2.007
229 HG21 THR 30 HG21 THR 30 -2.624 9.458 1.197
230 HG22 THR 30 HG22 THR 30 -1.542 8.065 1.253
231 HG23 THR 30 HG23 THR 30 -3.150 7.966 1.976
232 H CYS 31 H CYS 31 -5.219 5.261 -0.682
233 HA CYS 31 HA CYS 31 -4.620 4.399 -3.382
234 HB2 CYS 31 HB2 CYS 31 -6.862 3.268 -3.191
235 HB3 CYS 31 HB3 CYS 31 -5.640 2.742 -2.040
236 H SER 32 H SER 32 -7.533 5.892 -1.995
237 HA SER 32 HA SER 32 -8.039 7.034 -4.632
238 HB2 SER 32 HB2 SER 32 -10.325 7.474 -3.419
239 HB3 SER 32 HB3 SER 32 -9.896 5.840 -3.938
240 HG SER 32 HG SER 32 -10.102 5.293 -1.931
241 H TRP 33 H TRP 33 -8.957 8.189 -1.421
242 HA TRP 33 HA TRP 33 -7.908 10.831 -2.097
243 HB2 TRP 33 HB2 TRP 33 -9.213 10.236 0.532
244 HB3 TRP 33 HB3 TRP 33 -9.272 11.704 -0.433
245 HD1 TRP 33 HD1 TRP 33 -11.595 9.394 0.763
246 HE1 TRP 33 HE1 TRP 33 -13.575 8.971 -0.804
247 HE3 TRP 33 HE3 TRP 33 -9.629 11.281 -3.569
248 HZ2 TRP 33 HZ2 TRP 33 -14.222 9.354 -3.496
249 HZ3 TRP 33 HZ3 TRP 33 -11.015 11.208 -5.604
250 HH2 TRP 33 HH2 TRP 33 -13.256 10.273 -5.567
251 H ARG 34 H ARG 34 -6.249 11.802 -0.866
252 HA ARG 34 HA ARG 34 -4.334 10.117 0.354
253 HB2 ARG 34 HB2 ARG 34 -3.786 12.321 -0.615
254 HB3 ARG 34 HB3 ARG 34 -4.722 13.107 0.644
255 HG2 ARG 34 HG2 ARG 34 -2.440 11.334 1.365
256 HG3 ARG 34 HG3 ARG 34 -2.147 12.977 0.829
257 HD2 ARG 34 HD2 ARG 34 -3.742 12.072 3.215
258 HD3 ARG 34 HD3 ARG 34 -2.228 12.973 3.221
259 HE ARG 34 HE ARG 34 -3.899 14.602 1.860
260 HH11 ARG 34 HH11 ARG 34 -4.068 13.020 4.975
261 HH12 ARG 34 HH12 ARG 34 -5.145 14.197 5.659
262 HH21 ARG 34 HH21 ARG 34 -5.311 16.156 2.748
263 HH22 ARG 34 HH22 ARG 34 -5.851 15.989 4.389
264 H GLN 35 H GLN 35 -7.072 11.835 1.435
265 HA GLN 35 HA GLN 35 -6.863 11.939 4.167
266 HB2 GLN 35 HB2 GLN 35 -9.356 11.134 2.671
267 HB3 GLN 35 HB3 GLN 35 -9.269 11.913 4.242
268 HG2 GLN 35 HG2 GLN 35 -8.169 13.849 3.104
269 HG3 GLN 35 HG3 GLN 35 -8.559 13.077 1.573
270 HE21 GLN 35 HE21 GLN 35 -11.089 12.011 2.631
271 HE22 GLN 35 HE22 GLN 35 -12.175 13.355 2.676
272 H LYS 36 H LYS 36 -7.160 9.132 2.195
273 HA LYS 36 HA LYS 36 -7.353 7.488 4.628
274 HB2 LYS 36 HB2 LYS 36 -8.488 5.757 3.139
275 HB3 LYS 36 HB3 LYS 36 -9.443 7.129 3.672
276 HG2 LYS 36 HG2 LYS 36 -8.540 8.073 1.319
277 HG3 LYS 36 HG3 LYS 36 -8.578 6.345 0.969
278 HD2 LYS 36 HD2 LYS 36 -10.886 7.919 2.101
279 HD3 LYS 36 HD3 LYS 36 -10.680 7.534 0.395
280 HE2 LYS 36 HE2 LYS 36 -12.200 5.972 1.289
281 HE3 LYS 36 HE3 LYS 36 -10.694 5.108 1.037
282 HZ1 LYS 36 HZ1 LYS 36 -11.635 4.539 3.138
283 HZ2 LYS 36 HZ2 LYS 36 -11.749 6.092 3.596
284 HZ3 LYS 36 HZ3 LYS 36 -10.288 5.406 3.422
285 H THR 37 H THR 37 -6.308 5.503 4.618
286 HA THR 37 HA THR 37 -3.907 5.479 2.923
287 HB THR 37 HB THR 37 -4.422 4.073 5.559
288 HG1 THR 37 HG1 THR 37 -3.775 6.670 4.977
289 HG21 THR 37 HG21 THR 37 -1.828 4.626 4.108
290 HG22 THR 37 HG22 THR 37 -2.645 3.064 4.171
291 HG23 THR 37 HG23 THR 37 -2.009 3.786 5.649
292 H CYS 38 H CYS 38 -3.210 3.503 1.943
293 HA CYS 38 HA CYS 38 -5.359 1.537 1.596
294 HB2 CYS 38 HB2 CYS 38 -4.137 2.604 -0.378
295 HB3 CYS 38 HB3 CYS 38 -2.731 1.672 0.112
296 H CYS 39 H CYS 39 -5.291 -0.222 2.883
297 HA CYS 39 HA CYS 39 -2.671 -0.973 4.007
298 HB2 CYS 39 HB2 CYS 39 -5.404 -1.116 5.280
299 HB3 CYS 39 HB3 CYS 39 -3.935 -1.770 5.997
300 H VAL 40 H VAL 40 -1.966 -2.784 3.129
301 HA VAL 40 HA VAL 40 -3.927 -4.855 2.406
302 HB VAL 40 HB VAL 40 -2.367 -3.979 0.629
303 HG11 VAL 40 HG11 VAL 40 -0.087 -4.735 0.569
304 HG12 VAL 40 HG12 VAL 40 -0.287 -5.569 2.110
305 HG13 VAL 40 HG13 VAL 40 -0.369 -3.810 2.044
306 HG21 VAL 40 HG21 VAL 40 -3.535 -6.072 0.333
307 HG22 VAL 40 HG22 VAL 40 -2.297 -6.928 1.253
308 HG23 VAL 40 HG23 VAL 40 -1.899 -6.211 -0.313
309 H ASP 41 H ASP 41 -3.588 -6.997 2.971
310 HA ASP 41 HA ASP 41 -2.394 -7.542 5.477
311 HB2 ASP 41 HB2 ASP 41 -4.245 -8.869 4.737
312 HB3 ASP 41 HB3 ASP 41 -3.410 -9.303 3.257
313 H THR 42 H THR 42 -0.304 -6.973 5.470
314 HA THR 42 HA THR 42 1.429 -7.667 3.272
315 HB THR 42 HB THR 42 3.137 -6.434 4.769
316 HG1 THR 42 HG1 THR 42 1.722 -6.671 6.668
317 HG21 THR 42 HG21 THR 42 1.984 -5.446 2.792
318 HG22 THR 42 HG22 THR 42 2.359 -4.273 4.048
319 HG23 THR 42 HG23 THR 42 0.711 -4.871 3.870
320 H THR 43 H THR 43 1.391 -9.993 3.555
321 HA THR 43 HA THR 43 3.234 -10.826 5.689
322 HB THR 43 HB THR 43 1.420 -12.161 6.096
323 HG1 THR 43 HG1 THR 43 2.734 -13.804 5.866
324 HG21 THR 43 HG21 THR 43 0.876 -12.096 3.141
325 HG22 THR 43 HG22 THR 43 -0.116 -11.483 4.459
326 HG23 THR 43 HG23 THR 43 0.056 -13.220 4.219
327 H SER 44 H SER 44 2.432 -12.415 2.604
328 HA SER 44 HA SER 44 5.211 -12.205 1.766
329 HB2 SER 44 HB2 SER 44 3.925 -14.382 1.634
330 HB3 SER 44 HB3 SER 44 2.955 -13.633 0.370
331 HG SER 44 HG SER 44 5.750 -14.124 0.348
332 H ASP 45 H ASP 45 1.951 -11.329 0.795
333 HA ASP 45 HA ASP 45 2.469 -10.302 -1.756
334 HB2 ASP 45 HB2 ASP 45 0.273 -9.398 0.112
335 HB3 ASP 45 HB3 ASP 45 0.262 -9.348 -1.646
336 H PHE 46 H PHE 46 3.255 -9.055 1.246
337 HA PHE 46 HA PHE 46 2.688 -6.362 1.108
338 HB2 PHE 46 HB2 PHE 46 4.112 -6.092 2.939
339 HB3 PHE 46 HB3 PHE 46 3.438 -7.710 3.059
340 HD1 PHE 46 HD1 PHE 46 6.404 -5.846 3.115
341 HD2 PHE 46 HD2 PHE 46 4.757 -9.573 2.040
342 HE1 PHE 46 HE1 PHE 46 8.650 -6.851 3.248
343 HE2 PHE 46 HE2 PHE 46 6.965 -10.626 2.165
344 HZ PHE 46 HZ PHE 46 8.943 -9.259 2.769
345 H HIS 47 H HIS 47 5.022 -8.077 -0.612
346 HA HIS 47 HA HIS 47 7.027 -6.166 -0.976
347 HB2 HIS 47 HB2 HIS 47 6.092 -8.460 -2.647
348 HB3 HIS 47 HB3 HIS 47 7.371 -7.396 -3.221
349 HD1 HIS 47 HD1 HIS 47 9.444 -7.157 -1.410
350 HD2 HIS 47 HD2 HIS 47 7.003 -10.514 -1.140
351 HE1 HIS 47 HE1 HIS 47 10.708 -8.800 0.009
352 HE2 HIS 47 HE2 HIS 47 9.261 -10.864 0.074
353 H THR 48 H THR 48 3.895 -5.735 -1.733
354 HA THR 48 HA THR 48 3.535 -4.810 -4.277
355 HB THR 48 HB THR 48 2.379 -3.551 -1.819
356 HG1 THR 48 HG1 THR 48 2.296 -6.121 -2.586
357 HG21 THR 48 HG21 THR 48 1.234 -3.991 -4.574
358 HG22 THR 48 HG22 THR 48 1.715 -2.444 -3.873
359 HG23 THR 48 HG23 THR 48 0.349 -3.333 -3.197
360 H CYS 49 H CYS 49 5.812 -3.432 -2.284
361 HA CYS 49 HA CYS 49 5.620 -0.728 -2.329
362 HB2 CYS 49 HB2 CYS 49 7.512 -2.120 -1.412
363 HB3 CYS 49 HB3 CYS 49 8.165 -2.178 -3.047
364 H GLN 50 H GLN 50 7.211 -2.536 -5.006
365 HA GLN 50 HA GLN 50 7.564 -0.237 -6.586
366 HB2 GLN 50 HB2 GLN 50 8.183 -1.745 -8.390
367 HB3 GLN 50 HB3 GLN 50 8.963 -2.197 -6.891
368 HG2 GLN 50 HG2 GLN 50 6.542 -3.557 -8.064
369 HG3 GLN 50 HG3 GLN 50 8.203 -4.125 -8.215
370 HE21 GLN 50 HE21 GLN 50 5.423 -3.958 -6.240
371 HE22 GLN 50 HE22 GLN 50 6.066 -4.799 -4.855
372 H ASP 51 H ASP 51 4.770 -2.159 -6.097
373 HA ASP 51 HA ASP 51 3.447 -1.494 -8.550
374 HB2 ASP 51 HB2 ASP 51 2.395 -2.404 -5.865
375 HB3 ASP 51 HB3 ASP 51 1.355 -2.095 -7.247
376 H LYS 52 H LYS 52 3.797 -0.095 -5.396
377 HA LYS 52 HA LYS 52 1.884 2.026 -5.829
378 HB2 LYS 52 HB2 LYS 52 3.874 1.422 -3.656
379 HB3 LYS 52 HB3 LYS 52 2.857 2.853 -3.642
380 HG2 LYS 52 HG2 LYS 52 1.736 0.083 -3.829
381 HG3 LYS 52 HG3 LYS 52 2.098 0.859 -2.291
382 HD2 LYS 52 HD2 LYS 52 0.204 1.890 -4.408
383 HD3 LYS 52 HD3 LYS 52 -0.262 1.126 -2.890
384 HE2 LYS 52 HE2 LYS 52 -0.469 3.320 -2.288
385 HE3 LYS 52 HE3 LYS 52 1.222 3.063 -1.867
386 HZ1 LYS 52 HZ1 LYS 52 0.223 4.317 -4.328
387 HZ2 LYS 52 HZ2 LYS 52 1.788 4.019 -4.027
388 HZ3 LYS 52 HZ3 LYS 52 0.979 5.072 -3.101
389 H GLY 53 H GLY 53 5.091 1.427 -6.646
390 HA2 GLY 53 HA2 GLY 53 6.325 2.978 -8.017
391 HA3 GLY 53 HA3 GLY 53 5.569 4.296 -7.127
392 H GLY 54 H GLY 54 6.798 1.460 -5.542
393 HA2 GLY 54 HA2 GLY 54 8.343 2.816 -3.677
394 HA3 GLY 54 HA3 GLY 54 8.533 1.116 -4.088
395 H HIS 55 H HIS 55 10.187 3.823 -3.754
396 HA HIS 55 HA HIS 55 11.818 3.589 -6.178
397 HB2 HIS 55 HB2 HIS 55 11.760 5.675 -3.994
398 HB3 HIS 55 HB3 HIS 55 12.886 5.695 -5.344
399 HD1 HIS 55 HD1 HIS 55 11.883 6.224 -7.711
400 HD2 HIS 55 HD2 HIS 55 9.208 6.552 -4.548
401 HE1 HIS 55 HE1 HIS 55 9.910 7.499 -8.619
402 HE2 HIS 55 HE2 HIS 55 8.251 7.586 -6.715
403 H CYS 56 H CYS 56 14.223 3.952 -5.789
404 HA CYS 56 HA CYS 56 15.106 2.414 -3.451
405 HB2 CYS 56 HB2 CYS 56 15.942 2.075 -6.333
406 HB3 CYS 56 HB3 CYS 56 16.872 1.427 -4.984
407 H VAL 57 H VAL 57 16.383 3.617 -2.254
408 HA VAL 57 HA VAL 57 18.139 5.549 -3.604
409 HB VAL 57 HB VAL 57 17.750 7.185 -1.878
410 HG11 VAL 57 HG11 VAL 57 15.145 6.149 -2.954
411 HG12 VAL 57 HG12 VAL 57 16.270 7.217 -3.793
412 HG13 VAL 57 HG13 VAL 57 15.437 7.777 -2.342
413 HG21 VAL 57 HG21 VAL 57 15.853 5.192 -0.652
414 HG22 VAL 57 HG22 VAL 57 16.029 6.871 -0.145
415 HG23 VAL 57 HG23 VAL 57 17.380 5.753 0.031
416 H SER 58 H SER 58 20.136 5.791 -2.794
417 HA SER 58 HA SER 58 21.208 3.654 -1.243
418 HB2 SER 58 HB2 SER 58 23.327 4.608 -1.788
419 HB3 SER 58 HB3 SER 58 22.312 4.939 -3.184
420 HG SER 58 HG SER 58 23.167 6.871 -2.778
421 HA PRO 59 HA PRO 59 21.233 5.486 2.813
422 HB2 PRO 59 HB2 PRO 59 23.810 5.081 3.657
423 HB3 PRO 59 HB3 PRO 59 22.566 3.828 3.638
424 HG2 PRO 59 HG2 PRO 59 24.751 4.359 1.669
425 HG3 PRO 59 HG3 PRO 59 24.154 2.809 2.291
426 HD2 PRO 59 HD2 PRO 59 23.467 3.745 -0.138
427 HD3 PRO 59 HD3 PRO 59 22.351 2.785 0.847
428 H LYS 60 H LYS 60 22.991 6.781 0.285
429 HA LYS 60 HA LYS 60 23.947 9.080 1.841
430 HB2 LYS 60 HB2 LYS 60 24.416 8.380 -1.064
431 HB3 LYS 60 HB3 LYS 60 25.143 9.726 -0.203
432 HG2 LYS 60 HG2 LYS 60 25.579 6.819 0.446
433 HG3 LYS 60 HG3 LYS 60 26.673 7.828 -0.498
434 HD2 LYS 60 HD2 LYS 60 26.868 9.340 1.475
435 HD3 LYS 60 HD3 LYS 60 25.921 8.172 2.400
436 HE2 LYS 60 HE2 LYS 60 27.615 6.454 1.938
437 HE3 LYS 60 HE3 LYS 60 28.566 7.642 1.047
438 HZ1 LYS 60 HZ1 LYS 60 28.745 8.900 3.094
439 HZ2 LYS 60 HZ2 LYS 60 29.373 7.412 3.269
440 HZ3 LYS 60 HZ3 LYS 60 27.917 7.755 3.905
441 H ILE 61 H ILE 61 21.331 8.070 -0.042
442 HA ILE 61 HA ILE 61 20.748 10.615 -1.280
443 HB ILE 61 HB ILE 61 19.061 8.121 -1.042
444 HG12 ILE 61 HG12 ILE 61 21.186 7.891 -2.322
445 HG13 ILE 61 HG13 ILE 61 19.741 7.595 -3.280
446 HG21 ILE 61 HG21 ILE 61 17.699 9.076 -2.838
447 HG22 ILE 61 HG22 ILE 61 18.669 10.546 -2.788
448 HG23 ILE 61 HG23 ILE 61 17.684 10.096 -1.398
449 HD11 ILE 61 HD11 ILE 61 21.421 10.087 -3.290
450 HD12 ILE 61 HD12 ILE 61 19.941 9.849 -4.217
451 HD13 ILE 61 HD13 ILE 61 21.354 8.848 -4.544
452 H ARG 62 H ARG 62 19.320 12.110 -0.608
453 HA ARG 62 HA ARG 62 18.234 11.748 2.083
454 HB2 ARG 62 HB2 ARG 62 18.646 14.218 0.398
455 HB3 ARG 62 HB3 ARG 62 17.726 14.237 1.896
456 HG2 ARG 62 HG2 ARG 62 19.865 14.961 2.490
457 HG3 ARG 62 HG3 ARG 62 19.797 13.274 3.000
458 HD2 ARG 62 HD2 ARG 62 21.923 13.726 1.939
459 HD3 ARG 62 HD3 ARG 62 20.975 12.624 0.940
460 HE ARG 62 HE ARG 62 20.630 15.368 0.197
461 HH11 ARG 62 HH11 ARG 62 22.687 12.556 -0.204
462 HH12 ARG 62 HH12 ARG 62 23.351 13.115 -1.709
463 HH21 ARG 62 HH21 ARG 62 21.507 16.085 -1.783
464 HH22 ARG 62 HH22 ARG 62 22.687 15.110 -2.602
465 H CYS 63 H CYS 63 16.546 10.444 1.650
466 HA CYS 63 HA CYS 63 14.266 11.674 0.267
467 HB2 CYS 63 HB2 CYS 63 15.319 10.002 -1.233
468 HB3 CYS 63 HB3 CYS 63 15.118 8.783 0.017
469 H LEU 64 H LEU 64 12.208 11.040 1.104
470 HA LEU 64 HA LEU 64 12.237 10.166 3.837
471 HB2 LEU 64 HB2 LEU 64 9.993 10.606 1.886
472 HB3 LEU 64 HB3 LEU 64 9.757 10.174 3.570
473 HG LEU 64 HG LEU 64 10.948 12.724 2.490
474 HD11 LEU 64 HD11 LEU 64 9.069 13.740 3.657
475 HD12 LEU 64 HD12 LEU 64 8.512 12.140 4.141
476 HD13 LEU 64 HD13 LEU 64 8.531 12.588 2.437
477 HD21 LEU 64 HD21 LEU 64 10.731 11.791 5.352
478 HD22 LEU 64 HD22 LEU 64 11.169 13.419 4.839
479 HD23 LEU 64 HD23 LEU 64 12.222 12.061 4.451
480 H GLU 65 H GLU 65 13.264 8.205 3.704
481 HA GLU 65 HA GLU 65 12.411 6.217 1.816
482 HB2 GLU 65 HB2 GLU 65 14.239 4.863 2.677
483 HB3 GLU 65 HB3 GLU 65 14.785 6.495 2.326
484 HG2 GLU 65 HG2 GLU 65 13.993 5.682 5.098
485 HG3 GLU 65 HG3 GLU 65 15.605 5.359 4.470
486 H GLU 66 H GLU 66 12.224 3.938 2.548
487 HA GLU 66 HA GLU 66 11.472 2.241 3.839
488 HB2 GLU 66 HB2 GLU 66 10.676 4.325 5.870
489 HB3 GLU 66 HB3 GLU 66 10.521 2.586 6.087
490 HG2 GLU 66 HG2 GLU 66 13.113 2.741 5.417
491 HG3 GLU 66 HG3 GLU 66 12.900 4.309 6.189
492 H GLN 67 H GLN 67 10.160 2.259 1.923
493 HA GLN 67 HA GLN 67 7.339 2.792 2.489
494 HB2 GLN 67 HB2 GLN 67 8.249 3.426 0.272
495 HB3 GLN 67 HB3 GLN 67 8.632 1.736 -0.030
496 HG2 GLN 67 HG2 GLN 67 6.306 1.148 -0.002
497 HG3 GLN 67 HG3 GLN 67 5.859 2.779 0.492
498 HE21 GLN 67 HE21 GLN 67 5.072 1.221 -1.856
499 HE22 GLN 67 HE22 GLN 67 5.521 2.176 -3.224
500 H LEU 68 H LEU 68 9.039 0.069 0.927
501 HA LEU 68 HA LEU 68 8.619 -1.749 3.018
502 HB2 LEU 68 HB2 LEU 68 6.236 -1.389 2.068
503 HB3 LEU 68 HB3 LEU 68 6.794 -2.352 0.706
504 HG LEU 68 HG LEU 68 6.951 -4.296 1.960
505 HD11 LEU 68 HD11 LEU 68 6.910 -4.306 4.460
506 HD12 LEU 68 HD12 LEU 68 7.025 -2.548 4.425
507 HD13 LEU 68 HD13 LEU 68 8.336 -3.532 3.774
508 HD21 LEU 68 HD21 LEU 68 4.884 -4.374 3.393
509 HD22 LEU 68 HD22 LEU 68 4.645 -3.801 1.744
510 HD23 LEU 68 HD23 LEU 68 4.692 -2.649 3.081
511 H GLY 69 H GLY 69 10.006 -3.399 2.764
512 HA2 GLY 69 HA2 GLY 69 10.889 -5.244 1.583
513 HA3 GLY 69 HA3 GLY 69 10.478 -4.443 0.075
514 H LEU 70 H LEU 70 12.894 -5.651 0.399
515 HA LEU 70 HA LEU 70 14.796 -3.473 0.861
516 HB2 LEU 70 HB2 LEU 70 15.266 -5.573 2.023
517 HB3 LEU 70 HB3 LEU 70 15.241 -6.439 0.499
518 HG LEU 70 HG LEU 70 17.236 -5.217 -0.242
519 HD11 LEU 70 HD11 LEU 70 18.491 -3.845 1.371
520 HD12 LEU 70 HD12 LEU 70 17.140 -3.964 2.499
521 HD13 LEU 70 HD13 LEU 70 16.930 -3.139 0.955
522 HD21 LEU 70 HD21 LEU 70 18.829 -6.254 1.306
523 HD22 LEU 70 HD22 LEU 70 17.508 -7.344 0.887
524 HD23 LEU 70 HD23 LEU 70 17.519 -6.535 2.453
525 H CYS 71 H CYS 71 15.705 -2.479 -0.764
526 HA CYS 71 HA CYS 71 14.983 -3.001 -3.448
527 HB2 CYS 71 HB2 CYS 71 16.804 -1.074 -2.067
528 HB3 CYS 71 HB3 CYS 71 16.874 -1.226 -3.820
529 HA PRO 72 HA PRO 72 17.960 -5.621 -5.428
530 HB2 PRO 72 HB2 PRO 72 19.382 -3.476 -6.748
531 HB3 PRO 72 HB3 PRO 72 18.282 -4.670 -7.448
532 HG2 PRO 72 HG2 PRO 72 17.749 -1.900 -6.606
533 HG3 PRO 72 HG3 PRO 72 16.851 -2.927 -7.735
534 HD2 PRO 72 HD2 PRO 72 15.870 -2.286 -5.318
535 HD3 PRO 72 HD3 PRO 72 15.580 -3.881 -6.048
536 H LEU 73 H LEU 73 19.534 -2.520 -4.541
537 HA LEU 73 HA LEU 73 21.900 -3.904 -3.669
538 HB2 LEU 73 HB2 LEU 73 21.110 -1.022 -3.276
539 HB3 LEU 73 HB3 LEU 73 22.650 -1.707 -2.826
540 HG LEU 73 HG LEU 73 23.152 -0.663 -4.773
541 HD11 LEU 73 HD11 LEU 73 23.590 -2.313 -6.445
542 HD12 LEU 73 HD12 LEU 73 22.356 -3.377 -5.772
543 HD13 LEU 73 HD13 LEU 73 23.813 -3.021 -4.845
544 HD21 LEU 73 HD21 LEU 73 21.019 0.113 -5.454
545 HD22 LEU 73 HD22 LEU 73 20.484 -1.522 -5.855
546 HD23 LEU 73 HD23 LEU 73 21.732 -0.739 -6.824
547 H LYS 74 H LYS 74 22.606 -4.142 -1.592
548 HA LYS 74 HA LYS 74 20.402 -4.777 0.174
549 HB2 LYS 74 HB2 LYS 74 23.368 -5.230 0.546
550 HB3 LYS 74 HB3 LYS 74 22.087 -5.923 1.533
551 HG2 LYS 74 HG2 LYS 74 22.509 -6.446 -1.404
552 HG3 LYS 74 HG3 LYS 74 22.967 -7.526 -0.086
553 HD2 LYS 74 HD2 LYS 74 20.649 -7.784 0.559
554 HD3 LYS 74 HD3 LYS 74 20.151 -6.605 -0.656
555 HE2 LYS 74 HE2 LYS 74 20.919 -8.068 -2.427
556 HE3 LYS 74 HE3 LYS 74 21.506 -9.231 -1.242
557 HZ1 LYS 74 HZ1 LYS 74 19.362 -9.835 -2.136
558 HZ2 LYS 74 HZ2 LYS 74 18.701 -8.457 -1.590
559 HZ3 LYS 74 HZ3 LYS 74 19.254 -9.561 -0.537
560 H ARG 75 H ARG 75 22.593 -2.232 -0.194
561 HA ARG 75 HA ARG 75 22.373 -1.368 2.587
562 HB2 ARG 75 HB2 ARG 75 23.957 -0.342 0.240
563 HB3 ARG 75 HB3 ARG 75 23.904 0.475 1.798
564 HG2 ARG 75 HG2 ARG 75 24.944 -1.354 2.888
565 HG3 ARG 75 HG3 ARG 75 24.764 -2.383 1.466
566 HD2 ARG 75 HD2 ARG 75 26.399 0.139 1.532
567 HD3 ARG 75 HD3 ARG 75 27.059 -1.472 1.811
568 HE ARG 75 HE ARG 75 25.601 -1.224 -0.670
569 HH11 ARG 75 HH11 ARG 75 28.707 -0.821 0.904
570 HH12 ARG 75 HH12 ARG 75 29.620 -0.993 -0.559
571 HH21 ARG 75 HH21 ARG 75 26.807 -1.469 -2.605
572 HH22 ARG 75 HH22 ARG 75 28.538 -1.367 -2.559
573 H TRP 76 H TRP 76 20.484 -1.175 -0.049
574 HA TRP 76 HA TRP 76 19.788 1.655 0.282
575 HB2 TRP 76 HB2 TRP 76 19.094 -0.323 -1.893
576 HB3 TRP 76 HB3 TRP 76 18.488 1.330 -1.828
577 HD1 TRP 76 HD1 TRP 76 22.137 0.260 -1.152
578 HE1 TRP 76 HE1 TRP 76 23.642 1.403 -2.877
579 HE3 TRP 76 HE3 TRP 76 18.549 2.540 -3.987
580 HZ2 TRP 76 HZ2 TRP 76 23.356 3.027 -5.140
581 HZ3 TRP 76 HZ3 TRP 76 19.254 3.894 -5.903
582 HH2 TRP 76 HH2 TRP 76 21.611 4.145 -6.461
583 H THR 77 H THR 77 17.622 2.281 0.486
584 HA THR 77 HA THR 77 15.861 0.206 1.616
585 HB THR 77 HB THR 77 15.869 3.162 2.265
586 HG1 THR 77 HG1 THR 77 17.280 0.998 3.320
587 HG21 THR 77 HG21 THR 77 14.476 0.836 3.592
588 HG22 THR 77 HG22 THR 77 13.705 2.060 2.583
589 HG23 THR 77 HG23 THR 77 14.428 2.514 4.125
590 H CYS 78 H CYS 78 13.819 0.039 0.764
591 HA CYS 78 HA CYS 78 13.172 1.441 -1.622
592 HB2 CYS 78 HB2 CYS 78 12.275 -0.818 -1.164
593 HB3 CYS 78 HB3 CYS 78 11.359 -0.171 0.194
594 H CYS 79 H CYS 79 12.218 3.360 -1.844
595 HA CYS 79 HA CYS 79 11.390 4.683 0.649
596 HB2 CYS 79 HB2 CYS 79 13.365 5.705 -0.010
597 HB3 CYS 79 HB3 CYS 79 12.937 5.683 -1.726
598 H LYS 80 H LYS 80 9.595 5.925 0.705
599 HA LYS 80 HA LYS 80 7.662 5.406 -1.401
600 HB2 LYS 80 HB2 LYS 80 7.257 5.189 1.131
601 HB3 LYS 80 HB3 LYS 80 7.190 6.944 1.141
602 HG2 LYS 80 HG2 LYS 80 5.354 6.824 -0.523
603 HG3 LYS 80 HG3 LYS 80 5.381 5.068 -0.354
604 HD2 LYS 80 HD2 LYS 80 4.845 7.038 1.868
605 HD3 LYS 80 HD3 LYS 80 3.624 6.099 1.013
606 HE2 LYS 80 HE2 LYS 80 3.937 4.849 2.930
607 HE3 LYS 80 HE3 LYS 80 5.019 4.054 1.793
608 HZ1 LYS 80 HZ1 LYS 80 6.837 5.292 2.771
609 HZ2 LYS 80 HZ2 LYS 80 6.082 4.408 3.904
610 HZ3 LYS 80 HZ3 LYS 80 5.828 6.010 3.825
611 H GLU 81 H GLU 81 8.206 6.696 -3.049
612 HA GLU 81 HA GLU 81 8.408 8.499 -4.361
613 HB2 GLU 81 HB2 GLU 81 6.571 9.500 -2.255
614 HB3 GLU 81 HB3 GLU 81 7.235 10.653 -3.407
615 HG2 GLU 81 HG2 GLU 81 5.623 8.192 -4.045
616 HG3 GLU 81 HG3 GLU 81 5.119 9.873 -4.196
617 H ILE 82 H ILE 82 10.219 9.398 -4.759
618 HA ILE 82 HA ILE 82 11.905 10.501 -2.693
619 HB ILE 82 HB ILE 82 12.320 10.446 -5.692
620 HG12 ILE 82 HG12 ILE 82 13.426 8.635 -3.533
621 HG13 ILE 82 HG13 ILE 82 12.162 8.196 -4.677
622 HG21 ILE 82 HG21 ILE 82 14.676 10.885 -5.153
623 HG22 ILE 82 HG22 ILE 82 14.252 11.030 -3.447
624 HG23 ILE 82 HG23 ILE 82 13.626 12.194 -4.615
625 HD11 ILE 82 HD11 ILE 82 14.989 8.931 -5.400
626 HD12 ILE 82 HD12 ILE 82 13.723 8.420 -6.517
627 HD13 ILE 82 HD13 ILE 82 14.339 7.294 -5.307
Start of MODEL 7
1 H1 LEU 1 H1 LEU 1 -19.131 2.783 -4.229
2 H2 LEU 1 H2 LEU 1 -19.636 3.840 -3.104
3 H3 LEU 1 H3 LEU 1 -19.438 2.276 -2.714
4 HA LEU 1 HA LEU 1 -17.649 3.593 -1.851
5 HB2 LEU 1 HB2 LEU 1 -17.017 1.644 -4.059
6 HB3 LEU 1 HB3 LEU 1 -15.772 2.333 -3.040
7 HG LEU 1 HG LEU 1 -18.087 0.697 -2.053
8 HD11 LEU 1 HD11 LEU 1 -16.610 -0.647 -3.443
9 HD12 LEU 1 HD12 LEU 1 -16.456 -1.100 -1.746
10 HD13 LEU 1 HD13 LEU 1 -15.219 -0.099 -2.509
11 HD21 LEU 1 HD21 LEU 1 -16.786 0.571 0.024
12 HD22 LEU 1 HD22 LEU 1 -17.225 2.228 -0.379
13 HD23 LEU 1 HD23 LEU 1 -15.586 1.656 -0.677
14 HA PRO 2 HA PRO 2 -15.802 6.880 -4.294
15 HB2 PRO 2 HB2 PRO 2 -13.133 5.749 -3.627
16 HB3 PRO 2 HB3 PRO 2 -13.775 7.369 -3.333
17 HG2 PRO 2 HG2 PRO 2 -13.498 5.662 -1.326
18 HG3 PRO 2 HG3 PRO 2 -14.944 6.701 -1.432
19 HD2 PRO 2 HD2 PRO 2 -14.628 3.807 -2.180
20 HD3 PRO 2 HD3 PRO 2 -15.943 4.587 -1.278
21 H ARG 3 H ARG 3 -13.301 6.772 -5.657
22 HA ARG 3 HA ARG 3 -14.184 5.374 -8.014
23 HB2 ARG 3 HB2 ARG 3 -13.129 7.605 -8.145
24 HB3 ARG 3 HB3 ARG 3 -11.632 6.922 -7.525
25 HG2 ARG 3 HG2 ARG 3 -11.901 5.307 -9.582
26 HG3 ARG 3 HG3 ARG 3 -12.883 6.633 -10.206
27 HD2 ARG 3 HD2 ARG 3 -10.026 6.812 -9.267
28 HD3 ARG 3 HD3 ARG 3 -10.571 6.834 -10.940
29 HE ARG 3 HE ARG 3 -11.717 8.962 -10.372
30 HH11 ARG 3 HH11 ARG 3 -9.073 7.857 -8.344
31 HH12 ARG 3 HH12 ARG 3 -8.573 9.469 -7.921
32 HH21 ARG 3 HH21 ARG 3 -11.068 11.067 -9.802
33 HH22 ARG 3 HH22 ARG 3 -9.706 11.296 -8.749
34 H ASP 4 H ASP 4 -11.480 5.087 -5.749
35 HA ASP 4 HA ASP 4 -10.451 2.826 -7.337
36 HB2 ASP 4 HB2 ASP 4 -8.971 4.757 -5.556
37 HB3 ASP 4 HB3 ASP 4 -8.239 3.413 -6.421
38 H THR 5 H THR 5 -12.315 2.934 -4.822
39 HA THR 5 HA THR 5 -10.651 1.658 -2.839
40 HB THR 5 HB THR 5 -13.636 2.119 -2.864
41 HG1 THR 5 HG1 THR 5 -11.534 3.470 -1.482
42 HG21 THR 5 HG21 THR 5 -13.079 0.282 -1.383
43 HG22 THR 5 HG22 THR 5 -13.462 1.711 -0.425
44 HG23 THR 5 HG23 THR 5 -11.782 1.224 -0.654
45 H SER 6 H SER 6 -13.297 0.664 -4.984
46 HA SER 6 HA SER 6 -13.196 -2.081 -4.240
47 HB2 SER 6 HB2 SER 6 -15.156 -1.016 -5.312
48 HB3 SER 6 HB3 SER 6 -14.229 -0.841 -6.798
49 HG SER 6 HG SER 6 -15.214 -3.171 -5.563
50 H ARG 7 H ARG 7 -11.399 -0.039 -6.298
51 HA ARG 7 HA ARG 7 -10.052 -2.045 -7.817
52 HB2 ARG 7 HB2 ARG 7 -10.020 0.087 -8.783
53 HB3 ARG 7 HB3 ARG 7 -9.656 0.876 -7.258
54 HG2 ARG 7 HG2 ARG 7 -7.419 -0.579 -7.559
55 HG3 ARG 7 HG3 ARG 7 -7.846 -0.317 -9.251
56 HD2 ARG 7 HD2 ARG 7 -7.948 2.080 -8.865
57 HD3 ARG 7 HD3 ARG 7 -7.597 1.829 -7.154
58 HE ARG 7 HE ARG 7 -5.524 0.676 -8.571
59 HH11 ARG 7 HH11 ARG 7 -6.894 3.890 -8.293
60 HH12 ARG 7 HH12 ARG 7 -5.355 4.690 -8.417
61 HH21 ARG 7 HH21 ARG 7 -3.503 1.740 -8.759
62 HH22 ARG 7 HH22 ARG 7 -3.439 3.470 -8.696
63 H CYS 8 H CYS 8 -9.168 -0.066 -4.998
64 HA CYS 8 HA CYS 8 -6.524 -1.046 -4.880
65 HB2 CYS 8 HB2 CYS 8 -7.718 1.100 -3.826
66 HB3 CYS 8 HB3 CYS 8 -7.788 0.031 -2.434
67 H VAL 9 H VAL 9 -9.501 -2.062 -3.351
68 HA VAL 9 HA VAL 9 -8.546 -3.433 -1.158
69 HB VAL 9 HB VAL 9 -10.898 -3.026 -1.461
70 HG11 VAL 9 HG11 VAL 9 -12.243 -4.232 -3.090
71 HG12 VAL 9 HG12 VAL 9 -10.791 -5.006 -3.724
72 HG13 VAL 9 HG13 VAL 9 -10.996 -3.259 -3.876
73 HG21 VAL 9 HG21 VAL 9 -10.317 -5.986 -1.377
74 HG22 VAL 9 HG22 VAL 9 -11.825 -5.227 -0.869
75 HG23 VAL 9 HG23 VAL 9 -10.328 -4.879 -0.004
76 H GLY 10 H GLY 10 -8.585 -4.478 -4.520
77 HA2 GLY 10 HA2 GLY 10 -7.691 -7.150 -3.771
78 HA3 GLY 10 HA3 GLY 10 -8.008 -6.577 -5.401
79 H TYR 11 H TYR 11 -6.329 -4.130 -4.676
80 HA TYR 11 HA TYR 11 -3.853 -5.326 -5.629
81 HB2 TYR 11 HB2 TYR 11 -4.880 -2.503 -5.575
82 HB3 TYR 11 HB3 TYR 11 -3.220 -2.898 -6.000
83 HD1 TYR 11 HD1 TYR 11 -3.304 -5.142 -7.697
84 HD2 TYR 11 HD2 TYR 11 -6.111 -1.972 -7.426
85 HE1 TYR 11 HE1 TYR 11 -3.997 -5.574 -10.007
86 HE2 TYR 11 HE2 TYR 11 -6.821 -2.383 -9.737
87 HH TYR 11 HH TYR 11 -5.865 -5.194 -11.478
88 H HIS 12 H HIS 12 -4.641 -2.684 -3.333
89 HA HIS 12 HA HIS 12 -2.116 -3.333 -1.945
90 HB2 HIS 12 HB2 HIS 12 -3.236 -0.559 -1.866
91 HB3 HIS 12 HB3 HIS 12 -1.571 -1.091 -1.697
92 HD1 HIS 12 HD1 HIS 12 -3.508 0.798 -3.865
93 HD2 HIS 12 HD2 HIS 12 -0.768 -2.258 -4.478
94 HE1 HIS 12 HE1 HIS 12 -2.739 1.053 -6.244
95 HE2 HIS 12 HE2 HIS 12 -0.901 -0.650 -6.505
96 H GLY 13 H GLY 13 -5.190 -3.839 -1.530
97 HA2 GLY 13 HA2 GLY 13 -5.992 -4.600 0.585
98 HA3 GLY 13 HA3 GLY 13 -4.984 -3.391 1.365
99 H TYR 14 H TYR 14 -7.030 -2.997 2.557
100 HA TYR 14 HA TYR 14 -9.222 -1.861 1.027
101 HB2 TYR 14 HB2 TYR 14 -10.363 -1.781 3.268
102 HB3 TYR 14 HB3 TYR 14 -9.884 -3.387 2.733
103 HD1 TYR 14 HD1 TYR 14 -8.675 -4.755 4.173
104 HD2 TYR 14 HD2 TYR 14 -8.727 -0.564 4.867
105 HE1 TYR 14 HE1 TYR 14 -7.494 -5.098 6.303
106 HE2 TYR 14 HE2 TYR 14 -7.545 -0.891 6.995
107 HH TYR 14 HH TYR 14 -7.241 -2.697 8.660
108 H CYS 15 H CYS 15 -10.348 0.085 2.295
109 HA CYS 15 HA CYS 15 -8.246 2.149 2.393
110 HB2 CYS 15 HB2 CYS 15 -11.053 2.421 1.310
111 HB3 CYS 15 HB3 CYS 15 -9.813 3.667 1.309
112 H ILE 16 H ILE 16 -8.131 2.217 4.661
113 HA ILE 16 HA ILE 16 -10.543 3.115 6.059
114 HB ILE 16 HB ILE 16 -9.269 2.939 8.137
115 HG12 ILE 16 HG12 ILE 16 -7.019 1.986 6.358
116 HG13 ILE 16 HG13 ILE 16 -7.029 3.436 7.349
117 HG21 ILE 16 HG21 ILE 16 -9.025 0.475 8.145
118 HG22 ILE 16 HG22 ILE 16 -9.233 0.495 6.394
119 HG23 ILE 16 HG23 ILE 16 -10.539 1.044 7.443
120 HD11 ILE 16 HD11 ILE 16 -7.084 2.086 9.362
121 HD12 ILE 16 HD12 ILE 16 -5.705 1.652 8.352
122 HD13 ILE 16 HD13 ILE 16 -7.131 0.615 8.392
123 H ARG 17 H ARG 17 -9.564 4.848 7.936
124 HA ARG 17 HA ARG 17 -9.156 7.146 6.242
125 HB2 ARG 17 HB2 ARG 17 -10.700 7.286 8.135
126 HB3 ARG 17 HB3 ARG 17 -9.382 6.952 9.251
127 HG2 ARG 17 HG2 ARG 17 -8.266 9.036 8.354
128 HG3 ARG 17 HG3 ARG 17 -9.801 9.398 7.560
129 HD2 ARG 17 HD2 ARG 17 -9.697 10.564 9.667
130 HD3 ARG 17 HD3 ARG 17 -10.919 9.297 9.761
131 HE ARG 17 HE ARG 17 -8.492 8.255 10.686
132 HH11 ARG 17 HH11 ARG 17 -10.879 10.632 11.616
133 HH12 ARG 17 HH12 ARG 17 -10.581 10.457 13.315
134 HH21 ARG 17 HH21 ARG 17 -8.098 8.013 12.917
135 HH22 ARG 17 HH22 ARG 17 -9.006 8.956 14.054
136 H SER 18 H SER 18 -7.270 5.419 8.724
137 HA SER 18 HA SER 18 -5.071 7.289 8.185
138 HB2 SER 18 HB2 SER 18 -6.066 6.383 10.889
139 HB3 SER 18 HB3 SER 18 -4.595 7.318 10.624
140 HG SER 18 HG SER 18 -6.137 8.813 9.458
141 H LYS 19 H LYS 19 -3.022 6.513 9.309
142 HA LYS 19 HA LYS 19 -2.370 4.027 8.046
143 HB2 LYS 19 HB2 LYS 19 -0.775 6.060 9.597
144 HB3 LYS 19 HB3 LYS 19 -0.068 4.640 8.847
145 HG2 LYS 19 HG2 LYS 19 0.272 6.537 7.478
146 HG3 LYS 19 HG3 LYS 19 -0.815 5.449 6.651
147 HD2 LYS 19 HD2 LYS 19 -1.564 7.705 6.313
148 HD3 LYS 19 HD3 LYS 19 -2.695 6.908 7.405
149 HE2 LYS 19 HE2 LYS 19 -1.740 8.012 9.301
150 HE3 LYS 19 HE3 LYS 19 -0.428 8.665 8.323
151 HZ1 LYS 19 HZ1 LYS 19 -2.044 9.976 7.150
152 HZ2 LYS 19 HZ2 LYS 19 -2.141 10.290 8.742
153 HZ3 LYS 19 HZ3 LYS 19 -3.264 9.358 8.031
154 H VAL 20 H VAL 20 -4.018 4.164 10.512
155 HA VAL 20 HA VAL 20 -2.483 2.940 12.628
156 HB VAL 20 HB VAL 20 -5.476 2.871 12.568
157 HG11 VAL 20 HG11 VAL 20 -4.299 1.825 14.425
158 HG12 VAL 20 HG12 VAL 20 -5.214 3.233 14.971
159 HG13 VAL 20 HG13 VAL 20 -3.466 3.341 14.764
160 HG21 VAL 20 HG21 VAL 20 -4.955 5.108 11.807
161 HG22 VAL 20 HG22 VAL 20 -3.821 5.323 13.143
162 HG23 VAL 20 HG23 VAL 20 -5.546 5.158 13.470
163 H CYS 21 H CYS 21 -2.418 1.559 10.134
164 HA CYS 21 HA CYS 21 -4.208 -0.561 9.877
165 HB2 CYS 21 HB2 CYS 21 -1.293 -0.537 9.096
166 HB3 CYS 21 HB3 CYS 21 -2.573 -1.511 8.380
167 HA PRO 22 HA PRO 22 -2.975 -3.274 13.221
168 HB2 PRO 22 HB2 PRO 22 -4.456 -5.400 12.445
169 HB3 PRO 22 HB3 PRO 22 -5.175 -3.972 13.200
170 HG2 PRO 22 HG2 PRO 22 -5.026 -4.711 10.301
171 HG3 PRO 22 HG3 PRO 22 -6.395 -4.055 11.219
172 HD2 PRO 22 HD2 PRO 22 -4.824 -2.521 9.637
173 HD3 PRO 22 HD3 PRO 22 -5.598 -1.900 11.106
174 H LYS 23 H LYS 23 -2.459 -5.851 13.140
175 HA LYS 23 HA LYS 23 -0.489 -6.167 10.976
176 HB2 LYS 23 HB2 LYS 23 -0.432 -7.048 13.849
177 HB3 LYS 23 HB3 LYS 23 0.575 -7.834 12.646
178 HG2 LYS 23 HG2 LYS 23 1.906 -6.205 13.740
179 HG3 LYS 23 HG3 LYS 23 1.556 -5.595 12.125
180 HD2 LYS 23 HD2 LYS 23 -0.124 -4.115 12.987
181 HD3 LYS 23 HD3 LYS 23 0.023 -4.816 14.599
182 HE2 LYS 23 HE2 LYS 23 1.188 -2.686 14.479
183 HE3 LYS 23 HE3 LYS 23 2.329 -4.004 14.740
184 HZ1 LYS 23 HZ1 LYS 23 3.100 -2.450 13.084
185 HZ2 LYS 23 HZ2 LYS 23 1.796 -2.720 12.159
186 HZ3 LYS 23 HZ3 LYS 23 2.866 -3.914 12.411
187 HA PRO 24 HA PRO 24 0.633 -7.393 10.047
188 HB2 PRO 24 HB2 PRO 24 1.001 -8.935 7.903
189 HB3 PRO 24 HB3 PRO 24 1.358 -9.544 9.524
190 HG2 PRO 24 HG2 PRO 24 -1.006 -10.072 7.779
191 HG3 PRO 24 HG3 PRO 24 -0.124 -11.184 8.837
192 HD2 PRO 24 HD2 PRO 24 -2.513 -9.893 9.478
193 HD3 PRO 24 HD3 PRO 24 -1.395 -10.619 10.647
194 H PHE 25 H PHE 25 -0.224 -5.415 9.365
195 HA PHE 25 HA PHE 25 -1.086 -5.353 6.576
196 HB2 PHE 25 HB2 PHE 25 -2.583 -4.077 8.871
197 HB3 PHE 25 HB3 PHE 25 -2.760 -3.523 7.212
198 HD1 PHE 25 HD1 PHE 25 -4.247 -4.563 5.778
199 HD2 PHE 25 HD2 PHE 25 -3.119 -6.505 9.389
200 HE1 PHE 25 HE1 PHE 25 -5.951 -6.285 5.379
201 HE2 PHE 25 HE2 PHE 25 -4.830 -8.233 8.996
202 HZ PHE 25 HZ PHE 25 -6.237 -8.118 6.981
203 H ALA 26 H ALA 26 -0.605 -3.396 5.511
204 HA ALA 26 HA ALA 26 1.097 -1.551 7.055
205 HB1 ALA 26 HB1 ALA 26 1.719 -2.428 4.243
206 HB2 ALA 26 HB2 ALA 26 2.447 -3.155 5.674
207 HB3 ALA 26 HB3 ALA 26 2.720 -1.448 5.315
208 H ALA 27 H ALA 27 0.756 0.553 6.698
209 HA ALA 27 HA ALA 27 -1.375 1.518 5.154
210 HB1 ALA 27 HB1 ALA 27 -0.568 2.748 7.061
211 HB2 ALA 27 HB2 ALA 27 -0.357 3.740 5.618
212 HB3 ALA 27 HB3 ALA 27 1.027 2.913 6.330
213 H PHE 28 H PHE 28 -1.274 0.971 3.017
214 HA PHE 28 HA PHE 28 1.181 1.624 1.563
215 HB2 PHE 28 HB2 PHE 28 -0.828 -0.469 1.326
216 HB3 PHE 28 HB3 PHE 28 -0.533 0.340 -0.204
217 HD1 PHE 28 HD1 PHE 28 2.181 0.905 -0.381
218 HD2 PHE 28 HD2 PHE 28 0.314 -2.414 1.502
219 HE1 PHE 28 HE1 PHE 28 4.226 -0.425 -0.704
220 HE2 PHE 28 HE2 PHE 28 2.346 -3.750 1.188
221 HZ PHE 28 HZ PHE 28 4.310 -2.754 0.085
222 H GLY 29 H GLY 29 0.844 3.816 1.521
223 HA2 GLY 29 HA2 GLY 29 0.141 5.783 0.608
224 HA3 GLY 29 HA3 GLY 29 -0.177 4.821 -0.818
225 H THR 30 H THR 30 -2.010 5.554 -1.542
226 HA THR 30 HA THR 30 -4.361 5.372 0.171
227 HB THR 30 HB THR 30 -5.160 7.583 -0.694
228 HG1 THR 30 HG1 THR 30 -4.002 8.260 -2.362
229 HG21 THR 30 HG21 THR 30 -3.627 8.976 0.721
230 HG22 THR 30 HG22 THR 30 -2.595 7.557 0.898
231 HG23 THR 30 HG23 THR 30 -4.244 7.533 1.525
232 H CYS 31 H CYS 31 -6.164 4.686 -0.961
233 HA CYS 31 HA CYS 31 -5.691 3.591 -3.547
234 HB2 CYS 31 HB2 CYS 31 -8.121 2.949 -3.381
235 HB3 CYS 31 HB3 CYS 31 -7.077 2.339 -2.103
236 H SER 32 H SER 32 -8.342 5.729 -2.513
237 HA SER 32 HA SER 32 -8.424 6.732 -5.271
238 HB2 SER 32 HB2 SER 32 -10.431 5.505 -4.180
239 HB3 SER 32 HB3 SER 32 -10.657 6.989 -3.257
240 HG SER 32 HG SER 32 -10.365 7.159 -6.044
241 H TRP 33 H TRP 33 -9.582 7.985 -2.165
242 HA TRP 33 HA TRP 33 -8.394 10.571 -2.780
243 HB2 TRP 33 HB2 TRP 33 -9.897 9.992 -0.251
244 HB3 TRP 33 HB3 TRP 33 -9.815 11.485 -1.176
245 HD1 TRP 33 HD1 TRP 33 -12.384 9.444 -0.182
246 HE1 TRP 33 HE1 TRP 33 -14.242 9.092 -1.915
247 HE3 TRP 33 HE3 TRP 33 -9.863 10.891 -4.403
248 HZ2 TRP 33 HZ2 TRP 33 -14.601 9.369 -4.686
249 HZ3 TRP 33 HZ3 TRP 33 -11.055 10.806 -6.558
250 HH2 TRP 33 HH2 TRP 33 -13.366 10.062 -6.690
251 H ARG 34 H ARG 34 -6.915 11.570 -1.325
252 HA ARG 34 HA ARG 34 -4.994 9.731 -0.299
253 HB2 ARG 34 HB2 ARG 34 -4.351 11.842 -1.363
254 HB3 ARG 34 HB3 ARG 34 -5.124 12.740 -0.065
255 HG2 ARG 34 HG2 ARG 34 -3.020 10.780 0.644
256 HG3 ARG 34 HG3 ARG 34 -2.542 12.288 -0.106
257 HD2 ARG 34 HD2 ARG 34 -3.570 13.559 1.646
258 HD3 ARG 34 HD3 ARG 34 -4.268 12.098 2.348
259 HE ARG 34 HE ARG 34 -1.700 11.491 2.481
260 HH11 ARG 34 HH11 ARG 34 -3.300 14.501 3.272
261 HH12 ARG 34 HH12 ARG 34 -2.114 14.971 4.448
262 HH21 ARG 34 HH21 ARG 34 -0.132 12.103 4.015
263 HH22 ARG 34 HH22 ARG 34 -0.307 13.604 4.869
264 H GLN 35 H GLN 35 -7.533 11.617 1.026
265 HA GLN 35 HA GLN 35 -6.937 11.625 3.735
266 HB2 GLN 35 HB2 GLN 35 -9.404 11.708 4.080
267 HB3 GLN 35 HB3 GLN 35 -8.797 12.886 2.924
268 HG2 GLN 35 HG2 GLN 35 -9.525 11.493 1.090
269 HG3 GLN 35 HG3 GLN 35 -10.074 10.255 2.217
270 HE21 GLN 35 HE21 GLN 35 -11.117 12.238 4.099
271 HE22 GLN 35 HE22 GLN 35 -12.577 12.841 3.403
272 H LYS 36 H LYS 36 -7.591 8.899 1.782
273 HA LYS 36 HA LYS 36 -7.936 7.286 4.212
274 HB2 LYS 36 HB2 LYS 36 -9.207 5.643 2.734
275 HB3 LYS 36 HB3 LYS 36 -10.042 7.108 3.213
276 HG2 LYS 36 HG2 LYS 36 -9.014 7.923 0.870
277 HG3 LYS 36 HG3 LYS 36 -9.173 6.192 0.551
278 HD2 LYS 36 HD2 LYS 36 -11.403 7.902 1.639
279 HD3 LYS 36 HD3 LYS 36 -11.175 7.581 -0.080
280 HE2 LYS 36 HE2 LYS 36 -11.880 5.433 0.089
281 HE3 LYS 36 HE3 LYS 36 -11.229 5.233 1.714
282 HZ1 LYS 36 HZ1 LYS 36 -13.615 5.222 1.742
283 HZ2 LYS 36 HZ2 LYS 36 -13.692 6.676 1.023
284 HZ3 LYS 36 HZ3 LYS 36 -13.084 6.549 2.525
285 H THR 37 H THR 37 -6.560 5.739 4.537
286 HA THR 37 HA THR 37 -4.334 5.393 2.722
287 HB THR 37 HB THR 37 -4.806 4.135 5.436
288 HG1 THR 37 HG1 THR 37 -4.205 6.715 4.734
289 HG21 THR 37 HG21 THR 37 -2.380 3.890 5.508
290 HG22 THR 37 HG22 THR 37 -2.242 4.648 3.919
291 HG23 THR 37 HG23 THR 37 -3.032 3.080 4.083
292 H CYS 38 H CYS 38 -3.685 3.387 1.835
293 HA CYS 38 HA CYS 38 -5.847 1.407 1.651
294 HB2 CYS 38 HB2 CYS 38 -4.683 2.507 -0.383
295 HB3 CYS 38 HB3 CYS 38 -3.331 1.450 -0.000
296 H CYS 39 H CYS 39 -5.662 -0.180 3.150
297 HA CYS 39 HA CYS 39 -2.943 -0.944 3.993
298 HB2 CYS 39 HB2 CYS 39 -5.546 -1.167 5.511
299 HB3 CYS 39 HB3 CYS 39 -3.970 -1.672 6.110
300 H VAL 40 H VAL 40 -2.303 -2.755 3.070
301 HA VAL 40 HA VAL 40 -4.249 -4.912 2.626
302 HB VAL 40 HB VAL 40 -2.766 -4.027 0.728
303 HG11 VAL 40 HG11 VAL 40 -0.689 -3.942 2.011
304 HG12 VAL 40 HG12 VAL 40 -0.535 -4.909 0.547
305 HG13 VAL 40 HG13 VAL 40 -0.686 -5.702 2.116
306 HG21 VAL 40 HG21 VAL 40 -4.050 -6.039 0.483
307 HG22 VAL 40 HG22 VAL 40 -2.849 -6.966 1.384
308 HG23 VAL 40 HG23 VAL 40 -2.446 -6.303 -0.205
309 H ASP 41 H ASP 41 -3.731 -7.062 3.292
310 HA ASP 41 HA ASP 41 -2.293 -7.290 5.693
311 HB2 ASP 41 HB2 ASP 41 -2.794 -9.692 5.394
312 HB3 ASP 41 HB3 ASP 41 -4.206 -8.682 5.271
313 H THR 42 H THR 42 -0.198 -6.685 5.401
314 HA THR 42 HA THR 42 1.282 -7.545 3.106
315 HB THR 42 HB THR 42 3.178 -6.383 4.490
316 HG1 THR 42 HG1 THR 42 2.447 -5.959 6.442
317 HG21 THR 42 HG21 THR 42 2.472 -4.227 3.659
318 HG22 THR 42 HG22 THR 42 0.802 -4.776 3.541
319 HG23 THR 42 HG23 THR 42 2.034 -5.465 2.484
320 H THR 43 H THR 43 1.060 -9.842 3.492
321 HA THR 43 HA THR 43 3.245 -10.769 5.212
322 HB THR 43 HB THR 43 1.254 -11.860 5.918
323 HG1 THR 43 HG1 THR 43 3.147 -13.210 5.637
324 HG21 THR 43 HG21 THR 43 0.768 -12.780 3.088
325 HG22 THR 43 HG22 THR 43 -0.073 -11.436 3.857
326 HG23 THR 43 HG23 THR 43 -0.254 -13.069 4.495
327 H SER 44 H SER 44 1.686 -11.581 2.085
328 HA SER 44 HA SER 44 4.298 -12.366 1.030
329 HB2 SER 44 HB2 SER 44 1.582 -12.629 -0.245
330 HB3 SER 44 HB3 SER 44 3.076 -13.382 -0.794
331 HG SER 44 HG SER 44 1.841 -14.856 0.398
332 H ASP 45 H ASP 45 1.557 -10.287 0.147
333 HA ASP 45 HA ASP 45 2.719 -9.507 -2.334
334 HB2 ASP 45 HB2 ASP 45 0.263 -8.482 -0.908
335 HB3 ASP 45 HB3 ASP 45 0.712 -8.064 -2.556
336 H PHE 46 H PHE 46 3.365 -8.391 0.691
337 HA PHE 46 HA PHE 46 3.003 -5.681 0.709
338 HB2 PHE 46 HB2 PHE 46 4.781 -5.567 2.369
339 HB3 PHE 46 HB3 PHE 46 3.619 -6.857 2.676
340 HD1 PHE 46 HD1 PHE 46 4.238 -9.153 2.053
341 HD2 PHE 46 HD2 PHE 46 7.029 -5.990 2.081
342 HE1 PHE 46 HE1 PHE 46 6.067 -10.798 2.111
343 HE2 PHE 46 HE2 PHE 46 8.892 -7.598 2.147
344 HZ PHE 46 HZ PHE 46 8.413 -10.020 2.159
345 H HIS 47 H HIS 47 5.289 -7.334 -1.181
346 HA HIS 47 HA HIS 47 7.316 -5.428 -1.432
347 HB2 HIS 47 HB2 HIS 47 6.344 -7.430 -3.462
348 HB3 HIS 47 HB3 HIS 47 7.791 -6.446 -3.634
349 HD1 HIS 47 HD1 HIS 47 9.857 -7.101 -2.250
350 HD2 HIS 47 HD2 HIS 47 6.552 -9.542 -1.602
351 HE1 HIS 47 HE1 HIS 47 10.718 -9.085 -0.969
352 HE2 HIS 47 HE2 HIS 47 8.742 -10.631 -0.757
353 H THR 48 H THR 48 4.178 -4.902 -2.104
354 HA THR 48 HA THR 48 3.853 -3.654 -4.503
355 HB THR 48 HB THR 48 2.757 -2.582 -1.927
356 HG1 THR 48 HG1 THR 48 1.736 -4.764 -3.446
357 HG21 THR 48 HG21 THR 48 2.207 -1.303 -3.932
358 HG22 THR 48 HG22 THR 48 0.779 -2.103 -3.277
359 HG23 THR 48 HG23 THR 48 1.587 -2.767 -4.699
360 H CYS 49 H CYS 49 6.114 -2.624 -2.193
361 HA CYS 49 HA CYS 49 6.303 0.077 -2.220
362 HB2 CYS 49 HB2 CYS 49 8.019 -1.579 -1.349
363 HB3 CYS 49 HB3 CYS 49 8.623 -1.693 -2.996
364 H GLN 50 H GLN 50 7.363 -2.053 -4.825
365 HA GLN 50 HA GLN 50 8.271 -0.348 -6.728
366 HB2 GLN 50 HB2 GLN 50 7.575 -2.056 -8.351
367 HB3 GLN 50 HB3 GLN 50 8.297 -2.770 -6.920
368 HG2 GLN 50 HG2 GLN 50 5.879 -3.015 -6.082
369 HG3 GLN 50 HG3 GLN 50 5.429 -2.746 -7.760
370 HE21 GLN 50 HE21 GLN 50 6.852 -4.889 -5.488
371 HE22 GLN 50 HE22 GLN 50 6.958 -6.259 -6.544
372 H ASP 51 H ASP 51 4.853 -1.043 -6.054
373 HA ASP 51 HA ASP 51 3.939 0.339 -8.403
374 HB2 ASP 51 HB2 ASP 51 2.744 -1.604 -7.373
375 HB3 ASP 51 HB3 ASP 51 2.321 -0.567 -6.016
376 H LYS 52 H LYS 52 4.415 1.077 -5.047
377 HA LYS 52 HA LYS 52 3.005 3.580 -5.089
378 HB2 LYS 52 HB2 LYS 52 4.828 2.208 -3.163
379 HB3 LYS 52 HB3 LYS 52 4.547 3.930 -2.976
380 HG2 LYS 52 HG2 LYS 52 2.013 2.875 -3.289
381 HG3 LYS 52 HG3 LYS 52 2.861 1.686 -2.298
382 HD2 LYS 52 HD2 LYS 52 1.777 3.353 -0.887
383 HD3 LYS 52 HD3 LYS 52 3.533 3.477 -0.748
384 HE2 LYS 52 HE2 LYS 52 3.566 5.380 -2.227
385 HE3 LYS 52 HE3 LYS 52 1.840 5.211 -2.551
386 HZ1 LYS 52 HZ1 LYS 52 3.184 6.291 -0.232
387 HZ2 LYS 52 HZ2 LYS 52 1.790 5.496 0.031
388 HZ3 LYS 52 HZ3 LYS 52 1.807 6.783 -0.960
389 H GLY 53 H GLY 53 5.819 2.603 -6.504
390 HA2 GLY 53 HA2 GLY 53 7.387 3.929 -7.632
391 HA3 GLY 53 HA3 GLY 53 6.799 5.331 -6.740
392 H GLY 54 H GLY 54 7.705 2.280 -5.290
393 HA2 GLY 54 HA2 GLY 54 9.164 3.237 -3.200
394 HA3 GLY 54 HA3 GLY 54 9.455 1.659 -3.928
395 H HIS 55 H HIS 55 10.963 4.302 -2.953
396 HA HIS 55 HA HIS 55 12.543 4.872 -5.325
397 HB2 HIS 55 HB2 HIS 55 12.458 6.127 -2.580
398 HB3 HIS 55 HB3 HIS 55 13.611 6.606 -3.820
399 HD1 HIS 55 HD1 HIS 55 12.837 8.308 -5.483
400 HD2 HIS 55 HD2 HIS 55 9.689 6.659 -3.329
401 HE1 HIS 55 HE1 HIS 55 10.809 9.658 -6.109
402 HE2 HIS 55 HE2 HIS 55 8.893 8.533 -4.924
403 H CYS 56 H CYS 56 14.881 4.891 -5.234
404 HA CYS 56 HA CYS 56 15.918 2.838 -3.411
405 HB2 CYS 56 HB2 CYS 56 16.456 3.254 -6.343
406 HB3 CYS 56 HB3 CYS 56 17.540 2.320 -5.316
407 H VAL 57 H VAL 57 17.397 3.547 -2.099
408 HA VAL 57 HA VAL 57 19.068 5.807 -2.959
409 HB VAL 57 HB VAL 57 19.058 6.665 -0.668
410 HG11 VAL 57 HG11 VAL 57 16.282 6.266 -1.763
411 HG12 VAL 57 HG12 VAL 57 17.422 7.522 -2.245
412 HG13 VAL 57 HG13 VAL 57 16.769 7.506 -0.606
413 HG21 VAL 57 HG21 VAL 57 18.705 4.609 0.567
414 HG22 VAL 57 HG22 VAL 57 17.076 4.466 -0.093
415 HG23 VAL 57 HG23 VAL 57 17.471 5.793 0.999
416 H SER 58 H SER 58 21.174 5.665 -2.566
417 HA SER 58 HA SER 58 22.301 3.123 -1.981
418 HB2 SER 58 HB2 SER 58 24.432 4.270 -2.396
419 HB3 SER 58 HB3 SER 58 23.253 4.732 -3.610
420 HG SER 58 HG SER 58 23.455 6.709 -2.994
421 HA PRO 59 HA PRO 59 22.881 3.150 2.329
422 HB2 PRO 59 HB2 PRO 59 25.538 2.564 2.689
423 HB3 PRO 59 HB3 PRO 59 24.303 1.381 2.240
424 HG2 PRO 59 HG2 PRO 59 26.231 2.854 0.485
425 HG3 PRO 59 HG3 PRO 59 25.784 1.138 0.460
426 HD2 PRO 59 HD2 PRO 59 24.727 2.841 -1.294
427 HD3 PRO 59 HD3 PRO 59 23.739 1.559 -0.572
428 H LYS 60 H LYS 60 24.546 5.497 0.529
429 HA LYS 60 HA LYS 60 25.485 6.856 2.950
430 HB2 LYS 60 HB2 LYS 60 26.647 8.391 1.340
431 HB3 LYS 60 HB3 LYS 60 27.184 6.725 1.301
432 HG2 LYS 60 HG2 LYS 60 27.092 7.337 -0.935
433 HG3 LYS 60 HG3 LYS 60 25.601 6.435 -0.681
434 HD2 LYS 60 HD2 LYS 60 25.065 8.364 -1.977
435 HD3 LYS 60 HD3 LYS 60 24.432 8.628 -0.352
436 HE2 LYS 60 HE2 LYS 60 25.478 10.651 -1.152
437 HE3 LYS 60 HE3 LYS 60 26.426 9.981 0.173
438 HZ1 LYS 60 HZ1 LYS 60 27.055 9.700 -2.678
439 HZ2 LYS 60 HZ2 LYS 60 27.928 9.069 -1.462
440 HZ3 LYS 60 HZ3 LYS 60 27.823 10.683 -1.631
441 H ILE 61 H ILE 61 22.797 6.727 1.068
442 HA ILE 61 HA ILE 61 22.127 9.540 1.101
443 HB ILE 61 HB ILE 61 20.348 7.162 0.565
444 HG12 ILE 61 HG12 ILE 61 22.368 7.499 -0.956
445 HG13 ILE 61 HG13 ILE 61 20.796 7.382 -1.738
446 HG21 ILE 61 HG21 ILE 61 19.966 10.094 -0.025
447 HG22 ILE 61 HG22 ILE 61 19.079 9.134 1.159
448 HG23 ILE 61 HG23 ILE 61 18.893 8.802 -0.563
449 HD11 ILE 61 HD11 ILE 61 22.124 9.100 -2.763
450 HD12 ILE 61 HD12 ILE 61 22.361 9.894 -1.206
451 HD13 ILE 61 HD13 ILE 61 20.753 9.828 -1.930
452 H ARG 62 H ARG 62 20.902 10.570 2.577
453 HA ARG 62 HA ARG 62 19.968 8.981 4.861
454 HB2 ARG 62 HB2 ARG 62 20.813 11.853 4.631
455 HB3 ARG 62 HB3 ARG 62 19.763 11.340 5.940
456 HG2 ARG 62 HG2 ARG 62 21.960 11.315 6.791
457 HG3 ARG 62 HG3 ARG 62 21.509 9.631 6.534
458 HD2 ARG 62 HD2 ARG 62 22.750 9.631 4.420
459 HD3 ARG 62 HD3 ARG 62 23.212 11.310 4.698
460 HE ARG 62 HE ARG 62 23.935 9.554 6.853
461 HH11 ARG 62 HH11 ARG 62 24.942 10.789 3.738
462 HH12 ARG 62 HH12 ARG 62 26.630 10.538 4.046
463 HH21 ARG 62 HH21 ARG 62 26.148 9.217 7.256
464 HH22 ARG 62 HH22 ARG 62 27.316 9.648 6.049
465 H CYS 63 H CYS 63 18.102 8.290 4.012
466 HA CYS 63 HA CYS 63 15.972 10.265 3.611
467 HB2 CYS 63 HB2 CYS 63 16.641 9.543 1.400
468 HB3 CYS 63 HB3 CYS 63 16.621 7.859 1.897
469 H LEU 64 H LEU 64 13.811 9.397 4.129
470 HA LEU 64 HA LEU 64 13.846 7.506 6.256
471 HB2 LEU 64 HB2 LEU 64 11.689 8.843 4.698
472 HB3 LEU 64 HB3 LEU 64 11.288 7.487 5.733
473 HG LEU 64 HG LEU 64 12.389 8.741 7.628
474 HD11 LEU 64 HD11 LEU 64 12.231 11.041 5.691
475 HD12 LEU 64 HD12 LEU 64 13.712 10.287 6.285
476 HD13 LEU 64 HD13 LEU 64 12.648 11.145 7.402
477 HD21 LEU 64 HD21 LEU 64 10.450 10.150 8.016
478 HD22 LEU 64 HD22 LEU 64 9.984 8.579 7.366
479 HD23 LEU 64 HD23 LEU 64 9.993 9.998 6.320
480 H GLU 65 H GLU 65 14.894 5.759 5.444
481 HA GLU 65 HA GLU 65 13.974 4.494 3.024
482 HB2 GLU 65 HB2 GLU 65 15.939 3.137 3.137
483 HB3 GLU 65 HB3 GLU 65 16.395 4.794 3.495
484 HG2 GLU 65 HG2 GLU 65 15.908 2.718 5.612
485 HG3 GLU 65 HG3 GLU 65 17.485 3.022 4.895
486 H GLU 66 H GLU 66 13.936 2.080 2.994
487 HA GLU 66 HA GLU 66 13.211 0.056 3.633
488 HB2 GLU 66 HB2 GLU 66 13.113 1.238 6.398
489 HB3 GLU 66 HB3 GLU 66 12.729 -0.441 6.028
490 HG2 GLU 66 HG2 GLU 66 14.941 -0.773 5.127
491 HG3 GLU 66 HG3 GLU 66 15.323 0.916 5.419
492 H GLN 67 H GLN 67 11.590 1.252 2.248
493 HA GLN 67 HA GLN 67 8.950 1.329 3.392
494 HB2 GLN 67 HB2 GLN 67 9.542 2.468 1.247
495 HB3 GLN 67 HB3 GLN 67 9.727 0.889 0.499
496 HG2 GLN 67 HG2 GLN 67 7.425 0.420 0.684
497 HG3 GLN 67 HG3 GLN 67 7.160 1.757 1.800
498 HE21 GLN 67 HE21 GLN 67 5.873 1.132 -0.761
499 HE22 GLN 67 HE22 GLN 67 6.104 2.524 -1.754
500 H LEU 68 H LEU 68 9.826 -0.905 0.768
501 HA LEU 68 HA LEU 68 9.557 -3.202 2.566
502 HB2 LEU 68 HB2 LEU 68 7.900 -2.865 0.066
503 HB3 LEU 68 HB3 LEU 68 8.182 -4.412 0.818
504 HG LEU 68 HG LEU 68 6.061 -3.826 1.517
505 HD11 LEU 68 HD11 LEU 68 6.164 -3.433 3.891
506 HD12 LEU 68 HD12 LEU 68 7.815 -2.834 3.749
507 HD13 LEU 68 HD13 LEU 68 7.458 -4.525 3.400
508 HD21 LEU 68 HD21 LEU 68 7.033 -1.047 2.102
509 HD22 LEU 68 HD22 LEU 68 5.381 -1.643 2.275
510 HD23 LEU 68 HD23 LEU 68 6.125 -1.551 0.676
511 H GLY 69 H GLY 69 11.364 -4.357 2.243
512 HA2 GLY 69 HA2 GLY 69 12.464 -6.025 1.058
513 HA3 GLY 69 HA3 GLY 69 11.694 -5.460 -0.411
514 H LEU 70 H LEU 70 13.815 -5.946 -1.263
515 HA LEU 70 HA LEU 70 15.895 -3.975 -0.630
516 HB2 LEU 70 HB2 LEU 70 16.497 -6.340 -0.372
517 HB3 LEU 70 HB3 LEU 70 16.052 -6.643 -2.039
518 HG LEU 70 HG LEU 70 17.889 -5.128 -2.760
519 HD11 LEU 70 HD11 LEU 70 19.609 -4.526 -1.115
520 HD12 LEU 70 HD12 LEU 70 18.576 -5.141 0.174
521 HD13 LEU 70 HD13 LEU 70 18.064 -3.746 -0.776
522 HD21 LEU 70 HD21 LEU 70 18.199 -7.547 -2.663
523 HD22 LEU 70 HD22 LEU 70 18.716 -7.416 -0.981
524 HD23 LEU 70 HD23 LEU 70 19.688 -6.691 -2.261
525 H CYS 71 H CYS 71 17.068 -3.019 -2.331
526 HA CYS 71 HA CYS 71 15.459 -2.428 -4.675
527 HB2 CYS 71 HB2 CYS 71 17.729 -1.118 -3.264
528 HB3 CYS 71 HB3 CYS 71 17.538 -0.797 -4.985
529 HA PRO 72 HA PRO 72 17.709 -4.441 -8.000
530 HB2 PRO 72 HB2 PRO 72 18.754 -1.687 -8.570
531 HB3 PRO 72 HB3 PRO 72 18.152 -2.915 -9.697
532 HG2 PRO 72 HG2 PRO 72 16.623 -0.853 -8.921
533 HG3 PRO 72 HG3 PRO 72 15.942 -2.460 -9.222
534 HD2 PRO 72 HD2 PRO 72 16.313 -1.031 -6.677
535 HD3 PRO 72 HD3 PRO 72 15.233 -2.384 -7.063
536 H LEU 73 H LEU 73 19.691 -1.742 -6.675
537 HA LEU 73 HA LEU 73 22.095 -3.297 -6.771
538 HB2 LEU 73 HB2 LEU 73 21.506 -0.741 -5.294
539 HB3 LEU 73 HB3 LEU 73 23.079 -1.483 -5.383
540 HG LEU 73 HG LEU 73 23.290 0.143 -6.958
541 HD11 LEU 73 HD11 LEU 73 23.770 -2.012 -7.978
542 HD12 LEU 73 HD12 LEU 73 23.217 -0.821 -9.156
543 HD13 LEU 73 HD13 LEU 73 22.119 -2.083 -8.596
544 HD21 LEU 73 HD21 LEU 73 21.161 1.142 -6.882
545 HD22 LEU 73 HD22 LEU 73 20.392 -0.261 -7.631
546 HD23 LEU 73 HD23 LEU 73 21.476 0.761 -8.576
547 H LYS 74 H LYS 74 23.394 -3.675 -4.789
548 HA LYS 74 HA LYS 74 21.710 -5.413 -3.195
549 HB2 LYS 74 HB2 LYS 74 23.811 -6.201 -4.308
550 HB3 LYS 74 HB3 LYS 74 24.723 -5.203 -3.180
551 HG2 LYS 74 HG2 LYS 74 24.671 -7.528 -2.461
552 HG3 LYS 74 HG3 LYS 74 23.824 -6.492 -1.309
553 HD2 LYS 74 HD2 LYS 74 21.683 -7.135 -2.346
554 HD3 LYS 74 HD3 LYS 74 22.552 -8.209 -3.440
555 HE2 LYS 74 HE2 LYS 74 23.355 -9.496 -1.521
556 HE3 LYS 74 HE3 LYS 74 22.486 -8.416 -0.433
557 HZ1 LYS 74 HZ1 LYS 74 21.180 -10.018 -2.511
558 HZ2 LYS 74 HZ2 LYS 74 20.452 -9.159 -1.338
559 HZ3 LYS 74 HZ3 LYS 74 21.305 -10.484 -0.957
560 H ARG 75 H ARG 75 23.901 -2.717 -2.675
561 HA ARG 75 HA ARG 75 23.476 -2.882 0.203
562 HB2 ARG 75 HB2 ARG 75 25.097 -0.857 0.120
563 HB3 ARG 75 HB3 ARG 75 25.705 -2.490 -0.119
564 HG2 ARG 75 HG2 ARG 75 25.597 -2.117 -2.559
565 HG3 ARG 75 HG3 ARG 75 25.119 -0.445 -2.245
566 HD2 ARG 75 HD2 ARG 75 27.173 0.020 -1.163
567 HD3 ARG 75 HD3 ARG 75 27.619 -1.686 -1.145
568 HE ARG 75 HE ARG 75 27.431 -1.274 -3.754
569 HH11 ARG 75 HH11 ARG 75 28.941 0.701 -1.287
570 HH12 ARG 75 HH12 ARG 75 30.145 1.341 -2.357
571 HH21 ARG 75 HH21 ARG 75 29.027 -0.444 -5.163
572 HH22 ARG 75 HH22 ARG 75 30.201 0.684 -4.560
573 H TRP 76 H TRP 76 21.625 -1.780 -2.074
574 HA TRP 76 HA TRP 76 21.090 0.838 -0.880
575 HB2 TRP 76 HB2 TRP 76 20.016 -0.468 -3.380
576 HB3 TRP 76 HB3 TRP 76 19.491 1.095 -2.770
577 HD1 TRP 76 HD1 TRP 76 23.129 -0.178 -3.131
578 HE1 TRP 76 HE1 TRP 76 24.381 1.443 -4.667
579 HE3 TRP 76 HE3 TRP 76 19.285 2.971 -4.271
580 HZ2 TRP 76 HZ2 TRP 76 23.808 3.758 -6.168
581 HZ3 TRP 76 HZ3 TRP 76 19.720 4.888 -5.736
582 HH2 TRP 76 HH2 TRP 76 21.944 5.280 -6.651
583 H THR 77 H THR 77 18.913 1.400 -0.343
584 HA THR 77 HA THR 77 17.345 -0.925 0.561
585 HB THR 77 HB THR 77 17.377 1.771 1.914
586 HG1 THR 77 HG1 THR 77 19.163 -0.400 2.136
587 HG21 THR 77 HG21 THR 77 16.537 0.476 3.824
588 HG22 THR 77 HG22 THR 77 16.575 -0.988 2.842
589 HG23 THR 77 HG23 THR 77 15.478 0.327 2.422
590 H CYS 78 H CYS 78 15.188 -0.944 0.040
591 HA CYS 78 HA CYS 78 14.110 0.954 -1.771
592 HB2 CYS 78 HB2 CYS 78 13.194 -1.307 -1.730
593 HB3 CYS 78 HB3 CYS 78 12.734 -1.122 -0.039
594 H CYS 79 H CYS 79 13.706 2.987 -1.227
595 HA CYS 79 HA CYS 79 13.213 3.585 1.586
596 HB2 CYS 79 HB2 CYS 79 15.034 4.798 0.822
597 HB3 CYS 79 HB3 CYS 79 14.277 5.187 -0.718
598 H LYS 80 H LYS 80 11.553 4.835 2.298
599 HA LYS 80 HA LYS 80 9.157 4.460 0.714
600 HB2 LYS 80 HB2 LYS 80 9.580 3.949 3.249
601 HB3 LYS 80 HB3 LYS 80 9.262 5.660 3.465
602 HG2 LYS 80 HG2 LYS 80 7.350 3.766 2.129
603 HG3 LYS 80 HG3 LYS 80 7.318 4.142 3.849
604 HD2 LYS 80 HD2 LYS 80 7.172 6.599 3.084
605 HD3 LYS 80 HD3 LYS 80 6.728 5.923 1.510
606 HE2 LYS 80 HE2 LYS 80 4.870 4.748 2.499
607 HE3 LYS 80 HE3 LYS 80 5.335 5.304 4.107
608 HZ1 LYS 80 HZ1 LYS 80 4.460 7.021 1.891
609 HZ2 LYS 80 HZ2 LYS 80 4.911 7.550 3.365
610 HZ3 LYS 80 HZ3 LYS 80 3.575 6.640 3.208
611 H GLU 81 H GLU 81 9.307 6.001 -0.838
612 HA GLU 81 HA GLU 81 9.005 8.000 -1.858
613 HB2 GLU 81 HB2 GLU 81 7.255 8.378 0.561
614 HB3 GLU 81 HB3 GLU 81 7.190 9.366 -0.893
615 HG2 GLU 81 HG2 GLU 81 6.556 7.453 -2.222
616 HG3 GLU 81 HG3 GLU 81 6.732 6.399 -0.817
617 H ILE 82 H ILE 82 10.962 8.969 -1.860
618 HA ILE 82 HA ILE 82 12.111 10.398 0.287
619 HB ILE 82 HB ILE 82 12.609 10.904 -2.652
620 HG12 ILE 82 HG12 ILE 82 13.978 8.906 -0.831
621 HG13 ILE 82 HG13 ILE 82 12.849 8.497 -2.119
622 HG21 ILE 82 HG21 ILE 82 14.820 11.629 -1.879
623 HG22 ILE 82 HG22 ILE 82 14.334 11.326 -0.212
624 HG23 ILE 82 HG23 ILE 82 13.531 12.585 -1.149
625 HD11 ILE 82 HD11 ILE 82 15.143 8.143 -2.824
626 HD12 ILE 82 HD12 ILE 82 15.526 9.828 -2.471
627 HD13 ILE 82 HD13 ILE 82 14.394 9.432 -3.764
Start of MODEL 8
1 H1 LEU 1 H1 LEU 1 -18.710 2.800 -2.915
2 H2 LEU 1 H2 LEU 1 -18.405 1.270 -2.462
3 H3 LEU 1 H3 LEU 1 -18.032 1.759 -3.966
4 HA LEU 1 HA LEU 1 -16.803 2.766 -1.518
5 HB2 LEU 1 HB2 LEU 1 -15.789 0.873 -3.625
6 HB3 LEU 1 HB3 LEU 1 -14.750 1.647 -2.454
7 HG LEU 1 HG LEU 1 -17.018 -0.175 -1.769
8 HD11 LEU 1 HD11 LEU 1 -14.072 -0.754 -1.882
9 HD12 LEU 1 HD12 LEU 1 -15.302 -1.404 -2.964
10 HD13 LEU 1 HD13 LEU 1 -15.306 -1.847 -1.256
11 HD21 LEU 1 HD21 LEU 1 -16.517 1.375 0.012
12 HD22 LEU 1 HD22 LEU 1 -14.805 0.973 -0.092
13 HD23 LEU 1 HD23 LEU 1 -15.963 -0.240 0.452
14 HA PRO 2 HA PRO 2 -15.256 6.258 -3.743
15 HB2 PRO 2 HB2 PRO 2 -12.552 5.448 -2.798
16 HB3 PRO 2 HB3 PRO 2 -13.389 6.995 -2.625
17 HG2 PRO 2 HG2 PRO 2 -13.192 5.384 -0.543
18 HG3 PRO 2 HG3 PRO 2 -14.739 6.205 -0.872
19 HD2 PRO 2 HD2 PRO 2 -13.930 3.376 -1.469
20 HD3 PRO 2 HD3 PRO 2 -15.451 3.979 -0.782
21 H ARG 3 H ARG 3 -13.567 6.945 -5.295
22 HA ARG 3 HA ARG 3 -13.876 5.633 -7.645
23 HB2 ARG 3 HB2 ARG 3 -13.165 7.939 -7.480
24 HB3 ARG 3 HB3 ARG 3 -11.616 7.446 -6.815
25 HG2 ARG 3 HG2 ARG 3 -11.062 6.353 -8.937
26 HG3 ARG 3 HG3 ARG 3 -12.612 6.882 -9.600
27 HD2 ARG 3 HD2 ARG 3 -11.982 9.201 -9.281
28 HD3 ARG 3 HD3 ARG 3 -10.466 8.711 -8.535
29 HE ARG 3 HE ARG 3 -10.945 7.806 -11.261
30 HH11 ARG 3 HH11 ARG 3 -9.395 10.097 -9.113
31 HH12 ARG 3 HH12 ARG 3 -8.216 10.595 -10.283
32 HH21 ARG 3 HH21 ARG 3 -9.390 8.460 -12.811
33 HH22 ARG 3 HH22 ARG 3 -8.213 9.663 -12.387
34 H ASP 4 H ASP 4 -10.998 5.343 -5.548
35 HA ASP 4 HA ASP 4 -9.987 3.299 -7.421
36 HB2 ASP 4 HB2 ASP 4 -8.500 5.046 -5.466
37 HB3 ASP 4 HB3 ASP 4 -7.754 3.743 -6.385
38 H THR 5 H THR 5 -11.663 3.271 -4.672
39 HA THR 5 HA THR 5 -9.972 1.724 -2.975
40 HB THR 5 HB THR 5 -12.959 2.149 -2.864
41 HG1 THR 5 HG1 THR 5 -10.892 3.312 -1.285
42 HG21 THR 5 HG21 THR 5 -11.084 1.075 -0.747
43 HG22 THR 5 HG22 THR 5 -12.249 0.115 -1.658
44 HG23 THR 5 HG23 THR 5 -12.814 1.373 -0.561
45 H SER 6 H SER 6 -12.604 0.899 -5.216
46 HA SER 6 HA SER 6 -12.692 -1.841 -4.516
47 HB2 SER 6 HB2 SER 6 -14.516 -0.651 -5.690
48 HB3 SER 6 HB3 SER 6 -13.506 -0.564 -7.129
49 HG SER 6 HG SER 6 -13.512 -2.837 -7.200
50 H ARG 7 H ARG 7 -10.703 0.025 -6.669
51 HA ARG 7 HA ARG 7 -9.441 -2.199 -7.944
52 HB2 ARG 7 HB2 ARG 7 -9.342 -0.051 -9.027
53 HB3 ARG 7 HB3 ARG 7 -8.640 0.698 -7.601
54 HG2 ARG 7 HG2 ARG 7 -6.997 -1.485 -8.500
55 HG3 ARG 7 HG3 ARG 7 -7.292 -0.346 -9.814
56 HD2 ARG 7 HD2 ARG 7 -6.306 0.416 -7.068
57 HD3 ARG 7 HD3 ARG 7 -5.258 0.128 -8.453
58 HE ARG 7 HE ARG 7 -7.333 2.205 -8.600
59 HH11 ARG 7 HH11 ARG 7 -3.960 1.256 -8.692
60 HH12 ARG 7 HH12 ARG 7 -3.394 2.839 -9.113
61 HH21 ARG 7 HH21 ARG 7 -6.580 4.312 -9.128
62 HH22 ARG 7 HH22 ARG 7 -4.874 4.568 -9.369
63 H CYS 8 H CYS 8 -8.614 -0.048 -5.273
64 HA CYS 8 HA CYS 8 -6.037 -1.069 -4.823
65 HB2 CYS 8 HB2 CYS 8 -7.296 1.110 -3.975
66 HB3 CYS 8 HB3 CYS 8 -7.577 0.090 -2.579
67 H VAL 9 H VAL 9 -9.166 -1.845 -3.370
68 HA VAL 9 HA VAL 9 -8.328 -3.181 -1.111
69 HB VAL 9 HB VAL 9 -10.647 -2.565 -1.485
70 HG11 VAL 9 HG11 VAL 9 -10.696 -4.783 -3.519
71 HG12 VAL 9 HG12 VAL 9 -10.812 -3.052 -3.846
72 HG13 VAL 9 HG13 VAL 9 -12.098 -3.871 -2.954
73 HG21 VAL 9 HG21 VAL 9 -10.296 -5.530 -1.058
74 HG22 VAL 9 HG22 VAL 9 -11.732 -4.597 -0.634
75 HG23 VAL 9 HG23 VAL 9 -10.200 -4.273 0.176
76 H GLY 10 H GLY 10 -8.479 -4.398 -4.394
77 HA2 GLY 10 HA2 GLY 10 -7.872 -7.107 -3.556
78 HA3 GLY 10 HA3 GLY 10 -8.033 -6.536 -5.211
79 H TYR 11 H TYR 11 -6.141 -4.282 -4.653
80 HA TYR 11 HA TYR 11 -3.777 -5.865 -5.290
81 HB2 TYR 11 HB2 TYR 11 -4.441 -2.950 -5.664
82 HB3 TYR 11 HB3 TYR 11 -2.853 -3.625 -5.999
83 HD1 TYR 11 HD1 TYR 11 -3.326 -6.097 -7.314
84 HD2 TYR 11 HD2 TYR 11 -5.505 -2.467 -7.653
85 HE1 TYR 11 HE1 TYR 11 -4.062 -6.758 -9.551
86 HE2 TYR 11 HE2 TYR 11 -6.255 -3.117 -9.902
87 HH TYR 11 HH TYR 11 -5.993 -6.240 -11.090
88 H HIS 12 H HIS 12 -4.300 -2.816 -3.494
89 HA HIS 12 HA HIS 12 -1.921 -3.517 -1.906
90 HB2 HIS 12 HB2 HIS 12 -2.944 -0.713 -1.976
91 HB3 HIS 12 HB3 HIS 12 -1.292 -1.300 -1.844
92 HD1 HIS 12 HD1 HIS 12 -3.293 0.508 -4.057
93 HD2 HIS 12 HD2 HIS 12 -0.577 -2.592 -4.561
94 HE1 HIS 12 HE1 HIS 12 -2.654 0.562 -6.487
95 HE2 HIS 12 HE2 HIS 12 -0.747 -1.088 -6.664
96 H GLY 13 H GLY 13 -5.017 -3.908 -1.596
97 HA2 GLY 13 HA2 GLY 13 -5.919 -4.606 0.498
98 HA3 GLY 13 HA3 GLY 13 -4.903 -3.412 1.294
99 H TYR 14 H TYR 14 -7.232 -3.254 2.262
100 HA TYR 14 HA TYR 14 -9.144 -1.820 0.635
101 HB2 TYR 14 HB2 TYR 14 -10.477 -1.783 2.781
102 HB3 TYR 14 HB3 TYR 14 -10.076 -3.384 2.170
103 HD1 TYR 14 HD1 TYR 14 -9.092 -0.834 4.665
104 HD2 TYR 14 HD2 TYR 14 -8.889 -4.913 3.502
105 HE1 TYR 14 HE1 TYR 14 -8.111 -1.396 6.848
106 HE2 TYR 14 HE2 TYR 14 -7.909 -5.493 5.680
107 HH TYR 14 HH TYR 14 -7.924 -3.380 8.312
108 H CYS 15 H CYS 15 -10.241 0.114 2.110
109 HA CYS 15 HA CYS 15 -7.965 1.934 2.533
110 HB2 CYS 15 HB2 CYS 15 -10.531 2.654 1.124
111 HB3 CYS 15 HB3 CYS 15 -9.093 3.651 1.304
112 H ILE 16 H ILE 16 -8.105 2.029 4.743
113 HA ILE 16 HA ILE 16 -10.646 2.805 5.955
114 HB ILE 16 HB ILE 16 -9.509 2.545 8.124
115 HG12 ILE 16 HG12 ILE 16 -7.153 1.716 6.425
116 HG13 ILE 16 HG13 ILE 16 -7.232 3.073 7.537
117 HG21 ILE 16 HG21 ILE 16 -10.733 0.692 7.244
118 HG22 ILE 16 HG22 ILE 16 -9.275 0.088 8.030
119 HG23 ILE 16 HG23 ILE 16 -9.354 0.188 6.271
120 HD11 ILE 16 HD11 ILE 16 -7.357 0.167 8.306
121 HD12 ILE 16 HD12 ILE 16 -7.422 1.537 9.413
122 HD13 ILE 16 HD13 ILE 16 -5.960 1.231 8.476
123 H ARG 17 H ARG 17 -10.022 4.444 7.966
124 HA ARG 17 HA ARG 17 -9.650 6.874 6.553
125 HB2 ARG 17 HB2 ARG 17 -11.176 6.659 8.470
126 HB3 ARG 17 HB3 ARG 17 -9.797 6.410 9.532
127 HG2 ARG 17 HG2 ARG 17 -8.971 8.646 8.977
128 HG3 ARG 17 HG3 ARG 17 -10.374 8.895 7.935
129 HD2 ARG 17 HD2 ARG 17 -10.458 8.358 10.899
130 HD3 ARG 17 HD3 ARG 17 -10.657 9.934 10.139
131 HE ARG 17 HE ARG 17 -12.592 8.532 8.949
132 HH11 ARG 17 HH11 ARG 17 -11.661 8.723 12.312
133 HH12 ARG 17 HH12 ARG 17 -13.276 8.509 12.908
134 HH21 ARG 17 HH21 ARG 17 -14.731 8.265 9.729
135 HH22 ARG 17 HH22 ARG 17 -15.023 8.253 11.439
136 H SER 18 H SER 18 -7.575 5.079 8.846
137 HA SER 18 HA SER 18 -5.454 7.000 8.228
138 HB2 SER 18 HB2 SER 18 -6.626 7.667 10.336
139 HB3 SER 18 HB3 SER 18 -6.134 6.141 11.038
140 HG SER 18 HG SER 18 -4.769 8.373 10.994
141 H LYS 19 H LYS 19 -3.495 6.154 9.792
142 HA LYS 19 HA LYS 19 -2.720 3.732 8.428
143 HB2 LYS 19 HB2 LYS 19 -1.055 5.253 10.415
144 HB3 LYS 19 HB3 LYS 19 -0.517 4.290 9.044
145 HG2 LYS 19 HG2 LYS 19 -0.247 6.293 8.094
146 HG3 LYS 19 HG3 LYS 19 -1.964 6.158 7.763
147 HD2 LYS 19 HD2 LYS 19 -2.350 7.346 9.960
148 HD3 LYS 19 HD3 LYS 19 -0.618 7.662 9.998
149 HE2 LYS 19 HE2 LYS 19 -2.524 8.536 7.833
150 HE3 LYS 19 HE3 LYS 19 -1.867 9.564 9.103
151 HZ1 LYS 19 HZ1 LYS 19 -0.310 8.232 7.005
152 HZ2 LYS 19 HZ2 LYS 19 0.321 9.144 8.193
153 HZ3 LYS 19 HZ3 LYS 19 -0.647 9.823 7.077
154 H VAL 20 H VAL 20 -4.624 3.951 10.795
155 HA VAL 20 HA VAL 20 -3.406 2.443 12.922
156 HB VAL 20 HB VAL 20 -6.375 2.590 12.488
157 HG11 VAL 20 HG11 VAL 20 -5.589 1.222 14.328
158 HG12 VAL 20 HG12 VAL 20 -6.412 2.657 14.941
159 HG13 VAL 20 HG13 VAL 20 -4.650 2.575 14.959
160 HG21 VAL 20 HG21 VAL 20 -5.512 4.842 12.112
161 HG22 VAL 20 HG22 VAL 20 -4.663 4.781 13.656
162 HG23 VAL 20 HG23 VAL 20 -6.426 4.748 13.615
163 H CYS 21 H CYS 21 -3.104 1.246 10.344
164 HA CYS 21 HA CYS 21 -4.867 -0.810 9.732
165 HB2 CYS 21 HB2 CYS 21 -1.869 -0.825 9.373
166 HB3 CYS 21 HB3 CYS 21 -3.051 -1.723 8.426
167 HA PRO 22 HA PRO 22 -4.164 -3.771 13.031
168 HB2 PRO 22 HB2 PRO 22 -5.352 -5.884 11.779
169 HB3 PRO 22 HB3 PRO 22 -6.258 -4.606 12.596
170 HG2 PRO 22 HG2 PRO 22 -5.690 -4.959 9.684
171 HG3 PRO 22 HG3 PRO 22 -7.186 -4.442 10.482
172 HD2 PRO 22 HD2 PRO 22 -5.483 -2.699 9.309
173 HD3 PRO 22 HD3 PRO 22 -6.451 -2.273 10.734
174 H LYS 23 H LYS 23 -3.467 -6.297 12.857
175 HA LYS 23 HA LYS 23 -1.173 -6.325 11.012
176 HB2 LYS 23 HB2 LYS 23 -1.327 -7.034 13.920
177 HB3 LYS 23 HB3 LYS 23 -0.140 -7.825 12.897
178 HG2 LYS 23 HG2 LYS 23 0.863 -5.947 14.030
179 HG3 LYS 23 HG3 LYS 23 0.790 -5.631 12.298
180 HD2 LYS 23 HD2 LYS 23 -1.271 -4.292 12.690
181 HD3 LYS 23 HD3 LYS 23 -1.041 -4.524 14.425
182 HE2 LYS 23 HE2 LYS 23 1.039 -3.341 14.370
183 HE3 LYS 23 HE3 LYS 23 1.010 -3.268 12.610
184 HZ1 LYS 23 HZ1 LYS 23 -0.936 -1.948 14.367
185 HZ2 LYS 23 HZ2 LYS 23 -0.888 -1.836 12.744
186 HZ3 LYS 23 HZ3 LYS 23 0.315 -1.201 13.637
187 HA PRO 24 HA PRO 24 0.201 -7.449 10.203
188 HB2 PRO 24 HB2 PRO 24 0.850 -8.874 8.051
189 HB3 PRO 24 HB3 PRO 24 1.140 -9.503 9.677
190 HG2 PRO 24 HG2 PRO 24 -1.024 -10.181 7.742
191 HG3 PRO 24 HG3 PRO 24 -0.139 -11.242 8.850
192 HD2 PRO 24 HD2 PRO 24 -2.673 -10.151 9.304
193 HD3 PRO 24 HD3 PRO 24 -1.610 -10.844 10.542
194 H PHE 25 H PHE 25 -0.703 -5.525 9.510
195 HA PHE 25 HA PHE 25 -1.328 -5.417 6.662
196 HB2 PHE 25 HB2 PHE 25 -3.076 -4.264 8.849
197 HB3 PHE 25 HB3 PHE 25 -3.144 -3.695 7.189
198 HD1 PHE 25 HD1 PHE 25 -4.545 -4.725 5.680
199 HD2 PHE 25 HD2 PHE 25 -3.475 -6.775 9.252
200 HE1 PHE 25 HE1 PHE 25 -6.152 -6.505 5.140
201 HE2 PHE 25 HE2 PHE 25 -5.088 -8.548 8.720
202 HZ PHE 25 HZ PHE 25 -6.418 -8.410 6.661
203 H ALA 26 H ALA 26 -0.769 -3.421 5.706
204 HA ALA 26 HA ALA 26 0.732 -1.624 7.496
205 HB1 ALA 26 HB1 ALA 26 2.223 -3.159 6.177
206 HB2 ALA 26 HB2 ALA 26 2.529 -1.436 5.964
207 HB3 ALA 26 HB3 ALA 26 1.657 -2.333 4.724
208 H ALA 27 H ALA 27 0.483 0.486 7.201
209 HA ALA 27 HA ALA 27 -1.481 1.609 5.556
210 HB1 ALA 27 HB1 ALA 27 -0.457 3.758 6.196
211 HB2 ALA 27 HB2 ALA 27 0.911 2.883 6.882
212 HB3 ALA 27 HB3 ALA 27 -0.697 2.690 7.579
213 H PHE 28 H PHE 28 -1.329 1.263 3.409
214 HA PHE 28 HA PHE 28 1.244 1.756 2.094
215 HB2 PHE 28 HB2 PHE 28 -0.796 -0.238 1.793
216 HB3 PHE 28 HB3 PHE 28 -0.646 0.645 0.290
217 HD1 PHE 28 HD1 PHE 28 1.909 1.088 -0.398
218 HD2 PHE 28 HD2 PHE 28 0.462 -2.096 2.021
219 HE1 PHE 28 HE1 PHE 28 3.890 -0.259 -0.984
220 HE2 PHE 28 HE2 PHE 28 2.422 -3.448 1.441
221 HZ PHE 28 HZ PHE 28 4.151 -2.526 -0.060
222 H GLY 29 H GLY 29 1.061 3.979 2.137
223 HA2 GLY 29 HA2 GLY 29 0.496 6.053 1.366
224 HA3 GLY 29 HA3 GLY 29 0.224 5.225 -0.154
225 H THR 30 H THR 30 -1.489 6.213 -0.900
226 HA THR 30 HA THR 30 -3.994 5.950 0.608
227 HB THR 30 HB THR 30 -4.729 8.127 -0.322
228 HG1 THR 30 HG1 THR 30 -3.597 8.709 -2.041
229 HG21 THR 30 HG21 THR 30 -3.213 9.607 1.002
230 HG22 THR 30 HG22 THR 30 -2.138 8.223 1.227
231 HG23 THR 30 HG23 THR 30 -3.773 8.188 1.890
232 H CYS 31 H CYS 31 -5.768 5.349 -0.693
233 HA CYS 31 HA CYS 31 -4.980 4.310 -3.299
234 HB2 CYS 31 HB2 CYS 31 -7.162 3.124 -3.232
235 HB3 CYS 31 HB3 CYS 31 -6.106 2.744 -1.876
236 H SER 32 H SER 32 -8.020 5.826 -2.187
237 HA SER 32 HA SER 32 -8.240 7.045 -4.849
238 HB2 SER 32 HB2 SER 32 -10.090 5.559 -3.912
239 HB3 SER 32 HB3 SER 32 -10.405 6.834 -2.744
240 HG SER 32 HG SER 32 -10.313 7.957 -5.140
241 H TRP 33 H TRP 33 -9.446 7.958 -1.642
242 HA TRP 33 HA TRP 33 -8.619 10.705 -2.121
243 HB2 TRP 33 HB2 TRP 33 -9.936 9.749 0.406
244 HB3 TRP 33 HB3 TRP 33 -10.043 11.323 -0.366
245 HD1 TRP 33 HD1 TRP 33 -12.374 8.980 0.503
246 HE1 TRP 33 HE1 TRP 33 -14.251 8.601 -1.210
247 HE3 TRP 33 HE3 TRP 33 -10.129 10.985 -3.643
248 HZ2 TRP 33 HZ2 TRP 33 -14.713 9.064 -3.938
249 HZ3 TRP 33 HZ3 TRP 33 -11.375 10.973 -5.765
250 HH2 TRP 33 HH2 TRP 33 -13.612 10.033 -5.907
251 H ARG 34 H ARG 34 -7.148 11.774 -0.793
252 HA ARG 34 HA ARG 34 -5.015 10.164 0.188
253 HB2 ARG 34 HB2 ARG 34 -4.542 12.283 -0.864
254 HB3 ARG 34 HB3 ARG 34 -5.536 13.137 0.303
255 HG2 ARG 34 HG2 ARG 34 -3.200 11.579 1.286
256 HG3 ARG 34 HG3 ARG 34 -2.931 13.121 0.490
257 HD2 ARG 34 HD2 ARG 34 -4.709 12.660 2.876
258 HD3 ARG 34 HD3 ARG 34 -3.096 13.373 2.922
259 HE ARG 34 HE ARG 34 -4.246 15.065 1.291
260 HH11 ARG 34 HH11 ARG 34 -5.585 13.615 4.185
261 HH12 ARG 34 HH12 ARG 34 -6.651 14.945 4.511
262 HH21 ARG 34 HH21 ARG 34 -5.635 16.825 1.725
263 HH22 ARG 34 HH22 ARG 34 -6.675 16.774 3.116
264 H GLN 35 H GLN 35 -7.736 11.734 1.591
265 HA GLN 35 HA GLN 35 -6.980 11.840 4.277
266 HB2 GLN 35 HB2 GLN 35 -9.416 11.837 4.747
267 HB3 GLN 35 HB3 GLN 35 -8.934 13.003 3.523
268 HG2 GLN 35 HG2 GLN 35 -9.675 11.457 1.780
269 HG3 GLN 35 HG3 GLN 35 -10.184 10.314 3.022
270 HE21 GLN 35 HE21 GLN 35 -11.994 10.783 4.272
271 HE22 GLN 35 HE22 GLN 35 -13.147 11.980 3.801
272 H LYS 36 H LYS 36 -7.613 9.094 2.365
273 HA LYS 36 HA LYS 36 -7.840 7.438 4.791
274 HB2 LYS 36 HB2 LYS 36 -8.933 5.735 3.253
275 HB3 LYS 36 HB3 LYS 36 -9.896 7.133 3.689
276 HG2 LYS 36 HG2 LYS 36 -8.962 8.100 1.450
277 HG3 LYS 36 HG3 LYS 36 -8.661 6.403 1.081
278 HD2 LYS 36 HD2 LYS 36 -11.313 7.648 1.790
279 HD3 LYS 36 HD3 LYS 36 -10.811 7.087 0.199
280 HE2 LYS 36 HE2 LYS 36 -12.027 5.287 0.868
281 HE3 LYS 36 HE3 LYS 36 -10.459 4.825 1.499
282 HZ1 LYS 36 HZ1 LYS 36 -11.150 5.680 3.636
283 HZ2 LYS 36 HZ2 LYS 36 -12.160 4.510 3.132
284 HZ3 LYS 36 HZ3 LYS 36 -12.616 6.069 3.046
285 H THR 37 H THR 37 -6.797 5.407 4.753
286 HA THR 37 HA THR 37 -4.353 5.443 3.112
287 HB THR 37 HB THR 37 -4.848 4.078 5.770
288 HG1 THR 37 HG1 THR 37 -4.745 6.554 5.530
289 HG21 THR 37 HG21 THR 37 -3.071 3.052 4.396
290 HG22 THR 37 HG22 THR 37 -2.432 3.807 5.855
291 HG23 THR 37 HG23 THR 37 -2.267 4.618 4.296
292 H CYS 38 H CYS 38 -3.671 3.542 2.064
293 HA CYS 38 HA CYS 38 -5.754 1.518 1.706
294 HB2 CYS 38 HB2 CYS 38 -4.535 2.628 -0.235
295 HB3 CYS 38 HB3 CYS 38 -3.100 1.749 0.270
296 H CYS 39 H CYS 39 -5.670 -0.267 2.957
297 HA CYS 39 HA CYS 39 -3.070 -0.981 4.145
298 HB2 CYS 39 HB2 CYS 39 -5.836 -1.150 5.341
299 HB3 CYS 39 HB3 CYS 39 -4.391 -1.813 6.093
300 H VAL 40 H VAL 40 -2.329 -2.788 3.286
301 HA VAL 40 HA VAL 40 -4.252 -4.894 2.553
302 HB VAL 40 HB VAL 40 -2.713 -4.008 0.765
303 HG11 VAL 40 HG11 VAL 40 -0.723 -3.728 2.117
304 HG12 VAL 40 HG12 VAL 40 -0.416 -4.749 0.714
305 HG13 VAL 40 HG13 VAL 40 -0.601 -5.475 2.310
306 HG21 VAL 40 HG21 VAL 40 -3.809 -6.114 0.457
307 HG22 VAL 40 HG22 VAL 40 -2.610 -6.938 1.455
308 HG23 VAL 40 HG23 VAL 40 -2.145 -6.265 -0.110
309 H ASP 41 H ASP 41 -3.959 -6.989 3.228
310 HA ASP 41 HA ASP 41 -2.618 -7.553 5.638
311 HB2 ASP 41 HB2 ASP 41 -4.466 -8.915 4.915
312 HB3 ASP 41 HB3 ASP 41 -3.643 -9.326 3.424
313 H THR 42 H THR 42 -0.503 -7.149 5.715
314 HA THR 42 HA THR 42 1.116 -7.563 3.336
315 HB THR 42 HB THR 42 2.841 -6.317 4.810
316 HG1 THR 42 HG1 THR 42 1.942 -6.450 6.814
317 HG21 THR 42 HG21 THR 42 1.538 -5.308 2.930
318 HG22 THR 42 HG22 THR 42 1.932 -4.171 4.215
319 HG23 THR 42 HG23 THR 42 0.305 -4.836 4.100
320 H THR 43 H THR 43 1.201 -9.923 3.535
321 HA THR 43 HA THR 43 3.317 -10.671 5.422
322 HB THR 43 HB THR 43 1.435 -12.024 5.932
323 HG1 THR 43 HG1 THR 43 3.134 -13.360 6.022
324 HG21 THR 43 HG21 THR 43 1.255 -12.868 3.042
325 HG22 THR 43 HG22 THR 43 0.204 -11.670 3.796
326 HG23 THR 43 HG23 THR 43 0.186 -13.342 4.361
327 H SER 44 H SER 44 2.100 -11.530 2.182
328 HA SER 44 HA SER 44 4.818 -12.190 1.351
329 HB2 SER 44 HB2 SER 44 3.629 -13.224 -0.602
330 HB3 SER 44 HB3 SER 44 3.207 -13.895 0.972
331 HG SER 44 HG SER 44 1.272 -13.558 0.098
332 H ASP 45 H ASP 45 2.004 -10.549 -0.037
333 HA ASP 45 HA ASP 45 3.499 -9.494 -2.221
334 HB2 ASP 45 HB2 ASP 45 1.086 -10.250 -2.260
335 HB3 ASP 45 HB3 ASP 45 0.690 -8.759 -1.417
336 H PHE 46 H PHE 46 3.199 -8.487 0.888
337 HA PHE 46 HA PHE 46 2.676 -5.806 0.942
338 HB2 PHE 46 HB2 PHE 46 3.773 -5.727 3.018
339 HB3 PHE 46 HB3 PHE 46 3.094 -7.336 2.844
340 HD1 PHE 46 HD1 PHE 46 5.958 -5.538 3.659
341 HD2 PHE 46 HD2 PHE 46 4.620 -9.100 1.847
342 HE1 PHE 46 HE1 PHE 46 8.159 -6.555 4.096
343 HE2 PHE 46 HE2 PHE 46 6.802 -10.165 2.268
344 HZ PHE 46 HZ PHE 46 8.590 -8.882 3.398
345 H HIS 47 H HIS 47 5.354 -7.286 -0.469
346 HA HIS 47 HA HIS 47 7.229 -5.193 -0.419
347 HB2 HIS 47 HB2 HIS 47 6.866 -7.620 -2.101
348 HB3 HIS 47 HB3 HIS 47 7.984 -6.375 -2.657
349 HD1 HIS 47 HD1 HIS 47 9.820 -5.655 -0.772
350 HD2 HIS 47 HD2 HIS 47 7.975 -9.349 -0.314
351 HE1 HIS 47 HE1 HIS 47 11.238 -6.918 0.865
352 HE2 HIS 47 HE2 HIS 47 10.232 -9.226 0.948
353 H THR 48 H THR 48 4.273 -4.930 -1.582
354 HA THR 48 HA THR 48 4.140 -4.140 -4.175
355 HB THR 48 HB THR 48 2.761 -2.847 -1.846
356 HG1 THR 48 HG1 THR 48 2.705 -5.372 -2.648
357 HG21 THR 48 HG21 THR 48 1.852 -3.136 -4.703
358 HG22 THR 48 HG22 THR 48 2.404 -1.642 -3.945
359 HG23 THR 48 HG23 THR 48 0.925 -2.422 -3.381
360 H CYS 49 H CYS 49 6.166 -2.536 -2.009
361 HA CYS 49 HA CYS 49 5.738 0.136 -2.258
362 HB2 CYS 49 HB2 CYS 49 8.054 0.512 -1.785
363 HB3 CYS 49 HB3 CYS 49 7.529 -0.910 -0.898
364 H GLN 50 H GLN 50 7.502 -1.825 -4.707
365 HA GLN 50 HA GLN 50 8.236 0.379 -6.297
366 HB2 GLN 50 HB2 GLN 50 8.841 -1.172 -7.994
367 HB3 GLN 50 HB3 GLN 50 9.257 -1.896 -6.463
368 HG2 GLN 50 HG2 GLN 50 6.789 -2.540 -8.059
369 HG3 GLN 50 HG3 GLN 50 8.277 -3.482 -8.078
370 HE21 GLN 50 HE21 GLN 50 8.844 -3.275 -5.301
371 HE22 GLN 50 HE22 GLN 50 7.651 -4.194 -4.442
372 H ASP 51 H ASP 51 5.292 -1.478 -6.118
373 HA ASP 51 HA ASP 51 4.168 -0.616 -8.591
374 HB2 ASP 51 HB2 ASP 51 3.360 -2.615 -7.345
375 HB3 ASP 51 HB3 ASP 51 2.758 -1.559 -6.074
376 H LYS 52 H LYS 52 4.190 0.559 -5.317
377 HA LYS 52 HA LYS 52 2.294 2.666 -5.707
378 HB2 LYS 52 HB2 LYS 52 4.293 2.045 -3.547
379 HB3 LYS 52 HB3 LYS 52 3.268 3.470 -3.500
380 HG2 LYS 52 HG2 LYS 52 2.230 0.653 -3.667
381 HG3 LYS 52 HG3 LYS 52 2.443 1.548 -2.165
382 HD2 LYS 52 HD2 LYS 52 0.615 2.250 -4.457
383 HD3 LYS 52 HD3 LYS 52 0.143 1.724 -2.841
384 HE2 LYS 52 HE2 LYS 52 1.505 4.311 -3.590
385 HE3 LYS 52 HE3 LYS 52 -0.142 4.109 -3.002
386 HZ1 LYS 52 HZ1 LYS 52 2.241 3.434 -1.443
387 HZ2 LYS 52 HZ2 LYS 52 0.706 3.457 -0.909
388 HZ3 LYS 52 HZ3 LYS 52 1.445 4.845 -1.320
389 H GLY 53 H GLY 53 5.623 2.248 -6.351
390 HA2 GLY 53 HA2 GLY 53 6.634 3.990 -7.795
391 HA3 GLY 53 HA3 GLY 53 5.974 5.165 -6.664
392 H GLY 54 H GLY 54 7.668 2.109 -6.136
393 HA2 GLY 54 HA2 GLY 54 9.254 3.344 -4.063
394 HA3 GLY 54 HA3 GLY 54 9.224 1.638 -4.481
395 H HIS 55 H HIS 55 11.176 4.139 -4.289
396 HA HIS 55 HA HIS 55 12.698 3.570 -6.735
397 HB2 HIS 55 HB2 HIS 55 12.839 5.824 -4.730
398 HB3 HIS 55 HB3 HIS 55 14.039 5.596 -5.997
399 HD1 HIS 55 HD1 HIS 55 13.468 6.477 -8.295
400 HD2 HIS 55 HD2 HIS 55 10.214 6.477 -5.711
401 HE1 HIS 55 HE1 HIS 55 11.659 7.745 -9.489
402 HE2 HIS 55 HE2 HIS 55 9.789 7.923 -7.806
403 H CYS 56 H CYS 56 15.172 3.695 -6.308
404 HA CYS 56 HA CYS 56 15.788 2.165 -3.876
405 HB2 CYS 56 HB2 CYS 56 16.670 1.646 -6.707
406 HB3 CYS 56 HB3 CYS 56 17.593 1.049 -5.332
407 H VAL 57 H VAL 57 17.090 3.284 -2.633
408 HA VAL 57 HA VAL 57 19.020 5.079 -3.941
409 HB VAL 57 HB VAL 57 18.866 6.587 -2.058
410 HG11 VAL 57 HG11 VAL 57 16.139 5.895 -3.115
411 HG12 VAL 57 HG12 VAL 57 17.339 6.903 -3.922
412 HG13 VAL 57 HG13 VAL 57 16.616 7.436 -2.401
413 HG21 VAL 57 HG21 VAL 57 17.152 6.281 -0.307
414 HG22 VAL 57 HG22 VAL 57 18.419 5.056 -0.260
415 HG23 VAL 57 HG23 VAL 57 16.838 4.664 -0.937
416 H SER 58 H SER 58 21.043 5.109 -3.255
417 HA SER 58 HA SER 58 22.019 2.828 -1.867
418 HB2 SER 58 HB2 SER 58 24.179 4.362 -2.275
419 HB3 SER 58 HB3 SER 58 23.449 3.417 -3.555
420 HG SER 58 HG SER 58 23.641 5.438 -4.359
421 HA PRO 59 HA PRO 59 22.559 4.349 2.256
422 HB2 PRO 59 HB2 PRO 59 25.292 3.939 2.623
423 HB3 PRO 59 HB3 PRO 59 24.025 2.746 2.909
424 HG2 PRO 59 HG2 PRO 59 25.823 3.075 0.558
425 HG3 PRO 59 HG3 PRO 59 25.191 1.592 1.294
426 HD2 PRO 59 HD2 PRO 59 24.201 2.572 -1.006
427 HD3 PRO 59 HD3 PRO 59 23.170 1.751 0.183
428 H LYS 60 H LYS 60 24.460 5.592 -0.340
429 HA LYS 60 HA LYS 60 25.531 7.811 1.178
430 HB2 LYS 60 HB2 LYS 60 25.615 7.191 -1.777
431 HB3 LYS 60 HB3 LYS 60 26.444 8.540 -1.014
432 HG2 LYS 60 HG2 LYS 60 26.949 5.617 -0.487
433 HG3 LYS 60 HG3 LYS 60 27.968 6.700 -1.434
434 HD2 LYS 60 HD2 LYS 60 27.374 6.921 1.516
435 HD3 LYS 60 HD3 LYS 60 28.893 6.400 0.791
436 HE2 LYS 60 HE2 LYS 60 27.636 9.130 0.549
437 HE3 LYS 60 HE3 LYS 60 29.039 8.714 1.526
438 HZ1 LYS 60 HZ1 LYS 60 29.758 9.681 -0.492
439 HZ2 LYS 60 HZ2 LYS 60 28.875 8.665 -1.399
440 HZ3 LYS 60 HZ3 LYS 60 30.146 8.101 -0.556
441 H ILE 61 H ILE 61 22.607 7.128 -0.387
442 HA ILE 61 HA ILE 61 22.066 9.826 -1.281
443 HB ILE 61 HB ILE 61 20.156 7.505 -0.962
444 HG12 ILE 61 HG12 ILE 61 22.071 7.070 -2.489
445 HG13 ILE 61 HG13 ILE 61 20.502 7.008 -3.280
446 HG21 ILE 61 HG21 ILE 61 19.904 10.040 -2.572
447 HG22 ILE 61 HG22 ILE 61 19.041 9.671 -1.080
448 HG23 ILE 61 HG23 ILE 61 18.736 8.720 -2.533
449 HD11 ILE 61 HD11 ILE 61 20.898 9.271 -4.151
450 HD12 ILE 61 HD12 ILE 61 22.111 8.104 -4.681
451 HD13 ILE 61 HD13 ILE 61 22.495 9.254 -3.400
452 H ARG 62 H ARG 62 20.734 11.286 -0.288
453 HA ARG 62 HA ARG 62 19.912 10.590 2.443
454 HB2 ARG 62 HB2 ARG 62 20.570 13.274 1.229
455 HB3 ARG 62 HB3 ARG 62 19.749 13.110 2.776
456 HG2 ARG 62 HG2 ARG 62 21.962 13.394 3.379
457 HG3 ARG 62 HG3 ARG 62 21.755 11.644 3.439
458 HD2 ARG 62 HD2 ARG 62 23.843 12.155 2.353
459 HD3 ARG 62 HD3 ARG 62 22.719 11.494 1.165
460 HE ARG 62 HE ARG 62 22.637 14.348 1.247
461 HH11 ARG 62 HH11 ARG 62 24.450 11.625 -0.019
462 HH12 ARG 62 HH12 ARG 62 25.105 12.527 -1.347
463 HH21 ARG 62 HH21 ARG 62 23.485 15.523 -0.503
464 HH22 ARG 62 HH22 ARG 62 24.552 14.745 -1.629
465 H CYS 63 H CYS 63 18.044 9.622 1.928
466 HA CYS 63 HA CYS 63 15.872 11.348 0.961
467 HB2 CYS 63 HB2 CYS 63 16.511 9.857 -0.875
468 HB3 CYS 63 HB3 CYS 63 16.399 8.465 0.194
469 H LEU 64 H LEU 64 13.794 10.827 1.840
470 HA LEU 64 HA LEU 64 13.909 9.472 4.391
471 HB2 LEU 64 HB2 LEU 64 11.609 10.642 2.816
472 HB3 LEU 64 HB3 LEU 64 11.410 9.867 4.373
473 HG LEU 64 HG LEU 64 11.390 12.194 4.780
474 HD11 LEU 64 HD11 LEU 64 13.313 12.555 6.204
475 HD12 LEU 64 HD12 LEU 64 14.171 11.231 5.415
476 HD13 LEU 64 HD13 LEU 64 12.724 10.901 6.368
477 HD21 LEU 64 HD21 LEU 64 13.908 12.396 3.136
478 HD22 LEU 64 HD22 LEU 64 13.167 13.716 4.039
479 HD23 LEU 64 HD23 LEU 64 12.308 12.983 2.685
480 H GLU 65 H GLU 65 14.566 7.475 3.824
481 HA GLU 65 HA GLU 65 13.192 6.031 1.731
482 HB2 GLU 65 HB2 GLU 65 15.062 4.283 2.325
483 HB3 GLU 65 HB3 GLU 65 15.411 5.701 1.355
484 HG2 GLU 65 HG2 GLU 65 17.172 5.357 2.926
485 HG3 GLU 65 HG3 GLU 65 16.306 6.823 3.352
486 H GLU 66 H GLU 66 13.039 3.627 2.079
487 HA GLU 66 HA GLU 66 12.368 1.768 3.192
488 HB2 GLU 66 HB2 GLU 66 11.882 3.492 5.622
489 HB3 GLU 66 HB3 GLU 66 11.791 1.735 5.555
490 HG2 GLU 66 HG2 GLU 66 14.210 1.804 4.785
491 HG3 GLU 66 HG3 GLU 66 14.201 3.488 5.294
492 H GLN 67 H GLN 67 10.890 2.313 1.455
493 HA GLN 67 HA GLN 67 8.235 3.172 2.126
494 HB2 GLN 67 HB2 GLN 67 9.262 3.267 -0.174
495 HB3 GLN 67 HB3 GLN 67 9.100 1.514 -0.246
496 HG2 GLN 67 HG2 GLN 67 6.760 1.622 -0.193
497 HG3 GLN 67 HG3 GLN 67 6.768 3.306 0.320
498 HE21 GLN 67 HE21 GLN 67 5.303 2.367 -1.830
499 HE22 GLN 67 HE22 GLN 67 5.927 3.110 -3.260
500 H LEU 68 H LEU 68 9.406 0.038 0.933
501 HA LEU 68 HA LEU 68 8.545 -1.446 3.168
502 HB2 LEU 68 HB2 LEU 68 6.430 -0.794 1.540
503 HB3 LEU 68 HB3 LEU 68 6.914 -2.353 0.900
504 HG LEU 68 HG LEU 68 5.351 -3.007 2.432
505 HD11 LEU 68 HD11 LEU 68 7.829 -2.846 4.135
506 HD12 LEU 68 HD12 LEU 68 7.414 -4.140 3.013
507 HD13 LEU 68 HD13 LEU 68 6.425 -3.862 4.446
508 HD21 LEU 68 HD21 LEU 68 6.258 -0.774 4.240
509 HD22 LEU 68 HD22 LEU 68 4.980 -1.930 4.615
510 HD23 LEU 68 HD23 LEU 68 4.789 -0.812 3.265
511 H GLY 69 H GLY 69 10.873 -1.920 2.538
512 HA2 GLY 69 HA2 GLY 69 11.399 -4.409 1.935
513 HA3 GLY 69 HA3 GLY 69 11.018 -3.838 0.322
514 H LEU 70 H LEU 70 13.359 -5.020 0.986
515 HA LEU 70 HA LEU 70 15.352 -2.863 0.974
516 HB2 LEU 70 HB2 LEU 70 15.347 -4.863 2.625
517 HB3 LEU 70 HB3 LEU 70 15.867 -5.813 1.256
518 HG LEU 70 HG LEU 70 17.382 -3.422 2.314
519 HD11 LEU 70 HD11 LEU 70 17.808 -6.357 2.848
520 HD12 LEU 70 HD12 LEU 70 17.268 -5.151 4.015
521 HD13 LEU 70 HD13 LEU 70 18.893 -5.055 3.336
522 HD21 LEU 70 HD21 LEU 70 19.241 -4.323 1.028
523 HD22 LEU 70 HD22 LEU 70 17.862 -3.986 -0.020
524 HD23 LEU 70 HD23 LEU 70 18.223 -5.645 0.458
525 H CYS 71 H CYS 71 16.575 -2.557 -0.835
526 HA CYS 71 HA CYS 71 15.487 -3.578 -3.273
527 HB2 CYS 71 HB2 CYS 71 17.657 -1.618 -2.604
528 HB3 CYS 71 HB3 CYS 71 17.377 -2.134 -4.262
529 HA PRO 72 HA PRO 72 18.051 -6.911 -4.608
530 HB2 PRO 72 HB2 PRO 72 19.126 -5.065 -6.709
531 HB3 PRO 72 HB3 PRO 72 18.537 -6.730 -6.868
532 HG2 PRO 72 HG2 PRO 72 17.005 -4.692 -7.606
533 HG3 PRO 72 HG3 PRO 72 16.306 -6.089 -6.765
534 HD2 PRO 72 HD2 PRO 72 16.860 -3.345 -5.749
535 HD3 PRO 72 HD3 PRO 72 15.581 -4.487 -5.289
536 H LEU 73 H LEU 73 19.756 -3.787 -4.843
537 HA LEU 73 HA LEU 73 22.299 -4.896 -4.214
538 HB2 LEU 73 HB2 LEU 73 21.298 -2.059 -4.088
539 HB3 LEU 73 HB3 LEU 73 22.974 -2.530 -3.850
540 HG LEU 73 HG LEU 73 21.449 -3.147 -6.347
541 HD11 LEU 73 HD11 LEU 73 22.612 -1.258 -7.379
542 HD12 LEU 73 HD12 LEU 73 23.259 -0.815 -5.800
543 HD13 LEU 73 HD13 LEU 73 21.523 -0.738 -6.093
544 HD21 LEU 73 HD21 LEU 73 23.395 -4.538 -5.967
545 HD22 LEU 73 HD22 LEU 73 24.385 -3.099 -5.714
546 HD23 LEU 73 HD23 LEU 73 23.688 -3.422 -7.302
547 H LYS 74 H LYS 74 23.299 -5.122 -2.365
548 HA LYS 74 HA LYS 74 21.666 -5.956 -0.254
549 HB2 LYS 74 HB2 LYS 74 24.640 -5.489 -0.305
550 HB3 LYS 74 HB3 LYS 74 23.794 -6.327 0.985
551 HG2 LYS 74 HG2 LYS 74 23.648 -7.250 -1.869
552 HG3 LYS 74 HG3 LYS 74 24.952 -7.741 -0.790
553 HD2 LYS 74 HD2 LYS 74 23.511 -9.475 -0.444
554 HD3 LYS 74 HD3 LYS 74 22.924 -8.367 0.794
555 HE2 LYS 74 HE2 LYS 74 21.178 -7.591 -0.762
556 HE3 LYS 74 HE3 LYS 74 21.761 -8.733 -1.967
557 HZ1 LYS 74 HZ1 LYS 74 19.876 -9.573 -0.727
558 HZ2 LYS 74 HZ2 LYS 74 20.703 -9.471 0.667
559 HZ3 LYS 74 HZ3 LYS 74 21.188 -10.509 -0.488
560 H ARG 75 H ARG 75 23.272 -2.893 -0.675
561 HA ARG 75 HA ARG 75 22.579 -2.201 2.097
562 HB2 ARG 75 HB2 ARG 75 24.207 -0.246 1.685
563 HB3 ARG 75 HB3 ARG 75 24.874 -1.847 1.953
564 HG2 ARG 75 HG2 ARG 75 24.394 -0.909 -0.836
565 HG3 ARG 75 HG3 ARG 75 25.800 -0.325 0.053
566 HD2 ARG 75 HD2 ARG 75 26.573 -2.577 0.400
567 HD3 ARG 75 HD3 ARG 75 25.111 -3.235 -0.327
568 HE ARG 75 HE ARG 75 26.072 -1.793 -2.347
569 HH11 ARG 75 HH11 ARG 75 27.675 -3.990 -0.151
570 HH12 ARG 75 HH12 ARG 75 28.880 -4.472 -1.303
571 HH21 ARG 75 HH21 ARG 75 27.645 -2.442 -3.888
572 HH22 ARG 75 HH22 ARG 75 28.858 -3.596 -3.432
573 H TRP 76 H TRP 76 21.082 -2.033 -0.637
574 HA TRP 76 HA TRP 76 20.494 0.833 -0.580
575 HB2 TRP 76 HB2 TRP 76 19.922 -1.311 -2.616
576 HB3 TRP 76 HB3 TRP 76 19.242 0.313 -2.720
577 HD1 TRP 76 HD1 TRP 76 22.828 -0.931 -1.971
578 HE1 TRP 76 HE1 TRP 76 24.448 0.339 -3.490
579 HE3 TRP 76 HE3 TRP 76 19.443 1.896 -4.501
580 HZ2 TRP 76 HZ2 TRP 76 24.305 2.320 -5.484
581 HZ3 TRP 76 HZ3 TRP 76 20.258 3.501 -6.169
582 HH2 TRP 76 HH2 TRP 76 22.646 3.716 -6.633
583 H THR 77 H THR 77 18.390 1.609 -0.531
584 HA THR 77 HA THR 77 16.501 -0.216 0.808
585 HB THR 77 HB THR 77 16.771 2.749 1.315
586 HG1 THR 77 HG1 THR 77 17.617 1.691 3.431
587 HG21 THR 77 HG21 THR 77 14.579 1.791 1.841
588 HG22 THR 77 HG22 THR 77 15.440 2.261 3.306
589 HG23 THR 77 HG23 THR 77 15.355 0.562 2.841
590 H CYS 78 H CYS 78 14.455 -0.281 0.049
591 HA CYS 78 HA CYS 78 13.710 1.139 -2.316
592 HB2 CYS 78 HB2 CYS 78 12.844 -1.127 -1.757
593 HB3 CYS 78 HB3 CYS 78 11.993 -0.447 -0.377
594 H CYS 79 H CYS 79 13.329 3.256 -2.249
595 HA CYS 79 HA CYS 79 12.307 4.416 0.252
596 HB2 CYS 79 HB2 CYS 79 14.435 5.294 -0.325
597 HB3 CYS 79 HB3 CYS 79 13.939 5.613 -1.990
598 H LYS 80 H LYS 80 10.590 5.758 0.286
599 HA LYS 80 HA LYS 80 8.805 5.499 -1.995
600 HB2 LYS 80 HB2 LYS 80 8.216 5.135 0.520
601 HB3 LYS 80 HB3 LYS 80 8.116 6.890 0.574
602 HG2 LYS 80 HG2 LYS 80 6.368 6.910 -1.051
603 HG3 LYS 80 HG3 LYS 80 6.577 5.186 -1.356
604 HD2 LYS 80 HD2 LYS 80 4.698 5.267 0.003
605 HD3 LYS 80 HD3 LYS 80 6.003 4.879 1.124
606 HE2 LYS 80 HE2 LYS 80 4.913 7.631 0.640
607 HE3 LYS 80 HE3 LYS 80 4.424 6.587 1.969
608 HZ1 LYS 80 HZ1 LYS 80 6.051 8.031 2.789
609 HZ2 LYS 80 HZ2 LYS 80 7.054 7.794 1.536
610 HZ3 LYS 80 HZ3 LYS 80 6.812 6.602 2.614
611 H GLU 81 H GLU 81 9.517 6.893 -3.487
612 HA GLU 81 HA GLU 81 9.838 8.799 -4.623
613 HB2 GLU 81 HB2 GLU 81 7.971 9.764 -2.493
614 HB3 GLU 81 HB3 GLU 81 8.620 10.866 -3.703
615 HG2 GLU 81 HG2 GLU 81 7.027 8.376 -4.241
616 HG3 GLU 81 HG3 GLU 81 6.465 10.038 -4.370
617 H ILE 82 H ILE 82 11.636 9.733 -4.831
618 HA ILE 82 HA ILE 82 13.250 10.497 -2.540
619 HB ILE 82 HB ILE 82 13.913 10.706 -5.487
620 HG12 ILE 82 HG12 ILE 82 14.672 8.529 -3.524
621 HG13 ILE 82 HG13 ILE 82 13.405 8.377 -4.738
622 HG21 ILE 82 HG21 ILE 82 15.667 10.790 -3.031
623 HG22 ILE 82 HG22 ILE 82 15.297 12.140 -4.103
624 HG23 ILE 82 HG23 ILE 82 16.245 10.777 -4.697
625 HD11 ILE 82 HD11 ILE 82 15.057 8.659 -6.502
626 HD12 ILE 82 HD12 ILE 82 15.466 7.304 -5.449
627 HD13 ILE 82 HD13 ILE 82 16.326 8.836 -5.292
Start of MODEL 9
1 H1 LEU 1 H1 LEU 1 -19.037 3.295 -4.313
2 H2 LEU 1 H2 LEU 1 -18.321 3.753 -5.697
3 H3 LEU 1 H3 LEU 1 -18.625 4.853 -4.539
4 HA LEU 1 HA LEU 1 -17.080 3.827 -3.051
5 HB2 LEU 1 HB2 LEU 1 -17.512 1.580 -4.382
6 HB3 LEU 1 HB3 LEU 1 -16.163 2.142 -5.339
7 HG LEU 1 HG LEU 1 -14.747 2.180 -3.355
8 HD11 LEU 1 HD11 LEU 1 -15.535 1.082 -1.290
9 HD12 LEU 1 HD12 LEU 1 -17.161 1.024 -1.970
10 HD13 LEU 1 HD13 LEU 1 -16.400 2.577 -1.635
11 HD21 LEU 1 HD21 LEU 1 -14.565 -0.245 -3.078
12 HD22 LEU 1 HD22 LEU 1 -14.784 0.208 -4.767
13 HD23 LEU 1 HD23 LEU 1 -16.139 -0.444 -3.846
14 HA PRO 2 HA PRO 2 -14.443 6.943 -4.773
15 HB2 PRO 2 HB2 PRO 2 -12.259 5.661 -3.213
16 HB3 PRO 2 HB3 PRO 2 -12.846 7.322 -3.167
17 HG2 PRO 2 HG2 PRO 2 -13.421 5.643 -1.193
18 HG3 PRO 2 HG3 PRO 2 -14.647 6.793 -1.794
19 HD2 PRO 2 HD2 PRO 2 -14.350 3.863 -2.369
20 HD3 PRO 2 HD3 PRO 2 -15.818 4.792 -2.015
21 H ARG 3 H ARG 3 -12.721 7.247 -6.228
22 HA ARG 3 HA ARG 3 -12.852 5.643 -8.409
23 HB2 ARG 3 HB2 ARG 3 -11.945 7.930 -8.426
24 HB3 ARG 3 HB3 ARG 3 -10.487 7.351 -7.633
25 HG2 ARG 3 HG2 ARG 3 -10.196 5.800 -9.628
26 HG3 ARG 3 HG3 ARG 3 -11.434 6.774 -10.421
27 HD2 ARG 3 HD2 ARG 3 -10.066 8.770 -10.119
28 HD3 ARG 3 HD3 ARG 3 -8.839 7.816 -9.291
29 HE ARG 3 HE ARG 3 -9.563 7.465 -12.131
30 HH11 ARG 3 HH11 ARG 3 -7.218 7.357 -9.529
31 HH12 ARG 3 HH12 ARG 3 -5.873 7.080 -10.588
32 HH21 ARG 3 HH21 ARG 3 -7.802 7.048 -13.516
33 HH22 ARG 3 HH22 ARG 3 -6.210 6.866 -12.853
34 H ASP 4 H ASP 4 -10.190 5.531 -6.035
35 HA ASP 4 HA ASP 4 -9.126 3.253 -7.555
36 HB2 ASP 4 HB2 ASP 4 -7.759 5.181 -5.691
37 HB3 ASP 4 HB3 ASP 4 -6.987 3.728 -6.318
38 H THR 5 H THR 5 -11.104 3.558 -5.078
39 HA THR 5 HA THR 5 -9.842 1.897 -3.133
40 HB THR 5 HB THR 5 -12.778 2.479 -3.558
41 HG1 THR 5 HG1 THR 5 -11.772 3.628 -1.386
42 HG21 THR 5 HG21 THR 5 -13.068 1.723 -1.254
43 HG22 THR 5 HG22 THR 5 -11.353 1.319 -1.161
44 HG23 THR 5 HG23 THR 5 -12.411 0.428 -2.256
45 H SER 6 H SER 6 -12.145 1.327 -5.777
46 HA SER 6 HA SER 6 -12.371 -1.463 -5.354
47 HB2 SER 6 HB2 SER 6 -13.989 -0.109 -6.661
48 HB3 SER 6 HB3 SER 6 -12.779 0.077 -7.925
49 HG SER 6 HG SER 6 -12.981 -2.511 -7.386
50 H ARG 7 H ARG 7 -9.997 0.533 -6.849
51 HA ARG 7 HA ARG 7 -8.669 -1.599 -8.254
52 HB2 ARG 7 HB2 ARG 7 -8.406 0.635 -9.127
53 HB3 ARG 7 HB3 ARG 7 -7.831 1.229 -7.575
54 HG2 ARG 7 HG2 ARG 7 -6.185 -0.946 -8.488
55 HG3 ARG 7 HG3 ARG 7 -6.296 0.310 -9.724
56 HD2 ARG 7 HD2 ARG 7 -5.641 0.893 -6.844
57 HD3 ARG 7 HD3 ARG 7 -4.407 0.505 -8.039
58 HE ARG 7 HE ARG 7 -6.221 2.765 -8.528
59 HH11 ARG 7 HH11 ARG 7 -2.991 1.537 -7.939
60 HH12 ARG 7 HH12 ARG 7 -2.219 3.059 -8.245
61 HH21 ARG 7 HH21 ARG 7 -5.210 4.759 -8.936
62 HH22 ARG 7 HH22 ARG 7 -3.477 4.892 -8.819
63 H CYS 8 H CYS 8 -8.188 0.211 -5.260
64 HA CYS 8 HA CYS 8 -5.667 -0.942 -4.689
65 HB2 CYS 8 HB2 CYS 8 -6.876 1.251 -3.766
66 HB3 CYS 8 HB3 CYS 8 -7.351 0.136 -2.499
67 H VAL 9 H VAL 9 -8.961 -1.709 -3.729
68 HA VAL 9 HA VAL 9 -8.503 -3.247 -1.488
69 HB VAL 9 HB VAL 9 -10.726 -2.550 -2.153
70 HG11 VAL 9 HG11 VAL 9 -11.928 -3.619 -3.980
71 HG12 VAL 9 HG12 VAL 9 -10.482 -4.539 -4.395
72 HG13 VAL 9 HG13 VAL 9 -10.483 -2.781 -4.555
73 HG21 VAL 9 HG21 VAL 9 -10.579 -4.457 -0.650
74 HG22 VAL 9 HG22 VAL 9 -10.499 -5.557 -2.026
75 HG23 VAL 9 HG23 VAL 9 -11.967 -4.627 -1.726
76 H GLY 10 H GLY 10 -8.149 -4.183 -4.855
77 HA2 GLY 10 HA2 GLY 10 -7.658 -6.957 -4.116
78 HA3 GLY 10 HA3 GLY 10 -7.674 -6.300 -5.745
79 H TYR 11 H TYR 11 -5.854 -4.080 -4.689
80 HA TYR 11 HA TYR 11 -3.416 -5.565 -5.281
81 HB2 TYR 11 HB2 TYR 11 -4.137 -2.655 -5.453
82 HB3 TYR 11 HB3 TYR 11 -2.469 -3.201 -5.546
83 HD1 TYR 11 HD1 TYR 11 -2.792 -5.690 -7.135
84 HD2 TYR 11 HD2 TYR 11 -4.576 -1.858 -7.592
85 HE1 TYR 11 HE1 TYR 11 -3.052 -6.107 -9.538
86 HE2 TYR 11 HE2 TYR 11 -4.846 -2.265 -10.001
87 HH TYR 11 HH TYR 11 -3.705 -3.708 -11.760
88 H HIS 12 H HIS 12 -4.250 -2.808 -3.149
89 HA HIS 12 HA HIS 12 -2.017 -3.677 -1.426
90 HB2 HIS 12 HB2 HIS 12 -2.898 -0.834 -1.355
91 HB3 HIS 12 HB3 HIS 12 -1.291 -1.515 -1.147
92 HD1 HIS 12 HD1 HIS 12 -3.041 0.571 -3.343
93 HD2 HIS 12 HD2 HIS 12 -0.403 -2.589 -3.900
94 HE1 HIS 12 HE1 HIS 12 -2.200 0.804 -5.698
95 HE2 HIS 12 HE2 HIS 12 -0.421 -0.965 -5.921
96 H GLY 13 H GLY 13 -5.132 -3.997 -1.418
97 HA2 GLY 13 HA2 GLY 13 -6.189 -4.803 0.564
98 HA3 GLY 13 HA3 GLY 13 -5.218 -3.675 1.497
99 H TYR 14 H TYR 14 -7.359 -3.241 2.482
100 HA TYR 14 HA TYR 14 -9.311 -1.882 0.821
101 HB2 TYR 14 HB2 TYR 14 -10.600 -1.723 2.980
102 HB3 TYR 14 HB3 TYR 14 -10.227 -3.359 2.456
103 HD1 TYR 14 HD1 TYR 14 -9.115 -4.838 3.888
104 HD2 TYR 14 HD2 TYR 14 -9.101 -0.680 4.770
105 HE1 TYR 14 HE1 TYR 14 -8.111 -5.311 6.080
106 HE2 TYR 14 HE2 TYR 14 -8.096 -1.138 6.965
107 HH TYR 14 HH TYR 14 -6.851 -4.244 7.790
108 H CYS 15 H CYS 15 -10.339 0.141 2.146
109 HA CYS 15 HA CYS 15 -8.060 1.957 2.564
110 HB2 CYS 15 HB2 CYS 15 -10.592 2.591 1.043
111 HB3 CYS 15 HB3 CYS 15 -9.232 3.674 1.304
112 H ILE 16 H ILE 16 -8.259 2.097 4.776
113 HA ILE 16 HA ILE 16 -10.831 2.920 5.885
114 HB ILE 16 HB ILE 16 -9.708 2.760 8.101
115 HG12 ILE 16 HG12 ILE 16 -7.414 1.651 6.475
116 HG13 ILE 16 HG13 ILE 16 -7.399 3.140 7.407
117 HG21 ILE 16 HG21 ILE 16 -11.026 0.932 7.315
118 HG22 ILE 16 HG22 ILE 16 -9.588 0.286 8.105
119 HG23 ILE 16 HG23 ILE 16 -9.688 0.323 6.344
120 HD11 ILE 16 HD11 ILE 16 -6.240 1.360 8.574
121 HD12 ILE 16 HD12 ILE 16 -7.694 0.363 8.529
122 HD13 ILE 16 HD13 ILE 16 -7.679 1.859 9.463
123 H ARG 17 H ARG 17 -10.422 4.664 7.781
124 HA ARG 17 HA ARG 17 -9.789 6.996 6.231
125 HB2 ARG 17 HB2 ARG 17 -11.747 6.965 7.695
126 HB3 ARG 17 HB3 ARG 17 -10.713 6.740 9.100
127 HG2 ARG 17 HG2 ARG 17 -9.695 8.932 8.694
128 HG3 ARG 17 HG3 ARG 17 -10.753 9.156 7.300
129 HD2 ARG 17 HD2 ARG 17 -12.706 9.061 8.740
130 HD3 ARG 17 HD3 ARG 17 -11.682 8.756 10.141
131 HE ARG 17 HE ARG 17 -10.751 11.108 9.103
132 HH11 ARG 17 HH11 ARG 17 -13.854 9.954 10.234
133 HH12 ARG 17 HH12 ARG 17 -14.396 11.524 10.741
134 HH21 ARG 17 HH21 ARG 17 -11.435 13.165 9.813
135 HH22 ARG 17 HH22 ARG 17 -13.009 13.350 10.519
136 H SER 18 H SER 18 -8.097 5.115 8.632
137 HA SER 18 HA SER 18 -6.011 7.170 8.650
138 HB2 SER 18 HB2 SER 18 -7.394 7.473 10.659
139 HB3 SER 18 HB3 SER 18 -7.098 5.811 11.119
140 HG SER 18 HG SER 18 -5.426 8.034 11.240
141 H LYS 19 H LYS 19 -4.098 6.179 10.055
142 HA LYS 19 HA LYS 19 -3.239 3.908 8.482
143 HB2 LYS 19 HB2 LYS 19 -1.720 5.534 10.525
144 HB3 LYS 19 HB3 LYS 19 -1.035 4.442 9.335
145 HG2 LYS 19 HG2 LYS 19 -0.671 6.617 8.569
146 HG3 LYS 19 HG3 LYS 19 -1.941 5.962 7.557
147 HD2 LYS 19 HD2 LYS 19 -3.595 7.199 8.867
148 HD3 LYS 19 HD3 LYS 19 -2.315 7.829 9.903
149 HE2 LYS 19 HE2 LYS 19 -2.585 8.313 6.942
150 HE3 LYS 19 HE3 LYS 19 -3.037 9.451 8.208
151 HZ1 LYS 19 HZ1 LYS 19 -0.893 10.000 7.412
152 HZ2 LYS 19 HZ2 LYS 19 -0.335 8.488 7.606
153 HZ3 LYS 19 HZ3 LYS 19 -0.699 9.389 8.910
154 H VAL 20 H VAL 20 -5.126 3.899 10.828
155 HA VAL 20 HA VAL 20 -3.910 2.416 12.947
156 HB VAL 20 HB VAL 20 -6.849 2.286 12.349
157 HG11 VAL 20 HG11 VAL 20 -6.006 0.984 14.233
158 HG12 VAL 20 HG12 VAL 20 -7.041 2.302 14.786
159 HG13 VAL 20 HG13 VAL 20 -5.288 2.438 14.927
160 HG21 VAL 20 HG21 VAL 20 -7.175 4.413 13.462
161 HG22 VAL 20 HG22 VAL 20 -6.160 4.610 12.034
162 HG23 VAL 20 HG23 VAL 20 -5.431 4.609 13.640
163 H CYS 21 H CYS 21 -3.358 1.250 10.365
164 HA CYS 21 HA CYS 21 -4.895 -0.980 9.725
165 HB2 CYS 21 HB2 CYS 21 -1.893 -0.720 9.505
166 HB3 CYS 21 HB3 CYS 21 -2.940 -1.754 8.534
167 HA PRO 22 HA PRO 22 -4.037 -3.689 13.195
168 HB2 PRO 22 HB2 PRO 22 -5.237 -5.893 12.170
169 HB3 PRO 22 HB3 PRO 22 -6.155 -4.544 12.848
170 HG2 PRO 22 HG2 PRO 22 -5.563 -5.187 9.989
171 HG3 PRO 22 HG3 PRO 22 -7.078 -4.625 10.719
172 HD2 PRO 22 HD2 PRO 22 -5.376 -2.977 9.390
173 HD3 PRO 22 HD3 PRO 22 -6.402 -2.427 10.729
174 H LYS 23 H LYS 23 -3.232 -6.168 13.202
175 HA LYS 23 HA LYS 23 -1.080 -6.321 11.210
176 HB2 LYS 23 HB2 LYS 23 -1.075 -7.378 14.038
177 HB3 LYS 23 HB3 LYS 23 0.277 -7.428 12.913
178 HG2 LYS 23 HG2 LYS 23 -0.930 -5.039 14.275
179 HG3 LYS 23 HG3 LYS 23 0.724 -5.644 14.380
180 HD2 LYS 23 HD2 LYS 23 1.163 -4.995 12.108
181 HD3 LYS 23 HD3 LYS 23 -0.534 -4.574 11.864
182 HE2 LYS 23 HE2 LYS 23 0.727 -2.556 12.174
183 HE3 LYS 23 HE3 LYS 23 -0.299 -2.812 13.584
184 HZ1 LYS 23 HZ1 LYS 23 1.921 -2.143 14.189
185 HZ2 LYS 23 HZ2 LYS 23 2.565 -3.434 13.440
186 HZ3 LYS 23 HZ3 LYS 23 1.620 -3.644 14.747
187 HA PRO 24 HA PRO 24 0.266 -7.486 10.402
188 HB2 PRO 24 HB2 PRO 24 0.794 -8.966 8.252
189 HB3 PRO 24 HB3 PRO 24 1.195 -9.540 9.875
190 HG2 PRO 24 HG2 PRO 24 -1.077 -10.297 8.094
191 HG3 PRO 24 HG3 PRO 24 -0.117 -11.316 9.179
192 HD2 PRO 24 HD2 PRO 24 -2.629 -10.268 9.754
193 HD3 PRO 24 HD3 PRO 24 -1.471 -10.859 10.957
194 H PHE 25 H PHE 25 -0.642 -5.567 9.671
195 HA PHE 25 HA PHE 25 -1.344 -5.531 6.841
196 HB2 PHE 25 HB2 PHE 25 -3.074 -4.347 9.026
197 HB3 PHE 25 HB3 PHE 25 -3.163 -3.809 7.358
198 HD1 PHE 25 HD1 PHE 25 -4.781 -4.728 6.040
199 HD2 PHE 25 HD2 PHE 25 -3.304 -6.966 9.343
200 HE1 PHE 25 HE1 PHE 25 -6.446 -6.481 5.594
201 HE2 PHE 25 HE2 PHE 25 -4.967 -8.722 8.901
202 HZ PHE 25 HZ PHE 25 -6.532 -8.473 7.027
203 H ALA 26 H ALA 26 -0.698 -3.630 5.822
204 HA ALA 26 HA ALA 26 0.779 -1.771 7.576
205 HB1 ALA 26 HB1 ALA 26 2.481 -1.517 5.915
206 HB2 ALA 26 HB2 ALA 26 1.570 -2.488 4.761
207 HB3 ALA 26 HB3 ALA 26 2.255 -3.245 6.199
208 H ALA 27 H ALA 27 0.365 0.327 7.377
209 HA ALA 27 HA ALA 27 -1.594 1.439 5.733
210 HB1 ALA 27 HB1 ALA 27 -0.860 2.537 7.761
211 HB2 ALA 27 HB2 ALA 27 -0.574 3.607 6.387
212 HB3 ALA 27 HB3 ALA 27 0.768 2.722 7.109
213 H PHE 28 H PHE 28 -1.324 0.893 3.610
214 HA PHE 28 HA PHE 28 1.220 1.464 2.311
215 HB2 PHE 28 HB2 PHE 28 -0.916 -0.457 1.922
216 HB3 PHE 28 HB3 PHE 28 -0.574 0.405 0.431
217 HD1 PHE 28 HD1 PHE 28 2.156 0.766 0.211
218 HD2 PHE 28 HD2 PHE 28 0.117 -2.472 2.050
219 HE1 PHE 28 HE1 PHE 28 4.106 -0.687 -0.197
220 HE2 PHE 28 HE2 PHE 28 2.049 -3.934 1.651
221 HZ PHE 28 HZ PHE 28 4.055 -3.040 0.528
222 H GLY 29 H GLY 29 1.074 3.684 2.359
223 HA2 GLY 29 HA2 GLY 29 0.587 5.761 1.553
224 HA3 GLY 29 HA3 GLY 29 0.325 4.922 0.039
225 H THR 30 H THR 30 -1.387 5.816 -0.787
226 HA THR 30 HA THR 30 -3.906 5.582 0.675
227 HB THR 30 HB THR 30 -4.644 7.782 -0.200
228 HG1 THR 30 HG1 THR 30 -2.156 8.752 -0.780
229 HG21 THR 30 HG21 THR 30 -3.761 7.815 2.039
230 HG22 THR 30 HG22 THR 30 -3.154 9.248 1.203
231 HG23 THR 30 HG23 THR 30 -2.104 7.848 1.436
232 H CYS 31 H CYS 31 -5.598 4.898 -0.677
233 HA CYS 31 HA CYS 31 -4.810 3.930 -3.253
234 HB2 CYS 31 HB2 CYS 31 -7.219 3.158 -3.338
235 HB3 CYS 31 HB3 CYS 31 -6.236 2.506 -2.033
236 H SER 32 H SER 32 -7.692 5.844 -2.374
237 HA SER 32 HA SER 32 -7.485 7.093 -5.028
238 HB2 SER 32 HB2 SER 32 -9.552 5.709 -4.340
239 HB3 SER 32 HB3 SER 32 -9.948 7.064 -3.287
240 HG SER 32 HG SER 32 -9.363 8.036 -5.693
241 H TRP 33 H TRP 33 -9.022 8.003 -1.962
242 HA TRP 33 HA TRP 33 -8.039 10.717 -2.302
243 HB2 TRP 33 HB2 TRP 33 -9.689 9.768 0.027
244 HB3 TRP 33 HB3 TRP 33 -9.619 11.371 -0.693
245 HD1 TRP 33 HD1 TRP 33 -12.182 9.193 -0.202
246 HE1 TRP 33 HE1 TRP 33 -13.834 8.958 -2.150
247 HE3 TRP 33 HE3 TRP 33 -9.268 11.041 -3.987
248 HZ2 TRP 33 HZ2 TRP 33 -13.895 9.456 -4.914
249 HZ3 TRP 33 HZ3 TRP 33 -10.218 11.108 -6.260
250 HH2 TRP 33 HH2 TRP 33 -12.475 10.338 -6.708
251 H ARG 34 H ARG 34 -6.616 11.689 -0.902
252 HA ARG 34 HA ARG 34 -4.721 10.016 0.382
253 HB2 ARG 34 HB2 ARG 34 -4.036 12.110 -0.595
254 HB3 ARG 34 HB3 ARG 34 -5.143 13.004 0.435
255 HG2 ARG 34 HG2 ARG 34 -3.136 11.359 1.825
256 HG3 ARG 34 HG3 ARG 34 -2.532 12.740 0.925
257 HD2 ARG 34 HD2 ARG 34 -4.655 12.796 3.059
258 HD3 ARG 34 HD3 ARG 34 -2.992 13.353 3.236
259 HE ARG 34 HE ARG 34 -4.262 14.693 1.086
260 HH11 ARG 34 HH11 ARG 34 -4.150 14.608 4.583
261 HH12 ARG 34 HH12 ARG 34 -4.636 16.261 4.767
262 HH21 ARG 34 HH21 ARG 34 -4.894 16.879 1.331
263 HH22 ARG 34 HH22 ARG 34 -5.055 17.551 2.921
264 H GLN 35 H GLN 35 -7.562 11.606 1.364
265 HA GLN 35 HA GLN 35 -7.318 11.817 4.113
266 HB2 GLN 35 HB2 GLN 35 -9.807 10.937 2.652
267 HB3 GLN 35 HB3 GLN 35 -9.719 11.767 4.199
268 HG2 GLN 35 HG2 GLN 35 -8.614 13.664 2.944
269 HG3 GLN 35 HG3 GLN 35 -9.117 12.844 1.472
270 HE21 GLN 35 HE21 GLN 35 -11.589 11.867 2.705
271 HE22 GLN 35 HE22 GLN 35 -12.645 13.232 2.785
272 H LYS 36 H LYS 36 -7.604 8.989 2.169
273 HA LYS 36 HA LYS 36 -7.982 7.352 4.588
274 HB2 LYS 36 HB2 LYS 36 -8.958 5.633 3.023
275 HB3 LYS 36 HB3 LYS 36 -9.929 7.073 3.265
276 HG2 LYS 36 HG2 LYS 36 -8.523 7.816 1.098
277 HG3 LYS 36 HG3 LYS 36 -8.579 6.071 0.851
278 HD2 LYS 36 HD2 LYS 36 -10.952 7.882 1.283
279 HD3 LYS 36 HD3 LYS 36 -10.445 7.193 -0.257
280 HE2 LYS 36 HE2 LYS 36 -12.048 5.689 0.310
281 HE3 LYS 36 HE3 LYS 36 -10.663 4.938 1.096
282 HZ1 LYS 36 HZ1 LYS 36 -12.536 5.031 2.568
283 HZ2 LYS 36 HZ2 LYS 36 -12.640 6.646 2.425
284 HZ3 LYS 36 HZ3 LYS 36 -11.349 5.983 3.151
285 H THR 37 H THR 37 -6.853 5.429 4.751
286 HA THR 37 HA THR 37 -4.365 5.347 3.184
287 HB THR 37 HB THR 37 -4.960 4.258 5.951
288 HG1 THR 37 HG1 THR 37 -4.560 6.688 5.336
289 HG21 THR 37 HG21 THR 37 -3.280 2.914 4.751
290 HG22 THR 37 HG22 THR 37 -2.568 3.796 6.100
291 HG23 THR 37 HG23 THR 37 -2.339 4.373 4.448
292 H CYS 38 H CYS 38 -3.676 3.372 2.299
293 HA CYS 38 HA CYS 38 -5.818 1.408 1.983
294 HB2 CYS 38 HB2 CYS 38 -4.505 2.441 0.044
295 HB3 CYS 38 HB3 CYS 38 -3.151 1.454 0.575
296 H CYS 39 H CYS 39 -5.771 -0.472 3.108
297 HA CYS 39 HA CYS 39 -3.221 -1.191 4.401
298 HB2 CYS 39 HB2 CYS 39 -5.999 -1.355 5.574
299 HB3 CYS 39 HB3 CYS 39 -4.537 -1.952 6.349
300 H VAL 40 H VAL 40 -2.505 -3.016 3.582
301 HA VAL 40 HA VAL 40 -4.447 -5.157 2.972
302 HB VAL 40 HB VAL 40 -3.051 -4.220 1.059
303 HG11 VAL 40 HG11 VAL 40 -0.852 -5.750 2.412
304 HG12 VAL 40 HG12 VAL 40 -0.958 -3.998 2.241
305 HG13 VAL 40 HG13 VAL 40 -0.783 -5.013 0.809
306 HG21 VAL 40 HG21 VAL 40 -2.906 -7.170 1.646
307 HG22 VAL 40 HG22 VAL 40 -2.657 -6.432 0.062
308 HG23 VAL 40 HG23 VAL 40 -4.229 -6.316 0.851
309 H ASP 41 H ASP 41 -3.905 -7.296 3.604
310 HA ASP 41 HA ASP 41 -2.475 -7.563 5.996
311 HB2 ASP 41 HB2 ASP 41 -2.838 -10.008 5.507
312 HB3 ASP 41 HB3 ASP 41 -4.283 -9.037 5.603
313 H THR 42 H THR 42 -0.373 -7.038 5.891
314 HA THR 42 HA THR 42 1.167 -7.691 3.536
315 HB THR 42 HB THR 42 2.960 -6.395 4.893
316 HG1 THR 42 HG1 THR 42 2.346 -5.839 6.830
317 HG21 THR 42 HG21 THR 42 2.064 -4.288 4.150
318 HG22 THR 42 HG22 THR 42 0.429 -4.942 4.110
319 HG23 THR 42 HG23 THR 42 1.638 -5.519 2.964
320 H THR 43 H THR 43 1.214 -10.002 3.838
321 HA THR 43 HA THR 43 3.328 -10.751 5.720
322 HB THR 43 HB THR 43 1.345 -11.966 6.263
323 HG1 THR 43 HG1 THR 43 2.975 -13.805 4.834
324 HG21 THR 43 HG21 THR 43 0.250 -11.781 4.025
325 HG22 THR 43 HG22 THR 43 0.122 -13.369 4.778
326 HG23 THR 43 HG23 THR 43 1.277 -13.107 3.475
327 H SER 44 H SER 44 2.120 -11.844 2.519
328 HA SER 44 HA SER 44 4.876 -12.448 1.739
329 HB2 SER 44 HB2 SER 44 2.374 -13.110 0.220
330 HB3 SER 44 HB3 SER 44 3.969 -13.823 0.022
331 HG SER 44 HG SER 44 2.545 -15.166 1.233
332 H ASP 45 H ASP 45 2.011 -10.788 0.479
333 HA ASP 45 HA ASP 45 3.369 -9.938 -1.899
334 HB2 ASP 45 HB2 ASP 45 0.982 -10.668 -1.843
335 HB3 ASP 45 HB3 ASP 45 0.600 -9.202 -0.946
336 H PHE 46 H PHE 46 3.233 -8.728 1.164
337 HA PHE 46 HA PHE 46 2.865 -6.031 0.979
338 HB2 PHE 46 HB2 PHE 46 4.324 -5.781 2.918
339 HB3 PHE 46 HB3 PHE 46 3.158 -7.076 3.108
340 HD1 PHE 46 HD1 PHE 46 5.008 -8.831 1.185
341 HD2 PHE 46 HD2 PHE 46 5.551 -6.713 4.808
342 HE1 PHE 46 HE1 PHE 46 6.827 -10.369 1.786
343 HE2 PHE 46 HE2 PHE 46 7.385 -8.221 5.433
344 HZ PHE 46 HZ PHE 46 8.039 -10.056 3.919
345 H HIS 47 H HIS 47 5.465 -7.765 -0.374
346 HA HIS 47 HA HIS 47 7.426 -5.791 -0.621
347 HB2 HIS 47 HB2 HIS 47 6.772 -8.241 -2.186
348 HB3 HIS 47 HB3 HIS 47 7.940 -7.099 -2.845
349 HD1 HIS 47 HD1 HIS 47 10.034 -6.571 -1.211
350 HD2 HIS 47 HD2 HIS 47 7.795 -9.961 -0.342
351 HE1 HIS 47 HE1 HIS 47 11.468 -7.950 0.321
352 HE2 HIS 47 HE2 HIS 47 10.177 -10.085 0.656
353 H THR 48 H THR 48 4.392 -5.520 -1.644
354 HA THR 48 HA THR 48 4.146 -4.595 -4.169
355 HB THR 48 HB THR 48 2.934 -3.739 -1.579
356 HG1 THR 48 HG1 THR 48 2.526 -5.861 -2.527
357 HG21 THR 48 HG21 THR 48 1.183 -2.546 -2.740
358 HG22 THR 48 HG22 THR 48 1.951 -2.874 -4.293
359 HG23 THR 48 HG23 THR 48 2.750 -1.823 -3.118
360 H CYS 49 H CYS 49 6.252 -3.140 -1.944
361 HA CYS 49 HA CYS 49 5.871 -0.485 -1.886
362 HB2 CYS 49 HB2 CYS 49 8.206 -0.159 -1.535
363 HB3 CYS 49 HB3 CYS 49 7.775 -1.718 -0.845
364 H GLN 50 H GLN 50 7.356 -2.097 -4.731
365 HA GLN 50 HA GLN 50 8.121 0.204 -6.079
366 HB2 GLN 50 HB2 GLN 50 7.935 -1.160 -8.161
367 HB3 GLN 50 HB3 GLN 50 8.894 -1.889 -6.892
368 HG2 GLN 50 HG2 GLN 50 6.016 -2.604 -7.367
369 HG3 GLN 50 HG3 GLN 50 7.352 -3.417 -8.181
370 HE21 GLN 50 HE21 GLN 50 5.395 -4.498 -6.309
371 HE22 GLN 50 HE22 GLN 50 6.305 -5.128 -4.971
372 H ASP 51 H ASP 51 4.920 -1.213 -5.808
373 HA ASP 51 HA ASP 51 3.807 0.345 -7.963
374 HB2 ASP 51 HB2 ASP 51 2.959 -1.912 -7.110
375 HB3 ASP 51 HB3 ASP 51 2.234 -1.014 -5.781
376 H LYS 52 H LYS 52 4.336 0.751 -4.589
377 HA LYS 52 HA LYS 52 2.565 2.928 -4.109
378 HB2 LYS 52 HB2 LYS 52 4.830 1.609 -2.767
379 HB3 LYS 52 HB3 LYS 52 4.642 3.307 -2.383
380 HG2 LYS 52 HG2 LYS 52 2.448 1.283 -2.124
381 HG3 LYS 52 HG3 LYS 52 3.548 1.723 -0.826
382 HD2 LYS 52 HD2 LYS 52 1.639 3.566 -2.265
383 HD3 LYS 52 HD3 LYS 52 1.471 2.970 -0.616
384 HE2 LYS 52 HE2 LYS 52 3.695 4.758 -1.613
385 HE3 LYS 52 HE3 LYS 52 2.295 5.290 -0.697
386 HZ1 LYS 52 HZ1 LYS 52 3.074 3.857 1.098
387 HZ2 LYS 52 HZ2 LYS 52 4.142 5.030 0.736
388 HZ3 LYS 52 HZ3 LYS 52 4.416 3.500 0.246
389 H GLY 53 H GLY 53 5.107 2.701 -6.179
390 HA2 GLY 53 HA2 GLY 53 6.360 4.377 -7.221
391 HA3 GLY 53 HA3 GLY 53 5.830 5.515 -5.977
392 H GLY 54 H GLY 54 7.209 2.315 -5.559
393 HA2 GLY 54 HA2 GLY 54 8.775 2.951 -3.368
394 HA3 GLY 54 HA3 GLY 54 9.052 1.568 -4.411
395 H HIS 55 H HIS 55 10.383 4.251 -3.179
396 HA HIS 55 HA HIS 55 11.773 5.178 -5.534
397 HB2 HIS 55 HB2 HIS 55 11.771 6.038 -2.654
398 HB3 HIS 55 HB3 HIS 55 12.893 6.719 -3.828
399 HD1 HIS 55 HD1 HIS 55 11.934 8.360 -5.567
400 HD2 HIS 55 HD2 HIS 55 9.093 6.823 -2.949
401 HE1 HIS 55 HE1 HIS 55 9.877 9.769 -5.893
402 HE2 HIS 55 HE2 HIS 55 8.126 8.713 -4.424
403 H CYS 56 H CYS 56 14.031 5.243 -5.712
404 HA CYS 56 HA CYS 56 15.385 3.104 -4.224
405 HB2 CYS 56 HB2 CYS 56 15.512 3.747 -7.171
406 HB3 CYS 56 HB3 CYS 56 16.705 2.734 -6.364
407 H VAL 57 H VAL 57 16.888 3.963 -2.980
408 HA VAL 57 HA VAL 57 18.399 6.232 -4.079
409 HB VAL 57 HB VAL 57 18.638 7.169 -1.851
410 HG11 VAL 57 HG11 VAL 57 15.767 6.675 -2.587
411 HG12 VAL 57 HG12 VAL 57 16.813 7.925 -3.259
412 HG13 VAL 57 HG13 VAL 57 16.362 7.975 -1.554
413 HG21 VAL 57 HG21 VAL 57 17.295 6.343 0.026
414 HG22 VAL 57 HG22 VAL 57 18.478 5.152 -0.514
415 HG23 VAL 57 HG23 VAL 57 16.779 4.973 -0.956
416 H SER 58 H SER 58 20.501 6.124 -4.029
417 HA SER 58 HA SER 58 21.910 3.792 -3.283
418 HB2 SER 58 HB2 SER 58 22.809 5.137 -5.027
419 HB3 SER 58 HB3 SER 58 22.720 6.601 -4.056
420 HG SER 58 HG SER 58 24.646 4.608 -4.126
421 HA PRO 59 HA PRO 59 22.550 4.277 1.029
422 HB2 PRO 59 HB2 PRO 59 25.247 3.665 1.229
423 HB3 PRO 59 HB3 PRO 59 23.934 2.487 1.172
424 HG2 PRO 59 HG2 PRO 59 25.751 3.408 -0.999
425 HG3 PRO 59 HG3 PRO 59 25.080 1.795 -0.701
426 HD2 PRO 59 HD2 PRO 59 24.125 3.423 -2.624
427 HD3 PRO 59 HD3 PRO 59 23.078 2.303 -1.733
428 H LYS 60 H LYS 60 24.287 6.202 -1.206
429 HA LYS 60 HA LYS 60 25.472 7.890 0.841
430 HB2 LYS 60 HB2 LYS 60 26.333 9.224 -1.036
431 HB3 LYS 60 HB3 LYS 60 26.756 7.527 -1.186
432 HG2 LYS 60 HG2 LYS 60 25.017 7.205 -2.841
433 HG3 LYS 60 HG3 LYS 60 24.503 8.883 -2.648
434 HD2 LYS 60 HD2 LYS 60 26.686 9.648 -3.429
435 HD3 LYS 60 HD3 LYS 60 27.217 7.976 -3.602
436 HE2 LYS 60 HE2 LYS 60 24.897 9.204 -5.083
437 HE3 LYS 60 HE3 LYS 60 26.524 9.034 -5.738
438 HZ1 LYS 60 HZ1 LYS 60 26.304 6.671 -5.537
439 HZ2 LYS 60 HZ2 LYS 60 25.062 7.245 -6.413
440 HZ3 LYS 60 HZ3 LYS 60 24.826 6.802 -4.868
441 H ILE 61 H ILE 61 22.475 7.589 -0.616
442 HA ILE 61 HA ILE 61 21.784 10.404 -0.624
443 HB ILE 61 HB ILE 61 19.905 8.041 -0.750
444 HG12 ILE 61 HG12 ILE 61 21.702 7.938 -2.474
445 HG13 ILE 61 HG13 ILE 61 20.080 8.054 -3.137
446 HG21 ILE 61 HG21 ILE 61 18.815 10.163 -0.317
447 HG22 ILE 61 HG22 ILE 61 18.426 9.594 -1.940
448 HG23 ILE 61 HG23 ILE 61 19.611 10.880 -1.717
449 HD11 ILE 61 HD11 ILE 61 20.455 10.449 -3.530
450 HD12 ILE 61 HD12 ILE 61 21.598 9.421 -4.393
451 HD13 ILE 61 HD13 ILE 61 22.103 10.267 -2.929
452 H ARG 62 H ARG 62 20.170 11.283 0.815
453 HA ARG 62 HA ARG 62 20.108 9.868 3.390
454 HB2 ARG 62 HB2 ARG 62 20.268 12.815 2.802
455 HB3 ARG 62 HB3 ARG 62 19.812 12.196 4.385
456 HG2 ARG 62 HG2 ARG 62 21.924 11.016 4.553
457 HG3 ARG 62 HG3 ARG 62 22.386 11.586 2.950
458 HD2 ARG 62 HD2 ARG 62 21.784 13.389 5.288
459 HD3 ARG 62 HD3 ARG 62 23.403 12.885 4.809
460 HE ARG 62 HE ARG 62 21.638 14.384 2.985
461 HH11 ARG 62 HH11 ARG 62 24.726 13.954 4.594
462 HH12 ARG 62 HH12 ARG 62 25.483 15.264 3.749
463 HH21 ARG 62 HH21 ARG 62 22.649 16.093 1.864
464 HH22 ARG 62 HH22 ARG 62 24.313 16.465 2.189
465 H CYS 63 H CYS 63 18.299 8.783 2.962
466 HA CYS 63 HA CYS 63 15.783 10.300 3.077
467 HB2 CYS 63 HB2 CYS 63 16.018 9.556 0.768
468 HB3 CYS 63 HB3 CYS 63 16.416 7.928 1.300
469 H LEU 64 H LEU 64 14.075 9.156 4.216
470 HA LEU 64 HA LEU 64 15.000 7.126 6.037
471 HB2 LEU 64 HB2 LEU 64 12.257 8.172 5.357
472 HB3 LEU 64 HB3 LEU 64 12.500 6.867 6.498
473 HG LEU 64 HG LEU 64 12.184 8.844 7.766
474 HD11 LEU 64 HD11 LEU 64 15.146 8.316 7.671
475 HD12 LEU 64 HD12 LEU 64 13.962 7.365 8.565
476 HD13 LEU 64 HD13 LEU 64 14.251 9.048 9.002
477 HD21 LEU 64 HD21 LEU 64 13.530 10.866 7.475
478 HD22 LEU 64 HD22 LEU 64 12.586 10.492 6.032
479 HD23 LEU 64 HD23 LEU 64 14.314 10.138 6.071
480 H GLU 65 H GLU 65 15.861 5.606 4.666
481 HA GLU 65 HA GLU 65 14.323 4.742 2.385
482 HB2 GLU 65 HB2 GLU 65 16.399 3.472 1.799
483 HB3 GLU 65 HB3 GLU 65 16.608 5.209 1.935
484 HG2 GLU 65 HG2 GLU 65 17.777 5.031 3.947
485 HG3 GLU 65 HG3 GLU 65 17.228 3.381 4.224
486 H GLU 66 H GLU 66 12.670 3.610 3.436
487 HA GLU 66 HA GLU 66 13.053 0.880 3.022
488 HB2 GLU 66 HB2 GLU 66 13.123 1.702 5.876
489 HB3 GLU 66 HB3 GLU 66 12.120 0.313 5.476
490 HG2 GLU 66 HG2 GLU 66 14.253 -0.474 4.186
491 HG3 GLU 66 HG3 GLU 66 15.070 0.648 5.267
492 H GLN 67 H GLN 67 11.317 0.759 1.802
493 HA GLN 67 HA GLN 67 8.737 1.521 2.974
494 HB2 GLN 67 HB2 GLN 67 9.316 2.457 0.731
495 HB3 GLN 67 HB3 GLN 67 9.352 0.816 0.100
496 HG2 GLN 67 HG2 GLN 67 7.057 0.563 0.266
497 HG3 GLN 67 HG3 GLN 67 6.901 1.841 1.471
498 HE21 GLN 67 HE21 GLN 67 7.216 1.132 -1.912
499 HE22 GLN 67 HE22 GLN 67 6.861 2.720 -2.483
500 H LEU 68 H LEU 68 9.927 -1.046 0.795
501 HA LEU 68 HA LEU 68 9.460 -3.143 2.598
502 HB2 LEU 68 HB2 LEU 68 7.066 -2.228 1.697
503 HB3 LEU 68 HB3 LEU 68 7.424 -3.436 0.475
504 HG LEU 68 HG LEU 68 6.128 -4.570 2.053
505 HD11 LEU 68 HD11 LEU 68 8.102 -5.843 1.444
506 HD12 LEU 68 HD12 LEU 68 7.604 -6.205 3.096
507 HD13 LEU 68 HD13 LEU 68 8.987 -5.152 2.802
508 HD21 LEU 68 HD21 LEU 68 7.802 -3.326 4.230
509 HD22 LEU 68 HD22 LEU 68 6.511 -4.502 4.474
510 HD23 LEU 68 HD23 LEU 68 6.138 -2.910 3.816
511 H GLY 69 H GLY 69 11.660 -3.090 1.332
512 HA2 GLY 69 HA2 GLY 69 12.119 -5.392 0.125
513 HA3 GLY 69 HA3 GLY 69 11.402 -4.513 -1.211
514 H LEU 70 H LEU 70 13.699 -5.383 -1.823
515 HA LEU 70 HA LEU 70 15.672 -3.255 -1.320
516 HB2 LEU 70 HB2 LEU 70 16.053 -5.825 -0.818
517 HB3 LEU 70 HB3 LEU 70 16.359 -5.902 -2.539
518 HG LEU 70 HG LEU 70 17.861 -4.008 -0.741
519 HD11 LEU 70 HD11 LEU 70 18.639 -6.816 -1.514
520 HD12 LEU 70 HD12 LEU 70 18.144 -6.295 0.096
521 HD13 LEU 70 HD13 LEU 70 19.630 -5.666 -0.616
522 HD21 LEU 70 HD21 LEU 70 19.514 -4.085 -2.524
523 HD22 LEU 70 HD22 LEU 70 17.944 -3.574 -3.147
524 HD23 LEU 70 HD23 LEU 70 18.509 -5.221 -3.423
525 H CYS 71 H CYS 71 16.626 -2.245 -3.056
526 HA CYS 71 HA CYS 71 14.936 -2.120 -5.386
527 HB2 CYS 71 HB2 CYS 71 17.041 -0.430 -4.171
528 HB3 CYS 71 HB3 CYS 71 16.790 -0.273 -5.908
529 HA PRO 72 HA PRO 72 17.102 -3.998 -8.803
530 HB2 PRO 72 HB2 PRO 72 17.889 -1.164 -9.422
531 HB3 PRO 72 HB3 PRO 72 17.388 -2.454 -10.529
532 HG2 PRO 72 HG2 PRO 72 15.654 -0.587 -9.728
533 HG3 PRO 72 HG3 PRO 72 15.156 -2.274 -9.944
534 HD2 PRO 72 HD2 PRO 72 15.485 -0.724 -7.462
535 HD3 PRO 72 HD3 PRO 72 14.557 -2.206 -7.751
536 H LEU 73 H LEU 73 19.017 -1.183 -7.629
537 HA LEU 73 HA LEU 73 21.475 -2.645 -7.907
538 HB2 LEU 73 HB2 LEU 73 20.929 -0.083 -6.433
539 HB3 LEU 73 HB3 LEU 73 22.508 -0.770 -6.664
540 HG LEU 73 HG LEU 73 22.491 0.862 -8.254
541 HD11 LEU 73 HD11 LEU 73 23.035 -1.268 -9.270
542 HD12 LEU 73 HD12 LEU 73 22.296 -0.158 -10.425
543 HD13 LEU 73 HD13 LEU 73 21.348 -1.479 -9.742
544 HD21 LEU 73 HD21 LEU 73 19.583 0.267 -8.709
545 HD22 LEU 73 HD22 LEU 73 20.533 1.338 -9.737
546 HD23 LEU 73 HD23 LEU 73 20.312 1.726 -8.030
547 H LYS 74 H LYS 74 22.892 -3.078 -6.122
548 HA LYS 74 HA LYS 74 21.414 -4.837 -4.407
549 HB2 LYS 74 HB2 LYS 74 23.416 -5.650 -5.489
550 HB3 LYS 74 HB3 LYS 74 24.383 -4.390 -4.736
551 HG2 LYS 74 HG2 LYS 74 24.745 -6.494 -3.619
552 HG3 LYS 74 HG3 LYS 74 23.920 -5.375 -2.534
553 HD2 LYS 74 HD2 LYS 74 21.762 -6.476 -3.212
554 HD3 LYS 74 HD3 LYS 74 22.729 -7.693 -4.047
555 HE2 LYS 74 HE2 LYS 74 22.769 -7.050 -1.102
556 HE3 LYS 74 HE3 LYS 74 22.115 -8.501 -1.855
557 HZ1 LYS 74 HZ1 LYS 74 24.942 -7.711 -1.834
558 HZ2 LYS 74 HZ2 LYS 74 24.351 -9.029 -2.579
559 HZ3 LYS 74 HZ3 LYS 74 24.278 -8.915 -0.962
560 H ARG 75 H ARG 75 23.195 -1.858 -3.969
561 HA ARG 75 HA ARG 75 22.946 -2.148 -1.062
562 HB2 ARG 75 HB2 ARG 75 24.602 -0.230 -2.703
563 HB3 ARG 75 HB3 ARG 75 24.556 -0.273 -0.945
564 HG2 ARG 75 HG2 ARG 75 25.423 -2.559 -0.980
565 HG3 ARG 75 HG3 ARG 75 25.488 -2.500 -2.742
566 HD2 ARG 75 HD2 ARG 75 26.969 -0.638 -0.901
567 HD3 ARG 75 HD3 ARG 75 27.670 -2.067 -1.654
568 HE ARG 75 HE ARG 75 26.655 -0.594 -3.733
569 HH11 ARG 75 HH11 ARG 75 28.931 -0.011 -1.146
570 HH12 ARG 75 HH12 ARG 75 29.895 1.095 -2.070
571 HH21 ARG 75 HH21 ARG 75 27.933 0.854 -4.963
572 HH22 ARG 75 HH22 ARG 75 29.327 1.588 -4.238
573 H TRP 76 H TRP 76 21.008 -1.153 -3.323
574 HA TRP 76 HA TRP 76 20.265 1.396 -2.082
575 HB2 TRP 76 HB2 TRP 76 19.293 0.091 -4.630
576 HB3 TRP 76 HB3 TRP 76 18.696 1.619 -4.002
577 HD1 TRP 76 HD1 TRP 76 22.398 0.538 -4.344
578 HE1 TRP 76 HE1 TRP 76 23.565 2.209 -5.903
579 HE3 TRP 76 HE3 TRP 76 18.399 3.444 -5.532
580 HZ2 TRP 76 HZ2 TRP 76 22.861 4.466 -7.442
581 HZ3 TRP 76 HZ3 TRP 76 18.712 5.360 -7.020
582 HH2 TRP 76 HH2 TRP 76 20.911 5.862 -7.965
583 H THR 77 H THR 77 18.472 1.593 -0.904
584 HA THR 77 HA THR 77 16.854 -0.815 -0.486
585 HB THR 77 HB THR 77 16.863 1.757 1.101
586 HG1 THR 77 HG1 THR 77 18.548 0.980 2.104
587 HG21 THR 77 HG21 THR 77 14.790 0.489 1.313
588 HG22 THR 77 HG22 THR 77 15.721 0.418 2.809
589 HG23 THR 77 HG23 THR 77 15.708 -0.964 1.713
590 H CYS 78 H CYS 78 14.685 -0.904 -0.923
591 HA CYS 78 HA CYS 78 13.501 1.067 -2.615
592 HB2 CYS 78 HB2 CYS 78 12.905 -1.348 -2.715
593 HB3 CYS 78 HB3 CYS 78 12.195 -1.222 -1.110
594 H CYS 79 H CYS 79 13.277 3.007 -1.706
595 HA CYS 79 HA CYS 79 12.656 3.232 1.126
596 HB2 CYS 79 HB2 CYS 79 14.514 4.478 0.481
597 HB3 CYS 79 HB3 CYS 79 13.730 5.104 -0.965
598 H LYS 80 H LYS 80 11.039 4.589 1.960
599 HA LYS 80 HA LYS 80 8.669 4.555 0.277
600 HB2 LYS 80 HB2 LYS 80 8.570 3.491 2.505
601 HB3 LYS 80 HB3 LYS 80 8.921 5.045 3.249
602 HG2 LYS 80 HG2 LYS 80 6.844 5.922 2.703
603 HG3 LYS 80 HG3 LYS 80 6.564 4.726 1.438
604 HD2 LYS 80 HD2 LYS 80 5.157 4.189 3.281
605 HD3 LYS 80 HD3 LYS 80 6.440 2.985 3.214
606 HE2 LYS 80 HE2 LYS 80 6.095 3.629 5.506
607 HE3 LYS 80 HE3 LYS 80 7.655 4.246 4.963
608 HZ1 LYS 80 HZ1 LYS 80 6.556 6.383 4.605
609 HZ2 LYS 80 HZ2 LYS 80 6.506 5.926 6.162
610 HZ3 LYS 80 HZ3 LYS 80 5.176 5.791 5.235
611 H GLU 81 H GLU 81 8.898 6.315 -0.989
612 HA GLU 81 HA GLU 81 8.429 8.431 -1.635
613 HB2 GLU 81 HB2 GLU 81 7.057 8.519 1.053
614 HB3 GLU 81 HB3 GLU 81 6.779 9.636 -0.280
615 HG2 GLU 81 HG2 GLU 81 5.796 7.967 -1.622
616 HG3 GLU 81 HG3 GLU 81 6.392 6.677 -0.579
617 H ILE 82 H ILE 82 10.424 9.308 -1.755
618 HA ILE 82 HA ILE 82 12.005 10.163 0.421
619 HB ILE 82 HB ILE 82 12.135 11.161 -2.431
620 HG12 ILE 82 HG12 ILE 82 13.610 8.828 -1.187
621 HG13 ILE 82 HG13 ILE 82 12.224 8.669 -2.262
622 HG21 ILE 82 HG21 ILE 82 14.498 11.584 -1.901
623 HG22 ILE 82 HG22 ILE 82 14.202 11.078 -0.238
624 HG23 ILE 82 HG23 ILE 82 13.407 12.517 -0.876
625 HD11 ILE 82 HD11 ILE 82 14.870 9.915 -2.983
626 HD12 ILE 82 HD12 ILE 82 13.486 9.721 -4.058
627 HD13 ILE 82 HD13 ILE 82 14.327 8.301 -3.438
Start of MODEL 10
1 H1 LEU 1 H1 LEU 1 -18.440 2.414 -3.574
2 H2 LEU 1 H2 LEU 1 -17.773 2.840 -4.991
3 H3 LEU 1 H3 LEU 1 -18.514 3.958 -4.078
4 HA LEU 1 HA LEU 1 -16.888 3.746 -2.360
5 HB2 LEU 1 HB2 LEU 1 -15.785 1.728 -4.289
6 HB3 LEU 1 HB3 LEU 1 -14.790 2.464 -3.057
7 HG LEU 1 HG LEU 1 -17.257 0.847 -2.539
8 HD11 LEU 1 HD11 LEU 1 -14.356 0.093 -2.325
9 HD12 LEU 1 HD12 LEU 1 -15.530 -0.561 -3.466
10 HD13 LEU 1 HD13 LEU 1 -15.700 -0.884 -1.741
11 HD21 LEU 1 HD21 LEU 1 -16.468 0.837 -0.214
12 HD22 LEU 1 HD22 LEU 1 -16.833 2.464 -0.786
13 HD23 LEU 1 HD23 LEU 1 -15.159 1.924 -0.673
14 HA PRO 2 HA PRO 2 -14.565 7.008 -4.292
15 HB2 PRO 2 HB2 PRO 2 -12.123 5.839 -3.045
16 HB3 PRO 2 HB3 PRO 2 -12.762 7.485 -2.943
17 HG2 PRO 2 HG2 PRO 2 -13.015 5.843 -0.882
18 HG3 PRO 2 HG3 PRO 2 -14.376 6.893 -1.358
19 HD2 PRO 2 HD2 PRO 2 -13.950 3.973 -1.912
20 HD3 PRO 2 HD3 PRO 2 -15.431 4.804 -1.400
21 H ARG 3 H ARG 3 -12.746 7.427 -5.762
22 HA ARG 3 HA ARG 3 -13.034 5.998 -8.059
23 HB2 ARG 3 HB2 ARG 3 -12.060 8.245 -7.941
24 HB3 ARG 3 HB3 ARG 3 -10.596 7.577 -7.234
25 HG2 ARG 3 HG2 ARG 3 -10.386 6.183 -9.344
26 HG3 ARG 3 HG3 ARG 3 -11.637 7.226 -10.024
27 HD2 ARG 3 HD2 ARG 3 -10.238 9.183 -9.590
28 HD3 ARG 3 HD3 ARG 3 -8.992 8.142 -8.908
29 HE ARG 3 HE ARG 3 -9.813 8.188 -11.739
30 HH11 ARG 3 HH11 ARG 3 -7.485 7.333 -9.256
31 HH12 ARG 3 HH12 ARG 3 -6.210 7.023 -10.390
32 HH21 ARG 3 HH21 ARG 3 -8.138 7.752 -13.222
33 HH22 ARG 3 HH22 ARG 3 -6.578 7.262 -12.641
34 H ASP 4 H ASP 4 -10.431 5.560 -5.687
35 HA ASP 4 HA ASP 4 -9.436 3.313 -7.316
36 HB2 ASP 4 HB2 ASP 4 -7.938 5.204 -5.512
37 HB3 ASP 4 HB3 ASP 4 -7.230 3.753 -6.217
38 H THR 5 H THR 5 -11.363 3.519 -4.809
39 HA THR 5 HA THR 5 -9.892 2.007 -2.854
40 HB THR 5 HB THR 5 -12.833 2.661 -3.009
41 HG1 THR 5 HG1 THR 5 -10.616 3.738 -1.575
42 HG21 THR 5 HG21 THR 5 -11.227 1.404 -0.779
43 HG22 THR 5 HG22 THR 5 -12.522 0.638 -1.696
44 HG23 THR 5 HG23 THR 5 -12.881 1.992 -0.625
45 H SER 6 H SER 6 -12.630 1.233 -5.015
46 HA SER 6 HA SER 6 -12.746 -1.506 -4.355
47 HB2 SER 6 HB2 SER 6 -14.568 -0.294 -5.484
48 HB3 SER 6 HB3 SER 6 -13.565 -0.122 -6.921
49 HG SER 6 HG SER 6 -13.839 -2.198 -7.391
50 H ARG 7 H ARG 7 -10.758 0.361 -6.440
51 HA ARG 7 HA ARG 7 -9.515 -1.754 -7.883
52 HB2 ARG 7 HB2 ARG 7 -9.349 0.398 -8.826
53 HB3 ARG 7 HB3 ARG 7 -8.888 1.127 -7.298
54 HG2 ARG 7 HG2 ARG 7 -6.796 -0.499 -7.645
55 HG3 ARG 7 HG3 ARG 7 -7.236 -0.222 -9.332
56 HD2 ARG 7 HD2 ARG 7 -7.151 2.193 -8.956
57 HD3 ARG 7 HD3 ARG 7 -6.731 1.916 -7.262
58 HE ARG 7 HE ARG 7 -4.834 0.586 -8.757
59 HH11 ARG 7 HH11 ARG 7 -5.950 3.902 -8.563
60 HH12 ARG 7 HH12 ARG 7 -4.367 4.576 -8.823
61 HH21 ARG 7 HH21 ARG 7 -2.749 1.487 -9.110
62 HH22 ARG 7 HH22 ARG 7 -2.560 3.210 -9.119
63 H CYS 8 H CYS 8 -8.549 0.197 -5.082
64 HA CYS 8 HA CYS 8 -6.012 -1.018 -4.816
65 HB2 CYS 8 HB2 CYS 8 -7.101 1.254 -3.908
66 HB3 CYS 8 HB3 CYS 8 -7.250 0.260 -2.463
67 H VAL 9 H VAL 9 -9.133 -1.631 -3.337
68 HA VAL 9 HA VAL 9 -8.309 -2.997 -1.069
69 HB VAL 9 HB VAL 9 -10.590 -2.212 -1.387
70 HG11 VAL 9 HG11 VAL 9 -12.163 -3.408 -2.816
71 HG12 VAL 9 HG12 VAL 9 -10.852 -4.436 -3.395
72 HG13 VAL 9 HG13 VAL 9 -10.836 -2.706 -3.747
73 HG21 VAL 9 HG21 VAL 9 -11.787 -4.125 -0.468
74 HG22 VAL 9 HG22 VAL 9 -10.184 -3.977 0.253
75 HG23 VAL 9 HG23 VAL 9 -10.485 -5.197 -0.983
76 H GLY 10 H GLY 10 -8.566 -4.150 -4.371
77 HA2 GLY 10 HA2 GLY 10 -8.070 -6.898 -3.530
78 HA3 GLY 10 HA3 GLY 10 -8.293 -6.338 -5.182
79 H TYR 11 H TYR 11 -6.290 -4.135 -4.534
80 HA TYR 11 HA TYR 11 -4.007 -5.714 -5.413
81 HB2 TYR 11 HB2 TYR 11 -4.581 -2.756 -5.499
82 HB3 TYR 11 HB3 TYR 11 -3.044 -3.459 -5.980
83 HD1 TYR 11 HD1 TYR 11 -4.075 -5.926 -7.351
84 HD2 TYR 11 HD2 TYR 11 -5.346 -1.877 -7.529
85 HE1 TYR 11 HE1 TYR 11 -4.947 -6.310 -9.604
86 HE2 TYR 11 HE2 TYR 11 -6.230 -2.249 -9.792
87 HH TYR 11 HH TYR 11 -6.615 -5.345 -11.132
88 H HIS 12 H HIS 12 -4.388 -2.828 -3.339
89 HA HIS 12 HA HIS 12 -2.000 -3.749 -1.871
90 HB2 HIS 12 HB2 HIS 12 -2.808 -0.864 -1.919
91 HB3 HIS 12 HB3 HIS 12 -1.213 -1.568 -1.694
92 HD1 HIS 12 HD1 HIS 12 -2.801 0.462 -3.971
93 HD2 HIS 12 HD2 HIS 12 -0.604 -3.036 -4.404
94 HE1 HIS 12 HE1 HIS 12 -2.037 0.436 -6.363
95 HE2 HIS 12 HE2 HIS 12 -0.490 -1.550 -6.520
96 H GLY 13 H GLY 13 -5.038 -4.015 -1.462
97 HA2 GLY 13 HA2 GLY 13 -5.883 -4.672 0.669
98 HA3 GLY 13 HA3 GLY 13 -4.841 -3.466 1.414
99 H TYR 14 H TYR 14 -7.210 -3.343 2.373
100 HA TYR 14 HA TYR 14 -9.140 -1.986 0.735
101 HB2 TYR 14 HB2 TYR 14 -10.445 -1.910 2.897
102 HB3 TYR 14 HB3 TYR 14 -9.995 -3.519 2.344
103 HD1 TYR 14 HD1 TYR 14 -8.819 -4.966 3.760
104 HD2 TYR 14 HD2 TYR 14 -8.968 -0.820 4.671
105 HE1 TYR 14 HE1 TYR 14 -7.779 -5.414 5.944
106 HE2 TYR 14 HE2 TYR 14 -7.928 -1.248 6.851
107 HH TYR 14 HH TYR 14 -7.714 -3.136 8.432
108 H CYS 15 H CYS 15 -10.277 -0.005 1.885
109 HA CYS 15 HA CYS 15 -8.108 1.919 2.405
110 HB2 CYS 15 HB2 CYS 15 -10.669 2.370 0.865
111 HB3 CYS 15 HB3 CYS 15 -9.455 3.594 1.207
112 H ILE 16 H ILE 16 -8.399 1.773 4.665
113 HA ILE 16 HA ILE 16 -10.948 2.738 5.716
114 HB ILE 16 HB ILE 16 -9.963 2.443 7.946
115 HG12 ILE 16 HG12 ILE 16 -7.542 1.488 6.418
116 HG13 ILE 16 HG13 ILE 16 -7.637 2.902 7.450
117 HG21 ILE 16 HG21 ILE 16 -9.807 0.069 6.116
118 HG22 ILE 16 HG22 ILE 16 -11.196 0.619 7.051
119 HG23 ILE 16 HG23 ILE 16 -9.780 -0.036 7.875
120 HD11 ILE 16 HD11 ILE 16 -7.904 0.052 8.370
121 HD12 ILE 16 HD12 ILE 16 -7.959 1.486 9.394
122 HD13 ILE 16 HD13 ILE 16 -6.474 1.069 8.539
123 H ARG 17 H ARG 17 -10.643 4.495 7.506
124 HA ARG 17 HA ARG 17 -9.775 6.782 6.098
125 HB2 ARG 17 HB2 ARG 17 -11.536 7.052 7.678
126 HB3 ARG 17 HB3 ARG 17 -10.582 6.355 8.978
127 HG2 ARG 17 HG2 ARG 17 -9.100 8.288 8.949
128 HG3 ARG 17 HG3 ARG 17 -10.028 8.985 7.619
129 HD2 ARG 17 HD2 ARG 17 -11.982 9.162 9.013
130 HD3 ARG 17 HD3 ARG 17 -11.165 8.318 10.328
131 HE ARG 17 HE ARG 17 -9.619 10.272 10.387
132 HH11 ARG 17 HH11 ARG 17 -12.837 10.626 9.049
133 HH12 ARG 17 HH12 ARG 17 -12.945 12.315 9.430
134 HH21 ARG 17 HH21 ARG 17 -9.759 12.495 10.887
135 HH22 ARG 17 HH22 ARG 17 -11.198 13.376 10.482
136 H SER 18 H SER 18 -8.278 4.917 8.745
137 HA SER 18 HA SER 18 -6.062 6.849 8.694
138 HB2 SER 18 HB2 SER 18 -7.292 5.412 11.045
139 HB3 SER 18 HB3 SER 18 -5.839 6.408 11.138
140 HG SER 18 HG SER 18 -8.241 7.252 11.454
141 H LYS 19 H LYS 19 -4.073 5.897 9.850
142 HA LYS 19 HA LYS 19 -3.340 3.554 8.297
143 HB2 LYS 19 HB2 LYS 19 -1.566 5.135 10.150
144 HB3 LYS 19 HB3 LYS 19 -1.097 4.177 8.753
145 HG2 LYS 19 HG2 LYS 19 -1.822 5.767 7.248
146 HG3 LYS 19 HG3 LYS 19 -2.890 6.535 8.421
147 HD2 LYS 19 HD2 LYS 19 -0.603 6.977 9.669
148 HD3 LYS 19 HD3 LYS 19 0.038 6.838 8.028
149 HE2 LYS 19 HE2 LYS 19 -1.532 8.551 7.272
150 HE3 LYS 19 HE3 LYS 19 -2.184 8.676 8.904
151 HZ1 LYS 19 HZ1 LYS 19 -0.600 10.404 8.512
152 HZ2 LYS 19 HZ2 LYS 19 0.556 9.344 8.089
153 HZ3 LYS 19 HZ3 LYS 19 0.016 9.384 9.620
154 H VAL 20 H VAL 20 -5.062 3.519 10.708
155 HA VAL 20 HA VAL 20 -3.668 2.208 12.838
156 HB VAL 20 HB VAL 20 -6.637 2.011 12.434
157 HG11 VAL 20 HG11 VAL 20 -5.659 0.837 14.325
158 HG12 VAL 20 HG12 VAL 20 -6.675 2.171 14.872
159 HG13 VAL 20 HG13 VAL 20 -4.921 2.335 14.888
160 HG21 VAL 20 HG21 VAL 20 -5.156 4.444 13.423
161 HG22 VAL 20 HG22 VAL 20 -6.902 4.202 13.506
162 HG23 VAL 20 HG23 VAL 20 -6.102 4.319 11.938
163 H CYS 21 H CYS 21 -3.264 0.948 10.297
164 HA CYS 21 HA CYS 21 -4.862 -1.232 9.708
165 HB2 CYS 21 HB2 CYS 21 -1.860 -1.127 9.443
166 HB3 CYS 21 HB3 CYS 21 -2.990 -2.048 8.454
167 HA PRO 22 HA PRO 22 -4.073 -4.030 13.140
168 HB2 PRO 22 HB2 PRO 22 -5.335 -6.170 12.042
169 HB3 PRO 22 HB3 PRO 22 -6.206 -4.829 12.790
170 HG2 PRO 22 HG2 PRO 22 -5.677 -5.366 9.896
171 HG3 PRO 22 HG3 PRO 22 -7.166 -4.801 10.678
172 HD2 PRO 22 HD2 PRO 22 -5.468 -3.132 9.390
173 HD3 PRO 22 HD3 PRO 22 -6.428 -2.622 10.791
174 H LYS 23 H LYS 23 -3.413 -6.569 13.026
175 HA LYS 23 HA LYS 23 -1.216 -6.700 11.078
176 HB2 LYS 23 HB2 LYS 23 -1.355 -7.627 13.926
177 HB3 LYS 23 HB3 LYS 23 -0.218 -8.357 12.807
178 HG2 LYS 23 HG2 LYS 23 0.989 -6.703 13.937
179 HG3 LYS 23 HG3 LYS 23 0.632 -6.019 12.355
180 HD2 LYS 23 HD2 LYS 23 0.162 -4.254 13.768
181 HD3 LYS 23 HD3 LYS 23 -1.426 -4.985 13.545
182 HE2 LYS 23 HE2 LYS 23 0.388 -5.594 15.876
183 HE3 LYS 23 HE3 LYS 23 -0.858 -4.353 15.909
184 HZ1 LYS 23 HZ1 LYS 23 -1.708 -6.329 16.853
185 HZ2 LYS 23 HZ2 LYS 23 -1.275 -7.236 15.580
186 HZ3 LYS 23 HZ3 LYS 23 -2.457 -6.131 15.423
187 HA PRO 24 HA PRO 24 0.080 -7.847 10.278
188 HB2 PRO 24 HB2 PRO 24 0.727 -9.274 8.121
189 HB3 PRO 24 HB3 PRO 24 0.971 -9.919 9.748
190 HG2 PRO 24 HG2 PRO 24 -1.165 -10.537 7.763
191 HG3 PRO 24 HG3 PRO 24 -0.345 -11.617 8.901
192 HD2 PRO 24 HD2 PRO 24 -2.857 -10.454 9.272
193 HD3 PRO 24 HD3 PRO 24 -1.853 -11.174 10.543
194 H PHE 25 H PHE 25 -0.755 -5.878 9.587
195 HA PHE 25 HA PHE 25 -1.301 -5.700 6.725
196 HB2 PHE 25 HB2 PHE 25 -3.103 -4.559 8.876
197 HB3 PHE 25 HB3 PHE 25 -3.104 -3.960 7.223
198 HD1 PHE 25 HD1 PHE 25 -4.496 -4.911 5.668
199 HD2 PHE 25 HD2 PHE 25 -3.532 -7.090 9.194
200 HE1 PHE 25 HE1 PHE 25 -6.123 -6.644 5.037
201 HE2 PHE 25 HE2 PHE 25 -5.164 -8.821 8.570
202 HZ PHE 25 HZ PHE 25 -6.450 -8.593 6.489
203 H ALA 26 H ALA 26 -0.667 -3.735 5.816
204 HA ALA 26 HA ALA 26 0.705 -1.908 7.682
205 HB1 ALA 26 HB1 ALA 26 2.586 -1.693 6.274
206 HB2 ALA 26 HB2 ALA 26 1.800 -2.565 4.964
207 HB3 ALA 26 HB3 ALA 26 2.289 -3.425 6.423
208 H ALA 27 H ALA 27 0.478 0.208 7.327
209 HA ALA 27 HA ALA 27 -1.474 1.236 5.595
210 HB1 ALA 27 HB1 ALA 27 0.823 2.614 6.984
211 HB2 ALA 27 HB2 ALA 27 -0.799 2.378 7.632
212 HB3 ALA 27 HB3 ALA 27 -0.551 3.429 6.237
213 H PHE 28 H PHE 28 -1.172 0.761 3.457
214 HA PHE 28 HA PHE 28 1.419 1.396 2.266
215 HB2 PHE 28 HB2 PHE 28 -0.622 -0.571 1.747
216 HB3 PHE 28 HB3 PHE 28 -0.308 0.359 0.295
217 HD1 PHE 28 HD1 PHE 28 2.286 0.743 -0.201
218 HD2 PHE 28 HD2 PHE 28 0.630 -2.408 2.130
219 HE1 PHE 28 HE1 PHE 28 4.311 -0.606 -0.580
220 HE2 PHE 28 HE2 PHE 28 2.630 -3.763 1.750
221 HZ PHE 28 HZ PHE 28 4.490 -2.861 0.398
222 H GLY 29 H GLY 29 1.289 3.597 2.340
223 HA2 GLY 29 HA2 GLY 29 0.811 5.689 1.579
224 HA3 GLY 29 HA3 GLY 29 0.489 4.896 0.056
225 H THR 30 H THR 30 -1.231 5.854 -0.685
226 HA THR 30 HA THR 30 -3.719 5.547 0.819
227 HB THR 30 HB THR 30 -4.471 7.791 0.069
228 HG1 THR 30 HG1 THR 30 -2.072 7.677 -1.269
229 HG21 THR 30 HG21 THR 30 -3.569 7.619 2.306
230 HG22 THR 30 HG22 THR 30 -3.035 9.137 1.585
231 HG23 THR 30 HG23 THR 30 -1.923 7.771 1.689
232 H CYS 31 H CYS 31 -5.537 5.233 -0.567
233 HA CYS 31 HA CYS 31 -4.718 4.168 -3.140
234 HB2 CYS 31 HB2 CYS 31 -7.044 3.238 -3.193
235 HB3 CYS 31 HB3 CYS 31 -6.052 2.689 -1.848
236 H SER 32 H SER 32 -7.641 5.983 -2.174
237 HA SER 32 HA SER 32 -7.551 7.246 -4.821
238 HB2 SER 32 HB2 SER 32 -9.602 5.912 -4.046
239 HB3 SER 32 HB3 SER 32 -9.904 7.232 -2.924
240 HG SER 32 HG SER 32 -9.479 8.295 -5.315
241 H TRP 33 H TRP 33 -8.949 8.224 -1.709
242 HA TRP 33 HA TRP 33 -7.776 10.872 -2.025
243 HB2 TRP 33 HB2 TRP 33 -9.439 10.082 0.340
244 HB3 TRP 33 HB3 TRP 33 -9.319 11.641 -0.460
245 HD1 TRP 33 HD1 TRP 33 -11.917 9.508 0.212
246 HE1 TRP 33 HE1 TRP 33 -13.659 9.279 -1.662
247 HE3 TRP 33 HE3 TRP 33 -9.156 11.301 -3.713
248 HZ2 TRP 33 HZ2 TRP 33 -13.848 9.779 -4.420
249 HZ3 TRP 33 HZ3 TRP 33 -10.210 11.389 -5.936
250 HH2 TRP 33 HH2 TRP 33 -12.497 10.648 -6.278
251 H ARG 34 H ARG 34 -6.405 11.775 -0.427
252 HA ARG 34 HA ARG 34 -4.548 9.947 0.690
253 HB2 ARG 34 HB2 ARG 34 -3.944 12.214 -0.085
254 HB3 ARG 34 HB3 ARG 34 -4.873 12.903 1.239
255 HG2 ARG 34 HG2 ARG 34 -2.719 10.967 1.869
256 HG3 ARG 34 HG3 ARG 34 -2.279 12.593 1.389
257 HD2 ARG 34 HD2 ARG 34 -3.290 13.548 3.245
258 HD3 ARG 34 HD3 ARG 34 -4.311 12.139 3.532
259 HE ARG 34 HE ARG 34 -2.164 10.982 4.155
260 HH11 ARG 34 HH11 ARG 34 -2.519 14.448 4.503
261 HH12 ARG 34 HH12 ARG 34 -1.385 14.554 5.810
262 HH21 ARG 34 HH21 ARG 34 -0.680 11.118 5.861
263 HH22 ARG 34 HH22 ARG 34 -0.350 12.654 6.599
264 H GLN 35 H GLN 35 -7.303 11.628 1.889
265 HA GLN 35 HA GLN 35 -6.950 11.398 4.641
266 HB2 GLN 35 HB2 GLN 35 -9.445 11.483 4.759
267 HB3 GLN 35 HB3 GLN 35 -8.700 12.783 3.842
268 HG2 GLN 35 HG2 GLN 35 -9.318 11.762 1.780
269 HG3 GLN 35 HG3 GLN 35 -9.871 10.307 2.607
270 HE21 GLN 35 HE21 GLN 35 -11.833 10.320 3.670
271 HE22 GLN 35 HE22 GLN 35 -12.999 11.578 3.452
272 H LYS 36 H LYS 36 -7.256 8.851 2.478
273 HA LYS 36 HA LYS 36 -7.780 7.069 4.740
274 HB2 LYS 36 HB2 LYS 36 -8.955 5.504 3.126
275 HB3 LYS 36 HB3 LYS 36 -9.843 6.923 3.644
276 HG2 LYS 36 HG2 LYS 36 -8.623 7.797 1.356
277 HG3 LYS 36 HG3 LYS 36 -8.976 6.108 0.986
278 HD2 LYS 36 HD2 LYS 36 -11.007 8.046 2.081
279 HD3 LYS 36 HD3 LYS 36 -10.778 7.742 0.364
280 HE2 LYS 36 HE2 LYS 36 -12.630 6.451 1.157
281 HE3 LYS 36 HE3 LYS 36 -11.317 5.354 0.749
282 HZ1 LYS 36 HZ1 LYS 36 -12.349 4.728 2.792
283 HZ2 LYS 36 HZ2 LYS 36 -12.131 6.203 3.441
284 HZ3 LYS 36 HZ3 LYS 36 -10.847 5.256 3.132
285 H THR 37 H THR 37 -6.729 5.138 4.756
286 HA THR 37 HA THR 37 -4.278 5.130 3.147
287 HB THR 37 HB THR 37 -4.936 3.760 5.769
288 HG1 THR 37 HG1 THR 37 -4.690 6.144 5.704
289 HG21 THR 37 HG21 THR 37 -2.555 3.279 5.919
290 HG22 THR 37 HG22 THR 37 -2.282 4.037 4.350
291 HG23 THR 37 HG23 THR 37 -3.230 2.554 4.459
292 H CYS 38 H CYS 38 -3.535 3.224 2.134
293 HA CYS 38 HA CYS 38 -5.619 1.239 1.595
294 HB2 CYS 38 HB2 CYS 38 -4.196 2.452 -0.202
295 HB3 CYS 38 HB3 CYS 38 -2.898 1.383 0.304
296 H CYS 39 H CYS 39 -5.630 -0.307 3.162
297 HA CYS 39 HA CYS 39 -3.040 -1.136 4.290
298 HB2 CYS 39 HB2 CYS 39 -5.829 -1.371 5.426
299 HB3 CYS 39 HB3 CYS 39 -4.375 -1.988 6.201
300 H VAL 40 H VAL 40 -2.298 -2.843 3.222
301 HA VAL 40 HA VAL 40 -4.158 -4.999 2.517
302 HB VAL 40 HB VAL 40 -2.530 -4.055 0.805
303 HG11 VAL 40 HG11 VAL 40 -0.598 -3.888 2.255
304 HG12 VAL 40 HG12 VAL 40 -0.264 -4.854 0.820
305 HG13 VAL 40 HG13 VAL 40 -0.532 -5.645 2.373
306 HG21 VAL 40 HG21 VAL 40 -3.673 -6.104 0.364
307 HG22 VAL 40 HG22 VAL 40 -2.571 -7.002 1.412
308 HG23 VAL 40 HG23 VAL 40 -1.985 -6.315 -0.104
309 H ASP 41 H ASP 41 -3.839 -7.103 3.208
310 HA ASP 41 HA ASP 41 -2.504 -7.569 5.652
311 HB2 ASP 41 HB2 ASP 41 -4.341 -8.980 4.960
312 HB3 ASP 41 HB3 ASP 41 -3.465 -9.488 3.525
313 H THR 42 H THR 42 -0.410 -7.426 5.876
314 HA THR 42 HA THR 42 1.268 -7.796 3.509
315 HB THR 42 HB THR 42 2.948 -6.499 4.933
316 HG1 THR 42 HG1 THR 42 1.748 -6.912 6.925
317 HG21 THR 42 HG21 THR 42 0.354 -5.079 4.298
318 HG22 THR 42 HG22 THR 42 1.581 -5.497 3.104
319 HG23 THR 42 HG23 THR 42 1.961 -4.360 4.393
320 H THR 43 H THR 43 1.360 -10.130 3.747
321 HA THR 43 HA THR 43 3.399 -10.851 5.720
322 HB THR 43 HB THR 43 1.516 -12.225 6.150
323 HG1 THR 43 HG1 THR 43 3.148 -13.598 6.324
324 HG21 THR 43 HG21 THR 43 0.245 -13.422 4.584
325 HG22 THR 43 HG22 THR 43 1.447 -13.216 3.316
326 HG23 THR 43 HG23 THR 43 0.481 -11.837 3.846
327 H SER 44 H SER 44 2.375 -11.974 2.478
328 HA SER 44 HA SER 44 5.187 -12.258 1.742
329 HB2 SER 44 HB2 SER 44 3.554 -14.150 1.473
330 HB3 SER 44 HB3 SER 44 2.770 -13.208 0.209
331 HG SER 44 HG SER 44 4.729 -14.826 -0.144
332 H ASP 45 H ASP 45 2.163 -10.983 0.396
333 HA ASP 45 HA ASP 45 3.398 -9.914 -1.926
334 HB2 ASP 45 HB2 ASP 45 1.007 -10.738 -1.693
335 HB3 ASP 45 HB3 ASP 45 0.658 -9.217 -0.879
336 H PHE 46 H PHE 46 3.299 -8.797 1.186
337 HA PHE 46 HA PHE 46 2.796 -6.093 1.061
338 HB2 PHE 46 HB2 PHE 46 3.852 -5.895 3.146
339 HB3 PHE 46 HB3 PHE 46 3.154 -7.501 3.069
340 HD1 PHE 46 HD1 PHE 46 4.918 -9.137 1.772
341 HD2 PHE 46 HD2 PHE 46 5.786 -5.905 4.346
342 HE1 PHE 46 HE1 PHE 46 7.050 -10.212 2.363
343 HE2 PHE 46 HE2 PHE 46 7.936 -6.938 4.950
344 HZ PHE 46 HZ PHE 46 8.580 -9.101 3.955
345 H HIS 47 H HIS 47 5.278 -7.698 -0.408
346 HA HIS 47 HA HIS 47 7.331 -5.790 -0.483
347 HB2 HIS 47 HB2 HIS 47 6.543 -8.000 -2.351
348 HB3 HIS 47 HB3 HIS 47 7.871 -6.909 -2.745
349 HD1 HIS 47 HD1 HIS 47 9.816 -6.803 -0.847
350 HD2 HIS 47 HD2 HIS 47 7.251 -10.076 -0.736
351 HE1 HIS 47 HE1 HIS 47 10.957 -8.509 0.602
352 HE2 HIS 47 HE2 HIS 47 9.319 -10.417 0.782
353 H THR 48 H THR 48 4.306 -5.192 -1.334
354 HA THR 48 HA THR 48 3.972 -4.334 -3.880
355 HB THR 48 HB THR 48 2.959 -2.951 -1.421
356 HG1 THR 48 HG1 THR 48 2.366 -5.416 -2.588
357 HG21 THR 48 HG21 THR 48 1.777 -3.158 -4.188
358 HG22 THR 48 HG22 THR 48 2.420 -1.698 -3.427
359 HG23 THR 48 HG23 THR 48 0.964 -2.464 -2.784
360 H CYS 49 H CYS 49 6.329 -2.914 -1.911
361 HA CYS 49 HA CYS 49 6.044 -0.208 -2.152
362 HB2 CYS 49 HB2 CYS 49 8.402 0.020 -1.830
363 HB3 CYS 49 HB3 CYS 49 7.879 -1.392 -0.926
364 H GLN 50 H GLN 50 7.718 -2.261 -4.597
365 HA GLN 50 HA GLN 50 8.305 -0.119 -6.316
366 HB2 GLN 50 HB2 GLN 50 8.763 -1.797 -8.022
367 HB3 GLN 50 HB3 GLN 50 9.481 -2.239 -6.491
368 HG2 GLN 50 HG2 GLN 50 6.854 -3.347 -7.420
369 HG3 GLN 50 HG3 GLN 50 8.403 -4.093 -7.816
370 HE21 GLN 50 HE21 GLN 50 6.128 -5.044 -6.189
371 HE22 GLN 50 HE22 GLN 50 6.793 -5.401 -4.626
372 H ASP 51 H ASP 51 5.410 -1.960 -5.859
373 HA ASP 51 HA ASP 51 4.276 -1.386 -8.411
374 HB2 ASP 51 HB2 ASP 51 3.565 -3.314 -6.996
375 HB3 ASP 51 HB3 ASP 51 2.844 -2.175 -5.863
376 H LYS 52 H LYS 52 4.139 0.083 -5.213
377 HA LYS 52 HA LYS 52 2.259 2.117 -5.918
378 HB2 LYS 52 HB2 LYS 52 4.195 1.779 -3.658
379 HB3 LYS 52 HB3 LYS 52 3.364 3.306 -3.895
380 HG2 LYS 52 HG2 LYS 52 1.256 1.673 -3.940
381 HG3 LYS 52 HG3 LYS 52 2.350 0.713 -2.933
382 HD2 LYS 52 HD2 LYS 52 1.263 2.025 -1.361
383 HD3 LYS 52 HD3 LYS 52 2.739 2.938 -1.660
384 HE2 LYS 52 HE2 LYS 52 -0.038 3.506 -2.685
385 HE3 LYS 52 HE3 LYS 52 0.935 4.486 -1.611
386 HZ1 LYS 52 HZ1 LYS 52 2.404 4.967 -3.429
387 HZ2 LYS 52 HZ2 LYS 52 0.881 5.363 -3.841
388 HZ3 LYS 52 HZ3 LYS 52 1.549 4.009 -4.435
389 H GLY 53 H GLY 53 5.554 1.606 -6.511
390 HA2 GLY 53 HA2 GLY 53 6.682 3.180 -8.036
391 HA3 GLY 53 HA3 GLY 53 6.000 4.472 -7.054
392 H GLY 54 H GLY 54 7.775 1.465 -6.451
393 HA2 GLY 54 HA2 GLY 54 9.223 2.758 -4.286
394 HA3 GLY 54 HA3 GLY 54 9.248 1.048 -4.673
395 H HIS 55 H HIS 55 10.927 3.860 -4.769
396 HA HIS 55 HA HIS 55 12.545 3.078 -7.089
397 HB2 HIS 55 HB2 HIS 55 12.356 5.707 -5.612
398 HB3 HIS 55 HB3 HIS 55 13.465 5.394 -6.943
399 HD1 HIS 55 HD1 HIS 55 12.589 5.809 -9.242
400 HD2 HIS 55 HD2 HIS 55 9.544 5.506 -6.423
401 HE1 HIS 55 HE1 HIS 55 10.477 6.387 -10.467
402 HE2 HIS 55 HE2 HIS 55 8.635 6.001 -8.800
403 H CYS 56 H CYS 56 14.842 3.097 -6.920
404 HA CYS 56 HA CYS 56 15.714 2.298 -4.248
405 HB2 CYS 56 HB2 CYS 56 16.814 1.755 -6.999
406 HB3 CYS 56 HB3 CYS 56 17.731 1.409 -5.536
407 H VAL 57 H VAL 57 16.694 3.752 -3.076
408 HA VAL 57 HA VAL 57 18.386 5.733 -4.440
409 HB VAL 57 HB VAL 57 17.747 7.422 -2.848
410 HG11 VAL 57 HG11 VAL 57 15.306 6.067 -3.960
411 HG12 VAL 57 HG12 VAL 57 16.364 7.178 -4.828
412 HG13 VAL 57 HG13 VAL 57 15.418 7.752 -3.453
413 HG21 VAL 57 HG21 VAL 57 16.016 5.311 -1.574
414 HG22 VAL 57 HG22 VAL 57 15.961 7.031 -1.187
415 HG23 VAL 57 HG23 VAL 57 17.425 6.101 -0.865
416 H SER 58 H SER 58 20.313 6.180 -3.549
417 HA SER 58 HA SER 58 21.436 4.310 -1.717
418 HB2 SER 58 HB2 SER 58 23.497 5.472 -2.132
419 HB3 SER 58 HB3 SER 58 22.620 5.479 -3.653
420 HG SER 58 HG SER 58 23.130 7.542 -3.499
421 HA PRO 59 HA PRO 59 20.761 6.448 2.094
422 HB2 PRO 59 HB2 PRO 59 23.181 6.290 3.349
423 HB3 PRO 59 HB3 PRO 59 22.070 4.924 3.204
424 HG2 PRO 59 HG2 PRO 59 24.489 5.583 1.573
425 HG3 PRO 59 HG3 PRO 59 23.952 4.013 2.194
426 HD2 PRO 59 HD2 PRO 59 23.569 4.765 -0.369
427 HD3 PRO 59 HD3 PRO 59 22.421 3.723 0.489
428 H LYS 60 H LYS 60 22.791 7.612 -0.265
429 HA LYS 60 HA LYS 60 23.391 10.108 1.153
430 HB2 LYS 60 HB2 LYS 60 24.459 9.071 -1.480
431 HB3 LYS 60 HB3 LYS 60 24.982 10.537 -0.661
432 HG2 LYS 60 HG2 LYS 60 25.904 9.271 1.151
433 HG3 LYS 60 HG3 LYS 60 25.241 7.773 0.497
434 HD2 LYS 60 HD2 LYS 60 26.663 8.019 -1.485
435 HD3 LYS 60 HD3 LYS 60 27.336 9.505 -0.812
436 HE2 LYS 60 HE2 LYS 60 28.222 8.273 1.081
437 HE3 LYS 60 HE3 LYS 60 27.490 6.787 0.481
438 HZ1 LYS 60 HZ1 LYS 60 29.825 6.951 -0.061
439 HZ2 LYS 60 HZ2 LYS 60 29.569 8.310 -0.917
440 HZ3 LYS 60 HZ3 LYS 60 28.921 6.906 -1.416
441 H ILE 61 H ILE 61 21.138 8.756 -0.877
442 HA ILE 61 HA ILE 61 20.522 11.126 -2.420
443 HB ILE 61 HB ILE 61 18.936 8.582 -1.983
444 HG12 ILE 61 HG12 ILE 61 21.097 8.343 -3.199
445 HG13 ILE 61 HG13 ILE 61 19.691 7.893 -4.154
446 HG21 ILE 61 HG21 ILE 61 18.459 10.829 -3.936
447 HG22 ILE 61 HG22 ILE 61 17.453 10.413 -2.549
448 HG23 ILE 61 HG23 ILE 61 17.587 9.296 -3.907
449 HD11 ILE 61 HD11 ILE 61 19.808 10.074 -5.278
450 HD12 ILE 61 HD12 ILE 61 21.263 9.103 -5.501
451 HD13 ILE 61 HD13 ILE 61 21.266 10.445 -4.356
452 H ARG 62 H ARG 62 18.845 12.542 -2.000
453 HA ARG 62 HA ARG 62 17.753 12.360 0.713
454 HB2 ARG 62 HB2 ARG 62 18.129 14.686 -1.159
455 HB3 ARG 62 HB3 ARG 62 17.035 14.793 0.213
456 HG2 ARG 62 HG2 ARG 62 19.088 15.725 0.912
457 HG3 ARG 62 HG3 ARG 62 18.967 14.141 1.674
458 HD2 ARG 62 HD2 ARG 62 20.414 13.212 -0.095
459 HD3 ARG 62 HD3 ARG 62 20.576 14.827 -0.778
460 HE ARG 62 HE ARG 62 21.334 14.628 1.998
461 HH11 ARG 62 HH11 ARG 62 22.420 14.422 -1.325
462 HH12 ARG 62 HH12 ARG 62 24.087 14.674 -0.929
463 HH21 ARG 62 HH21 ARG 62 23.534 14.961 2.520
464 HH22 ARG 62 HH22 ARG 62 24.723 14.979 1.256
465 H CYS 63 H CYS 63 16.209 10.858 0.315
466 HA CYS 63 HA CYS 63 13.826 11.851 -1.085
467 HB2 CYS 63 HB2 CYS 63 14.905 10.190 -2.536
468 HB3 CYS 63 HB3 CYS 63 14.937 9.038 -1.208
469 H LEU 64 H LEU 64 11.836 11.168 -0.162
470 HA LEU 64 HA LEU 64 11.914 10.374 2.579
471 HB2 LEU 64 HB2 LEU 64 9.648 10.434 0.605
472 HB3 LEU 64 HB3 LEU 64 9.464 10.141 2.324
473 HG LEU 64 HG LEU 64 10.260 12.689 0.939
474 HD11 LEU 64 HD11 LEU 64 8.116 11.975 2.916
475 HD12 LEU 64 HD12 LEU 64 7.894 12.246 1.188
476 HD13 LEU 64 HD13 LEU 64 8.391 13.575 2.233
477 HD21 LEU 64 HD21 LEU 64 11.820 12.431 2.772
478 HD22 LEU 64 HD22 LEU 64 10.502 12.038 3.874
479 HD23 LEU 64 HD23 LEU 64 10.617 13.654 3.180
480 H GLU 65 H GLU 65 13.155 8.527 2.525
481 HA GLU 65 HA GLU 65 12.403 6.313 0.838
482 HB2 GLU 65 HB2 GLU 65 14.418 5.216 1.777
483 HB3 GLU 65 HB3 GLU 65 14.750 6.772 1.034
484 HG2 GLU 65 HG2 GLU 65 14.962 7.823 3.165
485 HG3 GLU 65 HG3 GLU 65 14.402 6.371 3.994
486 H GLU 66 H GLU 66 12.532 4.116 1.795
487 HA GLU 66 HA GLU 66 12.015 2.478 3.264
488 HB2 GLU 66 HB2 GLU 66 11.227 4.642 5.210
489 HB3 GLU 66 HB3 GLU 66 11.335 2.923 5.566
490 HG2 GLU 66 HG2 GLU 66 13.755 3.073 4.869
491 HG3 GLU 66 HG3 GLU 66 13.553 4.818 4.892
492 H GLN 67 H GLN 67 10.485 2.321 1.476
493 HA GLN 67 HA GLN 67 7.725 2.653 2.398
494 HB2 GLN 67 HB2 GLN 67 7.969 3.264 0.106
495 HB3 GLN 67 HB3 GLN 67 8.871 1.794 -0.255
496 HG2 GLN 67 HG2 GLN 67 7.017 0.626 -0.616
497 HG3 GLN 67 HG3 GLN 67 6.262 1.214 0.855
498 HE21 GLN 67 HE21 GLN 67 6.738 1.805 -2.552
499 HE22 GLN 67 HE22 GLN 67 5.384 2.852 -2.742
500 H LEU 68 H LEU 68 9.699 0.053 0.971
501 HA LEU 68 HA LEU 68 9.221 -1.811 3.026
502 HB2 LEU 68 HB2 LEU 68 6.947 -1.574 1.648
503 HB3 LEU 68 HB3 LEU 68 7.771 -2.672 0.557
504 HG LEU 68 HG LEU 68 6.361 -3.946 2.017
505 HD11 LEU 68 HD11 LEU 68 8.471 -4.987 1.445
506 HD12 LEU 68 HD12 LEU 68 7.973 -5.449 3.072
507 HD13 LEU 68 HD13 LEU 68 9.241 -4.243 2.846
508 HD21 LEU 68 HD21 LEU 68 6.636 -3.934 4.450
509 HD22 LEU 68 HD22 LEU 68 6.146 -2.354 3.839
510 HD23 LEU 68 HD23 LEU 68 7.822 -2.638 4.307
511 H GLY 69 H GLY 69 11.333 -2.513 2.830
512 HA2 GLY 69 HA2 GLY 69 12.309 -4.564 1.896
513 HA3 GLY 69 HA3 GLY 69 11.847 -3.964 0.314
514 H LEU 70 H LEU 70 14.393 -4.853 1.069
515 HA LEU 70 HA LEU 70 16.010 -2.410 1.050
516 HB2 LEU 70 HB2 LEU 70 16.351 -4.528 2.601
517 HB3 LEU 70 HB3 LEU 70 17.149 -5.177 1.185
518 HG LEU 70 HG LEU 70 17.964 -2.551 2.418
519 HD11 LEU 70 HD11 LEU 70 19.057 -5.297 3.005
520 HD12 LEU 70 HD12 LEU 70 18.159 -4.274 4.124
521 HD13 LEU 70 HD13 LEU 70 19.749 -3.772 3.554
522 HD21 LEU 70 HD21 LEU 70 20.061 -2.987 1.262
523 HD22 LEU 70 HD22 LEU 70 18.707 -2.962 0.130
524 HD23 LEU 70 HD23 LEU 70 19.410 -4.500 0.633
525 H CYS 71 H CYS 71 17.192 -1.866 -0.702
526 HA CYS 71 HA CYS 71 16.400 -3.046 -3.205
527 HB2 CYS 71 HB2 CYS 71 17.854 -0.584 -2.359
528 HB3 CYS 71 HB3 CYS 71 18.030 -1.136 -4.021
529 HA PRO 72 HA PRO 72 19.701 -5.598 -4.682
530 HB2 PRO 72 HB2 PRO 72 20.505 -3.228 -6.338
531 HB3 PRO 72 HB3 PRO 72 20.421 -4.938 -6.797
532 HG2 PRO 72 HG2 PRO 72 18.456 -3.252 -7.444
533 HG3 PRO 72 HG3 PRO 72 18.109 -4.919 -6.954
534 HD2 PRO 72 HD2 PRO 72 17.626 -2.398 -5.503
535 HD3 PRO 72 HD3 PRO 72 16.846 -3.977 -5.310
536 H LEU 73 H LEU 73 20.900 -2.218 -4.379
537 HA LEU 73 HA LEU 73 23.443 -3.120 -3.408
538 HB2 LEU 73 HB2 LEU 73 22.187 -0.386 -3.345
539 HB3 LEU 73 HB3 LEU 73 23.814 -0.736 -2.803
540 HG LEU 73 HG LEU 73 24.215 0.112 -4.858
541 HD11 LEU 73 HD11 LEU 73 25.177 -2.130 -4.710
542 HD12 LEU 73 HD12 LEU 73 24.862 -1.619 -6.367
543 HD13 LEU 73 HD13 LEU 73 23.779 -2.766 -5.574
544 HD21 LEU 73 HD21 LEU 73 22.810 -0.401 -6.878
545 HD22 LEU 73 HD22 LEU 73 22.046 0.570 -5.621
546 HD23 LEU 73 HD23 LEU 73 21.652 -1.145 -5.773
547 H LYS 74 H LYS 74 24.221 -3.019 -1.342
548 HA LYS 74 HA LYS 74 22.388 -4.151 0.472
549 HB2 LYS 74 HB2 LYS 74 24.801 -4.723 0.272
550 HB3 LYS 74 HB3 LYS 74 25.188 -3.191 1.034
551 HG2 LYS 74 HG2 LYS 74 25.354 -4.849 2.704
552 HG3 LYS 74 HG3 LYS 74 23.870 -3.956 3.026
553 HD2 LYS 74 HD2 LYS 74 23.630 -6.361 1.318
554 HD3 LYS 74 HD3 LYS 74 24.007 -6.637 3.017
555 HE2 LYS 74 HE2 LYS 74 22.033 -5.320 3.653
556 HE3 LYS 74 HE3 LYS 74 21.655 -5.072 1.952
557 HZ1 LYS 74 HZ1 LYS 74 20.397 -6.884 2.931
558 HZ2 LYS 74 HZ2 LYS 74 21.766 -7.688 3.274
559 HZ3 LYS 74 HZ3 LYS 74 21.351 -7.423 1.727
560 H ARG 75 H ARG 75 23.571 -0.895 0.145
561 HA ARG 75 HA ARG 75 22.427 -0.223 2.765
562 HB2 ARG 75 HB2 ARG 75 23.748 1.961 2.434
563 HB3 ARG 75 HB3 ARG 75 24.630 0.507 2.857
564 HG2 ARG 75 HG2 ARG 75 24.354 1.229 -0.018
565 HG3 ARG 75 HG3 ARG 75 25.493 2.124 0.988
566 HD2 ARG 75 HD2 ARG 75 26.574 0.026 1.630
567 HD3 ARG 75 HD3 ARG 75 25.434 -0.873 0.632
568 HE ARG 75 HE ARG 75 26.501 0.761 -1.173
569 HH11 ARG 75 HH11 ARG 75 28.019 -1.173 1.315
570 HH12 ARG 75 HH12 ARG 75 29.499 -1.377 0.431
571 HH21 ARG 75 HH21 ARG 75 28.445 0.476 -2.344
572 HH22 ARG 75 HH22 ARG 75 29.737 -0.445 -1.650
573 H TRP 76 H TRP 76 21.265 -0.397 -0.146
574 HA TRP 76 HA TRP 76 20.108 2.294 -0.241
575 HB2 TRP 76 HB2 TRP 76 20.007 0.008 -2.203
576 HB3 TRP 76 HB3 TRP 76 19.110 1.508 -2.408
577 HD1 TRP 76 HD1 TRP 76 22.800 1.101 -1.313
578 HE1 TRP 76 HE1 TRP 76 24.272 2.356 -2.996
579 HE3 TRP 76 HE3 TRP 76 19.173 2.659 -4.546
580 HZ2 TRP 76 HZ2 TRP 76 23.935 3.799 -5.387
581 HZ3 TRP 76 HZ3 TRP 76 19.816 4.009 -6.487
582 HH2 TRP 76 HH2 TRP 76 22.158 4.572 -6.894
583 H THR 77 H THR 77 17.888 2.642 -0.331
584 HA THR 77 HA THR 77 16.315 0.550 1.025
585 HB THR 77 HB THR 77 15.805 3.526 1.127
586 HG1 THR 77 HG1 THR 77 16.999 3.613 2.985
587 HG21 THR 77 HG21 THR 77 13.921 2.062 1.705
588 HG22 THR 77 HG22 THR 77 14.500 2.963 3.104
589 HG23 THR 77 HG23 THR 77 14.922 1.261 2.917
590 H CYS 78 H CYS 78 14.286 0.036 0.206
591 HA CYS 78 HA CYS 78 13.547 1.029 -2.386
592 HB2 CYS 78 HB2 CYS 78 13.022 -1.296 -1.559
593 HB3 CYS 78 HB3 CYS 78 11.851 -0.581 -0.457
594 H CYS 79 H CYS 79 13.076 3.120 -2.429
595 HA CYS 79 HA CYS 79 11.850 4.383 -0.125
596 HB2 CYS 79 HB2 CYS 79 13.706 5.543 -0.817
597 HB3 CYS 79 HB3 CYS 79 13.356 5.330 -2.532
598 H LYS 80 H LYS 80 10.128 5.852 -0.267
599 HA LYS 80 HA LYS 80 8.018 4.815 -1.967
600 HB2 LYS 80 HB2 LYS 80 7.849 5.178 0.542
601 HB3 LYS 80 HB3 LYS 80 7.855 6.901 0.208
602 HG2 LYS 80 HG2 LYS 80 5.830 6.485 -1.255
603 HG3 LYS 80 HG3 LYS 80 5.776 4.872 -0.531
604 HD2 LYS 80 HD2 LYS 80 5.705 7.471 0.995
605 HD3 LYS 80 HD3 LYS 80 4.302 6.469 0.629
606 HE2 LYS 80 HE2 LYS 80 6.677 5.403 2.127
607 HE3 LYS 80 HE3 LYS 80 5.353 6.226 2.947
608 HZ1 LYS 80 HZ1 LYS 80 4.974 3.875 1.235
609 HZ2 LYS 80 HZ2 LYS 80 3.882 4.557 2.231
610 HZ3 LYS 80 HZ3 LYS 80 5.169 3.786 2.851
611 H GLU 81 H GLU 81 8.487 5.714 -3.967
612 HA GLU 81 HA GLU 81 8.205 7.197 -5.658
613 HB2 GLU 81 HB2 GLU 81 6.182 8.287 -3.708
614 HB3 GLU 81 HB3 GLU 81 6.241 8.669 -5.425
615 HG2 GLU 81 HG2 GLU 81 5.778 6.404 -6.017
616 HG3 GLU 81 HG3 GLU 81 5.933 5.883 -4.341
617 H ILE 82 H ILE 82 10.140 8.249 -5.791
618 HA ILE 82 HA ILE 82 10.968 10.403 -4.165
619 HB ILE 82 HB ILE 82 11.820 9.894 -7.020
620 HG12 ILE 82 HG12 ILE 82 12.998 8.772 -4.467
621 HG13 ILE 82 HG13 ILE 82 12.051 7.854 -5.633
622 HG21 ILE 82 HG21 ILE 82 13.214 11.269 -4.725
623 HG22 ILE 82 HG22 ILE 82 12.492 12.060 -6.126
624 HG23 ILE 82 HG23 ILE 82 13.891 11.006 -6.333
625 HD11 ILE 82 HD11 ILE 82 13.773 8.236 -7.325
626 HD12 ILE 82 HD12 ILE 82 14.428 7.429 -5.898
627 HD13 ILE 82 HD13 ILE 82 14.719 9.150 -6.151